# 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_acriia19 # _entry.id acriia19 # 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" "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 LYS 2 1 n LEU 3 1 n ILE 4 1 n VAL 5 1 n GLU 6 1 n VAL 7 1 n GLU 8 1 n GLU 9 1 n THR 10 1 n ASN 11 1 n TYR 12 1 n LYS 13 1 n ASN 14 1 n LEU 15 1 n VAL 16 1 n ASN 17 1 n TYR 18 1 n THR 19 1 n LYS 20 1 n LEU 21 1 n THR 22 1 n ASN 23 1 n GLU 24 1 n SER 25 1 n HIS 26 1 n ASN 27 1 n ILE 28 1 n LEU 29 1 n VAL 30 1 n ASN 31 1 n ARG 32 1 n LEU 33 1 n ILE 34 1 n SER 35 1 n GLU 36 1 n TYR 37 1 n ILE 38 1 n THR 39 1 n LYS 40 1 n PRO 41 1 n TYR 42 1 n GLU 43 1 n LEU 44 1 n ARG 45 1 n LEU 46 1 n ASP 47 1 n LEU 48 1 n SER 49 1 n GLU 50 1 n ARG 51 1 n TYR 52 1 n SER 53 1 n ASN 54 1 n ARG 55 1 n ASP 56 1 n LEU 57 1 n ILE 58 1 n GLU 59 1 n PHE 60 1 n LYS 61 1 n PHE 62 1 n MET 63 1 n LEU 64 1 n ILE 65 1 n GLU 66 1 n TYR 67 1 n CYS 68 1 n LYS 69 1 n GLU 70 1 n ALA 71 1 n LEU 72 1 n GLN 73 1 n ASP 74 1 n ILE 75 1 n LYS 76 1 n GLU 77 1 n LEU 78 1 n ALA 79 1 n ASN 80 1 n SER 81 1 n ASP 82 1 n GLU 83 1 n ALA 84 1 n TYR 85 1 n GLU 86 1 n THR 87 1 n ASP 88 1 n GLU 89 1 n ALA 90 1 n PHE 91 1 n GLU 92 1 n ALA 93 1 n VAL 94 1 n PHE 95 1 n ARG 96 1 n GLN 97 1 n LEU 98 1 n PHE 99 1 n GLU 100 1 n GLU 101 1 n VAL 102 1 n ILE 103 1 n SER 104 1 n ASN 105 1 n PRO 106 1 n ASP 107 1 n THR 108 1 n VAL 109 1 n LEU 110 1 n LYS 111 1 n ALA 112 1 n PHE 113 1 n HIS 114 1 n SER 115 1 n TYR 116 1 n THR 117 1 n SER 118 1 n PHE 119 1 n LEU 120 1 n GLU 121 1 n GLU 122 1 n ASN 123 1 n LYS 124 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-06 19:47:51)" _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 89.34 _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 82.02 1 1 A LYS 2 2 81.66 1 2 A LEU 3 2 85.79 1 3 A ILE 4 2 88.12 1 4 A VAL 5 2 86.79 1 5 A GLU 6 2 84.95 1 6 A VAL 7 2 89.70 1 7 A GLU 8 2 87.02 1 8 A GLU 9 2 89.02 1 9 A THR 10 2 93.69 1 10 A ASN 11 2 91.85 1 11 A TYR 12 2 90.33 1 12 A LYS 13 2 88.23 1 13 A ASN 14 2 93.22 1 14 A LEU 15 2 90.14 1 15 A VAL 16 2 93.31 1 16 A ASN 17 2 93.57 1 17 A TYR 18 2 92.54 1 18 A THR 19 2 91.78 1 19 A LYS 20 2 88.81 1 20 A LEU 21 2 90.59 1 21 A THR 22 2 92.22 1 22 A ASN 23 2 88.73 1 23 A GLU 24 2 86.18 1 24 A SER 25 2 91.17 1 25 A HIS 26 2 84.26 1 26 A ASN 27 2 86.00 1 27 A ILE 28 2 91.57 1 28 A LEU 29 2 92.44 1 29 A VAL 30 2 92.29 1 30 A ASN 31 2 91.15 1 31 A ARG 32 2 87.42 1 32 A LEU 33 2 91.73 1 33 A ILE 34 2 93.29 1 34 A SER 35 2 93.60 1 35 A GLU 36 2 86.73 1 36 A TYR 37 2 88.77 1 37 A ILE 38 2 92.20 1 38 A THR 39 2 94.65 1 39 A LYS 40 2 90.64 1 40 A PRO 41 2 93.03 1 41 A TYR 42 2 93.39 1 42 A GLU 43 2 93.41 1 43 A LEU 44 2 94.05 1 44 A ARG 45 2 82.60 1 45 A LEU 46 2 92.65 1 46 A ASP 47 2 91.28 1 47 A LEU 48 2 93.79 1 48 A SER 49 2 92.40 1 49 A GLU 50 2 89.77 1 50 A ARG 51 2 87.74 1 51 A TYR 52 2 94.38 1 52 A SER 53 2 94.80 1 53 A ASN 54 2 87.93 1 54 A ARG 55 2 81.62 1 55 A ASP 56 2 95.13 1 56 A LEU 57 2 93.76 1 57 A ILE 58 2 93.66 1 58 A GLU 59 2 90.81 1 59 A PHE 60 2 96.66 1 60 A LYS 61 2 91.40 1 61 A PHE 62 2 86.14 1 62 A MET 63 2 91.12 1 63 A LEU 64 2 94.76 1 64 A ILE 65 2 94.14 1 65 A GLU 66 2 88.06 1 66 A TYR 67 2 91.63 1 67 A CYS 68 2 92.88 1 68 A LYS 69 2 87.80 1 69 A GLU 70 2 87.83 1 70 A ALA 71 2 92.94 1 71 A LEU 72 2 88.88 1 72 A GLN 73 2 85.57 1 73 A ASP 74 2 90.09 1 74 A ILE 75 2 87.48 1 75 A LYS 76 2 83.33 1 76 A GLU 77 2 87.28 1 77 A LEU 78 2 83.43 1 78 A ALA 79 2 85.66 1 79 A ASN 80 2 84.87 1 80 A SER 81 2 86.92 1 81 A ASP 82 2 83.90 1 82 A GLU 83 2 78.89 1 83 A ALA 84 2 83.30 1 84 A TYR 85 2 77.64 1 85 A GLU 86 2 79.45 1 86 A THR 87 2 88.92 1 87 A ASP 88 2 85.73 1 88 A GLU 89 2 82.44 1 89 A ALA 90 2 92.80 1 90 A PHE 91 2 87.22 1 91 A GLU 92 2 84.76 1 92 A ALA 93 2 92.63 1 93 A VAL 94 2 93.57 1 94 A PHE 95 2 86.42 1 95 A ARG 96 2 82.18 1 96 A GLN 97 2 87.67 1 97 A LEU 98 2 91.81 1 98 A PHE 99 2 83.24 1 99 A GLU 100 2 86.40 1 100 A GLU 101 2 84.92 1 101 A VAL 102 2 90.49 1 102 A ILE 103 2 89.02 1 103 A SER 104 2 92.09 1 104 A ASN 105 2 90.53 1 105 A PRO 106 2 92.49 1 106 A ASP 107 2 90.17 1 107 A THR 108 2 93.59 1 108 A VAL 109 2 94.75 1 109 A LEU 110 2 91.49 1 110 A LYS 111 2 90.55 1 111 A ALA 112 2 96.15 1 112 A PHE 113 2 96.05 1 113 A HIS 114 2 91.70 1 114 A SER 115 2 95.49 1 115 A TYR 116 2 95.71 1 116 A THR 117 2 95.08 1 117 A SER 118 2 94.12 1 118 A PHE 119 2 92.67 1 119 A LEU 120 2 92.91 1 120 A GLU 121 2 89.87 1 121 A GLU 122 2 88.27 1 122 A ASN 123 2 86.51 1 123 A LYS 124 2 81.93 1 124 # _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 LEU . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n GLU . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n GLU . 8 A 8 A 9 1 n GLU . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n ASN . 11 A 11 A 12 1 n TYR . 12 A 12 A 13 1 n LYS . 13 A 13 A 14 1 n ASN . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n ASN . 17 A 17 A 18 1 n TYR . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n LYS . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n THR . 22 A 22 A 23 1 n ASN . 23 A 23 A 24 1 n GLU . 24 A 24 A 25 1 n SER . 25 A 25 A 26 1 n HIS . 26 A 26 A 27 1 n ASN . 27 A 27 A 28 1 n ILE . 28 A 28 A 29 1 n LEU . 29 A 29 A 30 1 n VAL . 30 A 30 A 31 1 n ASN . 31 A 31 A 32 1 n ARG . 32 A 32 A 33 1 n LEU . 33 A 33 A 34 1 n ILE . 34 A 34 A 35 1 n SER . 35 A 35 A 36 1 n GLU . 36 A 36 A 37 1 n TYR . 37 A 37 A 38 1 n ILE . 38 A 38 A 39 1 n THR . 39 A 39 A 40 1 n LYS . 40 A 40 A 41 1 n PRO . 41 A 41 A 42 1 n TYR . 42 A 42 A 43 1 n GLU . 43 A 43 A 44 1 n LEU . 44 A 44 A 45 1 n ARG . 45 A 45 A 46 1 n LEU . 46 A 46 A 47 1 n ASP . 47 A 47 A 48 1 n LEU . 48 A 48 A 49 1 n SER . 49 A 49 A 50 1 n GLU . 50 A 50 A 51 1 n ARG . 51 A 51 A 52 1 n TYR . 52 A 52 A 53 1 n SER . 53 A 53 A 54 1 n ASN . 54 A 54 A 55 1 n ARG . 55 A 55 A 56 1 n ASP . 56 A 56 A 57 1 n LEU . 57 A 57 A 58 1 n ILE . 58 A 58 A 59 1 n GLU . 59 A 59 A 60 1 n PHE . 60 A 60 A 61 1 n LYS . 61 A 61 A 62 1 n PHE . 62 A 62 A 63 1 n MET . 63 A 63 A 64 1 n LEU . 64 A 64 A 65 1 n ILE . 65 A 65 A 66 1 n GLU . 66 A 66 A 67 1 n TYR . 67 A 67 A 68 1 n CYS . 68 A 68 A 69 1 n LYS . 69 A 69 A 70 1 n GLU . 70 A 70 A 71 1 n ALA . 71 A 71 A 72 1 n LEU . 72 A 72 A 73 1 n GLN . 73 A 73 A 74 1 n ASP . 74 A 74 A 75 1 n ILE . 75 A 75 A 76 1 n LYS . 76 A 76 A 77 1 n GLU . 77 A 77 A 78 1 n LEU . 78 A 78 A 79 1 n ALA . 79 A 79 A 80 1 n ASN . 80 A 80 A 81 1 n SER . 81 A 81 A 82 1 n ASP . 82 A 82 A 83 1 n GLU . 83 A 83 A 84 1 n ALA . 84 A 84 A 85 1 n TYR . 85 A 85 A 86 1 n GLU . 86 A 86 A 87 1 n THR . 87 A 87 A 88 1 n ASP . 88 A 88 A 89 1 n GLU . 89 A 89 A 90 1 n ALA . 90 A 90 A 91 1 n PHE . 91 A 91 A 92 1 n GLU . 92 A 92 A 93 1 n ALA . 93 A 93 A 94 1 n VAL . 94 A 94 A 95 1 n PHE . 95 A 95 A 96 1 n ARG . 96 A 96 A 97 1 n GLN . 97 A 97 A 98 1 n LEU . 98 A 98 A 99 1 n PHE . 99 A 99 A 100 1 n GLU . 100 A 100 A 101 1 n GLU . 101 A 101 A 102 1 n VAL . 102 A 102 A 103 1 n ILE . 103 A 103 A 104 1 n SER . 104 A 104 A 105 1 n ASN . 105 A 105 A 106 1 n PRO . 106 A 106 A 107 1 n ASP . 107 A 107 A 108 1 n THR . 108 A 108 A 109 1 n VAL . 109 A 109 A 110 1 n LEU . 110 A 110 A 111 1 n LYS . 111 A 111 A 112 1 n ALA . 112 A 112 A 113 1 n PHE . 113 A 113 A 114 1 n HIS . 114 A 114 A 115 1 n SER . 115 A 115 A 116 1 n TYR . 116 A 116 A 117 1 n THR . 117 A 117 A 118 1 n SER . 118 A 118 A 119 1 n PHE . 119 A 119 A 120 1 n LEU . 120 A 120 A 121 1 n GLU . 121 A 121 A 122 1 n GLU . 122 A 122 A 123 1 n ASN . 123 A 123 A 124 1 n LYS . 124 A 124 # _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 ? 5.444 18.492 -23.818 1.00 85.96 1 A 1 ATOM 2 C CA . MET A 1 1 ? 5.769 19.336 -22.648 1.00 90.96 1 A 1 ATOM 3 C C . MET A 1 1 ? 7.112 18.888 -22.096 1.00 91.49 1 A 1 ATOM 4 O O . MET A 1 1 ? 7.448 17.722 -22.262 1.00 88.64 1 A 1 ATOM 5 C CB . MET A 1 1 ? 4.648 19.228 -21.605 1.00 85.78 1 A 1 ATOM 6 C CG . MET A 1 1 ? 4.790 20.244 -20.461 1.00 75.70 1 A 1 ATOM 7 S SD . MET A 1 1 ? 3.259 20.405 -19.504 1.00 73.60 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.226 18.833 -18.597 1.00 64.04 1 A 1 ATOM 9 N N . LYS A 1 2 ? 7.929 19.795 -21.521 1.00 87.48 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 9.209 19.446 -20.876 1.00 89.36 2 A 1 ATOM 11 C C . LYS A 1 2 ? 9.116 19.777 -19.390 1.00 88.90 2 A 1 ATOM 12 O O . LYS A 1 2 ? 8.690 20.875 -19.055 1.00 86.38 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 10.392 20.188 -21.523 1.00 87.24 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 10.690 19.726 -22.962 1.00 81.13 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 11.932 20.443 -23.518 1.00 78.99 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 12.242 19.976 -24.946 1.00 71.50 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 13.444 20.651 -25.497 1.00 63.97 2 A 1 ATOM 18 N N . LEU A 1 3 ? 9.518 18.842 -18.559 1.00 86.88 3 A 1 ATOM 19 C CA . LEU A 1 3 ? 9.721 19.033 -17.124 1.00 87.97 3 A 1 ATOM 20 C C . LEU A 1 3 ? 11.226 19.031 -16.861 1.00 89.64 3 A 1 ATOM 21 O O . LEU A 1 3 ? 11.922 18.132 -17.332 1.00 88.83 3 A 1 ATOM 22 C CB . LEU A 1 3 ? 8.989 17.913 -16.358 1.00 86.39 3 A 1 ATOM 23 C CG . LEU A 1 3 ? 9.182 17.958 -14.825 1.00 84.96 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? 8.565 19.216 -14.214 1.00 81.16 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? 8.532 16.733 -14.189 1.00 80.46 3 A 1 ATOM 26 N N . ILE A 1 4 ? 11.716 20.041 -16.156 1.00 89.03 4 A 1 ATOM 27 C CA . ILE A 1 4 ? 13.109 20.124 -15.710 1.00 90.57 4 A 1 ATOM 28 C C . ILE A 1 4 ? 13.080 20.017 -14.192 1.00 89.89 4 A 1 ATOM 29 O O . ILE A 1 4 ? 12.378 20.786 -13.539 1.00 87.74 4 A 1 ATOM 30 C CB . ILE A 1 4 ? 13.792 21.425 -16.191 1.00 90.34 4 A 1 ATOM 31 C CG1 . ILE A 1 4 ? 13.746 21.531 -17.734 1.00 88.47 4 A 1 ATOM 32 C CG2 . ILE A 1 4 ? 15.245 21.471 -15.679 1.00 87.63 4 A 1 ATOM 33 C CD1 . ILE A 1 4 ? 14.298 22.851 -18.294 1.00 81.27 4 A 1 ATOM 34 N N . VAL A 1 5 ? 13.822 19.051 -13.649 1.00 89.03 5 A 1 ATOM 35 C CA . VAL A 1 5 ? 13.892 18.783 -12.210 1.00 89.39 5 A 1 ATOM 36 C C . VAL A 1 5 ? 15.342 18.571 -11.808 1.00 91.20 5 A 1 ATOM 37 O O . VAL A 1 5 ? 16.104 17.934 -12.534 1.00 90.96 5 A 1 ATOM 38 C CB . VAL A 1 5 ? 12.990 17.595 -11.826 1.00 87.08 5 A 1 ATOM 39 C CG1 . VAL A 1 5 ? 13.405 16.271 -12.478 1.00 79.75 5 A 1 ATOM 40 C CG2 . VAL A 1 5 ? 12.911 17.408 -10.308 1.00 80.14 5 A 1 ATOM 41 N N . GLU A 1 6 ? 15.713 19.132 -10.678 1.00 91.40 6 A 1 ATOM 42 C CA . GLU A 1 6 ? 17.008 18.861 -10.062 1.00 92.55 6 A 1 ATOM 43 C C . GLU A 1 6 ? 16.951 17.512 -9.342 1.00 92.50 6 A 1 ATOM 44 O O . GLU A 1 6 ? 15.989 17.211 -8.636 1.00 92.04 6 A 1 ATOM 45 C CB . GLU A 1 6 ? 17.404 19.995 -9.108 1.00 92.25 6 A 1 ATOM 46 C CG . GLU A 1 6 ? 17.689 21.294 -9.882 1.00 80.67 6 A 1 ATOM 47 C CD . GLU A 1 6 ? 18.130 22.465 -8.991 1.00 77.56 6 A 1 ATOM 48 O OE1 . GLU A 1 6 ? 18.450 23.525 -9.585 1.00 71.24 6 A 1 ATOM 49 O OE2 . GLU A 1 6 ? 18.139 22.314 -7.753 1.00 74.33 6 A 1 ATOM 50 N N . VAL A 1 7 ? 17.979 16.690 -9.553 1.00 91.83 7 A 1 ATOM 51 C CA . VAL A 1 7 ? 18.114 15.380 -8.908 1.00 92.38 7 A 1 ATOM 52 C C . VAL A 1 7 ? 19.465 15.284 -8.225 1.00 93.90 7 A 1 ATOM 53 O O . VAL A 1 7 ? 20.473 15.761 -8.744 1.00 93.86 7 A 1 ATOM 54 C CB . VAL A 1 7 ? 17.904 14.207 -9.882 1.00 90.32 7 A 1 ATOM 55 C CG1 . VAL A 1 7 ? 16.463 14.180 -10.406 1.00 82.47 7 A 1 ATOM 56 C CG2 . VAL A 1 7 ? 18.857 14.218 -11.079 1.00 83.12 7 A 1 ATOM 57 N N . GLU A 1 8 ? 19.498 14.646 -7.072 1.00 93.29 8 A 1 ATOM 58 C CA . GLU A 1 8 ? 20.748 14.376 -6.369 1.00 93.94 8 A 1 ATOM 59 C C . GLU A 1 8 ? 21.692 13.533 -7.231 1.00 94.26 8 A 1 ATOM 60 O O . GLU A 1 8 ? 21.267 12.640 -7.969 1.00 94.44 8 A 1 ATOM 61 C CB . GLU A 1 8 ? 20.478 13.633 -5.057 1.00 94.05 8 A 1 ATOM 62 C CG . GLU A 1 8 ? 19.672 14.465 -4.049 1.00 85.79 8 A 1 ATOM 63 C CD . GLU A 1 8 ? 19.402 13.686 -2.751 1.00 80.87 8 A 1 ATOM 64 O OE1 . GLU A 1 8 ? 18.924 14.333 -1.797 1.00 72.40 8 A 1 ATOM 65 O OE2 . GLU A 1 8 ? 19.643 12.456 -2.739 1.00 74.13 8 A 1 ATOM 66 N N . GLU A 1 9 ? 22.985 13.773 -7.097 1.00 95.14 9 A 1 ATOM 67 C CA . GLU A 1 9 ? 24.009 13.104 -7.910 1.00 95.36 9 A 1 ATOM 68 C C . GLU A 1 9 ? 23.940 11.570 -7.806 1.00 95.11 9 A 1 ATOM 69 O O . GLU A 1 9 ? 24.051 10.863 -8.813 1.00 94.84 9 A 1 ATOM 70 C CB . GLU A 1 9 ? 25.396 13.614 -7.469 1.00 95.21 9 A 1 ATOM 71 C CG . GLU A 1 9 ? 26.497 13.152 -8.427 1.00 87.23 9 A 1 ATOM 72 C CD . GLU A 1 9 ? 27.919 13.519 -7.967 1.00 83.51 9 A 1 ATOM 73 O OE1 . GLU A 1 9 ? 28.861 12.880 -8.513 1.00 76.78 9 A 1 ATOM 74 O OE2 . GLU A 1 9 ? 28.078 14.346 -7.058 1.00 78.04 9 A 1 ATOM 75 N N . THR A 1 10 ? 23.702 11.045 -6.607 1.00 95.99 10 A 1 ATOM 76 C CA . THR A 1 10 ? 23.546 9.603 -6.370 1.00 95.72 10 A 1 ATOM 77 C C . THR A 1 10 ? 22.337 9.042 -7.118 1.00 95.65 10 A 1 ATOM 78 O O . THR A 1 10 ? 22.449 8.015 -7.787 1.00 95.09 10 A 1 ATOM 79 C CB . THR A 1 10 ? 23.413 9.323 -4.865 1.00 95.77 10 A 1 ATOM 80 O OG1 . THR A 1 10 ? 24.540 9.857 -4.210 1.00 90.04 10 A 1 ATOM 81 C CG2 . THR A 1 10 ? 23.369 7.832 -4.539 1.00 87.60 10 A 1 ATOM 82 N N . ASN A 1 11 ? 21.199 9.750 -7.091 1.00 94.89 11 A 1 ATOM 83 C CA . ASN A 1 11 ? 19.982 9.340 -7.790 1.00 93.98 11 A 1 ATOM 84 C C . ASN A 1 11 ? 20.176 9.374 -9.307 1.00 93.99 11 A 1 ATOM 85 O O . ASN A 1 11 ? 19.758 8.453 -10.005 1.00 93.73 11 A 1 ATOM 86 C CB . ASN A 1 11 ? 18.817 10.232 -7.331 1.00 93.57 11 A 1 ATOM 87 C CG . ASN A 1 11 ? 18.442 9.975 -5.881 1.00 91.74 11 A 1 ATOM 88 O OD1 . ASN A 1 11 ? 18.669 8.896 -5.358 1.00 86.80 11 A 1 ATOM 89 N ND2 . ASN A 1 11 ? 17.869 10.939 -5.207 1.00 86.11 11 A 1 ATOM 90 N N . TYR A 1 12 ? 20.874 10.387 -9.821 1.00 93.83 12 A 1 ATOM 91 C CA . TYR A 1 12 ? 21.227 10.447 -11.234 1.00 93.87 12 A 1 ATOM 92 C C . TYR A 1 12 ? 22.126 9.280 -11.659 1.00 94.32 12 A 1 ATOM 93 O O . TYR A 1 12 ? 21.854 8.623 -12.665 1.00 94.65 12 A 1 ATOM 94 C CB . TYR A 1 12 ? 21.885 11.797 -11.535 1.00 93.38 12 A 1 ATOM 95 C CG . TYR A 1 12 ? 22.274 11.925 -12.993 1.00 92.35 12 A 1 ATOM 96 C CD1 . TYR A 1 12 ? 23.625 11.814 -13.381 1.00 88.20 12 A 1 ATOM 97 C CD2 . TYR A 1 12 ? 21.275 12.108 -13.966 1.00 88.79 12 A 1 ATOM 98 C CE1 . TYR A 1 12 ? 23.976 11.899 -14.739 1.00 86.31 12 A 1 ATOM 99 C CE2 . TYR A 1 12 ? 21.620 12.189 -15.327 1.00 86.51 12 A 1 ATOM 100 C CZ . TYR A 1 12 ? 22.973 12.087 -15.713 1.00 86.81 12 A 1 ATOM 101 O OH . TYR A 1 12 ? 23.310 12.168 -17.031 1.00 84.92 12 A 1 ATOM 102 N N . LYS A 1 13 ? 23.174 8.969 -10.883 1.00 94.55 13 A 1 ATOM 103 C CA . LYS A 1 13 ? 24.048 7.811 -11.156 1.00 94.82 13 A 1 ATOM 104 C C . LYS A 1 13 ? 23.262 6.500 -11.166 1.00 95.23 13 A 1 ATOM 105 O O . LYS A 1 13 ? 23.437 5.698 -12.087 1.00 95.59 13 A 1 ATOM 106 C CB . LYS A 1 13 ? 25.180 7.743 -10.117 1.00 95.31 13 A 1 ATOM 107 C CG . LYS A 1 13 ? 26.259 8.800 -10.370 1.00 87.25 13 A 1 ATOM 108 C CD . LYS A 1 13 ? 27.292 8.820 -9.230 1.00 84.38 13 A 1 ATOM 109 C CE . LYS A 1 13 ? 28.314 9.925 -9.501 1.00 77.44 13 A 1 ATOM 110 N NZ . LYS A 1 13 ? 29.158 10.239 -8.317 1.00 69.52 13 A 1 ATOM 111 N N . ASN A 1 14 ? 22.366 6.310 -10.204 1.00 95.40 14 A 1 ATOM 112 C CA . ASN A 1 14 ? 21.520 5.121 -10.135 1.00 95.07 14 A 1 ATOM 113 C C . ASN A 1 14 ? 20.562 5.030 -11.328 1.00 95.32 14 A 1 ATOM 114 O O . ASN A 1 14 ? 20.450 3.964 -11.928 1.00 95.24 14 A 1 ATOM 115 C CB . ASN A 1 14 ? 20.774 5.111 -8.790 1.00 95.17 14 A 1 ATOM 116 C CG . ASN A 1 14 ? 21.700 4.840 -7.616 1.00 93.41 14 A 1 ATOM 117 O OD1 . ASN A 1 14 ? 22.802 4.338 -7.761 1.00 88.42 14 A 1 ATOM 118 N ND2 . ASN A 1 14 ? 21.265 5.136 -6.416 1.00 87.74 14 A 1 ATOM 119 N N . LEU A 1 15 ? 19.953 6.139 -11.743 1.00 94.38 15 A 1 ATOM 120 C CA . LEU A 1 15 ? 19.113 6.217 -12.943 1.00 93.65 15 A 1 ATOM 121 C C . LEU A 1 15 ? 19.883 5.792 -14.204 1.00 94.16 15 A 1 ATOM 122 O O . LEU A 1 15 ? 19.397 4.989 -15.001 1.00 94.60 15 A 1 ATOM 123 C CB . LEU A 1 15 ? 18.603 7.666 -13.073 1.00 92.81 15 A 1 ATOM 124 C CG . LEU A 1 15 ? 17.626 7.891 -14.241 1.00 88.40 15 A 1 ATOM 125 C CD1 . LEU A 1 15 ? 16.225 7.436 -13.861 1.00 81.94 15 A 1 ATOM 126 C CD2 . LEU A 1 15 ? 17.565 9.373 -14.607 1.00 81.22 15 A 1 ATOM 127 N N . VAL A 1 16 ? 21.106 6.312 -14.377 1.00 93.95 16 A 1 ATOM 128 C CA . VAL A 1 16 ? 21.970 5.967 -15.518 1.00 93.84 16 A 1 ATOM 129 C C . VAL A 1 16 ? 22.355 4.486 -15.495 1.00 94.80 16 A 1 ATOM 130 O O . VAL A 1 16 ? 22.311 3.821 -16.531 1.00 95.20 16 A 1 ATOM 131 C CB . VAL A 1 16 ? 23.225 6.865 -15.537 1.00 93.27 16 A 1 ATOM 132 C CG1 . VAL A 1 16 ? 24.261 6.416 -16.577 1.00 91.10 16 A 1 ATOM 133 C CG2 . VAL A 1 16 ? 22.856 8.315 -15.867 1.00 91.01 16 A 1 ATOM 134 N N . ASN A 1 17 ? 22.722 3.955 -14.339 1.00 95.06 17 A 1 ATOM 135 C CA . ASN A 1 17 ? 23.096 2.545 -14.209 1.00 95.32 17 A 1 ATOM 136 C C . ASN A 1 17 ? 21.902 1.617 -14.458 1.00 95.79 17 A 1 ATOM 137 O O . ASN A 1 17 ? 22.037 0.634 -15.187 1.00 95.75 17 A 1 ATOM 138 C CB . ASN A 1 17 ? 23.720 2.322 -12.823 1.00 95.54 17 A 1 ATOM 139 C CG . ASN A 1 17 ? 25.094 2.959 -12.682 1.00 94.16 17 A 1 ATOM 140 O OD1 . ASN A 1 17 ? 25.784 3.259 -13.649 1.00 88.82 17 A 1 ATOM 141 N ND2 . ASN A 1 17 ? 25.548 3.147 -11.465 1.00 88.13 17 A 1 ATOM 142 N N . TYR A 1 18 ? 20.735 1.959 -13.930 1.00 94.95 18 A 1 ATOM 143 C CA . TYR A 1 18 ? 19.511 1.191 -14.130 1.00 94.75 18 A 1 ATOM 144 C C . TYR A 1 18 ? 19.103 1.157 -15.606 1.00 94.94 18 A 1 ATOM 145 O O . TYR A 1 18 ? 18.880 0.083 -16.156 1.00 95.06 18 A 1 ATOM 146 C CB . TYR A 1 18 ? 18.403 1.776 -13.247 1.00 94.72 18 A 1 ATOM 147 C CG . TYR A 1 18 ? 17.118 0.974 -13.322 1.00 94.33 18 A 1 ATOM 148 C CD1 . TYR A 1 18 ? 16.123 1.316 -14.259 1.00 91.10 18 A 1 ATOM 149 C CD2 . TYR A 1 18 ? 16.931 -0.137 -12.477 1.00 91.66 18 A 1 ATOM 150 C CE1 . TYR A 1 18 ? 14.944 0.553 -14.347 1.00 89.79 18 A 1 ATOM 151 C CE2 . TYR A 1 18 ? 15.754 -0.902 -12.561 1.00 90.16 18 A 1 ATOM 152 C CZ . TYR A 1 18 ? 14.759 -0.554 -13.497 1.00 90.44 18 A 1 ATOM 153 O OH . TYR A 1 18 ? 13.613 -1.288 -13.582 1.00 88.55 18 A 1 ATOM 154 N N . THR A 1 19 ? 19.077 2.310 -16.277 1.00 93.92 19 A 1 ATOM 155 C CA . THR A 1 19 ? 18.708 2.369 -17.703 1.00 93.05 19 A 1 ATOM 156 C C . THR A 1 19 ? 19.689 1.626 -18.606 1.00 93.30 19 A 1 ATOM 157 O O . THR A 1 19 ? 19.270 1.014 -19.584 1.00 93.41 19 A 1 ATOM 158 C CB . THR A 1 19 ? 18.561 3.807 -18.199 1.00 92.44 19 A 1 ATOM 159 O OG1 . THR A 1 19 ? 19.693 4.582 -17.875 1.00 88.27 19 A 1 ATOM 160 C CG2 . THR A 1 19 ? 17.342 4.493 -17.585 1.00 88.04 19 A 1 ATOM 161 N N . LYS A 1 20 ? 20.974 1.611 -18.270 1.00 94.22 20 A 1 ATOM 162 C CA . LYS A 1 20 ? 21.962 0.765 -18.963 1.00 94.13 20 A 1 ATOM 163 C C . LYS A 1 20 ? 21.685 -0.722 -18.755 1.00 94.48 20 A 1 ATOM 164 O O . LYS A 1 20 ? 21.802 -1.486 -19.705 1.00 94.11 20 A 1 ATOM 165 C CB . LYS A 1 20 ? 23.379 1.085 -18.473 1.00 94.24 20 A 1 ATOM 166 C CG . LYS A 1 20 ? 23.909 2.412 -19.025 1.00 88.79 20 A 1 ATOM 167 C CD . LYS A 1 20 ? 25.251 2.719 -18.351 1.00 86.09 20 A 1 ATOM 168 C CE . LYS A 1 20 ? 25.806 4.056 -18.837 1.00 80.45 20 A 1 ATOM 169 N NZ . LYS A 1 20 ? 27.072 4.378 -18.133 1.00 72.76 20 A 1 ATOM 170 N N . LEU A 1 21 ? 21.337 -1.118 -17.542 1.00 94.69 21 A 1 ATOM 171 C CA . LEU A 1 21 ? 21.033 -2.510 -17.205 1.00 94.03 21 A 1 ATOM 172 C C . LEU A 1 21 ? 19.774 -3.008 -17.921 1.00 94.11 21 A 1 ATOM 173 O O . LEU A 1 21 ? 19.758 -4.127 -18.428 1.00 93.28 21 A 1 ATOM 174 C CB . LEU A 1 21 ? 20.895 -2.613 -15.674 1.00 94.06 21 A 1 ATOM 175 C CG . LEU A 1 21 ? 20.577 -4.031 -15.156 1.00 87.69 21 A 1 ATOM 176 C CD1 . LEU A 1 21 ? 21.742 -4.991 -15.397 1.00 82.71 21 A 1 ATOM 177 C CD2 . LEU A 1 21 ? 20.299 -3.971 -13.652 1.00 84.15 21 A 1 ATOM 178 N N . THR A 1 22 ? 18.731 -2.182 -17.983 1.00 93.85 22 A 1 ATOM 179 C CA . THR A 1 22 ? 17.438 -2.549 -18.584 1.00 92.78 22 A 1 ATOM 180 C C . THR A 1 22 ? 17.346 -2.239 -20.078 1.00 93.23 22 A 1 ATOM 181 O O . THR A 1 22 ? 16.337 -2.556 -20.699 1.00 92.06 22 A 1 ATOM 182 C CB . THR A 1 22 ? 16.285 -1.872 -17.839 1.00 92.54 22 A 1 ATOM 183 O OG1 . THR A 1 22 ? 16.418 -0.475 -17.892 1.00 91.32 22 A 1 ATOM 184 C CG2 . THR A 1 22 ? 16.249 -2.286 -16.363 1.00 89.79 22 A 1 ATOM 185 N N . ASN A 1 23 ? 18.370 -1.611 -20.650 1.00 93.91 23 A 1 ATOM 186 C CA . ASN A 1 23 ? 18.365 -1.099 -22.020 1.00 93.60 23 A 1 ATOM 187 C C . ASN A 1 23 ? 17.146 -0.196 -22.321 1.00 93.02 23 A 1 ATOM 188 O O . ASN A 1 23 ? 16.576 -0.212 -23.412 1.00 91.44 23 A 1 ATOM 189 C CB . ASN A 1 23 ? 18.558 -2.271 -22.997 1.00 93.46 23 A 1 ATOM 190 C CG . ASN A 1 23 ? 18.919 -1.813 -24.394 1.00 86.51 23 A 1 ATOM 191 O OD1 . ASN A 1 23 ? 19.676 -0.876 -24.606 1.00 79.65 23 A 1 ATOM 192 N ND2 . ASN A 1 23 ? 18.414 -2.483 -25.402 1.00 78.28 23 A 1 ATOM 193 N N . GLU A 1 24 ? 16.721 0.602 -21.333 1.00 93.14 24 A 1 ATOM 194 C CA . GLU A 1 24 ? 15.585 1.528 -21.403 1.00 91.95 24 A 1 ATOM 195 C C . GLU A 1 24 ? 16.091 2.977 -21.472 1.00 92.04 24 A 1 ATOM 196 O O . GLU A 1 24 ? 17.093 3.341 -20.857 1.00 89.89 24 A 1 ATOM 197 C CB . GLU A 1 24 ? 14.648 1.275 -20.203 1.00 89.04 24 A 1 ATOM 198 C CG . GLU A 1 24 ? 13.323 2.054 -20.289 1.00 82.93 24 A 1 ATOM 199 C CD . GLU A 1 24 ? 12.340 1.768 -19.132 1.00 83.49 24 A 1 ATOM 200 O OE1 . GLU A 1 24 ? 11.117 1.951 -19.333 1.00 75.15 24 A 1 ATOM 201 O OE2 . GLU A 1 24 ? 12.757 1.395 -18.012 1.00 78.03 24 A 1 ATOM 202 N N . SER A 1 25 ? 15.408 3.855 -22.215 1.00 92.72 25 A 1 ATOM 203 C CA . SER A 1 25 ? 15.776 5.274 -22.219 1.00 92.55 25 A 1 ATOM 204 C C . SER A 1 25 ? 15.331 5.966 -20.928 1.00 92.74 25 A 1 ATOM 205 O O . SER A 1 25 ? 14.267 5.672 -20.385 1.00 91.92 25 A 1 ATOM 206 C CB . SER A 1 25 ? 15.251 5.991 -23.467 1.00 90.93 25 A 1 ATOM 207 O OG . SER A 1 25 ? 13.900 6.386 -23.328 1.00 86.16 25 A 1 ATOM 208 N N . HIS A 1 26 ? 16.086 6.979 -20.484 1.00 92.01 26 A 1 ATOM 209 C CA . HIS A 1 26 ? 15.731 7.789 -19.306 1.00 91.73 26 A 1 ATOM 210 C C . HIS A 1 26 ? 14.319 8.383 -19.405 1.00 92.72 26 A 1 ATOM 211 O O . HIS A 1 26 ? 13.592 8.426 -18.420 1.00 92.37 26 A 1 ATOM 212 C CB . HIS A 1 26 ? 16.733 8.940 -19.148 1.00 89.78 26 A 1 ATOM 213 C CG . HIS A 1 26 ? 18.162 8.498 -19.002 1.00 85.39 26 A 1 ATOM 214 N ND1 . HIS A 1 26 ? 19.046 8.256 -20.029 1.00 75.02 26 A 1 ATOM 215 C CD2 . HIS A 1 26 ? 18.823 8.276 -17.826 1.00 74.35 26 A 1 ATOM 216 C CE1 . HIS A 1 26 ? 20.216 7.889 -19.480 1.00 73.71 26 A 1 ATOM 217 N NE2 . HIS A 1 26 ? 20.130 7.896 -18.146 1.00 75.47 26 A 1 ATOM 218 N N . ASN A 1 27 ? 13.919 8.821 -20.602 1.00 92.46 27 A 1 ATOM 219 C CA . ASN A 1 27 ? 12.605 9.407 -20.820 1.00 92.47 27 A 1 ATOM 220 C C . ASN A 1 27 ? 11.480 8.379 -20.633 1.00 93.48 27 A 1 ATOM 221 O O . ASN A 1 27 ? 10.485 8.684 -19.984 1.00 93.35 27 A 1 ATOM 222 C CB . ASN A 1 27 ? 12.581 10.036 -22.223 1.00 90.82 27 A 1 ATOM 223 C CG . ASN A 1 27 ? 11.335 10.862 -22.484 1.00 80.88 27 A 1 ATOM 224 O OD1 . ASN A 1 27 ? 10.637 11.310 -21.598 1.00 73.66 27 A 1 ATOM 225 N ND2 . ASN A 1 27 ? 11.022 11.132 -23.726 1.00 70.90 27 A 1 ATOM 226 N N . ILE A 1 28 ? 11.638 7.174 -21.173 1.00 92.51 28 A 1 ATOM 227 C CA . ILE A 1 28 ? 10.653 6.096 -21.000 1.00 93.44 28 A 1 ATOM 228 C C . ILE A 1 28 ? 10.548 5.726 -19.523 1.00 94.11 28 A 1 ATOM 229 O O . ILE A 1 28 ? 9.445 5.741 -18.979 1.00 93.95 28 A 1 ATOM 230 C CB . ILE A 1 28 ? 10.993 4.884 -21.896 1.00 93.37 28 A 1 ATOM 231 C CG1 . ILE A 1 28 ? 10.781 5.249 -23.382 1.00 91.06 28 A 1 ATOM 232 C CG2 . ILE A 1 28 ? 10.128 3.661 -21.534 1.00 90.91 28 A 1 ATOM 233 C CD1 . ILE A 1 28 ? 11.372 4.227 -24.367 1.00 83.22 28 A 1 ATOM 234 N N . LEU A 1 29 ? 11.680 5.492 -18.865 1.00 93.59 29 A 1 ATOM 235 C CA . LEU A 1 29 ? 11.716 5.150 -17.442 1.00 93.75 29 A 1 ATOM 236 C C . LEU A 1 29 ? 11.036 6.216 -16.580 1.00 94.39 29 A 1 ATOM 237 O O . LEU A 1 29 ? 10.157 5.891 -15.785 1.00 94.41 29 A 1 ATOM 238 C CB . LEU A 1 29 ? 13.180 4.920 -17.021 1.00 93.43 29 A 1 ATOM 239 C CG . LEU A 1 29 ? 13.363 4.651 -15.513 1.00 92.09 29 A 1 ATOM 240 C CD1 . LEU A 1 29 ? 12.602 3.423 -15.026 1.00 89.05 29 A 1 ATOM 241 C CD2 . LEU A 1 29 ? 14.838 4.421 -15.204 1.00 88.85 29 A 1 ATOM 242 N N . VAL A 1 30 ? 11.382 7.489 -16.746 1.00 92.83 30 A 1 ATOM 243 C CA . VAL A 1 30 ? 10.802 8.579 -15.945 1.00 93.17 30 A 1 ATOM 244 C C . VAL A 1 30 ? 9.295 8.699 -16.183 1.00 93.86 30 A 1 ATOM 245 O O . VAL A 1 30 ? 8.540 8.823 -15.223 1.00 94.05 30 A 1 ATOM 246 C CB . VAL A 1 30 ? 11.532 9.909 -16.213 1.00 92.39 30 A 1 ATOM 247 C CG1 . VAL A 1 30 ? 10.828 11.117 -15.586 1.00 89.92 30 A 1 ATOM 248 C CG2 . VAL A 1 30 ? 12.954 9.862 -15.627 1.00 89.83 30 A 1 ATOM 249 N N . ASN A 1 31 ? 8.824 8.621 -17.433 1.00 93.77 31 A 1 ATOM 250 C CA . ASN A 1 31 ? 7.382 8.658 -17.712 1.00 93.67 31 A 1 ATOM 251 C C . ASN A 1 31 ? 6.646 7.451 -17.120 1.00 94.06 31 A 1 ATOM 252 O O . ASN A 1 31 ? 5.547 7.614 -16.593 1.00 93.89 31 A 1 ATOM 253 C CB . ASN A 1 31 ? 7.135 8.756 -19.223 1.00 93.28 31 A 1 ATOM 254 C CG . ASN A 1 31 ? 7.277 10.178 -19.717 1.00 90.90 31 A 1 ATOM 255 O OD1 . ASN A 1 31 ? 6.388 11.001 -19.594 1.00 85.27 31 A 1 ATOM 256 N ND2 . ASN A 1 31 ? 8.402 10.520 -20.285 1.00 84.38 31 A 1 ATOM 257 N N . ARG A 1 32 ? 7.247 6.269 -17.172 1.00 94.44 32 A 1 ATOM 258 C CA . ARG A 1 32 ? 6.682 5.065 -16.546 1.00 94.12 32 A 1 ATOM 259 C C . ARG A 1 32 ? 6.575 5.226 -15.030 1.00 94.61 32 A 1 ATOM 260 O O . ARG A 1 32 ? 5.502 4.981 -14.487 1.00 94.77 32 A 1 ATOM 261 C CB . ARG A 1 32 ? 7.522 3.846 -16.950 1.00 94.00 32 A 1 ATOM 262 C CG . ARG A 1 32 ? 6.969 2.544 -16.354 1.00 91.15 32 A 1 ATOM 263 C CD . ARG A 1 32 ? 7.667 1.310 -16.947 1.00 89.27 32 A 1 ATOM 264 N NE . ARG A 1 32 ? 9.126 1.300 -16.740 1.00 83.32 32 A 1 ATOM 265 C CZ . ARG A 1 32 ? 9.777 0.948 -15.650 1.00 80.61 32 A 1 ATOM 266 N NH1 . ARG A 1 32 ? 9.171 0.591 -14.547 1.00 74.20 32 A 1 ATOM 267 N NH2 . ARG A 1 32 ? 11.079 0.936 -15.671 1.00 71.08 32 A 1 ATOM 268 N N . LEU A 1 33 ? 7.623 5.725 -14.373 1.00 93.88 33 A 1 ATOM 269 C CA . LEU A 1 33 ? 7.598 6.001 -12.934 1.00 93.36 33 A 1 ATOM 270 C C . LEU A 1 33 ? 6.528 7.038 -12.570 1.00 93.67 33 A 1 ATOM 271 O O . LEU A 1 33 ? 5.756 6.823 -11.640 1.00 93.56 33 A 1 ATOM 272 C CB . LEU A 1 33 ? 8.987 6.475 -12.466 1.00 93.40 33 A 1 ATOM 273 C CG . LEU A 1 33 ? 10.091 5.399 -12.507 1.00 90.42 33 A 1 ATOM 274 C CD1 . LEU A 1 33 ? 11.436 6.047 -12.171 1.00 87.64 33 A 1 ATOM 275 C CD2 . LEU A 1 33 ? 9.845 4.265 -11.516 1.00 87.94 33 A 1 ATOM 276 N N . ILE A 1 34 ? 6.410 8.133 -13.331 1.00 93.65 34 A 1 ATOM 277 C CA . ILE A 1 34 ? 5.345 9.124 -13.118 1.00 93.81 34 A 1 ATOM 278 C C . ILE A 1 34 ? 3.963 8.476 -13.279 1.00 94.07 34 A 1 ATOM 279 O O . ILE A 1 34 ? 3.081 8.688 -12.448 1.00 94.15 34 A 1 ATOM 280 C CB . ILE A 1 34 ? 5.528 10.333 -14.066 1.00 93.84 34 A 1 ATOM 281 C CG1 . ILE A 1 34 ? 6.773 11.148 -13.642 1.00 93.24 34 A 1 ATOM 282 C CG2 . ILE A 1 34 ? 4.284 11.244 -14.081 1.00 93.25 34 A 1 ATOM 283 C CD1 . ILE A 1 34 ? 7.222 12.183 -14.679 1.00 90.29 34 A 1 ATOM 284 N N . SER A 1 35 ? 3.775 7.678 -14.319 1.00 95.28 35 A 1 ATOM 285 C CA . SER A 1 35 ? 2.501 6.985 -14.534 1.00 95.12 35 A 1 ATOM 286 C C . SER A 1 35 ? 2.166 6.026 -13.389 1.00 94.75 35 A 1 ATOM 287 O O . SER A 1 35 ? 1.042 6.035 -12.891 1.00 94.87 35 A 1 ATOM 288 C CB . SER A 1 35 ? 2.538 6.240 -15.867 1.00 95.37 35 A 1 ATOM 289 O OG . SER A 1 35 ? 1.296 5.607 -16.119 1.00 86.20 35 A 1 ATOM 290 N N . GLU A 1 36 ? 3.125 5.218 -12.947 1.00 94.54 36 A 1 ATOM 291 C CA . GLU A 1 36 ? 2.903 4.171 -11.940 1.00 93.31 36 A 1 ATOM 292 C C . GLU A 1 36 ? 2.737 4.712 -10.520 1.00 93.09 36 A 1 ATOM 293 O O . GLU A 1 36 ? 1.880 4.217 -9.786 1.00 91.53 36 A 1 ATOM 294 C CB . GLU A 1 36 ? 4.045 3.149 -11.981 1.00 93.01 36 A 1 ATOM 295 C CG . GLU A 1 36 ? 3.927 2.247 -13.221 1.00 85.26 36 A 1 ATOM 296 C CD . GLU A 1 36 ? 5.044 1.199 -13.335 1.00 82.79 36 A 1 ATOM 297 O OE1 . GLU A 1 36 ? 5.078 0.543 -14.408 1.00 72.86 36 A 1 ATOM 298 O OE2 . GLU A 1 36 ? 5.836 1.045 -12.386 1.00 74.20 36 A 1 ATOM 299 N N . TYR A 1 37 ? 3.532 5.724 -10.144 1.00 92.91 37 A 1 ATOM 300 C CA . TYR A 1 37 ? 3.595 6.229 -8.769 1.00 91.89 37 A 1 ATOM 301 C C . TYR A 1 37 ? 2.846 7.547 -8.549 1.00 92.50 37 A 1 ATOM 302 O O . TYR A 1 37 ? 2.650 7.934 -7.401 1.00 91.41 37 A 1 ATOM 303 C CB . TYR A 1 37 ? 5.057 6.340 -8.328 1.00 91.61 37 A 1 ATOM 304 C CG . TYR A 1 37 ? 5.762 4.995 -8.236 1.00 90.17 37 A 1 ATOM 305 C CD1 . TYR A 1 37 ? 5.495 4.138 -7.149 1.00 86.91 37 A 1 ATOM 306 C CD2 . TYR A 1 37 ? 6.668 4.588 -9.235 1.00 87.25 37 A 1 ATOM 307 C CE1 . TYR A 1 37 ? 6.136 2.887 -7.056 1.00 85.05 37 A 1 ATOM 308 C CE2 . TYR A 1 37 ? 7.310 3.335 -9.148 1.00 85.73 37 A 1 ATOM 309 C CZ . TYR A 1 37 ? 7.045 2.485 -8.057 1.00 86.09 37 A 1 ATOM 310 O OH . TYR A 1 37 ? 7.669 1.274 -7.966 1.00 83.75 37 A 1 ATOM 311 N N . ILE A 1 38 ? 2.415 8.230 -9.615 1.00 92.41 38 A 1 ATOM 312 C CA . ILE A 1 38 ? 1.674 9.489 -9.492 1.00 93.21 38 A 1 ATOM 313 C C . ILE A 1 38 ? 0.328 9.381 -10.205 1.00 94.07 38 A 1 ATOM 314 O O . ILE A 1 38 ? -0.709 9.488 -9.555 1.00 94.28 38 A 1 ATOM 315 C CB . ILE A 1 38 ? 2.507 10.708 -9.971 1.00 93.15 38 A 1 ATOM 316 C CG1 . ILE A 1 38 ? 3.863 10.775 -9.217 1.00 91.96 38 A 1 ATOM 317 C CG2 . ILE A 1 38 ? 1.704 12.009 -9.799 1.00 91.60 38 A 1 ATOM 318 C CD1 . ILE A 1 38 ? 4.795 11.900 -9.682 1.00 86.90 38 A 1 ATOM 319 N N . THR A 1 39 ? 0.323 9.152 -11.521 1.00 95.10 39 A 1 ATOM 320 C CA . THR A 1 39 ? -0.904 9.246 -12.319 1.00 95.26 39 A 1 ATOM 321 C C . THR A 1 39 ? -1.925 8.181 -11.921 1.00 95.35 39 A 1 ATOM 322 O O . THR A 1 39 ? -3.042 8.531 -11.545 1.00 95.54 39 A 1 ATOM 323 C CB . THR A 1 39 ? -0.596 9.160 -13.822 1.00 95.31 39 A 1 ATOM 324 O OG1 . THR A 1 39 ? 0.374 10.122 -14.170 1.00 93.36 39 A 1 ATOM 325 C CG2 . THR A 1 39 ? -1.820 9.423 -14.690 1.00 92.61 39 A 1 ATOM 326 N N . LYS A 1 40 ? -1.546 6.898 -11.939 1.00 94.11 40 A 1 ATOM 327 C CA . LYS A 1 40 ? -2.483 5.809 -11.611 1.00 93.65 40 A 1 ATOM 328 C C . LYS A 1 40 ? -3.022 5.890 -10.173 1.00 93.92 40 A 1 ATOM 329 O O . LYS A 1 40 ? -4.240 5.795 -10.014 1.00 93.86 40 A 1 ATOM 330 C CB . LYS A 1 40 ? -1.848 4.431 -11.868 1.00 93.76 40 A 1 ATOM 331 C CG . LYS A 1 40 ? -1.613 4.112 -13.349 1.00 91.99 40 A 1 ATOM 332 C CD . LYS A 1 40 ? -0.818 2.802 -13.442 1.00 89.67 40 A 1 ATOM 333 C CE . LYS A 1 40 ? -0.474 2.449 -14.890 1.00 85.79 40 A 1 ATOM 334 N NZ . LYS A 1 40 ? 0.480 1.314 -14.938 1.00 78.99 40 A 1 ATOM 335 N N . PRO A 1 41 ? -2.181 6.107 -9.135 1.00 94.46 41 A 1 ATOM 336 C CA . PRO A 1 41 ? -2.695 6.292 -7.775 1.00 93.42 41 A 1 ATOM 337 C C . PRO A 1 41 ? -3.615 7.512 -7.639 1.00 94.24 41 A 1 ATOM 338 O O . PRO A 1 41 ? -4.626 7.442 -6.943 1.00 94.06 41 A 1 ATOM 339 C CB . PRO A 1 41 ? -1.462 6.429 -6.874 1.00 92.09 41 A 1 ATOM 340 C CG . PRO A 1 41 ? -0.380 5.673 -7.632 1.00 90.40 41 A 1 ATOM 341 C CD . PRO A 1 41 ? -0.721 6.006 -9.084 1.00 92.56 41 A 1 ATOM 342 N N . TYR A 1 42 ? -3.296 8.621 -8.317 1.00 93.52 42 A 1 ATOM 343 C CA . TYR A 1 42 ? -4.122 9.827 -8.304 1.00 94.62 42 A 1 ATOM 344 C C . TYR A 1 42 ? -5.492 9.593 -8.957 1.00 95.25 42 A 1 ATOM 345 O O . TYR A 1 42 ? -6.517 9.915 -8.350 1.00 95.83 42 A 1 ATOM 346 C CB . TYR A 1 42 ? -3.360 10.964 -8.991 1.00 95.28 42 A 1 ATOM 347 C CG . TYR A 1 42 ? -4.167 12.239 -9.121 1.00 95.21 42 A 1 ATOM 348 C CD1 . TYR A 1 42 ? -4.702 12.613 -10.371 1.00 91.60 42 A 1 ATOM 349 C CD2 . TYR A 1 42 ? -4.403 13.035 -7.987 1.00 92.72 42 A 1 ATOM 350 C CE1 . TYR A 1 42 ? -5.466 13.789 -10.485 1.00 90.97 42 A 1 ATOM 351 C CE2 . TYR A 1 42 ? -5.173 14.210 -8.096 1.00 91.94 42 A 1 ATOM 352 C CZ . TYR A 1 42 ? -5.704 14.586 -9.347 1.00 92.54 42 A 1 ATOM 353 O OH . TYR A 1 42 ? -6.452 15.720 -9.451 1.00 91.14 42 A 1 ATOM 354 N N . GLU A 1 43 ? -5.524 9.003 -10.148 1.00 95.05 43 A 1 ATOM 355 C CA . GLU A 1 43 ? -6.769 8.673 -10.856 1.00 95.37 43 A 1 ATOM 356 C C . GLU A 1 43 ? -7.636 7.697 -10.052 1.00 95.55 43 A 1 ATOM 357 O O . GLU A 1 43 ? -8.829 7.939 -9.873 1.00 95.27 43 A 1 ATOM 358 C CB . GLU A 1 43 ? -6.431 8.072 -12.230 1.00 95.80 43 A 1 ATOM 359 C CG . GLU A 1 43 ? -5.907 9.128 -13.217 1.00 94.41 43 A 1 ATOM 360 C CD . GLU A 1 43 ? -5.372 8.535 -14.538 1.00 93.62 43 A 1 ATOM 361 O OE1 . GLU A 1 43 ? -5.088 9.343 -15.452 1.00 87.01 43 A 1 ATOM 362 O OE2 . GLU A 1 43 ? -5.174 7.301 -14.621 1.00 88.62 43 A 1 ATOM 363 N N . LEU A 1 44 ? -7.021 6.659 -9.490 1.00 95.25 44 A 1 ATOM 364 C CA . LEU A 1 44 ? -7.716 5.714 -8.613 1.00 95.15 44 A 1 ATOM 365 C C . LEU A 1 44 ? -8.317 6.411 -7.388 1.00 95.70 44 A 1 ATOM 366 O O . LEU A 1 44 ? -9.447 6.133 -6.989 1.00 95.26 44 A 1 ATOM 367 C CB . LEU A 1 44 ? -6.721 4.616 -8.194 1.00 95.04 44 A 1 ATOM 368 C CG . LEU A 1 44 ? -7.328 3.550 -7.262 1.00 93.64 44 A 1 ATOM 369 C CD1 . LEU A 1 44 ? -8.465 2.785 -7.936 1.00 90.89 44 A 1 ATOM 370 C CD2 . LEU A 1 44 ? -6.249 2.553 -6.849 1.00 91.49 44 A 1 ATOM 371 N N . ARG A 1 45 ? -7.577 7.331 -6.791 1.00 94.86 45 A 1 ATOM 372 C CA . ARG A 1 45 ? -8.058 8.097 -5.643 1.00 94.38 45 A 1 ATOM 373 C C . ARG A 1 45 ? -9.249 8.980 -6.005 1.00 94.95 45 A 1 ATOM 374 O O . ARG A 1 45 ? -10.180 9.055 -5.205 1.00 94.90 45 A 1 ATOM 375 C CB . ARG A 1 45 ? -6.910 8.925 -5.063 1.00 93.40 45 A 1 ATOM 376 C CG . ARG A 1 45 ? -7.313 9.580 -3.740 1.00 86.21 45 A 1 ATOM 377 C CD . ARG A 1 45 ? -6.117 10.324 -3.147 1.00 83.21 45 A 1 ATOM 378 N NE . ARG A 1 45 ? -6.240 10.423 -1.686 1.00 75.17 45 A 1 ATOM 379 C CZ . ARG A 1 45 ? -5.255 10.651 -0.836 1.00 68.35 45 A 1 ATOM 380 N NH1 . ARG A 1 45 ? -4.051 10.934 -1.248 1.00 62.57 45 A 1 ATOM 381 N NH2 . ARG A 1 45 ? -5.470 10.584 0.452 1.00 60.61 45 A 1 ATOM 382 N N . LEU A 1 46 ? -9.213 9.636 -7.167 1.00 94.96 46 A 1 ATOM 383 C CA . LEU A 1 46 ? -10.339 10.437 -7.647 1.00 95.23 46 A 1 ATOM 384 C C . LEU A 1 46 ? -11.583 9.569 -7.841 1.00 95.62 46 A 1 ATOM 385 O O . LEU A 1 46 ? -12.589 9.839 -7.186 1.00 95.75 46 A 1 ATOM 386 C CB . LEU A 1 46 ? -9.974 11.170 -8.944 1.00 95.58 46 A 1 ATOM 387 C CG . LEU A 1 46 ? -9.006 12.353 -8.782 1.00 89.62 46 A 1 ATOM 388 C CD1 . LEU A 1 46 ? -8.763 12.952 -10.172 1.00 86.40 46 A 1 ATOM 389 C CD2 . LEU A 1 46 ? -9.556 13.457 -7.876 1.00 88.07 46 A 1 ATOM 390 N N . ASP A 1 47 ? -11.474 8.499 -8.609 1.00 95.30 47 A 1 ATOM 391 C CA . ASP A 1 47 ? -12.574 7.562 -8.879 1.00 94.94 47 A 1 ATOM 392 C C . ASP A 1 47 ? -13.208 7.015 -7.584 1.00 95.47 47 A 1 ATOM 393 O O . ASP A 1 47 ? -14.427 7.054 -7.394 1.00 95.02 47 A 1 ATOM 394 C CB . ASP A 1 47 ? -12.012 6.433 -9.756 1.00 94.53 47 A 1 ATOM 395 C CG . ASP A 1 47 ? -13.000 5.279 -9.908 1.00 89.09 47 A 1 ATOM 396 O OD1 . ASP A 1 47 ? -14.058 5.456 -10.541 1.00 83.82 47 A 1 ATOM 397 O OD2 . ASP A 1 47 ? -12.722 4.202 -9.336 1.00 82.05 47 A 1 ATOM 398 N N . LEU A 1 48 ? -12.387 6.581 -6.632 1.00 94.56 48 A 1 ATOM 399 C CA . LEU A 1 48 ? -12.890 6.106 -5.341 1.00 94.51 48 A 1 ATOM 400 C C . LEU A 1 48 ? -13.545 7.225 -4.524 1.00 94.67 48 A 1 ATOM 401 O O . LEU A 1 48 ? -14.547 6.984 -3.865 1.00 94.82 48 A 1 ATOM 402 C CB . LEU A 1 48 ? -11.749 5.452 -4.551 1.00 94.76 48 A 1 ATOM 403 C CG . LEU A 1 48 ? -11.277 4.102 -5.120 1.00 93.34 48 A 1 ATOM 404 C CD1 . LEU A 1 48 ? -10.019 3.661 -4.376 1.00 91.36 48 A 1 ATOM 405 C CD2 . LEU A 1 48 ? -12.332 3.005 -4.963 1.00 92.27 48 A 1 ATOM 406 N N . SER A 1 49 ? -13.012 8.446 -4.567 1.00 94.74 49 A 1 ATOM 407 C CA . SER A 1 49 ? -13.563 9.580 -3.810 1.00 94.31 49 A 1 ATOM 408 C C . SER A 1 49 ? -14.922 10.072 -4.319 1.00 94.68 49 A 1 ATOM 409 O O . SER A 1 49 ? -15.666 10.685 -3.555 1.00 94.15 49 A 1 ATOM 410 C CB . SER A 1 49 ? -12.562 10.738 -3.757 1.00 93.27 49 A 1 ATOM 411 O OG . SER A 1 49 ? -12.418 11.424 -4.981 1.00 83.23 49 A 1 ATOM 412 N N . GLU A 1 50 ? -15.260 9.794 -5.582 1.00 95.20 50 A 1 ATOM 413 C CA . GLU A 1 50 ? -16.580 10.095 -6.144 1.00 94.93 50 A 1 ATOM 414 C C . GLU A 1 50 ? -17.661 9.123 -5.647 1.00 94.98 50 A 1 ATOM 415 O O . GLU A 1 50 ? -18.830 9.496 -5.552 1.00 93.75 50 A 1 ATOM 416 C CB . GLU A 1 50 ? -16.509 10.061 -7.678 1.00 94.93 50 A 1 ATOM 417 C CG . GLU A 1 50 ? -15.690 11.235 -8.246 1.00 90.36 50 A 1 ATOM 418 C CD . GLU A 1 50 ? -15.631 11.266 -9.782 1.00 86.10 50 A 1 ATOM 419 O OE1 . GLU A 1 50 ? -15.037 12.239 -10.303 1.00 77.76 50 A 1 ATOM 420 O OE2 . GLU A 1 50 ? -16.211 10.369 -10.437 1.00 79.95 50 A 1 ATOM 421 N N . ARG A 1 51 ? -17.265 7.897 -5.315 1.00 95.68 51 A 1 ATOM 422 C CA . ARG A 1 51 ? -18.180 6.800 -4.964 1.00 95.03 51 A 1 ATOM 423 C C . ARG A 1 51 ? -18.212 6.474 -3.475 1.00 95.77 51 A 1 ATOM 424 O O . ARG A 1 51 ? -19.224 5.983 -2.980 1.00 95.25 51 A 1 ATOM 425 C CB . ARG A 1 51 ? -17.806 5.565 -5.799 1.00 93.81 51 A 1 ATOM 426 C CG . ARG A 1 51 ? -17.983 5.820 -7.309 1.00 91.17 51 A 1 ATOM 427 C CD . ARG A 1 51 ? -17.739 4.556 -8.138 1.00 89.42 51 A 1 ATOM 428 N NE . ARG A 1 51 ? -16.318 4.171 -8.200 1.00 83.74 51 A 1 ATOM 429 C CZ . ARG A 1 51 ? -15.848 2.937 -8.206 1.00 79.73 51 A 1 ATOM 430 N NH1 . ARG A 1 51 ? -16.607 1.894 -8.063 1.00 74.51 51 A 1 ATOM 431 N NH2 . ARG A 1 51 ? -14.586 2.714 -8.379 1.00 71.04 51 A 1 ATOM 432 N N . TYR A 1 52 ? -17.116 6.736 -2.767 1.00 95.30 52 A 1 ATOM 433 C CA . TYR A 1 52 ? -16.913 6.327 -1.380 1.00 95.09 52 A 1 ATOM 434 C C . TYR A 1 52 ? -16.422 7.484 -0.509 1.00 95.08 52 A 1 ATOM 435 O O . TYR A 1 52 ? -15.643 8.344 -0.930 1.00 93.96 52 A 1 ATOM 436 C CB . TYR A 1 52 ? -15.930 5.154 -1.320 1.00 95.36 52 A 1 ATOM 437 C CG . TYR A 1 52 ? -16.390 3.932 -2.091 1.00 95.75 52 A 1 ATOM 438 C CD1 . TYR A 1 52 ? -17.338 3.061 -1.520 1.00 93.69 52 A 1 ATOM 439 C CD2 . TYR A 1 52 ? -15.913 3.695 -3.397 1.00 94.27 52 A 1 ATOM 440 C CE1 . TYR A 1 52 ? -17.825 1.965 -2.255 1.00 93.34 52 A 1 ATOM 441 C CE2 . TYR A 1 52 ? -16.399 2.596 -4.135 1.00 93.65 52 A 1 ATOM 442 C CZ . TYR A 1 52 ? -17.363 1.738 -3.564 1.00 94.32 52 A 1 ATOM 443 O OH . TYR A 1 52 ? -17.867 0.692 -4.276 1.00 92.76 52 A 1 ATOM 444 N N . SER A 1 53 ? -16.827 7.488 0.740 1.00 95.77 53 A 1 ATOM 445 C CA . SER A 1 53 ? -16.347 8.463 1.710 1.00 95.42 53 A 1 ATOM 446 C C . SER A 1 53 ? -14.981 8.068 2.288 1.00 95.32 53 A 1 ATOM 447 O O . SER A 1 53 ? -14.579 6.908 2.307 1.00 95.00 53 A 1 ATOM 448 C CB . SER A 1 53 ? -17.392 8.660 2.813 1.00 95.23 53 A 1 ATOM 449 O OG . SER A 1 53 ? -17.367 7.593 3.738 1.00 92.03 53 A 1 ATOM 450 N N . ASN A 1 54 ? -14.279 9.049 2.865 1.00 95.05 54 A 1 ATOM 451 C CA . ASN A 1 54 ? -13.062 8.762 3.638 1.00 94.44 54 A 1 ATOM 452 C C . ASN A 1 54 ? -13.311 7.779 4.796 1.00 95.26 54 A 1 ATOM 453 O O . ASN A 1 54 ? -12.399 7.063 5.199 1.00 95.24 54 A 1 ATOM 454 C CB . ASN A 1 54 ? -12.498 10.077 4.200 1.00 92.51 54 A 1 ATOM 455 C CG . ASN A 1 54 ? -11.803 10.927 3.156 1.00 82.40 54 A 1 ATOM 456 O OD1 . ASN A 1 54 ? -11.165 10.447 2.242 1.00 75.90 54 A 1 ATOM 457 N ND2 . ASN A 1 54 ? -11.870 12.230 3.285 1.00 72.66 54 A 1 ATOM 458 N N . ARG A 1 55 ? -14.530 7.763 5.322 1.00 94.50 55 A 1 ATOM 459 C CA . ARG A 1 55 ? -14.919 6.838 6.381 1.00 95.30 55 A 1 ATOM 460 C C . ARG A 1 55 ? -14.919 5.394 5.885 1.00 95.85 55 A 1 ATOM 461 O O . ARG A 1 55 ? -14.359 4.555 6.574 1.00 95.69 55 A 1 ATOM 462 C CB . ARG A 1 55 ? -16.278 7.267 6.951 1.00 95.52 55 A 1 ATOM 463 C CG . ARG A 1 55 ? -16.707 6.348 8.091 1.00 87.48 55 A 1 ATOM 464 C CD . ARG A 1 55 ? -18.051 6.798 8.662 1.00 83.58 55 A 1 ATOM 465 N NE . ARG A 1 55 ? -18.490 5.811 9.640 1.00 72.57 55 A 1 ATOM 466 C CZ . ARG A 1 55 ? -19.465 5.894 10.506 1.00 63.80 55 A 1 ATOM 467 N NH1 . ARG A 1 55 ? -20.229 6.956 10.604 1.00 58.41 55 A 1 ATOM 468 N NH2 . ARG A 1 55 ? -19.670 4.872 11.290 1.00 55.11 55 A 1 ATOM 469 N N . ASP A 1 56 ? -15.447 5.137 4.689 1.00 95.91 56 A 1 ATOM 470 C CA . ASP A 1 56 ? -15.481 3.790 4.101 1.00 96.09 56 A 1 ATOM 471 C C . ASP A 1 56 ? -14.062 3.230 3.921 1.00 96.74 56 A 1 ATOM 472 O O . ASP A 1 56 ? -13.780 2.082 4.266 1.00 96.64 56 A 1 ATOM 473 C CB . ASP A 1 56 ? -16.217 3.825 2.749 1.00 95.98 56 A 1 ATOM 474 C CG . ASP A 1 56 ? -17.627 4.416 2.860 1.00 95.22 56 A 1 ATOM 475 O OD1 . ASP A 1 56 ? -18.414 3.940 3.698 1.00 92.25 56 A 1 ATOM 476 O OD2 . ASP A 1 56 ? -17.872 5.436 2.174 1.00 92.22 56 A 1 ATOM 477 N N . LEU A 1 57 ? -13.129 4.069 3.459 1.00 95.68 57 A 1 ATOM 478 C CA . LEU A 1 57 ? -11.721 3.680 3.332 1.00 95.50 57 A 1 ATOM 479 C C . LEU A 1 57 ? -11.068 3.383 4.695 1.00 95.87 57 A 1 ATOM 480 O O . LEU A 1 57 ? -10.272 2.449 4.814 1.00 95.99 57 A 1 ATOM 481 C CB . LEU A 1 57 ? -10.969 4.793 2.582 1.00 95.04 57 A 1 ATOM 482 C CG . LEU A 1 57 ? -9.464 4.521 2.390 1.00 92.52 57 A 1 ATOM 483 C CD1 . LEU A 1 57 ? -9.193 3.278 1.547 1.00 89.44 57 A 1 ATOM 484 C CD2 . LEU A 1 57 ? -8.812 5.725 1.700 1.00 90.02 57 A 1 ATOM 485 N N . ILE A 1 58 ? -11.379 4.178 5.726 1.00 95.29 58 A 1 ATOM 486 C CA . ILE A 1 58 ? -10.872 3.954 7.089 1.00 95.21 58 A 1 ATOM 487 C C . ILE A 1 58 ? -11.429 2.643 7.660 1.00 95.66 58 A 1 ATOM 488 O O . ILE A 1 58 ? -10.664 1.851 8.213 1.00 96.00 58 A 1 ATOM 489 C CB . ILE A 1 58 ? -11.197 5.171 7.989 1.00 95.23 58 A 1 ATOM 490 C CG1 . ILE A 1 58 ? -10.317 6.380 7.585 1.00 93.07 58 A 1 ATOM 491 C CG2 . ILE A 1 58 ? -10.982 4.852 9.483 1.00 93.07 58 A 1 ATOM 492 C CD1 . ILE A 1 58 ? -10.796 7.715 8.179 1.00 85.78 58 A 1 ATOM 493 N N . GLU A 1 59 ? -12.727 2.407 7.508 1.00 95.48 59 A 1 ATOM 494 C CA . GLU A 1 59 ? -13.379 1.169 7.956 1.00 95.58 59 A 1 ATOM 495 C C . GLU A 1 59 ? -12.795 -0.054 7.233 1.00 95.82 59 A 1 ATOM 496 O O . GLU A 1 59 ? -12.411 -1.029 7.886 1.00 96.01 59 A 1 ATOM 497 C CB . GLU A 1 59 ? -14.908 1.279 7.771 1.00 96.19 59 A 1 ATOM 498 C CG . GLU A 1 59 ? -15.537 2.247 8.804 1.00 90.58 59 A 1 ATOM 499 C CD . GLU A 1 59 ? -17.068 2.439 8.670 1.00 87.23 59 A 1 ATOM 500 O OE1 . GLU A 1 59 ? -17.628 3.254 9.462 1.00 78.40 59 A 1 ATOM 501 O OE2 . GLU A 1 59 ? -17.693 1.798 7.801 1.00 82.00 59 A 1 ATOM 502 N N . PHE A 1 60 ? -12.607 0.036 5.912 1.00 96.73 60 A 1 ATOM 503 C CA . PHE A 1 60 ? -11.909 -1.001 5.147 1.00 96.64 60 A 1 ATOM 504 C C . PHE A 1 60 ? -10.486 -1.249 5.662 1.00 96.89 60 A 1 ATOM 505 O O . PHE A 1 60 ? -10.090 -2.397 5.840 1.00 97.02 60 A 1 ATOM 506 C CB . PHE A 1 60 ? -11.875 -0.617 3.670 1.00 96.70 60 A 1 ATOM 507 C CG . PHE A 1 60 ? -10.962 -1.517 2.863 1.00 97.05 60 A 1 ATOM 508 C CD1 . PHE A 1 60 ? -9.663 -1.089 2.528 1.00 96.24 60 A 1 ATOM 509 C CD2 . PHE A 1 60 ? -11.378 -2.819 2.528 1.00 96.66 60 A 1 ATOM 510 C CE1 . PHE A 1 60 ? -8.791 -1.954 1.846 1.00 96.27 60 A 1 ATOM 511 C CE2 . PHE A 1 60 ? -10.508 -3.682 1.847 1.00 96.34 60 A 1 ATOM 512 C CZ . PHE A 1 60 ? -9.215 -3.250 1.502 1.00 96.73 60 A 1 ATOM 513 N N . LYS A 1 61 ? -9.715 -0.188 5.931 1.00 96.12 61 A 1 ATOM 514 C CA . LYS A 1 61 ? -8.352 -0.339 6.462 1.00 95.65 61 A 1 ATOM 515 C C . LYS A 1 61 ? -8.343 -1.081 7.803 1.00 95.66 61 A 1 ATOM 516 O O . LYS A 1 61 ? -7.470 -1.917 8.013 1.00 96.07 61 A 1 ATOM 517 C CB . LYS A 1 61 ? -7.662 1.032 6.536 1.00 95.51 61 A 1 ATOM 518 C CG . LYS A 1 61 ? -6.206 0.875 6.992 1.00 92.81 61 A 1 ATOM 519 C CD . LYS A 1 61 ? -5.415 2.186 6.954 1.00 90.02 61 A 1 ATOM 520 C CE . LYS A 1 61 ? -4.001 1.854 7.440 1.00 84.01 61 A 1 ATOM 521 N NZ . LYS A 1 61 ? -3.036 2.970 7.281 1.00 76.71 61 A 1 ATOM 522 N N . PHE A 1 62 ? -9.300 -0.799 8.689 1.00 95.30 62 A 1 ATOM 523 C CA . PHE A 1 62 ? -9.429 -1.549 9.942 1.00 95.15 62 A 1 ATOM 524 C C . PHE A 1 62 ? -9.768 -3.020 9.698 1.00 95.27 62 A 1 ATOM 525 O O . PHE A 1 62 ? -9.107 -3.878 10.282 1.00 95.18 62 A 1 ATOM 526 C CB . PHE A 1 62 ? -10.470 -0.899 10.865 1.00 95.30 62 A 1 ATOM 527 C CG . PHE A 1 62 ? -9.986 0.354 11.568 1.00 88.03 62 A 1 ATOM 528 C CD1 . PHE A 1 62 ? -8.877 0.287 12.435 1.00 80.41 62 A 1 ATOM 529 C CD2 . PHE A 1 62 ? -10.656 1.579 11.389 1.00 79.76 62 A 1 ATOM 530 C CE1 . PHE A 1 62 ? -8.432 1.439 13.105 1.00 73.94 62 A 1 ATOM 531 C CE2 . PHE A 1 62 ? -10.213 2.731 12.059 1.00 74.51 62 A 1 ATOM 532 C CZ . PHE A 1 62 ? -9.100 2.662 12.917 1.00 74.68 62 A 1 ATOM 533 N N . MET A 1 63 ? -10.704 -3.323 8.798 1.00 96.45 63 A 1 ATOM 534 C CA . MET A 1 63 ? -11.004 -4.712 8.426 1.00 96.27 63 A 1 ATOM 535 C C . MET A 1 63 ? -9.770 -5.420 7.857 1.00 96.36 63 A 1 ATOM 536 O O . MET A 1 63 ? -9.441 -6.519 8.293 1.00 96.05 63 A 1 ATOM 537 C CB . MET A 1 63 ? -12.151 -4.768 7.410 1.00 96.36 63 A 1 ATOM 538 C CG . MET A 1 63 ? -13.498 -4.324 8.003 1.00 88.97 63 A 1 ATOM 539 S SD . MET A 1 63 ? -14.922 -4.544 6.903 1.00 85.96 63 A 1 ATOM 540 C CE . MET A 1 63 ? -14.526 -3.407 5.557 1.00 72.58 63 A 1 ATOM 541 N N . LEU A 1 64 ? -9.048 -4.770 6.942 1.00 95.80 64 A 1 ATOM 542 C CA . LEU A 1 64 ? -7.821 -5.322 6.354 1.00 95.49 64 A 1 ATOM 543 C C . LEU A 1 64 ? -6.775 -5.659 7.425 1.00 95.50 64 A 1 ATOM 544 O O . LEU A 1 64 ? -6.151 -6.715 7.358 1.00 95.44 64 A 1 ATOM 545 C CB . LEU A 1 64 ? -7.280 -4.314 5.325 1.00 95.56 64 A 1 ATOM 546 C CG . LEU A 1 64 ? -5.985 -4.766 4.617 1.00 94.72 64 A 1 ATOM 547 C CD1 . LEU A 1 64 ? -6.192 -6.037 3.796 1.00 92.71 64 A 1 ATOM 548 C CD2 . LEU A 1 64 ? -5.502 -3.655 3.684 1.00 92.84 64 A 1 ATOM 549 N N . ILE A 1 65 ? -6.598 -4.778 8.418 1.00 95.18 65 A 1 ATOM 550 C CA . ILE A 1 65 ? -5.686 -5.026 9.545 1.00 94.73 65 A 1 ATOM 551 C C . ILE A 1 65 ? -6.116 -6.267 10.336 1.00 94.45 65 A 1 ATOM 552 O O . ILE A 1 65 ? -5.253 -7.079 10.675 1.00 94.22 65 A 1 ATOM 553 C CB . ILE A 1 65 ? -5.592 -3.773 10.450 1.00 94.93 65 A 1 ATOM 554 C CG1 . ILE A 1 65 ? -4.791 -2.659 9.736 1.00 94.41 65 A 1 ATOM 555 C CG2 . ILE A 1 65 ? -4.935 -4.090 11.811 1.00 94.18 65 A 1 ATOM 556 C CD1 . ILE A 1 65 ? -4.945 -1.274 10.372 1.00 91.03 65 A 1 ATOM 557 N N . GLU A 1 66 ? -7.403 -6.418 10.628 1.00 95.41 66 A 1 ATOM 558 C CA . GLU A 1 66 ? -7.895 -7.580 11.378 1.00 95.34 66 A 1 ATOM 559 C C . GLU A 1 66 ? -7.721 -8.882 10.580 1.00 95.44 66 A 1 ATOM 560 O O . GLU A 1 66 ? -7.131 -9.821 11.112 1.00 95.19 66 A 1 ATOM 561 C CB . GLU A 1 66 ? -9.342 -7.363 11.850 1.00 95.97 66 A 1 ATOM 562 C CG . GLU A 1 66 ? -9.504 -6.208 12.858 1.00 88.44 66 A 1 ATOM 563 C CD . GLU A 1 66 ? -8.567 -6.308 14.080 1.00 82.36 66 A 1 ATOM 564 O OE1 . GLU A 1 66 ? -7.699 -5.412 14.281 1.00 70.94 66 A 1 ATOM 565 O OE2 . GLU A 1 66 ? -8.648 -7.296 14.821 1.00 73.42 66 A 1 ATOM 566 N N . TYR A 1 67 ? -8.059 -8.897 9.288 1.00 94.95 67 A 1 ATOM 567 C CA . TYR A 1 67 ? -7.795 -10.065 8.431 1.00 94.27 67 A 1 ATOM 568 C C . TYR A 1 67 ? -6.301 -10.422 8.350 1.00 93.91 67 A 1 ATOM 569 O O . TYR A 1 67 ? -5.934 -11.596 8.389 1.00 93.15 67 A 1 ATOM 570 C CB . TYR A 1 67 ? -8.342 -9.813 7.018 1.00 94.56 67 A 1 ATOM 571 C CG . TYR A 1 67 ? -9.820 -10.127 6.861 1.00 93.50 67 A 1 ATOM 572 C CD1 . TYR A 1 67 ? -10.237 -11.472 6.794 1.00 89.45 67 A 1 ATOM 573 C CD2 . TYR A 1 67 ? -10.775 -9.099 6.781 1.00 89.93 67 A 1 ATOM 574 C CE1 . TYR A 1 67 ? -11.606 -11.783 6.661 1.00 88.09 67 A 1 ATOM 575 C CE2 . TYR A 1 67 ? -12.146 -9.402 6.650 1.00 88.91 67 A 1 ATOM 576 C CZ . TYR A 1 67 ? -12.562 -10.749 6.594 1.00 90.22 67 A 1 ATOM 577 O OH . TYR A 1 67 ? -13.887 -11.051 6.479 1.00 88.57 67 A 1 ATOM 578 N N . CYS A 1 68 ? -5.412 -9.422 8.262 1.00 94.59 68 A 1 ATOM 579 C CA . CYS A 1 68 ? -3.970 -9.678 8.282 1.00 93.47 68 A 1 ATOM 580 C C . CYS A 1 68 ? -3.510 -10.284 9.619 1.00 93.30 68 A 1 ATOM 581 O O . CYS A 1 68 ? -2.634 -11.147 9.625 1.00 93.55 68 A 1 ATOM 582 C CB . CYS A 1 68 ? -3.207 -8.377 7.994 1.00 93.10 68 A 1 ATOM 583 S SG . CYS A 1 68 ? -3.395 -7.859 6.260 1.00 89.26 68 A 1 ATOM 584 N N . LYS A 1 69 ? -4.081 -9.834 10.745 1.00 92.64 69 A 1 ATOM 585 C CA . LYS A 1 69 ? -3.768 -10.403 12.067 1.00 92.65 69 A 1 ATOM 586 C C . LYS A 1 69 ? -4.259 -11.840 12.203 1.00 93.07 69 A 1 ATOM 587 O O . LYS A 1 69 ? -3.504 -12.665 12.711 1.00 93.34 69 A 1 ATOM 588 C CB . LYS A 1 69 ? -4.410 -9.568 13.177 1.00 92.81 69 A 1 ATOM 589 C CG . LYS A 1 69 ? -3.726 -8.220 13.428 1.00 88.02 69 A 1 ATOM 590 C CD . LYS A 1 69 ? -4.632 -7.470 14.403 1.00 85.63 69 A 1 ATOM 591 C CE . LYS A 1 69 ? -4.157 -6.056 14.705 1.00 79.12 69 A 1 ATOM 592 N NZ . LYS A 1 69 ? -5.249 -5.358 15.429 1.00 72.91 69 A 1 ATOM 593 N N . GLU A 1 70 ? -5.477 -12.121 11.763 1.00 93.42 70 A 1 ATOM 594 C CA . GLU A 1 70 ? -6.033 -13.478 11.765 1.00 93.40 70 A 1 ATOM 595 C C . GLU A 1 70 ? -5.163 -14.411 10.914 1.00 93.39 70 A 1 ATOM 596 O O . GLU A 1 70 ? -4.683 -15.422 11.419 1.00 92.75 70 A 1 ATOM 597 C CB . GLU A 1 70 ? -7.489 -13.456 11.262 1.00 93.88 70 A 1 ATOM 598 C CG . GLU A 1 70 ? -8.453 -12.830 12.293 1.00 87.66 70 A 1 ATOM 599 C CD . GLU A 1 70 ? -9.910 -12.692 11.795 1.00 84.38 70 A 1 ATOM 600 O OE1 . GLU A 1 70 ? -10.741 -12.193 12.589 1.00 75.14 70 A 1 ATOM 601 O OE2 . GLU A 1 70 ? -10.198 -13.052 10.630 1.00 76.41 70 A 1 ATOM 602 N N . ALA A 1 71 ? -4.832 -14.003 9.683 1.00 94.24 71 A 1 ATOM 603 C CA . ALA A 1 71 ? -3.956 -14.787 8.812 1.00 93.01 71 A 1 ATOM 604 C C . ALA A 1 71 ? -2.561 -15.026 9.418 1.00 92.73 71 A 1 ATOM 605 O O . ALA A 1 71 ? -2.008 -16.120 9.307 1.00 91.95 71 A 1 ATOM 606 C CB . ALA A 1 71 ? -3.863 -14.066 7.459 1.00 92.76 71 A 1 ATOM 607 N N . LEU A 1 72 ? -1.970 -14.015 10.082 1.00 92.49 72 A 1 ATOM 608 C CA . LEU A 1 72 ? -0.699 -14.198 10.797 1.00 91.93 72 A 1 ATOM 609 C C . LEU A 1 72 ? -0.825 -15.180 11.962 1.00 91.69 72 A 1 ATOM 610 O O . LEU A 1 72 ? 0.110 -15.940 12.216 1.00 91.11 72 A 1 ATOM 611 C CB . LEU A 1 72 ? -0.184 -12.848 11.331 1.00 91.58 72 A 1 ATOM 612 C CG . LEU A 1 72 ? 0.531 -11.985 10.286 1.00 85.66 72 A 1 ATOM 613 C CD1 . LEU A 1 72 ? 0.812 -10.601 10.880 1.00 82.85 72 A 1 ATOM 614 C CD2 . LEU A 1 72 ? 1.865 -12.597 9.861 1.00 83.72 72 A 1 ATOM 615 N N . GLN A 1 73 ? -1.945 -15.141 12.676 1.00 92.13 73 A 1 ATOM 616 C CA . GLN A 1 73 ? -2.205 -16.072 13.766 1.00 92.21 73 A 1 ATOM 617 C C . GLN A 1 73 ? -2.335 -17.509 13.242 1.00 92.23 73 A 1 ATOM 618 O O . GLN A 1 73 ? -1.686 -18.392 13.792 1.00 91.76 73 A 1 ATOM 619 C CB . GLN A 1 73 ? -3.443 -15.601 14.549 1.00 92.62 73 A 1 ATOM 620 C CG . GLN A 1 73 ? -3.751 -16.483 15.762 1.00 84.65 73 A 1 ATOM 621 C CD . GLN A 1 73 ? -2.649 -16.513 16.817 1.00 80.01 73 A 1 ATOM 622 O OE1 . GLN A 1 73 ? -1.821 -15.622 16.989 1.00 74.17 73 A 1 ATOM 623 N NE2 . GLN A 1 73 ? -2.609 -17.568 17.603 1.00 70.32 73 A 1 ATOM 624 N N . ASP A 1 74 ? -3.061 -17.717 12.140 1.00 92.67 74 A 1 ATOM 625 C CA . ASP A 1 74 ? -3.204 -19.031 11.501 1.00 91.88 74 A 1 ATOM 626 C C . ASP A 1 74 ? -1.845 -19.586 11.037 1.00 91.79 74 A 1 ATOM 627 O O . ASP A 1 74 ? -1.503 -20.737 11.307 1.00 90.70 74 A 1 ATOM 628 C CB . ASP A 1 74 ? -4.160 -18.928 10.300 1.00 91.84 74 A 1 ATOM 629 C CG . ASP A 1 74 ? -5.628 -18.627 10.647 1.00 89.35 74 A 1 ATOM 630 O OD1 . ASP A 1 74 ? -6.013 -18.762 11.826 1.00 86.39 74 A 1 ATOM 631 O OD2 . ASP A 1 74 ? -6.368 -18.303 9.686 1.00 86.09 74 A 1 ATOM 632 N N . ILE A 1 75 ? -1.026 -18.748 10.388 1.00 90.41 75 A 1 ATOM 633 C CA . ILE A 1 75 ? 0.335 -19.129 9.960 1.00 89.04 75 A 1 ATOM 634 C C . ILE A 1 75 ? 1.193 -19.510 11.172 1.00 89.03 75 A 1 ATOM 635 O O . ILE A 1 75 ? 1.908 -20.515 11.143 1.00 88.42 75 A 1 ATOM 636 C CB . ILE A 1 75 ? 0.993 -17.983 9.151 1.00 88.55 75 A 1 ATOM 637 C CG1 . ILE A 1 75 ? 0.271 -17.784 7.796 1.00 86.53 75 A 1 ATOM 638 C CG2 . ILE A 1 75 ? 2.487 -18.258 8.886 1.00 86.33 75 A 1 ATOM 639 C CD1 . ILE A 1 75 ? 0.591 -16.441 7.128 1.00 81.57 75 A 1 ATOM 640 N N . LYS A 1 76 ? 1.113 -18.726 12.249 1.00 89.27 76 A 1 ATOM 641 C CA . LYS A 1 76 ? 1.842 -19.002 13.486 1.00 88.90 76 A 1 ATOM 642 C C . LYS A 1 76 ? 1.386 -20.303 14.147 1.00 88.91 76 A 1 ATOM 643 O O . LYS A 1 76 ? 2.216 -21.048 14.664 1.00 88.40 76 A 1 ATOM 644 C CB . LYS A 1 76 ? 1.670 -17.805 14.417 1.00 88.90 76 A 1 ATOM 645 C CG . LYS A 1 76 ? 2.465 -18.005 15.703 1.00 83.67 76 A 1 ATOM 646 C CD . LYS A 1 76 ? 2.328 -16.773 16.581 1.00 81.43 76 A 1 ATOM 647 C CE . LYS A 1 76 ? 3.174 -17.020 17.822 1.00 73.71 76 A 1 ATOM 648 N NZ . LYS A 1 76 ? 3.052 -15.881 18.749 1.00 66.80 76 A 1 ATOM 649 N N . GLU A 1 77 ? 0.091 -20.566 14.183 1.00 90.59 77 A 1 ATOM 650 C CA . GLU A 1 77 ? -0.452 -21.810 14.730 1.00 90.67 77 A 1 ATOM 651 C C . GLU A 1 77 ? -0.000 -23.018 13.911 1.00 90.20 77 A 1 ATOM 652 O O . GLU A 1 77 ? 0.457 -24.000 14.493 1.00 88.06 77 A 1 ATOM 653 C CB . GLU A 1 77 ? -1.982 -21.725 14.827 1.00 91.35 77 A 1 ATOM 654 C CG . GLU A 1 77 ? -2.387 -20.837 16.013 1.00 88.96 77 A 1 ATOM 655 C CD . GLU A 1 77 ? -3.905 -20.655 16.183 1.00 86.31 77 A 1 ATOM 656 O OE1 . GLU A 1 77 ? -4.259 -19.750 16.976 1.00 79.20 77 A 1 ATOM 657 O OE2 . GLU A 1 77 ? -4.687 -21.442 15.602 1.00 80.22 77 A 1 ATOM 658 N N . LEU A 1 78 ? -0.032 -22.906 12.583 1.00 89.61 78 A 1 ATOM 659 C CA . LEU A 1 78 ? 0.492 -23.933 11.686 1.00 87.94 78 A 1 ATOM 660 C C . LEU A 1 78 ? 1.983 -24.189 11.933 1.00 87.75 78 A 1 ATOM 661 O O . LEU A 1 78 ? 2.376 -25.337 12.119 1.00 86.53 78 A 1 ATOM 662 C CB . LEU A 1 78 ? 0.209 -23.516 10.232 1.00 87.02 78 A 1 ATOM 663 C CG . LEU A 1 78 ? 0.677 -24.549 9.188 1.00 79.22 78 A 1 ATOM 664 C CD1 . LEU A 1 78 ? -0.080 -25.873 9.310 1.00 74.64 78 A 1 ATOM 665 C CD2 . LEU A 1 78 ? 0.444 -23.992 7.782 1.00 74.70 78 A 1 ATOM 666 N N . ALA A 1 79 ? 2.802 -23.124 12.025 1.00 86.82 79 A 1 ATOM 667 C CA . ALA A 1 79 ? 4.242 -23.234 12.267 1.00 85.31 79 A 1 ATOM 668 C C . ALA A 1 79 ? 4.598 -23.908 13.606 1.00 86.25 79 A 1 ATOM 669 O O . ALA A 1 79 ? 5.696 -24.446 13.753 1.00 85.03 79 A 1 ATOM 670 C CB . ALA A 1 79 ? 4.850 -21.827 12.183 1.00 84.91 79 A 1 ATOM 671 N N . ASN A 1 80 ? 3.683 -23.885 14.586 1.00 88.09 80 A 1 ATOM 672 C CA . ASN A 1 80 ? 3.858 -24.527 15.896 1.00 88.66 80 A 1 ATOM 673 C C . ASN A 1 80 ? 3.126 -25.882 16.023 1.00 89.46 80 A 1 ATOM 674 O O . ASN A 1 80 ? 3.074 -26.443 17.120 1.00 86.76 80 A 1 ATOM 675 C CB . ASN A 1 80 ? 3.427 -23.538 16.994 1.00 87.81 80 A 1 ATOM 676 C CG . ASN A 1 80 ? 4.365 -22.355 17.141 1.00 84.42 80 A 1 ATOM 677 O OD1 . ASN A 1 80 ? 5.474 -22.460 17.634 1.00 77.44 80 A 1 ATOM 678 N ND2 . ASN A 1 80 ? 3.940 -21.171 16.783 1.00 76.28 80 A 1 ATOM 679 N N . SER A 1 81 ? 2.521 -26.373 14.945 1.00 87.39 81 A 1 ATOM 680 C CA . SER A 1 81 ? 1.767 -27.629 14.939 1.00 87.59 81 A 1 ATOM 681 C C . SER A 1 81 ? 2.641 -28.835 14.572 1.00 88.03 81 A 1 ATOM 682 O O . SER A 1 81 ? 3.757 -28.691 14.081 1.00 87.10 81 A 1 ATOM 683 C CB . SER A 1 81 ? 0.560 -27.504 14.003 1.00 86.58 81 A 1 ATOM 684 O OG . SER A 1 81 ? 0.958 -27.623 12.650 1.00 84.82 81 A 1 ATOM 685 N N . ASP A 1 82 ? 2.099 -30.036 14.762 1.00 86.52 82 A 1 ATOM 686 C CA . ASP A 1 82 ? 2.738 -31.283 14.311 1.00 87.72 82 A 1 ATOM 687 C C . ASP A 1 82 ? 2.805 -31.402 12.774 1.00 88.68 82 A 1 ATOM 688 O O . ASP A 1 82 ? 3.474 -32.292 12.249 1.00 85.10 82 A 1 ATOM 689 C CB . ASP A 1 82 ? 1.981 -32.491 14.898 1.00 87.42 82 A 1 ATOM 690 C CG . ASP A 1 82 ? 2.042 -32.620 16.425 1.00 82.04 82 A 1 ATOM 691 O OD1 . ASP A 1 82 ? 3.076 -32.259 17.026 1.00 76.56 82 A 1 ATOM 692 O OD2 . ASP A 1 82 ? 1.058 -33.152 16.994 1.00 77.19 82 A 1 ATOM 693 N N . GLU A 1 83 ? 2.093 -30.524 12.051 1.00 85.44 83 A 1 ATOM 694 C CA . GLU A 1 83 ? 2.072 -30.442 10.586 1.00 85.88 83 A 1 ATOM 695 C C . GLU A 1 83 ? 3.079 -29.416 10.029 1.00 86.27 83 A 1 ATOM 696 O O . GLU A 1 83 ? 3.153 -29.229 8.813 1.00 82.26 83 A 1 ATOM 697 C CB . GLU A 1 83 ? 0.645 -30.139 10.084 1.00 84.80 83 A 1 ATOM 698 C CG . GLU A 1 83 ? -0.387 -31.209 10.499 1.00 78.44 83 A 1 ATOM 699 C CD . GLU A 1 83 ? -1.792 -31.005 9.896 1.00 73.64 83 A 1 ATOM 700 O OE1 . GLU A 1 83 ? -2.650 -31.889 10.145 1.00 66.26 83 A 1 ATOM 701 O OE2 . GLU A 1 83 ? -2.016 -30.014 9.169 1.00 67.03 83 A 1 ATOM 702 N N . ALA A 1 84 ? 3.849 -28.747 10.908 1.00 84.75 84 A 1 ATOM 703 C CA . ALA A 1 84 ? 4.788 -27.707 10.517 1.00 84.04 84 A 1 ATOM 704 C C . ALA A 1 84 ? 5.903 -28.242 9.610 1.00 84.44 84 A 1 ATOM 705 O O . ALA A 1 84 ? 6.522 -29.277 9.874 1.00 82.40 84 A 1 ATOM 706 C CB . ALA A 1 84 ? 5.385 -27.052 11.768 1.00 80.85 84 A 1 ATOM 707 N N . TYR A 1 85 ? 6.216 -27.461 8.583 1.00 86.33 85 A 1 ATOM 708 C CA . TYR A 1 85 ? 7.430 -27.641 7.799 1.00 86.49 85 A 1 ATOM 709 C C . TYR A 1 85 ? 8.587 -26.827 8.394 1.00 87.24 85 A 1 ATOM 710 O O . TYR A 1 85 ? 8.401 -25.799 9.038 1.00 85.21 85 A 1 ATOM 711 C CB . TYR A 1 85 ? 7.177 -27.270 6.330 1.00 85.28 85 A 1 ATOM 712 C CG . TYR A 1 85 ? 6.140 -28.135 5.635 1.00 79.84 85 A 1 ATOM 713 C CD1 . TYR A 1 85 ? 6.505 -29.398 5.121 1.00 73.96 85 A 1 ATOM 714 C CD2 . TYR A 1 85 ? 4.810 -27.693 5.516 1.00 73.24 85 A 1 ATOM 715 C CE1 . TYR A 1 85 ? 5.544 -30.216 4.493 1.00 68.65 85 A 1 ATOM 716 C CE2 . TYR A 1 85 ? 3.841 -28.509 4.890 1.00 68.39 85 A 1 ATOM 717 C CZ . TYR A 1 85 ? 4.210 -29.773 4.378 1.00 69.51 85 A 1 ATOM 718 O OH . TYR A 1 85 ? 3.276 -30.568 3.780 1.00 67.52 85 A 1 ATOM 719 N N . GLU A 1 86 ? 9.816 -27.241 8.107 1.00 87.32 86 A 1 ATOM 720 C CA . GLU A 1 86 ? 11.043 -26.559 8.570 1.00 87.91 86 A 1 ATOM 721 C C . GLU A 1 86 ? 11.080 -25.060 8.193 1.00 89.15 86 A 1 ATOM 722 O O . GLU A 1 86 ? 11.726 -24.254 8.860 1.00 87.00 86 A 1 ATOM 723 C CB . GLU A 1 86 ? 12.247 -27.310 7.962 1.00 85.97 86 A 1 ATOM 724 C CG . GLU A 1 86 ? 13.616 -26.830 8.479 1.00 75.49 86 A 1 ATOM 725 C CD . GLU A 1 86 ? 14.811 -27.599 7.871 1.00 71.53 86 A 1 ATOM 726 O OE1 . GLU A 1 86 ? 15.961 -27.294 8.269 1.00 64.63 86 A 1 ATOM 727 O OE2 . GLU A 1 86 ? 14.592 -28.482 7.008 1.00 66.01 86 A 1 ATOM 728 N N . THR A 1 87 ? 10.366 -24.661 7.131 1.00 89.84 87 A 1 ATOM 729 C CA . THR A 1 87 ? 10.326 -23.278 6.637 1.00 90.42 87 A 1 ATOM 730 C C . THR A 1 87 ? 9.220 -22.417 7.245 1.00 90.71 87 A 1 ATOM 731 O O . THR A 1 87 ? 9.270 -21.201 7.066 1.00 89.33 87 A 1 ATOM 732 C CB . THR A 1 87 ? 10.209 -23.264 5.109 1.00 89.76 87 A 1 ATOM 733 O OG1 . THR A 1 87 ? 9.127 -24.058 4.675 1.00 87.26 87 A 1 ATOM 734 C CG2 . THR A 1 87 ? 11.469 -23.830 4.446 1.00 85.12 87 A 1 ATOM 735 N N . ASP A 1 88 ? 8.238 -22.969 7.955 1.00 88.45 88 A 1 ATOM 736 C CA . ASP A 1 88 ? 7.010 -22.246 8.328 1.00 88.09 88 A 1 ATOM 737 C C . ASP A 1 88 ? 7.273 -21.096 9.306 1.00 89.24 88 A 1 ATOM 738 O O . ASP A 1 88 ? 6.736 -20.005 9.128 1.00 89.36 88 A 1 ATOM 739 C CB . ASP A 1 88 ? 5.969 -23.227 8.883 1.00 86.63 88 A 1 ATOM 740 C CG . ASP A 1 88 ? 5.369 -24.144 7.809 1.00 83.66 88 A 1 ATOM 741 O OD1 . ASP A 1 88 ? 5.595 -23.887 6.602 1.00 80.35 88 A 1 ATOM 742 O OD2 . ASP A 1 88 ? 4.711 -25.129 8.198 1.00 80.09 88 A 1 ATOM 743 N N . GLU A 1 89 ? 8.178 -21.280 10.268 1.00 88.47 89 A 1 ATOM 744 C CA . GLU A 1 89 ? 8.596 -20.202 11.179 1.00 89.19 89 A 1 ATOM 745 C C . GLU A 1 89 ? 9.259 -19.032 10.422 1.00 90.54 89 A 1 ATOM 746 O O . GLU A 1 89 ? 9.003 -17.858 10.700 1.00 89.81 89 A 1 ATOM 747 C CB . GLU A 1 89 ? 9.547 -20.787 12.243 1.00 87.64 89 A 1 ATOM 748 C CG . GLU A 1 89 ? 9.870 -19.784 13.366 1.00 79.07 89 A 1 ATOM 749 C CD . GLU A 1 89 ? 10.840 -20.321 14.435 1.00 76.74 89 A 1 ATOM 750 O OE1 . GLU A 1 89 ? 11.101 -19.566 15.406 1.00 69.46 89 A 1 ATOM 751 O OE2 . GLU A 1 89 ? 11.368 -21.444 14.284 1.00 71.00 89 A 1 ATOM 752 N N . ALA A 1 90 ? 10.083 -19.336 9.415 1.00 92.03 90 A 1 ATOM 753 C CA . ALA A 1 90 ? 10.692 -18.302 8.574 1.00 92.92 90 A 1 ATOM 754 C C . ALA A 1 90 ? 9.643 -17.591 7.704 1.00 93.37 90 A 1 ATOM 755 O O . ALA A 1 90 ? 9.706 -16.372 7.530 1.00 92.76 90 A 1 ATOM 756 C CB . ALA A 1 90 ? 11.804 -18.939 7.727 1.00 92.90 90 A 1 ATOM 757 N N . PHE A 1 91 ? 8.644 -18.321 7.192 1.00 90.33 91 A 1 ATOM 758 C CA . PHE A 1 91 ? 7.545 -17.740 6.424 1.00 90.07 91 A 1 ATOM 759 C C . PHE A 1 91 ? 6.599 -16.902 7.286 1.00 90.28 91 A 1 ATOM 760 O O . PHE A 1 91 ? 6.113 -15.889 6.787 1.00 89.60 91 A 1 ATOM 761 C CB . PHE A 1 91 ? 6.817 -18.824 5.625 1.00 89.44 91 A 1 ATOM 762 C CG . PHE A 1 91 ? 7.402 -19.006 4.238 1.00 88.31 91 A 1 ATOM 763 C CD1 . PHE A 1 91 ? 6.976 -18.180 3.183 1.00 85.31 91 A 1 ATOM 764 C CD2 . PHE A 1 91 ? 8.395 -19.973 3.997 1.00 85.26 91 A 1 ATOM 765 C CE1 . PHE A 1 91 ? 7.535 -18.328 1.899 1.00 83.41 91 A 1 ATOM 766 C CE2 . PHE A 1 91 ? 8.957 -20.121 2.718 1.00 83.17 91 A 1 ATOM 767 C CZ . PHE A 1 91 ? 8.523 -19.298 1.668 1.00 84.23 91 A 1 ATOM 768 N N . GLU A 1 92 ? 6.404 -17.204 8.568 1.00 90.60 92 A 1 ATOM 769 C CA . GLU A 1 92 ? 5.674 -16.315 9.489 1.00 90.50 92 A 1 ATOM 770 C C . GLU A 1 92 ? 6.301 -14.907 9.504 1.00 91.28 92 A 1 ATOM 771 O O . GLU A 1 92 ? 5.607 -13.897 9.361 1.00 91.72 92 A 1 ATOM 772 C CB . GLU A 1 92 ? 5.654 -16.897 10.920 1.00 89.67 92 A 1 ATOM 773 C CG . GLU A 1 92 ? 4.704 -16.113 11.848 1.00 83.51 92 A 1 ATOM 774 C CD . GLU A 1 92 ? 5.054 -16.189 13.339 1.00 80.53 92 A 1 ATOM 775 O OE1 . GLU A 1 92 ? 4.899 -15.136 14.025 1.00 72.23 92 A 1 ATOM 776 O OE2 . GLU A 1 92 ? 5.466 -17.256 13.832 1.00 72.76 92 A 1 ATOM 777 N N . ALA A 1 93 ? 7.638 -14.836 9.623 1.00 91.96 93 A 1 ATOM 778 C CA . ALA A 1 93 ? 8.360 -13.562 9.597 1.00 92.37 93 A 1 ATOM 779 C C . ALA A 1 93 ? 8.219 -12.838 8.243 1.00 93.48 93 A 1 ATOM 780 O O . ALA A 1 93 ? 8.022 -11.622 8.210 1.00 93.31 93 A 1 ATOM 781 C CB . ALA A 1 93 ? 9.829 -13.820 9.953 1.00 92.04 93 A 1 ATOM 782 N N . VAL A 1 94 ? 8.254 -13.573 7.133 1.00 93.60 94 A 1 ATOM 783 C CA . VAL A 1 94 ? 8.042 -13.018 5.785 1.00 94.14 94 A 1 ATOM 784 C C . VAL A 1 94 ? 6.632 -12.441 5.647 1.00 94.40 94 A 1 ATOM 785 O O . VAL A 1 94 ? 6.487 -11.294 5.229 1.00 94.27 94 A 1 ATOM 786 C CB . VAL A 1 94 ? 8.319 -14.078 4.700 1.00 94.08 94 A 1 ATOM 787 C CG1 . VAL A 1 94 ? 7.918 -13.603 3.297 1.00 92.23 94 A 1 ATOM 788 C CG2 . VAL A 1 94 ? 9.811 -14.433 4.643 1.00 92.29 94 A 1 ATOM 789 N N . PHE A 1 95 ? 5.583 -13.171 6.026 1.00 93.59 95 A 1 ATOM 790 C CA . PHE A 1 95 ? 4.202 -12.688 5.933 1.00 92.85 95 A 1 ATOM 791 C C . PHE A 1 95 ? 3.943 -11.493 6.842 1.00 93.18 95 A 1 ATOM 792 O O . PHE A 1 95 ? 3.267 -10.548 6.431 1.00 93.10 95 A 1 ATOM 793 C CB . PHE A 1 95 ? 3.221 -13.826 6.237 1.00 91.55 95 A 1 ATOM 794 C CG . PHE A 1 95 ? 2.938 -14.704 5.038 1.00 86.54 95 A 1 ATOM 795 C CD1 . PHE A 1 95 ? 2.150 -14.204 3.983 1.00 81.21 95 A 1 ATOM 796 C CD2 . PHE A 1 95 ? 3.446 -16.010 4.966 1.00 81.68 95 A 1 ATOM 797 C CE1 . PHE A 1 95 ? 1.879 -15.007 2.863 1.00 78.44 95 A 1 ATOM 798 C CE2 . PHE A 1 95 ? 3.178 -16.814 3.848 1.00 78.71 95 A 1 ATOM 799 C CZ . PHE A 1 95 ? 2.392 -16.314 2.796 1.00 79.72 95 A 1 ATOM 800 N N . ARG A 1 96 ? 4.533 -11.471 8.034 1.00 92.83 96 A 1 ATOM 801 C CA . ARG A 1 96 ? 4.486 -10.302 8.916 1.00 92.92 96 A 1 ATOM 802 C C . ARG A 1 96 ? 5.018 -9.053 8.210 1.00 93.40 96 A 1 ATOM 803 O O . ARG A 1 96 ? 4.328 -8.036 8.185 1.00 93.66 96 A 1 ATOM 804 C CB . ARG A 1 96 ? 5.264 -10.625 10.198 1.00 92.78 96 A 1 ATOM 805 C CG . ARG A 1 96 ? 5.202 -9.503 11.230 1.00 87.05 96 A 1 ATOM 806 C CD . ARG A 1 96 ? 6.096 -9.832 12.437 1.00 85.24 96 A 1 ATOM 807 N NE . ARG A 1 96 ? 5.693 -11.099 13.106 1.00 75.98 96 A 1 ATOM 808 C CZ . ARG A 1 96 ? 4.907 -11.235 14.148 1.00 69.12 96 A 1 ATOM 809 N NH1 . ARG A 1 96 ? 4.412 -10.199 14.770 1.00 62.16 96 A 1 ATOM 810 N NH2 . ARG A 1 96 ? 4.601 -12.429 14.592 1.00 58.84 96 A 1 ATOM 811 N N . GLN A 1 97 ? 6.196 -9.140 7.597 1.00 94.26 97 A 1 ATOM 812 C CA . GLN A 1 97 ? 6.775 -8.026 6.850 1.00 94.17 97 A 1 ATOM 813 C C . GLN A 1 97 ? 5.884 -7.612 5.666 1.00 94.34 97 A 1 ATOM 814 O O . GLN A 1 97 ? 5.624 -6.420 5.485 1.00 94.33 97 A 1 ATOM 815 C CB . GLN A 1 97 ? 8.192 -8.404 6.386 1.00 94.98 97 A 1 ATOM 816 C CG . GLN A 1 97 ? 8.830 -7.231 5.623 1.00 88.57 97 A 1 ATOM 817 C CD . GLN A 1 97 ? 10.227 -7.515 5.092 1.00 82.51 97 A 1 ATOM 818 O OE1 . GLN A 1 97 ? 10.935 -8.421 5.497 1.00 75.71 97 A 1 ATOM 819 N NE2 . GLN A 1 97 ? 10.669 -6.708 4.150 1.00 70.17 97 A 1 ATOM 820 N N . LEU A 1 98 ? 5.366 -8.561 4.883 1.00 93.60 98 A 1 ATOM 821 C CA . LEU A 1 98 ? 4.483 -8.271 3.747 1.00 92.87 98 A 1 ATOM 822 C C . LEU A 1 98 ? 3.213 -7.534 4.183 1.00 92.85 98 A 1 ATOM 823 O O . LEU A 1 98 ? 2.819 -6.556 3.548 1.00 92.93 98 A 1 ATOM 824 C CB . LEU A 1 98 ? 4.110 -9.580 3.031 1.00 93.38 98 A 1 ATOM 825 C CG . LEU A 1 98 ? 5.258 -10.243 2.247 1.00 90.72 98 A 1 ATOM 826 C CD1 . LEU A 1 98 ? 4.780 -11.594 1.714 1.00 88.70 98 A 1 ATOM 827 C CD2 . LEU A 1 98 ? 5.716 -9.396 1.060 1.00 89.46 98 A 1 ATOM 828 N N . PHE A 1 99 ? 2.579 -7.945 5.274 1.00 94.12 99 A 1 ATOM 829 C CA . PHE A 1 99 ? 1.382 -7.281 5.788 1.00 93.48 99 A 1 ATOM 830 C C . PHE A 1 99 ? 1.684 -5.884 6.334 1.00 93.74 99 A 1 ATOM 831 O O . PHE A 1 99 ? 0.916 -4.953 6.080 1.00 93.79 99 A 1 ATOM 832 C CB . PHE A 1 99 ? 0.704 -8.162 6.844 1.00 92.26 99 A 1 ATOM 833 C CG . PHE A 1 99 ? 0.129 -9.482 6.349 1.00 83.86 99 A 1 ATOM 834 C CD1 . PHE A 1 99 ? -0.228 -9.687 5.003 1.00 76.02 99 A 1 ATOM 835 C CD2 . PHE A 1 99 ? -0.093 -10.513 7.278 1.00 75.93 99 A 1 ATOM 836 C CE1 . PHE A 1 99 ? -0.786 -10.910 4.589 1.00 69.89 99 A 1 ATOM 837 C CE2 . PHE A 1 99 ? -0.654 -11.734 6.867 1.00 71.18 99 A 1 ATOM 838 C CZ . PHE A 1 99 ? -1.000 -11.934 5.524 1.00 71.40 99 A 1 ATOM 839 N N . GLU A 1 100 ? 2.806 -5.693 7.016 1.00 93.46 100 A 1 ATOM 840 C CA . GLU A 1 100 ? 3.251 -4.364 7.447 1.00 93.52 100 A 1 ATOM 841 C C . GLU A 1 100 ? 3.471 -3.422 6.252 1.00 93.23 100 A 1 ATOM 842 O O . GLU A 1 100 ? 3.030 -2.267 6.280 1.00 92.59 100 A 1 ATOM 843 C CB . GLU A 1 100 ? 4.536 -4.482 8.277 1.00 93.84 100 A 1 ATOM 844 C CG . GLU A 1 100 ? 4.270 -5.025 9.692 1.00 84.85 100 A 1 ATOM 845 C CD . GLU A 1 100 ? 5.545 -5.212 10.530 1.00 80.53 100 A 1 ATOM 846 O OE1 . GLU A 1 100 ? 5.418 -5.794 11.635 1.00 72.18 100 A 1 ATOM 847 O OE2 . GLU A 1 100 ? 6.620 -4.728 10.110 1.00 73.44 100 A 1 ATOM 848 N N . GLU A 1 101 ? 4.085 -3.903 5.178 1.00 93.29 101 A 1 ATOM 849 C CA . GLU A 1 101 ? 4.291 -3.135 3.947 1.00 92.23 101 A 1 ATOM 850 C C . GLU A 1 101 ? 2.962 -2.787 3.258 1.00 92.88 101 A 1 ATOM 851 O O . GLU A 1 101 ? 2.756 -1.640 2.852 1.00 91.89 101 A 1 ATOM 852 C CB . GLU A 1 101 ? 5.206 -3.906 2.981 1.00 91.68 101 A 1 ATOM 853 C CG . GLU A 1 101 ? 6.678 -3.896 3.433 1.00 82.54 101 A 1 ATOM 854 C CD . GLU A 1 101 ? 7.616 -4.667 2.484 1.00 78.05 101 A 1 ATOM 855 O OE1 . GLU A 1 101 ? 8.761 -4.960 2.910 1.00 70.54 101 A 1 ATOM 856 O OE2 . GLU A 1 101 ? 7.219 -4.910 1.316 1.00 71.17 101 A 1 ATOM 857 N N . VAL A 1 102 ? 2.030 -3.727 3.171 1.00 92.51 102 A 1 ATOM 858 C CA . VAL A 1 102 ? 0.694 -3.502 2.593 1.00 91.74 102 A 1 ATOM 859 C C . VAL A 1 102 ? -0.082 -2.449 3.380 1.00 92.69 102 A 1 ATOM 860 O O . VAL A 1 102 ? -0.628 -1.514 2.794 1.00 92.64 102 A 1 ATOM 861 C CB . VAL A 1 102 ? -0.094 -4.826 2.507 1.00 91.22 102 A 1 ATOM 862 C CG1 . VAL A 1 102 ? -1.586 -4.616 2.198 1.00 86.12 102 A 1 ATOM 863 C CG2 . VAL A 1 102 ? 0.473 -5.714 1.392 1.00 86.53 102 A 1 ATOM 864 N N . ILE A 1 103 ? -0.127 -2.554 4.704 1.00 93.78 103 A 1 ATOM 865 C CA . ILE A 1 103 ? -0.931 -1.676 5.573 1.00 93.83 103 A 1 ATOM 866 C C . ILE A 1 103 ? -0.328 -0.266 5.686 1.00 93.84 103 A 1 ATOM 867 O O . ILE A 1 103 ? -1.058 0.727 5.835 1.00 92.87 103 A 1 ATOM 868 C CB . ILE A 1 103 ? -1.084 -2.341 6.959 1.00 92.89 103 A 1 ATOM 869 C CG1 . ILE A 1 103 ? -1.952 -3.619 6.856 1.00 85.21 103 A 1 ATOM 870 C CG2 . ILE A 1 103 ? -1.705 -1.383 7.990 1.00 84.09 103 A 1 ATOM 871 C CD1 . ILE A 1 103 ? -1.816 -4.530 8.080 1.00 75.61 103 A 1 ATOM 872 N N . SER A 1 104 ? 1.002 -0.167 5.652 1.00 94.64 104 A 1 ATOM 873 C CA . SER A 1 104 ? 1.722 1.107 5.765 1.00 93.93 104 A 1 ATOM 874 C C . SER A 1 104 ? 1.743 1.910 4.466 1.00 93.61 104 A 1 ATOM 875 O O . SER A 1 104 ? 1.862 3.135 4.529 1.00 92.10 104 A 1 ATOM 876 C CB . SER A 1 104 ? 3.147 0.890 6.283 1.00 93.27 104 A 1 ATOM 877 O OG . SER A 1 104 ? 3.893 0.105 5.394 1.00 84.97 104 A 1 ATOM 878 N N . ASN A 1 105 ? 1.564 1.273 3.309 1.00 93.55 105 A 1 ATOM 879 C CA . ASN A 1 105 ? 1.573 1.940 2.012 1.00 93.30 105 A 1 ATOM 880 C C . ASN A 1 105 ? 0.154 2.404 1.607 1.00 93.83 105 A 1 ATOM 881 O O . ASN A 1 105 ? -0.687 1.573 1.264 1.00 93.54 105 A 1 ATOM 882 C CB . ASN A 1 105 ? 2.225 0.994 0.991 1.00 92.21 105 A 1 ATOM 883 C CG . ASN A 1 105 ? 2.409 1.647 -0.364 1.00 90.00 105 A 1 ATOM 884 O OD1 . ASN A 1 105 ? 1.599 2.428 -0.843 1.00 84.95 105 A 1 ATOM 885 N ND2 . ASN A 1 105 ? 3.496 1.355 -1.036 1.00 82.85 105 A 1 ATOM 886 N N . PRO A 1 106 ? -0.124 3.731 1.569 1.00 93.34 106 A 1 ATOM 887 C CA . PRO A 1 106 ? -1.455 4.246 1.237 1.00 93.23 106 A 1 ATOM 888 C C . PRO A 1 106 ? -1.949 3.837 -0.156 1.00 94.16 106 A 1 ATOM 889 O O . PRO A 1 106 ? -3.137 3.568 -0.321 1.00 93.65 106 A 1 ATOM 890 C CB . PRO A 1 106 ? -1.346 5.771 1.343 1.00 92.05 106 A 1 ATOM 891 C CG . PRO A 1 106 ? -0.181 5.981 2.307 1.00 89.22 106 A 1 ATOM 892 C CD . PRO A 1 106 ? 0.753 4.828 1.943 1.00 91.77 106 A 1 ATOM 893 N N . ASP A 1 107 ? -1.064 3.765 -1.144 1.00 92.41 107 A 1 ATOM 894 C CA . ASP A 1 107 ? -1.437 3.400 -2.515 1.00 92.89 107 A 1 ATOM 895 C C . ASP A 1 107 ? -1.797 1.915 -2.623 1.00 94.25 107 A 1 ATOM 896 O O . ASP A 1 107 ? -2.723 1.543 -3.348 1.00 93.79 107 A 1 ATOM 897 C CB . ASP A 1 107 ? -0.295 3.736 -3.489 1.00 91.80 107 A 1 ATOM 898 C CG . ASP A 1 107 ? 0.004 5.232 -3.597 1.00 88.26 107 A 1 ATOM 899 O OD1 . ASP A 1 107 ? -0.922 6.043 -3.353 1.00 84.53 107 A 1 ATOM 900 O OD2 . ASP A 1 107 ? 1.160 5.548 -3.954 1.00 83.45 107 A 1 ATOM 901 N N . THR A 1 108 ? -1.111 1.070 -1.862 1.00 93.73 108 A 1 ATOM 902 C CA . THR A 1 108 ? -1.449 -0.355 -1.767 1.00 94.48 108 A 1 ATOM 903 C C . THR A 1 108 ? -2.801 -0.552 -1.089 1.00 95.56 108 A 1 ATOM 904 O O . THR A 1 108 ? -3.630 -1.295 -1.609 1.00 95.43 108 A 1 ATOM 905 C CB . THR A 1 108 ? -0.348 -1.134 -1.037 1.00 93.86 108 A 1 ATOM 906 O OG1 . THR A 1 108 ? 0.879 -0.933 -1.702 1.00 91.37 108 A 1 ATOM 907 C CG2 . THR A 1 108 ? -0.599 -2.637 -1.061 1.00 90.67 108 A 1 ATOM 908 N N . VAL A 1 109 ? -3.079 0.181 -0.010 1.00 94.15 109 A 1 ATOM 909 C CA . VAL A 1 109 ? -4.392 0.152 0.660 1.00 95.23 109 A 1 ATOM 910 C C . VAL A 1 109 ? -5.504 0.632 -0.281 1.00 95.88 109 A 1 ATOM 911 O O . VAL A 1 109 ? -6.557 0.004 -0.336 1.00 96.08 109 A 1 ATOM 912 C CB . VAL A 1 109 ? -4.374 0.977 1.962 1.00 95.34 109 A 1 ATOM 913 C CG1 . VAL A 1 109 ? -5.759 1.077 2.621 1.00 93.28 109 A 1 ATOM 914 C CG2 . VAL A 1 109 ? -3.437 0.343 3.000 1.00 93.31 109 A 1 ATOM 915 N N . LEU A 1 110 ? -5.280 1.689 -1.064 1.00 95.43 110 A 1 ATOM 916 C CA . LEU A 1 110 ? -6.251 2.164 -2.059 1.00 95.27 110 A 1 ATOM 917 C C . LEU A 1 110 ? -6.537 1.117 -3.145 1.00 96.07 110 A 1 ATOM 918 O O . LEU A 1 110 ? -7.695 0.902 -3.497 1.00 96.25 110 A 1 ATOM 919 C CB . LEU A 1 110 ? -5.739 3.459 -2.716 1.00 94.30 110 A 1 ATOM 920 C CG . LEU A 1 110 ? -5.926 4.722 -1.867 1.00 86.93 110 A 1 ATOM 921 C CD1 . LEU A 1 110 ? -5.147 5.873 -2.502 1.00 83.69 110 A 1 ATOM 922 C CD2 . LEU A 1 110 ? -7.394 5.142 -1.793 1.00 83.97 110 A 1 ATOM 923 N N . LYS A 1 111 ? -5.508 0.443 -3.658 1.00 95.59 111 A 1 ATOM 924 C CA . LYS A 1 111 ? -5.682 -0.650 -4.629 1.00 95.42 111 A 1 ATOM 925 C C . LYS A 1 111 ? -6.465 -1.815 -4.025 1.00 96.31 111 A 1 ATOM 926 O O . LYS A 1 111 ? -7.384 -2.318 -4.666 1.00 96.40 111 A 1 ATOM 927 C CB . LYS A 1 111 ? -4.316 -1.134 -5.132 1.00 94.90 111 A 1 ATOM 928 C CG . LYS A 1 111 ? -3.638 -0.114 -6.062 1.00 91.24 111 A 1 ATOM 929 C CD . LYS A 1 111 ? -2.200 -0.550 -6.344 1.00 88.18 111 A 1 ATOM 930 C CE . LYS A 1 111 ? -1.473 0.513 -7.170 1.00 81.94 111 A 1 ATOM 931 N NZ . LYS A 1 111 ? -0.047 0.161 -7.371 1.00 74.93 111 A 1 ATOM 932 N N . ALA A 1 112 ? -6.142 -2.197 -2.797 1.00 95.53 112 A 1 ATOM 933 C CA . ALA A 1 112 ? -6.870 -3.247 -2.086 1.00 95.89 112 A 1 ATOM 934 C C . ALA A 1 112 ? -8.343 -2.861 -1.854 1.00 96.58 112 A 1 ATOM 935 O O . ALA A 1 112 ? -9.231 -3.675 -2.086 1.00 96.73 112 A 1 ATOM 936 C CB . ALA A 1 112 ? -6.132 -3.547 -0.776 1.00 96.00 112 A 1 ATOM 937 N N . PHE A 1 113 ? -8.617 -1.604 -1.485 1.00 96.15 113 A 1 ATOM 938 C CA . PHE A 1 113 ? -9.978 -1.087 -1.334 1.00 96.39 113 A 1 ATOM 939 C C . PHE A 1 113 ? -10.755 -1.122 -2.651 1.00 96.64 113 A 1 ATOM 940 O O . PHE A 1 113 ? -11.900 -1.564 -2.676 1.00 96.94 113 A 1 ATOM 941 C CB . PHE A 1 113 ? -9.938 0.340 -0.768 1.00 96.63 113 A 1 ATOM 942 C CG . PHE A 1 113 ? -11.311 0.934 -0.489 1.00 96.87 113 A 1 ATOM 943 C CD1 . PHE A 1 113 ? -11.645 2.218 -0.964 1.00 95.11 113 A 1 ATOM 944 C CD2 . PHE A 1 113 ? -12.261 0.208 0.254 1.00 95.60 113 A 1 ATOM 945 C CE1 . PHE A 1 113 ? -12.911 2.770 -0.689 1.00 94.98 113 A 1 ATOM 946 C CE2 . PHE A 1 113 ? -13.529 0.756 0.521 1.00 95.19 113 A 1 ATOM 947 C CZ . PHE A 1 113 ? -13.852 2.036 0.051 1.00 96.06 113 A 1 ATOM 948 N N . HIS A 1 114 ? -10.127 -0.727 -3.756 1.00 96.32 114 A 1 ATOM 949 C CA . HIS A 1 114 ? -10.732 -0.835 -5.078 1.00 96.22 114 A 1 ATOM 950 C C . HIS A 1 114 ? -11.094 -2.284 -5.419 1.00 96.40 114 A 1 ATOM 951 O O . HIS A 1 114 ? -12.239 -2.550 -5.766 1.00 96.69 114 A 1 ATOM 952 C CB . HIS A 1 114 ? -9.798 -0.227 -6.125 1.00 96.13 114 A 1 ATOM 953 C CG . HIS A 1 114 ? -10.367 -0.307 -7.517 1.00 94.55 114 A 1 ATOM 954 N ND1 . HIS A 1 114 ? -11.534 0.264 -7.960 1.00 83.21 114 A 1 ATOM 955 C CD2 . HIS A 1 114 ? -9.833 -0.998 -8.575 1.00 83.40 114 A 1 ATOM 956 C CE1 . HIS A 1 114 ? -11.697 -0.071 -9.252 1.00 86.37 114 A 1 ATOM 957 N NE2 . HIS A 1 114 ? -10.682 -0.835 -9.669 1.00 87.70 114 A 1 ATOM 958 N N . SER A 1 115 ? -10.169 -3.232 -5.257 1.00 96.93 115 A 1 ATOM 959 C CA . SER A 1 115 ? -10.452 -4.654 -5.500 1.00 96.80 115 A 1 ATOM 960 C C . SER A 1 115 ? -11.602 -5.181 -4.636 1.00 97.11 115 A 1 ATOM 961 O O . SER A 1 115 ? -12.470 -5.895 -5.137 1.00 96.70 115 A 1 ATOM 962 C CB . SER A 1 115 ? -9.201 -5.503 -5.232 1.00 96.49 115 A 1 ATOM 963 O OG . SER A 1 115 ? -8.155 -5.145 -6.112 1.00 88.89 115 A 1 ATOM 964 N N . TYR A 1 116 ? -11.635 -4.794 -3.362 1.00 96.25 116 A 1 ATOM 965 C CA . TYR A 1 116 ? -12.699 -5.168 -2.433 1.00 96.29 116 A 1 ATOM 966 C C . TYR A 1 116 ? -14.064 -4.627 -2.873 1.00 96.61 116 A 1 ATOM 967 O O . TYR A 1 116 ? -15.035 -5.377 -2.942 1.00 96.62 116 A 1 ATOM 968 C CB . TYR A 1 116 ? -12.324 -4.664 -1.032 1.00 96.41 116 A 1 ATOM 969 C CG . TYR A 1 116 ? -13.429 -4.804 -0.004 1.00 96.65 116 A 1 ATOM 970 C CD1 . TYR A 1 116 ? -14.179 -3.675 0.391 1.00 94.88 116 A 1 ATOM 971 C CD2 . TYR A 1 116 ? -13.712 -6.064 0.551 1.00 95.40 116 A 1 ATOM 972 C CE1 . TYR A 1 116 ? -15.201 -3.810 1.349 1.00 94.67 116 A 1 ATOM 973 C CE2 . TYR A 1 116 ? -14.732 -6.201 1.509 1.00 94.96 116 A 1 ATOM 974 C CZ . TYR A 1 116 ? -15.477 -5.074 1.911 1.00 95.45 116 A 1 ATOM 975 O OH . TYR A 1 116 ? -16.460 -5.206 2.844 1.00 94.34 116 A 1 ATOM 976 N N . THR A 1 117 ? -14.144 -3.338 -3.204 1.00 96.13 117 A 1 ATOM 977 C CA . THR A 1 117 ? -15.406 -2.707 -3.609 1.00 95.83 117 A 1 ATOM 978 C C . THR A 1 117 ? -15.892 -3.211 -4.964 1.00 95.73 117 A 1 ATOM 979 O O . THR A 1 117 ? -17.074 -3.525 -5.083 1.00 95.52 117 A 1 ATOM 980 C CB . THR A 1 117 ? -15.310 -1.179 -3.610 1.00 95.78 117 A 1 ATOM 981 O OG1 . THR A 1 117 ? -14.233 -0.720 -4.382 1.00 93.63 117 A 1 ATOM 982 C CG2 . THR A 1 117 ? -15.129 -0.636 -2.188 1.00 92.95 117 A 1 ATOM 983 N N . SER A 1 118 ? -15.000 -3.387 -5.942 1.00 96.08 118 A 1 ATOM 984 C CA . SER A 1 118 ? -15.344 -3.959 -7.250 1.00 95.65 118 A 1 ATOM 985 C C . SER A 1 118 ? -15.932 -5.364 -7.110 1.00 95.93 118 A 1 ATOM 986 O O . SER A 1 118 ? -16.977 -5.647 -7.687 1.00 95.39 118 A 1 ATOM 987 C CB . SER A 1 118 ? -14.114 -4.010 -8.165 1.00 95.09 118 A 1 ATOM 988 O OG . SER A 1 118 ? -13.625 -2.708 -8.422 1.00 86.58 118 A 1 ATOM 989 N N . PHE A 1 119 ? -15.332 -6.208 -6.281 1.00 95.87 119 A 1 ATOM 990 C CA . PHE A 1 119 ? -15.865 -7.547 -6.021 1.00 95.22 119 A 1 ATOM 991 C C . PHE A 1 119 ? -17.277 -7.498 -5.424 1.00 94.78 119 A 1 ATOM 992 O O . PHE A 1 119 ? -18.159 -8.244 -5.839 1.00 94.26 119 A 1 ATOM 993 C CB . PHE A 1 119 ? -14.910 -8.306 -5.093 1.00 95.69 119 A 1 ATOM 994 C CG . PHE A 1 119 ? -15.381 -9.716 -4.780 1.00 94.14 119 A 1 ATOM 995 C CD1 . PHE A 1 119 ? -16.196 -9.965 -3.660 1.00 89.75 119 A 1 ATOM 996 C CD2 . PHE A 1 119 ? -15.044 -10.774 -5.644 1.00 91.38 119 A 1 ATOM 997 C CE1 . PHE A 1 119 ? -16.670 -11.266 -3.401 1.00 88.85 119 A 1 ATOM 998 C CE2 . PHE A 1 119 ? -15.514 -12.074 -5.386 1.00 89.54 119 A 1 ATOM 999 C CZ . PHE A 1 119 ? -16.330 -12.320 -4.266 1.00 89.84 119 A 1 ATOM 1000 N N . LEU A 1 120 ? -17.528 -6.602 -4.468 1.00 95.48 120 A 1 ATOM 1001 C CA . LEU A 1 120 ? -18.856 -6.449 -3.867 1.00 94.41 120 A 1 ATOM 1002 C C . LEU A 1 120 ? -19.906 -5.891 -4.840 1.00 93.66 120 A 1 ATOM 1003 O O . LEU A 1 120 ? -21.089 -6.165 -4.665 1.00 92.42 120 A 1 ATOM 1004 C CB . LEU A 1 120 ? -18.772 -5.534 -2.640 1.00 94.41 120 A 1 ATOM 1005 C CG . LEU A 1 120 ? -18.030 -6.105 -1.422 1.00 93.27 120 A 1 ATOM 1006 C CD1 . LEU A 1 120 ? -18.134 -5.070 -0.305 1.00 89.98 120 A 1 ATOM 1007 C CD2 . LEU A 1 120 ? -18.634 -7.418 -0.918 1.00 89.68 120 A 1 ATOM 1008 N N . GLU A 1 121 ? -19.504 -5.063 -5.796 1.00 94.89 121 A 1 ATOM 1009 C CA . GLU A 1 121 ? -20.384 -4.524 -6.836 1.00 93.89 121 A 1 ATOM 1010 C C . GLU A 1 121 ? -20.756 -5.591 -7.874 1.00 93.45 121 A 1 ATOM 1011 O O . GLU A 1 121 ? -21.918 -5.680 -8.255 1.00 91.16 121 A 1 ATOM 1012 C CB . GLU A 1 121 ? -19.721 -3.312 -7.510 1.00 93.00 121 A 1 ATOM 1013 C CG . GLU A 1 121 ? -19.704 -2.054 -6.619 1.00 90.21 121 A 1 ATOM 1014 C CD . GLU A 1 121 ? -18.875 -0.883 -7.201 1.00 88.06 121 A 1 ATOM 1015 O OE1 . GLU A 1 121 ? -18.739 0.152 -6.502 1.00 81.29 121 A 1 ATOM 1016 O OE2 . GLU A 1 121 ? -18.364 -0.980 -8.340 1.00 82.89 121 A 1 ATOM 1017 N N . GLU A 1 122 ? -19.802 -6.427 -8.282 1.00 93.46 122 A 1 ATOM 1018 C CA . GLU A 1 122 ? -20.012 -7.507 -9.265 1.00 93.31 122 A 1 ATOM 1019 C C . GLU A 1 122 ? -20.870 -8.669 -8.733 1.00 92.33 122 A 1 ATOM 1020 O O . GLU A 1 122 ? -21.467 -9.402 -9.523 1.00 89.46 122 A 1 ATOM 1021 C CB . GLU A 1 122 ? -18.645 -8.054 -9.714 1.00 93.42 122 A 1 ATOM 1022 C CG . GLU A 1 122 ? -17.880 -7.080 -10.625 1.00 88.68 122 A 1 ATOM 1023 C CD . GLU A 1 122 ? -16.457 -7.558 -10.980 1.00 84.93 122 A 1 ATOM 1024 O OE1 . GLU A 1 122 ? -15.741 -6.778 -11.649 1.00 78.24 122 A 1 ATOM 1025 O OE2 . GLU A 1 122 ? -16.079 -8.691 -10.601 1.00 80.63 122 A 1 ATOM 1026 N N . ASN A 1 123 ? -20.936 -8.840 -7.414 1.00 92.12 123 A 1 ATOM 1027 C CA . ASN A 1 123 ? -21.641 -9.946 -6.753 1.00 90.55 123 A 1 ATOM 1028 C C . ASN A 1 123 ? -22.935 -9.506 -6.035 1.00 88.26 123 A 1 ATOM 1029 O O . ASN A 1 123 ? -23.424 -10.228 -5.156 1.00 85.73 123 A 1 ATOM 1030 C CB . ASN A 1 123 ? -20.658 -10.699 -5.835 1.00 90.63 123 A 1 ATOM 1031 C CG . ASN A 1 123 ? -19.577 -11.445 -6.607 1.00 88.23 123 A 1 ATOM 1032 O OD1 . ASN A 1 123 ? -19.766 -12.558 -7.065 1.00 78.71 123 A 1 ATOM 1033 N ND2 . ASN A 1 123 ? -18.410 -10.867 -6.762 1.00 77.86 123 A 1 ATOM 1034 N N . LYS A 1 124 ? -23.472 -8.326 -6.396 1.00 93.08 124 A 1 ATOM 1035 C CA . LYS A 1 124 ? -24.811 -7.872 -5.976 1.00 90.99 124 A 1 ATOM 1036 C C . LYS A 1 124 ? -25.862 -8.211 -7.027 1.00 86.25 124 A 1 ATOM 1037 O O . LYS A 1 124 ? -26.975 -8.575 -6.618 1.00 80.04 124 A 1 ATOM 1038 C CB . LYS A 1 124 ? -24.804 -6.361 -5.732 1.00 87.17 124 A 1 ATOM 1039 C CG . LYS A 1 124 ? -24.302 -6.000 -4.333 1.00 82.62 124 A 1 ATOM 1040 C CD . LYS A 1 124 ? -24.237 -4.473 -4.215 1.00 77.99 124 A 1 ATOM 1041 C CE . LYS A 1 124 ? -23.695 -4.092 -2.847 1.00 75.88 124 A 1 ATOM 1042 N NZ . LYS A 1 124 ? -23.480 -2.628 -2.764 1.00 67.32 124 A 1 ATOM 1043 O OXT . LYS A 1 124 ? -25.547 -8.024 -8.219 1.00 77.93 124 A 1 #