# 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_acriia8 # _entry.id acriia8 # 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" "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 SER 2 1 n ILE 3 1 n PHE 4 1 n THR 5 1 n ASP 6 1 n MET 7 1 n ILE 8 1 n PRO 9 1 n ALA 10 1 n GLU 11 1 n LEU 12 1 n LEU 13 1 n ILE 14 1 n ASN 15 1 n GLU 16 1 n TYR 17 1 n LYS 18 1 n LYS 19 1 n GLY 20 1 n GLN 21 1 n SER 22 1 n GLY 23 1 n ALA 24 1 n LYS 25 1 n HIS 26 1 n ASP 27 1 n ASN 28 1 n TYR 29 1 n VAL 30 1 n SER 31 1 n VAL 32 1 n GLY 33 1 n ARG 34 1 n ILE 35 1 n MET 36 1 n VAL 37 1 n ALA 38 1 n ILE 39 1 n TYR 40 1 n LYS 41 1 n ASN 42 1 n ASN 43 1 n SER 44 1 n PHE 45 1 n LYS 46 1 n ASN 47 1 n THR 48 1 n GLY 49 1 n THR 50 1 n VAL 51 1 n LYS 52 1 n TYR 53 1 n GLN 54 1 n ASP 55 1 n SER 56 1 n THR 57 1 n HIS 58 1 n SER 59 1 n GLY 60 1 n ILE 61 1 n THR 62 1 n MET 63 1 n SER 64 1 n LYS 65 1 n VAL 66 1 n PHE 67 1 n ILE 68 1 n ASP 69 1 n GLY 70 1 n LYS 71 1 n GLU 72 1 n TYR 73 1 n ARG 74 1 n ILE 75 1 n ASP 76 1 n ILE 77 1 n ASP 78 1 n THR 79 1 n GLN 80 1 n HIS 81 1 n TYR 82 1 n GLU 83 1 n VAL 84 1 n GLN 85 1 n ASP 86 1 n PHE 87 1 n ASP 88 1 n THR 89 1 n SER 90 1 n GLY 91 1 n ARG 92 1 n GLN 93 1 n THR 94 1 n THR 95 1 n LEU 96 1 n ILE 97 1 n LEU 98 1 n LYS 99 1 n ARG 100 1 n ILE 101 1 n ASP 102 1 n LEU 103 1 n TYR 104 1 n GLY 105 # _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 00:59:20)" _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 86.68 _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 62.08 1 1 A SER 2 2 77.67 1 2 A ILE 3 2 78.91 1 3 A PHE 4 2 80.50 1 4 A THR 5 2 87.24 1 5 A ASP 6 2 90.92 1 6 A MET 7 2 93.61 1 7 A ILE 8 2 93.34 1 8 A PRO 9 2 96.99 1 9 A ALA 10 2 98.08 1 10 A GLU 11 2 91.23 1 11 A LEU 12 2 97.71 1 12 A LEU 13 2 96.71 1 13 A ILE 14 2 96.22 1 14 A ASN 15 2 94.47 1 15 A GLU 16 2 88.61 1 16 A TYR 17 2 82.29 1 17 A LYS 18 2 82.87 1 18 A LYS 19 2 82.53 1 19 A GLY 20 2 90.18 1 20 A GLN 21 2 84.40 1 21 A SER 22 2 89.65 1 22 A GLY 23 2 92.23 1 23 A ALA 24 2 92.21 1 24 A LYS 25 2 84.60 1 25 A HIS 26 2 81.40 1 26 A ASP 27 2 90.63 1 27 A ASN 28 2 92.62 1 28 A TYR 29 2 93.27 1 29 A VAL 30 2 95.59 1 30 A SER 31 2 96.19 1 31 A VAL 32 2 95.17 1 32 A GLY 33 2 96.79 1 33 A ARG 34 2 83.65 1 34 A ILE 35 2 97.30 1 35 A MET 36 2 94.24 1 36 A VAL 37 2 97.12 1 37 A ALA 38 2 96.74 1 38 A ILE 39 2 95.60 1 39 A TYR 40 2 92.46 1 40 A LYS 41 2 85.27 1 41 A ASN 42 2 82.91 1 42 A ASN 43 2 68.20 1 43 A SER 44 2 61.37 1 44 A PHE 45 2 50.50 1 45 A LYS 46 2 52.17 1 46 A ASN 47 2 46.82 1 47 A THR 48 2 54.43 1 48 A GLY 49 2 61.79 1 49 A THR 50 2 62.73 1 50 A VAL 51 2 69.69 1 51 A LYS 52 2 69.00 1 52 A TYR 53 2 66.13 1 53 A GLN 54 2 67.50 1 54 A ASP 55 2 77.56 1 55 A SER 56 2 85.31 1 56 A THR 57 2 88.88 1 57 A HIS 58 2 92.45 1 58 A SER 59 2 92.00 1 59 A GLY 60 2 95.61 1 60 A ILE 61 2 93.21 1 61 A THR 62 2 97.33 1 62 A MET 63 2 91.32 1 63 A SER 64 2 95.47 1 64 A LYS 65 2 93.06 1 65 A VAL 66 2 93.98 1 66 A PHE 67 2 97.07 1 67 A ILE 68 2 93.28 1 68 A ASP 69 2 91.16 1 69 A GLY 70 2 94.17 1 70 A LYS 71 2 90.47 1 71 A GLU 72 2 90.29 1 72 A TYR 73 2 97.56 1 73 A ARG 74 2 92.55 1 74 A ILE 75 2 97.81 1 75 A ASP 76 2 96.03 1 76 A ILE 77 2 94.66 1 77 A ASP 78 2 89.66 1 78 A THR 79 2 91.94 1 79 A GLN 80 2 89.60 1 80 A HIS 81 2 93.15 1 81 A TYR 82 2 96.94 1 82 A GLU 83 2 89.36 1 83 A VAL 84 2 96.95 1 84 A GLN 85 2 88.60 1 85 A ASP 86 2 92.21 1 86 A PHE 87 2 96.63 1 87 A ASP 88 2 94.41 1 88 A THR 89 2 96.06 1 89 A SER 90 2 95.05 1 90 A GLY 91 2 95.35 1 91 A ARG 92 2 79.88 1 92 A GLN 93 2 90.03 1 93 A THR 94 2 96.97 1 94 A THR 95 2 93.72 1 95 A LEU 96 2 96.22 1 96 A ILE 97 2 92.21 1 97 A LEU 98 2 95.57 1 98 A LYS 99 2 90.30 1 99 A ARG 100 2 86.37 1 100 A ILE 101 2 92.07 1 101 A ASP 102 2 83.96 1 102 A LEU 103 2 80.41 1 103 A TYR 104 2 62.04 1 104 A GLY 105 2 55.96 1 105 # _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 SER . 2 A 2 A 3 1 n ILE . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n ASP . 6 A 6 A 7 1 n MET . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n PRO . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n GLU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n ASN . 15 A 15 A 16 1 n GLU . 16 A 16 A 17 1 n TYR . 17 A 17 A 18 1 n LYS . 18 A 18 A 19 1 n LYS . 19 A 19 A 20 1 n GLY . 20 A 20 A 21 1 n GLN . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n GLY . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n LYS . 25 A 25 A 26 1 n HIS . 26 A 26 A 27 1 n ASP . 27 A 27 A 28 1 n ASN . 28 A 28 A 29 1 n TYR . 29 A 29 A 30 1 n VAL . 30 A 30 A 31 1 n SER . 31 A 31 A 32 1 n VAL . 32 A 32 A 33 1 n GLY . 33 A 33 A 34 1 n ARG . 34 A 34 A 35 1 n ILE . 35 A 35 A 36 1 n MET . 36 A 36 A 37 1 n VAL . 37 A 37 A 38 1 n ALA . 38 A 38 A 39 1 n ILE . 39 A 39 A 40 1 n TYR . 40 A 40 A 41 1 n LYS . 41 A 41 A 42 1 n ASN . 42 A 42 A 43 1 n ASN . 43 A 43 A 44 1 n SER . 44 A 44 A 45 1 n PHE . 45 A 45 A 46 1 n LYS . 46 A 46 A 47 1 n ASN . 47 A 47 A 48 1 n THR . 48 A 48 A 49 1 n GLY . 49 A 49 A 50 1 n THR . 50 A 50 A 51 1 n VAL . 51 A 51 A 52 1 n LYS . 52 A 52 A 53 1 n TYR . 53 A 53 A 54 1 n GLN . 54 A 54 A 55 1 n ASP . 55 A 55 A 56 1 n SER . 56 A 56 A 57 1 n THR . 57 A 57 A 58 1 n HIS . 58 A 58 A 59 1 n SER . 59 A 59 A 60 1 n GLY . 60 A 60 A 61 1 n ILE . 61 A 61 A 62 1 n THR . 62 A 62 A 63 1 n MET . 63 A 63 A 64 1 n SER . 64 A 64 A 65 1 n LYS . 65 A 65 A 66 1 n VAL . 66 A 66 A 67 1 n PHE . 67 A 67 A 68 1 n ILE . 68 A 68 A 69 1 n ASP . 69 A 69 A 70 1 n GLY . 70 A 70 A 71 1 n LYS . 71 A 71 A 72 1 n GLU . 72 A 72 A 73 1 n TYR . 73 A 73 A 74 1 n ARG . 74 A 74 A 75 1 n ILE . 75 A 75 A 76 1 n ASP . 76 A 76 A 77 1 n ILE . 77 A 77 A 78 1 n ASP . 78 A 78 A 79 1 n THR . 79 A 79 A 80 1 n GLN . 80 A 80 A 81 1 n HIS . 81 A 81 A 82 1 n TYR . 82 A 82 A 83 1 n GLU . 83 A 83 A 84 1 n VAL . 84 A 84 A 85 1 n GLN . 85 A 85 A 86 1 n ASP . 86 A 86 A 87 1 n PHE . 87 A 87 A 88 1 n ASP . 88 A 88 A 89 1 n THR . 89 A 89 A 90 1 n SER . 90 A 90 A 91 1 n GLY . 91 A 91 A 92 1 n ARG . 92 A 92 A 93 1 n GLN . 93 A 93 A 94 1 n THR . 94 A 94 A 95 1 n THR . 95 A 95 A 96 1 n LEU . 96 A 96 A 97 1 n ILE . 97 A 97 A 98 1 n LEU . 98 A 98 A 99 1 n LYS . 99 A 99 A 100 1 n ARG . 100 A 100 A 101 1 n ILE . 101 A 101 A 102 1 n ASP . 102 A 102 A 103 1 n LEU . 103 A 103 A 104 1 n TYR . 104 A 104 A 105 1 n GLY . 105 A 105 # _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 ? -7.312 -5.681 -19.198 1.00 65.40 1 A 1 ATOM 2 C CA . MET A 1 1 ? -6.239 -4.763 -18.769 1.00 71.09 1 A 1 ATOM 3 C C . MET A 1 1 ? -5.140 -5.583 -18.120 1.00 70.78 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.449 -6.592 -17.486 1.00 64.54 1 A 1 ATOM 5 C CB . MET A 1 1 ? -6.774 -3.689 -17.817 1.00 65.07 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.621 -2.659 -18.572 1.00 57.50 1 A 1 ATOM 7 S SD . MET A 1 1 ? -8.455 -1.494 -17.480 1.00 54.42 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.376 -0.506 -18.689 1.00 47.85 1 A 1 ATOM 9 N N . SER A 1 2 ? -3.870 -5.230 -18.326 1.00 76.77 2 A 1 ATOM 10 C CA . SER A 1 2 ? -2.729 -5.887 -17.676 1.00 81.73 2 A 1 ATOM 11 C C . SER A 1 2 ? -2.390 -5.132 -16.393 1.00 83.41 2 A 1 ATOM 12 O O . SER A 1 2 ? -2.363 -3.905 -16.415 1.00 80.18 2 A 1 ATOM 13 C CB . SER A 1 2 ? -1.517 -5.906 -18.614 1.00 75.29 2 A 1 ATOM 14 O OG . SER A 1 2 ? -0.375 -6.408 -17.945 1.00 68.63 2 A 1 ATOM 15 N N . ILE A 1 3 ? -2.063 -5.848 -15.310 1.00 81.50 3 A 1 ATOM 16 C CA . ILE A 1 3 ? -1.643 -5.244 -14.032 1.00 82.64 3 A 1 ATOM 17 C C . ILE A 1 3 ? -0.468 -4.262 -14.197 1.00 84.43 3 A 1 ATOM 18 O O . ILE A 1 3 ? -0.384 -3.286 -13.473 1.00 83.75 3 A 1 ATOM 19 C CB . ILE A 1 3 ? -1.270 -6.336 -13.004 1.00 80.69 3 A 1 ATOM 20 C CG1 . ILE A 1 3 ? -0.118 -7.227 -13.513 1.00 74.97 3 A 1 ATOM 21 C CG2 . ILE A 1 3 ? -2.515 -7.173 -12.639 1.00 73.52 3 A 1 ATOM 22 C CD1 . ILE A 1 3 ? 0.407 -8.206 -12.466 1.00 69.78 3 A 1 ATOM 23 N N . PHE A 1 4 ? 0.407 -4.507 -15.175 1.00 86.58 4 A 1 ATOM 24 C CA . PHE A 1 4 ? 1.538 -3.620 -15.477 1.00 87.80 4 A 1 ATOM 25 C C . PHE A 1 4 ? 1.100 -2.277 -16.063 1.00 89.74 4 A 1 ATOM 26 O O . PHE A 1 4 ? 1.761 -1.273 -15.840 1.00 87.86 4 A 1 ATOM 27 C CB . PHE A 1 4 ? 2.481 -4.316 -16.462 1.00 84.63 4 A 1 ATOM 28 C CG . PHE A 1 4 ? 3.149 -5.554 -15.897 1.00 80.65 4 A 1 ATOM 29 C CD1 . PHE A 1 4 ? 4.242 -5.411 -15.021 1.00 76.78 4 A 1 ATOM 30 C CD2 . PHE A 1 4 ? 2.699 -6.840 -16.251 1.00 75.52 4 A 1 ATOM 31 C CE1 . PHE A 1 4 ? 4.887 -6.553 -14.512 1.00 71.37 4 A 1 ATOM 32 C CE2 . PHE A 1 4 ? 3.344 -7.982 -15.739 1.00 72.51 4 A 1 ATOM 33 C CZ . PHE A 1 4 ? 4.443 -7.838 -14.874 1.00 72.05 4 A 1 ATOM 34 N N . THR A 1 5 ? 0.003 -2.277 -16.816 1.00 90.12 5 A 1 ATOM 35 C CA . THR A 1 5 ? -0.583 -1.055 -17.381 1.00 90.39 5 A 1 ATOM 36 C C . THR A 1 5 ? -1.287 -0.232 -16.303 1.00 91.56 5 A 1 ATOM 37 O O . THR A 1 5 ? -1.328 0.985 -16.404 1.00 89.68 5 A 1 ATOM 38 C CB . THR A 1 5 ? -1.578 -1.401 -18.496 1.00 88.95 5 A 1 ATOM 39 O OG1 . THR A 1 5 ? -1.008 -2.318 -19.409 1.00 80.66 5 A 1 ATOM 40 C CG2 . THR A 1 5 ? -2.005 -0.186 -19.313 1.00 79.32 5 A 1 ATOM 41 N N . ASP A 1 6 ? -1.809 -0.911 -15.268 1.00 93.82 6 A 1 ATOM 42 C CA . ASP A 1 6 ? -2.536 -0.277 -14.168 1.00 94.11 6 A 1 ATOM 43 C C . ASP A 1 6 ? -1.593 0.228 -13.053 1.00 95.28 6 A 1 ATOM 44 O O . ASP A 1 6 ? -2.045 0.846 -12.091 1.00 93.94 6 A 1 ATOM 45 C CB . ASP A 1 6 ? -3.564 -1.273 -13.599 1.00 92.04 6 A 1 ATOM 46 C CG . ASP A 1 6 ? -4.595 -1.805 -14.606 1.00 88.62 6 A 1 ATOM 47 O OD1 . ASP A 1 6 ? -4.825 -1.167 -15.658 1.00 84.67 6 A 1 ATOM 48 O OD2 . ASP A 1 6 ? -5.151 -2.896 -14.327 1.00 84.92 6 A 1 ATOM 49 N N . MET A 1 7 ? -0.279 -0.055 -13.143 1.00 96.17 7 A 1 ATOM 50 C CA . MET A 1 7 ? 0.698 0.418 -12.165 1.00 96.44 7 A 1 ATOM 51 C C . MET A 1 7 ? 0.941 1.919 -12.309 1.00 96.75 7 A 1 ATOM 52 O O . MET A 1 7 ? 1.352 2.407 -13.360 1.00 95.45 7 A 1 ATOM 53 C CB . MET A 1 7 ? 2.021 -0.355 -12.265 1.00 95.18 7 A 1 ATOM 54 C CG . MET A 1 7 ? 1.905 -1.741 -11.631 1.00 92.34 7 A 1 ATOM 55 S SD . MET A 1 7 ? 3.445 -2.703 -11.623 1.00 91.61 7 A 1 ATOM 56 C CE . MET A 1 7 ? 2.821 -4.189 -10.795 1.00 84.97 7 A 1 ATOM 57 N N . ILE A 1 8 ? 0.745 2.625 -11.204 1.00 97.20 8 A 1 ATOM 58 C CA . ILE A 1 8 ? 0.958 4.065 -11.077 1.00 97.06 8 A 1 ATOM 59 C C . ILE A 1 8 ? 2.061 4.354 -10.052 1.00 97.57 8 A 1 ATOM 60 O O . ILE A 1 8 ? 2.279 3.547 -9.139 1.00 97.32 8 A 1 ATOM 61 C CB . ILE A 1 8 ? -0.367 4.786 -10.742 1.00 95.77 8 A 1 ATOM 62 C CG1 . ILE A 1 8 ? -1.008 4.256 -9.443 1.00 89.78 8 A 1 ATOM 63 C CG2 . ILE A 1 8 ? -1.325 4.675 -11.947 1.00 88.26 8 A 1 ATOM 64 C CD1 . ILE A 1 8 ? -2.280 5.008 -9.044 1.00 83.73 8 A 1 ATOM 65 N N . PRO A 1 9 ? 2.802 5.466 -10.203 1.00 97.63 9 A 1 ATOM 66 C CA . PRO A 1 9 ? 3.783 5.873 -9.209 1.00 97.61 9 A 1 ATOM 67 C C . PRO A 1 9 ? 3.088 6.272 -7.902 1.00 97.74 9 A 1 ATOM 68 O O . PRO A 1 9 ? 2.076 6.970 -7.913 1.00 97.20 9 A 1 ATOM 69 C CB . PRO A 1 9 ? 4.550 7.037 -9.837 1.00 96.86 9 A 1 ATOM 70 C CG . PRO A 1 9 ? 3.527 7.661 -10.789 1.00 94.88 9 A 1 ATOM 71 C CD . PRO A 1 9 ? 2.725 6.458 -11.273 1.00 97.02 9 A 1 ATOM 72 N N . ALA A 1 10 ? 3.657 5.844 -6.779 1.00 98.18 10 A 1 ATOM 73 C CA . ALA A 1 10 ? 3.200 6.149 -5.434 1.00 98.23 10 A 1 ATOM 74 C C . ALA A 1 10 ? 4.396 6.380 -4.506 1.00 98.35 10 A 1 ATOM 75 O O . ALA A 1 10 ? 5.479 5.835 -4.731 1.00 97.84 10 A 1 ATOM 76 C CB . ALA A 1 10 ? 2.338 4.982 -4.947 1.00 97.82 10 A 1 ATOM 77 N N . GLU A 1 11 ? 4.191 7.155 -3.452 1.00 98.00 11 A 1 ATOM 78 C CA . GLU A 1 11 ? 5.172 7.324 -2.383 1.00 98.04 11 A 1 ATOM 79 C C . GLU A 1 11 ? 4.926 6.264 -1.310 1.00 98.20 11 A 1 ATOM 80 O O . GLU A 1 11 ? 3.818 6.152 -0.782 1.00 97.65 11 A 1 ATOM 81 C CB . GLU A 1 11 ? 5.078 8.747 -1.814 1.00 97.49 11 A 1 ATOM 82 C CG . GLU A 1 11 ? 6.290 9.134 -0.948 1.00 89.96 11 A 1 ATOM 83 C CD . GLU A 1 11 ? 7.588 9.385 -1.743 1.00 87.12 11 A 1 ATOM 84 O OE1 . GLU A 1 11 ? 8.628 9.598 -1.088 1.00 76.10 11 A 1 ATOM 85 O OE2 . GLU A 1 11 ? 7.562 9.393 -3.000 1.00 78.48 11 A 1 ATOM 86 N N . LEU A 1 12 ? 5.948 5.469 -0.980 1.00 98.07 12 A 1 ATOM 87 C CA . LEU A 1 12 ? 5.908 4.521 0.127 1.00 98.20 12 A 1 ATOM 88 C C . LEU A 1 12 ? 6.513 5.168 1.369 1.00 98.25 12 A 1 ATOM 89 O O . LEU A 1 12 ? 7.652 5.634 1.341 1.00 97.87 12 A 1 ATOM 90 C CB . LEU A 1 12 ? 6.645 3.229 -0.263 1.00 98.10 12 A 1 ATOM 91 C CG . LEU A 1 12 ? 6.636 2.152 0.835 1.00 97.66 12 A 1 ATOM 92 C CD1 . LEU A 1 12 ? 5.237 1.588 1.090 1.00 96.75 12 A 1 ATOM 93 C CD2 . LEU A 1 12 ? 7.541 0.990 0.431 1.00 96.81 12 A 1 ATOM 94 N N . LEU A 1 13 ? 5.774 5.132 2.462 1.00 98.35 13 A 1 ATOM 95 C CA . LEU A 1 13 ? 6.222 5.603 3.763 1.00 98.30 13 A 1 ATOM 96 C C . LEU A 1 13 ? 6.249 4.451 4.767 1.00 98.42 13 A 1 ATOM 97 O O . LEU A 1 13 ? 5.420 3.551 4.719 1.00 98.15 13 A 1 ATOM 98 C CB . LEU A 1 13 ? 5.353 6.764 4.265 1.00 97.90 13 A 1 ATOM 99 C CG . LEU A 1 13 ? 5.200 7.944 3.281 1.00 96.33 13 A 1 ATOM 100 C CD1 . LEU A 1 13 ? 3.910 7.821 2.464 1.00 93.35 13 A 1 ATOM 101 C CD2 . LEU A 1 13 ? 5.140 9.262 4.040 1.00 92.86 13 A 1 ATOM 102 N N . ILE A 1 14 ? 7.197 4.502 5.708 1.00 97.94 14 A 1 ATOM 103 C CA . ILE A 1 14 ? 7.298 3.610 6.863 1.00 97.95 14 A 1 ATOM 104 C C . ILE A 1 14 ? 6.980 4.391 8.135 1.00 97.79 14 A 1 ATOM 105 O O . ILE A 1 14 ? 7.418 5.533 8.287 1.00 97.10 14 A 1 ATOM 106 C CB . ILE A 1 14 ? 8.682 2.927 6.901 1.00 97.51 14 A 1 ATOM 107 C CG1 . ILE A 1 14 ? 8.711 1.809 7.961 1.00 95.55 14 A 1 ATOM 108 C CG2 . ILE A 1 14 ? 9.828 3.932 7.114 1.00 94.50 14 A 1 ATOM 109 C CD1 . ILE A 1 14 ? 9.969 0.936 7.886 1.00 91.39 14 A 1 ATOM 110 N N . ASN A 1 15 ? 6.231 3.779 9.062 1.00 97.16 15 A 1 ATOM 111 C CA . ASN A 1 15 ? 5.984 4.369 10.368 1.00 96.68 15 A 1 ATOM 112 C C . ASN A 1 15 ? 7.174 4.113 11.304 1.00 96.21 15 A 1 ATOM 113 O O . ASN A 1 15 ? 7.406 3.001 11.778 1.00 94.74 15 A 1 ATOM 114 C CB . ASN A 1 15 ? 4.655 3.855 10.939 1.00 95.73 15 A 1 ATOM 115 C CG . ASN A 1 15 ? 4.199 4.663 12.137 1.00 94.90 15 A 1 ATOM 116 O OD1 . ASN A 1 15 ? 4.760 5.699 12.475 1.00 90.38 15 A 1 ATOM 117 N ND2 . ASN A 1 15 ? 3.152 4.227 12.794 1.00 89.92 15 A 1 ATOM 118 N N . GLU A 1 16 ? 7.931 5.159 11.586 1.00 95.89 16 A 1 ATOM 119 C CA . GLU A 1 16 ? 8.988 5.171 12.587 1.00 94.91 16 A 1 ATOM 120 C C . GLU A 1 16 ? 8.501 5.901 13.838 1.00 94.48 16 A 1 ATOM 121 O O . GLU A 1 16 ? 8.625 7.123 13.959 1.00 91.48 16 A 1 ATOM 122 C CB . GLU A 1 16 ? 10.272 5.804 12.038 1.00 93.61 16 A 1 ATOM 123 C CG . GLU A 1 16 ? 10.909 4.981 10.912 1.00 87.99 16 A 1 ATOM 124 C CD . GLU A 1 16 ? 12.353 5.403 10.621 1.00 84.55 16 A 1 ATOM 125 O OE1 . GLU A 1 16 ? 13.062 4.580 9.998 1.00 76.28 16 A 1 ATOM 126 O OE2 . GLU A 1 16 ? 12.763 6.493 11.073 1.00 78.27 16 A 1 ATOM 127 N N . TYR A 1 17 ? 7.966 5.138 14.793 1.00 93.82 17 A 1 ATOM 128 C CA . TYR A 1 17 ? 7.477 5.678 16.059 1.00 92.60 17 A 1 ATOM 129 C C . TYR A 1 17 ? 8.513 6.580 16.743 1.00 92.70 17 A 1 ATOM 130 O O . TYR A 1 17 ? 9.601 6.134 17.123 1.00 89.89 17 A 1 ATOM 131 C CB . TYR A 1 17 ? 7.099 4.535 17.000 1.00 89.81 17 A 1 ATOM 132 C CG . TYR A 1 17 ? 5.918 3.720 16.527 1.00 83.54 17 A 1 ATOM 133 C CD1 . TYR A 1 17 ? 4.623 4.258 16.641 1.00 77.95 17 A 1 ATOM 134 C CD2 . TYR A 1 17 ? 6.108 2.432 15.973 1.00 78.25 17 A 1 ATOM 135 C CE1 . TYR A 1 17 ? 3.511 3.504 16.225 1.00 72.04 17 A 1 ATOM 136 C CE2 . TYR A 1 17 ? 4.996 1.679 15.559 1.00 74.36 17 A 1 ATOM 137 C CZ . TYR A 1 17 ? 3.695 2.211 15.700 1.00 73.02 17 A 1 ATOM 138 O OH . TYR A 1 17 ? 2.608 1.481 15.350 1.00 69.49 17 A 1 ATOM 139 N N . LYS A 1 18 ? 8.137 7.825 17.000 1.00 92.22 18 A 1 ATOM 140 C CA . LYS A 1 18 ? 8.897 8.728 17.866 1.00 91.67 18 A 1 ATOM 141 C C . LYS A 1 18 ? 8.346 8.650 19.286 1.00 92.22 18 A 1 ATOM 142 O O . LYS A 1 18 ? 7.141 8.709 19.507 1.00 89.87 18 A 1 ATOM 143 C CB . LYS A 1 18 ? 8.892 10.156 17.310 1.00 88.76 18 A 1 ATOM 144 C CG . LYS A 1 18 ? 9.849 10.269 16.110 1.00 79.51 18 A 1 ATOM 145 C CD . LYS A 1 18 ? 9.935 11.716 15.606 1.00 77.78 18 A 1 ATOM 146 C CE . LYS A 1 18 ? 10.931 11.785 14.444 1.00 70.91 18 A 1 ATOM 147 N NZ . LYS A 1 18 ? 10.848 13.072 13.714 1.00 62.85 18 A 1 ATOM 148 N N . LYS A 1 19 ? 9.245 8.541 20.277 1.00 91.61 19 A 1 ATOM 149 C CA . LYS A 1 19 ? 8.868 8.702 21.684 1.00 90.94 19 A 1 ATOM 150 C C . LYS A 1 19 ? 8.746 10.193 21.992 1.00 90.41 19 A 1 ATOM 151 O O . LYS A 1 19 ? 9.721 10.932 21.857 1.00 86.72 19 A 1 ATOM 152 C CB . LYS A 1 19 ? 9.869 8.008 22.619 1.00 88.64 19 A 1 ATOM 153 C CG . LYS A 1 19 ? 9.779 6.478 22.532 1.00 80.38 19 A 1 ATOM 154 C CD . LYS A 1 19 ? 10.736 5.827 23.539 1.00 77.83 19 A 1 ATOM 155 C CE . LYS A 1 19 ? 10.649 4.300 23.475 1.00 72.23 19 A 1 ATOM 156 N NZ . LYS A 1 19 ? 11.576 3.665 24.447 1.00 63.99 19 A 1 ATOM 157 N N . GLY A 1 20 ? 7.562 10.615 22.412 1.00 90.69 20 A 1 ATOM 158 C CA . GLY A 1 20 ? 7.364 11.947 22.974 1.00 89.52 20 A 1 ATOM 159 C C . GLY A 1 20 ? 8.049 12.100 24.338 1.00 91.32 20 A 1 ATOM 160 O O . GLY A 1 20 ? 8.474 11.118 24.952 1.00 89.19 20 A 1 ATOM 161 N N . GLN A 1 21 ? 8.118 13.328 24.836 1.00 93.13 21 A 1 ATOM 162 C CA . GLN A 1 21 ? 8.724 13.635 26.147 1.00 93.18 21 A 1 ATOM 163 C C . GLN A 1 21 ? 8.069 12.860 27.310 1.00 93.47 21 A 1 ATOM 164 O O . GLN A 1 21 ? 8.742 12.498 28.266 1.00 90.36 21 A 1 ATOM 165 C CB . GLN A 1 21 ? 8.643 15.145 26.415 1.00 91.78 21 A 1 ATOM 166 C CG . GLN A 1 21 ? 9.615 15.953 25.536 1.00 83.54 21 A 1 ATOM 167 C CD . GLN A 1 21 ? 9.572 17.452 25.840 1.00 76.05 21 A 1 ATOM 168 O OE1 . GLN A 1 21 ? 8.652 17.969 26.445 1.00 70.14 21 A 1 ATOM 169 N NE2 . GLN A 1 21 ? 10.555 18.213 25.417 1.00 67.99 21 A 1 ATOM 170 N N . SER A 1 22 ? 6.772 12.524 27.176 1.00 91.83 22 A 1 ATOM 171 C CA . SER A 1 22 ? 6.019 11.723 28.157 1.00 92.61 22 A 1 ATOM 172 C C . SER A 1 22 ? 6.144 10.203 27.958 1.00 93.17 22 A 1 ATOM 173 O O . SER A 1 22 ? 5.445 9.436 28.617 1.00 88.91 22 A 1 ATOM 174 C CB . SER A 1 22 ? 4.544 12.143 28.140 1.00 90.97 22 A 1 ATOM 175 O OG . SER A 1 22 ? 4.439 13.553 28.206 1.00 80.39 22 A 1 ATOM 176 N N . GLY A 1 23 ? 6.979 9.731 27.021 1.00 92.32 23 A 1 ATOM 177 C CA . GLY A 1 23 ? 7.155 8.306 26.703 1.00 92.39 23 A 1 ATOM 178 C C . GLY A 1 23 ? 6.077 7.708 25.788 1.00 93.32 23 A 1 ATOM 179 O O . GLY A 1 23 ? 6.218 6.551 25.376 1.00 90.90 23 A 1 ATOM 180 N N . ALA A 1 24 ? 5.036 8.478 25.431 1.00 92.88 24 A 1 ATOM 181 C CA . ALA A 1 24 ? 4.016 8.061 24.471 1.00 93.08 24 A 1 ATOM 182 C C . ALA A 1 24 ? 4.628 7.895 23.068 1.00 93.07 24 A 1 ATOM 183 O O . ALA A 1 24 ? 5.473 8.689 22.647 1.00 90.74 24 A 1 ATOM 184 C CB . ALA A 1 24 ? 2.865 9.072 24.476 1.00 91.30 24 A 1 ATOM 185 N N . LYS A 1 25 ? 4.208 6.837 22.359 1.00 93.54 25 A 1 ATOM 186 C CA . LYS A 1 25 ? 4.593 6.618 20.961 1.00 92.55 25 A 1 ATOM 187 C C . LYS A 1 25 ? 3.705 7.484 20.069 1.00 92.97 25 A 1 ATOM 188 O O . LYS A 1 25 ? 2.489 7.435 20.200 1.00 91.08 25 A 1 ATOM 189 C CB . LYS A 1 25 ? 4.463 5.140 20.578 1.00 89.65 25 A 1 ATOM 190 C CG . LYS A 1 25 ? 5.463 4.221 21.297 1.00 82.60 25 A 1 ATOM 191 C CD . LYS A 1 25 ? 5.256 2.786 20.801 1.00 79.71 25 A 1 ATOM 192 C CE . LYS A 1 25 ? 6.197 1.782 21.467 1.00 73.61 25 A 1 ATOM 193 N NZ . LYS A 1 25 ? 5.943 0.415 20.942 1.00 65.71 25 A 1 ATOM 194 N N . HIS A 1 26 ? 4.317 8.237 19.180 1.00 92.34 26 A 1 ATOM 195 C CA . HIS A 1 26 ? 3.644 9.006 18.141 1.00 92.15 26 A 1 ATOM 196 C C . HIS A 1 26 ? 4.052 8.469 16.774 1.00 93.09 26 A 1 ATOM 197 O O . HIS A 1 26 ? 5.237 8.196 16.549 1.00 91.25 26 A 1 ATOM 198 C CB . HIS A 1 26 ? 3.996 10.490 18.274 1.00 89.16 26 A 1 ATOM 199 C CG . HIS A 1 26 ? 3.448 11.102 19.540 1.00 80.59 26 A 1 ATOM 200 N ND1 . HIS A 1 26 ? 2.141 11.471 19.755 1.00 69.51 26 A 1 ATOM 201 C CD2 . HIS A 1 26 ? 4.141 11.371 20.694 1.00 69.28 26 A 1 ATOM 202 C CE1 . HIS A 1 26 ? 2.051 11.951 21.004 1.00 66.54 26 A 1 ATOM 203 N NE2 . HIS A 1 26 ? 3.240 11.912 21.614 1.00 70.12 26 A 1 ATOM 204 N N . ASP A 1 27 ? 3.073 8.346 15.886 1.00 93.37 27 A 1 ATOM 205 C CA . ASP A 1 27 ? 3.316 7.958 14.505 1.00 93.14 27 A 1 ATOM 206 C C . ASP A 1 27 ? 4.160 9.019 13.798 1.00 93.90 27 A 1 ATOM 207 O O . ASP A 1 27 ? 3.935 10.226 13.929 1.00 92.72 27 A 1 ATOM 208 C CB . ASP A 1 27 ? 1.991 7.722 13.765 1.00 91.63 27 A 1 ATOM 209 C CG . ASP A 1 27 ? 1.158 6.604 14.398 1.00 89.64 27 A 1 ATOM 210 O OD1 . ASP A 1 27 ? 1.767 5.738 15.066 1.00 85.35 27 A 1 ATOM 211 O OD2 . ASP A 1 27 ? -0.078 6.679 14.253 1.00 85.28 27 A 1 ATOM 212 N N . ASN A 1 28 ? 5.163 8.556 13.067 1.00 94.20 28 A 1 ATOM 213 C CA . ASN A 1 28 ? 6.058 9.395 12.295 1.00 94.87 28 A 1 ATOM 214 C C . ASN A 1 28 ? 6.382 8.685 10.982 1.00 95.57 28 A 1 ATOM 215 O O . ASN A 1 28 ? 7.313 7.883 10.898 1.00 94.88 28 A 1 ATOM 216 C CB . ASN A 1 28 ? 7.303 9.704 13.137 1.00 94.03 28 A 1 ATOM 217 C CG . ASN A 1 28 ? 8.340 10.460 12.332 1.00 92.67 28 A 1 ATOM 218 O OD1 . ASN A 1 28 ? 8.170 11.610 11.959 1.00 87.03 28 A 1 ATOM 219 N ND2 . ASN A 1 28 ? 9.466 9.849 12.060 1.00 87.73 28 A 1 ATOM 220 N N . TYR A 1 29 ? 5.582 8.983 9.967 1.00 95.55 29 A 1 ATOM 221 C CA . TYR A 1 29 ? 5.769 8.416 8.641 1.00 95.71 29 A 1 ATOM 222 C C . TYR A 1 29 ? 6.945 9.084 7.924 1.00 96.20 29 A 1 ATOM 223 O O . TYR A 1 29 ? 6.945 10.291 7.688 1.00 95.15 29 A 1 ATOM 224 C CB . TYR A 1 29 ? 4.464 8.504 7.852 1.00 94.93 29 A 1 ATOM 225 C CG . TYR A 1 29 ? 3.416 7.521 8.342 1.00 94.40 29 A 1 ATOM 226 C CD1 . TYR A 1 29 ? 3.429 6.189 7.878 1.00 92.18 29 A 1 ATOM 227 C CD2 . TYR A 1 29 ? 2.445 7.924 9.283 1.00 92.29 29 A 1 ATOM 228 C CE1 . TYR A 1 29 ? 2.470 5.267 8.343 1.00 91.06 29 A 1 ATOM 229 C CE2 . TYR A 1 29 ? 1.487 7.003 9.753 1.00 91.22 29 A 1 ATOM 230 C CZ . TYR A 1 29 ? 1.498 5.672 9.280 1.00 91.35 29 A 1 ATOM 231 O OH . TYR A 1 29 ? 0.576 4.782 9.731 1.00 89.14 29 A 1 ATOM 232 N N . VAL A 1 30 ? 7.940 8.272 7.559 1.00 97.09 30 A 1 ATOM 233 C CA . VAL A 1 30 ? 9.148 8.680 6.832 1.00 97.38 30 A 1 ATOM 234 C C . VAL A 1 30 ? 9.122 8.048 5.447 1.00 97.83 30 A 1 ATOM 235 O O . VAL A 1 30 ? 8.806 6.869 5.304 1.00 97.31 30 A 1 ATOM 236 C CB . VAL A 1 30 ? 10.422 8.299 7.611 1.00 96.49 30 A 1 ATOM 237 C CG1 . VAL A 1 30 ? 11.688 8.776 6.889 1.00 91.67 30 A 1 ATOM 238 C CG2 . VAL A 1 30 ? 10.424 8.929 9.014 1.00 91.38 30 A 1 ATOM 239 N N . SER A 1 31 ? 9.458 8.823 4.413 1.00 97.61 31 A 1 ATOM 240 C CA . SER A 1 31 ? 9.526 8.308 3.045 1.00 97.56 31 A 1 ATOM 241 C C . SER A 1 31 ? 10.614 7.234 2.922 1.00 97.51 31 A 1 ATOM 242 O O . SER A 1 31 ? 11.767 7.456 3.298 1.00 96.36 31 A 1 ATOM 243 C CB . SER A 1 31 ? 9.766 9.438 2.040 1.00 96.82 31 A 1 ATOM 244 O OG . SER A 1 31 ? 10.001 8.884 0.762 1.00 91.26 31 A 1 ATOM 245 N N . VAL A 1 32 ? 10.237 6.087 2.362 1.00 97.27 32 A 1 ATOM 246 C CA . VAL A 1 32 ? 11.151 5.014 1.937 1.00 96.89 32 A 1 ATOM 247 C C . VAL A 1 32 ? 11.581 5.239 0.489 1.00 97.13 32 A 1 ATOM 248 O O . VAL A 1 32 ? 12.701 4.909 0.108 1.00 95.35 32 A 1 ATOM 249 C CB . VAL A 1 32 ? 10.477 3.637 2.094 1.00 95.56 32 A 1 ATOM 250 C CG1 . VAL A 1 32 ? 11.400 2.479 1.687 1.00 91.72 32 A 1 ATOM 251 C CG2 . VAL A 1 32 ? 10.041 3.386 3.543 1.00 92.28 32 A 1 ATOM 252 N N . GLY A 1 33 ? 10.686 5.791 -0.328 1.00 96.53 33 A 1 ATOM 253 C CA . GLY A 1 33 ? 10.916 6.115 -1.728 1.00 96.45 33 A 1 ATOM 254 C C . GLY A 1 33 ? 9.703 5.839 -2.612 1.00 97.45 33 A 1 ATOM 255 O O . GLY A 1 33 ? 8.644 5.404 -2.151 1.00 96.72 33 A 1 ATOM 256 N N . ARG A 1 34 ? 9.868 6.072 -3.913 1.00 97.64 34 A 1 ATOM 257 C CA . ARG A 1 34 ? 8.803 5.854 -4.898 1.00 97.65 34 A 1 ATOM 258 C C . ARG A 1 34 ? 8.723 4.392 -5.321 1.00 97.80 34 A 1 ATOM 259 O O . ARG A 1 34 ? 9.737 3.762 -5.620 1.00 96.60 34 A 1 ATOM 260 C CB . ARG A 1 34 ? 8.972 6.780 -6.107 1.00 96.51 34 A 1 ATOM 261 C CG . ARG A 1 34 ? 8.701 8.237 -5.711 1.00 87.82 34 A 1 ATOM 262 C CD . ARG A 1 34 ? 8.783 9.141 -6.935 1.00 84.92 34 A 1 ATOM 263 N NE . ARG A 1 34 ? 8.523 10.541 -6.553 1.00 74.85 34 A 1 ATOM 264 C CZ . ARG A 1 34 ? 8.563 11.588 -7.355 1.00 66.97 34 A 1 ATOM 265 N NH1 . ARG A 1 34 ? 8.856 11.478 -8.625 1.00 61.73 34 A 1 ATOM 266 N NH2 . ARG A 1 34 ? 8.314 12.775 -6.886 1.00 57.71 34 A 1 ATOM 267 N N . ILE A 1 35 ? 7.498 3.882 -5.414 1.00 98.01 35 A 1 ATOM 268 C CA . ILE A 1 35 ? 7.193 2.547 -5.932 1.00 97.99 35 A 1 ATOM 269 C C . ILE A 1 35 ? 6.160 2.634 -7.055 1.00 98.13 35 A 1 ATOM 270 O O . ILE A 1 35 ? 5.394 3.589 -7.140 1.00 97.84 35 A 1 ATOM 271 C CB . ILE A 1 35 ? 6.748 1.588 -4.804 1.00 97.72 35 A 1 ATOM 272 C CG1 . ILE A 1 35 ? 5.418 2.010 -4.140 1.00 96.79 35 A 1 ATOM 273 C CG2 . ILE A 1 35 ? 7.877 1.441 -3.767 1.00 96.02 35 A 1 ATOM 274 C CD1 . ILE A 1 35 ? 4.828 0.927 -3.225 1.00 95.86 35 A 1 ATOM 275 N N . MET A 1 36 ? 6.122 1.616 -7.911 1.00 97.69 36 A 1 ATOM 276 C CA . MET A 1 36 ? 5.016 1.404 -8.844 1.00 97.69 36 A 1 ATOM 277 C C . MET A 1 36 ? 4.023 0.436 -8.205 1.00 97.86 36 A 1 ATOM 278 O O . MET A 1 36 ? 4.410 -0.662 -7.790 1.00 97.32 36 A 1 ATOM 279 C CB . MET A 1 36 ? 5.535 0.872 -10.186 1.00 97.13 36 A 1 ATOM 280 C CG . MET A 1 36 ? 6.441 1.873 -10.915 1.00 94.22 36 A 1 ATOM 281 S SD . MET A 1 36 ? 5.688 3.460 -11.375 1.00 91.07 36 A 1 ATOM 282 C CE . MET A 1 36 ? 4.488 2.920 -12.619 1.00 80.92 36 A 1 ATOM 283 N N . VAL A 1 37 ? 2.757 0.819 -8.116 1.00 98.03 37 A 1 ATOM 284 C CA . VAL A 1 37 ? 1.702 0.010 -7.497 1.00 98.17 37 A 1 ATOM 285 C C . VAL A 1 37 ? 0.420 0.062 -8.324 1.00 98.12 37 A 1 ATOM 286 O O . VAL A 1 37 ? 0.044 1.111 -8.840 1.00 97.66 37 A 1 ATOM 287 C CB . VAL A 1 37 ? 1.485 0.432 -6.029 1.00 97.90 37 A 1 ATOM 288 C CG1 . VAL A 1 37 ? 0.931 1.852 -5.871 1.00 95.15 37 A 1 ATOM 289 C CG2 . VAL A 1 37 ? 0.571 -0.539 -5.277 1.00 94.79 37 A 1 ATOM 290 N N . ALA A 1 38 ? -0.255 -1.079 -8.457 1.00 97.34 38 A 1 ATOM 291 C CA . ALA A 1 38 ? -1.623 -1.158 -8.953 1.00 96.92 38 A 1 ATOM 292 C C . ALA A 1 38 ? -2.562 -1.374 -7.763 1.00 96.76 38 A 1 ATOM 293 O O . ALA A 1 38 ? -2.325 -2.279 -6.962 1.00 96.22 38 A 1 ATOM 294 C CB . ALA A 1 38 ? -1.718 -2.285 -9.986 1.00 96.45 38 A 1 ATOM 295 N N . ILE A 1 39 ? -3.607 -0.559 -7.636 1.00 96.64 39 A 1 ATOM 296 C CA . ILE A 1 39 ? -4.568 -0.622 -6.524 1.00 96.56 39 A 1 ATOM 297 C C . ILE A 1 39 ? -5.973 -0.864 -7.072 1.00 95.98 39 A 1 ATOM 298 O O . ILE A 1 39 ? -6.443 -0.145 -7.949 1.00 94.91 39 A 1 ATOM 299 C CB . ILE A 1 39 ? -4.491 0.632 -5.623 1.00 96.59 39 A 1 ATOM 300 C CG1 . ILE A 1 39 ? -3.071 0.757 -5.021 1.00 95.64 39 A 1 ATOM 301 C CG2 . ILE A 1 39 ? -5.553 0.552 -4.508 1.00 95.27 39 A 1 ATOM 302 C CD1 . ILE A 1 39 ? -2.888 1.904 -4.021 1.00 93.18 39 A 1 ATOM 303 N N . TYR A 1 40 ? -6.655 -1.859 -6.511 1.00 94.98 40 A 1 ATOM 304 C CA . TYR A 1 40 ? -8.003 -2.258 -6.897 1.00 93.93 40 A 1 ATOM 305 C C . TYR A 1 40 ? -8.935 -2.201 -5.691 1.00 93.43 40 A 1 ATOM 306 O O . TYR A 1 40 ? -8.599 -2.689 -4.614 1.00 92.33 40 A 1 ATOM 307 C CB . TYR A 1 40 ? -7.975 -3.664 -7.494 1.00 93.44 40 A 1 ATOM 308 C CG . TYR A 1 40 ? -6.996 -3.813 -8.646 1.00 93.51 40 A 1 ATOM 309 C CD1 . TYR A 1 40 ? -7.313 -3.302 -9.921 1.00 91.50 40 A 1 ATOM 310 C CD2 . TYR A 1 40 ? -5.748 -4.431 -8.430 1.00 92.10 40 A 1 ATOM 311 C CE1 . TYR A 1 40 ? -6.392 -3.420 -10.983 1.00 91.07 40 A 1 ATOM 312 C CE2 . TYR A 1 40 ? -4.824 -4.549 -9.489 1.00 91.42 40 A 1 ATOM 313 C CZ . TYR A 1 40 ? -5.147 -4.048 -10.767 1.00 91.74 40 A 1 ATOM 314 O OH . TYR A 1 40 ? -4.255 -4.171 -11.786 1.00 90.03 40 A 1 ATOM 315 N N . LYS A 1 41 ? -10.129 -1.640 -5.876 1.00 93.37 41 A 1 ATOM 316 C CA . LYS A 1 41 ? -11.153 -1.609 -4.831 1.00 92.30 41 A 1 ATOM 317 C C . LYS A 1 41 ? -11.684 -3.019 -4.577 1.00 90.82 41 A 1 ATOM 318 O O . LYS A 1 41 ? -12.061 -3.722 -5.518 1.00 88.17 41 A 1 ATOM 319 C CB . LYS A 1 41 ? -12.262 -0.621 -5.223 1.00 91.26 41 A 1 ATOM 320 C CG . LYS A 1 41 ? -13.231 -0.379 -4.057 1.00 84.99 41 A 1 ATOM 321 C CD . LYS A 1 41 ? -14.255 0.702 -4.413 1.00 82.90 41 A 1 ATOM 322 C CE . LYS A 1 41 ? -15.174 0.945 -3.213 1.00 75.80 41 A 1 ATOM 323 N NZ . LYS A 1 41 ? -16.157 2.022 -3.482 1.00 67.81 41 A 1 ATOM 324 N N . ASN A 1 42 ? -11.747 -3.428 -3.311 1.00 89.80 42 A 1 ATOM 325 C CA . ASN A 1 42 ? -12.325 -4.708 -2.921 1.00 87.11 42 A 1 ATOM 326 C C . ASN A 1 42 ? -13.838 -4.684 -3.137 1.00 83.91 42 A 1 ATOM 327 O O . ASN A 1 42 ? -14.522 -3.699 -2.857 1.00 77.59 42 A 1 ATOM 328 C CB . ASN A 1 42 ? -11.940 -5.045 -1.469 1.00 85.29 42 A 1 ATOM 329 C CG . ASN A 1 42 ? -10.465 -5.382 -1.304 1.00 82.72 42 A 1 ATOM 330 O OD1 . ASN A 1 42 ? -9.738 -5.614 -2.262 1.00 77.95 42 A 1 ATOM 331 N ND2 . ASN A 1 42 ? -9.986 -5.435 -0.084 1.00 78.92 42 A 1 ATOM 332 N N . ASN A 1 43 ? -14.377 -5.802 -3.640 1.00 79.54 43 A 1 ATOM 333 C CA . ASN A 1 43 ? -15.818 -5.983 -3.725 1.00 75.80 43 A 1 ATOM 334 C C . ASN A 1 43 ? -16.326 -6.486 -2.367 1.00 74.88 43 A 1 ATOM 335 O O . ASN A 1 43 ? -15.842 -7.504 -1.877 1.00 68.18 43 A 1 ATOM 336 C CB . ASN A 1 43 ? -16.142 -6.930 -4.895 1.00 70.75 43 A 1 ATOM 337 C CG . ASN A 1 43 ? -17.626 -6.989 -5.203 1.00 63.02 43 A 1 ATOM 338 O OD1 . ASN A 1 43 ? -18.460 -6.439 -4.507 1.00 56.77 43 A 1 ATOM 339 N ND2 . ASN A 1 43 ? -18.010 -7.647 -6.271 1.00 56.67 43 A 1 ATOM 340 N N . SER A 1 44 ? -17.327 -5.811 -1.797 1.00 67.05 44 A 1 ATOM 341 C CA . SER A 1 44 ? -17.906 -6.087 -0.472 1.00 64.13 44 A 1 ATOM 342 C C . SER A 1 44 ? -18.488 -7.501 -0.315 1.00 63.38 44 A 1 ATOM 343 O O . SER A 1 44 ? -18.788 -7.915 0.799 1.00 59.72 44 A 1 ATOM 344 C CB . SER A 1 44 ? -19.010 -5.064 -0.168 1.00 60.15 44 A 1 ATOM 345 O OG . SER A 1 44 ? -18.578 -3.741 -0.445 1.00 53.78 44 A 1 ATOM 346 N N . PHE A 1 45 ? -18.632 -8.256 -1.402 1.00 59.11 45 A 1 ATOM 347 C CA . PHE A 1 45 ? -19.162 -9.624 -1.392 1.00 56.79 45 A 1 ATOM 348 C C . PHE A 1 45 ? -18.099 -10.724 -1.205 1.00 56.23 45 A 1 ATOM 349 O O . PHE A 1 45 ? -18.453 -11.902 -1.139 1.00 52.95 45 A 1 ATOM 350 C CB . PHE A 1 45 ? -19.982 -9.846 -2.667 1.00 53.03 45 A 1 ATOM 351 C CG . PHE A 1 45 ? -21.199 -8.940 -2.764 1.00 50.50 45 A 1 ATOM 352 C CD1 . PHE A 1 45 ? -22.320 -9.189 -1.951 1.00 47.38 45 A 1 ATOM 353 C CD2 . PHE A 1 45 ? -21.212 -7.849 -3.647 1.00 46.81 45 A 1 ATOM 354 C CE1 . PHE A 1 45 ? -23.444 -8.347 -2.018 1.00 42.59 45 A 1 ATOM 355 C CE2 . PHE A 1 45 ? -22.335 -7.004 -3.711 1.00 44.63 45 A 1 ATOM 356 C CZ . PHE A 1 45 ? -23.450 -7.253 -2.898 1.00 45.46 45 A 1 ATOM 357 N N . LYS A 1 46 ? -16.797 -10.399 -1.118 1.00 59.73 46 A 1 ATOM 358 C CA . LYS A 1 46 ? -15.753 -11.391 -0.818 1.00 58.93 46 A 1 ATOM 359 C C . LYS A 1 46 ? -15.545 -11.489 0.696 1.00 59.06 46 A 1 ATOM 360 O O . LYS A 1 46 ? -14.734 -10.766 1.261 1.00 54.78 46 A 1 ATOM 361 C CB . LYS A 1 46 ? -14.452 -11.091 -1.581 1.00 55.04 46 A 1 ATOM 362 C CG . LYS A 1 46 ? -14.565 -11.472 -3.067 1.00 50.26 46 A 1 ATOM 363 C CD . LYS A 1 46 ? -13.192 -11.393 -3.740 1.00 47.85 46 A 1 ATOM 364 C CE . LYS A 1 46 ? -13.274 -11.847 -5.201 1.00 43.77 46 A 1 ATOM 365 N NZ . LYS A 1 46 ? -11.926 -11.873 -5.829 1.00 40.10 46 A 1 ATOM 366 N N . ASN A 1 47 ? -16.259 -12.415 1.346 1.00 52.74 47 A 1 ATOM 367 C CA . ASN A 1 47 ? -15.977 -12.812 2.725 1.00 52.82 47 A 1 ATOM 368 C C . ASN A 1 47 ? -14.643 -13.567 2.772 1.00 53.46 47 A 1 ATOM 369 O O . ASN A 1 47 ? -14.559 -14.738 2.397 1.00 50.32 47 A 1 ATOM 370 C CB . ASN A 1 47 ? -17.132 -13.673 3.287 1.00 47.37 47 A 1 ATOM 371 C CG . ASN A 1 47 ? -18.117 -12.890 4.137 1.00 41.84 47 A 1 ATOM 372 O OD1 . ASN A 1 47 ? -17.793 -11.911 4.775 1.00 38.36 47 A 1 ATOM 373 N ND2 . ASN A 1 47 ? -19.353 -13.328 4.212 1.00 37.65 47 A 1 ATOM 374 N N . THR A 1 48 ? -13.596 -12.918 3.255 1.00 57.50 48 A 1 ATOM 375 C CA . THR A 1 48 ? -12.348 -13.559 3.674 1.00 57.79 48 A 1 ATOM 376 C C . THR A 1 48 ? -12.359 -13.596 5.197 1.00 59.60 48 A 1 ATOM 377 O O . THR A 1 48 ? -12.523 -12.567 5.843 1.00 54.83 48 A 1 ATOM 378 C CB . THR A 1 48 ? -11.127 -12.828 3.105 1.00 54.03 48 A 1 ATOM 379 O OG1 . THR A 1 48 ? -11.236 -11.447 3.345 1.00 49.38 48 A 1 ATOM 380 C CG2 . THR A 1 48 ? -11.026 -13.015 1.589 1.00 47.86 48 A 1 ATOM 381 N N . GLY A 1 49 ? -12.257 -14.789 5.796 1.00 60.37 49 A 1 ATOM 382 C CA . GLY A 1 49 ? -12.472 -15.006 7.238 1.00 61.74 49 A 1 ATOM 383 C C . GLY A 1 49 ? -11.424 -14.406 8.192 1.00 64.51 49 A 1 ATOM 384 O O . GLY A 1 49 ? -11.344 -14.821 9.343 1.00 60.53 49 A 1 ATOM 385 N N . THR A 1 50 ? -10.616 -13.462 7.738 1.00 63.90 50 A 1 ATOM 386 C CA . THR A 1 50 ? -9.557 -12.811 8.517 1.00 66.04 50 A 1 ATOM 387 C C . THR A 1 50 ? -9.915 -11.342 8.741 1.00 68.94 50 A 1 ATOM 388 O O . THR A 1 50 ? -10.226 -10.637 7.785 1.00 67.15 50 A 1 ATOM 389 C CB . THR A 1 50 ? -8.201 -12.931 7.804 1.00 62.14 50 A 1 ATOM 390 O OG1 . THR A 1 50 ? -7.959 -14.266 7.418 1.00 55.37 50 A 1 ATOM 391 C CG2 . THR A 1 50 ? -7.036 -12.518 8.693 1.00 55.55 50 A 1 ATOM 392 N N . VAL A 1 51 ? -9.820 -10.869 9.984 1.00 69.40 51 A 1 ATOM 393 C CA . VAL A 1 51 ? -10.190 -9.498 10.402 1.00 72.33 51 A 1 ATOM 394 C C . VAL A 1 51 ? -9.527 -8.423 9.527 1.00 74.28 51 A 1 ATOM 395 O O . VAL A 1 51 ? -10.199 -7.504 9.060 1.00 71.93 51 A 1 ATOM 396 C CB . VAL A 1 51 ? -9.839 -9.288 11.893 1.00 70.29 51 A 1 ATOM 397 C CG1 . VAL A 1 51 ? -10.185 -7.878 12.388 1.00 63.95 51 A 1 ATOM 398 C CG2 . VAL A 1 51 ? -10.594 -10.287 12.784 1.00 65.67 51 A 1 ATOM 399 N N . LYS A 1 52 ? -8.241 -8.589 9.193 1.00 70.27 52 A 1 ATOM 400 C CA . LYS A 1 52 ? -7.510 -7.663 8.304 1.00 72.54 52 A 1 ATOM 401 C C . LYS A 1 52 ? -8.164 -7.499 6.923 1.00 73.97 52 A 1 ATOM 402 O O . LYS A 1 52 ? -8.165 -6.411 6.364 1.00 73.18 52 A 1 ATOM 403 C CB . LYS A 1 52 ? -6.060 -8.135 8.118 1.00 72.10 52 A 1 ATOM 404 C CG . LYS A 1 52 ? -5.182 -8.047 9.377 1.00 69.91 52 A 1 ATOM 405 C CD . LYS A 1 52 ? -3.743 -8.428 8.982 1.00 68.20 52 A 1 ATOM 406 C CE . LYS A 1 52 ? -2.700 -8.317 10.092 1.00 64.43 52 A 1 ATOM 407 N NZ . LYS A 1 52 ? -1.342 -8.613 9.555 1.00 56.43 52 A 1 ATOM 408 N N . TYR A 1 53 ? -8.744 -8.574 6.376 1.00 73.77 53 A 1 ATOM 409 C CA . TYR A 1 53 ? -9.458 -8.504 5.096 1.00 74.80 53 A 1 ATOM 410 C C . TYR A 1 53 ? -10.848 -7.875 5.239 1.00 77.16 53 A 1 ATOM 411 O O . TYR A 1 53 ? -11.317 -7.247 4.295 1.00 75.73 53 A 1 ATOM 412 C CB . TYR A 1 53 ? -9.583 -9.896 4.477 1.00 71.63 53 A 1 ATOM 413 C CG . TYR A 1 53 ? -8.325 -10.428 3.822 1.00 66.84 53 A 1 ATOM 414 C CD1 . TYR A 1 53 ? -8.066 -10.140 2.466 1.00 63.96 53 A 1 ATOM 415 C CD2 . TYR A 1 53 ? -7.439 -11.246 4.544 1.00 62.16 53 A 1 ATOM 416 C CE1 . TYR A 1 53 ? -6.928 -10.678 1.837 1.00 56.78 53 A 1 ATOM 417 C CE2 . TYR A 1 53 ? -6.295 -11.781 3.920 1.00 57.92 53 A 1 ATOM 418 C CZ . TYR A 1 53 ? -6.043 -11.503 2.563 1.00 56.70 53 A 1 ATOM 419 O OH . TYR A 1 53 ? -4.943 -12.029 1.961 1.00 56.13 53 A 1 ATOM 420 N N . GLN A 1 54 ? -11.497 -8.027 6.400 1.00 76.09 54 A 1 ATOM 421 C CA . GLN A 1 54 ? -12.796 -7.394 6.662 1.00 76.14 54 A 1 ATOM 422 C C . GLN A 1 54 ? -12.672 -5.865 6.735 1.00 78.47 54 A 1 ATOM 423 O O . GLN A 1 54 ? -13.509 -5.153 6.186 1.00 75.46 54 A 1 ATOM 424 C CB . GLN A 1 54 ? -13.407 -7.943 7.961 1.00 72.38 54 A 1 ATOM 425 C CG . GLN A 1 54 ? -13.794 -9.428 7.837 1.00 65.25 54 A 1 ATOM 426 C CD . GLN A 1 54 ? -14.428 -9.994 9.103 1.00 58.90 54 A 1 ATOM 427 O OE1 . GLN A 1 54 ? -14.450 -9.404 10.169 1.00 54.58 54 A 1 ATOM 428 N NE2 . GLN A 1 54 ? -14.976 -11.190 9.040 1.00 50.24 54 A 1 ATOM 429 N N . ASP A 1 55 ? -11.590 -5.367 7.336 1.00 80.98 55 A 1 ATOM 430 C CA . ASP A 1 55 ? -11.319 -3.928 7.441 1.00 82.91 55 A 1 ATOM 431 C C . ASP A 1 55 ? -10.672 -3.332 6.178 1.00 85.60 55 A 1 ATOM 432 O O . ASP A 1 55 ? -10.575 -2.106 6.040 1.00 83.12 55 A 1 ATOM 433 C CB . ASP A 1 55 ? -10.439 -3.674 8.671 1.00 79.60 55 A 1 ATOM 434 C CG . ASP A 1 55 ? -11.175 -3.889 9.998 1.00 72.19 55 A 1 ATOM 435 O OD1 . ASP A 1 55 ? -12.420 -3.760 10.009 1.00 68.49 55 A 1 ATOM 436 O OD2 . ASP A 1 55 ? -10.469 -4.091 11.007 1.00 67.63 55 A 1 ATOM 437 N N . SER A 1 56 ? -10.232 -4.194 5.252 1.00 85.99 56 A 1 ATOM 438 C CA . SER A 1 56 ? -9.574 -3.756 4.024 1.00 86.86 56 A 1 ATOM 439 C C . SER A 1 56 ? -10.571 -3.186 3.015 1.00 88.22 56 A 1 ATOM 440 O O . SER A 1 56 ? -11.653 -3.721 2.786 1.00 87.52 56 A 1 ATOM 441 C CB . SER A 1 56 ? -8.717 -4.865 3.413 1.00 85.30 56 A 1 ATOM 442 O OG . SER A 1 56 ? -9.481 -5.824 2.710 1.00 78.00 56 A 1 ATOM 443 N N . THR A 1 57 ? -10.192 -2.101 2.375 1.00 89.72 57 A 1 ATOM 444 C CA . THR A 1 57 ? -11.002 -1.440 1.341 1.00 89.82 57 A 1 ATOM 445 C C . THR A 1 57 ? -10.467 -1.706 -0.061 1.00 90.87 57 A 1 ATOM 446 O O . THR A 1 57 ? -11.220 -1.646 -1.034 1.00 90.02 57 A 1 ATOM 447 C CB . THR A 1 57 ? -11.086 0.068 1.599 1.00 88.90 57 A 1 ATOM 448 O OG1 . THR A 1 57 ? -9.799 0.650 1.608 1.00 87.01 57 A 1 ATOM 449 C CG2 . THR A 1 57 ? -11.742 0.395 2.938 1.00 85.85 57 A 1 ATOM 450 N N . HIS A 1 58 ? -9.170 -2.008 -0.176 1.00 92.60 58 A 1 ATOM 451 C CA . HIS A 1 58 ? -8.476 -2.196 -1.443 1.00 93.51 58 A 1 ATOM 452 C C . HIS A 1 58 ? -7.444 -3.329 -1.361 1.00 93.56 58 A 1 ATOM 453 O O . HIS A 1 58 ? -6.937 -3.668 -0.296 1.00 92.93 58 A 1 ATOM 454 C CB . HIS A 1 58 ? -7.802 -0.882 -1.886 1.00 93.82 58 A 1 ATOM 455 C CG . HIS A 1 58 ? -8.760 0.262 -2.124 1.00 94.00 58 A 1 ATOM 456 N ND1 . HIS A 1 58 ? -9.408 0.998 -1.158 1.00 89.71 58 A 1 ATOM 457 C CD2 . HIS A 1 58 ? -9.170 0.759 -3.334 1.00 91.04 58 A 1 ATOM 458 C CE1 . HIS A 1 58 ? -10.194 1.895 -1.768 1.00 91.29 58 A 1 ATOM 459 N NE2 . HIS A 1 58 ? -10.081 1.793 -3.097 1.00 92.06 58 A 1 ATOM 460 N N . SER A 1 59 ? -7.118 -3.901 -2.515 1.00 93.78 59 A 1 ATOM 461 C CA . SER A 1 59 ? -5.988 -4.810 -2.706 1.00 93.80 59 A 1 ATOM 462 C C . SER A 1 59 ? -4.974 -4.150 -3.631 1.00 95.02 59 A 1 ATOM 463 O O . SER A 1 59 ? -5.361 -3.490 -4.597 1.00 94.65 59 A 1 ATOM 464 C CB . SER A 1 59 ? -6.449 -6.142 -3.286 1.00 91.67 59 A 1 ATOM 465 O OG . SER A 1 59 ? -7.349 -6.780 -2.401 1.00 83.10 59 A 1 ATOM 466 N N . GLY A 1 60 ? -3.694 -4.323 -3.348 1.00 95.33 60 A 1 ATOM 467 C CA . GLY A 1 60 ? -2.603 -3.752 -4.127 1.00 95.56 60 A 1 ATOM 468 C C . GLY A 1 60 ? -1.639 -4.810 -4.650 1.00 95.87 60 A 1 ATOM 469 O O . GLY A 1 60 ? -1.500 -5.890 -4.076 1.00 95.68 60 A 1 ATOM 470 N N . ILE A 1 61 ? -0.962 -4.492 -5.748 1.00 96.39 61 A 1 ATOM 471 C CA . ILE A 1 61 ? 0.117 -5.300 -6.321 1.00 96.58 61 A 1 ATOM 472 C C . ILE A 1 61 ? 1.282 -4.374 -6.670 1.00 97.25 61 A 1 ATOM 473 O O . ILE A 1 61 ? 1.099 -3.367 -7.348 1.00 97.13 61 A 1 ATOM 474 C CB . ILE A 1 61 ? -0.363 -6.101 -7.552 1.00 95.27 61 A 1 ATOM 475 C CG1 . ILE A 1 61 ? -1.555 -7.020 -7.194 1.00 90.61 61 A 1 ATOM 476 C CG2 . ILE A 1 61 ? 0.807 -6.939 -8.110 1.00 90.08 61 A 1 ATOM 477 C CD1 . ILE A 1 61 ? -2.129 -7.818 -8.369 1.00 82.39 61 A 1 ATOM 478 N N . THR A 1 62 ? 2.493 -4.735 -6.246 1.00 97.49 62 A 1 ATOM 479 C CA . THR A 1 62 ? 3.730 -4.011 -6.574 1.00 97.82 62 A 1 ATOM 480 C C . THR A 1 62 ? 4.876 -4.975 -6.872 1.00 97.63 62 A 1 ATOM 481 O O . THR A 1 62 ? 4.854 -6.139 -6.468 1.00 97.18 62 A 1 ATOM 482 C CB . THR A 1 62 ? 4.093 -3.008 -5.460 1.00 97.91 62 A 1 ATOM 483 O OG1 . THR A 1 62 ? 5.237 -2.272 -5.834 1.00 96.75 62 A 1 ATOM 484 C CG2 . THR A 1 62 ? 4.398 -3.649 -4.109 1.00 96.56 62 A 1 ATOM 485 N N . MET A 1 63 ? 5.905 -4.500 -7.586 1.00 96.94 63 A 1 ATOM 486 C CA . MET A 1 63 ? 7.172 -5.229 -7.760 1.00 96.37 63 A 1 ATOM 487 C C . MET A 1 63 ? 8.171 -4.950 -6.634 1.00 96.57 63 A 1 ATOM 488 O O . MET A 1 63 ? 9.196 -5.627 -6.533 1.00 95.11 63 A 1 ATOM 489 C CB . MET A 1 63 ? 7.789 -4.881 -9.126 1.00 95.17 63 A 1 ATOM 490 C CG . MET A 1 63 ? 6.900 -5.340 -10.285 1.00 91.79 63 A 1 ATOM 491 S SD . MET A 1 63 ? 6.644 -7.129 -10.340 1.00 84.24 63 A 1 ATOM 492 C CE . MET A 1 63 ? 5.384 -7.186 -11.623 1.00 74.35 63 A 1 ATOM 493 N N . SER A 1 64 ? 7.884 -3.974 -5.782 1.00 96.58 64 A 1 ATOM 494 C CA . SER A 1 64 ? 8.759 -3.620 -4.668 1.00 96.73 64 A 1 ATOM 495 C C . SER A 1 64 ? 8.789 -4.727 -3.613 1.00 97.12 64 A 1 ATOM 496 O O . SER A 1 64 ? 7.761 -5.303 -3.258 1.00 96.52 64 A 1 ATOM 497 C CB . SER A 1 64 ? 8.324 -2.296 -4.044 1.00 96.25 64 A 1 ATOM 498 O OG . SER A 1 64 ? 9.322 -1.902 -3.129 1.00 89.63 64 A 1 ATOM 499 N N . LYS A 1 65 ? 9.988 -5.016 -3.095 1.00 96.96 65 A 1 ATOM 500 C CA . LYS A 1 65 ? 10.262 -6.022 -2.053 1.00 96.78 65 A 1 ATOM 501 C C . LYS A 1 65 ? 10.788 -5.399 -0.754 1.00 97.01 65 A 1 ATOM 502 O O . LYS A 1 65 ? 11.339 -6.098 0.078 1.00 94.66 65 A 1 ATOM 503 C CB . LYS A 1 65 ? 11.244 -7.080 -2.603 1.00 95.58 65 A 1 ATOM 504 C CG . LYS A 1 65 ? 10.723 -7.880 -3.805 1.00 94.13 65 A 1 ATOM 505 C CD . LYS A 1 65 ? 9.466 -8.677 -3.444 1.00 91.04 65 A 1 ATOM 506 C CE . LYS A 1 65 ? 9.047 -9.575 -4.591 1.00 88.96 65 A 1 ATOM 507 N NZ . LYS A 1 65 ? 7.871 -10.373 -4.191 1.00 82.42 65 A 1 ATOM 508 N N . VAL A 1 66 ? 10.629 -4.095 -0.581 1.00 96.53 66 A 1 ATOM 509 C CA . VAL A 1 66 ? 11.193 -3.343 0.556 1.00 96.26 66 A 1 ATOM 510 C C . VAL A 1 66 ? 10.397 -3.492 1.860 1.00 96.92 66 A 1 ATOM 511 O O . VAL A 1 66 ? 10.790 -2.930 2.876 1.00 95.86 66 A 1 ATOM 512 C CB . VAL A 1 66 ? 11.376 -1.856 0.206 1.00 94.85 66 A 1 ATOM 513 C CG1 . VAL A 1 66 ? 12.281 -1.682 -1.022 1.00 88.79 66 A 1 ATOM 514 C CG2 . VAL A 1 66 ? 10.041 -1.145 -0.041 1.00 88.65 66 A 1 ATOM 515 N N . PHE A 1 67 ? 9.284 -4.234 1.830 1.00 97.15 67 A 1 ATOM 516 C CA . PHE A 1 67 ? 8.433 -4.458 2.995 1.00 97.19 67 A 1 ATOM 517 C C . PHE A 1 67 ? 9.106 -5.423 3.976 1.00 96.89 67 A 1 ATOM 518 O O . PHE A 1 67 ? 9.599 -6.480 3.579 1.00 95.28 67 A 1 ATOM 519 C CB . PHE A 1 67 ? 7.062 -4.978 2.544 1.00 97.21 67 A 1 ATOM 520 C CG . PHE A 1 67 ? 6.314 -4.027 1.630 1.00 97.82 67 A 1 ATOM 521 C CD1 . PHE A 1 67 ? 5.483 -3.030 2.172 1.00 97.14 67 A 1 ATOM 522 C CD2 . PHE A 1 67 ? 6.467 -4.121 0.235 1.00 97.28 67 A 1 ATOM 523 C CE1 . PHE A 1 67 ? 4.809 -2.135 1.324 1.00 97.00 67 A 1 ATOM 524 C CE2 . PHE A 1 67 ? 5.795 -3.220 -0.614 1.00 97.15 67 A 1 ATOM 525 C CZ . PHE A 1 67 ? 4.966 -2.228 -0.070 1.00 97.64 67 A 1 ATOM 526 N N . ILE A 1 68 ? 9.119 -5.055 5.262 1.00 96.63 68 A 1 ATOM 527 C CA . ILE A 1 68 ? 9.735 -5.801 6.364 1.00 96.25 68 A 1 ATOM 528 C C . ILE A 1 68 ? 8.643 -6.146 7.379 1.00 96.47 68 A 1 ATOM 529 O O . ILE A 1 68 ? 7.881 -5.267 7.789 1.00 95.70 68 A 1 ATOM 530 C CB . ILE A 1 68 ? 10.877 -4.983 7.012 1.00 95.03 68 A 1 ATOM 531 C CG1 . ILE A 1 68 ? 11.970 -4.606 5.982 1.00 91.58 68 A 1 ATOM 532 C CG2 . ILE A 1 68 ? 11.501 -5.758 8.186 1.00 90.75 68 A 1 ATOM 533 C CD1 . ILE A 1 68 ? 13.015 -3.614 6.512 1.00 83.84 68 A 1 ATOM 534 N N . ASP A 1 69 ? 8.606 -7.407 7.820 1.00 96.56 69 A 1 ATOM 535 C CA . ASP A 1 69 ? 7.637 -7.866 8.815 1.00 96.22 69 A 1 ATOM 536 C C . ASP A 1 69 ? 7.715 -7.054 10.116 1.00 95.99 69 A 1 ATOM 537 O O . ASP A 1 69 ? 8.792 -6.678 10.595 1.00 93.77 69 A 1 ATOM 538 C CB . ASP A 1 69 ? 7.836 -9.360 9.108 1.00 94.90 69 A 1 ATOM 539 C CG . ASP A 1 69 ? 7.445 -10.265 7.938 1.00 88.26 69 A 1 ATOM 540 O OD1 . ASP A 1 69 ? 6.570 -9.851 7.149 1.00 81.80 69 A 1 ATOM 541 O OD2 . ASP A 1 69 ? 8.027 -11.368 7.857 1.00 81.76 69 A 1 ATOM 542 N N . GLY A 1 70 ? 6.547 -6.793 10.706 1.00 94.99 70 A 1 ATOM 543 C CA . GLY A 1 70 ? 6.424 -6.022 11.946 1.00 94.38 70 A 1 ATOM 544 C C . GLY A 1 70 ? 6.611 -4.509 11.785 1.00 94.82 70 A 1 ATOM 545 O O . GLY A 1 70 ? 6.655 -3.798 12.791 1.00 92.49 70 A 1 ATOM 546 N N . LYS A 1 71 ? 6.730 -4.010 10.557 1.00 95.51 71 A 1 ATOM 547 C CA . LYS A 1 71 ? 6.711 -2.579 10.238 1.00 95.54 71 A 1 ATOM 548 C C . LYS A 1 71 ? 5.362 -2.178 9.648 1.00 96.35 71 A 1 ATOM 549 O O . LYS A 1 71 ? 4.737 -2.948 8.932 1.00 95.61 71 A 1 ATOM 550 C CB . LYS A 1 71 ? 7.852 -2.235 9.267 1.00 94.59 71 A 1 ATOM 551 C CG . LYS A 1 71 ? 9.261 -2.470 9.841 1.00 91.52 71 A 1 ATOM 552 C CD . LYS A 1 71 ? 9.563 -1.506 10.990 1.00 87.35 71 A 1 ATOM 553 C CE . LYS A 1 71 ? 11.029 -1.608 11.405 1.00 83.54 71 A 1 ATOM 554 N NZ . LYS A 1 71 ? 11.375 -0.522 12.361 1.00 74.24 71 A 1 ATOM 555 N N . GLU A 1 72 ? 4.961 -0.955 9.931 1.00 96.06 72 A 1 ATOM 556 C CA . GLU A 1 72 ? 3.746 -0.350 9.394 1.00 96.31 72 A 1 ATOM 557 C C . GLU A 1 72 ? 4.095 0.553 8.218 1.00 97.00 72 A 1 ATOM 558 O O . GLU A 1 72 ? 5.036 1.348 8.291 1.00 96.39 72 A 1 ATOM 559 C CB . GLU A 1 72 ? 3.023 0.432 10.484 1.00 94.99 72 A 1 ATOM 560 C CG . GLU A 1 72 ? 2.455 -0.499 11.561 1.00 88.88 72 A 1 ATOM 561 C CD . GLU A 1 72 ? 1.855 0.271 12.737 1.00 86.86 72 A 1 ATOM 562 O OE1 . GLU A 1 72 ? 1.456 -0.401 13.712 1.00 77.17 72 A 1 ATOM 563 O OE2 . GLU A 1 72 ? 1.914 1.519 12.723 1.00 78.98 72 A 1 ATOM 564 N N . TYR A 1 73 ? 3.328 0.421 7.140 1.00 97.74 73 A 1 ATOM 565 C CA . TYR A 1 73 ? 3.555 1.168 5.910 1.00 98.01 73 A 1 ATOM 566 C C . TYR A 1 73 ? 2.308 1.930 5.488 1.00 98.05 73 A 1 ATOM 567 O O . TYR A 1 73 ? 1.179 1.473 5.672 1.00 97.61 73 A 1 ATOM 568 C CB . TYR A 1 73 ? 4.019 0.231 4.790 1.00 98.02 73 A 1 ATOM 569 C CG . TYR A 1 73 ? 5.365 -0.413 5.039 1.00 98.14 73 A 1 ATOM 570 C CD1 . TYR A 1 73 ? 6.544 0.242 4.638 1.00 97.43 73 A 1 ATOM 571 C CD2 . TYR A 1 73 ? 5.439 -1.666 5.682 1.00 97.56 73 A 1 ATOM 572 C CE1 . TYR A 1 73 ? 7.797 -0.350 4.872 1.00 97.12 73 A 1 ATOM 573 C CE2 . TYR A 1 73 ? 6.691 -2.258 5.923 1.00 97.09 73 A 1 ATOM 574 C CZ . TYR A 1 73 ? 7.871 -1.600 5.517 1.00 97.40 73 A 1 ATOM 575 O OH . TYR A 1 73 ? 9.085 -2.169 5.746 1.00 96.49 73 A 1 ATOM 576 N N . ARG A 1 74 ? 2.534 3.065 4.839 1.00 98.03 74 A 1 ATOM 577 C CA . ARG A 1 74 ? 1.505 3.843 4.153 1.00 98.13 74 A 1 ATOM 578 C C . ARG A 1 74 ? 1.924 4.094 2.713 1.00 98.29 74 A 1 ATOM 579 O O . ARG A 1 74 ? 3.106 4.285 2.435 1.00 97.95 74 A 1 ATOM 580 C CB . ARG A 1 74 ? 1.243 5.142 4.920 1.00 97.51 74 A 1 ATOM 581 C CG . ARG A 1 74 ? -0.045 5.831 4.456 1.00 95.73 74 A 1 ATOM 582 C CD . ARG A 1 74 ? -0.310 7.098 5.277 1.00 94.40 74 A 1 ATOM 583 N NE . ARG A 1 74 ? 0.542 8.207 4.834 1.00 89.04 74 A 1 ATOM 584 C CZ . ARG A 1 74 ? 0.844 9.300 5.498 1.00 88.11 74 A 1 ATOM 585 N NH1 . ARG A 1 74 ? 0.470 9.489 6.736 1.00 80.86 74 A 1 ATOM 586 N NH2 . ARG A 1 74 ? 1.527 10.231 4.901 1.00 80.03 74 A 1 ATOM 587 N N . ILE A 1 75 ? 0.953 4.064 1.809 1.00 98.17 75 A 1 ATOM 588 C CA . ILE A 1 75 ? 1.147 4.387 0.395 1.00 98.24 75 A 1 ATOM 589 C C . ILE A 1 75 ? 0.336 5.640 0.090 1.00 98.02 75 A 1 ATOM 590 O O . ILE A 1 75 ? -0.881 5.641 0.258 1.00 97.58 75 A 1 ATOM 591 C CB . ILE A 1 75 ? 0.758 3.191 -0.499 1.00 98.31 75 A 1 ATOM 592 C CG1 . ILE A 1 75 ? 1.665 1.974 -0.197 1.00 97.79 75 A 1 ATOM 593 C CG2 . ILE A 1 75 ? 0.865 3.580 -1.985 1.00 97.63 75 A 1 ATOM 594 C CD1 . ILE A 1 75 ? 1.266 0.694 -0.928 1.00 96.72 75 A 1 ATOM 595 N N . ASP A 1 76 ? 1.008 6.662 -0.388 1.00 97.70 76 A 1 ATOM 596 C CA . ASP A 1 76 ? 0.404 7.936 -0.751 1.00 97.56 76 A 1 ATOM 597 C C . ASP A 1 76 ? 0.402 8.078 -2.282 1.00 97.70 76 A 1 ATOM 598 O O . ASP A 1 76 ? 1.430 7.915 -2.950 1.00 97.09 76 A 1 ATOM 599 C CB . ASP A 1 76 ? 1.128 9.094 -0.031 1.00 96.81 76 A 1 ATOM 600 C CG . ASP A 1 76 ? 0.917 9.143 1.501 1.00 95.61 76 A 1 ATOM 601 O OD1 . ASP A 1 76 ? 0.133 8.345 2.067 1.00 93.11 76 A 1 ATOM 602 O OD2 . ASP A 1 76 ? 1.520 10.005 2.181 1.00 92.63 76 A 1 ATOM 603 N N . ILE A 1 77 ? -0.776 8.360 -2.842 1.00 97.14 77 A 1 ATOM 604 C CA . ILE A 1 77 ? -1.004 8.605 -4.270 1.00 96.75 77 A 1 ATOM 605 C C . ILE A 1 77 ? -1.811 9.895 -4.391 1.00 96.26 77 A 1 ATOM 606 O O . ILE A 1 77 ? -3.003 9.916 -4.078 1.00 94.24 77 A 1 ATOM 607 C CB . ILE A 1 77 ? -1.751 7.430 -4.947 1.00 96.23 77 A 1 ATOM 608 C CG1 . ILE A 1 77 ? -0.992 6.097 -4.763 1.00 93.59 77 A 1 ATOM 609 C CG2 . ILE A 1 77 ? -1.954 7.736 -6.447 1.00 93.42 77 A 1 ATOM 610 C CD1 . ILE A 1 77 ? -1.766 4.873 -5.245 1.00 89.67 77 A 1 ATOM 611 N N . ASP A 1 78 ? -1.163 10.949 -4.838 1.00 95.18 78 A 1 ATOM 612 C CA . ASP A 1 78 ? -1.739 12.294 -4.921 1.00 93.91 78 A 1 ATOM 613 C C . ASP A 1 78 ? -2.393 12.719 -3.586 1.00 93.51 78 A 1 ATOM 614 O O . ASP A 1 78 ? -1.696 13.018 -2.622 1.00 89.96 78 A 1 ATOM 615 C CB . ASP A 1 78 ? -2.677 12.400 -6.140 1.00 92.46 78 A 1 ATOM 616 C CG . ASP A 1 78 ? -1.992 12.066 -7.467 1.00 87.09 78 A 1 ATOM 617 O OD1 . ASP A 1 78 ? -0.826 12.489 -7.639 1.00 82.61 78 A 1 ATOM 618 O OD2 . ASP A 1 78 ? -2.644 11.414 -8.308 1.00 82.59 78 A 1 ATOM 619 N N . THR A 1 79 ? -3.720 12.715 -3.522 1.00 94.65 79 A 1 ATOM 620 C CA . THR A 1 79 ? -4.522 13.057 -2.334 1.00 94.20 79 A 1 ATOM 621 C C . THR A 1 79 ? -5.094 11.831 -1.616 1.00 94.51 79 A 1 ATOM 622 O O . THR A 1 79 ? -5.873 11.975 -0.675 1.00 92.87 79 A 1 ATOM 623 C CB . THR A 1 79 ? -5.665 14.013 -2.706 1.00 93.01 79 A 1 ATOM 624 O OG1 . THR A 1 79 ? -6.514 13.412 -3.658 1.00 88.39 79 A 1 ATOM 625 C CG2 . THR A 1 79 ? -5.157 15.326 -3.302 1.00 85.93 79 A 1 ATOM 626 N N . GLN A 1 80 ? -4.778 10.617 -2.088 1.00 95.77 80 A 1 ATOM 627 C CA . GLN A 1 80 ? -5.287 9.371 -1.527 1.00 95.98 80 A 1 ATOM 628 C C . GLN A 1 80 ? -4.216 8.698 -0.679 1.00 96.73 80 A 1 ATOM 629 O O . GLN A 1 80 ? -3.064 8.573 -1.094 1.00 96.20 80 A 1 ATOM 630 C CB . GLN A 1 80 ? -5.782 8.419 -2.622 1.00 95.10 80 A 1 ATOM 631 C CG . GLN A 1 80 ? -6.871 9.047 -3.500 1.00 90.87 80 A 1 ATOM 632 C CD . GLN A 1 80 ? -7.467 8.078 -4.513 1.00 85.81 80 A 1 ATOM 633 O OE1 . GLN A 1 80 ? -7.320 6.868 -4.462 1.00 77.05 80 A 1 ATOM 634 N NE2 . GLN A 1 80 ? -8.226 8.578 -5.465 1.00 72.89 80 A 1 ATOM 635 N N . HIS A 1 81 ? -4.631 8.197 0.484 1.00 97.16 81 A 1 ATOM 636 C CA . HIS A 1 81 ? -3.746 7.567 1.449 1.00 97.07 81 A 1 ATOM 637 C C . HIS A 1 81 ? -4.247 6.157 1.751 1.00 97.00 81 A 1 ATOM 638 O O . HIS A 1 81 ? -5.436 5.943 2.003 1.00 95.96 81 A 1 ATOM 639 C CB . HIS A 1 81 ? -3.670 8.438 2.702 1.00 96.39 81 A 1 ATOM 640 C CG . HIS A 1 81 ? -3.313 9.869 2.385 1.00 95.19 81 A 1 ATOM 641 N ND1 . HIS A 1 81 ? -2.094 10.313 1.932 1.00 86.54 81 A 1 ATOM 642 C CD2 . HIS A 1 81 ? -4.156 10.953 2.408 1.00 87.70 81 A 1 ATOM 643 C CE1 . HIS A 1 81 ? -2.199 11.632 1.695 1.00 88.50 81 A 1 ATOM 644 N NE2 . HIS A 1 81 ? -3.438 12.066 1.970 1.00 89.98 81 A 1 ATOM 645 N N . TYR A 1 82 ? -3.341 5.185 1.720 1.00 97.52 82 A 1 ATOM 646 C CA . TYR A 1 82 ? -3.635 3.779 1.953 1.00 97.69 82 A 1 ATOM 647 C C . TYR A 1 82 ? -2.705 3.225 3.023 1.00 97.83 82 A 1 ATOM 648 O O . TYR A 1 82 ? -1.490 3.178 2.837 1.00 97.50 82 A 1 ATOM 649 C CB . TYR A 1 82 ? -3.508 2.989 0.647 1.00 97.58 82 A 1 ATOM 650 C CG . TYR A 1 82 ? -4.432 3.453 -0.461 1.00 97.53 82 A 1 ATOM 651 C CD1 . TYR A 1 82 ? -5.727 2.917 -0.573 1.00 96.75 82 A 1 ATOM 652 C CD2 . TYR A 1 82 ? -3.997 4.436 -1.374 1.00 96.84 82 A 1 ATOM 653 C CE1 . TYR A 1 82 ? -6.586 3.353 -1.598 1.00 96.26 82 A 1 ATOM 654 C CE2 . TYR A 1 82 ? -4.856 4.880 -2.398 1.00 96.35 82 A 1 ATOM 655 C CZ . TYR A 1 82 ? -6.151 4.336 -2.512 1.00 96.31 82 A 1 ATOM 656 O OH . TYR A 1 82 ? -6.981 4.762 -3.500 1.00 95.06 82 A 1 ATOM 657 N N . GLU A 1 83 ? -3.270 2.765 4.128 1.00 97.10 83 A 1 ATOM 658 C CA . GLU A 1 83 ? -2.536 2.020 5.144 1.00 96.72 83 A 1 ATOM 659 C C . GLU A 1 83 ? -2.390 0.563 4.702 1.00 96.64 83 A 1 ATOM 660 O O . GLU A 1 83 ? -3.357 -0.067 4.262 1.00 95.74 83 A 1 ATOM 661 C CB . GLU A 1 83 ? -3.265 2.156 6.480 1.00 95.85 83 A 1 ATOM 662 C CG . GLU A 1 83 ? -2.454 1.590 7.648 1.00 87.79 83 A 1 ATOM 663 C CD . GLU A 1 83 ? -3.184 1.775 8.990 1.00 83.89 83 A 1 ATOM 664 O OE1 . GLU A 1 83 ? -2.497 1.750 10.021 1.00 74.79 83 A 1 ATOM 665 O OE2 . GLU A 1 83 ? -4.441 1.876 8.968 1.00 75.73 83 A 1 ATOM 666 N N . VAL A 1 84 ? -1.174 0.022 4.794 1.00 97.17 84 A 1 ATOM 667 C CA . VAL A 1 84 ? -0.885 -1.377 4.476 1.00 97.33 84 A 1 ATOM 668 C C . VAL A 1 84 ? -1.221 -2.225 5.699 1.00 96.67 84 A 1 ATOM 669 O O . VAL A 1 84 ? -0.481 -2.238 6.674 1.00 95.60 84 A 1 ATOM 670 C CB . VAL A 1 84 ? 0.577 -1.567 4.025 1.00 97.57 84 A 1 ATOM 671 C CG1 . VAL A 1 84 ? 0.833 -3.019 3.611 1.00 97.24 84 A 1 ATOM 672 C CG2 . VAL A 1 84 ? 0.930 -0.670 2.830 1.00 97.07 84 A 1 ATOM 673 N N . GLN A 1 85 ? -2.341 -2.947 5.637 1.00 95.37 85 A 1 ATOM 674 C CA . GLN A 1 85 ? -2.801 -3.834 6.708 1.00 94.34 85 A 1 ATOM 675 C C . GLN A 1 85 ? -2.022 -5.153 6.738 1.00 94.17 85 A 1 ATOM 676 O O . GLN A 1 85 ? -1.799 -5.736 7.799 1.00 92.57 85 A 1 ATOM 677 C CB . GLN A 1 85 ? -4.301 -4.122 6.507 1.00 93.44 85 A 1 ATOM 678 C CG . GLN A 1 85 ? -5.185 -2.872 6.653 1.00 89.83 85 A 1 ATOM 679 C CD . GLN A 1 85 ? -5.142 -2.285 8.056 1.00 85.84 85 A 1 ATOM 680 O OE1 . GLN A 1 85 ? -5.135 -2.989 9.054 1.00 77.29 85 A 1 ATOM 681 N NE2 . GLN A 1 85 ? -5.103 -0.976 8.184 1.00 74.57 85 A 1 ATOM 682 N N . ASP A 1 86 ? -1.636 -5.643 5.565 1.00 94.50 86 A 1 ATOM 683 C CA . ASP A 1 86 ? -0.851 -6.868 5.392 1.00 94.65 86 A 1 ATOM 684 C C . ASP A 1 86 ? -0.154 -6.872 4.034 1.00 95.55 86 A 1 ATOM 685 O O . ASP A 1 86 ? -0.578 -6.189 3.100 1.00 95.44 86 A 1 ATOM 686 C CB . ASP A 1 86 ? -1.769 -8.091 5.499 1.00 93.36 86 A 1 ATOM 687 C CG . ASP A 1 86 ? -1.098 -9.307 6.131 1.00 91.01 86 A 1 ATOM 688 O OD1 . ASP A 1 86 ? -0.126 -9.113 6.891 1.00 87.33 86 A 1 ATOM 689 O OD2 . ASP A 1 86 ? -1.689 -10.408 6.025 1.00 85.84 86 A 1 ATOM 690 N N . PHE A 1 87 ? 0.911 -7.680 3.906 1.00 96.16 87 A 1 ATOM 691 C CA . PHE A 1 87 ? 1.604 -7.860 2.636 1.00 96.62 87 A 1 ATOM 692 C C . PHE A 1 87 ? 2.210 -9.257 2.528 1.00 96.41 87 A 1 ATOM 693 O O . PHE A 1 87 ? 2.578 -9.873 3.518 1.00 95.93 87 A 1 ATOM 694 C CB . PHE A 1 87 ? 2.669 -6.770 2.448 1.00 97.02 87 A 1 ATOM 695 C CG . PHE A 1 87 ? 3.732 -6.725 3.529 1.00 97.33 87 A 1 ATOM 696 C CD1 . PHE A 1 87 ? 3.587 -5.855 4.626 1.00 96.67 87 A 1 ATOM 697 C CD2 . PHE A 1 87 ? 4.855 -7.566 3.451 1.00 96.84 87 A 1 ATOM 698 C CE1 . PHE A 1 87 ? 4.555 -5.831 5.639 1.00 96.56 87 A 1 ATOM 699 C CE2 . PHE A 1 87 ? 5.823 -7.545 4.471 1.00 96.63 87 A 1 ATOM 700 C CZ . PHE A 1 87 ? 5.672 -6.680 5.566 1.00 96.71 87 A 1 ATOM 701 N N . ASP A 1 88 ? 2.360 -9.740 1.295 1.00 95.99 88 A 1 ATOM 702 C CA . ASP A 1 88 ? 3.074 -10.978 0.993 1.00 96.08 88 A 1 ATOM 703 C C . ASP A 1 88 ? 4.113 -10.713 -0.099 1.00 96.44 88 A 1 ATOM 704 O O . ASP A 1 88 ? 3.784 -10.373 -1.241 1.00 96.25 88 A 1 ATOM 705 C CB . ASP A 1 88 ? 2.073 -12.081 0.612 1.00 95.37 88 A 1 ATOM 706 C CG . ASP A 1 88 ? 2.757 -13.390 0.192 1.00 93.99 88 A 1 ATOM 707 O OD1 . ASP A 1 88 ? 3.979 -13.547 0.429 1.00 91.13 88 A 1 ATOM 708 O OD2 . ASP A 1 88 ? 2.077 -14.221 -0.441 1.00 90.02 88 A 1 ATOM 709 N N . THR A 1 89 ? 5.386 -10.873 0.255 1.00 96.82 89 A 1 ATOM 710 C CA . THR A 1 89 ? 6.544 -10.687 -0.633 1.00 97.04 89 A 1 ATOM 711 C C . THR A 1 89 ? 7.084 -12.003 -1.194 1.00 96.99 89 A 1 ATOM 712 O O . THR A 1 89 ? 8.058 -11.982 -1.951 1.00 95.69 89 A 1 ATOM 713 C CB . THR A 1 89 ? 7.664 -9.900 0.065 1.00 96.76 89 A 1 ATOM 714 O OG1 . THR A 1 89 ? 8.102 -10.570 1.215 1.00 95.04 89 A 1 ATOM 715 C CG2 . THR A 1 89 ? 7.238 -8.495 0.485 1.00 94.09 89 A 1 ATOM 716 N N . SER A 1 90 ? 6.473 -13.157 -0.866 1.00 96.42 90 A 1 ATOM 717 C CA . SER A 1 90 ? 6.984 -14.485 -1.239 1.00 96.14 90 A 1 ATOM 718 C C . SER A 1 90 ? 6.890 -14.770 -2.741 1.00 96.01 90 A 1 ATOM 719 O O . SER A 1 90 ? 7.759 -15.423 -3.321 1.00 93.79 90 A 1 ATOM 720 C CB . SER A 1 90 ? 6.232 -15.564 -0.445 1.00 95.63 90 A 1 ATOM 721 O OG . SER A 1 90 ? 4.896 -15.683 -0.889 1.00 92.28 90 A 1 ATOM 722 N N . GLY A 1 91 ? 5.868 -14.227 -3.410 1.00 95.73 91 A 1 ATOM 723 C CA . GLY A 1 91 ? 5.660 -14.370 -4.848 1.00 95.43 91 A 1 ATOM 724 C C . GLY A 1 91 ? 6.569 -13.479 -5.707 1.00 95.93 91 A 1 ATOM 725 O O . GLY A 1 91 ? 7.298 -12.620 -5.218 1.00 94.29 91 A 1 ATOM 726 N N . ARG A 1 92 ? 6.486 -13.619 -7.042 1.00 95.15 92 A 1 ATOM 727 C CA . ARG A 1 92 ? 7.188 -12.713 -7.981 1.00 94.99 92 A 1 ATOM 728 C C . ARG A 1 92 ? 6.780 -11.247 -7.787 1.00 95.61 92 A 1 ATOM 729 O O . ARG A 1 92 ? 7.609 -10.352 -7.928 1.00 94.05 92 A 1 ATOM 730 C CB . ARG A 1 92 ? 6.923 -13.175 -9.426 1.00 93.25 92 A 1 ATOM 731 C CG . ARG A 1 92 ? 7.731 -12.350 -10.448 1.00 82.56 92 A 1 ATOM 732 C CD . ARG A 1 92 ? 7.526 -12.841 -11.885 1.00 80.46 92 A 1 ATOM 733 N NE . ARG A 1 92 ? 6.159 -12.575 -12.376 1.00 69.83 92 A 1 ATOM 734 C CZ . ARG A 1 92 ? 5.724 -12.772 -13.609 1.00 62.89 92 A 1 ATOM 735 N NH1 . ARG A 1 92 ? 6.496 -13.256 -14.548 1.00 56.98 92 A 1 ATOM 736 N NH2 . ARG A 1 92 ? 4.493 -12.485 -13.927 1.00 52.86 92 A 1 ATOM 737 N N . GLN A 1 93 ? 5.514 -11.038 -7.472 1.00 95.88 93 A 1 ATOM 738 C CA . GLN A 1 93 ? 4.935 -9.744 -7.125 1.00 95.98 93 A 1 ATOM 739 C C . GLN A 1 93 ? 4.662 -9.710 -5.625 1.00 96.50 93 A 1 ATOM 740 O O . GLN A 1 93 ? 4.454 -10.760 -5.021 1.00 95.54 93 A 1 ATOM 741 C CB . GLN A 1 93 ? 3.643 -9.532 -7.928 1.00 94.38 93 A 1 ATOM 742 C CG . GLN A 1 93 ? 3.941 -9.382 -9.428 1.00 89.90 93 A 1 ATOM 743 C CD . GLN A 1 93 ? 2.733 -9.622 -10.321 1.00 87.03 93 A 1 ATOM 744 O OE1 . GLN A 1 93 ? 1.626 -9.883 -9.904 1.00 78.91 93 A 1 ATOM 745 N NE2 . GLN A 1 93 ? 2.919 -9.591 -11.620 1.00 76.11 93 A 1 ATOM 746 N N . THR A 1 94 ? 4.673 -8.527 -5.033 1.00 97.05 94 A 1 ATOM 747 C CA . THR A 1 94 ? 4.206 -8.312 -3.666 1.00 97.48 94 A 1 ATOM 748 C C . THR A 1 94 ? 2.719 -8.006 -3.718 1.00 97.42 94 A 1 ATOM 749 O O . THR A 1 94 ? 2.314 -7.084 -4.429 1.00 96.93 94 A 1 ATOM 750 C CB . THR A 1 94 ? 4.977 -7.172 -2.993 1.00 97.55 94 A 1 ATOM 751 O OG1 . THR A 1 94 ? 6.348 -7.503 -2.965 1.00 96.21 94 A 1 ATOM 752 C CG2 . THR A 1 94 ? 4.538 -6.924 -1.558 1.00 96.13 94 A 1 ATOM 753 N N . THR A 1 95 ? 1.912 -8.774 -2.989 1.00 96.32 95 A 1 ATOM 754 C CA . THR A 1 95 ? 0.486 -8.492 -2.799 1.00 95.75 95 A 1 ATOM 755 C C . THR A 1 95 ? 0.290 -7.697 -1.517 1.00 96.01 95 A 1 ATOM 756 O O . THR A 1 95 ? 0.982 -7.924 -0.533 1.00 95.40 95 A 1 ATOM 757 C CB . THR A 1 95 ? -0.363 -9.769 -2.796 1.00 94.28 95 A 1 ATOM 758 O OG1 . THR A 1 95 ? 0.051 -10.658 -1.790 1.00 89.46 95 A 1 ATOM 759 C CG2 . THR A 1 95 ? -0.262 -10.516 -4.123 1.00 88.85 95 A 1 ATOM 760 N N . LEU A 1 96 ? -0.631 -6.748 -1.540 1.00 96.09 96 A 1 ATOM 761 C CA . LEU A 1 96 ? -0.899 -5.824 -0.446 1.00 96.29 96 A 1 ATOM 762 C C . LEU A 1 96 ? -2.384 -5.867 -0.093 1.00 95.60 96 A 1 ATOM 763 O O . LEU A 1 96 ? -3.237 -5.859 -0.978 1.00 95.00 96 A 1 ATOM 764 C CB . LEU A 1 96 ? -0.495 -4.394 -0.854 1.00 97.03 96 A 1 ATOM 765 C CG . LEU A 1 96 ? 0.942 -4.202 -1.373 1.00 96.85 96 A 1 ATOM 766 C CD1 . LEU A 1 96 ? 1.112 -2.777 -1.900 1.00 96.39 96 A 1 ATOM 767 C CD2 . LEU A 1 96 ? 1.973 -4.433 -0.275 1.00 96.51 96 A 1 ATOM 768 N N . ILE A 1 97 ? -2.682 -5.853 1.199 1.00 95.10 97 A 1 ATOM 769 C CA . ILE A 1 97 ? -4.020 -5.604 1.737 1.00 94.37 97 A 1 ATOM 770 C C . ILE A 1 97 ? -4.030 -4.170 2.241 1.00 94.99 97 A 1 ATOM 771 O O . ILE A 1 97 ? -3.226 -3.802 3.097 1.00 94.69 97 A 1 ATOM 772 C CB . ILE A 1 97 ? -4.364 -6.615 2.849 1.00 92.74 97 A 1 ATOM 773 C CG1 . ILE A 1 97 ? -4.263 -8.062 2.317 1.00 90.80 97 A 1 ATOM 774 C CG2 . ILE A 1 97 ? -5.778 -6.330 3.385 1.00 90.73 97 A 1 ATOM 775 C CD1 . ILE A 1 97 ? -4.446 -9.102 3.424 1.00 84.27 97 A 1 ATOM 776 N N . LEU A 1 98 ? -4.920 -3.353 1.693 1.00 95.43 98 A 1 ATOM 777 C CA . LEU A 1 98 ? -4.907 -1.912 1.889 1.00 95.68 98 A 1 ATOM 778 C C . LEU A 1 98 ? -6.216 -1.428 2.507 1.00 94.85 98 A 1 ATOM 779 O O . LEU A 1 98 ? -7.306 -1.877 2.150 1.00 94.14 98 A 1 ATOM 780 C CB . LEU A 1 98 ? -4.645 -1.209 0.545 1.00 96.35 98 A 1 ATOM 781 C CG . LEU A 1 98 ? -3.338 -1.606 -0.174 1.00 96.25 98 A 1 ATOM 782 C CD1 . LEU A 1 98 ? -3.261 -0.877 -1.513 1.00 95.88 98 A 1 ATOM 783 C CD2 . LEU A 1 98 ? -2.100 -1.247 0.642 1.00 95.98 98 A 1 ATOM 784 N N . LYS A 1 99 ? -6.102 -0.451 3.394 1.00 94.95 99 A 1 ATOM 785 C CA . LYS A 1 99 ? -7.227 0.319 3.916 1.00 94.86 99 A 1 ATOM 786 C C . LYS A 1 99 ? -7.050 1.774 3.518 1.00 95.46 99 A 1 ATOM 787 O O . LYS A 1 99 ? -6.049 2.391 3.865 1.00 95.12 99 A 1 ATOM 788 C CB . LYS A 1 99 ? -7.294 0.126 5.434 1.00 93.73 99 A 1 ATOM 789 C CG . LYS A 1 99 ? -8.494 0.850 6.059 1.00 91.44 99 A 1 ATOM 790 C CD . LYS A 1 99 ? -8.546 0.503 7.547 1.00 88.22 99 A 1 ATOM 791 C CE . LYS A 1 99 ? -9.759 1.135 8.229 1.00 82.75 99 A 1 ATOM 792 N NZ . LYS A 1 99 ? -9.873 0.629 9.619 1.00 76.14 99 A 1 ATOM 793 N N . ARG A 1 100 ? -8.024 2.314 2.792 1.00 96.15 100 A 1 ATOM 794 C CA . ARG A 1 100 ? -8.035 3.753 2.514 1.00 96.10 100 A 1 ATOM 795 C C . ARG A 1 100 ? -8.312 4.509 3.807 1.00 95.72 100 A 1 ATOM 796 O O . ARG A 1 100 ? -9.243 4.152 4.529 1.00 94.31 100 A 1 ATOM 797 C CB . ARG A 1 100 ? -9.047 4.078 1.413 1.00 95.36 100 A 1 ATOM 798 C CG . ARG A 1 100 ? -8.971 5.564 1.035 1.00 91.76 100 A 1 ATOM 799 C CD . ARG A 1 100 ? -9.930 5.881 -0.103 1.00 88.69 100 A 1 ATOM 800 N NE . ARG A 1 100 ? -9.963 7.333 -0.321 1.00 80.79 100 A 1 ATOM 801 C CZ . ARG A 1 100 ? -10.665 7.984 -1.223 1.00 74.70 100 A 1 ATOM 802 N NH1 . ARG A 1 100 ? -11.405 7.369 -2.103 1.00 69.49 100 A 1 ATOM 803 N NH2 . ARG A 1 100 ? -10.629 9.287 -1.236 1.00 66.95 100 A 1 ATOM 804 N N . ILE A 1 101 ? -7.520 5.535 4.068 1.00 95.45 101 A 1 ATOM 805 C CA . ILE A 1 101 ? -7.654 6.435 5.212 1.00 94.92 101 A 1 ATOM 806 C C . ILE A 1 101 ? -7.778 7.875 4.719 1.00 94.86 101 A 1 ATOM 807 O O . ILE A 1 101 ? -7.181 8.258 3.713 1.00 93.10 101 A 1 ATOM 808 C CB . ILE A 1 101 ? -6.496 6.251 6.221 1.00 94.01 101 A 1 ATOM 809 C CG1 . ILE A 1 101 ? -5.108 6.533 5.604 1.00 89.91 101 A 1 ATOM 810 C CG2 . ILE A 1 101 ? -6.552 4.836 6.830 1.00 88.03 101 A 1 ATOM 811 C CD1 . ILE A 1 101 ? -3.972 6.614 6.630 1.00 86.28 101 A 1 ATOM 812 N N . ASP A 1 102 ? -8.542 8.671 5.458 1.00 92.19 102 A 1 ATOM 813 C CA . ASP A 1 102 ? -8.617 10.114 5.250 1.00 90.42 102 A 1 ATOM 814 C C . ASP A 1 102 ? -7.781 10.777 6.354 1.00 89.31 102 A 1 ATOM 815 O O . ASP A 1 102 ? -8.042 10.591 7.540 1.00 84.78 102 A 1 ATOM 816 C CB . ASP A 1 102 ? -10.092 10.562 5.204 1.00 87.32 102 A 1 ATOM 817 C CG . ASP A 1 102 ? -10.868 9.936 4.021 1.00 78.90 102 A 1 ATOM 818 O OD1 . ASP A 1 102 ? -10.341 9.912 2.876 1.00 74.00 102 A 1 ATOM 819 O OD2 . ASP A 1 102 ? -11.995 9.443 4.241 1.00 74.75 102 A 1 ATOM 820 N N . LEU A 1 103 ? -6.719 11.493 5.977 1.00 87.36 103 A 1 ATOM 821 C CA . LEU A 1 103 ? -5.804 12.135 6.947 1.00 84.41 103 A 1 ATOM 822 C C . LEU A 1 103 ? -6.383 13.419 7.554 1.00 81.21 103 A 1 ATOM 823 O O . LEU A 1 103 ? -5.896 13.888 8.580 1.00 75.00 103 A 1 ATOM 824 C CB . LEU A 1 103 ? -4.443 12.427 6.286 1.00 82.21 103 A 1 ATOM 825 C CG . LEU A 1 103 ? -3.610 11.186 5.909 1.00 79.68 103 A 1 ATOM 826 C CD1 . LEU A 1 103 ? -2.288 11.641 5.277 1.00 76.69 103 A 1 ATOM 827 C CD2 . LEU A 1 103 ? -3.261 10.316 7.118 1.00 76.75 103 A 1 ATOM 828 N N . TYR A 1 104 ? -7.417 13.965 6.908 1.00 78.89 104 A 1 ATOM 829 C CA . TYR A 1 104 ? -8.116 15.173 7.335 1.00 73.29 104 A 1 ATOM 830 C C . TYR A 1 104 ? -9.613 14.851 7.383 1.00 69.93 104 A 1 ATOM 831 O O . TYR A 1 104 ? -10.293 14.934 6.366 1.00 62.25 104 A 1 ATOM 832 C CB . TYR A 1 104 ? -7.779 16.324 6.378 1.00 68.52 104 A 1 ATOM 833 C CG . TYR A 1 104 ? -6.286 16.570 6.190 1.00 63.72 104 A 1 ATOM 834 C CD1 . TYR A 1 104 ? -5.553 17.243 7.185 1.00 60.36 104 A 1 ATOM 835 C CD2 . TYR A 1 104 ? -5.627 16.100 5.034 1.00 58.56 104 A 1 ATOM 836 C CE1 . TYR A 1 104 ? -4.166 17.453 7.024 1.00 52.51 104 A 1 ATOM 837 C CE2 . TYR A 1 104 ? -4.241 16.305 4.870 1.00 54.14 104 A 1 ATOM 838 C CZ . TYR A 1 104 ? -3.510 16.986 5.865 1.00 52.15 104 A 1 ATOM 839 O OH . TYR A 1 104 ? -2.173 17.185 5.708 1.00 50.11 104 A 1 ATOM 840 N N . GLY A 1 105 ? -10.078 14.382 8.541 1.00 63.59 105 A 1 ATOM 841 C CA . GLY A 1 105 ? -11.499 14.261 8.871 1.00 60.54 105 A 1 ATOM 842 C C . GLY A 1 105 ? -11.963 15.460 9.673 1.00 53.99 105 A 1 ATOM 843 O O . GLY A 1 105 ? -11.139 16.011 10.443 1.00 48.79 105 A 1 ATOM 844 O OXT . GLY A 1 105 ? -13.176 15.791 9.525 1.00 52.88 105 A 1 #