# 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_orf65 # _entry.id orf65 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n VAL 2 1 n MET 3 1 n LEU 4 1 n ASN 5 1 n LYS 6 1 n VAL 7 1 n TYR 8 1 n SER 9 1 n THR 10 1 n MET 11 1 n GLY 12 1 n ALA 13 1 n ASP 14 1 n TYR 15 1 n LYS 16 1 n VAL 17 1 n VAL 18 1 n ARG 19 1 n HIS 20 1 n PRO 21 1 n ARG 22 1 n THR 23 1 n GLY 24 1 n LYS 25 1 n PHE 26 1 n GLU 27 1 n ALA 28 1 n TYR 29 1 n ILE 30 1 n ARG 31 1 n PRO 32 1 n MET 33 1 n GLY 34 1 n GLU 35 1 n GLY 36 1 n TRP 37 1 n MET 38 1 n TYR 39 1 n TYR 40 1 n GLY 41 1 n THR 42 1 n TYR 43 1 n ASP 44 1 n ASP 45 1 n ALA 46 1 n GLU 47 1 n GLN 48 1 n ALA 49 1 n TYR 50 1 n LYS 51 1 n GLU 52 1 n ALA 53 1 n GLU 54 1 n SER 55 1 n ALA 56 1 n ALA 57 1 n GLU 58 1 n ALA 59 1 n SER 60 1 n GLU 61 1 n ILE 62 1 n MET 63 1 n ALA 64 1 n ARG 65 1 n TYR 66 1 n ASP 67 1 n VAL 68 1 n ASP 69 1 n ASP 70 1 n TYR 71 1 n TYR 72 1 n LEU 73 1 n SER 74 # _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 01:08:00)" _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 81.45 _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 53.67 1 1 A VAL 2 2 62.65 1 2 A MET 3 2 62.55 1 3 A LEU 4 2 70.09 1 4 A ASN 5 2 71.49 1 5 A LYS 6 2 71.06 1 6 A VAL 7 2 85.34 1 7 A TYR 8 2 78.62 1 8 A SER 9 2 81.96 1 9 A THR 10 2 79.58 1 10 A MET 11 2 67.08 1 11 A GLY 12 2 80.44 1 12 A ALA 13 2 89.79 1 13 A ASP 14 2 90.70 1 14 A TYR 15 2 91.67 1 15 A LYS 16 2 93.18 1 16 A VAL 17 2 93.92 1 17 A VAL 18 2 93.06 1 18 A ARG 19 2 84.20 1 19 A HIS 20 2 88.42 1 20 A PRO 21 2 92.12 1 21 A ARG 22 2 81.24 1 22 A THR 23 2 94.11 1 23 A GLY 24 2 95.14 1 24 A LYS 25 2 93.37 1 25 A PHE 26 2 94.92 1 26 A GLU 27 2 93.62 1 27 A ALA 28 2 95.50 1 28 A TYR 29 2 94.41 1 29 A ILE 30 2 89.58 1 30 A ARG 31 2 86.71 1 31 A PRO 32 2 89.14 1 32 A MET 33 2 77.33 1 33 A GLY 34 2 85.56 1 34 A GLU 35 2 82.24 1 35 A GLY 36 2 91.05 1 36 A TRP 37 2 92.72 1 37 A MET 38 2 86.22 1 38 A TYR 39 2 93.56 1 39 A TYR 40 2 87.50 1 40 A GLY 41 2 96.44 1 41 A THR 42 2 96.49 1 42 A TYR 43 2 96.59 1 43 A ASP 44 2 94.25 1 44 A ASP 45 2 90.20 1 45 A ALA 46 2 94.07 1 46 A GLU 47 2 84.89 1 47 A GLN 48 2 90.64 1 48 A ALA 49 2 94.99 1 49 A TYR 50 2 82.86 1 50 A LYS 51 2 85.96 1 51 A GLU 52 2 90.44 1 52 A ALA 53 2 93.66 1 53 A GLU 54 2 88.55 1 54 A SER 55 2 90.22 1 55 A ALA 56 2 90.84 1 56 A ALA 57 2 89.68 1 57 A GLU 58 2 84.25 1 58 A ALA 59 2 86.58 1 59 A SER 60 2 79.56 1 60 A GLU 61 2 70.78 1 61 A ILE 62 2 76.95 1 62 A MET 63 2 70.07 1 63 A ALA 64 2 73.30 1 64 A ARG 65 2 65.37 1 65 A TYR 66 2 66.81 1 66 A ASP 67 2 65.82 1 67 A VAL 68 2 61.15 1 68 A ASP 69 2 62.83 1 69 A ASP 70 2 58.59 1 70 A TYR 71 2 51.90 1 71 A TYR 72 2 54.84 1 72 A LEU 73 2 53.19 1 73 A SER 74 2 49.56 1 74 # _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 VAL . 2 A 2 A 3 1 n MET . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n TYR . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n MET . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n ASP . 14 A 14 A 15 1 n TYR . 15 A 15 A 16 1 n LYS . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n ARG . 19 A 19 A 20 1 n HIS . 20 A 20 A 21 1 n PRO . 21 A 21 A 22 1 n ARG . 22 A 22 A 23 1 n THR . 23 A 23 A 24 1 n GLY . 24 A 24 A 25 1 n LYS . 25 A 25 A 26 1 n PHE . 26 A 26 A 27 1 n GLU . 27 A 27 A 28 1 n ALA . 28 A 28 A 29 1 n TYR . 29 A 29 A 30 1 n ILE . 30 A 30 A 31 1 n ARG . 31 A 31 A 32 1 n PRO . 32 A 32 A 33 1 n MET . 33 A 33 A 34 1 n GLY . 34 A 34 A 35 1 n GLU . 35 A 35 A 36 1 n GLY . 36 A 36 A 37 1 n TRP . 37 A 37 A 38 1 n MET . 38 A 38 A 39 1 n TYR . 39 A 39 A 40 1 n TYR . 40 A 40 A 41 1 n GLY . 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 ASP . 45 A 45 A 46 1 n ALA . 46 A 46 A 47 1 n GLU . 47 A 47 A 48 1 n GLN . 48 A 48 A 49 1 n ALA . 49 A 49 A 50 1 n TYR . 50 A 50 A 51 1 n LYS . 51 A 51 A 52 1 n GLU . 52 A 52 A 53 1 n ALA . 53 A 53 A 54 1 n GLU . 54 A 54 A 55 1 n SER . 55 A 55 A 56 1 n ALA . 56 A 56 A 57 1 n ALA . 57 A 57 A 58 1 n GLU . 58 A 58 A 59 1 n ALA . 59 A 59 A 60 1 n SER . 60 A 60 A 61 1 n GLU . 61 A 61 A 62 1 n ILE . 62 A 62 A 63 1 n MET . 63 A 63 A 64 1 n ALA . 64 A 64 A 65 1 n ARG . 65 A 65 A 66 1 n TYR . 66 A 66 A 67 1 n ASP . 67 A 67 A 68 1 n VAL . 68 A 68 A 69 1 n ASP . 69 A 69 A 70 1 n ASP . 70 A 70 A 71 1 n TYR . 71 A 71 A 72 1 n TYR . 72 A 72 A 73 1 n LEU . 73 A 73 A 74 1 n SER . 74 A 74 # _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 ? -4.817 5.909 -15.376 1.00 50.65 1 A 1 ATOM 2 C CA . MET A 1 1 ? -5.756 4.800 -15.088 1.00 61.60 1 A 1 ATOM 3 C C . MET A 1 1 ? -5.106 3.902 -14.047 1.00 63.64 1 A 1 ATOM 4 O O . MET A 1 1 ? -4.117 3.251 -14.360 1.00 59.75 1 A 1 ATOM 5 C CB . MET A 1 1 ? -6.103 4.044 -16.383 1.00 57.46 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.181 2.958 -16.200 1.00 50.07 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.651 2.192 -17.781 1.00 45.32 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.830 0.945 -17.207 1.00 40.84 1 A 1 ATOM 9 N N . VAL A 1 2 ? -5.585 3.931 -12.811 1.00 62.50 2 A 1 ATOM 10 C CA . VAL A 1 2 ? -5.051 3.120 -11.706 1.00 66.62 2 A 1 ATOM 11 C C . VAL A 1 2 ? -5.600 1.699 -11.815 1.00 67.67 2 A 1 ATOM 12 O O . VAL A 1 2 ? -6.807 1.498 -11.963 1.00 66.08 2 A 1 ATOM 13 C CB . VAL A 1 2 ? -5.344 3.754 -10.328 1.00 62.89 2 A 1 ATOM 14 C CG1 . VAL A 1 2 ? -4.221 4.714 -9.944 1.00 56.00 2 A 1 ATOM 15 C CG2 . VAL A 1 2 ? -6.682 4.500 -10.247 1.00 56.76 2 A 1 ATOM 16 N N . MET A 1 3 ? -4.715 0.688 -11.817 1.00 62.89 3 A 1 ATOM 17 C CA . MET A 1 3 ? -5.115 -0.720 -11.884 1.00 69.77 3 A 1 ATOM 18 C C . MET A 1 3 ? -5.315 -1.270 -10.468 1.00 71.39 3 A 1 ATOM 19 O O . MET A 1 3 ? -4.357 -1.383 -9.706 1.00 71.02 3 A 1 ATOM 20 C CB . MET A 1 3 ? -4.075 -1.558 -12.643 1.00 66.98 3 A 1 ATOM 21 C CG . MET A 1 3 ? -4.062 -1.271 -14.147 1.00 58.77 3 A 1 ATOM 22 S SD . MET A 1 3 ? -2.993 -2.418 -15.064 1.00 52.66 3 A 1 ATOM 23 C CE . MET A 1 3 ? -3.308 -1.863 -16.753 1.00 46.88 3 A 1 ATOM 24 N N . LEU A 1 4 ? -6.558 -1.648 -10.117 1.00 69.75 4 A 1 ATOM 25 C CA . LEU A 1 4 ? -6.860 -2.317 -8.847 1.00 73.94 4 A 1 ATOM 26 C C . LEU A 1 4 ? -6.086 -3.639 -8.727 1.00 75.43 4 A 1 ATOM 27 O O . LEU A 1 4 ? -5.853 -4.320 -9.724 1.00 74.21 4 A 1 ATOM 28 C CB . LEU A 1 4 ? -8.376 -2.556 -8.726 1.00 71.66 4 A 1 ATOM 29 C CG . LEU A 1 4 ? -9.228 -1.279 -8.661 1.00 66.81 4 A 1 ATOM 30 C CD1 . LEU A 1 4 ? -10.711 -1.643 -8.715 1.00 63.74 4 A 1 ATOM 31 C CD2 . LEU A 1 4 ? -8.974 -0.489 -7.376 1.00 65.16 4 A 1 ATOM 32 N N . ASN A 1 5 ? -5.709 -4.007 -7.493 1.00 75.34 5 A 1 ATOM 33 C CA . ASN A 1 5 ? -4.890 -5.180 -7.151 1.00 76.94 5 A 1 ATOM 34 C C . ASN A 1 5 ? -3.462 -5.189 -7.719 1.00 78.52 5 A 1 ATOM 35 O O . ASN A 1 5 ? -2.725 -6.146 -7.469 1.00 76.44 5 A 1 ATOM 36 C CB . ASN A 1 5 ? -5.638 -6.483 -7.482 1.00 73.85 5 A 1 ATOM 37 C CG . ASN A 1 5 ? -6.922 -6.640 -6.702 1.00 67.07 5 A 1 ATOM 38 O OD1 . ASN A 1 5 ? -7.030 -6.246 -5.561 1.00 62.78 5 A 1 ATOM 39 N ND2 . ASN A 1 5 ? -7.930 -7.249 -7.277 1.00 61.01 5 A 1 ATOM 40 N N . LYS A 1 6 ? -3.041 -4.156 -8.436 1.00 73.70 6 A 1 ATOM 41 C CA . LYS A 1 6 ? -1.646 -4.029 -8.856 1.00 75.65 6 A 1 ATOM 42 C C . LYS A 1 6 ? -0.795 -3.604 -7.657 1.00 76.17 6 A 1 ATOM 43 O O . LYS A 1 6 ? -1.145 -2.657 -6.960 1.00 77.80 6 A 1 ATOM 44 C CB . LYS A 1 6 ? -1.547 -3.065 -10.046 1.00 75.03 6 A 1 ATOM 45 C CG . LYS A 1 6 ? -0.120 -3.020 -10.601 1.00 70.88 6 A 1 ATOM 46 C CD . LYS A 1 6 ? -0.051 -2.193 -11.887 1.00 69.92 6 A 1 ATOM 47 C CE . LYS A 1 6 ? 1.415 -2.056 -12.307 1.00 64.46 6 A 1 ATOM 48 N NZ . LYS A 1 6 ? 1.582 -1.082 -13.412 1.00 55.94 6 A 1 ATOM 49 N N . VAL A 1 7 ? 0.304 -4.328 -7.450 1.00 86.39 7 A 1 ATOM 50 C CA . VAL A 1 7 ? 1.336 -3.965 -6.474 1.00 87.15 7 A 1 ATOM 51 C C . VAL A 1 7 ? 2.302 -2.997 -7.145 1.00 87.01 7 A 1 ATOM 52 O O . VAL A 1 7 ? 2.751 -3.241 -8.267 1.00 85.75 7 A 1 ATOM 53 C CB . VAL A 1 7 ? 2.064 -5.208 -5.932 1.00 85.89 7 A 1 ATOM 54 C CG1 . VAL A 1 7 ? 3.137 -4.834 -4.901 1.00 83.16 7 A 1 ATOM 55 C CG2 . VAL A 1 7 ? 1.075 -6.173 -5.260 1.00 82.02 7 A 1 ATOM 56 N N . TYR A 1 8 ? 2.577 -1.910 -6.455 1.00 86.07 8 A 1 ATOM 57 C CA . TYR A 1 8 ? 3.600 -0.932 -6.801 1.00 85.06 8 A 1 ATOM 58 C C . TYR A 1 8 ? 4.681 -0.984 -5.725 1.00 86.09 8 A 1 ATOM 59 O O . TYR A 1 8 ? 4.372 -1.228 -4.561 1.00 85.60 8 A 1 ATOM 60 C CB . TYR A 1 8 ? 2.969 0.454 -6.900 1.00 83.97 8 A 1 ATOM 61 C CG . TYR A 1 8 ? 1.896 0.588 -7.964 1.00 79.97 8 A 1 ATOM 62 C CD1 . TYR A 1 8 ? 2.226 1.103 -9.234 1.00 75.98 8 A 1 ATOM 63 C CD2 . TYR A 1 8 ? 0.566 0.218 -7.680 1.00 75.29 8 A 1 ATOM 64 C CE1 . TYR A 1 8 ? 1.229 1.263 -10.213 1.00 70.93 8 A 1 ATOM 65 C CE2 . TYR A 1 8 ? -0.436 0.370 -8.661 1.00 70.99 8 A 1 ATOM 66 C CZ . TYR A 1 8 ? -0.103 0.902 -9.925 1.00 72.02 8 A 1 ATOM 67 O OH . TYR A 1 8 ? -1.071 1.067 -10.870 1.00 71.48 8 A 1 ATOM 68 N N . SER A 1 9 ? 5.934 -0.792 -6.124 1.00 85.54 9 A 1 ATOM 69 C CA . SER A 1 9 ? 7.085 -0.894 -5.230 1.00 84.46 9 A 1 ATOM 70 C C . SER A 1 9 ? 7.893 0.397 -5.264 1.00 83.53 9 A 1 ATOM 71 O O . SER A 1 9 ? 8.188 0.911 -6.346 1.00 82.21 9 A 1 ATOM 72 C CB . SER A 1 9 ? 7.979 -2.081 -5.626 1.00 82.48 9 A 1 ATOM 73 O OG . SER A 1 9 ? 7.243 -3.299 -5.616 1.00 73.54 9 A 1 ATOM 74 N N . THR A 1 10 ? 8.248 0.896 -4.089 1.00 82.95 10 A 1 ATOM 75 C CA . THR A 1 10 ? 9.298 1.894 -3.861 1.00 81.45 10 A 1 ATOM 76 C C . THR A 1 10 ? 10.502 1.204 -3.214 1.00 81.87 10 A 1 ATOM 77 O O . THR A 1 10 ? 10.485 -0.010 -2.986 1.00 80.01 10 A 1 ATOM 78 C CB . THR A 1 10 ? 8.786 3.067 -3.003 1.00 79.89 10 A 1 ATOM 79 O OG1 . THR A 1 10 ? 8.552 2.653 -1.680 1.00 76.29 10 A 1 ATOM 80 C CG2 . THR A 1 10 ? 7.491 3.681 -3.541 1.00 74.58 10 A 1 ATOM 81 N N . MET A 1 11 ? 11.578 1.935 -2.906 1.00 75.51 11 A 1 ATOM 82 C CA . MET A 1 11 ? 12.731 1.361 -2.191 1.00 73.76 11 A 1 ATOM 83 C C . MET A 1 11 ? 12.415 1.016 -0.727 1.00 75.31 11 A 1 ATOM 84 O O . MET A 1 11 ? 13.047 0.117 -0.176 1.00 71.18 11 A 1 ATOM 85 C CB . MET A 1 11 ? 13.933 2.318 -2.255 1.00 70.24 11 A 1 ATOM 86 C CG . MET A 1 11 ? 14.520 2.414 -3.667 1.00 64.19 11 A 1 ATOM 87 S SD . MET A 1 11 ? 16.081 3.345 -3.789 1.00 56.69 11 A 1 ATOM 88 C CE . MET A 1 11 ? 17.198 2.279 -2.837 1.00 49.79 11 A 1 ATOM 89 N N . GLY A 1 12 ? 11.454 1.711 -0.100 1.00 79.51 12 A 1 ATOM 90 C CA . GLY A 1 12 ? 11.110 1.523 1.315 1.00 78.71 12 A 1 ATOM 91 C C . GLY A 1 12 ? 9.876 0.665 1.574 1.00 82.94 12 A 1 ATOM 92 O O . GLY A 1 12 ? 9.775 0.050 2.638 1.00 80.58 12 A 1 ATOM 93 N N . ALA A 1 13 ? 8.921 0.600 0.634 1.00 86.82 13 A 1 ATOM 94 C CA . ALA A 1 13 ? 7.681 -0.146 0.814 1.00 90.06 13 A 1 ATOM 95 C C . ALA A 1 13 ? 7.003 -0.513 -0.512 1.00 92.21 13 A 1 ATOM 96 O O . ALA A 1 13 ? 7.098 0.191 -1.512 1.00 91.56 13 A 1 ATOM 97 C CB . ALA A 1 13 ? 6.721 0.674 1.688 1.00 88.32 13 A 1 ATOM 98 N N . ASP A 1 14 ? 6.220 -1.599 -0.480 1.00 91.98 14 A 1 ATOM 99 C CA . ASP A 1 14 ? 5.227 -1.886 -1.507 1.00 93.08 14 A 1 ATOM 100 C C . ASP A 1 14 ? 3.865 -1.320 -1.103 1.00 94.00 14 A 1 ATOM 101 O O . ASP A 1 14 ? 3.527 -1.259 0.080 1.00 93.63 14 A 1 ATOM 102 C CB . ASP A 1 14 ? 5.108 -3.388 -1.751 1.00 91.96 14 A 1 ATOM 103 C CG . ASP A 1 14 ? 6.387 -4.057 -2.247 1.00 89.86 14 A 1 ATOM 104 O OD1 . ASP A 1 14 ? 7.129 -3.448 -3.034 1.00 86.11 14 A 1 ATOM 105 O OD2 . ASP A 1 14 ? 6.559 -5.245 -1.913 1.00 84.95 14 A 1 ATOM 106 N N . TYR A 1 15 ? 3.019 -0.990 -2.085 1.00 93.73 15 A 1 ATOM 107 C CA . TYR A 1 15 ? 1.638 -0.592 -1.831 1.00 94.23 15 A 1 ATOM 108 C C . TYR A 1 15 ? 0.672 -1.153 -2.869 1.00 94.65 15 A 1 ATOM 109 O O . TYR A 1 15 ? 1.026 -1.452 -4.012 1.00 94.37 15 A 1 ATOM 110 C CB . TYR A 1 15 ? 1.528 0.933 -1.696 1.00 93.60 15 A 1 ATOM 111 C CG . TYR A 1 15 ? 1.812 1.709 -2.967 1.00 93.06 15 A 1 ATOM 112 C CD1 . TYR A 1 15 ? 3.141 2.023 -3.331 1.00 90.68 15 A 1 ATOM 113 C CD2 . TYR A 1 15 ? 0.745 2.154 -3.773 1.00 91.06 15 A 1 ATOM 114 C CE1 . TYR A 1 15 ? 3.399 2.784 -4.484 1.00 88.95 15 A 1 ATOM 115 C CE2 . TYR A 1 15 ? 1.003 2.919 -4.927 1.00 89.28 15 A 1 ATOM 116 C CZ . TYR A 1 15 ? 2.330 3.240 -5.282 1.00 89.42 15 A 1 ATOM 117 O OH . TYR A 1 15 ? 2.578 4.000 -6.385 1.00 86.98 15 A 1 ATOM 118 N N . LYS A 1 16 ? -0.590 -1.335 -2.459 1.00 94.48 16 A 1 ATOM 119 C CA . LYS A 1 16 ? -1.679 -1.764 -3.343 1.00 94.86 16 A 1 ATOM 120 C C . LYS A 1 16 ? -3.018 -1.220 -2.868 1.00 95.04 16 A 1 ATOM 121 O O . LYS A 1 16 ? -3.235 -1.014 -1.677 1.00 95.24 16 A 1 ATOM 122 C CB . LYS A 1 16 ? -1.712 -3.303 -3.468 1.00 94.72 16 A 1 ATOM 123 C CG . LYS A 1 16 ? -2.109 -3.998 -2.156 1.00 95.08 16 A 1 ATOM 124 C CD . LYS A 1 16 ? -2.080 -5.523 -2.284 1.00 93.51 16 A 1 ATOM 125 C CE . LYS A 1 16 ? -2.483 -6.111 -0.924 1.00 90.45 16 A 1 ATOM 126 N NZ . LYS A 1 16 ? -2.339 -7.587 -0.887 1.00 85.23 16 A 1 ATOM 127 N N . VAL A 1 17 ? -3.977 -1.108 -3.792 1.00 94.71 17 A 1 ATOM 128 C CA . VAL A 1 17 ? -5.376 -0.779 -3.490 1.00 94.86 17 A 1 ATOM 129 C C . VAL A 1 17 ? -6.278 -1.920 -3.945 1.00 94.29 17 A 1 ATOM 130 O O . VAL A 1 17 ? -6.190 -2.402 -5.077 1.00 93.37 17 A 1 ATOM 131 C CB . VAL A 1 17 ? -5.785 0.567 -4.100 1.00 94.79 17 A 1 ATOM 132 C CG1 . VAL A 1 17 ? -7.261 0.891 -3.832 1.00 92.87 17 A 1 ATOM 133 C CG2 . VAL A 1 17 ? -4.937 1.702 -3.509 1.00 92.52 17 A 1 ATOM 134 N N . VAL A 1 18 ? -7.167 -2.364 -3.043 1.00 95.62 18 A 1 ATOM 135 C CA . VAL A 1 18 ? -8.127 -3.448 -3.272 1.00 95.28 18 A 1 ATOM 136 C C . VAL A 1 18 ? -9.540 -2.896 -3.128 1.00 95.55 18 A 1 ATOM 137 O O . VAL A 1 18 ? -9.832 -2.135 -2.216 1.00 95.30 18 A 1 ATOM 138 C CB . VAL A 1 18 ? -7.882 -4.619 -2.302 1.00 94.11 18 A 1 ATOM 139 C CG1 . VAL A 1 18 ? -8.832 -5.796 -2.583 1.00 87.75 18 A 1 ATOM 140 C CG2 . VAL A 1 18 ? -6.443 -5.148 -2.411 1.00 87.79 18 A 1 ATOM 141 N N . ARG A 1 19 ? -10.461 -3.299 -4.010 1.00 94.70 19 A 1 ATOM 142 C CA . ARG A 1 19 ? -11.878 -2.965 -3.841 1.00 94.21 19 A 1 ATOM 143 C C . ARG A 1 19 ? -12.532 -3.956 -2.884 1.00 94.01 19 A 1 ATOM 144 O O . ARG A 1 19 ? -12.532 -5.159 -3.151 1.00 93.28 19 A 1 ATOM 145 C CB . ARG A 1 19 ? -12.575 -2.915 -5.201 1.00 93.29 19 A 1 ATOM 146 C CG . ARG A 1 19 ? -13.958 -2.260 -5.077 1.00 88.59 19 A 1 ATOM 147 C CD . ARG A 1 19 ? -14.617 -2.172 -6.452 1.00 85.38 19 A 1 ATOM 148 N NE . ARG A 1 19 ? -15.898 -1.452 -6.380 1.00 78.24 19 A 1 ATOM 149 C CZ . ARG A 1 19 ? -16.860 -1.458 -7.283 1.00 73.25 19 A 1 ATOM 150 N NH1 . ARG A 1 19 ? -16.772 -2.155 -8.384 1.00 67.04 19 A 1 ATOM 151 N NH2 . ARG A 1 19 ? -17.935 -0.751 -7.095 1.00 64.24 19 A 1 ATOM 152 N N . HIS A 1 20 ? -13.139 -3.453 -1.811 1.00 93.96 20 A 1 ATOM 153 C CA . HIS A 1 20 ? -13.839 -4.291 -0.845 1.00 93.34 20 A 1 ATOM 154 C C . HIS A 1 20 ? -15.127 -4.862 -1.466 1.00 93.27 20 A 1 ATOM 155 O O . HIS A 1 20 ? -15.996 -4.096 -1.903 1.00 92.78 20 A 1 ATOM 156 C CB . HIS A 1 20 ? -14.114 -3.496 0.434 1.00 92.52 20 A 1 ATOM 157 C CG . HIS A 1 20 ? -14.659 -4.379 1.529 1.00 90.50 20 A 1 ATOM 158 N ND1 . HIS A 1 20 ? -15.976 -4.700 1.726 1.00 80.35 20 A 1 ATOM 159 C CD2 . HIS A 1 20 ? -13.950 -5.064 2.478 1.00 80.86 20 A 1 ATOM 160 C CE1 . HIS A 1 20 ? -16.055 -5.556 2.764 1.00 82.89 20 A 1 ATOM 161 N NE2 . HIS A 1 20 ? -14.840 -5.810 3.255 1.00 83.69 20 A 1 ATOM 162 N N . PRO A 1 21 ? -15.331 -6.204 -1.488 1.00 93.55 21 A 1 ATOM 163 C CA . PRO A 1 21 ? -16.405 -6.831 -2.263 1.00 93.07 21 A 1 ATOM 164 C C . PRO A 1 21 ? -17.816 -6.514 -1.746 1.00 94.03 21 A 1 ATOM 165 O O . PRO A 1 21 ? -18.762 -6.505 -2.527 1.00 92.20 21 A 1 ATOM 166 C CB . PRO A 1 21 ? -16.104 -8.335 -2.209 1.00 91.14 21 A 1 ATOM 167 C CG . PRO A 1 21 ? -15.271 -8.506 -0.938 1.00 89.16 21 A 1 ATOM 168 C CD . PRO A 1 21 ? -14.471 -7.212 -0.877 1.00 91.72 21 A 1 ATOM 169 N N . ARG A 1 22 ? -17.976 -6.260 -0.428 1.00 93.18 22 A 1 ATOM 170 C CA . ARG A 1 22 ? -19.285 -5.978 0.191 1.00 94.38 22 A 1 ATOM 171 C C . ARG A 1 22 ? -19.654 -4.495 0.176 1.00 95.17 22 A 1 ATOM 172 O O . ARG A 1 22 ? -20.807 -4.168 -0.065 1.00 93.82 22 A 1 ATOM 173 C CB . ARG A 1 22 ? -19.328 -6.505 1.633 1.00 94.18 22 A 1 ATOM 174 C CG . ARG A 1 22 ? -19.233 -8.037 1.717 1.00 86.73 22 A 1 ATOM 175 C CD . ARG A 1 22 ? -19.358 -8.482 3.179 1.00 81.67 22 A 1 ATOM 176 N NE . ARG A 1 22 ? -19.275 -9.946 3.317 1.00 73.06 22 A 1 ATOM 177 C CZ . ARG A 1 22 ? -19.151 -10.614 4.450 1.00 65.98 22 A 1 ATOM 178 N NH1 . ARG A 1 22 ? -19.081 -10.010 5.606 1.00 59.88 22 A 1 ATOM 179 N NH2 . ARG A 1 22 ? -19.092 -11.917 4.448 1.00 55.59 22 A 1 ATOM 180 N N . THR A 1 23 ? -18.716 -3.628 0.498 1.00 94.99 23 A 1 ATOM 181 C CA . THR A 1 23 ? -18.988 -2.186 0.650 1.00 95.08 23 A 1 ATOM 182 C C . THR A 1 23 ? -18.729 -1.395 -0.631 1.00 95.43 23 A 1 ATOM 183 O O . THR A 1 23 ? -19.185 -0.265 -0.753 1.00 94.12 23 A 1 ATOM 184 C CB . THR A 1 23 ? -18.166 -1.582 1.800 1.00 94.83 23 A 1 ATOM 185 O OG1 . THR A 1 23 ? -16.794 -1.734 1.525 1.00 93.37 23 A 1 ATOM 186 C CG2 . THR A 1 23 ? -18.441 -2.266 3.141 1.00 90.92 23 A 1 ATOM 187 N N . GLY A 1 24 ? -17.999 -1.976 -1.579 1.00 95.08 24 A 1 ATOM 188 C CA . GLY A 1 24 ? -17.580 -1.298 -2.806 1.00 94.91 24 A 1 ATOM 189 C C . GLY A 1 24 ? -16.501 -0.230 -2.607 1.00 95.80 24 A 1 ATOM 190 O O . GLY A 1 24 ? -16.049 0.331 -3.611 1.00 94.78 24 A 1 ATOM 191 N N . LYS A 1 25 ? -16.076 0.011 -1.358 1.00 96.03 25 A 1 ATOM 192 C CA . LYS A 1 25 ? -15.021 0.966 -0.992 1.00 96.51 25 A 1 ATOM 193 C C . LYS A 1 25 ? -13.638 0.456 -1.397 1.00 96.47 25 A 1 ATOM 194 O O . LYS A 1 25 ? -13.463 -0.727 -1.694 1.00 96.01 25 A 1 ATOM 195 C CB . LYS A 1 25 ? -15.080 1.287 0.506 1.00 96.59 25 A 1 ATOM 196 C CG . LYS A 1 25 ? -16.398 1.952 0.920 1.00 95.87 25 A 1 ATOM 197 C CD . LYS A 1 25 ? -16.275 2.574 2.310 1.00 92.43 25 A 1 ATOM 198 C CE . LYS A 1 25 ? -17.585 3.253 2.725 1.00 89.35 25 A 1 ATOM 199 N NZ . LYS A 1 25 ? -17.327 4.585 3.321 1.00 81.07 25 A 1 ATOM 200 N N . PHE A 1 26 ? -12.652 1.334 -1.376 1.00 96.21 26 A 1 ATOM 201 C CA . PHE A 1 26 ? -11.271 1.046 -1.744 1.00 96.08 26 A 1 ATOM 202 C C . PHE A 1 26 ? -10.398 0.983 -0.492 1.00 96.36 26 A 1 ATOM 203 O O . PHE A 1 26 ? -10.345 1.929 0.283 1.00 96.16 26 A 1 ATOM 204 C CB . PHE A 1 26 ? -10.789 2.098 -2.743 1.00 95.63 26 A 1 ATOM 205 C CG . PHE A 1 26 ? -11.620 2.125 -4.010 1.00 95.45 26 A 1 ATOM 206 C CD1 . PHE A 1 26 ? -11.361 1.206 -5.041 1.00 93.62 26 A 1 ATOM 207 C CD2 . PHE A 1 26 ? -12.688 3.037 -4.138 1.00 94.36 26 A 1 ATOM 208 C CE1 . PHE A 1 26 ? -12.151 1.210 -6.204 1.00 93.43 26 A 1 ATOM 209 C CE2 . PHE A 1 26 ? -13.481 3.038 -5.296 1.00 93.51 26 A 1 ATOM 210 C CZ . PHE A 1 26 ? -13.210 2.126 -6.336 1.00 93.28 26 A 1 ATOM 211 N N . GLU A 1 27 ? -9.726 -0.146 -0.291 1.00 95.98 27 A 1 ATOM 212 C CA . GLU A 1 27 ? -8.828 -0.375 0.837 1.00 95.96 27 A 1 ATOM 213 C C . GLU A 1 27 ? -7.381 -0.250 0.372 1.00 95.97 27 A 1 ATOM 214 O O . GLU A 1 27 ? -6.962 -0.942 -0.562 1.00 95.57 27 A 1 ATOM 215 C CB . GLU A 1 27 ? -9.076 -1.752 1.455 1.00 95.75 27 A 1 ATOM 216 C CG . GLU A 1 27 ? -10.463 -1.863 2.093 1.00 94.54 27 A 1 ATOM 217 C CD . GLU A 1 27 ? -10.703 -3.223 2.751 1.00 93.03 27 A 1 ATOM 218 O OE1 . GLU A 1 27 ? -11.533 -3.273 3.685 1.00 87.36 27 A 1 ATOM 219 O OE2 . GLU A 1 27 ? -10.110 -4.231 2.289 1.00 88.44 27 A 1 ATOM 220 N N . ALA A 1 28 ? -6.632 0.622 1.030 1.00 96.14 28 A 1 ATOM 221 C CA . ALA A 1 28 ? -5.206 0.791 0.838 1.00 95.70 28 A 1 ATOM 222 C C . ALA A 1 28 ? -4.429 -0.139 1.779 1.00 95.64 28 A 1 ATOM 223 O O . ALA A 1 28 ? -4.738 -0.247 2.968 1.00 95.03 28 A 1 ATOM 224 C CB . ALA A 1 28 ? -4.850 2.265 1.060 1.00 94.99 28 A 1 ATOM 225 N N . TYR A 1 29 ? -3.408 -0.799 1.228 1.00 95.50 29 A 1 ATOM 226 C CA . TYR A 1 29 ? -2.474 -1.643 1.962 1.00 95.51 29 A 1 ATOM 227 C C . TYR A 1 29 ? -1.051 -1.222 1.634 1.00 95.27 29 A 1 ATOM 228 O O . TYR A 1 29 ? -0.729 -1.000 0.464 1.00 94.39 29 A 1 ATOM 229 C CB . TYR A 1 29 ? -2.682 -3.113 1.605 1.00 95.47 29 A 1 ATOM 230 C CG . TYR A 1 29 ? -3.993 -3.706 2.076 1.00 95.72 29 A 1 ATOM 231 C CD1 . TYR A 1 29 ? -4.046 -4.410 3.297 1.00 93.41 29 A 1 ATOM 232 C CD2 . TYR A 1 29 ? -5.165 -3.548 1.306 1.00 93.94 29 A 1 ATOM 233 C CE1 . TYR A 1 29 ? -5.264 -4.952 3.751 1.00 92.92 29 A 1 ATOM 234 C CE2 . TYR A 1 29 ? -6.387 -4.079 1.761 1.00 93.42 29 A 1 ATOM 235 C CZ . TYR A 1 29 ? -6.436 -4.782 2.988 1.00 94.32 29 A 1 ATOM 236 O OH . TYR A 1 29 ? -7.618 -5.290 3.444 1.00 93.10 29 A 1 ATOM 237 N N . ILE A 1 30 ? -0.204 -1.187 2.662 1.00 95.12 30 A 1 ATOM 238 C CA . ILE A 1 30 ? 1.236 -0.947 2.540 1.00 94.57 30 A 1 ATOM 239 C C . ILE A 1 30 ? 2.007 -2.137 3.103 1.00 94.55 30 A 1 ATOM 240 O O . ILE A 1 30 ? 1.520 -2.865 3.972 1.00 94.06 30 A 1 ATOM 241 C CB . ILE A 1 30 ? 1.660 0.392 3.188 1.00 93.15 30 A 1 ATOM 242 C CG1 . ILE A 1 30 ? 1.402 0.425 4.707 1.00 83.05 30 A 1 ATOM 243 C CG2 . ILE A 1 30 ? 0.958 1.555 2.467 1.00 82.64 30 A 1 ATOM 244 C CD1 . ILE A 1 30 ? 2.046 1.622 5.415 1.00 79.48 30 A 1 ATOM 245 N N . ARG A 1 31 ? 3.213 -2.365 2.587 1.00 93.29 31 A 1 ATOM 246 C CA . ARG A 1 31 ? 4.153 -3.383 3.058 1.00 92.98 31 A 1 ATOM 247 C C . ARG A 1 31 ? 5.548 -2.776 3.124 1.00 92.26 31 A 1 ATOM 248 O O . ARG A 1 31 ? 6.234 -2.787 2.100 1.00 91.58 31 A 1 ATOM 249 C CB . ARG A 1 31 ? 4.087 -4.608 2.142 1.00 92.59 31 A 1 ATOM 250 C CG . ARG A 1 31 ? 5.026 -5.707 2.655 1.00 91.01 31 A 1 ATOM 251 C CD . ARG A 1 31 ? 4.906 -6.985 1.819 1.00 89.57 31 A 1 ATOM 252 N NE . ARG A 1 31 ? 5.550 -6.860 0.501 1.00 83.67 31 A 1 ATOM 253 C CZ . ARG A 1 31 ? 5.914 -7.868 -0.273 1.00 79.86 31 A 1 ATOM 254 N NH1 . ARG A 1 31 ? 5.666 -9.105 0.053 1.00 75.04 31 A 1 ATOM 255 N NH2 . ARG A 1 31 ? 6.548 -7.665 -1.381 1.00 71.96 31 A 1 ATOM 256 N N . PRO A 1 32 ? 5.965 -2.240 4.284 1.00 91.10 32 A 1 ATOM 257 C CA . PRO A 1 32 ? 7.339 -1.797 4.494 1.00 90.00 32 A 1 ATOM 258 C C . PRO A 1 32 ? 8.336 -2.926 4.222 1.00 90.13 32 A 1 ATOM 259 O O . PRO A 1 32 ? 8.010 -4.112 4.324 1.00 88.57 32 A 1 ATOM 260 C CB . PRO A 1 32 ? 7.414 -1.306 5.942 1.00 88.00 32 A 1 ATOM 261 C CG . PRO A 1 32 ? 5.971 -0.958 6.275 1.00 87.01 32 A 1 ATOM 262 C CD . PRO A 1 32 ? 5.183 -2.000 5.491 1.00 89.18 32 A 1 ATOM 263 N N . MET A 1 33 ? 9.554 -2.569 3.828 1.00 87.53 33 A 1 ATOM 264 C CA . MET A 1 33 ? 10.589 -3.537 3.490 1.00 85.56 33 A 1 ATOM 265 C C . MET A 1 33 ? 10.885 -4.464 4.682 1.00 86.01 33 A 1 ATOM 266 O O . MET A 1 33 ? 11.173 -4.015 5.781 1.00 83.40 33 A 1 ATOM 267 C CB . MET A 1 33 ? 11.843 -2.788 3.020 1.00 81.91 33 A 1 ATOM 268 C CG . MET A 1 33 ? 12.859 -3.734 2.375 1.00 71.76 33 A 1 ATOM 269 S SD . MET A 1 33 ? 14.298 -2.867 1.704 1.00 64.53 33 A 1 ATOM 270 C CE . MET A 1 33 ? 15.172 -4.237 0.918 1.00 57.91 33 A 1 ATOM 271 N N . GLY A 1 34 ? 10.810 -5.783 4.457 1.00 84.99 34 A 1 ATOM 272 C CA . GLY A 1 34 ? 11.005 -6.790 5.508 1.00 85.06 34 A 1 ATOM 273 C C . GLY A 1 34 ? 9.774 -7.095 6.368 1.00 87.09 34 A 1 ATOM 274 O O . GLY A 1 34 ? 9.829 -8.019 7.179 1.00 85.12 34 A 1 ATOM 275 N N . GLU A 1 35 ? 8.643 -6.412 6.156 1.00 86.52 35 A 1 ATOM 276 C CA . GLU A 1 35 ? 7.408 -6.609 6.919 1.00 88.67 35 A 1 ATOM 277 C C . GLU A 1 35 ? 6.279 -7.257 6.098 1.00 91.31 35 A 1 ATOM 278 O O . GLU A 1 35 ? 6.360 -7.474 4.882 1.00 90.68 35 A 1 ATOM 279 C CB . GLU A 1 35 ? 6.963 -5.287 7.556 1.00 86.32 35 A 1 ATOM 280 C CG . GLU A 1 35 ? 7.980 -4.760 8.579 1.00 81.77 35 A 1 ATOM 281 C CD . GLU A 1 35 ? 7.411 -3.639 9.459 1.00 77.45 35 A 1 ATOM 282 O OE1 . GLU A 1 35 ? 8.224 -2.995 10.154 1.00 68.85 35 A 1 ATOM 283 O OE2 . GLU A 1 35 ? 6.167 -3.482 9.477 1.00 68.63 35 A 1 ATOM 284 N N . GLY A 1 36 ? 5.182 -7.616 6.786 1.00 89.78 36 A 1 ATOM 285 C CA . GLY A 1 36 ? 3.953 -8.107 6.161 1.00 90.88 36 A 1 ATOM 286 C C . GLY A 1 36 ? 3.075 -6.980 5.612 1.00 92.31 36 A 1 ATOM 287 O O . GLY A 1 36 ? 3.289 -5.806 5.884 1.00 91.24 36 A 1 ATOM 288 N N . TRP A 1 37 ? 2.032 -7.354 4.853 1.00 92.74 37 A 1 ATOM 289 C CA . TRP A 1 37 ? 1.019 -6.395 4.403 1.00 93.80 37 A 1 ATOM 290 C C . TRP A 1 37 ? 0.232 -5.838 5.590 1.00 93.81 37 A 1 ATOM 291 O O . TRP A 1 37 ? -0.392 -6.598 6.332 1.00 92.03 37 A 1 ATOM 292 C CB . TRP A 1 37 ? 0.062 -7.053 3.402 1.00 93.20 37 A 1 ATOM 293 C CG . TRP A 1 37 ? 0.629 -7.236 2.032 1.00 93.34 37 A 1 ATOM 294 C CD1 . TRP A 1 37 ? 1.102 -8.391 1.515 1.00 91.67 37 A 1 ATOM 295 C CD2 . TRP A 1 37 ? 0.830 -6.227 1.002 1.00 93.54 37 A 1 ATOM 296 N NE1 . TRP A 1 37 ? 1.583 -8.167 0.242 1.00 91.47 37 A 1 ATOM 297 C CE2 . TRP A 1 37 ? 1.452 -6.844 -0.124 1.00 92.71 37 A 1 ATOM 298 C CE3 . TRP A 1 37 ? 0.573 -4.840 0.914 1.00 92.79 37 A 1 ATOM 299 C CZ2 . TRP A 1 37 ? 1.818 -6.125 -1.270 1.00 92.10 37 A 1 ATOM 300 C CZ3 . TRP A 1 37 ? 0.930 -4.114 -0.234 1.00 92.87 37 A 1 ATOM 301 C CH2 . TRP A 1 37 ? 1.555 -4.746 -1.324 1.00 92.06 37 A 1 ATOM 302 N N . MET A 1 38 ? 0.172 -4.513 5.691 1.00 94.46 38 A 1 ATOM 303 C CA . MET A 1 38 ? -0.600 -3.786 6.691 1.00 93.51 38 A 1 ATOM 304 C C . MET A 1 38 ? -1.729 -3.007 6.031 1.00 94.64 38 A 1 ATOM 305 O O . MET A 1 38 ? -1.566 -2.417 4.962 1.00 93.76 38 A 1 ATOM 306 C CB . MET A 1 38 ? 0.321 -2.870 7.498 1.00 90.03 38 A 1 ATOM 307 C CG . MET A 1 38 ? 1.364 -3.673 8.284 1.00 80.67 38 A 1 ATOM 308 S SD . MET A 1 38 ? 2.232 -2.712 9.539 1.00 76.59 38 A 1 ATOM 309 C CE . MET A 1 38 ? 3.260 -1.656 8.494 1.00 66.10 38 A 1 ATOM 310 N N . TYR A 1 39 ? -2.901 -3.024 6.675 1.00 95.32 39 A 1 ATOM 311 C CA . TYR A 1 39 ? -4.017 -2.182 6.278 1.00 95.37 39 A 1 ATOM 312 C C . TYR A 1 39 ? -3.708 -0.728 6.645 1.00 94.55 39 A 1 ATOM 313 O O . TYR A 1 39 ? -3.366 -0.440 7.789 1.00 93.32 39 A 1 ATOM 314 C CB . TYR A 1 39 ? -5.284 -2.684 6.962 1.00 95.33 39 A 1 ATOM 315 C CG . TYR A 1 39 ? -6.453 -1.732 6.847 1.00 95.35 39 A 1 ATOM 316 C CD1 . TYR A 1 39 ? -6.719 -0.836 7.904 1.00 92.40 39 A 1 ATOM 317 C CD2 . TYR A 1 39 ? -7.251 -1.714 5.690 1.00 92.75 39 A 1 ATOM 318 C CE1 . TYR A 1 39 ? -7.794 0.055 7.816 1.00 91.59 39 A 1 ATOM 319 C CE2 . TYR A 1 39 ? -8.333 -0.823 5.601 1.00 91.90 39 A 1 ATOM 320 C CZ . TYR A 1 39 ? -8.608 0.058 6.675 1.00 93.09 39 A 1 ATOM 321 O OH . TYR A 1 39 ? -9.662 0.907 6.632 1.00 91.79 39 A 1 ATOM 322 N N . TYR A 1 40 ? -3.866 0.187 5.683 1.00 95.21 40 A 1 ATOM 323 C CA . TYR A 1 40 ? -3.583 1.605 5.880 1.00 94.50 40 A 1 ATOM 324 C C . TYR A 1 40 ? -4.859 2.439 6.028 1.00 95.03 40 A 1 ATOM 325 O O . TYR A 1 40 ? -4.947 3.294 6.905 1.00 93.17 40 A 1 ATOM 326 C CB . TYR A 1 40 ? -2.705 2.095 4.725 1.00 92.56 40 A 1 ATOM 327 C CG . TYR A 1 40 ? -2.199 3.506 4.932 1.00 89.68 40 A 1 ATOM 328 C CD1 . TYR A 1 40 ? -2.757 4.579 4.212 1.00 84.58 40 A 1 ATOM 329 C CD2 . TYR A 1 40 ? -1.186 3.748 5.881 1.00 84.71 40 A 1 ATOM 330 C CE1 . TYR A 1 40 ? -2.289 5.889 4.429 1.00 80.77 40 A 1 ATOM 331 C CE2 . TYR A 1 40 ? -0.721 5.056 6.105 1.00 80.85 40 A 1 ATOM 332 C CZ . TYR A 1 40 ? -1.270 6.130 5.375 1.00 80.17 40 A 1 ATOM 333 O OH . TYR A 1 40 ? -0.813 7.394 5.583 1.00 78.73 40 A 1 ATOM 334 N N . GLY A 1 41 ? -5.884 2.171 5.210 1.00 95.65 41 A 1 ATOM 335 C CA . GLY A 1 41 ? -7.141 2.914 5.288 1.00 95.99 41 A 1 ATOM 336 C C . GLY A 1 41 ? -8.188 2.481 4.265 1.00 97.11 41 A 1 ATOM 337 O O . GLY A 1 41 ? -7.890 1.762 3.307 1.00 97.02 41 A 1 ATOM 338 N N . THR A 1 42 ? -9.443 2.917 4.478 1.00 97.35 42 A 1 ATOM 339 C CA . THR A 1 42 ? -10.565 2.734 3.541 1.00 97.79 42 A 1 ATOM 340 C C . THR A 1 42 ? -11.032 4.085 3.008 1.00 98.01 42 A 1 ATOM 341 O O . THR A 1 42 ? -11.265 5.010 3.781 1.00 97.78 42 A 1 ATOM 342 C CB . THR A 1 42 ? -11.746 1.995 4.186 1.00 97.32 42 A 1 ATOM 343 O OG1 . THR A 1 42 ? -11.410 0.672 4.518 1.00 93.95 42 A 1 ATOM 344 C CG2 . THR A 1 42 ? -12.943 1.846 3.252 1.00 93.24 42 A 1 ATOM 345 N N . TYR A 1 43 ? -11.258 4.159 1.708 1.00 97.70 43 A 1 ATOM 346 C CA . TYR A 1 43 ? -11.602 5.373 0.979 1.00 97.72 43 A 1 ATOM 347 C C . TYR A 1 43 ? -12.802 5.135 0.061 1.00 97.84 43 A 1 ATOM 348 O O . TYR A 1 43 ? -13.039 4.017 -0.410 1.00 97.53 43 A 1 ATOM 349 C CB . TYR A 1 43 ? -10.369 5.846 0.198 1.00 97.43 43 A 1 ATOM 350 C CG . TYR A 1 43 ? -9.138 6.022 1.069 1.00 97.32 43 A 1 ATOM 351 C CD1 . TYR A 1 43 ? -8.892 7.253 1.706 1.00 96.07 43 A 1 ATOM 352 C CD2 . TYR A 1 43 ? -8.267 4.935 1.292 1.00 96.39 43 A 1 ATOM 353 C CE1 . TYR A 1 43 ? -7.783 7.402 2.561 1.00 95.50 43 A 1 ATOM 354 C CE2 . TYR A 1 43 ? -7.158 5.079 2.152 1.00 95.74 43 A 1 ATOM 355 C CZ . TYR A 1 43 ? -6.920 6.313 2.787 1.00 95.64 43 A 1 ATOM 356 O OH . TYR A 1 43 ? -5.858 6.453 3.624 1.00 94.14 43 A 1 ATOM 357 N N . ASP A 1 44 ? -13.585 6.182 -0.200 1.00 97.36 44 A 1 ATOM 358 C CA . ASP A 1 44 ? -14.722 6.112 -1.128 1.00 97.06 44 A 1 ATOM 359 C C . ASP A 1 44 ? -14.268 6.200 -2.593 1.00 97.08 44 A 1 ATOM 360 O O . ASP A 1 44 ? -14.941 5.676 -3.486 1.00 96.16 44 A 1 ATOM 361 C CB . ASP A 1 44 ? -15.741 7.207 -0.759 1.00 96.48 44 A 1 ATOM 362 C CG . ASP A 1 44 ? -16.380 6.952 0.617 1.00 94.19 44 A 1 ATOM 363 O OD1 . ASP A 1 44 ? -16.887 5.824 0.859 1.00 87.94 44 A 1 ATOM 364 O OD2 . ASP A 1 44 ? -16.364 7.850 1.478 1.00 87.75 44 A 1 ATOM 365 N N . ASP A 1 45 ? -13.098 6.788 -2.832 1.00 96.19 45 A 1 ATOM 366 C CA . ASP A 1 45 ? -12.511 6.978 -4.151 1.00 95.78 45 A 1 ATOM 367 C C . ASP A 1 45 ? -11.175 6.218 -4.311 1.00 96.14 45 A 1 ATOM 368 O O . ASP A 1 45 ? -10.356 6.146 -3.391 1.00 95.68 45 A 1 ATOM 369 C CB . ASP A 1 45 ? -12.355 8.481 -4.422 1.00 94.04 45 A 1 ATOM 370 C CG . ASP A 1 45 ? -11.777 8.663 -5.818 1.00 86.09 45 A 1 ATOM 371 O OD1 . ASP A 1 45 ? -10.549 8.866 -5.893 1.00 78.97 45 A 1 ATOM 372 O OD2 . ASP A 1 45 ? -12.534 8.414 -6.781 1.00 78.74 45 A 1 ATOM 373 N N . ALA A 1 46 ? -10.974 5.613 -5.488 1.00 95.03 46 A 1 ATOM 374 C CA . ALA A 1 46 ? -9.779 4.824 -5.772 1.00 94.17 46 A 1 ATOM 375 C C . ALA A 1 46 ? -8.525 5.696 -5.904 1.00 94.17 46 A 1 ATOM 376 O O . ALA A 1 46 ? -7.456 5.284 -5.460 1.00 93.77 46 A 1 ATOM 377 C CB . ALA A 1 46 ? -10.005 4.008 -7.053 1.00 93.19 46 A 1 ATOM 378 N N . GLU A 1 47 ? -8.636 6.875 -6.507 1.00 94.29 47 A 1 ATOM 379 C CA . GLU A 1 47 ? -7.483 7.761 -6.690 1.00 93.94 47 A 1 ATOM 380 C C . GLU A 1 47 ? -6.990 8.297 -5.344 1.00 94.17 47 A 1 ATOM 381 O O . GLU A 1 47 ? -5.786 8.334 -5.108 1.00 93.79 47 A 1 ATOM 382 C CB . GLU A 1 47 ? -7.810 8.940 -7.618 1.00 93.05 47 A 1 ATOM 383 C CG . GLU A 1 47 ? -8.186 8.517 -9.040 1.00 82.69 47 A 1 ATOM 384 C CD . GLU A 1 47 ? -8.308 9.703 -10.013 1.00 76.58 47 A 1 ATOM 385 O OE1 . GLU A 1 47 ? -8.507 9.421 -11.220 1.00 67.94 47 A 1 ATOM 386 O OE2 . GLU A 1 47 ? -8.146 10.870 -9.583 1.00 67.55 47 A 1 ATOM 387 N N . GLN A 1 48 ? -7.913 8.632 -4.437 1.00 95.62 48 A 1 ATOM 388 C CA . GLN A 1 48 ? -7.562 9.003 -3.072 1.00 95.52 48 A 1 ATOM 389 C C . GLN A 1 48 ? -6.836 7.858 -2.362 1.00 95.53 48 A 1 ATOM 390 O O . GLN A 1 48 ? -5.769 8.072 -1.799 1.00 95.38 48 A 1 ATOM 391 C CB . GLN A 1 48 ? -8.827 9.419 -2.311 1.00 95.58 48 A 1 ATOM 392 C CG . GLN A 1 48 ? -8.464 10.000 -0.937 1.00 90.52 48 A 1 ATOM 393 C CD . GLN A 1 48 ? -9.676 10.383 -0.097 1.00 86.97 48 A 1 ATOM 394 O OE1 . GLN A 1 48 ? -10.826 10.097 -0.395 1.00 81.70 48 A 1 ATOM 395 N NE2 . GLN A 1 48 ? -9.454 11.035 1.023 1.00 78.93 48 A 1 ATOM 396 N N . ALA A 1 49 ? -7.355 6.626 -2.432 1.00 95.51 49 A 1 ATOM 397 C CA . ALA A 1 49 ? -6.711 5.465 -1.822 1.00 95.07 49 A 1 ATOM 398 C C . ALA A 1 49 ? -5.280 5.242 -2.345 1.00 94.68 49 A 1 ATOM 399 O O . ALA A 1 49 ? -4.387 4.905 -1.570 1.00 94.41 49 A 1 ATOM 400 C CB . ALA A 1 49 ? -7.584 4.228 -2.074 1.00 95.30 49 A 1 ATOM 401 N N . TYR A 1 50 ? -5.048 5.431 -3.652 1.00 95.18 50 A 1 ATOM 402 C CA . TYR A 1 50 ? -3.712 5.319 -4.244 1.00 94.26 50 A 1 ATOM 403 C C . TYR A 1 50 ? -2.775 6.431 -3.781 1.00 94.06 50 A 1 ATOM 404 O O . TYR A 1 50 ? -1.648 6.123 -3.410 1.00 93.47 50 A 1 ATOM 405 C CB . TYR A 1 50 ? -3.796 5.289 -5.776 1.00 92.96 50 A 1 ATOM 406 C CG . TYR A 1 50 ? -3.965 3.890 -6.330 1.00 85.47 50 A 1 ATOM 407 C CD1 . TYR A 1 50 ? -2.888 2.983 -6.277 1.00 77.39 50 A 1 ATOM 408 C CD2 . TYR A 1 50 ? -5.190 3.488 -6.885 1.00 77.06 50 A 1 ATOM 409 C CE1 . TYR A 1 50 ? -3.045 1.672 -6.762 1.00 72.05 50 A 1 ATOM 410 C CE2 . TYR A 1 50 ? -5.351 2.178 -7.373 1.00 71.20 50 A 1 ATOM 411 C CZ . TYR A 1 50 ? -4.280 1.266 -7.307 1.00 72.03 50 A 1 ATOM 412 O OH . TYR A 1 50 ? -4.442 -0.001 -7.765 1.00 69.17 50 A 1 ATOM 413 N N . LYS A 1 51 ? -3.226 7.692 -3.755 1.00 93.98 51 A 1 ATOM 414 C CA . LYS A 1 51 ? -2.400 8.825 -3.307 1.00 93.76 51 A 1 ATOM 415 C C . LYS A 1 51 ? -1.936 8.660 -1.863 1.00 93.83 51 A 1 ATOM 416 O O . LYS A 1 51 ? -0.773 8.888 -1.559 1.00 93.61 51 A 1 ATOM 417 C CB . LYS A 1 51 ? -3.188 10.133 -3.440 1.00 93.42 51 A 1 ATOM 418 C CG . LYS A 1 51 ? -3.275 10.596 -4.899 1.00 83.88 51 A 1 ATOM 419 C CD . LYS A 1 51 ? -4.150 11.848 -4.986 1.00 82.41 51 A 1 ATOM 420 C CE . LYS A 1 51 ? -4.246 12.295 -6.446 1.00 72.78 51 A 1 ATOM 421 N NZ . LYS A 1 51 ? -5.151 13.454 -6.590 1.00 65.93 51 A 1 ATOM 422 N N . GLU A 1 52 ? -2.833 8.222 -0.986 1.00 94.70 52 A 1 ATOM 423 C CA . GLU A 1 52 ? -2.501 8.002 0.422 1.00 94.33 52 A 1 ATOM 424 C C . GLU A 1 52 ? -1.531 6.823 0.592 1.00 93.96 52 A 1 ATOM 425 O O . GLU A 1 52 ? -0.557 6.914 1.337 1.00 93.06 52 A 1 ATOM 426 C CB . GLU A 1 52 ? -3.794 7.750 1.203 1.00 94.56 52 A 1 ATOM 427 C CG . GLU A 1 52 ? -4.720 8.978 1.267 1.00 91.53 52 A 1 ATOM 428 C CD . GLU A 1 52 ? -4.177 10.149 2.094 1.00 89.34 52 A 1 ATOM 429 O OE1 . GLU A 1 52 ? -4.672 11.277 1.859 1.00 80.98 52 A 1 ATOM 430 O OE2 . GLU A 1 52 ? -3.333 9.905 2.982 1.00 81.51 52 A 1 ATOM 431 N N . ALA A 1 53 ? -1.748 5.714 -0.137 1.00 94.57 53 A 1 ATOM 432 C CA . ALA A 1 53 ? -0.843 4.568 -0.112 1.00 93.85 53 A 1 ATOM 433 C C . ALA A 1 53 ? 0.548 4.903 -0.685 1.00 93.35 53 A 1 ATOM 434 O O . ALA A 1 53 ? 1.558 4.464 -0.136 1.00 92.81 53 A 1 ATOM 435 C CB . ALA A 1 53 ? -1.495 3.419 -0.889 1.00 93.71 53 A 1 ATOM 436 N N . GLU A 1 54 ? 0.605 5.670 -1.769 1.00 93.64 54 A 1 ATOM 437 C CA . GLU A 1 54 ? 1.847 6.143 -2.392 1.00 93.13 54 A 1 ATOM 438 C C . GLU A 1 54 ? 2.617 7.063 -1.443 1.00 92.69 54 A 1 ATOM 439 O O . GLU A 1 54 ? 3.782 6.797 -1.156 1.00 92.00 54 A 1 ATOM 440 C CB . GLU A 1 54 ? 1.495 6.829 -3.719 1.00 92.27 54 A 1 ATOM 441 C CG . GLU A 1 54 ? 2.704 7.342 -4.518 1.00 88.48 54 A 1 ATOM 442 C CD . GLU A 1 54 ? 2.271 7.707 -5.949 1.00 86.28 54 A 1 ATOM 443 O OE1 . GLU A 1 54 ? 2.832 7.117 -6.903 1.00 78.61 54 A 1 ATOM 444 O OE2 . GLU A 1 54 ? 1.299 8.480 -6.103 1.00 79.87 54 A 1 ATOM 445 N N . SER A 1 55 ? 1.941 8.052 -0.844 1.00 93.10 55 A 1 ATOM 446 C CA . SER A 1 55 ? 2.568 8.964 0.121 1.00 92.62 55 A 1 ATOM 447 C C . SER A 1 55 ? 3.138 8.219 1.335 1.00 92.12 55 A 1 ATOM 448 O O . SER A 1 55 ? 4.231 8.525 1.813 1.00 90.99 55 A 1 ATOM 449 C CB . SER A 1 55 ? 1.554 10.003 0.616 1.00 92.19 55 A 1 ATOM 450 O OG . SER A 1 55 ? 1.018 10.759 -0.454 1.00 80.29 55 A 1 ATOM 451 N N . ALA A 1 56 ? 2.434 7.191 1.832 1.00 92.08 56 A 1 ATOM 452 C CA . ALA A 1 56 ? 2.921 6.354 2.930 1.00 91.08 56 A 1 ATOM 453 C C . ALA A 1 56 ? 4.138 5.498 2.527 1.00 90.59 56 A 1 ATOM 454 O O . ALA A 1 56 ? 5.057 5.303 3.329 1.00 89.55 56 A 1 ATOM 455 C CB . ALA A 1 56 ? 1.762 5.477 3.411 1.00 90.89 56 A 1 ATOM 456 N N . ALA A 1 57 ? 4.163 4.993 1.289 1.00 90.97 57 A 1 ATOM 457 C CA . ALA A 1 57 ? 5.295 4.243 0.755 1.00 90.15 57 A 1 ATOM 458 C C . ALA A 1 57 ? 6.525 5.142 0.541 1.00 89.25 57 A 1 ATOM 459 O O . ALA A 1 57 ? 7.631 4.754 0.921 1.00 87.90 57 A 1 ATOM 460 C CB . ALA A 1 57 ? 4.851 3.544 -0.535 1.00 90.12 57 A 1 ATOM 461 N N . GLU A 1 58 ? 6.344 6.357 0.038 1.00 88.99 58 A 1 ATOM 462 C CA . GLU A 1 58 ? 7.408 7.360 -0.104 1.00 88.18 58 A 1 ATOM 463 C C . GLU A 1 58 ? 7.996 7.765 1.255 1.00 87.30 58 A 1 ATOM 464 O O . GLU A 1 58 ? 9.214 7.830 1.414 1.00 85.73 58 A 1 ATOM 465 C CB . GLU A 1 58 ? 6.861 8.616 -0.797 1.00 87.88 58 A 1 ATOM 466 C CG . GLU A 1 58 ? 6.577 8.411 -2.295 1.00 85.39 58 A 1 ATOM 467 C CD . GLU A 1 58 ? 6.059 9.693 -2.975 1.00 82.72 58 A 1 ATOM 468 O OE1 . GLU A 1 58 ? 6.107 9.741 -4.225 1.00 75.67 58 A 1 ATOM 469 O OE2 . GLU A 1 58 ? 5.642 10.634 -2.256 1.00 76.41 58 A 1 ATOM 470 N N . ALA A 1 59 ? 7.151 7.971 2.271 1.00 88.88 59 A 1 ATOM 471 C CA . ALA A 1 59 ? 7.623 8.250 3.628 1.00 87.42 59 A 1 ATOM 472 C C . ALA A 1 59 ? 8.489 7.100 4.176 1.00 86.35 59 A 1 ATOM 473 O O . ALA A 1 59 ? 9.534 7.338 4.782 1.00 83.60 59 A 1 ATOM 474 C CB . ALA A 1 59 ? 6.411 8.522 4.527 1.00 86.67 59 A 1 ATOM 475 N N . SER A 1 60 ? 8.094 5.841 3.902 1.00 83.45 60 A 1 ATOM 476 C CA . SER A 1 60 ? 8.876 4.658 4.281 1.00 81.78 60 A 1 ATOM 477 C C . SER A 1 60 ? 10.199 4.574 3.508 1.00 80.40 60 A 1 ATOM 478 O O . SER A 1 60 ? 11.218 4.181 4.074 1.00 78.09 60 A 1 ATOM 479 C CB . SER A 1 60 ? 8.061 3.380 4.059 1.00 81.17 60 A 1 ATOM 480 O OG . SER A 1 60 ? 6.837 3.427 4.768 1.00 72.45 60 A 1 ATOM 481 N N . GLU A 1 61 ? 10.229 4.979 2.237 1.00 76.86 61 A 1 ATOM 482 C CA . GLU A 1 61 ? 11.454 5.065 1.429 1.00 76.28 61 A 1 ATOM 483 C C . GLU A 1 61 ? 12.444 6.090 2.001 1.00 76.52 61 A 1 ATOM 484 O O . GLU A 1 61 ? 13.642 5.807 2.101 1.00 75.61 61 A 1 ATOM 485 C CB . GLU A 1 61 ? 11.097 5.413 -0.027 1.00 75.04 61 A 1 ATOM 486 C CG . GLU A 1 61 ? 12.351 5.460 -0.914 1.00 67.28 61 A 1 ATOM 487 C CD . GLU A 1 61 ? 12.085 5.723 -2.401 1.00 65.86 61 A 1 ATOM 488 O OE1 . GLU A 1 61 ? 13.072 6.098 -3.082 1.00 60.87 61 A 1 ATOM 489 O OE2 . GLU A 1 61 ? 10.954 5.491 -2.876 1.00 62.67 61 A 1 ATOM 490 N N . ILE A 1 62 ? 11.955 7.268 2.397 1.00 81.17 62 A 1 ATOM 491 C CA . ILE A 1 62 ? 12.780 8.316 3.007 1.00 80.41 62 A 1 ATOM 492 C C . ILE A 1 62 ? 13.425 7.790 4.294 1.00 78.99 62 A 1 ATOM 493 O O . ILE A 1 62 ? 14.640 7.901 4.452 1.00 76.56 62 A 1 ATOM 494 C CB . ILE A 1 62 ? 11.937 9.593 3.236 1.00 79.97 62 A 1 ATOM 495 C CG1 . ILE A 1 62 ? 11.564 10.235 1.877 1.00 75.59 62 A 1 ATOM 496 C CG2 . ILE A 1 62 ? 12.691 10.615 4.104 1.00 74.55 62 A 1 ATOM 497 C CD1 . ILE A 1 62 ? 10.469 11.300 1.977 1.00 68.34 62 A 1 ATOM 498 N N . MET A 1 63 ? 12.650 7.149 5.170 1.00 77.59 63 A 1 ATOM 499 C CA . MET A 1 63 ? 13.176 6.562 6.412 1.00 75.88 63 A 1 ATOM 500 C C . MET A 1 63 ? 14.246 5.499 6.132 1.00 75.65 63 A 1 ATOM 501 O O . MET A 1 63 ? 15.331 5.556 6.710 1.00 74.02 63 A 1 ATOM 502 C CB . MET A 1 63 ? 12.021 5.969 7.237 1.00 74.02 63 A 1 ATOM 503 C CG . MET A 1 63 ? 11.064 7.046 7.771 1.00 67.87 63 A 1 ATOM 504 S SD . MET A 1 63 ? 11.759 8.260 8.930 1.00 61.25 63 A 1 ATOM 505 C CE . MET A 1 63 ? 12.137 7.191 10.337 1.00 54.30 63 A 1 ATOM 506 N N . ALA A 1 64 ? 13.999 4.587 5.181 1.00 75.28 64 A 1 ATOM 507 C CA . ALA A 1 64 ? 14.966 3.555 4.805 1.00 73.59 64 A 1 ATOM 508 C C . ALA A 1 64 ? 16.281 4.134 4.249 1.00 73.64 64 A 1 ATOM 509 O O . ALA A 1 64 ? 17.345 3.555 4.457 1.00 72.30 64 A 1 ATOM 510 C CB . ALA A 1 64 ? 14.301 2.623 3.783 1.00 71.71 64 A 1 ATOM 511 N N . ARG A 1 65 ? 16.235 5.274 3.548 1.00 75.00 65 A 1 ATOM 512 C CA . ARG A 1 65 ? 17.444 5.975 3.084 1.00 74.29 65 A 1 ATOM 513 C C . ARG A 1 65 ? 18.259 6.558 4.237 1.00 73.29 65 A 1 ATOM 514 O O . ARG A 1 65 ? 19.473 6.382 4.241 1.00 72.04 65 A 1 ATOM 515 C CB . ARG A 1 65 ? 17.074 7.082 2.088 1.00 74.29 65 A 1 ATOM 516 C CG . ARG A 1 65 ? 16.921 6.526 0.670 1.00 67.38 65 A 1 ATOM 517 C CD . ARG A 1 65 ? 16.565 7.676 -0.277 1.00 66.16 65 A 1 ATOM 518 N NE . ARG A 1 65 ? 16.870 7.333 -1.677 1.00 60.75 65 A 1 ATOM 519 C CZ . ARG A 1 65 ? 16.884 8.181 -2.686 1.00 56.08 65 A 1 ATOM 520 N NH1 . ARG A 1 65 ? 16.541 9.428 -2.540 1.00 51.57 65 A 1 ATOM 521 N NH2 . ARG A 1 65 ? 17.258 7.789 -3.871 1.00 48.27 65 A 1 ATOM 522 N N . TYR A 1 66 ? 17.610 7.204 5.201 1.00 74.50 66 A 1 ATOM 523 C CA . TYR A 1 66 ? 18.311 7.788 6.348 1.00 73.47 66 A 1 ATOM 524 C C . TYR A 1 66 ? 18.962 6.728 7.246 1.00 72.81 66 A 1 ATOM 525 O O . TYR A 1 66 ? 20.102 6.922 7.666 1.00 69.09 66 A 1 ATOM 526 C CB . TYR A 1 66 ? 17.355 8.683 7.143 1.00 72.55 66 A 1 ATOM 527 C CG . TYR A 1 66 ? 17.109 10.035 6.497 1.00 69.09 66 A 1 ATOM 528 C CD1 . TYR A 1 66 ? 18.165 10.966 6.403 1.00 65.08 66 A 1 ATOM 529 C CD2 . TYR A 1 66 ? 15.841 10.372 5.996 1.00 65.20 66 A 1 ATOM 530 C CE1 . TYR A 1 66 ? 17.952 12.220 5.799 1.00 60.27 66 A 1 ATOM 531 C CE2 . TYR A 1 66 ? 15.623 11.626 5.390 1.00 60.44 66 A 1 ATOM 532 C CZ . TYR A 1 66 ? 16.680 12.550 5.288 1.00 60.25 66 A 1 ATOM 533 O OH . TYR A 1 66 ? 16.471 13.757 4.694 1.00 58.92 66 A 1 ATOM 534 N N . ASP A 1 67 ? 18.326 5.571 7.450 1.00 71.05 67 A 1 ATOM 535 C CA . ASP A 1 67 ? 18.914 4.460 8.216 1.00 71.15 67 A 1 ATOM 536 C C . ASP A 1 67 ? 20.197 3.900 7.566 1.00 70.19 67 A 1 ATOM 537 O O . ASP A 1 67 ? 21.106 3.437 8.260 1.00 67.61 67 A 1 ATOM 538 C CB . ASP A 1 67 ? 17.876 3.331 8.367 1.00 68.64 67 A 1 ATOM 539 C CG . ASP A 1 67 ? 16.765 3.608 9.395 1.00 61.93 67 A 1 ATOM 540 O OD1 . ASP A 1 67 ? 16.956 4.467 10.286 1.00 58.18 67 A 1 ATOM 541 O OD2 . ASP A 1 67 ? 15.733 2.898 9.318 1.00 57.83 67 A 1 ATOM 542 N N . VAL A 1 68 ? 20.305 3.942 6.228 1.00 64.94 68 A 1 ATOM 543 C CA . VAL A 1 68 ? 21.520 3.530 5.502 1.00 64.78 68 A 1 ATOM 544 C C . VAL A 1 68 ? 22.633 4.574 5.648 1.00 64.34 68 A 1 ATOM 545 O O . VAL A 1 68 ? 23.790 4.201 5.848 1.00 60.51 68 A 1 ATOM 546 C CB . VAL A 1 68 ? 21.202 3.227 4.024 1.00 61.71 68 A 1 ATOM 547 C CG1 . VAL A 1 68 ? 22.461 2.945 3.187 1.00 55.04 68 A 1 ATOM 548 C CG2 . VAL A 1 68 ? 20.313 1.976 3.906 1.00 56.71 68 A 1 ATOM 549 N N . ASP A 1 69 ? 22.318 5.864 5.587 1.00 64.65 69 A 1 ATOM 550 C CA . ASP A 1 69 ? 23.315 6.937 5.698 1.00 67.33 69 A 1 ATOM 551 C C . ASP A 1 69 ? 23.942 7.009 7.107 1.00 65.86 69 A 1 ATOM 552 O O . ASP A 1 69 ? 25.159 7.174 7.233 1.00 63.28 69 A 1 ATOM 553 C CB . ASP A 1 69 ? 22.691 8.284 5.271 1.00 65.88 69 A 1 ATOM 554 C CG . ASP A 1 69 ? 22.505 8.445 3.748 1.00 61.20 69 A 1 ATOM 555 O OD1 . ASP A 1 69 ? 23.222 7.764 2.970 1.00 57.88 69 A 1 ATOM 556 O OD2 . ASP A 1 69 ? 21.681 9.302 3.342 1.00 56.54 69 A 1 ATOM 557 N N . ASP A 1 70 ? 23.161 6.779 8.164 1.00 61.17 70 A 1 ATOM 558 C CA . ASP A 1 70 ? 23.666 6.728 9.549 1.00 63.42 70 A 1 ATOM 559 C C . ASP A 1 70 ? 24.624 5.546 9.795 1.00 61.40 70 A 1 ATOM 560 O O . ASP A 1 70 ? 25.551 5.650 10.603 1.00 58.87 70 A 1 ATOM 561 C CB . ASP A 1 70 ? 22.485 6.684 10.542 1.00 61.21 70 A 1 ATOM 562 C CG . ASP A 1 70 ? 21.998 8.064 11.026 1.00 56.24 70 A 1 ATOM 563 O OD1 . ASP A 1 70 ? 22.646 9.091 10.711 1.00 54.11 70 A 1 ATOM 564 O OD2 . ASP A 1 70 ? 21.000 8.084 11.788 1.00 52.27 70 A 1 ATOM 565 N N . TYR A 1 71 ? 24.471 4.423 9.066 1.00 59.12 71 A 1 ATOM 566 C CA . TYR A 1 71 ? 25.377 3.270 9.175 1.00 59.81 71 A 1 ATOM 567 C C . TYR A 1 71 ? 26.783 3.552 8.613 1.00 57.77 71 A 1 ATOM 568 O O . TYR A 1 71 ? 27.767 2.985 9.091 1.00 55.15 71 A 1 ATOM 569 C CB . TYR A 1 71 ? 24.733 2.058 8.483 1.00 58.02 71 A 1 ATOM 570 C CG . TYR A 1 71 ? 25.476 0.757 8.724 1.00 53.51 71 A 1 ATOM 571 C CD1 . TYR A 1 71 ? 26.427 0.290 7.793 1.00 50.86 71 A 1 ATOM 572 C CD2 . TYR A 1 71 ? 25.233 0.018 9.903 1.00 49.20 71 A 1 ATOM 573 C CE1 . TYR A 1 71 ? 27.127 -0.908 8.036 1.00 45.09 71 A 1 ATOM 574 C CE2 . TYR A 1 71 ? 25.934 -1.179 10.148 1.00 46.31 71 A 1 ATOM 575 C CZ . TYR A 1 71 ? 26.881 -1.643 9.215 1.00 44.38 71 A 1 ATOM 576 O OH . TYR A 1 71 ? 27.563 -2.800 9.452 1.00 43.52 71 A 1 ATOM 577 N N . TYR A 1 72 ? 26.905 4.427 7.612 1.00 58.52 72 A 1 ATOM 578 C CA . TYR A 1 72 ? 28.197 4.790 7.007 1.00 61.14 72 A 1 ATOM 579 C C . TYR A 1 72 ? 28.894 5.982 7.692 1.00 58.22 72 A 1 ATOM 580 O O . TYR A 1 72 ? 30.058 6.254 7.385 1.00 55.31 72 A 1 ATOM 581 C CB . TYR A 1 72 ? 28.012 5.041 5.505 1.00 60.28 72 A 1 ATOM 582 C CG . TYR A 1 72 ? 27.881 3.769 4.688 1.00 56.54 72 A 1 ATOM 583 C CD1 . TYR A 1 72 ? 29.026 2.997 4.400 1.00 55.29 72 A 1 ATOM 584 C CD2 . TYR A 1 72 ? 26.622 3.347 4.227 1.00 52.51 72 A 1 ATOM 585 C CE1 . TYR A 1 72 ? 28.906 1.805 3.654 1.00 50.97 72 A 1 ATOM 586 C CE2 . TYR A 1 72 ? 26.497 2.154 3.483 1.00 50.18 72 A 1 ATOM 587 C CZ . TYR A 1 72 ? 27.641 1.385 3.197 1.00 50.05 72 A 1 ATOM 588 O OH . TYR A 1 72 ? 27.521 0.232 2.480 1.00 49.13 72 A 1 ATOM 589 N N . LEU A 1 73 ? 28.208 6.693 8.595 1.00 53.38 73 A 1 ATOM 590 C CA . LEU A 1 73 ? 28.741 7.841 9.339 1.00 56.40 73 A 1 ATOM 591 C C . LEU A 1 73 ? 29.225 7.481 10.761 1.00 54.17 73 A 1 ATOM 592 O O . LEU A 1 73 ? 29.679 8.368 11.484 1.00 50.67 73 A 1 ATOM 593 C CB . LEU A 1 73 ? 27.683 8.959 9.344 1.00 55.71 73 A 1 ATOM 594 C CG . LEU A 1 73 ? 27.502 9.654 7.977 1.00 51.93 73 A 1 ATOM 595 C CD1 . LEU A 1 73 ? 26.263 10.545 8.012 1.00 51.56 73 A 1 ATOM 596 C CD2 . LEU A 1 73 ? 28.702 10.537 7.619 1.00 51.73 73 A 1 ATOM 597 N N . SER A 1 74 ? 29.139 6.204 11.159 1.00 51.11 74 A 1 ATOM 598 C CA . SER A 1 74 ? 29.593 5.670 12.467 1.00 55.36 74 A 1 ATOM 599 C C . SER A 1 74 ? 30.919 4.914 12.361 1.00 50.77 74 A 1 ATOM 600 O O . SER A 1 74 ? 31.715 5.008 13.322 1.00 46.72 74 A 1 ATOM 601 C CB . SER A 1 74 ? 28.535 4.736 13.059 1.00 51.32 74 A 1 ATOM 602 O OG . SER A 1 74 ? 27.334 5.432 13.283 1.00 45.97 74 A 1 ATOM 603 O OXT . SER A 1 74 ? 31.101 4.218 11.356 1.00 45.67 74 A 1 #