# 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_acrvib1 # _entry.id acrvib1 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "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 LYS 2 1 n ASP 3 1 n LEU 4 1 n ASP 5 1 n LEU 6 1 n SER 7 1 n LYS 8 1 n LEU 9 1 n LYS 10 1 n GLY 11 1 n GLU 12 1 n GLU 13 1 n ILE 14 1 n ALA 15 1 n GLN 16 1 n TRP 17 1 n LEU 18 1 n LEU 19 1 n ASN 20 1 n ASN 21 1 n LYS 22 1 n LYS 23 1 n ALA 24 1 n THR 25 1 n ALA 26 1 n ILE 27 1 n GLN 28 1 n LEU 29 1 n SER 30 1 n SER 31 1 n GLU 32 1 n ARG 33 1 n THR 34 1 n ASP 35 1 n THR 36 1 n ASP 37 1 n ASP 38 1 n GLY 39 1 n PHE 40 1 n MET 41 1 n HIS 42 1 n ILE 43 1 n LEU 44 1 n VAL 45 1 n HIS 46 1 n LYS 47 1 n ASP 48 1 n GLU 49 1 n TYR 50 1 n VAL 51 1 n GLU 52 1 n ILE 53 1 n ILE 54 1 n TYR 55 1 n SER 56 1 n TYR 57 1 n LEU 58 1 n LYS 59 1 n ILE 60 1 n ASP 61 1 n GLU 62 1 n ASP 63 1 n ASP 64 1 n VAL 65 1 n MET 66 1 n GLN 67 1 n ASN 68 1 n PHE 69 1 n THR 70 1 n ILE 71 1 n TYR 72 1 n SER 73 1 n LYS 74 1 n ARG 75 1 n TRP 76 1 n GLY 77 1 n ASN 78 1 n ILE 79 1 n ASP 80 1 n ASN 81 1 n SER 82 1 n TYR 83 1 n PHE 84 1 n GLU 85 1 n LEU 86 1 n GLN 87 1 n THR 88 1 n PHE 89 1 n GLU 90 1 n GLY 91 1 n GLU 92 1 n ILE 93 1 n PHE 94 1 n THR 95 1 n GLY 96 1 n GLU 97 1 n SER 98 1 n ASP 99 1 n LYS 100 1 n ILE 101 1 n LEU 102 1 n CYS 103 1 n GLY 104 1 n VAL 105 1 n LEU 106 1 n SER 107 1 n LEU 108 1 n GLY 109 1 n ASP 110 1 n LEU 111 1 n THR 112 1 n THR 113 1 n LEU 114 1 n LYS 115 # _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 01:01:14)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 47.57 _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 46.01 1 1 A LYS 2 2 49.28 1 2 A ASP 3 2 52.25 1 3 A LEU 4 2 57.59 1 4 A ASP 5 2 57.18 1 5 A LEU 6 2 55.10 1 6 A SER 7 2 53.53 1 7 A LYS 8 2 57.72 1 8 A LEU 9 2 59.00 1 9 A LYS 10 2 54.49 1 10 A GLY 11 2 54.53 1 11 A GLU 12 2 46.13 1 12 A GLU 13 2 57.36 1 13 A ILE 14 2 53.10 1 14 A ALA 15 2 54.64 1 15 A GLN 16 2 50.51 1 16 A TRP 17 2 54.16 1 17 A LEU 18 2 51.58 1 18 A LEU 19 2 45.99 1 19 A ASN 20 2 50.31 1 20 A ASN 21 2 48.19 1 21 A LYS 22 2 32.90 1 22 A LYS 23 2 30.95 1 23 A ALA 24 2 39.21 1 24 A THR 25 2 33.61 1 25 A ALA 26 2 33.86 1 26 A ILE 27 2 39.96 1 27 A GLN 28 2 34.39 1 28 A LEU 29 2 39.03 1 29 A SER 30 2 42.71 1 30 A SER 31 2 43.08 1 31 A GLU 32 2 47.77 1 32 A ARG 33 2 48.97 1 33 A THR 34 2 55.35 1 34 A ASP 35 2 54.36 1 35 A THR 36 2 58.38 1 36 A ASP 37 2 60.34 1 37 A ASP 38 2 68.00 1 38 A GLY 39 2 71.96 1 39 A PHE 40 2 67.98 1 40 A MET 41 2 67.02 1 41 A HIS 42 2 70.28 1 42 A ILE 43 2 67.94 1 43 A LEU 44 2 68.87 1 44 A VAL 45 2 64.08 1 45 A HIS 46 2 60.51 1 46 A LYS 47 2 65.98 1 47 A ASP 48 2 61.19 1 48 A GLU 49 2 59.23 1 49 A TYR 50 2 50.95 1 50 A VAL 51 2 59.35 1 51 A GLU 52 2 64.04 1 52 A ILE 53 2 65.04 1 53 A ILE 54 2 69.88 1 54 A TYR 55 2 62.40 1 55 A SER 56 2 68.87 1 56 A TYR 57 2 62.88 1 57 A LEU 58 2 66.02 1 58 A LYS 59 2 60.97 1 59 A ILE 60 2 63.55 1 60 A ASP 61 2 61.48 1 61 A GLU 62 2 58.67 1 62 A ASP 63 2 57.15 1 63 A ASP 64 2 57.34 1 64 A VAL 65 2 60.62 1 65 A MET 66 2 60.00 1 66 A GLN 67 2 58.42 1 67 A ASN 68 2 59.22 1 68 A PHE 69 2 56.82 1 69 A THR 70 2 62.95 1 70 A ILE 71 2 58.69 1 71 A TYR 72 2 56.00 1 72 A SER 73 2 53.78 1 73 A LYS 74 2 48.90 1 74 A ARG 75 2 40.81 1 75 A TRP 76 2 38.61 1 76 A GLY 77 2 49.43 1 77 A ASN 78 2 44.80 1 78 A ILE 79 2 45.27 1 79 A ASP 80 2 43.60 1 80 A ASN 81 2 42.08 1 81 A SER 82 2 38.57 1 82 A TYR 83 2 32.93 1 83 A PHE 84 2 30.31 1 84 A GLU 85 2 31.64 1 85 A LEU 86 2 31.12 1 86 A GLN 87 2 28.68 1 87 A THR 88 2 29.84 1 88 A PHE 89 2 25.60 1 89 A GLU 90 2 33.27 1 90 A GLY 91 2 37.98 1 91 A GLU 92 2 34.94 1 92 A ILE 93 2 32.99 1 93 A PHE 94 2 28.96 1 94 A THR 95 2 34.58 1 95 A GLY 96 2 34.43 1 96 A GLU 97 2 28.14 1 97 A SER 98 2 29.24 1 98 A ASP 99 2 27.38 1 99 A LYS 100 2 24.96 1 100 A ILE 101 2 29.88 1 101 A LEU 102 2 27.73 1 102 A CYS 103 2 33.18 1 103 A GLY 104 2 34.32 1 104 A VAL 105 2 30.69 1 105 A LEU 106 2 29.70 1 106 A SER 107 2 30.66 1 107 A LEU 108 2 29.67 1 108 A GLY 109 2 34.02 1 109 A ASP 110 2 31.33 1 110 A LEU 111 2 27.84 1 111 A THR 112 2 29.36 1 112 A THR 113 2 29.08 1 113 A LEU 114 2 26.45 1 114 A LYS 115 2 23.22 1 115 # _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 LYS . 2 A 2 A 3 1 n ASP . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n ASP . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n LYS . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LYS . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n GLU . 12 A 12 A 13 1 n GLU . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n GLN . 16 A 16 A 17 1 n TRP . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ASN . 20 A 20 A 21 1 n ASN . 21 A 21 A 22 1 n LYS . 22 A 22 A 23 1 n LYS . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n THR . 25 A 25 A 26 1 n ALA . 26 A 26 A 27 1 n ILE . 27 A 27 A 28 1 n GLN . 28 A 28 A 29 1 n LEU . 29 A 29 A 30 1 n SER . 30 A 30 A 31 1 n SER . 31 A 31 A 32 1 n GLU . 32 A 32 A 33 1 n ARG . 33 A 33 A 34 1 n THR . 34 A 34 A 35 1 n ASP . 35 A 35 A 36 1 n THR . 36 A 36 A 37 1 n ASP . 37 A 37 A 38 1 n ASP . 38 A 38 A 39 1 n GLY . 39 A 39 A 40 1 n PHE . 40 A 40 A 41 1 n MET . 41 A 41 A 42 1 n HIS . 42 A 42 A 43 1 n ILE . 43 A 43 A 44 1 n LEU . 44 A 44 A 45 1 n VAL . 45 A 45 A 46 1 n HIS . 46 A 46 A 47 1 n LYS . 47 A 47 A 48 1 n ASP . 48 A 48 A 49 1 n GLU . 49 A 49 A 50 1 n TYR . 50 A 50 A 51 1 n VAL . 51 A 51 A 52 1 n GLU . 52 A 52 A 53 1 n ILE . 53 A 53 A 54 1 n ILE . 54 A 54 A 55 1 n TYR . 55 A 55 A 56 1 n SER . 56 A 56 A 57 1 n TYR . 57 A 57 A 58 1 n LEU . 58 A 58 A 59 1 n LYS . 59 A 59 A 60 1 n ILE . 60 A 60 A 61 1 n ASP . 61 A 61 A 62 1 n GLU . 62 A 62 A 63 1 n ASP . 63 A 63 A 64 1 n ASP . 64 A 64 A 65 1 n VAL . 65 A 65 A 66 1 n MET . 66 A 66 A 67 1 n GLN . 67 A 67 A 68 1 n ASN . 68 A 68 A 69 1 n PHE . 69 A 69 A 70 1 n THR . 70 A 70 A 71 1 n ILE . 71 A 71 A 72 1 n TYR . 72 A 72 A 73 1 n SER . 73 A 73 A 74 1 n LYS . 74 A 74 A 75 1 n ARG . 75 A 75 A 76 1 n TRP . 76 A 76 A 77 1 n GLY . 77 A 77 A 78 1 n ASN . 78 A 78 A 79 1 n ILE . 79 A 79 A 80 1 n ASP . 80 A 80 A 81 1 n ASN . 81 A 81 A 82 1 n SER . 82 A 82 A 83 1 n TYR . 83 A 83 A 84 1 n PHE . 84 A 84 A 85 1 n GLU . 85 A 85 A 86 1 n LEU . 86 A 86 A 87 1 n GLN . 87 A 87 A 88 1 n THR . 88 A 88 A 89 1 n PHE . 89 A 89 A 90 1 n GLU . 90 A 90 A 91 1 n GLY . 91 A 91 A 92 1 n GLU . 92 A 92 A 93 1 n ILE . 93 A 93 A 94 1 n PHE . 94 A 94 A 95 1 n THR . 95 A 95 A 96 1 n GLY . 96 A 96 A 97 1 n GLU . 97 A 97 A 98 1 n SER . 98 A 98 A 99 1 n ASP . 99 A 99 A 100 1 n LYS . 100 A 100 A 101 1 n ILE . 101 A 101 A 102 1 n LEU . 102 A 102 A 103 1 n CYS . 103 A 103 A 104 1 n GLY . 104 A 104 A 105 1 n VAL . 105 A 105 A 106 1 n LEU . 106 A 106 A 107 1 n SER . 107 A 107 A 108 1 n LEU . 108 A 108 A 109 1 n GLY . 109 A 109 A 110 1 n ASP . 110 A 110 A 111 1 n LEU . 111 A 111 A 112 1 n THR . 112 A 112 A 113 1 n THR . 113 A 113 A 114 1 n LEU . 114 A 114 A 115 1 n LYS . 115 A 115 # _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 ? -16.969 -6.011 -7.088 1.00 46.96 1 A 1 ATOM 2 C CA . MET A 1 1 ? -16.391 -6.412 -5.781 1.00 49.75 1 A 1 ATOM 3 C C . MET A 1 1 ? -16.937 -5.445 -4.753 1.00 52.10 1 A 1 ATOM 4 O O . MET A 1 1 ? -17.033 -4.275 -5.082 1.00 49.86 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.856 -6.379 -5.824 1.00 48.82 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.290 -7.763 -6.155 1.00 43.33 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.628 -7.767 -6.860 1.00 40.12 1 A 1 ATOM 8 C CE . MET A 1 1 ? -11.622 -7.151 -5.484 1.00 37.14 1 A 1 ATOM 9 N N . LYS A 1 2 ? -17.388 -5.917 -3.587 1.00 51.16 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -17.760 -5.006 -2.491 1.00 55.36 2 A 1 ATOM 11 C C . LYS A 1 2 ? -16.484 -4.340 -1.982 1.00 56.71 2 A 1 ATOM 12 O O . LYS A 1 2 ? -15.505 -5.055 -1.776 1.00 54.48 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -18.446 -5.765 -1.342 1.00 53.67 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -19.921 -6.076 -1.629 1.00 48.31 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -20.568 -6.793 -0.429 1.00 45.03 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -22.067 -6.986 -0.663 1.00 42.04 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -22.715 -7.675 0.478 1.00 36.80 2 A 1 ATOM 18 N N . ASP A 1 3 ? -16.529 -3.022 -1.789 1.00 53.72 3 A 1 ATOM 19 C CA . ASP A 1 3 ? -15.449 -2.288 -1.133 1.00 56.64 3 A 1 ATOM 20 C C . ASP A 1 3 ? -15.210 -2.910 0.244 1.00 58.10 3 A 1 ATOM 21 O O . ASP A 1 3 ? -16.128 -3.043 1.063 1.00 57.19 3 A 1 ATOM 22 C CB . ASP A 1 3 ? -15.793 -0.794 -1.044 1.00 54.27 3 A 1 ATOM 23 C CG . ASP A 1 3 ? -15.978 -0.176 -2.433 1.00 48.47 3 A 1 ATOM 24 O OD1 . ASP A 1 3 ? -15.200 -0.549 -3.336 1.00 45.25 3 A 1 ATOM 25 O OD2 . ASP A 1 3 ? -16.981 0.550 -2.601 1.00 44.38 3 A 1 ATOM 26 N N . LEU A 1 4 ? -14.003 -3.409 0.451 1.00 58.74 4 A 1 ATOM 27 C CA . LEU A 1 4 ? -13.626 -4.065 1.691 1.00 60.57 4 A 1 ATOM 28 C C . LEU A 1 4 ? -13.230 -2.985 2.699 1.00 61.55 4 A 1 ATOM 29 O O . LEU A 1 4 ? -12.247 -2.276 2.507 1.00 59.06 4 A 1 ATOM 30 C CB . LEU A 1 4 ? -12.500 -5.074 1.414 1.00 59.18 4 A 1 ATOM 31 C CG . LEU A 1 4 ? -12.181 -5.967 2.625 1.00 54.70 4 A 1 ATOM 32 C CD1 . LEU A 1 4 ? -13.274 -7.008 2.870 1.00 53.60 4 A 1 ATOM 33 C CD2 . LEU A 1 4 ? -10.878 -6.714 2.372 1.00 53.35 4 A 1 ATOM 34 N N . ASP A 1 5 ? -14.005 -2.873 3.758 1.00 58.76 5 A 1 ATOM 35 C CA . ASP A 1 5 ? -13.729 -1.959 4.865 1.00 60.84 5 A 1 ATOM 36 C C . ASP A 1 5 ? -12.570 -2.514 5.712 1.00 60.94 5 A 1 ATOM 37 O O . ASP A 1 5 ? -12.756 -3.420 6.531 1.00 59.88 5 A 1 ATOM 38 C CB . ASP A 1 5 ? -15.035 -1.781 5.648 1.00 59.06 5 A 1 ATOM 39 C CG . ASP A 1 5 ? -14.939 -0.834 6.835 1.00 53.91 5 A 1 ATOM 40 O OD1 . ASP A 1 5 ? -13.842 -0.301 7.104 1.00 52.46 5 A 1 ATOM 41 O OD2 . ASP A 1 5 ? -16.000 -0.713 7.498 1.00 51.62 5 A 1 ATOM 42 N N . LEU A 1 6 ? -11.370 -1.972 5.481 1.00 59.04 6 A 1 ATOM 43 C CA . LEU A 1 6 ? -10.139 -2.403 6.149 1.00 58.56 6 A 1 ATOM 44 C C . LEU A 1 6 ? -10.200 -2.231 7.675 1.00 59.08 6 A 1 ATOM 45 O O . LEU A 1 6 ? -9.539 -2.977 8.386 1.00 57.41 6 A 1 ATOM 46 C CB . LEU A 1 6 ? -8.936 -1.640 5.565 1.00 55.93 6 A 1 ATOM 47 C CG . LEU A 1 6 ? -8.635 -1.892 4.074 1.00 52.43 6 A 1 ATOM 48 C CD1 . LEU A 1 6 ? -7.433 -1.052 3.649 1.00 49.97 6 A 1 ATOM 49 C CD2 . LEU A 1 6 ? -8.313 -3.358 3.782 1.00 48.41 6 A 1 ATOM 50 N N . SER A 1 7 ? -11.031 -1.318 8.190 1.00 55.47 7 A 1 ATOM 51 C CA . SER A 1 7 ? -11.184 -1.099 9.639 1.00 55.40 7 A 1 ATOM 52 C C . SER A 1 7 ? -11.774 -2.306 10.385 1.00 56.64 7 A 1 ATOM 53 O O . SER A 1 7 ? -11.706 -2.377 11.608 1.00 54.99 7 A 1 ATOM 54 C CB . SER A 1 7 ? -12.040 0.145 9.899 1.00 51.80 7 A 1 ATOM 55 O OG . SER A 1 7 ? -13.412 -0.086 9.638 1.00 46.89 7 A 1 ATOM 56 N N . LYS A 1 8 ? -12.359 -3.250 9.651 1.00 59.31 8 A 1 ATOM 57 C CA . LYS A 1 8 ? -12.973 -4.464 10.209 1.00 61.39 8 A 1 ATOM 58 C C . LYS A 1 8 ? -12.052 -5.686 10.188 1.00 61.98 8 A 1 ATOM 59 O O . LYS A 1 8 ? -12.433 -6.725 10.718 1.00 60.51 8 A 1 ATOM 60 C CB . LYS A 1 8 ? -14.274 -4.766 9.462 1.00 60.43 8 A 1 ATOM 61 C CG . LYS A 1 8 ? -15.319 -3.678 9.735 1.00 58.02 8 A 1 ATOM 62 C CD . LYS A 1 8 ? -16.609 -3.986 8.972 1.00 56.47 8 A 1 ATOM 63 C CE . LYS A 1 8 ? -17.649 -2.934 9.356 1.00 53.38 8 A 1 ATOM 64 N NZ . LYS A 1 8 ? -18.129 -2.193 8.184 1.00 47.98 8 A 1 ATOM 65 N N . LEU A 1 9 ? -10.891 -5.570 9.548 1.00 60.64 9 A 1 ATOM 66 C CA . LEU A 1 9 ? -9.926 -6.657 9.428 1.00 61.31 9 A 1 ATOM 67 C C . LEU A 1 9 ? -8.873 -6.570 10.534 1.00 60.21 9 A 1 ATOM 68 O O . LEU A 1 9 ? -8.526 -5.486 10.993 1.00 58.91 9 A 1 ATOM 69 C CB . LEU A 1 9 ? -9.276 -6.625 8.041 1.00 59.85 9 A 1 ATOM 70 C CG . LEU A 1 9 ? -10.232 -6.823 6.855 1.00 57.85 9 A 1 ATOM 71 C CD1 . LEU A 1 9 ? -9.400 -6.799 5.569 1.00 56.64 9 A 1 ATOM 72 C CD2 . LEU A 1 9 ? -10.987 -8.150 6.907 1.00 56.56 9 A 1 ATOM 73 N N . LYS A 1 10 ? -8.313 -7.712 10.920 1.00 59.53 10 A 1 ATOM 74 C CA . LYS A 1 10 ? -7.119 -7.767 11.768 1.00 60.06 10 A 1 ATOM 75 C C . LYS A 1 10 ? -5.860 -7.505 10.934 1.00 59.24 10 A 1 ATOM 76 O O . LYS A 1 10 ? -5.852 -7.753 9.730 1.00 56.22 10 A 1 ATOM 77 C CB . LYS A 1 10 ? -7.042 -9.123 12.476 1.00 57.90 10 A 1 ATOM 78 C CG . LYS A 1 10 ? -8.220 -9.327 13.436 1.00 54.30 10 A 1 ATOM 79 C CD . LYS A 1 10 ? -8.065 -10.673 14.145 1.00 51.85 10 A 1 ATOM 80 C CE . LYS A 1 10 ? -9.221 -10.871 15.117 1.00 48.48 10 A 1 ATOM 81 N NZ . LYS A 1 10 ? -9.084 -12.172 15.814 1.00 42.83 10 A 1 ATOM 82 N N . GLY A 1 11 ? -4.767 -7.079 11.560 1.00 55.10 11 A 1 ATOM 83 C CA . GLY A 1 11 ? -3.524 -6.731 10.859 1.00 53.80 11 A 1 ATOM 84 C C . GLY A 1 11 ? -2.986 -7.817 9.932 1.00 55.74 11 A 1 ATOM 85 O O . GLY A 1 11 ? -2.599 -7.525 8.801 1.00 53.46 11 A 1 ATOM 86 N N . GLU A 1 12 ? -3.038 -9.084 10.345 1.00 49.92 12 A 1 ATOM 87 C CA . GLU A 1 12 ? -2.654 -10.216 9.488 1.00 51.49 12 A 1 ATOM 88 C C . GLU A 1 12 ? -3.571 -10.356 8.256 1.00 53.80 12 A 1 ATOM 89 O O . GLU A 1 12 ? -3.092 -10.645 7.160 1.00 52.56 12 A 1 ATOM 90 C CB . GLU A 1 12 ? -2.659 -11.535 10.289 1.00 49.32 12 A 1 ATOM 91 C CG . GLU A 1 12 ? -1.554 -11.606 11.369 1.00 43.48 12 A 1 ATOM 92 C CD . GLU A 1 12 ? -1.440 -12.991 12.045 1.00 40.08 12 A 1 ATOM 93 O OE1 . GLU A 1 12 ? -0.344 -13.306 12.583 1.00 37.32 12 A 1 ATOM 94 O OE2 . GLU A 1 12 ? -2.427 -13.765 12.015 1.00 37.22 12 A 1 ATOM 95 N N . GLU A 1 13 ? -4.875 -10.109 8.404 1.00 57.03 13 A 1 ATOM 96 C CA . GLU A 1 13 ? -5.849 -10.181 7.307 1.00 59.98 13 A 1 ATOM 97 C C . GLU A 1 13 ? -5.667 -9.011 6.334 1.00 60.08 13 A 1 ATOM 98 O O . GLU A 1 13 ? -5.755 -9.208 5.121 1.00 60.38 13 A 1 ATOM 99 C CB . GLU A 1 13 ? -7.283 -10.191 7.862 1.00 60.09 13 A 1 ATOM 100 C CG . GLU A 1 13 ? -7.578 -11.392 8.777 1.00 56.71 13 A 1 ATOM 101 C CD . GLU A 1 13 ? -8.964 -11.308 9.440 1.00 54.28 13 A 1 ATOM 102 O OE1 . GLU A 1 13 ? -9.682 -12.330 9.434 1.00 53.62 13 A 1 ATOM 103 O OE2 . GLU A 1 13 ? -9.287 -10.235 10.005 1.00 54.08 13 A 1 ATOM 104 N N . ILE A 1 14 ? -5.345 -7.813 6.845 1.00 55.26 14 A 1 ATOM 105 C CA . ILE A 1 14 ? -5.019 -6.634 6.030 1.00 55.68 14 A 1 ATOM 106 C C . ILE A 1 14 ? -3.736 -6.875 5.240 1.00 55.75 14 A 1 ATOM 107 O O . ILE A 1 14 ? -3.722 -6.686 4.025 1.00 54.83 14 A 1 ATOM 108 C CB . ILE A 1 14 ? -4.907 -5.365 6.907 1.00 54.63 14 A 1 ATOM 109 C CG1 . ILE A 1 14 ? -6.283 -5.054 7.532 1.00 50.77 14 A 1 ATOM 110 C CG2 . ILE A 1 14 ? -4.409 -4.159 6.083 1.00 49.91 14 A 1 ATOM 111 C CD1 . ILE A 1 14 ? -6.255 -3.940 8.574 1.00 47.98 14 A 1 ATOM 112 N N . ALA A 1 15 ? -2.675 -7.345 5.906 1.00 55.40 15 A 1 ATOM 113 C CA . ALA A 1 15 ? -1.414 -7.678 5.250 1.00 54.88 15 A 1 ATOM 114 C C . ALA A 1 15 ? -1.623 -8.741 4.157 1.00 56.18 15 A 1 ATOM 115 O O . ALA A 1 15 ? -1.202 -8.556 3.019 1.00 54.39 15 A 1 ATOM 116 C CB . ALA A 1 15 ? -0.413 -8.136 6.319 1.00 52.36 15 A 1 ATOM 117 N N . GLN A 1 16 ? -2.351 -9.813 4.457 1.00 54.08 16 A 1 ATOM 118 C CA . GLN A 1 16 ? -2.674 -10.860 3.486 1.00 55.25 16 A 1 ATOM 119 C C . GLN A 1 16 ? -3.527 -10.331 2.328 1.00 55.93 16 A 1 ATOM 120 O O . GLN A 1 16 ? -3.346 -10.735 1.178 1.00 54.55 16 A 1 ATOM 121 C CB . GLN A 1 16 ? -3.402 -12.002 4.214 1.00 53.83 16 A 1 ATOM 122 C CG . GLN A 1 16 ? -3.381 -13.311 3.412 1.00 48.93 16 A 1 ATOM 123 C CD . GLN A 1 16 ? -2.019 -13.999 3.434 1.00 46.42 16 A 1 ATOM 124 O OE1 . GLN A 1 16 ? -1.263 -13.928 4.382 1.00 44.01 16 A 1 ATOM 125 N NE2 . GLN A 1 16 ? -1.641 -14.706 2.394 1.00 41.57 16 A 1 ATOM 126 N N . TRP A 1 17 ? -4.469 -9.412 2.599 1.00 59.30 17 A 1 ATOM 127 C CA . TRP A 1 17 ? -5.292 -8.794 1.569 1.00 59.55 17 A 1 ATOM 128 C C . TRP A 1 17 ? -4.462 -7.893 0.650 1.00 58.28 17 A 1 ATOM 129 O O . TRP A 1 17 ? -4.608 -8.002 -0.567 1.00 57.40 17 A 1 ATOM 130 C CB . TRP A 1 17 ? -6.459 -8.042 2.204 1.00 59.25 17 A 1 ATOM 131 C CG . TRP A 1 17 ? -7.414 -7.463 1.208 1.00 57.55 17 A 1 ATOM 132 C CD1 . TRP A 1 17 ? -8.498 -8.086 0.694 1.00 52.56 17 A 1 ATOM 133 C CD2 . TRP A 1 17 ? -7.352 -6.161 0.547 1.00 53.53 17 A 1 ATOM 134 N NE1 . TRP A 1 17 ? -9.114 -7.270 -0.229 1.00 50.55 17 A 1 ATOM 135 C CE2 . TRP A 1 17 ? -8.442 -6.074 -0.364 1.00 51.26 17 A 1 ATOM 136 C CE3 . TRP A 1 17 ? -6.479 -5.058 0.624 1.00 50.45 17 A 1 ATOM 137 C CZ2 . TRP A 1 17 ? -8.657 -4.939 -1.164 1.00 51.09 17 A 1 ATOM 138 C CZ3 . TRP A 1 17 ? -6.687 -3.914 -0.176 1.00 48.42 17 A 1 ATOM 139 C CH2 . TRP A 1 17 ? -7.772 -3.856 -1.065 1.00 49.09 17 A 1 ATOM 140 N N . LEU A 1 18 ? -3.552 -7.074 1.204 1.00 56.05 18 A 1 ATOM 141 C CA . LEU A 1 18 ? -2.625 -6.241 0.430 1.00 55.10 18 A 1 ATOM 142 C C . LEU A 1 18 ? -1.680 -7.096 -0.426 1.00 54.44 18 A 1 ATOM 143 O O . LEU A 1 18 ? -1.479 -6.800 -1.601 1.00 52.69 18 A 1 ATOM 144 C CB . LEU A 1 18 ? -1.822 -5.339 1.388 1.00 52.94 18 A 1 ATOM 145 C CG . LEU A 1 18 ? -2.629 -4.194 2.028 1.00 49.16 18 A 1 ATOM 146 C CD1 . LEU A 1 18 ? -1.796 -3.533 3.124 1.00 46.75 18 A 1 ATOM 147 C CD2 . LEU A 1 18 ? -3.012 -3.119 1.010 1.00 45.51 18 A 1 ATOM 148 N N . LEU A 1 19 ? -1.169 -8.202 0.125 1.00 50.20 19 A 1 ATOM 149 C CA . LEU A 1 19 ? -0.316 -9.154 -0.594 1.00 49.88 19 A 1 ATOM 150 C C . LEU A 1 19 ? -1.052 -9.839 -1.761 1.00 50.67 19 A 1 ATOM 151 O O . LEU A 1 19 ? -0.475 -10.052 -2.828 1.00 48.66 19 A 1 ATOM 152 C CB . LEU A 1 19 ? 0.218 -10.203 0.401 1.00 47.08 19 A 1 ATOM 153 C CG . LEU A 1 19 ? 1.274 -9.682 1.399 1.00 42.93 19 A 1 ATOM 154 C CD1 . LEU A 1 19 ? 1.525 -10.733 2.481 1.00 39.61 19 A 1 ATOM 155 C CD2 . LEU A 1 19 ? 2.612 -9.380 0.732 1.00 38.87 19 A 1 ATOM 156 N N . ASN A 1 20 ? -2.328 -10.178 -1.581 1.00 52.37 20 A 1 ATOM 157 C CA . ASN A 1 20 ? -3.110 -10.900 -2.585 1.00 53.38 20 A 1 ATOM 158 C C . ASN A 1 20 ? -3.781 -9.982 -3.617 1.00 53.28 20 A 1 ATOM 159 O O . ASN A 1 20 ? -4.039 -10.405 -4.747 1.00 51.61 20 A 1 ATOM 160 C CB . ASN A 1 20 ? -4.142 -11.774 -1.857 1.00 51.92 20 A 1 ATOM 161 C CG . ASN A 1 20 ? -3.517 -12.949 -1.120 1.00 48.25 20 A 1 ATOM 162 O OD1 . ASN A 1 20 ? -2.474 -13.470 -1.467 1.00 46.17 20 A 1 ATOM 163 N ND2 . ASN A 1 20 ? -4.165 -13.444 -0.093 1.00 45.52 20 A 1 ATOM 164 N N . ASN A 1 21 ? -4.070 -8.731 -3.262 1.00 51.36 21 A 1 ATOM 165 C CA . ASN A 1 21 ? -4.745 -7.768 -4.121 1.00 51.07 21 A 1 ATOM 166 C C . ASN A 1 21 ? -3.759 -6.689 -4.575 1.00 49.20 21 A 1 ATOM 167 O O . ASN A 1 21 ? -3.618 -5.650 -3.944 1.00 47.57 21 A 1 ATOM 168 C CB . ASN A 1 21 ? -5.984 -7.199 -3.411 1.00 49.73 21 A 1 ATOM 169 C CG . ASN A 1 21 ? -7.022 -8.267 -3.149 1.00 46.63 21 A 1 ATOM 170 O OD1 . ASN A 1 21 ? -7.814 -8.616 -4.005 1.00 45.25 21 A 1 ATOM 171 N ND2 . ASN A 1 21 ? -7.029 -8.842 -1.970 1.00 44.74 21 A 1 ATOM 172 N N . LYS A 1 22 ? -3.126 -6.915 -5.732 1.00 38.61 22 A 1 ATOM 173 C CA . LYS A 1 22 ? -2.157 -6.011 -6.384 1.00 37.84 22 A 1 ATOM 174 C C . LYS A 1 22 ? -2.717 -4.632 -6.806 1.00 37.71 22 A 1 ATOM 175 O O . LYS A 1 22 ? -2.110 -3.957 -7.638 1.00 35.52 22 A 1 ATOM 176 C CB . LYS A 1 22 ? -1.530 -6.728 -7.595 1.00 34.65 22 A 1 ATOM 177 C CG . LYS A 1 22 ? -0.784 -8.018 -7.227 1.00 31.10 22 A 1 ATOM 178 C CD . LYS A 1 22 ? -0.064 -8.578 -8.459 1.00 29.23 22 A 1 ATOM 179 C CE . LYS A 1 22 ? 0.733 -9.823 -8.070 1.00 26.67 22 A 1 ATOM 180 N NZ . LYS A 1 22 ? 1.583 -10.308 -9.185 1.00 24.81 22 A 1 ATOM 181 N N . LYS A 1 23 ? -3.884 -4.231 -6.315 1.00 35.11 23 A 1 ATOM 182 C CA . LYS A 1 23 ? -4.563 -2.974 -6.622 1.00 34.85 23 A 1 ATOM 183 C C . LYS A 1 23 ? -5.164 -2.397 -5.346 1.00 35.01 23 A 1 ATOM 184 O O . LYS A 1 23 ? -6.241 -2.814 -4.928 1.00 33.95 23 A 1 ATOM 185 C CB . LYS A 1 23 ? -5.650 -3.197 -7.685 1.00 32.54 23 A 1 ATOM 186 C CG . LYS A 1 23 ? -5.085 -3.587 -9.054 1.00 29.53 23 A 1 ATOM 187 C CD . LYS A 1 23 ? -6.206 -3.623 -10.094 1.00 27.83 23 A 1 ATOM 188 C CE . LYS A 1 23 ? -5.631 -3.941 -11.472 1.00 25.81 23 A 1 ATOM 189 N NZ . LYS A 1 23 ? -6.666 -3.815 -12.524 1.00 23.92 23 A 1 ATOM 190 N N . ALA A 1 24 ? -4.491 -1.422 -4.759 1.00 40.06 24 A 1 ATOM 191 C CA . ALA A 1 24 ? -5.075 -0.578 -3.722 1.00 39.77 24 A 1 ATOM 192 C C . ALA A 1 24 ? -5.920 0.521 -4.394 1.00 39.91 24 A 1 ATOM 193 O O . ALA A 1 24 ? -5.490 1.657 -4.508 1.00 38.53 24 A 1 ATOM 194 C CB . ALA A 1 24 ? -3.946 -0.043 -2.827 1.00 37.76 24 A 1 ATOM 195 N N . THR A 1 25 ? -7.094 0.166 -4.919 1.00 34.96 25 A 1 ATOM 196 C CA . THR A 1 25 ? -7.956 1.129 -5.634 1.00 35.54 25 A 1 ATOM 197 C C . THR A 1 25 ? -8.720 2.085 -4.717 1.00 36.20 25 A 1 ATOM 198 O O . THR A 1 25 ? -9.200 3.102 -5.197 1.00 34.72 25 A 1 ATOM 199 C CB . THR A 1 25 ? -8.925 0.444 -6.619 1.00 33.43 25 A 1 ATOM 200 O OG1 . THR A 1 25 ? -9.162 -0.908 -6.284 1.00 30.69 25 A 1 ATOM 201 C CG2 . THR A 1 25 ? -8.343 0.446 -8.031 1.00 29.70 25 A 1 ATOM 202 N N . ALA A 1 26 ? -8.809 1.797 -3.426 1.00 34.43 26 A 1 ATOM 203 C CA . ALA A 1 26 ? -9.308 2.729 -2.418 1.00 34.30 26 A 1 ATOM 204 C C . ALA A 1 26 ? -8.836 2.273 -1.030 1.00 35.38 26 A 1 ATOM 205 O O . ALA A 1 26 ? -9.405 1.351 -0.452 1.00 33.87 26 A 1 ATOM 206 C CB . ALA A 1 26 ? -10.842 2.793 -2.492 1.00 31.30 26 A 1 ATOM 207 N N . ILE A 1 27 ? -7.800 2.910 -0.494 1.00 41.70 27 A 1 ATOM 208 C CA . ILE A 1 27 ? -7.516 2.828 0.944 1.00 42.03 27 A 1 ATOM 209 C C . ILE A 1 27 ? -8.219 4.028 1.581 1.00 41.78 27 A 1 ATOM 210 O O . ILE A 1 27 ? -7.883 5.170 1.281 1.00 40.68 27 A 1 ATOM 211 C CB . ILE A 1 27 ? -5.998 2.778 1.237 1.00 41.02 27 A 1 ATOM 212 C CG1 . ILE A 1 27 ? -5.351 1.545 0.563 1.00 38.57 27 A 1 ATOM 213 C CG2 . ILE A 1 27 ? -5.779 2.730 2.754 1.00 37.85 27 A 1 ATOM 214 C CD1 . ILE A 1 27 ? -3.827 1.449 0.739 1.00 36.08 27 A 1 ATOM 215 N N . GLN A 1 28 ? -9.222 3.789 2.421 1.00 37.95 28 A 1 ATOM 216 C CA . GLN A 1 28 ? -9.729 4.844 3.297 1.00 38.07 28 A 1 ATOM 217 C C . GLN A 1 28 ? -8.643 5.142 4.332 1.00 38.58 28 A 1 ATOM 218 O O . GLN A 1 28 ? -8.429 4.377 5.268 1.00 37.08 28 A 1 ATOM 219 C CB . GLN A 1 28 ? -11.066 4.459 3.949 1.00 36.24 28 A 1 ATOM 220 C CG . GLN A 1 28 ? -12.256 4.814 3.047 1.00 32.78 28 A 1 ATOM 221 C CD . GLN A 1 28 ? -13.608 4.577 3.717 1.00 30.65 28 A 1 ATOM 222 O OE1 . GLN A 1 28 ? -13.758 3.868 4.692 1.00 29.71 28 A 1 ATOM 223 N NE2 . GLN A 1 28 ? -14.666 5.163 3.205 1.00 28.45 28 A 1 ATOM 224 N N . LEU A 1 29 ? -7.921 6.245 4.108 1.00 42.11 29 A 1 ATOM 225 C CA . LEU A 1 29 ? -6.846 6.720 4.964 1.00 42.42 29 A 1 ATOM 226 C C . LEU A 1 29 ? -7.426 7.175 6.306 1.00 42.69 29 A 1 ATOM 227 O O . LEU A 1 29 ? -8.452 7.857 6.341 1.00 40.95 29 A 1 ATOM 228 C CB . LEU A 1 29 ? -6.098 7.850 4.236 1.00 39.57 29 A 1 ATOM 229 C CG . LEU A 1 29 ? -5.463 7.438 2.893 1.00 36.63 29 A 1 ATOM 230 C CD1 . LEU A 1 29 ? -4.940 8.665 2.146 1.00 34.14 29 A 1 ATOM 231 C CD2 . LEU A 1 29 ? -4.307 6.458 3.076 1.00 33.74 29 A 1 ATOM 232 N N . SER A 1 30 ? -6.775 6.808 7.407 1.00 43.61 30 A 1 ATOM 233 C CA . SER A 1 30 ? -7.109 7.360 8.718 1.00 44.59 30 A 1 ATOM 234 C C . SER A 1 30 ? -6.774 8.858 8.766 1.00 45.45 30 A 1 ATOM 235 O O . SER A 1 30 ? -5.997 9.378 7.966 1.00 43.70 30 A 1 ATOM 236 C CB . SER A 1 30 ? -6.457 6.550 9.851 1.00 41.45 30 A 1 ATOM 237 O OG . SER A 1 30 ? -5.270 7.143 10.318 1.00 37.47 30 A 1 ATOM 238 N N . SER A 1 31 ? -7.398 9.582 9.682 1.00 44.98 31 A 1 ATOM 239 C CA . SER A 1 31 ? -7.215 11.034 9.818 1.00 45.19 31 A 1 ATOM 240 C C . SER A 1 31 ? -5.927 11.446 10.539 1.00 47.75 31 A 1 ATOM 241 O O . SER A 1 31 ? -5.660 12.641 10.645 1.00 45.16 31 A 1 ATOM 242 C CB . SER A 1 31 ? -8.433 11.635 10.522 1.00 40.17 31 A 1 ATOM 243 O OG . SER A 1 31 ? -8.677 10.987 11.753 1.00 35.22 31 A 1 ATOM 244 N N . GLU A 1 32 ? -5.150 10.496 11.068 1.00 49.40 32 A 1 ATOM 245 C CA . GLU A 1 32 ? -3.907 10.803 11.780 1.00 52.31 32 A 1 ATOM 246 C C . GLU A 1 32 ? -2.777 11.072 10.786 1.00 53.44 32 A 1 ATOM 247 O O . GLU A 1 32 ? -2.346 10.184 10.050 1.00 52.08 32 A 1 ATOM 248 C CB . GLU A 1 32 ? -3.541 9.701 12.786 1.00 51.35 32 A 1 ATOM 249 C CG . GLU A 1 32 ? -4.531 9.673 13.965 1.00 45.65 32 A 1 ATOM 250 C CD . GLU A 1 32 ? -4.139 8.699 15.090 1.00 42.97 32 A 1 ATOM 251 O OE1 . GLU A 1 32 ? -4.846 8.716 16.122 1.00 40.46 32 A 1 ATOM 252 O OE2 . GLU A 1 32 ? -3.158 7.947 14.927 1.00 42.24 32 A 1 ATOM 253 N N . ARG A 1 33 ? -2.330 12.336 10.755 1.00 58.51 33 A 1 ATOM 254 C CA . ARG A 1 33 ? -1.191 12.805 9.962 1.00 57.87 33 A 1 ATOM 255 C C . ARG A 1 33 ? 0.013 12.976 10.874 1.00 57.77 33 A 1 ATOM 256 O O . ARG A 1 33 ? -0.125 13.516 11.968 1.00 55.37 33 A 1 ATOM 257 C CB . ARG A 1 33 ? -1.522 14.124 9.251 1.00 55.02 33 A 1 ATOM 258 C CG . ARG A 1 33 ? -2.645 13.947 8.227 1.00 49.54 33 A 1 ATOM 259 C CD . ARG A 1 33 ? -2.902 15.268 7.511 1.00 46.91 33 A 1 ATOM 260 N NE . ARG A 1 33 ? -3.996 15.137 6.537 1.00 44.06 33 A 1 ATOM 261 C CZ . ARG A 1 33 ? -4.381 16.059 5.679 1.00 39.56 33 A 1 ATOM 262 N NH1 . ARG A 1 33 ? -3.808 17.230 5.629 1.00 38.11 33 A 1 ATOM 263 N NH2 . ARG A 1 33 ? -5.354 15.811 4.850 1.00 35.95 33 A 1 ATOM 264 N N . THR A 1 34 ? 1.170 12.549 10.398 1.00 58.86 34 A 1 ATOM 265 C CA . THR A 1 34 ? 2.461 12.832 11.025 1.00 58.68 34 A 1 ATOM 266 C C . THR A 1 34 ? 3.336 13.560 10.021 1.00 59.62 34 A 1 ATOM 267 O O . THR A 1 34 ? 3.605 13.041 8.938 1.00 56.54 34 A 1 ATOM 268 C CB . THR A 1 34 ? 3.143 11.555 11.544 1.00 55.30 34 A 1 ATOM 269 O OG1 . THR A 1 34 ? 3.108 10.517 10.591 1.00 49.85 34 A 1 ATOM 270 C CG2 . THR A 1 34 ? 2.450 11.023 12.796 1.00 48.57 34 A 1 ATOM 271 N N . ASP A 1 35 ? 3.739 14.777 10.386 1.00 58.14 35 A 1 ATOM 272 C CA . ASP A 1 35 ? 4.699 15.548 9.604 1.00 58.95 35 A 1 ATOM 273 C C . ASP A 1 35 ? 6.110 15.121 10.021 1.00 59.54 35 A 1 ATOM 274 O O . ASP A 1 35 ? 6.423 15.068 11.214 1.00 57.04 35 A 1 ATOM 275 C CB . ASP A 1 35 ? 4.473 17.057 9.814 1.00 55.86 35 A 1 ATOM 276 C CG . ASP A 1 35 ? 3.095 17.550 9.346 1.00 50.65 35 A 1 ATOM 277 O OD1 . ASP A 1 35 ? 2.562 16.997 8.362 1.00 47.36 35 A 1 ATOM 278 O OD2 . ASP A 1 35 ? 2.560 18.482 9.990 1.00 47.31 35 A 1 ATOM 279 N N . THR A 1 36 ? 6.951 14.801 9.047 1.00 60.78 36 A 1 ATOM 280 C CA . THR A 1 36 ? 8.372 14.502 9.253 1.00 61.34 36 A 1 ATOM 281 C C . THR A 1 36 ? 9.234 15.502 8.488 1.00 62.57 36 A 1 ATOM 282 O O . THR A 1 36 ? 8.797 16.106 7.512 1.00 59.03 36 A 1 ATOM 283 C CB . THR A 1 36 ? 8.716 13.063 8.849 1.00 58.10 36 A 1 ATOM 284 O OG1 . THR A 1 36 ? 8.277 12.834 7.537 1.00 53.28 36 A 1 ATOM 285 C CG2 . THR A 1 36 ? 8.039 12.026 9.753 1.00 53.56 36 A 1 ATOM 286 N N . ASP A 1 37 ? 10.478 15.674 8.925 1.00 62.44 37 A 1 ATOM 287 C CA . ASP A 1 37 ? 11.419 16.633 8.325 1.00 65.22 37 A 1 ATOM 288 C C . ASP A 1 37 ? 11.894 16.236 6.908 1.00 67.60 37 A 1 ATOM 289 O O . ASP A 1 37 ? 12.675 16.954 6.289 1.00 64.26 37 A 1 ATOM 290 C CB . ASP A 1 37 ? 12.625 16.818 9.270 1.00 62.27 37 A 1 ATOM 291 C CG . ASP A 1 37 ? 12.302 17.512 10.603 1.00 56.16 37 A 1 ATOM 292 O OD1 . ASP A 1 37 ? 11.356 18.327 10.646 1.00 53.14 37 A 1 ATOM 293 O OD2 . ASP A 1 37 ? 13.045 17.249 11.578 1.00 51.60 37 A 1 ATOM 294 N N . ASP A 1 38 ? 11.438 15.105 6.378 1.00 69.58 38 A 1 ATOM 295 C CA . ASP A 1 38 ? 11.784 14.607 5.039 1.00 71.25 38 A 1 ATOM 296 C C . ASP A 1 38 ? 10.933 15.212 3.904 1.00 73.08 38 A 1 ATOM 297 O O . ASP A 1 38 ? 11.184 14.952 2.729 1.00 69.72 38 A 1 ATOM 298 C CB . ASP A 1 38 ? 11.765 13.067 5.039 1.00 68.83 38 A 1 ATOM 299 C CG . ASP A 1 38 ? 10.382 12.446 5.287 1.00 65.58 38 A 1 ATOM 300 O OD1 . ASP A 1 38 ? 9.377 13.186 5.312 1.00 62.55 38 A 1 ATOM 301 O OD2 . ASP A 1 38 ? 10.320 11.210 5.484 1.00 63.41 38 A 1 ATOM 302 N N . GLY A 1 39 ? 9.943 16.043 4.255 1.00 70.68 39 A 1 ATOM 303 C CA . GLY A 1 39 ? 9.037 16.709 3.315 1.00 71.63 39 A 1 ATOM 304 C C . GLY A 1 39 ? 7.844 15.859 2.877 1.00 73.83 39 A 1 ATOM 305 O O . GLY A 1 39 ? 6.956 16.379 2.201 1.00 71.69 39 A 1 ATOM 306 N N . PHE A 1 40 ? 7.786 14.587 3.265 1.00 69.16 40 A 1 ATOM 307 C CA . PHE A 1 40 ? 6.635 13.734 2.987 1.00 71.05 40 A 1 ATOM 308 C C . PHE A 1 40 ? 5.516 13.954 4.011 1.00 72.14 40 A 1 ATOM 309 O O . PHE A 1 40 ? 5.734 14.153 5.205 1.00 71.42 40 A 1 ATOM 310 C CB . PHE A 1 40 ? 7.035 12.260 2.931 1.00 70.02 40 A 1 ATOM 311 C CG . PHE A 1 40 ? 7.791 11.858 1.677 1.00 69.07 40 A 1 ATOM 312 C CD1 . PHE A 1 40 ? 7.115 11.193 0.633 1.00 66.02 40 A 1 ATOM 313 C CD2 . PHE A 1 40 ? 9.161 12.145 1.555 1.00 65.32 40 A 1 ATOM 314 C CE1 . PHE A 1 40 ? 7.813 10.807 -0.522 1.00 64.24 40 A 1 ATOM 315 C CE2 . PHE A 1 40 ? 9.856 11.766 0.394 1.00 64.23 40 A 1 ATOM 316 C CZ . PHE A 1 40 ? 9.183 11.095 -0.641 1.00 65.07 40 A 1 ATOM 317 N N . MET A 1 41 ? 4.292 13.860 3.528 1.00 71.58 41 A 1 ATOM 318 C CA . MET A 1 41 ? 3.107 13.728 4.371 1.00 72.29 41 A 1 ATOM 319 C C . MET A 1 41 ? 2.892 12.246 4.666 1.00 73.72 41 A 1 ATOM 320 O O . MET A 1 41 ? 2.678 11.458 3.740 1.00 72.21 41 A 1 ATOM 321 C CB . MET A 1 41 ? 1.891 14.297 3.632 1.00 70.03 41 A 1 ATOM 322 C CG . MET A 1 41 ? 1.987 15.807 3.392 1.00 63.49 41 A 1 ATOM 323 S SD . MET A 1 41 ? 1.999 16.886 4.852 1.00 59.55 41 A 1 ATOM 324 C CE . MET A 1 41 ? 0.523 16.361 5.740 1.00 53.29 41 A 1 ATOM 325 N N . HIS A 1 42 ? 2.901 11.876 5.935 1.00 73.45 42 A 1 ATOM 326 C CA . HIS A 1 42 ? 2.659 10.503 6.370 1.00 73.19 42 A 1 ATOM 327 C C . HIS A 1 42 ? 1.251 10.363 6.941 1.00 73.07 42 A 1 ATOM 328 O O . HIS A 1 42 ? 0.797 11.176 7.745 1.00 72.07 42 A 1 ATOM 329 C CB . HIS A 1 42 ? 3.720 10.062 7.378 1.00 72.61 42 A 1 ATOM 330 C CG . HIS A 1 42 ? 5.118 10.129 6.833 1.00 71.72 42 A 1 ATOM 331 N ND1 . HIS A 1 42 ? 5.799 9.113 6.183 1.00 66.34 42 A 1 ATOM 332 C CD2 . HIS A 1 42 ? 5.931 11.226 6.866 1.00 65.71 42 A 1 ATOM 333 C CE1 . HIS A 1 42 ? 6.997 9.597 5.834 1.00 67.18 42 A 1 ATOM 334 N NE2 . HIS A 1 42 ? 7.111 10.874 6.232 1.00 67.44 42 A 1 ATOM 335 N N . ILE A 1 43 ? 0.561 9.308 6.534 1.00 72.38 43 A 1 ATOM 336 C CA . ILE A 1 43 ? -0.785 8.974 6.992 1.00 71.13 43 A 1 ATOM 337 C C . ILE A 1 43 ? -0.762 7.555 7.546 1.00 71.22 43 A 1 ATOM 338 O O . ILE A 1 43 ? -0.460 6.596 6.835 1.00 69.87 43 A 1 ATOM 339 C CB . ILE A 1 43 ? -1.824 9.149 5.865 1.00 69.44 43 A 1 ATOM 340 C CG1 . ILE A 1 43 ? -1.786 10.590 5.303 1.00 64.30 43 A 1 ATOM 341 C CG2 . ILE A 1 43 ? -3.223 8.805 6.416 1.00 64.26 43 A 1 ATOM 342 C CD1 . ILE A 1 43 ? -2.749 10.866 4.150 1.00 60.88 43 A 1 ATOM 343 N N . LEU A 1 44 ? -1.129 7.420 8.817 1.00 72.51 44 A 1 ATOM 344 C CA . LEU A 1 44 ? -1.296 6.108 9.431 1.00 71.65 44 A 1 ATOM 345 C C . LEU A 1 44 ? -2.545 5.437 8.844 1.00 70.77 44 A 1 ATOM 346 O O . LEU A 1 44 ? -3.670 5.851 9.119 1.00 69.10 44 A 1 ATOM 347 C CB . LEU A 1 44 ? -1.377 6.288 10.959 1.00 70.74 44 A 1 ATOM 348 C CG . LEU A 1 44 ? -1.486 4.966 11.739 1.00 66.86 44 A 1 ATOM 349 C CD1 . LEU A 1 44 ? -0.218 4.123 11.609 1.00 65.12 44 A 1 ATOM 350 C CD2 . LEU A 1 44 ? -1.714 5.268 13.216 1.00 64.23 44 A 1 ATOM 351 N N . VAL A 1 45 ? -2.356 4.402 8.043 1.00 69.06 45 A 1 ATOM 352 C CA . VAL A 1 45 ? -3.458 3.653 7.412 1.00 66.74 45 A 1 ATOM 353 C C . VAL A 1 45 ? -4.055 2.653 8.396 1.00 66.45 45 A 1 ATOM 354 O O . VAL A 1 45 ? -5.272 2.524 8.501 1.00 64.05 45 A 1 ATOM 355 C CB . VAL A 1 45 ? -2.963 2.929 6.148 1.00 64.53 45 A 1 ATOM 356 C CG1 . VAL A 1 45 ? -4.076 2.111 5.486 1.00 59.16 45 A 1 ATOM 357 C CG2 . VAL A 1 45 ? -2.412 3.919 5.116 1.00 58.60 45 A 1 ATOM 358 N N . HIS A 1 46 ? -3.192 1.933 9.114 1.00 64.62 46 A 1 ATOM 359 C CA . HIS A 1 46 ? -3.599 0.916 10.071 1.00 65.62 46 A 1 ATOM 360 C C . HIS A 1 46 ? -2.531 0.738 11.149 1.00 67.80 46 A 1 ATOM 361 O O . HIS A 1 46 ? -1.342 0.796 10.854 1.00 67.89 46 A 1 ATOM 362 C CB . HIS A 1 46 ? -3.826 -0.409 9.346 1.00 63.55 46 A 1 ATOM 363 C CG . HIS A 1 46 ? -4.280 -1.503 10.278 1.00 60.10 46 A 1 ATOM 364 N ND1 . HIS A 1 46 ? -5.554 -1.625 10.810 1.00 55.46 46 A 1 ATOM 365 C CD2 . HIS A 1 46 ? -3.499 -2.497 10.793 1.00 53.30 46 A 1 ATOM 366 C CE1 . HIS A 1 46 ? -5.531 -2.677 11.635 1.00 53.38 46 A 1 ATOM 367 N NE2 . HIS A 1 46 ? -4.308 -3.233 11.649 1.00 53.33 46 A 1 ATOM 368 N N . LYS A 1 47 ? -2.964 0.472 12.377 1.00 68.34 47 A 1 ATOM 369 C CA . LYS A 1 47 ? -2.074 0.120 13.486 1.00 68.87 47 A 1 ATOM 370 C C . LYS A 1 47 ? -2.776 -0.829 14.438 1.00 68.72 47 A 1 ATOM 371 O O . LYS A 1 47 ? -3.843 -0.508 14.961 1.00 66.84 47 A 1 ATOM 372 C CB . LYS A 1 47 ? -1.616 1.392 14.199 1.00 68.04 47 A 1 ATOM 373 C CG . LYS A 1 47 ? -0.563 1.115 15.282 1.00 65.08 47 A 1 ATOM 374 C CD . LYS A 1 47 ? -0.069 2.446 15.853 1.00 66.35 47 A 1 ATOM 375 C CE . LYS A 1 47 ? 1.193 2.245 16.701 1.00 62.33 47 A 1 ATOM 376 N NZ . LYS A 1 47 ? 2.203 3.286 16.376 1.00 59.25 47 A 1 ATOM 377 N N . ASP A 1 48 ? -2.145 -1.964 14.699 1.00 64.75 48 A 1 ATOM 378 C CA . ASP A 1 48 ? -2.544 -2.872 15.773 1.00 64.31 48 A 1 ATOM 379 C C . ASP A 1 48 ? -1.319 -3.409 16.536 1.00 65.02 48 A 1 ATOM 380 O O . ASP A 1 48 ? -0.207 -2.870 16.454 1.00 63.09 48 A 1 ATOM 381 C CB . ASP A 1 48 ? -3.490 -3.957 15.218 1.00 61.77 48 A 1 ATOM 382 C CG . ASP A 1 48 ? -2.860 -4.980 14.271 1.00 58.32 48 A 1 ATOM 383 O OD1 . ASP A 1 48 ? -1.635 -5.217 14.344 1.00 56.59 48 A 1 ATOM 384 O OD2 . ASP A 1 48 ? -3.633 -5.620 13.530 1.00 55.67 48 A 1 ATOM 385 N N . GLU A 1 49 ? -1.509 -4.461 17.328 1.00 63.22 49 A 1 ATOM 386 C CA . GLU A 1 49 ? -0.429 -5.069 18.111 1.00 63.65 49 A 1 ATOM 387 C C . GLU A 1 49 ? 0.644 -5.775 17.260 1.00 63.37 49 A 1 ATOM 388 O O . GLU A 1 49 ? 1.742 -6.007 17.763 1.00 61.29 49 A 1 ATOM 389 C CB . GLU A 1 49 ? -1.024 -5.986 19.198 1.00 63.49 49 A 1 ATOM 390 C CG . GLU A 1 49 ? -1.774 -7.209 18.637 1.00 57.82 49 A 1 ATOM 391 C CD . GLU A 1 49 ? -2.436 -8.064 19.741 1.00 55.61 49 A 1 ATOM 392 O OE1 . GLU A 1 49 ? -3.420 -8.765 19.415 1.00 51.73 49 A 1 ATOM 393 O OE2 . GLU A 1 49 ? -1.939 -8.047 20.891 1.00 52.86 49 A 1 ATOM 394 N N . TYR A 1 50 ? 0.355 -6.063 15.993 1.00 58.55 50 A 1 ATOM 395 C CA . TYR A 1 50 ? 1.228 -6.826 15.094 1.00 58.19 50 A 1 ATOM 396 C C . TYR A 1 50 ? 1.811 -5.989 13.954 1.00 58.77 50 A 1 ATOM 397 O O . TYR A 1 50 ? 2.970 -6.196 13.589 1.00 56.36 50 A 1 ATOM 398 C CB . TYR A 1 50 ? 0.449 -8.020 14.525 1.00 55.31 50 A 1 ATOM 399 C CG . TYR A 1 50 ? -0.156 -8.931 15.577 1.00 52.03 50 A 1 ATOM 400 C CD1 . TYR A 1 50 ? 0.685 -9.737 16.374 1.00 48.83 50 A 1 ATOM 401 C CD2 . TYR A 1 50 ? -1.548 -8.948 15.786 1.00 47.69 50 A 1 ATOM 402 C CE1 . TYR A 1 50 ? 0.137 -10.530 17.404 1.00 44.89 50 A 1 ATOM 403 C CE2 . TYR A 1 50 ? -2.099 -9.739 16.817 1.00 44.19 50 A 1 ATOM 404 C CZ . TYR A 1 50 ? -1.253 -10.517 17.637 1.00 43.43 50 A 1 ATOM 405 O OH . TYR A 1 50 ? -1.777 -11.227 18.671 1.00 43.15 50 A 1 ATOM 406 N N . VAL A 1 51 ? 1.016 -5.086 13.373 1.00 60.83 51 A 1 ATOM 407 C CA . VAL A 1 51 ? 1.330 -4.405 12.115 1.00 62.12 51 A 1 ATOM 408 C C . VAL A 1 51 ? 1.006 -2.914 12.209 1.00 64.21 51 A 1 ATOM 409 O O . VAL A 1 51 ? -0.026 -2.514 12.735 1.00 63.52 51 A 1 ATOM 410 C CB . VAL A 1 51 ? 0.585 -5.060 10.927 1.00 59.54 51 A 1 ATOM 411 C CG1 . VAL A 1 51 ? 0.981 -4.426 9.588 1.00 53.25 51 A 1 ATOM 412 C CG2 . VAL A 1 51 ? 0.885 -6.563 10.806 1.00 51.96 51 A 1 ATOM 413 N N . GLU A 1 52 ? 1.887 -2.091 11.648 1.00 66.26 52 A 1 ATOM 414 C CA . GLU A 1 52 ? 1.659 -0.669 11.392 1.00 67.32 52 A 1 ATOM 415 C C . GLU A 1 52 ? 1.892 -0.397 9.905 1.00 67.48 52 A 1 ATOM 416 O O . GLU A 1 52 ? 2.898 -0.817 9.338 1.00 67.72 52 A 1 ATOM 417 C CB . GLU A 1 52 ? 2.559 0.143 12.338 1.00 66.87 52 A 1 ATOM 418 C CG . GLU A 1 52 ? 2.518 1.665 12.153 1.00 62.06 52 A 1 ATOM 419 C CD . GLU A 1 52 ? 3.120 2.393 13.368 1.00 62.26 52 A 1 ATOM 420 O OE1 . GLU A 1 52 ? 2.738 3.558 13.628 1.00 58.08 52 A 1 ATOM 421 O OE2 . GLU A 1 52 ? 3.797 1.770 14.218 1.00 58.31 52 A 1 ATOM 422 N N . ILE A 1 53 ? 0.927 0.250 9.257 1.00 68.26 53 A 1 ATOM 423 C CA . ILE A 1 53 ? 0.964 0.572 7.828 1.00 67.66 53 A 1 ATOM 424 C C . ILE A 1 53 ? 0.905 2.088 7.691 1.00 68.50 53 A 1 ATOM 425 O O . ILE A 1 53 ? -0.067 2.714 8.118 1.00 68.18 53 A 1 ATOM 426 C CB . ILE A 1 53 ? -0.176 -0.113 7.038 1.00 65.95 53 A 1 ATOM 427 C CG1 . ILE A 1 53 ? -0.221 -1.637 7.308 1.00 62.04 53 A 1 ATOM 428 C CG2 . ILE A 1 53 ? -0.016 0.185 5.533 1.00 61.38 53 A 1 ATOM 429 C CD1 . ILE A 1 53 ? -1.351 -2.385 6.587 1.00 58.37 53 A 1 ATOM 430 N N . ILE A 1 54 ? 1.926 2.661 7.081 1.00 70.48 54 A 1 ATOM 431 C CA . ILE A 1 54 ? 2.048 4.091 6.824 1.00 70.95 54 A 1 ATOM 432 C C . ILE A 1 54 ? 2.043 4.301 5.315 1.00 70.52 54 A 1 ATOM 433 O O . ILE A 1 54 ? 2.815 3.680 4.585 1.00 69.82 54 A 1 ATOM 434 C CB . ILE A 1 54 ? 3.302 4.673 7.511 1.00 71.15 54 A 1 ATOM 435 C CG1 . ILE A 1 54 ? 3.233 4.430 9.042 1.00 69.20 54 A 1 ATOM 436 C CG2 . ILE A 1 54 ? 3.437 6.173 7.197 1.00 70.15 54 A 1 ATOM 437 C CD1 . ILE A 1 54 ? 4.473 4.882 9.812 1.00 66.80 54 A 1 ATOM 438 N N . TYR A 1 55 ? 1.163 5.190 4.847 1.00 69.66 55 A 1 ATOM 439 C CA . TYR A 1 55 ? 1.186 5.729 3.495 1.00 69.73 55 A 1 ATOM 440 C C . TYR A 1 55 ? 1.854 7.097 3.530 1.00 71.29 55 A 1 ATOM 441 O O . TYR A 1 55 ? 1.408 7.977 4.262 1.00 70.82 55 A 1 ATOM 442 C CB . TYR A 1 55 ? -0.241 5.814 2.962 1.00 67.75 55 A 1 ATOM 443 C CG . TYR A 1 55 ? -0.355 6.567 1.652 1.00 63.55 55 A 1 ATOM 444 C CD1 . TYR A 1 55 ? -1.012 7.815 1.611 1.00 58.84 55 A 1 ATOM 445 C CD2 . TYR A 1 55 ? 0.201 6.031 0.478 1.00 57.43 55 A 1 ATOM 446 C CE1 . TYR A 1 55 ? -1.138 8.506 0.398 1.00 54.86 55 A 1 ATOM 447 C CE2 . TYR A 1 55 ? 0.079 6.726 -0.740 1.00 54.78 55 A 1 ATOM 448 C CZ . TYR A 1 55 ? -0.602 7.960 -0.781 1.00 55.26 55 A 1 ATOM 449 O OH . TYR A 1 55 ? -0.754 8.623 -1.953 1.00 54.86 55 A 1 ATOM 450 N N . SER A 1 56 ? 2.893 7.261 2.741 1.00 70.08 56 A 1 ATOM 451 C CA . SER A 1 56 ? 3.642 8.506 2.620 1.00 70.18 56 A 1 ATOM 452 C C . SER A 1 56 ? 3.457 9.074 1.224 1.00 70.00 56 A 1 ATOM 453 O O . SER A 1 56 ? 3.518 8.332 0.240 1.00 69.11 56 A 1 ATOM 454 C CB . SER A 1 56 ? 5.124 8.278 2.908 1.00 69.10 56 A 1 ATOM 455 O OG . SER A 1 56 ? 5.294 7.606 4.142 1.00 64.76 56 A 1 ATOM 456 N N . TYR A 1 57 ? 3.239 10.388 1.120 1.00 69.58 57 A 1 ATOM 457 C CA . TYR A 1 57 ? 3.205 11.052 -0.173 1.00 69.95 57 A 1 ATOM 458 C C . TYR A 1 57 ? 3.869 12.426 -0.120 1.00 71.04 57 A 1 ATOM 459 O O . TYR A 1 57 ? 3.814 13.135 0.886 1.00 71.18 57 A 1 ATOM 460 C CB . TYR A 1 57 ? 1.774 11.119 -0.724 1.00 68.24 57 A 1 ATOM 461 C CG . TYR A 1 57 ? 0.868 12.111 -0.022 1.00 64.27 57 A 1 ATOM 462 C CD1 . TYR A 1 57 ? 0.204 11.747 1.168 1.00 60.29 57 A 1 ATOM 463 C CD2 . TYR A 1 57 ? 0.696 13.406 -0.549 1.00 58.88 57 A 1 ATOM 464 C CE1 . TYR A 1 57 ? -0.626 12.668 1.827 1.00 55.73 57 A 1 ATOM 465 C CE2 . TYR A 1 57 ? -0.133 14.334 0.108 1.00 55.68 57 A 1 ATOM 466 C CZ . TYR A 1 57 ? -0.794 13.967 1.300 1.00 55.50 57 A 1 ATOM 467 O OH . TYR A 1 57 ? -1.588 14.865 1.946 1.00 54.23 57 A 1 ATOM 468 N N . LEU A 1 58 ? 4.476 12.802 -1.236 1.00 68.66 58 A 1 ATOM 469 C CA . LEU A 1 58 ? 5.028 14.126 -1.475 1.00 68.79 58 A 1 ATOM 470 C C . LEU A 1 58 ? 4.440 14.641 -2.785 1.00 68.54 58 A 1 ATOM 471 O O . LEU A 1 58 ? 4.627 14.027 -3.835 1.00 67.55 58 A 1 ATOM 472 C CB . LEU A 1 58 ? 6.562 14.032 -1.514 1.00 67.95 58 A 1 ATOM 473 C CG . LEU A 1 58 ? 7.272 15.340 -1.904 1.00 63.82 58 A 1 ATOM 474 C CD1 . LEU A 1 58 ? 7.070 16.436 -0.859 1.00 61.61 58 A 1 ATOM 475 C CD2 . LEU A 1 58 ? 8.773 15.086 -2.050 1.00 61.23 58 A 1 ATOM 476 N N . LYS A 1 59 ? 3.731 15.769 -2.717 1.00 66.94 59 A 1 ATOM 477 C CA . LYS A 1 59 ? 3.257 16.460 -3.907 1.00 66.66 59 A 1 ATOM 478 C C . LYS A 1 59 ? 4.402 17.304 -4.458 1.00 66.23 59 A 1 ATOM 479 O O . LYS A 1 59 ? 4.868 18.200 -3.760 1.00 65.57 59 A 1 ATOM 480 C CB . LYS A 1 59 ? 1.993 17.266 -3.569 1.00 65.10 59 A 1 ATOM 481 C CG . LYS A 1 59 ? 1.413 17.863 -4.845 1.00 59.36 59 A 1 ATOM 482 C CD . LYS A 1 59 ? 0.046 18.523 -4.658 1.00 57.34 59 A 1 ATOM 483 C CE . LYS A 1 59 ? -0.353 18.974 -6.062 1.00 53.02 59 A 1 ATOM 484 N NZ . LYS A 1 59 ? -1.697 19.572 -6.182 1.00 48.52 59 A 1 ATOM 485 N N . ILE A 1 60 ? 4.852 16.992 -5.659 1.00 66.63 60 A 1 ATOM 486 C CA . ILE A 1 60 ? 5.940 17.716 -6.333 1.00 66.39 60 A 1 ATOM 487 C C . ILE A 1 60 ? 5.369 18.946 -7.044 1.00 66.24 60 A 1 ATOM 488 O O . ILE A 1 60 ? 5.863 20.055 -6.856 1.00 63.10 60 A 1 ATOM 489 C CB . ILE A 1 60 ? 6.713 16.767 -7.283 1.00 64.90 60 A 1 ATOM 490 C CG1 . ILE A 1 60 ? 7.302 15.572 -6.492 1.00 61.59 60 A 1 ATOM 491 C CG2 . ILE A 1 60 ? 7.827 17.540 -8.011 1.00 61.65 60 A 1 ATOM 492 C CD1 . ILE A 1 60 ? 8.023 14.532 -7.353 1.00 57.93 60 A 1 ATOM 493 N N . ASP A 1 61 ? 4.270 18.760 -7.791 1.00 64.68 61 A 1 ATOM 494 C CA . ASP A 1 61 ? 3.511 19.833 -8.439 1.00 66.04 61 A 1 ATOM 495 C C . ASP A 1 61 ? 2.012 19.488 -8.550 1.00 66.32 61 A 1 ATOM 496 O O . ASP A 1 61 ? 1.472 18.773 -7.683 1.00 64.11 61 A 1 ATOM 497 C CB . ASP A 1 61 ? 4.178 20.203 -9.774 1.00 63.56 61 A 1 ATOM 498 C CG . ASP A 1 61 ? 4.264 19.055 -10.770 1.00 57.85 61 A 1 ATOM 499 O OD1 . ASP A 1 61 ? 3.273 18.298 -10.815 1.00 55.04 61 A 1 ATOM 500 O OD2 . ASP A 1 61 ? 5.279 19.040 -11.489 1.00 54.20 61 A 1 ATOM 501 N N . GLU A 1 62 ? 1.281 20.073 -9.506 1.00 63.02 62 A 1 ATOM 502 C CA . GLU A 1 62 ? -0.161 19.828 -9.660 1.00 64.55 62 A 1 ATOM 503 C C . GLU A 1 62 ? -0.484 18.390 -10.078 1.00 64.86 62 A 1 ATOM 504 O O . GLU A 1 62 ? -1.470 17.841 -9.567 1.00 62.18 62 A 1 ATOM 505 C CB . GLU A 1 62 ? -0.814 20.877 -10.583 1.00 63.94 62 A 1 ATOM 506 C CG . GLU A 1 62 ? -0.866 22.245 -9.877 1.00 56.68 62 A 1 ATOM 507 C CD . GLU A 1 62 ? -1.743 23.310 -10.558 1.00 53.33 62 A 1 ATOM 508 O OE1 . GLU A 1 62 ? -2.084 24.288 -9.841 1.00 49.54 62 A 1 ATOM 509 O OE2 . GLU A 1 62 ? -2.098 23.163 -11.743 1.00 49.90 62 A 1 ATOM 510 N N . ASP A 1 63 ? 0.371 17.782 -10.892 1.00 60.86 63 A 1 ATOM 511 C CA . ASP A 1 63 ? 0.152 16.499 -11.569 1.00 61.56 63 A 1 ATOM 512 C C . ASP A 1 63 ? 1.072 15.376 -11.050 1.00 62.24 63 A 1 ATOM 513 O O . ASP A 1 63 ? 0.727 14.197 -11.152 1.00 59.56 63 A 1 ATOM 514 C CB . ASP A 1 63 ? 0.302 16.734 -13.080 1.00 59.34 63 A 1 ATOM 515 C CG . ASP A 1 63 ? -0.711 17.753 -13.638 1.00 53.55 63 A 1 ATOM 516 O OD1 . ASP A 1 63 ? -1.903 17.682 -13.251 1.00 50.38 63 A 1 ATOM 517 O OD2 . ASP A 1 63 ? -0.304 18.608 -14.453 1.00 49.68 63 A 1 ATOM 518 N N . ASP A 1 64 ? 2.190 15.728 -10.391 1.00 61.03 64 A 1 ATOM 519 C CA . ASP A 1 64 ? 3.200 14.789 -9.908 1.00 62.53 64 A 1 ATOM 520 C C . ASP A 1 64 ? 3.121 14.564 -8.393 1.00 63.51 64 A 1 ATOM 521 O O . ASP A 1 64 ? 3.299 15.464 -7.560 1.00 61.89 64 A 1 ATOM 522 C CB . ASP A 1 64 ? 4.605 15.244 -10.322 1.00 59.27 64 A 1 ATOM 523 C CG . ASP A 1 64 ? 4.902 15.055 -11.817 1.00 52.89 64 A 1 ATOM 524 O OD1 . ASP A 1 64 ? 4.398 14.066 -12.399 1.00 49.45 64 A 1 ATOM 525 O OD2 . ASP A 1 64 ? 5.731 15.827 -12.339 1.00 48.18 64 A 1 ATOM 526 N N . VAL A 1 65 ? 2.893 13.308 -8.014 1.00 63.05 65 A 1 ATOM 527 C CA . VAL A 1 65 ? 2.857 12.863 -6.617 1.00 63.91 65 A 1 ATOM 528 C C . VAL A 1 65 ? 3.760 11.649 -6.432 1.00 65.05 65 A 1 ATOM 529 O O . VAL A 1 65 ? 3.534 10.587 -7.008 1.00 63.21 65 A 1 ATOM 530 C CB . VAL A 1 65 ? 1.422 12.563 -6.139 1.00 61.27 65 A 1 ATOM 531 C CG1 . VAL A 1 65 ? 1.401 12.216 -4.642 1.00 53.89 65 A 1 ATOM 532 C CG2 . VAL A 1 65 ? 0.481 13.758 -6.339 1.00 53.99 65 A 1 ATOM 533 N N . MET A 1 66 ? 4.760 11.786 -5.561 1.00 63.66 66 A 1 ATOM 534 C CA . MET A 1 66 ? 5.593 10.679 -5.103 1.00 64.32 66 A 1 ATOM 535 C C . MET A 1 66 ? 4.876 9.938 -3.979 1.00 65.11 66 A 1 ATOM 536 O O . MET A 1 66 ? 4.383 10.575 -3.047 1.00 63.21 66 A 1 ATOM 537 C CB . MET A 1 66 ? 6.954 11.212 -4.648 1.00 62.55 66 A 1 ATOM 538 C CG . MET A 1 66 ? 8.091 10.424 -5.293 1.00 57.61 66 A 1 ATOM 539 S SD . MET A 1 66 ? 9.745 11.092 -5.016 1.00 54.27 66 A 1 ATOM 540 C CE . MET A 1 66 ? 10.069 10.506 -3.353 1.00 49.26 66 A 1 ATOM 541 N N . GLN A 1 67 ? 4.803 8.614 -4.043 1.00 64.17 67 A 1 ATOM 542 C CA . GLN A 1 67 ? 4.057 7.801 -3.082 1.00 63.95 67 A 1 ATOM 543 C C . GLN A 1 67 ? 4.902 6.634 -2.571 1.00 64.48 67 A 1 ATOM 544 O O . GLN A 1 67 ? 5.652 6.016 -3.319 1.00 62.23 67 A 1 ATOM 545 C CB . GLN A 1 67 ? 2.753 7.286 -3.706 1.00 61.54 67 A 1 ATOM 546 C CG . GLN A 1 67 ? 1.813 8.415 -4.142 1.00 56.07 67 A 1 ATOM 547 C CD . GLN A 1 67 ? 0.476 7.914 -4.676 1.00 53.51 67 A 1 ATOM 548 O OE1 . GLN A 1 67 ? 0.256 6.747 -4.968 1.00 50.97 67 A 1 ATOM 549 N NE2 . GLN A 1 67 ? -0.503 8.778 -4.803 1.00 48.83 67 A 1 ATOM 550 N N . ASN A 1 68 ? 4.754 6.301 -1.292 1.00 63.82 68 A 1 ATOM 551 C CA . ASN A 1 68 ? 5.413 5.167 -0.661 1.00 63.94 68 A 1 ATOM 552 C C . ASN A 1 68 ? 4.469 4.493 0.341 1.00 64.64 68 A 1 ATOM 553 O O . ASN A 1 68 ? 3.692 5.154 1.021 1.00 62.91 68 A 1 ATOM 554 C CB . ASN A 1 68 ? 6.713 5.658 -0.003 1.00 61.52 68 A 1 ATOM 555 C CG . ASN A 1 68 ? 7.533 4.527 0.591 1.00 55.51 68 A 1 ATOM 556 O OD1 . ASN A 1 68 ? 7.436 3.384 0.186 1.00 51.64 68 A 1 ATOM 557 N ND2 . ASN A 1 68 ? 8.363 4.805 1.561 1.00 49.76 68 A 1 ATOM 558 N N . PHE A 1 69 ? 4.551 3.171 0.440 1.00 62.97 69 A 1 ATOM 559 C CA . PHE A 1 69 ? 3.901 2.408 1.497 1.00 63.04 69 A 1 ATOM 560 C C . PHE A 1 69 ? 4.960 1.710 2.335 1.00 63.85 69 A 1 ATOM 561 O O . PHE A 1 69 ? 5.712 0.878 1.827 1.00 62.06 69 A 1 ATOM 562 C CB . PHE A 1 69 ? 2.906 1.397 0.929 1.00 60.80 69 A 1 ATOM 563 C CG . PHE A 1 69 ? 1.588 2.004 0.507 1.00 57.37 69 A 1 ATOM 564 C CD1 . PHE A 1 69 ? 0.541 2.125 1.439 1.00 53.68 69 A 1 ATOM 565 C CD2 . PHE A 1 69 ? 1.408 2.442 -0.815 1.00 52.64 69 A 1 ATOM 566 C CE1 . PHE A 1 69 ? -0.689 2.668 1.046 1.00 49.79 69 A 1 ATOM 567 C CE2 . PHE A 1 69 ? 0.179 2.989 -1.207 1.00 49.58 69 A 1 ATOM 568 C CZ . PHE A 1 69 ? -0.873 3.098 -0.279 1.00 49.22 69 A 1 ATOM 569 N N . THR A 1 70 ? 4.974 1.987 3.634 1.00 65.46 70 A 1 ATOM 570 C CA . THR A 1 70 ? 5.850 1.316 4.591 1.00 65.64 70 A 1 ATOM 571 C C . THR A 1 70 ? 5.010 0.451 5.514 1.00 66.11 70 A 1 ATOM 572 O O . THR A 1 70 ? 4.072 0.921 6.157 1.00 64.97 70 A 1 ATOM 573 C CB . THR A 1 70 ? 6.699 2.322 5.372 1.00 63.87 70 A 1 ATOM 574 O OG1 . THR A 1 70 ? 7.395 3.165 4.488 1.00 57.89 70 A 1 ATOM 575 C CG2 . THR A 1 70 ? 7.737 1.619 6.234 1.00 56.71 70 A 1 ATOM 576 N N . ILE A 1 71 ? 5.327 -0.837 5.570 1.00 61.85 71 A 1 ATOM 577 C CA . ILE A 1 71 ? 4.673 -1.810 6.445 1.00 61.55 71 A 1 ATOM 578 C C . ILE A 1 71 ? 5.669 -2.207 7.532 1.00 61.42 71 A 1 ATOM 579 O O . ILE A 1 71 ? 6.671 -2.868 7.263 1.00 59.16 71 A 1 ATOM 580 C CB . ILE A 1 71 ? 4.142 -3.027 5.657 1.00 60.08 71 A 1 ATOM 581 C CG1 . ILE A 1 71 ? 3.201 -2.585 4.509 1.00 56.25 71 A 1 ATOM 582 C CG2 . ILE A 1 71 ? 3.437 -4.000 6.621 1.00 55.87 71 A 1 ATOM 583 C CD1 . ILE A 1 71 ? 2.678 -3.729 3.636 1.00 53.35 71 A 1 ATOM 584 N N . TYR A 1 72 ? 5.375 -1.839 8.765 1.00 62.48 72 A 1 ATOM 585 C CA . TYR A 1 72 ? 6.111 -2.281 9.938 1.00 62.57 72 A 1 ATOM 586 C C . TYR A 1 72 ? 5.405 -3.488 10.539 1.00 61.82 72 A 1 ATOM 587 O O . TYR A 1 72 ? 4.279 -3.390 11.019 1.00 58.93 72 A 1 ATOM 588 C CB . TYR A 1 72 ? 6.222 -1.144 10.953 1.00 61.12 72 A 1 ATOM 589 C CG . TYR A 1 72 ? 6.986 0.059 10.435 1.00 57.41 72 A 1 ATOM 590 C CD1 . TYR A 1 72 ? 8.386 0.103 10.548 1.00 54.47 72 A 1 ATOM 591 C CD2 . TYR A 1 72 ? 6.300 1.124 9.824 1.00 53.14 72 A 1 ATOM 592 C CE1 . TYR A 1 72 ? 9.103 1.202 10.042 1.00 50.70 72 A 1 ATOM 593 C CE2 . TYR A 1 72 ? 7.017 2.222 9.310 1.00 50.38 72 A 1 ATOM 594 C CZ . TYR A 1 72 ? 8.420 2.258 9.416 1.00 50.12 72 A 1 ATOM 595 O OH . TYR A 1 72 ? 9.118 3.303 8.897 1.00 48.86 72 A 1 ATOM 596 N N . SER A 1 73 ? 6.065 -4.642 10.553 1.00 56.63 73 A 1 ATOM 597 C CA . SER A 1 73 ? 5.554 -5.837 11.219 1.00 55.91 73 A 1 ATOM 598 C C . SER A 1 73 ? 6.460 -6.215 12.384 1.00 56.36 73 A 1 ATOM 599 O O . SER A 1 73 ? 7.650 -6.471 12.206 1.00 53.75 73 A 1 ATOM 600 C CB . SER A 1 73 ? 5.429 -6.987 10.227 1.00 53.04 73 A 1 ATOM 601 O OG . SER A 1 73 ? 5.013 -8.164 10.903 1.00 47.02 73 A 1 ATOM 602 N N . LYS A 1 74 ? 5.899 -6.353 13.578 1.00 53.87 74 A 1 ATOM 603 C CA . LYS A 1 74 ? 6.654 -6.848 14.744 1.00 53.18 74 A 1 ATOM 604 C C . LYS A 1 74 ? 7.141 -8.288 14.570 1.00 52.25 74 A 1 ATOM 605 O O . LYS A 1 74 ? 8.058 -8.706 15.269 1.00 49.89 74 A 1 ATOM 606 C CB . LYS A 1 74 ? 5.807 -6.738 16.015 1.00 51.52 74 A 1 ATOM 607 C CG . LYS A 1 74 ? 5.564 -5.283 16.425 1.00 47.96 74 A 1 ATOM 608 C CD . LYS A 1 74 ? 4.847 -5.238 17.777 1.00 47.23 74 A 1 ATOM 609 C CE . LYS A 1 74 ? 4.499 -3.800 18.144 1.00 43.99 74 A 1 ATOM 610 N NZ . LYS A 1 74 ? 3.561 -3.768 19.289 1.00 40.18 74 A 1 ATOM 611 N N . ARG A 1 75 ? 6.514 -9.047 13.660 1.00 48.86 75 A 1 ATOM 612 C CA . ARG A 1 75 ? 6.840 -10.452 13.394 1.00 47.69 75 A 1 ATOM 613 C C . ARG A 1 75 ? 7.792 -10.639 12.215 1.00 46.36 75 A 1 ATOM 614 O O . ARG A 1 75 ? 8.570 -11.587 12.230 1.00 43.89 75 A 1 ATOM 615 C CB . ARG A 1 75 ? 5.523 -11.208 13.188 1.00 44.99 75 A 1 ATOM 616 C CG . ARG A 1 75 ? 5.723 -12.722 13.139 1.00 41.57 75 A 1 ATOM 617 C CD . ARG A 1 75 ? 4.365 -13.414 13.027 1.00 40.11 75 A 1 ATOM 618 N NE . ARG A 1 75 ? 4.501 -14.875 13.026 1.00 36.85 75 A 1 ATOM 619 C CZ . ARG A 1 75 ? 3.507 -15.744 12.970 1.00 34.56 75 A 1 ATOM 620 N NH1 . ARG A 1 75 ? 2.261 -15.363 12.895 1.00 32.32 75 A 1 ATOM 621 N NH2 . ARG A 1 75 ? 3.756 -17.022 12.987 1.00 31.69 75 A 1 ATOM 622 N N . TRP A 1 76 ? 7.695 -9.774 11.200 1.00 45.12 76 A 1 ATOM 623 C CA . TRP A 1 76 ? 8.417 -9.935 9.935 1.00 44.68 76 A 1 ATOM 624 C C . TRP A 1 76 ? 9.496 -8.870 9.691 1.00 44.44 76 A 1 ATOM 625 O O . TRP A 1 76 ? 10.212 -8.958 8.707 1.00 42.57 76 A 1 ATOM 626 C CB . TRP A 1 76 ? 7.401 -9.982 8.784 1.00 42.18 76 A 1 ATOM 627 C CG . TRP A 1 76 ? 6.333 -11.037 8.874 1.00 40.74 76 A 1 ATOM 628 C CD1 . TRP A 1 76 ? 6.459 -12.256 9.454 1.00 37.13 76 A 1 ATOM 629 C CD2 . TRP A 1 76 ? 4.968 -10.993 8.351 1.00 37.48 76 A 1 ATOM 630 N NE1 . TRP A 1 76 ? 5.275 -12.964 9.332 1.00 35.64 76 A 1 ATOM 631 C CE2 . TRP A 1 76 ? 4.325 -12.232 8.652 1.00 35.47 76 A 1 ATOM 632 C CE3 . TRP A 1 76 ? 4.211 -10.034 7.639 1.00 35.57 76 A 1 ATOM 633 C CZ2 . TRP A 1 76 ? 3.002 -12.507 8.271 1.00 33.81 76 A 1 ATOM 634 C CZ3 . TRP A 1 76 ? 2.887 -10.302 7.252 1.00 33.21 76 A 1 ATOM 635 C CH2 . TRP A 1 76 ? 2.281 -11.531 7.567 1.00 32.49 76 A 1 ATOM 636 N N . GLY A 1 77 ? 9.642 -7.912 10.613 1.00 48.89 77 A 1 ATOM 637 C CA . GLY A 1 77 ? 10.513 -6.755 10.418 1.00 49.48 77 A 1 ATOM 638 C C . GLY A 1 77 ? 9.839 -5.674 9.568 1.00 50.77 77 A 1 ATOM 639 O O . GLY A 1 77 ? 8.615 -5.656 9.425 1.00 48.57 77 A 1 ATOM 640 N N . ASN A 1 78 ? 10.656 -4.765 9.034 1.00 47.40 78 A 1 ATOM 641 C CA . ASN A 1 78 ? 10.183 -3.678 8.184 1.00 48.32 78 A 1 ATOM 642 C C . ASN A 1 78 ? 10.135 -4.143 6.727 1.00 48.67 78 A 1 ATOM 643 O O . ASN A 1 78 ? 11.083 -4.763 6.244 1.00 48.17 78 A 1 ATOM 644 C CB . ASN A 1 78 ? 11.083 -2.447 8.358 1.00 45.96 78 A 1 ATOM 645 C CG . ASN A 1 78 ? 11.101 -1.894 9.772 1.00 41.66 78 A 1 ATOM 646 O OD1 . ASN A 1 78 ? 10.338 -2.268 10.655 1.00 39.35 78 A 1 ATOM 647 N ND2 . ASN A 1 78 ? 12.009 -0.992 10.051 1.00 38.84 78 A 1 ATOM 648 N N . ILE A 1 79 ? 9.033 -3.847 6.047 1.00 47.49 79 A 1 ATOM 649 C CA . ILE A 1 79 ? 8.861 -4.066 4.612 1.00 48.08 79 A 1 ATOM 650 C C . ILE A 1 79 ? 8.620 -2.696 3.982 1.00 47.96 79 A 1 ATOM 651 O O . ILE A 1 79 ? 7.522 -2.144 4.064 1.00 45.62 79 A 1 ATOM 652 C CB . ILE A 1 79 ? 7.719 -5.064 4.316 1.00 46.45 79 A 1 ATOM 653 C CG1 . ILE A 1 79 ? 7.930 -6.407 5.060 1.00 42.96 79 A 1 ATOM 654 C CG2 . ILE A 1 79 ? 7.617 -5.285 2.794 1.00 42.64 79 A 1 ATOM 655 C CD1 . ILE A 1 79 ? 6.763 -7.396 4.923 1.00 40.96 79 A 1 ATOM 656 N N . ASP A 1 80 ? 9.668 -2.159 3.361 1.00 45.45 80 A 1 ATOM 657 C CA . ASP A 1 80 ? 9.581 -0.903 2.628 1.00 46.75 80 A 1 ATOM 658 C C . ASP A 1 80 ? 9.221 -1.192 1.175 1.00 46.86 80 A 1 ATOM 659 O O . ASP A 1 80 ? 9.866 -2.005 0.509 1.00 44.85 80 A 1 ATOM 660 C CB . ASP A 1 80 ? 10.893 -0.117 2.764 1.00 44.77 80 A 1 ATOM 661 C CG . ASP A 1 80 ? 11.183 0.272 4.220 1.00 41.52 80 A 1 ATOM 662 O OD1 . ASP A 1 80 ? 10.217 0.623 4.942 1.00 39.70 80 A 1 ATOM 663 O OD2 . ASP A 1 80 ? 12.367 0.190 4.613 1.00 38.87 80 A 1 ATOM 664 N N . ASN A 1 81 ? 8.162 -0.544 0.682 1.00 44.64 81 A 1 ATOM 665 C CA . ASN A 1 81 ? 7.698 -0.689 -0.687 1.00 45.18 81 A 1 ATOM 666 C C . ASN A 1 81 ? 7.510 0.703 -1.308 1.00 44.97 81 A 1 ATOM 667 O O . ASN A 1 81 ? 6.443 1.310 -1.217 1.00 43.38 81 A 1 ATOM 668 C CB . ASN A 1 81 ? 6.436 -1.559 -0.686 1.00 43.22 81 A 1 ATOM 669 C CG . ASN A 1 81 ? 6.192 -2.218 -2.028 1.00 39.86 81 A 1 ATOM 670 O OD1 . ASN A 1 81 ? 6.882 -2.039 -3.018 1.00 37.66 81 A 1 ATOM 671 N ND2 . ASN A 1 81 ? 5.200 -3.069 -2.086 1.00 37.76 81 A 1 ATOM 672 N N . SER A 1 82 ? 8.588 1.202 -1.882 1.00 40.71 82 A 1 ATOM 673 C CA . SER A 1 82 ? 8.621 2.519 -2.511 1.00 40.42 82 A 1 ATOM 674 C C . SER A 1 82 ? 8.207 2.420 -3.975 1.00 40.41 82 A 1 ATOM 675 O O . SER A 1 82 ? 8.735 1.593 -4.724 1.00 38.31 82 A 1 ATOM 676 C CB . SER A 1 82 ? 10.012 3.141 -2.373 1.00 37.32 82 A 1 ATOM 677 O OG . SER A 1 82 ? 10.425 3.138 -1.017 1.00 34.24 82 A 1 ATOM 678 N N . TYR A 1 83 ? 7.273 3.265 -4.396 1.00 38.47 83 A 1 ATOM 679 C CA . TYR A 1 83 ? 6.849 3.418 -5.780 1.00 38.28 83 A 1 ATOM 680 C C . TYR A 1 83 ? 7.245 4.806 -6.289 1.00 38.45 83 A 1 ATOM 681 O O . TYR A 1 83 ? 6.907 5.818 -5.680 1.00 37.10 83 A 1 ATOM 682 C CB . TYR A 1 83 ? 5.343 3.183 -5.888 1.00 35.83 83 A 1 ATOM 683 C CG . TYR A 1 83 ? 4.816 3.287 -7.309 1.00 33.20 83 A 1 ATOM 684 C CD1 . TYR A 1 83 ? 4.149 4.453 -7.743 1.00 31.21 83 A 1 ATOM 685 C CD2 . TYR A 1 83 ? 4.999 2.217 -8.202 1.00 30.68 83 A 1 ATOM 686 C CE1 . TYR A 1 83 ? 3.646 4.529 -9.057 1.00 28.71 83 A 1 ATOM 687 C CE2 . TYR A 1 83 ? 4.501 2.294 -9.517 1.00 28.80 83 A 1 ATOM 688 C CZ . TYR A 1 83 ? 3.813 3.445 -9.943 1.00 28.04 83 A 1 ATOM 689 O OH . TYR A 1 83 ? 3.306 3.495 -11.205 1.00 26.41 83 A 1 ATOM 690 N N . PHE A 1 84 ? 7.944 4.824 -7.409 1.00 34.68 84 A 1 ATOM 691 C CA . PHE A 1 84 ? 8.298 6.044 -8.126 1.00 34.34 84 A 1 ATOM 692 C C . PHE A 1 84 ? 7.752 5.945 -9.545 1.00 34.90 84 A 1 ATOM 693 O O . PHE A 1 84 ? 8.054 4.977 -10.250 1.00 33.75 84 A 1 ATOM 694 C CB . PHE A 1 84 ? 9.821 6.234 -8.148 1.00 32.33 84 A 1 ATOM 695 C CG . PHE A 1 84 ? 10.465 6.387 -6.780 1.00 29.84 84 A 1 ATOM 696 C CD1 . PHE A 1 84 ? 10.566 7.663 -6.196 1.00 27.63 84 A 1 ATOM 697 C CD2 . PHE A 1 84 ? 10.956 5.264 -6.092 1.00 27.78 84 A 1 ATOM 698 C CE1 . PHE A 1 84 ? 11.157 7.815 -4.930 1.00 25.71 84 A 1 ATOM 699 C CE2 . PHE A 1 84 ? 11.543 5.419 -4.821 1.00 26.39 84 A 1 ATOM 700 C CZ . PHE A 1 84 ? 11.642 6.695 -4.240 1.00 26.04 84 A 1 ATOM 701 N N . GLU A 1 85 ? 6.986 6.937 -9.983 1.00 33.55 85 A 1 ATOM 702 C CA . GLU A 1 85 ? 6.655 7.092 -11.400 1.00 34.00 85 A 1 ATOM 703 C C . GLU A 1 85 ? 7.351 8.349 -11.921 1.00 34.29 85 A 1 ATOM 704 O O . GLU A 1 85 ? 6.849 9.457 -11.816 1.00 33.57 85 A 1 ATOM 705 C CB . GLU A 1 85 ? 5.145 7.043 -11.637 1.00 33.11 85 A 1 ATOM 706 C CG . GLU A 1 85 ? 4.834 6.698 -13.111 1.00 30.69 85 A 1 ATOM 707 C CD . GLU A 1 85 ? 3.389 6.237 -13.308 1.00 29.49 85 A 1 ATOM 708 O OE1 . GLU A 1 85 ? 3.107 5.512 -14.294 1.00 27.88 85 A 1 ATOM 709 O OE2 . GLU A 1 85 ? 2.559 6.515 -12.428 1.00 28.17 85 A 1 ATOM 710 N N . LEU A 1 86 ? 8.546 8.146 -12.447 1.00 33.21 86 A 1 ATOM 711 C CA . LEU A 1 86 ? 9.231 9.086 -13.331 1.00 33.25 86 A 1 ATOM 712 C C . LEU A 1 86 ? 9.569 8.302 -14.593 1.00 33.39 86 A 1 ATOM 713 O O . LEU A 1 86 ? 10.556 7.564 -14.640 1.00 32.58 86 A 1 ATOM 714 C CB . LEU A 1 86 ? 10.474 9.672 -12.626 1.00 31.89 86 A 1 ATOM 715 C CG . LEU A 1 86 ? 10.182 10.949 -11.814 1.00 29.33 86 A 1 ATOM 716 C CD1 . LEU A 1 86 ? 11.269 11.175 -10.764 1.00 27.00 86 A 1 ATOM 717 C CD2 . LEU A 1 86 ? 10.140 12.181 -12.724 1.00 28.31 86 A 1 ATOM 718 N N . GLN A 1 87 ? 8.722 8.409 -15.614 1.00 31.26 87 A 1 ATOM 719 C CA . GLN A 1 87 ? 9.088 7.896 -16.929 1.00 31.13 87 A 1 ATOM 720 C C . GLN A 1 87 ? 9.998 8.916 -17.600 1.00 31.38 87 A 1 ATOM 721 O O . GLN A 1 87 ? 9.552 9.956 -18.073 1.00 30.49 87 A 1 ATOM 722 C CB . GLN A 1 87 ? 7.861 7.536 -17.779 1.00 30.25 87 A 1 ATOM 723 C CG . GLN A 1 87 ? 7.258 6.197 -17.333 1.00 27.64 87 A 1 ATOM 724 C CD . GLN A 1 87 ? 6.199 5.648 -18.286 1.00 25.63 87 A 1 ATOM 725 O OE1 . GLN A 1 87 ? 5.904 6.161 -19.349 1.00 25.25 87 A 1 ATOM 726 N NE2 . GLN A 1 87 ? 5.590 4.535 -17.945 1.00 25.06 87 A 1 ATOM 727 N N . THR A 1 88 ? 11.291 8.593 -17.650 1.00 31.77 88 A 1 ATOM 728 C CA . THR A 1 88 ? 12.227 9.265 -18.549 1.00 31.63 88 A 1 ATOM 729 C C . THR A 1 88 ? 12.408 8.416 -19.800 1.00 32.09 88 A 1 ATOM 730 O O . THR A 1 88 ? 12.861 7.274 -19.729 1.00 30.63 88 A 1 ATOM 731 C CB . THR A 1 88 ? 13.572 9.583 -17.873 1.00 29.39 88 A 1 ATOM 732 O OG1 . THR A 1 88 ? 14.048 8.494 -17.115 1.00 26.73 88 A 1 ATOM 733 C CG2 . THR A 1 88 ? 13.447 10.767 -16.912 1.00 26.61 88 A 1 ATOM 734 N N . PHE A 1 89 ? 12.058 8.969 -20.957 1.00 29.88 89 A 1 ATOM 735 C CA . PHE A 1 89 ? 12.376 8.361 -22.246 1.00 29.59 89 A 1 ATOM 736 C C . PHE A 1 89 ? 13.212 9.360 -23.051 1.00 29.91 89 A 1 ATOM 737 O O . PHE A 1 89 ? 12.805 10.505 -23.227 1.00 28.30 89 A 1 ATOM 738 C CB . PHE A 1 89 ? 11.094 7.917 -22.966 1.00 27.15 89 A 1 ATOM 739 C CG . PHE A 1 89 ? 11.324 6.794 -23.960 1.00 24.81 89 A 1 ATOM 740 C CD1 . PHE A 1 89 ? 11.521 7.078 -25.326 1.00 22.56 89 A 1 ATOM 741 C CD2 . PHE A 1 89 ? 11.361 5.462 -23.511 1.00 22.64 89 A 1 ATOM 742 C CE1 . PHE A 1 89 ? 11.752 6.032 -26.238 1.00 21.88 89 A 1 ATOM 743 C CE2 . PHE A 1 89 ? 11.594 4.415 -24.423 1.00 22.38 89 A 1 ATOM 744 C CZ . PHE A 1 89 ? 11.791 4.697 -25.787 1.00 22.55 89 A 1 ATOM 745 N N . GLU A 1 90 ? 14.417 8.940 -23.443 1.00 35.16 90 A 1 ATOM 746 C CA . GLU A 1 90 ? 15.358 9.758 -24.234 1.00 36.45 90 A 1 ATOM 747 C C . GLU A 1 90 ? 15.701 11.156 -23.654 1.00 37.03 90 A 1 ATOM 748 O O . GLU A 1 90 ? 16.072 12.075 -24.377 1.00 35.76 90 A 1 ATOM 749 C CB . GLU A 1 90 ? 14.934 9.799 -25.714 1.00 35.21 90 A 1 ATOM 750 C CG . GLU A 1 90 ? 14.892 8.386 -26.330 1.00 31.64 90 A 1 ATOM 751 C CD . GLU A 1 90 ? 14.697 8.393 -27.856 1.00 29.94 90 A 1 ATOM 752 O OE1 . GLU A 1 90 ? 15.015 7.341 -28.464 1.00 27.47 90 A 1 ATOM 753 O OE2 . GLU A 1 90 ? 14.262 9.420 -28.412 1.00 30.79 90 A 1 ATOM 754 N N . GLY A 1 91 ? 15.653 11.300 -22.329 1.00 37.17 91 A 1 ATOM 755 C CA . GLY A 1 91 ? 15.993 12.554 -21.643 1.00 38.01 91 A 1 ATOM 756 C C . GLY A 1 91 ? 14.842 13.557 -21.518 1.00 39.11 91 A 1 ATOM 757 O O . GLY A 1 91 ? 15.061 14.632 -20.958 1.00 37.63 91 A 1 ATOM 758 N N . GLU A 1 92 ? 13.644 13.210 -21.968 1.00 36.72 92 A 1 ATOM 759 C CA . GLU A 1 92 ? 12.413 13.963 -21.710 1.00 38.25 92 A 1 ATOM 760 C C . GLU A 1 92 ? 11.630 13.326 -20.555 1.00 38.39 92 A 1 ATOM 761 O O . GLU A 1 92 ? 11.531 12.102 -20.439 1.00 37.50 92 A 1 ATOM 762 C CB . GLU A 1 92 ? 11.574 14.098 -22.988 1.00 37.42 92 A 1 ATOM 763 C CG . GLU A 1 92 ? 12.295 14.955 -24.052 1.00 33.76 92 A 1 ATOM 764 C CD . GLU A 1 92 ? 11.438 15.261 -25.290 1.00 31.84 92 A 1 ATOM 765 O OE1 . GLU A 1 92 ? 11.825 16.197 -26.032 1.00 29.48 92 A 1 ATOM 766 O OE2 . GLU A 1 92 ? 10.417 14.576 -25.509 1.00 31.06 92 A 1 ATOM 767 N N . ILE A 1 93 ? 11.121 14.176 -19.657 1.00 34.89 93 A 1 ATOM 768 C CA . ILE A 1 93 ? 10.251 13.765 -18.552 1.00 34.95 93 A 1 ATOM 769 C C . ILE A 1 93 ? 8.821 13.765 -19.093 1.00 35.06 93 A 1 ATOM 770 O O . ILE A 1 93 ? 8.327 14.807 -19.522 1.00 34.04 93 A 1 ATOM 771 C CB . ILE A 1 93 ? 10.418 14.698 -17.326 1.00 33.63 93 A 1 ATOM 772 C CG1 . ILE A 1 93 ? 11.885 14.695 -16.826 1.00 30.69 93 A 1 ATOM 773 C CG2 . ILE A 1 93 ? 9.462 14.275 -16.195 1.00 31.07 93 A 1 ATOM 774 C CD1 . ILE A 1 93 ? 12.185 15.719 -15.718 1.00 29.58 93 A 1 ATOM 775 N N . PHE A 1 94 ? 8.173 12.612 -19.090 1.00 31.92 94 A 1 ATOM 776 C CA . PHE A 1 94 ? 6.766 12.490 -19.455 1.00 32.31 94 A 1 ATOM 777 C C . PHE A 1 94 ? 5.927 12.371 -18.186 1.00 32.53 94 A 1 ATOM 778 O O . PHE A 1 94 ? 6.032 11.388 -17.452 1.00 31.18 94 A 1 ATOM 779 C CB . PHE A 1 94 ? 6.556 11.302 -20.402 1.00 30.76 94 A 1 ATOM 780 C CG . PHE A 1 94 ? 7.158 11.518 -21.779 1.00 28.69 94 A 1 ATOM 781 C CD1 . PHE A 1 94 ? 6.404 12.143 -22.790 1.00 26.63 94 A 1 ATOM 782 C CD2 . PHE A 1 94 ? 8.485 11.135 -22.036 1.00 27.24 94 A 1 ATOM 783 C CE1 . PHE A 1 94 ? 6.973 12.384 -24.051 1.00 25.61 94 A 1 ATOM 784 C CE2 . PHE A 1 94 ? 9.058 11.383 -23.297 1.00 26.19 94 A 1 ATOM 785 C CZ . PHE A 1 94 ? 8.304 12.009 -24.306 1.00 25.54 94 A 1 ATOM 786 N N . THR A 1 95 ? 5.081 13.370 -17.954 1.00 35.17 95 A 1 ATOM 787 C CA . THR A 1 95 ? 4.027 13.344 -16.937 1.00 36.22 95 A 1 ATOM 788 C C . THR A 1 95 ? 2.797 12.670 -17.540 1.00 36.35 95 A 1 ATOM 789 O O . THR A 1 95 ? 2.338 13.028 -18.627 1.00 35.30 95 A 1 ATOM 790 C CB . THR A 1 95 ? 3.727 14.762 -16.425 1.00 34.56 95 A 1 ATOM 791 O OG1 . THR A 1 95 ? 3.503 15.638 -17.504 1.00 32.32 95 A 1 ATOM 792 C CG2 . THR A 1 95 ? 4.921 15.334 -15.657 1.00 32.12 95 A 1 ATOM 793 N N . GLY A 1 96 ? 2.289 11.636 -16.882 1.00 34.48 96 A 1 ATOM 794 C CA . GLY A 1 96 ? 1.075 10.937 -17.300 1.00 35.02 96 A 1 ATOM 795 C C . GLY A 1 96 ? 0.155 10.723 -16.109 1.00 35.02 96 A 1 ATOM 796 O O . GLY A 1 96 ? 0.621 10.292 -15.058 1.00 33.21 96 A 1 ATOM 797 N N . GLU A 1 97 ? -1.139 10.994 -16.277 1.00 31.09 97 A 1 ATOM 798 C CA . GLU A 1 97 ? -2.161 10.612 -15.293 1.00 31.07 97 A 1 ATOM 799 C C . GLU A 1 97 ? -2.073 9.103 -15.049 1.00 31.48 97 A 1 ATOM 800 O O . GLU A 1 97 ? -2.411 8.293 -15.920 1.00 30.56 97 A 1 ATOM 801 C CB . GLU A 1 97 ? -3.574 10.953 -15.802 1.00 29.30 97 A 1 ATOM 802 C CG . GLU A 1 97 ? -3.946 12.443 -15.758 1.00 26.46 97 A 1 ATOM 803 C CD . GLU A 1 97 ? -5.408 12.696 -16.201 1.00 25.28 97 A 1 ATOM 804 O OE1 . GLU A 1 97 ? -5.968 13.750 -15.836 1.00 23.24 97 A 1 ATOM 805 O OE2 . GLU A 1 97 ? -5.973 11.838 -16.926 1.00 24.81 97 A 1 ATOM 806 N N . SER A 1 98 ? -1.602 8.698 -13.874 1.00 30.16 98 A 1 ATOM 807 C CA . SER A 1 98 ? -1.591 7.290 -13.502 1.00 30.17 98 A 1 ATOM 808 C C . SER A 1 98 ? -2.556 7.023 -12.348 1.00 30.58 98 A 1 ATOM 809 O O . SER A 1 98 ? -2.306 7.236 -11.170 1.00 29.67 98 A 1 ATOM 810 C CB . SER A 1 98 ? -0.178 6.758 -13.297 1.00 28.38 98 A 1 ATOM 811 O OG . SER A 1 98 ? 0.257 6.836 -11.962 1.00 26.46 98 A 1 ATOM 812 N N . ASP A 1 99 ? -3.696 6.456 -12.721 1.00 29.66 99 A 1 ATOM 813 C CA . ASP A 1 99 ? -4.704 5.895 -11.804 1.00 29.56 99 A 1 ATOM 814 C C . ASP A 1 99 ? -4.255 4.560 -11.165 1.00 30.30 99 A 1 ATOM 815 O O . ASP A 1 99 ? -5.074 3.728 -10.749 1.00 29.23 99 A 1 ATOM 816 C CB . ASP A 1 99 ? -6.015 5.695 -12.584 1.00 27.81 99 A 1 ATOM 817 C CG . ASP A 1 99 ? -6.901 6.930 -12.717 1.00 25.63 99 A 1 ATOM 818 O OD1 . ASP A 1 99 ? -6.853 7.794 -11.818 1.00 23.48 99 A 1 ATOM 819 O OD2 . ASP A 1 99 ? -7.726 6.904 -13.663 1.00 23.39 99 A 1 ATOM 820 N N . LYS A 1 100 ? -2.954 4.261 -11.153 1.00 27.73 100 A 1 ATOM 821 C CA . LYS A 1 100 ? -2.459 2.912 -10.840 1.00 27.53 100 A 1 ATOM 822 C C . LYS A 1 100 ? -1.311 2.920 -9.843 1.00 28.16 100 A 1 ATOM 823 O O . LYS A 1 100 ? -0.150 3.060 -10.205 1.00 27.43 100 A 1 ATOM 824 C CB . LYS A 1 100 ? -2.069 2.178 -12.129 1.00 26.22 100 A 1 ATOM 825 C CG . LYS A 1 100 ? -3.281 1.904 -13.021 1.00 24.18 100 A 1 ATOM 826 C CD . LYS A 1 100 ? -2.834 1.250 -14.328 1.00 22.82 100 A 1 ATOM 827 C CE . LYS A 1 100 ? -4.021 1.163 -15.277 1.00 21.01 100 A 1 ATOM 828 N NZ . LYS A 1 100 ? -3.561 0.970 -16.671 1.00 19.57 100 A 1 ATOM 829 N N . ILE A 1 101 ? -1.642 2.598 -8.595 1.00 31.48 101 A 1 ATOM 830 C CA . ILE A 1 101 ? -0.663 2.187 -7.584 1.00 31.30 101 A 1 ATOM 831 C C . ILE A 1 101 ? -0.239 0.744 -7.893 1.00 31.35 101 A 1 ATOM 832 O O . ILE A 1 101 ? -1.018 -0.199 -7.734 1.00 30.68 101 A 1 ATOM 833 C CB . ILE A 1 101 ? -1.238 2.355 -6.157 1.00 30.26 101 A 1 ATOM 834 C CG1 . ILE A 1 101 ? -1.681 3.820 -5.906 1.00 28.37 101 A 1 ATOM 835 C CG2 . ILE A 1 101 ? -0.194 1.916 -5.113 1.00 28.37 101 A 1 ATOM 836 C CD1 . ILE A 1 101 ? -2.415 4.038 -4.579 1.00 27.22 101 A 1 ATOM 837 N N . LEU A 1 102 ? 0.997 0.567 -8.358 1.00 29.50 102 A 1 ATOM 838 C CA . LEU A 1 102 ? 1.629 -0.745 -8.503 1.00 29.48 102 A 1 ATOM 839 C C . LEU A 1 102 ? 2.343 -1.094 -7.196 1.00 29.97 102 A 1 ATOM 840 O O . LEU A 1 102 ? 3.502 -0.757 -6.992 1.00 29.46 102 A 1 ATOM 841 C CB . LEU A 1 102 ? 2.569 -0.737 -9.725 1.00 28.26 102 A 1 ATOM 842 C CG . LEU A 1 102 ? 1.864 -1.117 -11.037 1.00 26.21 102 A 1 ATOM 843 C CD1 . LEU A 1 102 ? 2.612 -0.554 -12.241 1.00 24.23 102 A 1 ATOM 844 C CD2 . LEU A 1 102 ? 1.798 -2.639 -11.204 1.00 24.69 102 A 1 ATOM 845 N N . CYS A 1 103 ? 1.661 -1.811 -6.307 1.00 33.91 103 A 1 ATOM 846 C CA . CYS A 1 103 ? 2.319 -2.427 -5.159 1.00 34.11 103 A 1 ATOM 847 C C . CYS A 1 103 ? 3.205 -3.579 -5.656 1.00 33.98 103 A 1 ATOM 848 O O . CYS A 1 103 ? 2.711 -4.646 -6.034 1.00 33.14 103 A 1 ATOM 849 C CB . CYS A 1 103 ? 1.279 -2.887 -4.132 1.00 33.02 103 A 1 ATOM 850 S SG . CYS A 1 103 ? 0.436 -1.457 -3.399 1.00 30.91 103 A 1 ATOM 851 N N . GLY A 1 104 ? 4.513 -3.370 -5.655 1.00 34.69 104 A 1 ATOM 852 C CA . GLY A 1 104 ? 5.502 -4.425 -5.863 1.00 34.67 104 A 1 ATOM 853 C C . GLY A 1 104 ? 5.505 -5.382 -4.676 1.00 34.61 104 A 1 ATOM 854 O O . GLY A 1 104 ? 6.259 -5.204 -3.735 1.00 33.32 104 A 1 ATOM 855 N N . VAL A 1 105 ? 4.644 -6.378 -4.706 1.00 32.13 105 A 1 ATOM 856 C CA . VAL A 1 105 ? 4.628 -7.437 -3.694 1.00 32.06 105 A 1 ATOM 857 C C . VAL A 1 105 ? 5.836 -8.341 -3.917 1.00 32.36 105 A 1 ATOM 858 O O . VAL A 1 105 ? 5.872 -9.096 -4.890 1.00 31.39 105 A 1 ATOM 859 C CB . VAL A 1 105 ? 3.308 -8.221 -3.751 1.00 30.62 105 A 1 ATOM 860 C CG1 . VAL A 1 105 ? 3.306 -9.384 -2.766 1.00 28.23 105 A 1 ATOM 861 C CG2 . VAL A 1 105 ? 2.115 -7.307 -3.431 1.00 28.01 105 A 1 ATOM 862 N N . LEU A 1 106 ? 6.809 -8.272 -3.002 1.00 30.72 106 A 1 ATOM 863 C CA . LEU A 1 106 ? 7.859 -9.281 -2.909 1.00 31.25 106 A 1 ATOM 864 C C . LEU A 1 106 ? 7.210 -10.627 -2.569 1.00 31.10 106 A 1 ATOM 865 O O . LEU A 1 106 ? 6.398 -10.728 -1.649 1.00 30.35 106 A 1 ATOM 866 C CB . LEU A 1 106 ? 8.901 -8.868 -1.855 1.00 30.62 106 A 1 ATOM 867 C CG . LEU A 1 106 ? 9.752 -7.642 -2.233 1.00 28.97 106 A 1 ATOM 868 C CD1 . LEU A 1 106 ? 10.589 -7.203 -1.029 1.00 27.07 106 A 1 ATOM 869 C CD2 . LEU A 1 106 ? 10.707 -7.933 -3.391 1.00 27.50 106 A 1 ATOM 870 N N . SER A 1 107 ? 7.544 -11.660 -3.330 1.00 31.19 107 A 1 ATOM 871 C CA . SER A 1 107 ? 7.074 -13.007 -3.014 1.00 31.55 107 A 1 ATOM 872 C C . SER A 1 107 ? 7.709 -13.494 -1.707 1.00 31.79 107 A 1 ATOM 873 O O . SER A 1 107 ? 8.779 -13.033 -1.308 1.00 30.89 107 A 1 ATOM 874 C CB . SER A 1 107 ? 7.345 -13.958 -4.184 1.00 30.43 107 A 1 ATOM 875 O OG . SER A 1 107 ? 8.700 -14.342 -4.241 1.00 28.10 107 A 1 ATOM 876 N N . LEU A 1 108 ? 7.096 -14.464 -1.032 1.00 32.53 108 A 1 ATOM 877 C CA . LEU A 1 108 ? 7.678 -15.067 0.183 1.00 32.00 108 A 1 ATOM 878 C C . LEU A 1 108 ? 9.109 -15.596 -0.045 1.00 32.56 108 A 1 ATOM 879 O O . LEU A 1 108 ? 9.899 -15.636 0.895 1.00 31.75 108 A 1 ATOM 880 C CB . LEU A 1 108 ? 6.769 -16.211 0.690 1.00 29.87 108 A 1 ATOM 881 C CG . LEU A 1 108 ? 6.286 -16.013 2.141 1.00 27.63 108 A 1 ATOM 882 C CD1 . LEU A 1 108 ? 4.846 -15.496 2.161 1.00 25.07 108 A 1 ATOM 883 C CD2 . LEU A 1 108 ? 6.329 -17.332 2.915 1.00 25.98 108 A 1 ATOM 884 N N . GLY A 1 109 ? 9.441 -15.983 -1.280 1.00 33.80 109 A 1 ATOM 885 C CA . GLY A 1 109 ? 10.791 -16.379 -1.683 1.00 33.99 109 A 1 ATOM 886 C C . GLY A 1 109 ? 11.786 -15.214 -1.685 1.00 34.69 109 A 1 ATOM 887 O O . GLY A 1 109 ? 12.906 -15.383 -1.212 1.00 33.59 109 A 1 ATOM 888 N N . ASP A 1 110 ? 11.364 -14.023 -2.120 1.00 31.73 110 A 1 ATOM 889 C CA . ASP A 1 110 ? 12.225 -12.834 -2.197 1.00 32.63 110 A 1 ATOM 890 C C . ASP A 1 110 ? 12.560 -12.264 -0.807 1.00 32.40 110 A 1 ATOM 891 O O . ASP A 1 110 ? 13.629 -11.691 -0.600 1.00 32.25 110 A 1 ATOM 892 C CB . ASP A 1 110 ? 11.554 -11.767 -3.079 1.00 32.75 110 A 1 ATOM 893 C CG . ASP A 1 110 ? 11.193 -12.281 -4.476 1.00 30.95 110 A 1 ATOM 894 O OD1 . ASP A 1 110 ? 12.048 -12.921 -5.118 1.00 29.04 110 A 1 ATOM 895 O OD2 . ASP A 1 110 ? 10.013 -12.111 -4.860 1.00 28.88 110 A 1 ATOM 896 N N . LEU A 1 111 ? 11.702 -12.497 0.183 1.00 29.76 111 A 1 ATOM 897 C CA . LEU A 1 111 ? 11.956 -12.123 1.583 1.00 29.46 111 A 1 ATOM 898 C C . LEU A 1 111 ? 13.057 -12.966 2.250 1.00 29.47 111 A 1 ATOM 899 O O . LEU A 1 111 ? 13.640 -12.546 3.246 1.00 28.60 111 A 1 ATOM 900 C CB . LEU A 1 111 ? 10.639 -12.219 2.377 1.00 28.58 111 A 1 ATOM 901 C CG . LEU A 1 111 ? 9.580 -11.172 1.986 1.00 26.75 111 A 1 ATOM 902 C CD1 . LEU A 1 111 ? 8.244 -11.506 2.657 1.00 24.73 111 A 1 ATOM 903 C CD2 . LEU A 1 111 ? 9.987 -9.764 2.424 1.00 25.37 111 A 1 ATOM 904 N N . THR A 1 112 ? 13.371 -14.153 1.722 1.00 30.16 112 A 1 ATOM 905 C CA . THR A 1 112 ? 14.421 -15.029 2.284 1.00 31.00 112 A 1 ATOM 906 C C . THR A 1 112 ? 15.841 -14.661 1.851 1.00 31.28 112 A 1 ATOM 907 O O . THR A 1 112 ? 16.804 -15.191 2.412 1.00 30.00 112 A 1 ATOM 908 C CB . THR A 1 112 ? 14.155 -16.518 2.013 1.00 29.48 112 A 1 ATOM 909 O OG1 . THR A 1 112 ? 14.083 -16.843 0.654 1.00 26.84 112 A 1 ATOM 910 C CG2 . THR A 1 112 ? 12.863 -16.992 2.681 1.00 26.78 112 A 1 ATOM 911 N N . THR A 1 113 ? 15.989 -13.748 0.883 1.00 29.66 113 A 1 ATOM 912 C CA . THR A 1 113 ? 17.291 -13.317 0.348 1.00 30.78 113 A 1 ATOM 913 C C . THR A 1 113 ? 17.824 -12.015 0.948 1.00 31.19 113 A 1 ATOM 914 O O . THR A 1 113 ? 18.976 -11.664 0.689 1.00 29.80 113 A 1 ATOM 915 C CB . THR A 1 113 ? 17.267 -13.243 -1.185 1.00 29.17 113 A 1 ATOM 916 O OG1 . THR A 1 113 ? 16.104 -12.621 -1.665 1.00 26.61 113 A 1 ATOM 917 C CG2 . THR A 1 113 ? 17.290 -14.646 -1.792 1.00 26.35 113 A 1 ATOM 918 N N . LEU A 1 114 ? 17.044 -11.325 1.772 1.00 27.86 114 A 1 ATOM 919 C CA . LEU A 1 114 ? 17.508 -10.178 2.553 1.00 28.03 114 A 1 ATOM 920 C C . LEU A 1 114 ? 18.230 -10.682 3.815 1.00 27.89 114 A 1 ATOM 921 O O . LEU A 1 114 ? 17.617 -10.910 4.857 1.00 26.91 114 A 1 ATOM 922 C CB . LEU A 1 114 ? 16.322 -9.236 2.849 1.00 27.10 114 A 1 ATOM 923 C CG . LEU A 1 114 ? 15.771 -8.514 1.604 1.00 25.57 114 A 1 ATOM 924 C CD1 . LEU A 1 114 ? 14.408 -7.898 1.912 1.00 23.58 114 A 1 ATOM 925 C CD2 . LEU A 1 114 ? 16.705 -7.397 1.132 1.00 24.65 114 A 1 ATOM 926 N N . LYS A 1 115 ? 19.541 -10.922 3.687 1.00 25.63 115 A 1 ATOM 927 C CA . LYS A 1 115 ? 20.482 -11.070 4.805 1.00 27.03 115 A 1 ATOM 928 C C . LYS A 1 115 ? 21.295 -9.805 4.989 1.00 26.11 115 A 1 ATOM 929 O O . LYS A 1 115 ? 21.699 -9.234 3.953 1.00 24.37 115 A 1 ATOM 930 C CB . LYS A 1 115 ? 21.439 -12.246 4.598 1.00 25.46 115 A 1 ATOM 931 C CG . LYS A 1 115 ? 20.857 -13.567 5.090 1.00 22.90 115 A 1 ATOM 932 C CD . LYS A 1 115 ? 21.959 -14.630 5.048 1.00 21.74 115 A 1 ATOM 933 C CE . LYS A 1 115 ? 21.437 -15.950 5.602 1.00 18.83 115 A 1 ATOM 934 N NZ . LYS A 1 115 ? 22.502 -16.975 5.578 1.00 17.66 115 A 1 ATOM 935 O OXT . LYS A 1 115 ? 21.535 -9.497 6.178 1.00 22.46 115 A 1 #