# 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_gnarl2 # _entry.id gnarl2 # 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" "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" "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 ALA 2 1 n LYS 3 1 n VAL 4 1 n ILE 5 1 n ILE 6 1 n GLU 7 1 n ILE 8 1 n LYS 9 1 n ASN 10 1 n THR 11 1 n VAL 12 1 n SER 13 1 n GLY 14 1 n ILE 15 1 n LYS 16 1 n GLY 17 1 n ARG 18 1 n ASN 19 1 n LEU 20 1 n ARG 21 1 n THR 22 1 n SER 23 1 n ILE 24 1 n ALA 25 1 n VAL 26 1 n ASP 27 1 n GLY 28 1 n SER 29 1 n ALA 30 1 n GLU 31 1 n LEU 32 1 n ASP 33 1 n GLY 34 1 n ASP 35 1 n GLU 36 1 n GLY 37 1 n THR 38 1 n LEU 39 1 n ALA 40 1 n GLY 41 1 n MET 42 1 n VAL 43 1 n ALA 44 1 n LEU 45 1 n LEU 46 1 n VAL 47 1 n LEU 48 1 n ASN 49 1 n LYS 50 1 n SER 51 1 n GLN 52 1 n LYS 53 1 n ILE 54 1 n ILE 55 1 n ASN 56 1 n GLU 57 1 n SER 58 1 n ALA 59 1 n HIS 60 1 n GLU 61 1 n ALA 62 1 n ILE 63 1 n GLU 64 1 n ILE 65 1 n LEU 66 1 n LYS 67 1 n ASN 68 1 n ASP 69 1 n GLY 70 1 n VAL 71 1 n ILE 72 1 n THR 73 1 n SER 74 1 n GLY 75 1 n ARG 76 1 n VAL 77 1 n THR 78 1 n GLU 79 1 n MET 80 1 n ALA 81 1 n VAL 82 1 n GLU 83 1 n LYS 84 1 n THR 85 1 n CYS 86 1 n HIS 87 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-07 01:04:32)" _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 47.74 _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 31.18 1 1 A ALA 2 2 43.73 1 2 A LYS 3 2 36.64 1 3 A VAL 4 2 41.61 1 4 A ILE 5 2 42.27 1 5 A ILE 6 2 40.42 1 6 A GLU 7 2 38.36 1 7 A ILE 8 2 41.12 1 8 A LYS 9 2 36.80 1 9 A ASN 10 2 40.76 1 10 A THR 11 2 38.43 1 11 A VAL 12 2 39.02 1 12 A SER 13 2 36.54 1 13 A GLY 14 2 36.82 1 14 A ILE 15 2 37.12 1 15 A LYS 16 2 35.87 1 16 A GLY 17 2 41.39 1 17 A ARG 18 2 38.73 1 18 A ASN 19 2 39.67 1 19 A LEU 20 2 38.44 1 20 A ARG 21 2 35.06 1 21 A THR 22 2 38.76 1 22 A SER 23 2 38.64 1 23 A ILE 24 2 38.08 1 24 A ALA 25 2 37.90 1 25 A VAL 26 2 37.21 1 26 A ASP 27 2 34.89 1 27 A GLY 28 2 36.30 1 28 A SER 29 2 35.07 1 29 A ALA 30 2 39.00 1 30 A GLU 31 2 38.00 1 31 A LEU 32 2 41.17 1 32 A ASP 33 2 41.13 1 33 A GLY 34 2 49.95 1 34 A ASP 35 2 50.45 1 35 A GLU 36 2 51.24 1 36 A GLY 37 2 55.56 1 37 A THR 38 2 57.50 1 38 A LEU 39 2 54.26 1 39 A ALA 40 2 59.93 1 40 A GLY 41 2 61.05 1 41 A MET 42 2 58.50 1 42 A VAL 43 2 62.71 1 43 A ALA 44 2 64.85 1 44 A LEU 45 2 66.28 1 45 A LEU 46 2 65.14 1 46 A VAL 47 2 63.95 1 47 A LEU 48 2 62.69 1 48 A ASN 49 2 66.13 1 49 A LYS 50 2 60.46 1 50 A SER 51 2 60.25 1 51 A GLN 52 2 59.99 1 52 A LYS 53 2 62.87 1 53 A ILE 54 2 63.21 1 54 A ILE 55 2 60.26 1 55 A ASN 56 2 62.36 1 56 A GLU 57 2 59.75 1 57 A SER 58 2 60.21 1 58 A ALA 59 2 62.17 1 59 A HIS 60 2 57.96 1 60 A GLU 61 2 56.06 1 61 A ALA 62 2 60.48 1 62 A ILE 63 2 58.32 1 63 A GLU 64 2 54.95 1 64 A ILE 65 2 57.41 1 65 A LEU 66 2 54.55 1 66 A LYS 67 2 53.79 1 67 A ASN 68 2 54.70 1 68 A ASP 69 2 52.32 1 69 A GLY 70 2 55.93 1 70 A VAL 71 2 52.20 1 71 A ILE 72 2 47.80 1 72 A THR 73 2 46.40 1 73 A SER 74 2 42.52 1 74 A GLY 75 2 41.43 1 75 A ARG 76 2 35.04 1 76 A VAL 77 2 39.53 1 77 A THR 78 2 38.69 1 78 A GLU 79 2 33.51 1 79 A MET 80 2 36.00 1 80 A ALA 81 2 41.74 1 81 A VAL 82 2 43.12 1 82 A GLU 83 2 42.35 1 83 A LYS 84 2 43.87 1 84 A THR 85 2 48.51 1 85 A CYS 86 2 46.53 1 86 A HIS 87 2 43.80 1 87 # _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 ALA . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n GLU . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n LYS . 9 A 9 A 10 1 n ASN . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n LYS . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n ARG . 18 A 18 A 19 1 n ASN . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n ARG . 21 A 21 A 22 1 n THR . 22 A 22 A 23 1 n SER . 23 A 23 A 24 1 n ILE . 24 A 24 A 25 1 n ALA . 25 A 25 A 26 1 n VAL . 26 A 26 A 27 1 n ASP . 27 A 27 A 28 1 n GLY . 28 A 28 A 29 1 n SER . 29 A 29 A 30 1 n ALA . 30 A 30 A 31 1 n GLU . 31 A 31 A 32 1 n LEU . 32 A 32 A 33 1 n ASP . 33 A 33 A 34 1 n GLY . 34 A 34 A 35 1 n ASP . 35 A 35 A 36 1 n GLU . 36 A 36 A 37 1 n GLY . 37 A 37 A 38 1 n THR . 38 A 38 A 39 1 n LEU . 39 A 39 A 40 1 n ALA . 40 A 40 A 41 1 n GLY . 41 A 41 A 42 1 n MET . 42 A 42 A 43 1 n VAL . 43 A 43 A 44 1 n ALA . 44 A 44 A 45 1 n LEU . 45 A 45 A 46 1 n LEU . 46 A 46 A 47 1 n VAL . 47 A 47 A 48 1 n LEU . 48 A 48 A 49 1 n ASN . 49 A 49 A 50 1 n LYS . 50 A 50 A 51 1 n SER . 51 A 51 A 52 1 n GLN . 52 A 52 A 53 1 n LYS . 53 A 53 A 54 1 n ILE . 54 A 54 A 55 1 n ILE . 55 A 55 A 56 1 n ASN . 56 A 56 A 57 1 n GLU . 57 A 57 A 58 1 n SER . 58 A 58 A 59 1 n ALA . 59 A 59 A 60 1 n HIS . 60 A 60 A 61 1 n GLU . 61 A 61 A 62 1 n ALA . 62 A 62 A 63 1 n ILE . 63 A 63 A 64 1 n GLU . 64 A 64 A 65 1 n ILE . 65 A 65 A 66 1 n LEU . 66 A 66 A 67 1 n LYS . 67 A 67 A 68 1 n ASN . 68 A 68 A 69 1 n ASP . 69 A 69 A 70 1 n GLY . 70 A 70 A 71 1 n VAL . 71 A 71 A 72 1 n ILE . 72 A 72 A 73 1 n THR . 73 A 73 A 74 1 n SER . 74 A 74 A 75 1 n GLY . 75 A 75 A 76 1 n ARG . 76 A 76 A 77 1 n VAL . 77 A 77 A 78 1 n THR . 78 A 78 A 79 1 n GLU . 79 A 79 A 80 1 n MET . 80 A 80 A 81 1 n ALA . 81 A 81 A 82 1 n VAL . 82 A 82 A 83 1 n GLU . 83 A 83 A 84 1 n LYS . 84 A 84 A 85 1 n THR . 85 A 85 A 86 1 n CYS . 86 A 86 A 87 1 n HIS . 87 A 87 # _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 ? -7.588 -29.894 -9.321 1.00 27.75 1 A 1 ATOM 2 C CA . MET A 1 1 ? -7.936 -28.484 -9.033 1.00 34.59 1 A 1 ATOM 3 C C . MET A 1 1 ? -7.011 -27.990 -7.934 1.00 35.78 1 A 1 ATOM 4 O O . MET A 1 1 ? -7.132 -28.471 -6.816 1.00 35.00 1 A 1 ATOM 5 C CB . MET A 1 1 ? -9.401 -28.342 -8.591 1.00 35.01 1 A 1 ATOM 6 C CG . MET A 1 1 ? -10.381 -28.468 -9.761 1.00 30.45 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.117 -28.461 -9.221 1.00 26.84 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.951 -28.319 -10.825 1.00 23.99 1 A 1 ATOM 9 N N . ALA A 1 2 ? -6.076 -27.116 -8.253 1.00 42.42 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -5.202 -26.509 -7.252 1.00 44.43 2 A 1 ATOM 11 C C . ALA A 1 2 ? -5.846 -25.207 -6.769 1.00 45.36 2 A 1 ATOM 12 O O . ALA A 1 2 ? -6.209 -24.353 -7.574 1.00 43.24 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -3.808 -26.299 -7.851 1.00 43.20 2 A 1 ATOM 14 N N . LYS A 1 3 ? -6.028 -25.078 -5.464 1.00 37.78 3 A 1 ATOM 15 C CA . LYS A 1 3 ? -6.584 -23.878 -4.847 1.00 38.72 3 A 1 ATOM 16 C C . LYS A 1 3 ? -5.427 -23.051 -4.301 1.00 38.59 3 A 1 ATOM 17 O O . LYS A 1 3 ? -4.822 -23.440 -3.307 1.00 38.97 3 A 1 ATOM 18 C CB . LYS A 1 3 ? -7.617 -24.289 -3.785 1.00 40.48 3 A 1 ATOM 19 C CG . LYS A 1 3 ? -8.474 -23.109 -3.295 1.00 36.86 3 A 1 ATOM 20 C CD . LYS A 1 3 ? -9.555 -23.607 -2.320 1.00 35.54 3 A 1 ATOM 21 C CE . LYS A 1 3 ? -10.487 -22.470 -1.909 1.00 32.71 3 A 1 ATOM 22 N NZ . LYS A 1 3 ? -11.565 -22.935 -1.001 1.00 30.09 3 A 1 ATOM 23 N N . VAL A 1 4 ? -5.119 -21.945 -4.951 1.00 43.05 4 A 1 ATOM 24 C CA . VAL A 1 4 ? -4.074 -21.026 -4.488 1.00 43.56 4 A 1 ATOM 25 C C . VAL A 1 4 ? -4.702 -20.035 -3.512 1.00 43.79 4 A 1 ATOM 26 O O . VAL A 1 4 ? -5.623 -19.305 -3.867 1.00 42.89 4 A 1 ATOM 27 C CB . VAL A 1 4 ? -3.377 -20.320 -5.669 1.00 42.14 4 A 1 ATOM 28 C CG1 . VAL A 1 4 ? -2.247 -19.414 -5.172 1.00 38.35 4 A 1 ATOM 29 C CG2 . VAL A 1 4 ? -2.774 -21.344 -6.643 1.00 37.49 4 A 1 ATOM 30 N N . ILE A 1 5 ? -4.236 -20.044 -2.272 1.00 44.16 5 A 1 ATOM 31 C CA . ILE A 1 5 ? -4.646 -19.093 -1.233 1.00 44.53 5 A 1 ATOM 32 C C . ILE A 1 5 ? -3.473 -18.140 -1.013 1.00 44.46 5 A 1 ATOM 33 O O . ILE A 1 5 ? -2.418 -18.558 -0.540 1.00 43.85 5 A 1 ATOM 34 C CB . ILE A 1 5 ? -5.070 -19.814 0.064 1.00 43.85 5 A 1 ATOM 35 C CG1 . ILE A 1 5 ? -6.237 -20.799 -0.204 1.00 40.11 5 A 1 ATOM 36 C CG2 . ILE A 1 5 ? -5.471 -18.775 1.133 1.00 39.90 5 A 1 ATOM 37 C CD1 . ILE A 1 5 ? -6.648 -21.643 1.014 1.00 37.30 5 A 1 ATOM 38 N N . ILE A 1 6 ? -3.650 -16.877 -1.357 1.00 41.02 6 A 1 ATOM 39 C CA . ILE A 1 6 ? -2.646 -15.833 -1.136 1.00 42.06 6 A 1 ATOM 40 C C . ILE A 1 6 ? -3.055 -15.053 0.113 1.00 42.27 6 A 1 ATOM 41 O O . ILE A 1 6 ? -4.053 -14.335 0.111 1.00 41.78 6 A 1 ATOM 42 C CB . ILE A 1 6 ? -2.475 -14.933 -2.384 1.00 41.85 6 A 1 ATOM 43 C CG1 . ILE A 1 6 ? -2.140 -15.782 -3.638 1.00 39.05 6 A 1 ATOM 44 C CG2 . ILE A 1 6 ? -1.378 -13.886 -2.116 1.00 38.53 6 A 1 ATOM 45 C CD1 . ILE A 1 6 ? -2.028 -14.971 -4.940 1.00 36.79 6 A 1 ATOM 46 N N . GLU A 1 7 ? -2.295 -15.217 1.187 1.00 41.12 7 A 1 ATOM 47 C CA . GLU A 1 7 ? -2.506 -14.493 2.440 1.00 42.06 7 A 1 ATOM 48 C C . GLU A 1 7 ? -1.495 -13.342 2.533 1.00 41.78 7 A 1 ATOM 49 O O . GLU A 1 7 ? -0.298 -13.557 2.713 1.00 41.02 7 A 1 ATOM 50 C CB . GLU A 1 7 ? -2.424 -15.473 3.623 1.00 41.66 7 A 1 ATOM 51 C CG . GLU A 1 7 ? -3.021 -14.882 4.914 1.00 37.11 7 A 1 ATOM 52 C CD . GLU A 1 7 ? -2.898 -15.814 6.141 1.00 34.58 7 A 1 ATOM 53 O OE1 . GLU A 1 7 ? -3.075 -15.315 7.275 1.00 32.75 7 A 1 ATOM 54 O OE2 . GLU A 1 7 ? -2.543 -17.002 5.988 1.00 33.15 7 A 1 ATOM 55 N N . ILE A 1 8 ? -1.968 -12.116 2.387 1.00 42.80 8 A 1 ATOM 56 C CA . ILE A 1 8 ? -1.134 -10.914 2.516 1.00 42.88 8 A 1 ATOM 57 C C . ILE A 1 8 ? -1.240 -10.425 3.959 1.00 42.71 8 A 1 ATOM 58 O O . ILE A 1 8 ? -2.248 -9.845 4.361 1.00 41.75 8 A 1 ATOM 59 C CB . ILE A 1 8 ? -1.528 -9.831 1.483 1.00 41.75 8 A 1 ATOM 60 C CG1 . ILE A 1 8 ? -1.476 -10.387 0.038 1.00 39.64 8 A 1 ATOM 61 C CG2 . ILE A 1 8 ? -0.595 -8.611 1.632 1.00 39.67 8 A 1 ATOM 62 C CD1 . ILE A 1 8 ? -1.970 -9.402 -1.032 1.00 37.78 8 A 1 ATOM 63 N N . LYS A 1 9 ? -0.200 -10.663 4.746 1.00 39.85 9 A 1 ATOM 64 C CA . LYS A 1 9 ? -0.094 -10.132 6.109 1.00 39.61 9 A 1 ATOM 65 C C . LYS A 1 9 ? 0.572 -8.764 6.062 1.00 39.15 9 A 1 ATOM 66 O O . LYS A 1 9 ? 1.783 -8.664 5.870 1.00 38.55 9 A 1 ATOM 67 C CB . LYS A 1 9 ? 0.655 -11.108 7.026 1.00 39.83 9 A 1 ATOM 68 C CG . LYS A 1 9 ? -0.195 -12.355 7.301 1.00 36.60 9 A 1 ATOM 69 C CD . LYS A 1 9 ? 0.473 -13.311 8.301 1.00 34.92 9 A 1 ATOM 70 C CE . LYS A 1 9 ? -0.468 -14.514 8.443 1.00 32.45 9 A 1 ATOM 71 N NZ . LYS A 1 9 ? 0.076 -15.594 9.292 1.00 30.28 9 A 1 ATOM 72 N N . ASN A 1 10 ? -0.216 -7.723 6.254 1.00 44.01 10 A 1 ATOM 73 C CA . ASN A 1 10 ? 0.317 -6.375 6.410 1.00 43.18 10 A 1 ATOM 74 C C . ASN A 1 10 ? 0.662 -6.138 7.888 1.00 43.20 10 A 1 ATOM 75 O O . ASN A 1 10 ? -0.222 -5.903 8.712 1.00 42.13 10 A 1 ATOM 76 C CB . ASN A 1 10 ? -0.679 -5.361 5.825 1.00 42.31 10 A 1 ATOM 77 C CG . ASN A 1 10 ? -0.022 -4.016 5.550 1.00 38.75 10 A 1 ATOM 78 O OD1 . ASN A 1 10 ? 1.168 -3.828 5.724 1.00 36.52 10 A 1 ATOM 79 N ND2 . ASN A 1 10 ? -0.785 -3.053 5.083 1.00 35.95 10 A 1 ATOM 80 N N . THR A 1 11 ? 1.925 -6.251 8.234 1.00 41.58 11 A 1 ATOM 81 C CA . THR A 1 11 ? 2.401 -5.993 9.598 1.00 41.14 11 A 1 ATOM 82 C C . THR A 1 11 ? 2.715 -4.506 9.735 1.00 41.22 11 A 1 ATOM 83 O O . THR A 1 11 ? 3.869 -4.091 9.664 1.00 38.86 11 A 1 ATOM 84 C CB . THR A 1 11 ? 3.603 -6.882 9.969 1.00 38.24 11 A 1 ATOM 85 O OG1 . THR A 1 11 ? 3.396 -8.210 9.538 1.00 34.51 11 A 1 ATOM 86 C CG2 . THR A 1 11 ? 3.814 -6.936 11.480 1.00 33.46 11 A 1 ATOM 87 N N . VAL A 1 12 ? 1.687 -3.687 9.910 1.00 40.74 12 A 1 ATOM 88 C CA . VAL A 1 12 ? 1.890 -2.286 10.290 1.00 40.86 12 A 1 ATOM 89 C C . VAL A 1 12 ? 2.126 -2.239 11.798 1.00 41.14 12 A 1 ATOM 90 O O . VAL A 1 12 ? 1.194 -2.276 12.601 1.00 39.65 12 A 1 ATOM 91 C CB . VAL A 1 12 ? 0.736 -1.370 9.839 1.00 39.07 12 A 1 ATOM 92 C CG1 . VAL A 1 12 ? 1.099 0.097 10.089 1.00 36.03 12 A 1 ATOM 93 C CG2 . VAL A 1 12 ? 0.449 -1.523 8.342 1.00 35.68 12 A 1 ATOM 94 N N . SER A 1 13 ? 3.381 -2.195 12.186 1.00 37.39 13 A 1 ATOM 95 C CA . SER A 1 13 ? 3.761 -1.949 13.571 1.00 37.96 13 A 1 ATOM 96 C C . SER A 1 13 ? 3.340 -0.529 13.964 1.00 38.52 13 A 1 ATOM 97 O O . SER A 1 13 ? 3.885 0.438 13.439 1.00 36.96 13 A 1 ATOM 98 C CB . SER A 1 13 ? 5.274 -2.135 13.726 1.00 36.17 13 A 1 ATOM 99 O OG . SER A 1 13 ? 5.646 -1.976 15.083 1.00 32.21 13 A 1 ATOM 100 N N . GLY A 1 14 ? 2.376 -0.411 14.866 1.00 36.78 14 A 1 ATOM 101 C CA . GLY A 1 14 ? 2.107 0.849 15.564 1.00 37.56 14 A 1 ATOM 102 C C . GLY A 1 14 ? 0.682 1.393 15.513 1.00 37.58 14 A 1 ATOM 103 O O . GLY A 1 14 ? 0.359 2.239 16.348 1.00 35.37 14 A 1 ATOM 104 N N . ILE A 1 15 ? -0.196 0.925 14.625 1.00 39.00 15 A 1 ATOM 105 C CA . ILE A 1 15 ? -1.586 1.399 14.608 1.00 39.73 15 A 1 ATOM 106 C C . ILE A 1 15 ? -2.502 0.332 15.199 1.00 39.95 15 A 1 ATOM 107 O O . ILE A 1 15 ? -2.921 -0.625 14.545 1.00 37.97 15 A 1 ATOM 108 C CB . ILE A 1 15 ? -2.017 1.927 13.226 1.00 37.76 15 A 1 ATOM 109 C CG1 . ILE A 1 15 ? -0.995 2.976 12.717 1.00 34.51 15 A 1 ATOM 110 C CG2 . ILE A 1 15 ? -3.427 2.548 13.348 1.00 34.81 15 A 1 ATOM 111 C CD1 . ILE A 1 15 ? -1.314 3.557 11.335 1.00 33.23 15 A 1 ATOM 112 N N . LYS A 1 16 ? -2.818 0.505 16.458 1.00 39.09 16 A 1 ATOM 113 C CA . LYS A 1 16 ? -3.773 -0.324 17.180 1.00 39.98 16 A 1 ATOM 114 C C . LYS A 1 16 ? -5.160 -0.131 16.559 1.00 39.98 16 A 1 ATOM 115 O O . LYS A 1 16 ? -5.795 0.891 16.795 1.00 38.56 16 A 1 ATOM 116 C CB . LYS A 1 16 ? -3.703 0.081 18.673 1.00 39.57 16 A 1 ATOM 117 C CG . LYS A 1 16 ? -4.257 -0.963 19.648 1.00 35.05 16 A 1 ATOM 118 C CD . LYS A 1 16 ? -4.078 -0.469 21.095 1.00 32.64 16 A 1 ATOM 119 C CE . LYS A 1 16 ? -4.459 -1.542 22.114 1.00 30.13 16 A 1 ATOM 120 N NZ . LYS A 1 16 ? -4.287 -1.067 23.515 1.00 27.83 16 A 1 ATOM 121 N N . GLY A 1 17 ? -5.638 -1.124 15.809 1.00 41.08 17 A 1 ATOM 122 C CA . GLY A 1 17 ? -7.090 -1.301 15.668 1.00 41.49 17 A 1 ATOM 123 C C . GLY A 1 17 ? -7.751 -1.207 14.305 1.00 42.45 17 A 1 ATOM 124 O O . GLY A 1 17 ? -8.976 -1.085 14.284 1.00 40.53 17 A 1 ATOM 125 N N . ARG A 1 18 ? -7.064 -1.334 13.173 1.00 43.42 18 A 1 ATOM 126 C CA . ARG A 1 18 ? -7.758 -1.586 11.898 1.00 44.90 18 A 1 ATOM 127 C C . ARG A 1 18 ? -7.130 -2.772 11.171 1.00 45.91 18 A 1 ATOM 128 O O . ARG A 1 18 ? -6.147 -2.637 10.468 1.00 43.76 18 A 1 ATOM 129 C CB . ARG A 1 18 ? -7.861 -0.322 11.026 1.00 43.69 18 A 1 ATOM 130 C CG . ARG A 1 18 ? -8.766 0.746 11.656 1.00 39.88 18 A 1 ATOM 131 C CD . ARG A 1 18 ? -9.064 1.877 10.669 1.00 37.42 18 A 1 ATOM 132 N NE . ARG A 1 18 ? -9.379 3.145 11.358 1.00 34.29 18 A 1 ATOM 133 C CZ . ARG A 1 18 ? -9.451 4.339 10.785 1.00 32.12 18 A 1 ATOM 134 N NH1 . ARG A 1 18 ? -9.391 4.491 9.487 1.00 30.65 18 A 1 ATOM 135 N NH2 . ARG A 1 18 ? -9.565 5.416 11.515 1.00 29.95 18 A 1 ATOM 136 N N . ASN A 1 19 ? -7.748 -3.929 11.348 1.00 41.35 19 A 1 ATOM 137 C CA . ASN A 1 19 ? -7.542 -5.061 10.451 1.00 42.29 19 A 1 ATOM 138 C C . ASN A 1 19 ? -8.096 -4.666 9.081 1.00 43.32 19 A 1 ATOM 139 O O . ASN A 1 19 ? -9.294 -4.800 8.827 1.00 42.08 19 A 1 ATOM 140 C CB . ASN A 1 19 ? -8.245 -6.315 11.008 1.00 41.62 19 A 1 ATOM 141 C CG . ASN A 1 19 ? -7.432 -7.053 12.061 1.00 37.54 19 A 1 ATOM 142 O OD1 . ASN A 1 19 ? -6.222 -7.000 12.103 1.00 34.98 19 A 1 ATOM 143 N ND2 . ASN A 1 19 ? -8.087 -7.793 12.929 1.00 34.20 19 A 1 ATOM 144 N N . LEU A 1 20 ? -7.248 -4.153 8.205 1.00 40.71 20 A 1 ATOM 145 C CA . LEU A 1 20 ? -7.599 -3.916 6.816 1.00 40.86 20 A 1 ATOM 146 C C . LEU A 1 20 ? -7.693 -5.277 6.119 1.00 41.24 20 A 1 ATOM 147 O O . LEU A 1 20 ? -6.722 -5.797 5.571 1.00 39.73 20 A 1 ATOM 148 C CB . LEU A 1 20 ? -6.595 -2.941 6.161 1.00 39.60 20 A 1 ATOM 149 C CG . LEU A 1 20 ? -7.304 -1.835 5.358 1.00 36.75 20 A 1 ATOM 150 C CD1 . LEU A 1 20 ? -7.566 -0.623 6.248 1.00 34.33 20 A 1 ATOM 151 C CD2 . LEU A 1 20 ? -6.465 -1.387 4.165 1.00 34.27 20 A 1 ATOM 152 N N . ARG A 1 21 ? -8.867 -5.885 6.194 1.00 40.18 21 A 1 ATOM 153 C CA . ARG A 1 21 ? -9.156 -7.126 5.479 1.00 40.18 21 A 1 ATOM 154 C C . ARG A 1 21 ? -9.578 -6.759 4.061 1.00 40.89 21 A 1 ATOM 155 O O . ARG A 1 21 ? -10.760 -6.644 3.773 1.00 40.40 21 A 1 ATOM 156 C CB . ARG A 1 21 ? -10.184 -7.948 6.270 1.00 39.25 21 A 1 ATOM 157 C CG . ARG A 1 21 ? -10.219 -9.407 5.796 1.00 35.82 21 A 1 ATOM 158 C CD . ARG A 1 21 ? -11.226 -10.202 6.634 1.00 33.87 21 A 1 ATOM 159 N NE . ARG A 1 21 ? -11.156 -11.647 6.343 1.00 31.22 21 A 1 ATOM 160 C CZ . ARG A 1 21 ? -11.941 -12.582 6.864 1.00 29.47 21 A 1 ATOM 161 N NH1 . ARG A 1 21 ? -12.906 -12.282 7.692 1.00 27.69 21 A 1 ATOM 162 N NH2 . ARG A 1 21 ? -11.763 -13.836 6.554 1.00 26.69 21 A 1 ATOM 163 N N . THR A 1 22 ? -8.613 -6.559 3.188 1.00 40.28 22 A 1 ATOM 164 C CA . THR A 1 22 ? -8.883 -6.340 1.766 1.00 40.64 22 A 1 ATOM 165 C C . THR A 1 22 ? -9.233 -7.681 1.131 1.00 41.12 22 A 1 ATOM 166 O O . THR A 1 22 ? -8.360 -8.444 0.731 1.00 39.83 22 A 1 ATOM 167 C CB . THR A 1 22 ? -7.706 -5.650 1.059 1.00 38.66 22 A 1 ATOM 168 O OG1 . THR A 1 22 ? -7.287 -4.535 1.814 1.00 35.99 22 A 1 ATOM 169 C CG2 . THR A 1 22 ? -8.110 -5.124 -0.320 1.00 34.77 22 A 1 ATOM 170 N N . SER A 1 23 ? -10.523 -7.990 1.064 1.00 40.05 23 A 1 ATOM 171 C CA . SER A 1 23 ? -11.016 -9.119 0.280 1.00 39.98 23 A 1 ATOM 172 C C . SER A 1 23 ? -11.059 -8.689 -1.184 1.00 39.77 23 A 1 ATOM 173 O O . SER A 1 23 ? -11.925 -7.913 -1.578 1.00 38.33 23 A 1 ATOM 174 C CB . SER A 1 23 ? -12.401 -9.558 0.763 1.00 38.40 23 A 1 ATOM 175 O OG . SER A 1 23 ? -12.361 -9.925 2.134 1.00 35.30 23 A 1 ATOM 176 N N . ILE A 1 24 ? -10.123 -9.168 -1.982 1.00 39.31 24 A 1 ATOM 177 C CA . ILE A 1 24 ? -10.196 -9.017 -3.437 1.00 39.46 24 A 1 ATOM 178 C C . ILE A 1 24 ? -11.084 -10.155 -3.946 1.00 39.11 24 A 1 ATOM 179 O O . ILE A 1 24 ? -10.625 -11.281 -4.101 1.00 38.36 24 A 1 ATOM 180 C CB . ILE A 1 24 ? -8.790 -8.992 -4.078 1.00 38.97 24 A 1 ATOM 181 C CG1 . ILE A 1 24 ? -7.920 -7.872 -3.450 1.00 37.15 24 A 1 ATOM 182 C CG2 . ILE A 1 24 ? -8.926 -8.783 -5.603 1.00 36.77 24 A 1 ATOM 183 C CD1 . ILE A 1 24 ? -6.471 -7.840 -3.958 1.00 35.50 24 A 1 ATOM 184 N N . ALA A 1 25 ? -12.358 -9.865 -4.162 1.00 38.96 25 A 1 ATOM 185 C CA . ALA A 1 25 ? -13.216 -10.742 -4.942 1.00 38.44 25 A 1 ATOM 186 C C . ALA A 1 25 ? -12.842 -10.553 -6.413 1.00 38.67 25 A 1 ATOM 187 O O . ALA A 1 25 ? -13.122 -9.514 -7.004 1.00 36.95 25 A 1 ATOM 188 C CB . ALA A 1 25 ? -14.687 -10.424 -4.644 1.00 36.47 25 A 1 ATOM 189 N N . VAL A 1 26 ? -12.148 -11.534 -6.976 1.00 39.06 26 A 1 ATOM 190 C CA . VAL A 1 26 ? -11.960 -11.620 -8.422 1.00 38.95 26 A 1 ATOM 191 C C . VAL A 1 26 ? -13.201 -12.316 -8.974 1.00 39.45 26 A 1 ATOM 192 O O . VAL A 1 26 ? -13.215 -13.526 -9.154 1.00 37.78 26 A 1 ATOM 193 C CB . VAL A 1 26 ? -10.642 -12.327 -8.797 1.00 36.92 26 A 1 ATOM 194 C CG1 . VAL A 1 26 ? -10.416 -12.294 -10.312 1.00 34.44 26 A 1 ATOM 195 C CG2 . VAL A 1 26 ? -9.439 -11.650 -8.130 1.00 33.88 26 A 1 ATOM 196 N N . ASP A 1 27 ? -14.269 -11.549 -9.177 1.00 37.27 27 A 1 ATOM 197 C CA . ASP A 1 27 ? -15.387 -12.008 -9.994 1.00 37.74 27 A 1 ATOM 198 C C . ASP A 1 27 ? -14.965 -11.913 -11.457 1.00 37.98 27 A 1 ATOM 199 O O . ASP A 1 27 ? -14.914 -10.837 -12.056 1.00 36.04 27 A 1 ATOM 200 C CB . ASP A 1 27 ? -16.677 -11.213 -9.710 1.00 36.31 27 A 1 ATOM 201 C CG . ASP A 1 27 ? -17.631 -11.915 -8.735 1.00 33.18 27 A 1 ATOM 202 O OD1 . ASP A 1 27 ? -17.621 -13.168 -8.686 1.00 30.50 27 A 1 ATOM 203 O OD2 . ASP A 1 27 ? -18.398 -11.188 -8.066 1.00 30.08 27 A 1 ATOM 204 N N . GLY A 1 28 ? -14.621 -13.044 -12.000 1.00 36.50 28 A 1 ATOM 205 C CA . GLY A 1 28 ? -14.199 -13.183 -13.383 1.00 36.60 28 A 1 ATOM 206 C C . GLY A 1 28 ? -13.339 -14.419 -13.527 1.00 37.08 28 A 1 ATOM 207 O O . GLY A 1 28 ? -12.117 -14.335 -13.504 1.00 35.03 28 A 1 ATOM 208 N N . SER A 1 29 ? -13.980 -15.566 -13.707 1.00 36.05 29 A 1 ATOM 209 C CA . SER A 1 29 ? -13.318 -16.742 -14.253 1.00 36.41 29 A 1 ATOM 210 C C . SER A 1 29 ? -12.956 -16.443 -15.709 1.00 36.97 29 A 1 ATOM 211 O O . SER A 1 29 ? -13.630 -16.878 -16.634 1.00 35.56 29 A 1 ATOM 212 C CB . SER A 1 29 ? -14.225 -17.972 -14.130 1.00 34.43 29 A 1 ATOM 213 O OG . SER A 1 29 ? -15.457 -17.737 -14.775 1.00 31.02 29 A 1 ATOM 214 N N . ALA A 1 30 ? -11.948 -15.626 -15.922 1.00 38.61 30 A 1 ATOM 215 C CA . ALA A 1 30 ? -11.232 -15.673 -17.174 1.00 39.55 30 A 1 ATOM 216 C C . ALA A 1 30 ? -10.451 -16.989 -17.142 1.00 40.48 30 A 1 ATOM 217 O O . ALA A 1 30 ? -9.507 -17.130 -16.361 1.00 38.81 30 A 1 ATOM 218 C CB . ALA A 1 30 ? -10.351 -14.426 -17.316 1.00 37.57 30 A 1 ATOM 219 N N . GLU A 1 31 ? -10.885 -17.947 -17.936 1.00 40.29 31 A 1 ATOM 220 C CA . GLU A 1 31 ? -10.023 -19.054 -18.341 1.00 41.57 31 A 1 ATOM 221 C C . GLU A 1 31 ? -8.836 -18.427 -19.076 1.00 42.13 31 A 1 ATOM 222 O O . GLU A 1 31 ? -8.857 -18.195 -20.277 1.00 41.04 31 A 1 ATOM 223 C CB . GLU A 1 31 ? -10.790 -20.065 -19.214 1.00 40.82 31 A 1 ATOM 224 C CG . GLU A 1 31 ? -11.716 -20.964 -18.380 1.00 36.46 31 A 1 ATOM 225 C CD . GLU A 1 31 ? -12.495 -21.992 -19.219 1.00 34.13 31 A 1 ATOM 226 O OE1 . GLU A 1 31 ? -12.802 -23.075 -18.664 1.00 32.20 31 A 1 ATOM 227 O OE2 . GLU A 1 31 ? -12.848 -21.674 -20.375 1.00 33.36 31 A 1 ATOM 228 N N . LEU A 1 32 ? -7.837 -18.038 -18.317 1.00 42.54 32 A 1 ATOM 229 C CA . LEU A 1 32 ? -6.548 -17.644 -18.853 1.00 43.48 32 A 1 ATOM 230 C C . LEU A 1 32 ? -5.821 -18.944 -19.177 1.00 43.40 32 A 1 ATOM 231 O O . LEU A 1 32 ? -5.140 -19.518 -18.330 1.00 41.49 32 A 1 ATOM 232 C CB . LEU A 1 32 ? -5.801 -16.750 -17.852 1.00 42.27 32 A 1 ATOM 233 C CG . LEU A 1 32 ? -6.358 -15.311 -17.784 1.00 40.40 32 A 1 ATOM 234 C CD1 . LEU A 1 32 ? -5.818 -14.598 -16.542 1.00 37.79 32 A 1 ATOM 235 C CD2 . LEU A 1 32 ? -5.967 -14.481 -19.006 1.00 37.98 32 A 1 ATOM 236 N N . ASP A 1 33 ? -6.019 -19.379 -20.404 1.00 43.41 33 A 1 ATOM 237 C CA . ASP A 1 33 ? -5.231 -20.432 -21.033 1.00 44.10 33 A 1 ATOM 238 C C . ASP A 1 33 ? -3.830 -19.861 -21.310 1.00 44.23 33 A 1 ATOM 239 O O . ASP A 1 33 ? -3.482 -19.439 -22.409 1.00 42.58 33 A 1 ATOM 240 C CB . ASP A 1 33 ? -5.990 -20.931 -22.277 1.00 43.26 33 A 1 ATOM 241 C CG . ASP A 1 33 ? -5.673 -22.380 -22.670 1.00 39.27 33 A 1 ATOM 242 O OD1 . ASP A 1 33 ? -5.090 -23.113 -21.837 1.00 36.33 33 A 1 ATOM 243 O OD2 . ASP A 1 33 ? -6.079 -22.762 -23.790 1.00 35.84 33 A 1 ATOM 244 N N . GLY A 1 34 ? -3.077 -19.708 -20.252 1.00 50.09 34 A 1 ATOM 245 C CA . GLY A 1 34 ? -1.741 -19.131 -20.253 1.00 50.36 34 A 1 ATOM 246 C C . GLY A 1 34 ? -0.862 -19.863 -19.251 1.00 51.02 34 A 1 ATOM 247 O O . GLY A 1 34 ? -1.329 -20.264 -18.184 1.00 48.34 34 A 1 ATOM 248 N N . ASP A 1 35 ? 0.411 -19.999 -19.591 1.00 52.03 35 A 1 ATOM 249 C CA . ASP A 1 35 ? 1.404 -20.633 -18.730 1.00 53.49 35 A 1 ATOM 250 C C . ASP A 1 35 ? 1.332 -20.089 -17.296 1.00 54.19 35 A 1 ATOM 251 O O . ASP A 1 35 ? 1.171 -18.882 -17.079 1.00 52.94 35 A 1 ATOM 252 C CB . ASP A 1 35 ? 2.818 -20.409 -19.301 1.00 52.87 35 A 1 ATOM 253 C CG . ASP A 1 35 ? 3.179 -21.367 -20.437 1.00 48.11 35 A 1 ATOM 254 O OD1 . ASP A 1 35 ? 2.835 -22.564 -20.308 1.00 45.34 35 A 1 ATOM 255 O OD2 . ASP A 1 35 ? 3.844 -20.906 -21.391 1.00 44.60 35 A 1 ATOM 256 N N . GLU A 1 36 ? 1.515 -20.969 -16.315 1.00 53.38 36 A 1 ATOM 257 C CA . GLU A 1 36 ? 1.463 -20.640 -14.876 1.00 54.98 36 A 1 ATOM 258 C C . GLU A 1 36 ? 2.313 -19.402 -14.518 1.00 55.77 36 A 1 ATOM 259 O O . GLU A 1 36 ? 1.937 -18.608 -13.649 1.00 53.72 36 A 1 ATOM 260 C CB . GLU A 1 36 ? 1.953 -21.849 -14.055 1.00 54.95 36 A 1 ATOM 261 C CG . GLU A 1 36 ? 0.981 -23.045 -14.070 1.00 49.83 36 A 1 ATOM 262 C CD . GLU A 1 36 ? 1.440 -24.202 -13.160 1.00 47.58 36 A 1 ATOM 263 O OE1 . GLU A 1 36 ? 0.561 -24.920 -12.631 1.00 45.20 36 A 1 ATOM 264 O OE2 . GLU A 1 36 ? 2.668 -24.370 -12.984 1.00 45.77 36 A 1 ATOM 265 N N . GLY A 1 37 ? 3.406 -19.185 -15.232 1.00 56.57 37 A 1 ATOM 266 C CA . GLY A 1 37 ? 4.262 -18.005 -15.091 1.00 56.09 37 A 1 ATOM 267 C C . GLY A 1 37 ? 3.582 -16.688 -15.482 1.00 56.20 37 A 1 ATOM 268 O O . GLY A 1 37 ? 3.792 -15.669 -14.819 1.00 53.37 37 A 1 ATOM 269 N N . THR A 1 38 ? 2.727 -16.706 -16.502 1.00 57.78 38 A 1 ATOM 270 C CA . THR A 1 38 ? 1.978 -15.521 -16.945 1.00 59.49 38 A 1 ATOM 271 C C . THR A 1 38 ? 0.896 -15.155 -15.934 1.00 59.41 38 A 1 ATOM 272 O O . THR A 1 38 ? 0.746 -13.983 -15.580 1.00 58.65 38 A 1 ATOM 273 C CB . THR A 1 38 ? 1.358 -15.752 -18.332 1.00 59.04 38 A 1 ATOM 274 O OG1 . THR A 1 38 ? 2.357 -16.193 -19.228 1.00 53.62 38 A 1 ATOM 275 C CG2 . THR A 1 38 ? 0.770 -14.478 -18.926 1.00 54.49 38 A 1 ATOM 276 N N . LEU A 1 39 ? 0.199 -16.160 -15.408 1.00 56.73 39 A 1 ATOM 277 C CA . LEU A 1 39 ? -0.801 -15.966 -14.360 1.00 57.77 39 A 1 ATOM 278 C C . LEU A 1 39 ? -0.163 -15.428 -13.072 1.00 58.30 39 A 1 ATOM 279 O O . LEU A 1 39 ? -0.658 -14.464 -12.490 1.00 56.64 39 A 1 ATOM 280 C CB . LEU A 1 39 ? -1.529 -17.302 -14.127 1.00 56.06 39 A 1 ATOM 281 C CG . LEU A 1 39 ? -2.824 -17.146 -13.310 1.00 51.74 39 A 1 ATOM 282 C CD1 . LEU A 1 39 ? -3.943 -16.534 -14.147 1.00 48.81 39 A 1 ATOM 283 C CD2 . LEU A 1 39 ? -3.295 -18.508 -12.811 1.00 48.01 39 A 1 ATOM 284 N N . ALA A 1 40 ? 0.967 -15.997 -12.668 1.00 60.12 40 A 1 ATOM 285 C CA . ALA A 1 40 ? 1.725 -15.531 -11.509 1.00 60.50 40 A 1 ATOM 286 C C . ALA A 1 40 ? 2.222 -14.084 -11.690 1.00 60.65 40 A 1 ATOM 287 O O . ALA A 1 40 ? 2.102 -13.273 -10.769 1.00 58.27 40 A 1 ATOM 288 C CB . ALA A 1 40 ? 2.888 -16.503 -11.264 1.00 60.12 40 A 1 ATOM 289 N N . GLY A 1 41 ? 2.706 -13.746 -12.885 1.00 60.30 41 A 1 ATOM 290 C CA . GLY A 1 41 ? 3.130 -12.386 -13.226 1.00 60.95 41 A 1 ATOM 291 C C . GLY A 1 41 ? 1.981 -11.371 -13.176 1.00 61.91 41 A 1 ATOM 292 O O . GLY A 1 41 ? 2.132 -10.295 -12.595 1.00 61.02 41 A 1 ATOM 293 N N . MET A 1 42 ? 0.816 -11.730 -13.713 1.00 60.93 42 A 1 ATOM 294 C CA . MET A 1 42 ? -0.374 -10.874 -13.665 1.00 62.68 42 A 1 ATOM 295 C C . MET A 1 42 ? -0.895 -10.677 -12.240 1.00 63.08 42 A 1 ATOM 296 O O . MET A 1 42 ? -1.236 -9.553 -11.865 1.00 62.56 42 A 1 ATOM 297 C CB . MET A 1 42 ? -1.479 -11.456 -14.550 1.00 61.09 42 A 1 ATOM 298 C CG . MET A 1 42 ? -1.188 -11.250 -16.036 1.00 56.06 42 A 1 ATOM 299 S SD . MET A 1 42 ? -2.506 -11.845 -17.134 1.00 53.19 42 A 1 ATOM 300 C CE . MET A 1 42 ? -3.834 -10.663 -16.759 1.00 48.43 42 A 1 ATOM 301 N N . VAL A 1 43 ? -0.916 -11.740 -11.436 1.00 64.45 43 A 1 ATOM 302 C CA . VAL A 1 43 ? -1.300 -11.650 -10.019 1.00 64.93 43 A 1 ATOM 303 C C . VAL A 1 43 ? -0.300 -10.789 -9.243 1.00 66.11 43 A 1 ATOM 304 O O . VAL A 1 43 ? -0.716 -9.918 -8.479 1.00 63.97 43 A 1 ATOM 305 C CB . VAL A 1 43 ? -1.449 -13.053 -9.399 1.00 63.11 43 A 1 ATOM 306 C CG1 . VAL A 1 43 ? -1.660 -12.998 -7.880 1.00 58.19 43 A 1 ATOM 307 C CG2 . VAL A 1 43 ? -2.667 -13.775 -9.991 1.00 58.20 43 A 1 ATOM 308 N N . ALA A 1 44 ? 0.992 -10.967 -9.475 1.00 64.20 44 A 1 ATOM 309 C CA . ALA A 1 44 ? 2.029 -10.151 -8.845 1.00 65.64 44 A 1 ATOM 310 C C . ALA A 1 44 ? 1.891 -8.663 -9.214 1.00 66.00 44 A 1 ATOM 311 O O . ALA A 1 44 ? 1.931 -7.809 -8.329 1.00 63.68 44 A 1 ATOM 312 C CB . ALA A 1 44 ? 3.406 -10.704 -9.234 1.00 64.75 44 A 1 ATOM 313 N N . LEU A 1 45 ? 1.643 -8.356 -10.493 1.00 69.06 45 A 1 ATOM 314 C CA . LEU A 1 45 ? 1.388 -6.990 -10.954 1.00 70.01 45 A 1 ATOM 315 C C . LEU A 1 45 ? 0.126 -6.393 -10.327 1.00 68.05 45 A 1 ATOM 316 O O . LEU A 1 45 ? 0.147 -5.240 -9.897 1.00 66.57 45 A 1 ATOM 317 C CB . LEU A 1 45 ? 1.276 -6.986 -12.490 1.00 69.82 45 A 1 ATOM 318 C CG . LEU A 1 45 ? 2.637 -6.906 -13.199 1.00 63.73 45 A 1 ATOM 319 C CD1 . LEU A 1 45 ? 2.505 -7.357 -14.650 1.00 60.57 45 A 1 ATOM 320 C CD2 . LEU A 1 45 ? 3.169 -5.472 -13.188 1.00 62.47 45 A 1 ATOM 321 N N . LEU A 1 46 ? -0.953 -7.171 -10.228 1.00 70.52 46 A 1 ATOM 322 C CA . LEU A 1 46 ? -2.195 -6.726 -9.600 1.00 69.47 46 A 1 ATOM 323 C C . LEU A 1 46 ? -1.993 -6.419 -8.112 1.00 69.67 46 A 1 ATOM 324 O O . LEU A 1 46 ? -2.447 -5.382 -7.628 1.00 67.79 46 A 1 ATOM 325 C CB . LEU A 1 46 ? -3.270 -7.808 -9.813 1.00 67.62 46 A 1 ATOM 326 C CG . LEU A 1 46 ? -4.686 -7.343 -9.419 1.00 61.11 46 A 1 ATOM 327 C CD1 . LEU A 1 46 ? -5.269 -6.387 -10.459 1.00 56.77 46 A 1 ATOM 328 C CD2 . LEU A 1 46 ? -5.617 -8.544 -9.287 1.00 58.17 46 A 1 ATOM 329 N N . VAL A 1 47 ? -1.282 -7.298 -7.401 1.00 66.92 47 A 1 ATOM 330 C CA . VAL A 1 47 ? -0.926 -7.110 -5.989 1.00 66.98 47 A 1 ATOM 331 C C . VAL A 1 47 ? -0.027 -5.888 -5.816 1.00 67.22 47 A 1 ATOM 332 O O . VAL A 1 47 ? -0.286 -5.071 -4.936 1.00 64.85 47 A 1 ATOM 333 C CB . VAL A 1 47 ? -0.263 -8.379 -5.421 1.00 64.40 47 A 1 ATOM 334 C CG1 . VAL A 1 47 ? 0.334 -8.157 -4.026 1.00 58.90 47 A 1 ATOM 335 C CG2 . VAL A 1 47 ? -1.292 -9.510 -5.300 1.00 58.35 47 A 1 ATOM 336 N N . LEU A 1 48 ? 0.971 -5.719 -6.674 1.00 66.12 48 A 1 ATOM 337 C CA . LEU A 1 48 ? 1.868 -4.563 -6.644 1.00 66.70 48 A 1 ATOM 338 C C . LEU A 1 48 ? 1.094 -3.258 -6.856 1.00 65.92 48 A 1 ATOM 339 O O . LEU A 1 48 ? 1.225 -2.325 -6.069 1.00 65.06 48 A 1 ATOM 340 C CB . LEU A 1 48 ? 2.973 -4.721 -7.711 1.00 66.01 48 A 1 ATOM 341 C CG . LEU A 1 48 ? 4.342 -4.223 -7.209 1.00 59.35 48 A 1 ATOM 342 C CD1 . LEU A 1 48 ? 5.159 -5.399 -6.663 1.00 55.71 48 A 1 ATOM 343 C CD2 . LEU A 1 48 ? 5.137 -3.569 -8.336 1.00 56.68 48 A 1 ATOM 344 N N . ASN A 1 49 ? 0.231 -3.219 -7.868 1.00 69.15 49 A 1 ATOM 345 C CA . ASN A 1 49 ? -0.547 -2.029 -8.216 1.00 69.60 49 A 1 ATOM 346 C C . ASN A 1 49 ? -1.554 -1.659 -7.112 1.00 66.44 49 A 1 ATOM 347 O O . ASN A 1 49 ? -1.704 -0.493 -6.751 1.00 65.59 49 A 1 ATOM 348 C CB . ASN A 1 49 ? -1.223 -2.291 -9.574 1.00 69.80 49 A 1 ATOM 349 C CG . ASN A 1 49 ? -1.290 -1.063 -10.460 1.00 64.77 49 A 1 ATOM 350 O OD1 . ASN A 1 49 ? -1.240 0.071 -10.031 1.00 62.48 49 A 1 ATOM 351 N ND2 . ASN A 1 49 ? -1.393 -1.261 -11.758 1.00 61.25 49 A 1 ATOM 352 N N . LYS A 1 50 ? -2.202 -2.663 -6.518 1.00 67.18 50 A 1 ATOM 353 C CA . LYS A 1 50 ? -3.093 -2.463 -5.367 1.00 66.61 50 A 1 ATOM 354 C C . LYS A 1 50 ? -2.330 -2.016 -4.122 1.00 65.54 50 A 1 ATOM 355 O O . LYS A 1 50 ? -2.773 -1.089 -3.452 1.00 63.03 50 A 1 ATOM 356 C CB . LYS A 1 50 ? -3.901 -3.741 -5.087 1.00 64.75 50 A 1 ATOM 357 C CG . LYS A 1 50 ? -5.030 -3.980 -6.106 1.00 58.72 50 A 1 ATOM 358 C CD . LYS A 1 50 ? -6.184 -2.988 -5.939 1.00 57.63 50 A 1 ATOM 359 C CE . LYS A 1 50 ? -7.310 -3.332 -6.919 1.00 52.29 50 A 1 ATOM 360 N NZ . LYS A 1 50 ? -8.475 -2.431 -6.765 1.00 48.42 50 A 1 ATOM 361 N N . SER A 1 51 ? -1.181 -2.611 -3.848 1.00 62.93 51 A 1 ATOM 362 C CA . SER A 1 51 ? -0.327 -2.222 -2.726 1.00 62.12 51 A 1 ATOM 363 C C . SER A 1 51 ? 0.170 -0.787 -2.890 1.00 61.56 51 A 1 ATOM 364 O O . SER A 1 51 ? 0.112 -0.007 -1.948 1.00 59.92 51 A 1 ATOM 365 C CB . SER A 1 51 ? 0.868 -3.170 -2.592 1.00 60.55 51 A 1 ATOM 366 O OG . SER A 1 51 ? 0.419 -4.495 -2.386 1.00 54.44 51 A 1 ATOM 367 N N . GLN A 1 52 ? 0.563 -0.403 -4.095 1.00 61.92 52 A 1 ATOM 368 C CA . GLN A 1 52 ? 1.013 0.952 -4.399 1.00 64.34 52 A 1 ATOM 369 C C . GLN A 1 52 ? -0.116 1.974 -4.255 1.00 63.69 52 A 1 ATOM 370 O O . GLN A 1 52 ? 0.096 3.059 -3.712 1.00 61.97 52 A 1 ATOM 371 C CB . GLN A 1 52 ? 1.634 0.942 -5.800 1.00 64.49 52 A 1 ATOM 372 C CG . GLN A 1 52 ? 2.559 2.141 -6.040 1.00 59.43 52 A 1 ATOM 373 C CD . GLN A 1 52 ? 3.548 1.872 -7.179 1.00 57.40 52 A 1 ATOM 374 O OE1 . GLN A 1 52 ? 3.360 1.029 -8.037 1.00 55.21 52 A 1 ATOM 375 N NE2 . GLN A 1 52 ? 4.663 2.577 -7.218 1.00 51.47 52 A 1 ATOM 376 N N . LYS A 1 53 ? -1.337 1.611 -4.658 1.00 66.97 53 A 1 ATOM 377 C CA . LYS A 1 53 ? -2.523 2.434 -4.428 1.00 67.45 53 A 1 ATOM 378 C C . LYS A 1 53 ? -2.812 2.618 -2.933 1.00 64.35 53 A 1 ATOM 379 O O . LYS A 1 53 ? -3.021 3.750 -2.504 1.00 63.51 53 A 1 ATOM 380 C CB . LYS A 1 53 ? -3.718 1.845 -5.196 1.00 67.05 53 A 1 ATOM 381 C CG . LYS A 1 53 ? -4.929 2.771 -5.091 1.00 63.31 53 A 1 ATOM 382 C CD . LYS A 1 53 ? -6.113 2.310 -5.943 1.00 63.06 53 A 1 ATOM 383 C CE . LYS A 1 53 ? -7.249 3.274 -5.612 1.00 57.33 53 A 1 ATOM 384 N NZ . LYS A 1 53 ? -8.474 3.060 -6.412 1.00 52.79 53 A 1 ATOM 385 N N . ILE A 1 54 ? -2.751 1.547 -2.144 1.00 67.21 54 A 1 ATOM 386 C CA . ILE A 1 54 ? -2.938 1.602 -0.686 1.00 66.42 54 A 1 ATOM 387 C C . ILE A 1 54 ? -1.850 2.461 -0.031 1.00 65.26 54 A 1 ATOM 388 O O . ILE A 1 54 ? -2.151 3.267 0.845 1.00 62.63 54 A 1 ATOM 389 C CB . ILE A 1 54 ? -2.964 0.177 -0.093 1.00 64.72 54 A 1 ATOM 390 C CG1 . ILE A 1 54 ? -4.231 -0.582 -0.557 1.00 61.67 54 A 1 ATOM 391 C CG2 . ILE A 1 54 ? -2.906 0.200 1.446 1.00 60.59 54 A 1 ATOM 392 C CD1 . ILE A 1 54 ? -4.149 -2.096 -0.343 1.00 57.16 54 A 1 ATOM 393 N N . ILE A 1 55 ? -0.597 2.321 -0.456 1.00 60.69 55 A 1 ATOM 394 C CA . ILE A 1 55 ? 0.510 3.147 0.038 1.00 63.08 55 A 1 ATOM 395 C C . ILE A 1 55 ? 0.266 4.621 -0.298 1.00 62.10 55 A 1 ATOM 396 O O . ILE A 1 55 ? 0.419 5.468 0.579 1.00 61.50 55 A 1 ATOM 397 C CB . ILE A 1 55 ? 1.860 2.641 -0.515 1.00 61.77 55 A 1 ATOM 398 C CG1 . ILE A 1 55 ? 2.214 1.273 0.112 1.00 59.41 55 A 1 ATOM 399 C CG2 . ILE A 1 55 ? 2.995 3.644 -0.236 1.00 58.78 55 A 1 ATOM 400 C CD1 . ILE A 1 55 ? 3.316 0.521 -0.637 1.00 54.72 55 A 1 ATOM 401 N N . ASN A 1 56 ? -0.152 4.934 -1.518 1.00 63.48 56 A 1 ATOM 402 C CA . ASN A 1 56 ? -0.446 6.307 -1.918 1.00 65.84 56 A 1 ATOM 403 C C . ASN A 1 56 ? -1.641 6.886 -1.152 1.00 62.68 56 A 1 ATOM 404 O O . ASN A 1 56 ? -1.561 8.019 -0.682 1.00 61.63 56 A 1 ATOM 405 C CB . ASN A 1 56 ? -0.687 6.367 -3.434 1.00 66.20 56 A 1 ATOM 406 C CG . ASN A 1 56 ? 0.599 6.327 -4.250 1.00 61.12 56 A 1 ATOM 407 O OD1 . ASN A 1 56 ? 1.706 6.442 -3.758 1.00 60.20 56 A 1 ATOM 408 N ND2 . ASN A 1 56 ? 0.473 6.205 -5.556 1.00 57.74 56 A 1 ATOM 409 N N . GLU A 1 57 ? -2.715 6.125 -0.981 1.00 62.70 57 A 1 ATOM 410 C CA . GLU A 1 57 ? -3.870 6.546 -0.178 1.00 63.98 57 A 1 ATOM 411 C C . GLU A 1 57 ? -3.474 6.761 1.287 1.00 62.74 57 A 1 ATOM 412 O O . GLU A 1 57 ? -3.792 7.798 1.865 1.00 60.19 57 A 1 ATOM 413 C CB . GLU A 1 57 ? -5.013 5.520 -0.313 1.00 64.03 57 A 1 ATOM 414 C CG . GLU A 1 57 ? -5.732 5.642 -1.667 1.00 59.21 57 A 1 ATOM 415 C CD . GLU A 1 57 ? -6.796 4.562 -1.941 1.00 57.01 57 A 1 ATOM 416 O OE1 . GLU A 1 57 ? -7.468 4.665 -2.996 1.00 53.15 57 A 1 ATOM 417 O OE2 . GLU A 1 57 ? -6.909 3.591 -1.165 1.00 54.73 57 A 1 ATOM 418 N N . SER A 1 58 ? -2.689 5.846 1.858 1.00 62.45 58 A 1 ATOM 419 C CA . SER A 1 58 ? -2.185 5.972 3.230 1.00 62.42 58 A 1 ATOM 420 C C . SER A 1 58 ? -1.231 7.163 3.389 1.00 61.66 58 A 1 ATOM 421 O O . SER A 1 58 ? -1.272 7.860 4.400 1.00 60.67 58 A 1 ATOM 422 C CB . SER A 1 58 ? -1.448 4.700 3.662 1.00 60.66 58 A 1 ATOM 423 O OG . SER A 1 58 ? -2.273 3.556 3.557 1.00 53.40 58 A 1 ATOM 424 N N . ALA A 1 59 ? -0.385 7.421 2.396 1.00 61.80 59 A 1 ATOM 425 C CA . ALA A 1 59 ? 0.501 8.580 2.388 1.00 62.86 59 A 1 ATOM 426 C C . ALA A 1 59 ? -0.291 9.889 2.283 1.00 62.41 59 A 1 ATOM 427 O O . ALA A 1 59 ? 0.004 10.838 3.006 1.00 61.50 59 A 1 ATOM 428 C CB . ALA A 1 59 ? 1.510 8.440 1.240 1.00 62.27 59 A 1 ATOM 429 N N . HIS A 1 60 ? -1.336 9.935 1.448 1.00 60.78 60 A 1 ATOM 430 C CA . HIS A 1 60 ? -2.234 11.084 1.378 1.00 62.86 60 A 1 ATOM 431 C C . HIS A 1 60 ? -2.968 11.314 2.697 1.00 61.70 60 A 1 ATOM 432 O O . HIS A 1 60 ? -3.010 12.450 3.167 1.00 61.03 60 A 1 ATOM 433 C CB . HIS A 1 60 ? -3.224 10.915 0.218 1.00 62.80 60 A 1 ATOM 434 C CG . HIS A 1 60 ? -2.662 11.404 -1.091 1.00 58.98 60 A 1 ATOM 435 N ND1 . HIS A 1 60 ? -2.252 12.696 -1.342 1.00 53.88 60 A 1 ATOM 436 C CD2 . HIS A 1 60 ? -2.467 10.690 -2.245 1.00 52.76 60 A 1 ATOM 437 C CE1 . HIS A 1 60 ? -1.819 12.763 -2.607 1.00 51.94 60 A 1 ATOM 438 N NE2 . HIS A 1 60 ? -1.935 11.562 -3.199 1.00 52.83 60 A 1 ATOM 439 N N . GLU A 1 61 ? -3.474 10.262 3.322 1.00 58.11 61 A 1 ATOM 440 C CA . GLU A 1 61 ? -4.153 10.351 4.615 1.00 60.39 61 A 1 ATOM 441 C C . GLU A 1 61 ? -3.187 10.824 5.719 1.00 59.12 61 A 1 ATOM 442 O O . GLU A 1 61 ? -3.523 11.710 6.499 1.00 57.94 61 A 1 ATOM 443 C CB . GLU A 1 61 ? -4.813 8.992 4.930 1.00 60.42 61 A 1 ATOM 444 C CG . GLU A 1 61 ? -5.948 9.094 5.961 1.00 55.36 61 A 1 ATOM 445 C CD . GLU A 1 61 ? -6.709 7.766 6.189 1.00 53.02 61 A 1 ATOM 446 O OE1 . GLU A 1 61 ? -7.768 7.794 6.860 1.00 49.22 61 A 1 ATOM 447 O OE2 . GLU A 1 61 ? -6.236 6.697 5.747 1.00 50.99 61 A 1 ATOM 448 N N . ALA A 1 62 ? -1.949 10.326 5.724 1.00 60.92 62 A 1 ATOM 449 C CA . ALA A 1 62 ? -0.914 10.786 6.649 1.00 61.23 62 A 1 ATOM 450 C C . ALA A 1 62 ? -0.552 12.268 6.435 1.00 60.42 62 A 1 ATOM 451 O O . ALA A 1 62 ? -0.398 13.010 7.404 1.00 59.55 62 A 1 ATOM 452 C CB . ALA A 1 62 ? 0.319 9.886 6.500 1.00 60.26 62 A 1 ATOM 453 N N . ILE A 1 63 ? -0.464 12.721 5.185 1.00 57.71 63 A 1 ATOM 454 C CA . ILE A 1 63 ? -0.219 14.132 4.856 1.00 60.35 63 A 1 ATOM 455 C C . ILE A 1 63 ? -1.391 15.009 5.313 1.00 59.47 63 A 1 ATOM 456 O O . ILE A 1 63 ? -1.156 16.084 5.866 1.00 58.60 63 A 1 ATOM 457 C CB . ILE A 1 63 ? 0.069 14.290 3.347 1.00 60.90 63 A 1 ATOM 458 C CG1 . ILE A 1 63 ? 1.452 13.688 3.000 1.00 57.73 63 A 1 ATOM 459 C CG2 . ILE A 1 63 ? 0.029 15.769 2.908 1.00 57.65 63 A 1 ATOM 460 C CD1 . ILE A 1 63 ? 1.655 13.447 1.497 1.00 54.15 63 A 1 ATOM 461 N N . GLU A 1 64 ? -2.627 14.568 5.109 1.00 54.82 64 A 1 ATOM 462 C CA . GLU A 1 64 ? -3.808 15.305 5.567 1.00 57.50 64 A 1 ATOM 463 C C . GLU A 1 64 ? -3.878 15.379 7.098 1.00 55.61 64 A 1 ATOM 464 O O . GLU A 1 64 ? -4.184 16.441 7.644 1.00 56.47 64 A 1 ATOM 465 C CB . GLU A 1 64 ? -5.083 14.680 4.979 1.00 58.73 64 A 1 ATOM 466 C CG . GLU A 1 64 ? -5.270 14.978 3.476 1.00 55.38 64 A 1 ATOM 467 C CD . GLU A 1 64 ? -5.466 16.477 3.196 1.00 54.01 64 A 1 ATOM 468 O OE1 . GLU A 1 64 ? -4.636 17.067 2.452 1.00 49.98 64 A 1 ATOM 469 O OE2 . GLU A 1 64 ? -6.416 17.054 3.758 1.00 52.01 64 A 1 ATOM 470 N N . ILE A 1 65 ? -3.514 14.306 7.810 1.00 59.52 65 A 1 ATOM 471 C CA . ILE A 1 65 ? -3.400 14.322 9.273 1.00 60.00 65 A 1 ATOM 472 C C . ILE A 1 65 ? -2.326 15.327 9.709 1.00 58.28 65 A 1 ATOM 473 O O . ILE A 1 65 ? -2.597 16.186 10.548 1.00 56.60 65 A 1 ATOM 474 C CB . ILE A 1 65 ? -3.133 12.898 9.811 1.00 59.61 65 A 1 ATOM 475 C CG1 . ILE A 1 65 ? -4.379 12.004 9.600 1.00 56.51 65 A 1 ATOM 476 C CG2 . ILE A 1 65 ? -2.766 12.928 11.308 1.00 55.90 65 A 1 ATOM 477 C CD1 . ILE A 1 65 ? -4.087 10.504 9.734 1.00 52.83 65 A 1 ATOM 478 N N . LEU A 1 66 ? -1.151 15.287 9.097 1.00 57.22 66 A 1 ATOM 479 C CA . LEU A 1 66 ? -0.062 16.215 9.421 1.00 57.59 66 A 1 ATOM 480 C C . LEU A 1 66 ? -0.413 17.681 9.115 1.00 56.75 66 A 1 ATOM 481 O O . LEU A 1 66 ? 0.031 18.578 9.834 1.00 55.87 66 A 1 ATOM 482 C CB . LEU A 1 66 ? 1.197 15.794 8.647 1.00 57.71 66 A 1 ATOM 483 C CG . LEU A 1 66 ? 1.861 14.501 9.153 1.00 52.73 66 A 1 ATOM 484 C CD1 . LEU A 1 66 ? 2.933 14.052 8.156 1.00 48.67 66 A 1 ATOM 485 C CD2 . LEU A 1 66 ? 2.531 14.693 10.512 1.00 49.89 66 A 1 ATOM 486 N N . LYS A 1 67 ? -1.205 17.938 8.076 1.00 56.79 67 A 1 ATOM 487 C CA . LYS A 1 67 ? -1.738 19.277 7.792 1.00 57.37 67 A 1 ATOM 488 C C . LYS A 1 67 ? -2.751 19.717 8.847 1.00 54.38 67 A 1 ATOM 489 O O . LYS A 1 67 ? -2.685 20.858 9.295 1.00 54.03 67 A 1 ATOM 490 C CB . LYS A 1 67 ? -2.416 19.306 6.422 1.00 58.26 67 A 1 ATOM 491 C CG . LYS A 1 67 ? -1.439 19.320 5.238 1.00 54.08 67 A 1 ATOM 492 C CD . LYS A 1 67 ? -2.294 19.247 3.974 1.00 53.90 67 A 1 ATOM 493 C CE . LYS A 1 67 ? -1.493 19.086 2.694 1.00 49.18 67 A 1 ATOM 494 N NZ . LYS A 1 67 ? -2.441 18.741 1.603 1.00 46.13 67 A 1 ATOM 495 N N . ASN A 1 68 ? -3.658 18.825 9.236 1.00 58.10 68 A 1 ATOM 496 C CA . ASN A 1 68 ? -4.680 19.124 10.241 1.00 57.40 68 A 1 ATOM 497 C C . ASN A 1 68 ? -4.079 19.338 11.635 1.00 54.73 68 A 1 ATOM 498 O O . ASN A 1 68 ? -4.548 20.206 12.370 1.00 53.70 68 A 1 ATOM 499 C CB . ASN A 1 68 ? -5.728 17.998 10.238 1.00 58.87 68 A 1 ATOM 500 C CG . ASN A 1 68 ? -6.700 18.105 9.070 1.00 54.08 68 A 1 ATOM 501 O OD1 . ASN A 1 68 ? -7.092 19.178 8.642 1.00 51.77 68 A 1 ATOM 502 N ND2 . ASN A 1 68 ? -7.148 16.988 8.541 1.00 48.92 68 A 1 ATOM 503 N N . ASP A 1 69 ? -3.000 18.622 11.962 1.00 54.42 69 A 1 ATOM 504 C CA . ASP A 1 69 ? -2.246 18.814 13.204 1.00 55.40 69 A 1 ATOM 505 C C . ASP A 1 69 ? -1.330 20.059 13.171 1.00 53.66 69 A 1 ATOM 506 O O . ASP A 1 69 ? -0.591 20.325 14.121 1.00 52.41 69 A 1 ATOM 507 C CB . ASP A 1 69 ? -1.463 17.528 13.529 1.00 56.23 69 A 1 ATOM 508 C CG . ASP A 1 69 ? -2.342 16.369 14.033 1.00 51.45 69 A 1 ATOM 509 O OD1 . ASP A 1 69 ? -3.474 16.628 14.503 1.00 48.78 69 A 1 ATOM 510 O OD2 . ASP A 1 69 ? -1.840 15.223 14.010 1.00 46.18 69 A 1 ATOM 511 N N . GLY A 1 70 ? -1.366 20.841 12.088 1.00 57.46 70 A 1 ATOM 512 C CA . GLY A 1 70 ? -0.587 22.075 11.952 1.00 57.19 70 A 1 ATOM 513 C C . GLY A 1 70 ? 0.924 21.864 11.785 1.00 56.15 70 A 1 ATOM 514 O O . GLY A 1 70 ? 1.679 22.838 11.790 1.00 52.92 70 A 1 ATOM 515 N N . VAL A 1 71 ? 1.361 20.615 11.607 1.00 53.78 71 A 1 ATOM 516 C CA . VAL A 1 71 ? 2.784 20.266 11.419 1.00 55.03 71 A 1 ATOM 517 C C . VAL A 1 71 ? 3.263 20.655 10.020 1.00 54.24 71 A 1 ATOM 518 O O . VAL A 1 71 ? 4.403 21.084 9.842 1.00 51.73 71 A 1 ATOM 519 C CB . VAL A 1 71 ? 3.009 18.767 11.691 1.00 54.30 71 A 1 ATOM 520 C CG1 . VAL A 1 71 ? 4.477 18.365 11.516 1.00 47.77 71 A 1 ATOM 521 C CG2 . VAL A 1 71 ? 2.595 18.391 13.115 1.00 48.56 71 A 1 ATOM 522 N N . ILE A 1 72 ? 2.373 20.567 9.034 1.00 47.46 72 A 1 ATOM 523 C CA . ILE A 1 72 ? 2.632 21.037 7.673 1.00 50.50 72 A 1 ATOM 524 C C . ILE A 1 72 ? 1.839 22.323 7.450 1.00 49.22 72 A 1 ATOM 525 O O . ILE A 1 72 ? 0.761 22.335 6.857 1.00 47.19 72 A 1 ATOM 526 C CB . ILE A 1 72 ? 2.363 19.943 6.616 1.00 50.86 72 A 1 ATOM 527 C CG1 . ILE A 1 72 ? 3.112 18.634 6.974 1.00 47.18 72 A 1 ATOM 528 C CG2 . ILE A 1 72 ? 2.791 20.447 5.226 1.00 46.53 72 A 1 ATOM 529 C CD1 . ILE A 1 72 ? 2.921 17.501 5.952 1.00 43.45 72 A 1 ATOM 530 N N . THR A 1 73 ? 2.371 23.442 7.911 1.00 47.83 73 A 1 ATOM 531 C CA . THR A 1 73 ? 1.963 24.741 7.387 1.00 49.15 73 A 1 ATOM 532 C C . THR A 1 73 ? 2.543 24.894 5.985 1.00 48.64 73 A 1 ATOM 533 O O . THR A 1 73 ? 3.684 24.507 5.728 1.00 46.14 73 A 1 ATOM 534 C CB . THR A 1 73 ? 2.369 25.899 8.308 1.00 47.62 73 A 1 ATOM 535 O OG1 . THR A 1 73 ? 3.706 25.773 8.735 1.00 43.24 73 A 1 ATOM 536 C CG2 . THR A 1 73 ? 1.494 25.930 9.563 1.00 42.15 73 A 1 ATOM 537 N N . SER A 1 74 ? 1.753 25.439 5.066 1.00 43.00 74 A 1 ATOM 538 C CA . SER A 1 74 ? 2.140 25.693 3.670 1.00 44.26 74 A 1 ATOM 539 C C . SER A 1 74 ? 3.427 26.519 3.604 1.00 43.78 74 A 1 ATOM 540 O O . SER A 1 74 ? 3.394 27.750 3.636 1.00 41.98 74 A 1 ATOM 541 C CB . SER A 1 74 ? 1.008 26.445 2.953 1.00 43.04 74 A 1 ATOM 542 O OG . SER A 1 74 ? -0.233 25.790 3.143 1.00 39.08 74 A 1 ATOM 543 N N . GLY A 1 75 ? 4.564 25.844 3.536 1.00 41.77 75 A 1 ATOM 544 C CA . GLY A 1 75 ? 5.852 26.521 3.531 1.00 42.18 75 A 1 ATOM 545 C C . GLY A 1 75 ? 6.992 25.589 3.899 1.00 42.07 75 A 1 ATOM 546 O O . GLY A 1 75 ? 7.343 25.483 5.059 1.00 39.68 75 A 1 ATOM 547 N N . ARG A 1 76 ? 7.590 24.984 2.871 1.00 37.43 76 A 1 ATOM 548 C CA . ARG A 1 76 ? 8.800 24.150 2.912 1.00 40.26 76 A 1 ATOM 549 C C . ARG A 1 76 ? 8.681 22.898 3.786 1.00 39.03 76 A 1 ATOM 550 O O . ARG A 1 76 ? 8.800 22.942 5.002 1.00 38.08 76 A 1 ATOM 551 C CB . ARG A 1 76 ? 10.038 24.986 3.292 1.00 40.54 76 A 1 ATOM 552 C CG . ARG A 1 76 ? 10.405 26.010 2.215 1.00 36.59 76 A 1 ATOM 553 C CD . ARG A 1 76 ? 11.658 26.788 2.612 1.00 34.56 76 A 1 ATOM 554 N NE . ARG A 1 76 ? 12.113 27.657 1.510 1.00 31.81 76 A 1 ATOM 555 C CZ . ARG A 1 76 ? 13.146 28.487 1.551 1.00 29.55 76 A 1 ATOM 556 N NH1 . ARG A 1 76 ? 13.852 28.637 2.635 1.00 29.43 76 A 1 ATOM 557 N NH2 . ARG A 1 76 ? 13.481 29.173 0.493 1.00 28.18 76 A 1 ATOM 558 N N . VAL A 1 77 ? 8.596 21.762 3.113 1.00 40.74 77 A 1 ATOM 559 C CA . VAL A 1 77 ? 9.128 20.511 3.659 1.00 41.77 77 A 1 ATOM 560 C C . VAL A 1 77 ? 10.601 20.779 3.953 1.00 41.85 77 A 1 ATOM 561 O O . VAL A 1 77 ? 11.424 20.844 3.045 1.00 40.24 77 A 1 ATOM 562 C CB . VAL A 1 77 ? 8.956 19.346 2.660 1.00 40.28 77 A 1 ATOM 563 C CG1 . VAL A 1 77 ? 9.492 18.031 3.234 1.00 36.12 77 A 1 ATOM 564 C CG2 . VAL A 1 77 ? 7.478 19.143 2.302 1.00 35.69 77 A 1 ATOM 565 N N . THR A 1 78 ? 10.905 21.062 5.209 1.00 38.98 78 A 1 ATOM 566 C CA . THR A 1 78 ? 12.291 21.111 5.654 1.00 41.33 78 A 1 ATOM 567 C C . THR A 1 78 ? 12.791 19.685 5.541 1.00 41.79 78 A 1 ATOM 568 O O . THR A 1 78 ? 12.273 18.798 6.215 1.00 40.04 78 A 1 ATOM 569 C CB . THR A 1 78 ? 12.415 21.646 7.093 1.00 39.75 78 A 1 ATOM 570 O OG1 . THR A 1 78 ? 11.414 22.609 7.363 1.00 34.99 78 A 1 ATOM 571 C CG2 . THR A 1 78 ? 13.754 22.338 7.311 1.00 33.96 78 A 1 ATOM 572 N N . GLU A 1 79 ? 13.739 19.446 4.644 1.00 34.32 79 A 1 ATOM 573 C CA . GLU A 1 79 ? 14.503 18.206 4.650 1.00 36.85 79 A 1 ATOM 574 C C . GLU A 1 79 ? 15.034 18.022 6.071 1.00 36.06 79 A 1 ATOM 575 O O . GLU A 1 79 ? 15.935 18.739 6.513 1.00 35.46 79 A 1 ATOM 576 C CB . GLU A 1 79 ? 15.663 18.268 3.644 1.00 37.11 79 A 1 ATOM 577 C CG . GLU A 1 79 ? 15.217 18.059 2.190 1.00 32.77 79 A 1 ATOM 578 C CD . GLU A 1 79 ? 16.385 18.125 1.192 1.00 30.60 79 A 1 ATOM 579 O OE1 . GLU A 1 79 ? 16.335 17.375 0.189 1.00 28.09 79 A 1 ATOM 580 O OE2 . GLU A 1 79 ? 17.300 18.948 1.412 1.00 30.36 79 A 1 ATOM 581 N N . MET A 1 80 ? 14.441 17.096 6.811 1.00 37.51 80 A 1 ATOM 582 C CA . MET A 1 80 ? 15.081 16.598 8.017 1.00 40.37 80 A 1 ATOM 583 C C . MET A 1 80 ? 16.283 15.781 7.557 1.00 39.16 80 A 1 ATOM 584 O O . MET A 1 80 ? 16.179 14.590 7.282 1.00 38.08 80 A 1 ATOM 585 C CB . MET A 1 80 ? 14.117 15.790 8.895 1.00 39.37 80 A 1 ATOM 586 C CG . MET A 1 80 ? 13.195 16.687 9.721 1.00 34.07 80 A 1 ATOM 587 S SD . MET A 1 80 ? 12.366 15.839 11.104 1.00 30.83 80 A 1 ATOM 588 C CE . MET A 1 80 ? 11.192 14.789 10.204 1.00 28.60 80 A 1 ATOM 589 N N . ALA A 1 81 ? 17.414 16.447 7.449 1.00 40.06 81 A 1 ATOM 590 C CA . ALA A 1 81 ? 18.698 15.785 7.424 1.00 43.11 81 A 1 ATOM 591 C C . ALA A 1 81 ? 18.794 14.981 8.723 1.00 42.87 81 A 1 ATOM 592 O O . ALA A 1 81 ? 18.955 15.535 9.807 1.00 41.29 81 A 1 ATOM 593 C CB . ALA A 1 81 ? 19.809 16.834 7.275 1.00 41.38 81 A 1 ATOM 594 N N . VAL A 1 82 ? 18.617 13.666 8.598 1.00 42.60 82 A 1 ATOM 595 C CA . VAL A 1 82 ? 18.964 12.743 9.675 1.00 46.63 82 A 1 ATOM 596 C C . VAL A 1 82 ? 20.482 12.776 9.775 1.00 46.07 82 A 1 ATOM 597 O O . VAL A 1 82 ? 21.184 12.050 9.076 1.00 44.61 82 A 1 ATOM 598 C CB . VAL A 1 82 ? 18.404 11.331 9.428 1.00 45.48 82 A 1 ATOM 599 C CG1 . VAL A 1 82 ? 18.782 10.378 10.568 1.00 38.05 82 A 1 ATOM 600 C CG2 . VAL A 1 82 ? 16.874 11.359 9.321 1.00 38.39 82 A 1 ATOM 601 N N . GLU A 1 83 ? 20.983 13.683 10.587 1.00 41.82 83 A 1 ATOM 602 C CA . GLU A 1 83 ? 22.395 13.734 10.920 1.00 46.32 83 A 1 ATOM 603 C C . GLU A 1 83 ? 22.705 12.471 11.718 1.00 44.72 83 A 1 ATOM 604 O O . GLU A 1 83 ? 22.317 12.298 12.872 1.00 43.95 83 A 1 ATOM 605 C CB . GLU A 1 83 ? 22.720 15.051 11.633 1.00 47.62 83 A 1 ATOM 606 C CG . GLU A 1 83 ? 24.210 15.400 11.530 1.00 41.52 83 A 1 ATOM 607 C CD . GLU A 1 83 ? 24.540 16.798 12.077 1.00 39.05 83 A 1 ATOM 608 O OE1 . GLU A 1 83 ? 25.598 17.330 11.680 1.00 36.12 83 A 1 ATOM 609 O OE2 . GLU A 1 83 ? 23.739 17.324 12.884 1.00 40.02 83 A 1 ATOM 610 N N . LYS A 1 84 ? 23.326 11.538 11.040 1.00 44.98 84 A 1 ATOM 611 C CA . LYS A 1 84 ? 23.777 10.285 11.624 1.00 49.98 84 A 1 ATOM 612 C C . LYS A 1 84 ? 24.969 10.618 12.520 1.00 46.27 84 A 1 ATOM 613 O O . LYS A 1 84 ? 26.100 10.663 12.048 1.00 43.67 84 A 1 ATOM 614 C CB . LYS A 1 84 ? 24.092 9.305 10.477 1.00 49.47 84 A 1 ATOM 615 C CG . LYS A 1 84 ? 24.105 7.837 10.919 1.00 43.52 84 A 1 ATOM 616 C CD . LYS A 1 84 ? 24.404 6.944 9.710 1.00 42.12 84 A 1 ATOM 617 C CE . LYS A 1 84 ? 24.257 5.468 10.063 1.00 38.66 84 A 1 ATOM 618 N NZ . LYS A 1 84 ? 24.592 4.597 8.915 1.00 36.20 84 A 1 ATOM 619 N N . THR A 1 85 ? 24.702 10.881 13.789 1.00 48.63 85 A 1 ATOM 620 C CA . THR A 1 85 ? 25.759 10.970 14.797 1.00 52.67 85 A 1 ATOM 621 C C . THR A 1 85 ? 26.402 9.599 14.948 1.00 51.54 85 A 1 ATOM 622 O O . THR A 1 85 ? 25.884 8.712 15.626 1.00 48.35 85 A 1 ATOM 623 C CB . THR A 1 85 ? 25.250 11.519 16.142 1.00 50.97 85 A 1 ATOM 624 O OG1 . THR A 1 85 ? 23.861 11.322 16.291 1.00 43.84 85 A 1 ATOM 625 C CG2 . THR A 1 85 ? 25.498 13.021 16.244 1.00 43.59 85 A 1 ATOM 626 N N . CYS A 1 86 ? 27.512 9.411 14.253 1.00 44.50 86 A 1 ATOM 627 C CA . CYS A 1 86 ? 28.447 8.339 14.565 1.00 50.31 86 A 1 ATOM 628 C C . CYS A 1 86 ? 29.161 8.723 15.871 1.00 49.16 86 A 1 ATOM 629 O O . CYS A 1 86 ? 29.860 9.737 15.908 1.00 46.09 86 A 1 ATOM 630 C CB . CYS A 1 86 ? 29.457 8.166 13.420 1.00 49.25 86 A 1 ATOM 631 S SG . CYS A 1 86 ? 28.664 7.412 11.959 1.00 39.89 86 A 1 ATOM 632 N N . HIS A 1 87 ? 28.953 7.918 16.889 1.00 47.57 87 A 1 ATOM 633 C CA . HIS A 1 87 ? 29.909 7.757 17.983 1.00 53.03 87 A 1 ATOM 634 C C . HIS A 1 87 ? 30.808 6.557 17.687 1.00 47.15 87 A 1 ATOM 635 O O . HIS A 1 87 ? 30.283 5.563 17.133 1.00 43.03 87 A 1 ATOM 636 C CB . HIS A 1 87 ? 29.185 7.620 19.330 1.00 49.91 87 A 1 ATOM 637 C CG . HIS A 1 87 ? 29.102 8.927 20.085 1.00 43.94 87 A 1 ATOM 638 N ND1 . HIS A 1 87 ? 30.185 9.665 20.492 1.00 39.84 87 A 1 ATOM 639 C CD2 . HIS A 1 87 ? 27.982 9.580 20.517 1.00 36.22 87 A 1 ATOM 640 C CE1 . HIS A 1 87 ? 29.735 10.752 21.148 1.00 39.03 87 A 1 ATOM 641 N NE2 . HIS A 1 87 ? 28.392 10.736 21.194 1.00 42.82 87 A 1 ATOM 642 O OXT . HIS A 1 87 ? 32.020 6.640 18.048 1.00 39.22 87 A 1 #