# 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_orf58 # _entry.id orf58 # 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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n ASP 2 1 n VAL 3 1 n LEU 4 1 n LEU 5 1 n TYR 6 1 n ILE 7 1 n HIS 8 1 n ARG 9 1 n ASN 10 1 n THR 11 1 n THR 12 1 n GLU 13 1 n ASP 14 1 n ARG 15 1 n LYS 16 1 n MET 17 1 n PHE 18 1 n ASP 19 1 n ALA 20 1 n ASP 21 1 n LYS 22 1 n ALA 23 1 n VAL 24 1 n GLN 25 1 n ALA 26 1 n THR 27 1 n GLU 28 1 n ALA 29 1 n ASP 30 1 n VAL 31 1 n ILE 32 1 n GLU 33 1 n TRP 34 1 n TYR 35 1 n LYS 36 1 n THR 37 1 n LYS 38 1 n ALA 39 1 n GLU 40 1 n LEU 41 1 n GLN 42 1 n LYS 43 1 n LEU 44 1 n GLN 45 1 n ALA 46 1 n ARG 47 1 n GLU 48 1 n ARG 49 1 n ALA 50 1 n LEU 51 1 n ARG 52 1 n ASP 53 1 n LYS 54 1 n ILE 55 1 n ILE 56 1 n LYS 57 1 n SER 58 1 n TYR 59 1 n PHE 60 1 n PRO 61 1 n ALA 62 1 n PRO 63 1 n SER 64 1 n GLU 65 1 n GLY 66 1 n THR 67 1 n ASN 68 1 n LYS 69 1 n VAL 70 1 n GLU 71 1 n ILE 72 1 n THR 73 1 n GLY 74 1 n GLY 75 1 n VAL 76 1 n MET 77 1 n LYS 78 1 n MET 79 1 n THR 80 1 n HIS 81 1 n LYS 82 1 n ILE 83 1 n ASP 84 1 n ARG 85 1 n LYS 86 1 n ILE 87 1 n ASP 88 1 n LEU 89 1 n PRO 90 1 n SER 91 1 n LEU 92 1 n ASN 93 1 n GLY 94 1 n ILE 95 1 n LEU 96 1 n GLY 97 1 n ASP 98 1 n LEU 99 1 n ILE 100 1 n LYS 101 1 n VAL 102 1 n GLY 103 1 n VAL 104 1 n ASN 105 1 n VAL 106 1 n ASP 107 1 n GLN 108 1 n LEU 109 1 n VAL 110 1 n GLU 111 1 n ASN 112 1 n LYS 113 1 n PRO 114 1 n VAL 115 1 n LEU 116 1 n LYS 117 1 n VAL 118 1 n ALA 119 1 n ALA 120 1 n TRP 121 1 n ARG 122 1 n LYS 123 1 n LEU 124 1 n THR 125 1 n ALA 126 1 n GLU 127 1 n GLN 128 1 n ALA 129 1 n ALA 130 1 n VAL 131 1 n PHE 132 1 n ASN 133 1 n GLN 134 1 n CYS 135 1 n VAL 136 1 n GLU 137 1 n SER 138 1 n LYS 139 1 n VAL 140 1 n GLY 141 1 n SER 142 1 n ALA 143 1 n SER 144 1 n LEU 145 1 n GLU 146 1 n ILE 147 1 n VAL 148 1 n PRO 149 1 n ASN 150 1 n LYS 151 1 n ALA 152 # _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 01:07:58)" _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 83.03 _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 36.96 1 1 A ASP 2 2 42.51 1 2 A VAL 3 2 39.78 1 3 A LEU 4 2 40.50 1 4 A LEU 5 2 43.17 1 5 A TYR 6 2 37.87 1 6 A ILE 7 2 38.34 1 7 A HIS 8 2 40.51 1 8 A ARG 9 2 40.97 1 9 A ASN 10 2 38.67 1 10 A THR 11 2 44.06 1 11 A THR 12 2 44.39 1 12 A GLU 13 2 41.31 1 13 A ASP 14 2 40.95 1 14 A ARG 15 2 41.42 1 15 A LYS 16 2 41.80 1 16 A MET 17 2 45.56 1 17 A PHE 18 2 47.02 1 18 A ASP 19 2 50.56 1 19 A ALA 20 2 55.78 1 20 A ASP 21 2 57.05 1 21 A LYS 22 2 51.56 1 22 A ALA 23 2 64.58 1 23 A VAL 24 2 71.90 1 24 A GLN 25 2 76.05 1 25 A ALA 26 2 90.13 1 26 A THR 27 2 90.05 1 27 A GLU 28 2 83.15 1 28 A ALA 29 2 92.40 1 29 A ASP 30 2 90.17 1 30 A VAL 31 2 91.43 1 31 A ILE 32 2 91.45 1 32 A GLU 33 2 88.77 1 33 A TRP 34 2 91.84 1 34 A TYR 35 2 86.07 1 35 A LYS 36 2 89.50 1 36 A THR 37 2 95.76 1 37 A LYS 38 2 89.44 1 38 A ALA 39 2 95.78 1 39 A GLU 40 2 87.55 1 40 A LEU 41 2 95.61 1 41 A GLN 42 2 88.55 1 42 A LYS 43 2 92.19 1 43 A LEU 44 2 95.35 1 44 A GLN 45 2 92.81 1 45 A ALA 46 2 98.10 1 46 A ARG 47 2 85.72 1 47 A GLU 48 2 94.54 1 48 A ARG 49 2 83.95 1 49 A ALA 50 2 97.99 1 50 A LEU 51 2 96.59 1 51 A ARG 52 2 92.16 1 52 A ASP 53 2 93.76 1 53 A LYS 54 2 91.84 1 54 A ILE 55 2 95.61 1 55 A ILE 56 2 95.86 1 56 A LYS 57 2 92.10 1 57 A SER 58 2 94.95 1 58 A TYR 59 2 94.95 1 59 A PHE 60 2 96.35 1 60 A PRO 61 2 95.64 1 61 A ALA 62 2 95.52 1 62 A PRO 63 2 95.72 1 63 A SER 64 2 94.14 1 64 A GLU 65 2 93.26 1 65 A GLY 66 2 95.93 1 66 A THR 67 2 95.61 1 67 A ASN 68 2 95.37 1 68 A LYS 69 2 92.11 1 69 A VAL 70 2 93.01 1 70 A GLU 71 2 86.67 1 71 A ILE 72 2 90.55 1 72 A THR 73 2 86.41 1 73 A GLY 74 2 88.59 1 74 A GLY 75 2 93.53 1 75 A VAL 76 2 92.38 1 76 A MET 77 2 91.77 1 77 A LYS 78 2 90.70 1 78 A MET 79 2 92.65 1 79 A THR 80 2 94.70 1 80 A HIS 81 2 92.31 1 81 A LYS 82 2 86.70 1 82 A ILE 83 2 91.57 1 83 A ASP 84 2 88.34 1 84 A ARG 85 2 91.63 1 85 A LYS 86 2 83.00 1 86 A ILE 87 2 92.10 1 87 A ASP 88 2 91.81 1 88 A LEU 89 2 87.16 1 89 A PRO 90 2 93.63 1 90 A SER 91 2 94.60 1 91 A LEU 92 2 94.26 1 92 A ASN 93 2 91.24 1 93 A GLY 94 2 95.61 1 94 A ILE 95 2 95.53 1 95 A LEU 96 2 89.94 1 96 A GLY 97 2 96.25 1 97 A ASP 98 2 95.30 1 98 A LEU 99 2 95.55 1 99 A ILE 100 2 92.77 1 100 A LYS 101 2 91.98 1 101 A VAL 102 2 95.26 1 102 A GLY 103 2 96.48 1 103 A VAL 104 2 95.75 1 104 A ASN 105 2 94.04 1 105 A VAL 106 2 93.79 1 106 A ASP 107 2 90.94 1 107 A GLN 108 2 89.97 1 108 A LEU 109 2 94.16 1 109 A VAL 110 2 92.61 1 110 A GLU 111 2 84.39 1 111 A ASN 112 2 82.57 1 112 A LYS 113 2 80.77 1 113 A PRO 114 2 90.97 1 114 A VAL 115 2 92.34 1 115 A LEU 116 2 93.89 1 116 A LYS 117 2 91.16 1 117 A VAL 118 2 94.23 1 118 A ALA 119 2 96.92 1 119 A ALA 120 2 97.03 1 120 A TRP 121 2 92.25 1 121 A ARG 122 2 88.42 1 122 A LYS 123 2 93.80 1 123 A LEU 124 2 95.30 1 124 A THR 125 2 96.11 1 125 A ALA 126 2 95.47 1 126 A GLU 127 2 87.81 1 127 A GLN 128 2 94.51 1 128 A ALA 129 2 93.94 1 129 A ALA 130 2 93.52 1 130 A VAL 131 2 93.60 1 131 A PHE 132 2 92.72 1 132 A ASN 133 2 90.91 1 133 A GLN 134 2 89.08 1 134 A CYS 135 2 91.38 1 135 A VAL 136 2 90.31 1 136 A GLU 137 2 82.59 1 137 A SER 138 2 87.97 1 138 A LYS 139 2 80.12 1 139 A VAL 140 2 87.12 1 140 A GLY 141 2 88.89 1 141 A SER 142 2 85.51 1 142 A ALA 143 2 88.24 1 143 A SER 144 2 87.95 1 144 A LEU 145 2 84.43 1 145 A GLU 146 2 82.20 1 146 A ILE 147 2 84.91 1 147 A VAL 148 2 83.73 1 148 A PRO 149 2 82.49 1 149 A ASN 150 2 80.98 1 150 A LYS 151 2 74.38 1 151 A ALA 152 2 78.40 1 152 # _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 ASP . 2 A 2 A 3 1 n VAL . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n TYR . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n HIS . 8 A 8 A 9 1 n ARG . 9 A 9 A 10 1 n ASN . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n GLU . 13 A 13 A 14 1 n ASP . 14 A 14 A 15 1 n ARG . 15 A 15 A 16 1 n LYS . 16 A 16 A 17 1 n MET . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n ASP . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n ASP . 21 A 21 A 22 1 n LYS . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n VAL . 24 A 24 A 25 1 n GLN . 25 A 25 A 26 1 n ALA . 26 A 26 A 27 1 n THR . 27 A 27 A 28 1 n GLU . 28 A 28 A 29 1 n ALA . 29 A 29 A 30 1 n ASP . 30 A 30 A 31 1 n VAL . 31 A 31 A 32 1 n ILE . 32 A 32 A 33 1 n GLU . 33 A 33 A 34 1 n TRP . 34 A 34 A 35 1 n TYR . 35 A 35 A 36 1 n LYS . 36 A 36 A 37 1 n THR . 37 A 37 A 38 1 n LYS . 38 A 38 A 39 1 n ALA . 39 A 39 A 40 1 n GLU . 40 A 40 A 41 1 n LEU . 41 A 41 A 42 1 n GLN . 42 A 42 A 43 1 n LYS . 43 A 43 A 44 1 n LEU . 44 A 44 A 45 1 n GLN . 45 A 45 A 46 1 n ALA . 46 A 46 A 47 1 n ARG . 47 A 47 A 48 1 n GLU . 48 A 48 A 49 1 n ARG . 49 A 49 A 50 1 n ALA . 50 A 50 A 51 1 n LEU . 51 A 51 A 52 1 n ARG . 52 A 52 A 53 1 n ASP . 53 A 53 A 54 1 n LYS . 54 A 54 A 55 1 n ILE . 55 A 55 A 56 1 n ILE . 56 A 56 A 57 1 n LYS . 57 A 57 A 58 1 n SER . 58 A 58 A 59 1 n TYR . 59 A 59 A 60 1 n PHE . 60 A 60 A 61 1 n PRO . 61 A 61 A 62 1 n ALA . 62 A 62 A 63 1 n PRO . 63 A 63 A 64 1 n SER . 64 A 64 A 65 1 n GLU . 65 A 65 A 66 1 n GLY . 66 A 66 A 67 1 n THR . 67 A 67 A 68 1 n ASN . 68 A 68 A 69 1 n LYS . 69 A 69 A 70 1 n VAL . 70 A 70 A 71 1 n GLU . 71 A 71 A 72 1 n ILE . 72 A 72 A 73 1 n THR . 73 A 73 A 74 1 n GLY . 74 A 74 A 75 1 n GLY . 75 A 75 A 76 1 n VAL . 76 A 76 A 77 1 n MET . 77 A 77 A 78 1 n LYS . 78 A 78 A 79 1 n MET . 79 A 79 A 80 1 n THR . 80 A 80 A 81 1 n HIS . 81 A 81 A 82 1 n LYS . 82 A 82 A 83 1 n ILE . 83 A 83 A 84 1 n ASP . 84 A 84 A 85 1 n ARG . 85 A 85 A 86 1 n LYS . 86 A 86 A 87 1 n ILE . 87 A 87 A 88 1 n ASP . 88 A 88 A 89 1 n LEU . 89 A 89 A 90 1 n PRO . 90 A 90 A 91 1 n SER . 91 A 91 A 92 1 n LEU . 92 A 92 A 93 1 n ASN . 93 A 93 A 94 1 n GLY . 94 A 94 A 95 1 n ILE . 95 A 95 A 96 1 n LEU . 96 A 96 A 97 1 n GLY . 97 A 97 A 98 1 n ASP . 98 A 98 A 99 1 n LEU . 99 A 99 A 100 1 n ILE . 100 A 100 A 101 1 n LYS . 101 A 101 A 102 1 n VAL . 102 A 102 A 103 1 n GLY . 103 A 103 A 104 1 n VAL . 104 A 104 A 105 1 n ASN . 105 A 105 A 106 1 n VAL . 106 A 106 A 107 1 n ASP . 107 A 107 A 108 1 n GLN . 108 A 108 A 109 1 n LEU . 109 A 109 A 110 1 n VAL . 110 A 110 A 111 1 n GLU . 111 A 111 A 112 1 n ASN . 112 A 112 A 113 1 n LYS . 113 A 113 A 114 1 n PRO . 114 A 114 A 115 1 n VAL . 115 A 115 A 116 1 n LEU . 116 A 116 A 117 1 n LYS . 117 A 117 A 118 1 n VAL . 118 A 118 A 119 1 n ALA . 119 A 119 A 120 1 n ALA . 120 A 120 A 121 1 n TRP . 121 A 121 A 122 1 n ARG . 122 A 122 A 123 1 n LYS . 123 A 123 A 124 1 n LEU . 124 A 124 A 125 1 n THR . 125 A 125 A 126 1 n ALA . 126 A 126 A 127 1 n GLU . 127 A 127 A 128 1 n GLN . 128 A 128 A 129 1 n ALA . 129 A 129 A 130 1 n ALA . 130 A 130 A 131 1 n VAL . 131 A 131 A 132 1 n PHE . 132 A 132 A 133 1 n ASN . 133 A 133 A 134 1 n GLN . 134 A 134 A 135 1 n CYS . 135 A 135 A 136 1 n VAL . 136 A 136 A 137 1 n GLU . 137 A 137 A 138 1 n SER . 138 A 138 A 139 1 n LYS . 139 A 139 A 140 1 n VAL . 140 A 140 A 141 1 n GLY . 141 A 141 A 142 1 n SER . 142 A 142 A 143 1 n ALA . 143 A 143 A 144 1 n SER . 144 A 144 A 145 1 n LEU . 145 A 145 A 146 1 n GLU . 146 A 146 A 147 1 n ILE . 147 A 147 A 148 1 n VAL . 148 A 148 A 149 1 n PRO . 149 A 149 A 150 1 n ASN . 150 A 150 A 151 1 n LYS . 151 A 151 A 152 1 n ALA . 152 A 152 # _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 ? -17.128 30.120 -19.838 1.00 33.40 1 A 1 ATOM 2 C CA . MET A 1 1 ? -16.676 29.496 -18.575 1.00 41.43 1 A 1 ATOM 3 C C . MET A 1 1 ? -15.303 28.928 -18.878 1.00 44.35 1 A 1 ATOM 4 O O . MET A 1 1 ? -15.214 27.979 -19.643 1.00 41.45 1 A 1 ATOM 5 C CB . MET A 1 1 ? -17.708 28.459 -18.090 1.00 40.30 1 A 1 ATOM 6 C CG . MET A 1 1 ? -17.538 28.085 -16.618 1.00 35.31 1 A 1 ATOM 7 S SD . MET A 1 1 ? -18.791 26.908 -16.008 1.00 31.18 1 A 1 ATOM 8 C CE . MET A 1 1 ? -20.247 27.962 -15.787 1.00 28.24 1 A 1 ATOM 9 N N . ASP A 1 2 ? -14.251 29.627 -18.437 1.00 40.98 2 A 1 ATOM 10 C CA . ASP A 1 2 ? -12.906 29.514 -19.004 1.00 46.51 2 A 1 ATOM 11 C C . ASP A 1 2 ? -12.212 28.190 -18.656 1.00 44.46 2 A 1 ATOM 12 O O . ASP A 1 2 ? -11.904 27.907 -17.496 1.00 43.23 2 A 1 ATOM 13 C CB . ASP A 1 2 ? -12.047 30.700 -18.529 1.00 46.18 2 A 1 ATOM 14 C CG . ASP A 1 2 ? -11.997 31.826 -19.553 1.00 41.88 2 A 1 ATOM 15 O OD1 . ASP A 1 2 ? -11.716 31.491 -20.720 1.00 39.17 2 A 1 ATOM 16 O OD2 . ASP A 1 2 ? -12.262 32.980 -19.154 1.00 37.66 2 A 1 ATOM 17 N N . VAL A 1 3 ? -11.905 27.402 -19.691 1.00 38.48 3 A 1 ATOM 18 C CA . VAL A 1 3 ? -11.107 26.160 -19.617 1.00 41.58 3 A 1 ATOM 19 C C . VAL A 1 3 ? -9.705 26.432 -19.039 1.00 42.32 3 A 1 ATOM 20 O O . VAL A 1 3 ? -9.146 25.592 -18.332 1.00 40.75 3 A 1 ATOM 21 C CB . VAL A 1 3 ? -11.047 25.528 -21.026 1.00 40.92 3 A 1 ATOM 22 C CG1 . VAL A 1 3 ? -10.168 24.278 -21.088 1.00 36.48 3 A 1 ATOM 23 C CG2 . VAL A 1 3 ? -12.450 25.136 -21.510 1.00 37.93 3 A 1 ATOM 24 N N . LEU A 1 4 ? -9.178 27.640 -19.236 1.00 38.46 4 A 1 ATOM 25 C CA . LEU A 1 4 ? -7.894 28.084 -18.674 1.00 42.67 4 A 1 ATOM 26 C C . LEU A 1 4 ? -7.921 28.233 -17.143 1.00 43.36 4 A 1 ATOM 27 O O . LEU A 1 4 ? -6.913 27.973 -16.485 1.00 42.42 4 A 1 ATOM 28 C CB . LEU A 1 4 ? -7.510 29.411 -19.352 1.00 42.75 4 A 1 ATOM 29 C CG . LEU A 1 4 ? -6.879 29.208 -20.739 1.00 39.27 4 A 1 ATOM 30 C CD1 . LEU A 1 4 ? -7.007 30.464 -21.587 1.00 36.50 4 A 1 ATOM 31 C CD2 . LEU A 1 4 ? -5.389 28.866 -20.613 1.00 38.53 4 A 1 ATOM 32 N N . LEU A 1 5 ? -9.069 28.584 -16.562 1.00 43.13 5 A 1 ATOM 33 C CA . LEU A 1 5 ? -9.217 28.682 -15.104 1.00 45.76 5 A 1 ATOM 34 C C . LEU A 1 5 ? -9.268 27.301 -14.429 1.00 45.39 5 A 1 ATOM 35 O O . LEU A 1 5 ? -8.833 27.163 -13.289 1.00 44.21 5 A 1 ATOM 36 C CB . LEU A 1 5 ? -10.464 29.519 -14.762 1.00 45.39 5 A 1 ATOM 37 C CG . LEU A 1 5 ? -10.119 30.809 -13.991 1.00 41.67 5 A 1 ATOM 38 C CD1 . LEU A 1 5 ? -10.425 32.045 -14.832 1.00 38.39 5 A 1 ATOM 39 C CD2 . LEU A 1 5 ? -10.915 30.903 -12.690 1.00 41.42 5 A 1 ATOM 40 N N . TYR A 1 6 ? -9.767 26.272 -15.128 1.00 40.38 6 A 1 ATOM 41 C CA . TYR A 1 6 ? -9.835 24.899 -14.619 1.00 42.60 6 A 1 ATOM 42 C C . TYR A 1 6 ? -8.448 24.237 -14.571 1.00 42.27 6 A 1 ATOM 43 O O . TYR A 1 6 ? -8.108 23.570 -13.595 1.00 41.36 6 A 1 ATOM 44 C CB . TYR A 1 6 ? -10.828 24.110 -15.485 1.00 42.53 6 A 1 ATOM 45 C CG . TYR A 1 6 ? -11.288 22.815 -14.845 1.00 38.99 6 A 1 ATOM 46 C CD1 . TYR A 1 6 ? -10.702 21.587 -15.209 1.00 35.36 6 A 1 ATOM 47 C CD2 . TYR A 1 6 ? -12.311 22.842 -13.873 1.00 35.42 6 A 1 ATOM 48 C CE1 . TYR A 1 6 ? -11.133 20.389 -14.606 1.00 33.49 6 A 1 ATOM 49 C CE2 . TYR A 1 6 ? -12.746 21.646 -13.262 1.00 33.62 6 A 1 ATOM 50 C CZ . TYR A 1 6 ? -12.155 20.419 -13.632 1.00 35.38 6 A 1 ATOM 51 O OH . TYR A 1 6 ? -12.569 19.262 -13.039 1.00 33.09 6 A 1 ATOM 52 N N . ILE A 1 7 ? -7.623 24.494 -15.576 1.00 39.88 7 A 1 ATOM 53 C CA . ILE A 1 7 ? -6.255 23.960 -15.650 1.00 40.88 7 A 1 ATOM 54 C C . ILE A 1 7 ? -5.352 24.596 -14.580 1.00 41.30 7 A 1 ATOM 55 O O . ILE A 1 7 ? -4.584 23.890 -13.934 1.00 39.30 7 A 1 ATOM 56 C CB . ILE A 1 7 ? -5.706 24.127 -17.088 1.00 39.30 7 A 1 ATOM 57 C CG1 . ILE A 1 7 ? -6.555 23.305 -18.086 1.00 35.85 7 A 1 ATOM 58 C CG2 . ILE A 1 7 ? -4.228 23.693 -17.170 1.00 36.16 7 A 1 ATOM 59 C CD1 . ILE A 1 7 ? -6.251 23.595 -19.561 1.00 34.07 7 A 1 ATOM 60 N N . HIS A 1 8 ? -5.484 25.908 -14.323 1.00 43.62 8 A 1 ATOM 61 C CA . HIS A 1 8 ? -4.680 26.580 -13.290 1.00 46.22 8 A 1 ATOM 62 C C . HIS A 1 8 ? -5.043 26.173 -11.854 1.00 46.59 8 A 1 ATOM 63 O O . HIS A 1 8 ? -4.172 26.189 -10.988 1.00 44.99 8 A 1 ATOM 64 C CB . HIS A 1 8 ? -4.774 28.104 -13.466 1.00 44.30 8 A 1 ATOM 65 C CG . HIS A 1 8 ? -3.665 28.638 -14.335 1.00 39.88 8 A 1 ATOM 66 N ND1 . HIS A 1 8 ? -3.571 28.508 -15.699 1.00 35.28 8 A 1 ATOM 67 C CD2 . HIS A 1 8 ? -2.544 29.303 -13.915 1.00 34.88 8 A 1 ATOM 68 C CE1 . HIS A 1 8 ? -2.417 29.082 -16.096 1.00 35.25 8 A 1 ATOM 69 N NE2 . HIS A 1 8 ? -1.760 29.576 -15.039 1.00 34.07 8 A 1 ATOM 70 N N . ARG A 1 9 ? -6.287 25.767 -11.600 1.00 44.63 9 A 1 ATOM 71 C CA . ARG A 1 9 ? -6.736 25.367 -10.257 1.00 46.87 9 A 1 ATOM 72 C C . ARG A 1 9 ? -6.189 24.000 -9.835 1.00 45.68 9 A 1 ATOM 73 O O . ARG A 1 9 ? -5.776 23.853 -8.689 1.00 42.56 9 A 1 ATOM 74 C CB . ARG A 1 9 ? -8.267 25.449 -10.188 1.00 46.59 9 A 1 ATOM 75 C CG . ARG A 1 9 ? -8.722 26.144 -8.904 1.00 42.29 9 A 1 ATOM 76 C CD . ARG A 1 9 ? -10.244 26.299 -8.898 1.00 40.35 9 A 1 ATOM 77 N NE . ARG A 1 9 ? -10.699 27.129 -7.768 1.00 38.20 9 A 1 ATOM 78 C CZ . ARG A 1 9 ? -11.912 27.614 -7.593 1.00 35.94 9 A 1 ATOM 79 N NH1 . ARG A 1 9 ? -12.879 27.369 -8.435 1.00 33.88 9 A 1 ATOM 80 N NH2 . ARG A 1 9 ? -12.183 28.363 -6.558 1.00 33.71 9 A 1 ATOM 81 N N . ASN A 1 10 ? -6.101 23.053 -10.763 1.00 39.64 10 A 1 ATOM 82 C CA . ASN A 1 10 ? -5.599 21.703 -10.469 1.00 42.86 10 A 1 ATOM 83 C C . ASN A 1 10 ? -4.070 21.625 -10.304 1.00 41.65 10 A 1 ATOM 84 O O . ASN A 1 10 ? -3.564 20.687 -9.694 1.00 39.45 10 A 1 ATOM 85 C CB . ASN A 1 10 ? -6.107 20.732 -11.551 1.00 41.91 10 A 1 ATOM 86 C CG . ASN A 1 10 ? -7.534 20.277 -11.320 1.00 36.77 10 A 1 ATOM 87 O OD1 . ASN A 1 10 ? -8.176 20.554 -10.322 1.00 34.30 10 A 1 ATOM 88 N ND2 . ASN A 1 10 ? -8.090 19.540 -12.249 1.00 32.77 10 A 1 ATOM 89 N N . THR A 1 11 ? -3.307 22.602 -10.800 1.00 43.60 11 A 1 ATOM 90 C CA . THR A 1 11 ? -1.832 22.576 -10.686 1.00 47.18 11 A 1 ATOM 91 C C . THR A 1 11 ? -1.318 23.094 -9.339 1.00 48.42 11 A 1 ATOM 92 O O . THR A 1 11 ? -0.164 22.841 -8.983 1.00 45.63 11 A 1 ATOM 93 C CB . THR A 1 11 ? -1.148 23.339 -11.835 1.00 45.44 11 A 1 ATOM 94 O OG1 . THR A 1 11 ? -1.987 23.551 -12.943 1.00 39.14 11 A 1 ATOM 95 C CG2 . THR A 1 11 ? 0.051 22.557 -12.374 1.00 39.03 11 A 1 ATOM 96 N N . THR A 1 12 ? -2.141 23.811 -8.588 1.00 43.50 12 A 1 ATOM 97 C CA . THR A 1 12 ? -1.750 24.455 -7.317 1.00 46.84 12 A 1 ATOM 98 C C . THR A 1 12 ? -2.280 23.741 -6.069 1.00 48.04 12 A 1 ATOM 99 O O . THR A 1 12 ? -1.680 23.893 -5.004 1.00 45.88 12 A 1 ATOM 100 C CB . THR A 1 12 ? -2.116 25.953 -7.273 1.00 46.03 12 A 1 ATOM 101 O OG1 . THR A 1 12 ? -2.915 26.364 -8.359 1.00 40.62 12 A 1 ATOM 102 C CG2 . THR A 1 12 ? -0.861 26.821 -7.317 1.00 39.85 12 A 1 ATOM 103 N N . GLU A 1 13 ? -3.336 22.931 -6.180 1.00 42.14 13 A 1 ATOM 104 C CA . GLU A 1 13 ? -3.911 22.228 -5.013 1.00 45.46 13 A 1 ATOM 105 C C . GLU A 1 13 ? -3.263 20.863 -4.706 1.00 46.91 13 A 1 ATOM 106 O O . GLU A 1 13 ? -3.296 20.429 -3.549 1.00 44.84 13 A 1 ATOM 107 C CB . GLU A 1 13 ? -5.441 22.147 -5.129 1.00 44.89 13 A 1 ATOM 108 C CG . GLU A 1 13 ? -6.084 23.519 -4.835 1.00 39.55 13 A 1 ATOM 109 C CD . GLU A 1 13 ? -7.610 23.470 -4.653 1.00 36.55 13 A 1 ATOM 110 O OE1 . GLU A 1 13 ? -8.108 24.255 -3.811 1.00 34.08 13 A 1 ATOM 111 O OE2 . GLU A 1 13 ? -8.277 22.658 -5.325 1.00 37.41 13 A 1 ATOM 112 N N . ASP A 1 14 ? -2.577 20.231 -5.662 1.00 41.46 14 A 1 ATOM 113 C CA . ASP A 1 14 ? -1.961 18.899 -5.489 1.00 44.62 14 A 1 ATOM 114 C C . ASP A 1 14 ? -0.589 18.901 -4.781 1.00 45.10 14 A 1 ATOM 115 O O . ASP A 1 14 ? -0.002 17.849 -4.519 1.00 43.38 14 A 1 ATOM 116 C CB . ASP A 1 14 ? -1.917 18.164 -6.841 1.00 43.78 14 A 1 ATOM 117 C CG . ASP A 1 14 ? -3.254 17.530 -7.242 1.00 38.56 14 A 1 ATOM 118 O OD1 . ASP A 1 14 ? -4.088 17.285 -6.343 1.00 35.81 14 A 1 ATOM 119 O OD2 . ASP A 1 14 ? -3.390 17.225 -8.447 1.00 34.93 14 A 1 ATOM 120 N N . ARG A 1 15 ? -0.072 20.071 -4.385 1.00 44.96 15 A 1 ATOM 121 C CA . ARG A 1 15 ? 1.116 20.185 -3.511 1.00 48.60 15 A 1 ATOM 122 C C . ARG A 1 15 ? 0.757 20.293 -2.022 1.00 50.77 15 A 1 ATOM 123 O O . ARG A 1 15 ? 1.456 20.974 -1.268 1.00 49.43 15 A 1 ATOM 124 C CB . ARG A 1 15 ? 2.051 21.306 -3.979 1.00 47.54 15 A 1 ATOM 125 C CG . ARG A 1 15 ? 2.796 20.956 -5.271 1.00 41.78 15 A 1 ATOM 126 C CD . ARG A 1 15 ? 3.840 22.042 -5.538 1.00 39.43 15 A 1 ATOM 127 N NE . ARG A 1 15 ? 4.577 21.809 -6.789 1.00 36.47 15 A 1 ATOM 128 C CZ . ARG A 1 15 ? 5.446 22.637 -7.344 1.00 33.44 15 A 1 ATOM 129 N NH1 . ARG A 1 15 ? 5.758 23.777 -6.792 1.00 32.15 15 A 1 ATOM 130 N NH2 . ARG A 1 15 ? 6.015 22.332 -8.475 1.00 31.04 15 A 1 ATOM 131 N N . LYS A 1 16 ? -0.301 19.623 -1.583 1.00 44.11 16 A 1 ATOM 132 C CA . LYS A 1 16 ? -0.603 19.573 -0.147 1.00 48.09 16 A 1 ATOM 133 C C . LYS A 1 16 ? 0.325 18.594 0.572 1.00 49.42 16 A 1 ATOM 134 O O . LYS A 1 16 ? 0.190 17.383 0.461 1.00 47.85 16 A 1 ATOM 135 C CB . LYS A 1 16 ? -2.101 19.327 0.113 1.00 46.22 16 A 1 ATOM 136 C CG . LYS A 1 16 ? -2.843 20.673 0.195 1.00 40.39 16 A 1 ATOM 137 C CD . LYS A 1 16 ? -4.333 20.487 0.503 1.00 36.92 16 A 1 ATOM 138 C CE . LYS A 1 16 ? -5.014 21.856 0.583 1.00 32.82 16 A 1 ATOM 139 N NZ . LYS A 1 16 ? -6.497 21.734 0.628 1.00 30.35 16 A 1 ATOM 140 N N . MET A 1 17 ? 1.174 19.197 1.389 1.00 48.58 17 A 1 ATOM 141 C CA . MET A 1 17 ? 1.756 18.692 2.637 1.00 49.94 17 A 1 ATOM 142 C C . MET A 1 17 ? 3.057 17.885 2.578 1.00 52.94 17 A 1 ATOM 143 O O . MET A 1 17 ? 3.129 16.752 3.054 1.00 50.98 17 A 1 ATOM 144 C CB . MET A 1 17 ? 0.686 18.050 3.538 1.00 47.71 17 A 1 ATOM 145 C CG . MET A 1 17 ? -0.221 19.107 4.173 1.00 41.62 17 A 1 ATOM 146 S SD . MET A 1 17 ? -1.441 18.402 5.301 1.00 37.96 17 A 1 ATOM 147 C CE . MET A 1 17 ? -1.905 19.883 6.228 1.00 34.72 17 A 1 ATOM 148 N N . PHE A 1 18 ? 4.136 18.576 2.206 1.00 49.91 18 A 1 ATOM 149 C CA . PHE A 1 18 ? 5.310 18.569 3.078 1.00 51.71 18 A 1 ATOM 150 C C . PHE A 1 18 ? 5.778 20.021 3.229 1.00 52.03 18 A 1 ATOM 151 O O . PHE A 1 18 ? 6.422 20.569 2.339 1.00 51.02 18 A 1 ATOM 152 C CB . PHE A 1 18 ? 6.401 17.636 2.543 1.00 50.92 18 A 1 ATOM 153 C CG . PHE A 1 18 ? 7.563 17.456 3.507 1.00 47.39 18 A 1 ATOM 154 C CD1 . PHE A 1 18 ? 8.775 18.142 3.303 1.00 44.30 18 A 1 ATOM 155 C CD2 . PHE A 1 18 ? 7.432 16.603 4.614 1.00 44.65 18 A 1 ATOM 156 C CE1 . PHE A 1 18 ? 9.846 17.972 4.195 1.00 40.91 18 A 1 ATOM 157 C CE2 . PHE A 1 18 ? 8.500 16.434 5.512 1.00 42.01 18 A 1 ATOM 158 C CZ . PHE A 1 18 ? 9.708 17.118 5.303 1.00 42.35 18 A 1 ATOM 159 N N . ASP A 1 19 ? 5.350 20.664 4.325 1.00 51.80 19 A 1 ATOM 160 C CA . ASP A 1 19 ? 5.790 22.010 4.690 1.00 55.24 19 A 1 ATOM 161 C C . ASP A 1 19 ? 7.058 21.840 5.530 1.00 54.17 19 A 1 ATOM 162 O O . ASP A 1 19 ? 6.994 21.580 6.730 1.00 53.07 19 A 1 ATOM 163 C CB . ASP A 1 19 ? 4.637 22.747 5.401 1.00 54.25 19 A 1 ATOM 164 C CG . ASP A 1 19 ? 4.903 24.235 5.653 1.00 46.97 19 A 1 ATOM 165 O OD1 . ASP A 1 19 ? 6.044 24.674 5.439 1.00 44.83 19 A 1 ATOM 166 O OD2 . ASP A 1 19 ? 3.925 24.919 6.077 1.00 44.19 19 A 1 ATOM 167 N N . ALA A 1 20 ? 8.209 21.885 4.864 1.00 55.94 20 A 1 ATOM 168 C CA . ALA A 1 20 ? 9.511 21.700 5.496 1.00 56.38 20 A 1 ATOM 169 C C . ALA A 1 20 ? 9.792 22.756 6.580 1.00 57.33 20 A 1 ATOM 170 O O . ALA A 1 20 ? 10.524 22.476 7.522 1.00 55.00 20 A 1 ATOM 171 C CB . ALA A 1 20 ? 10.585 21.713 4.402 1.00 54.27 20 A 1 ATOM 172 N N . ASP A 1 21 ? 9.146 23.928 6.486 1.00 59.82 21 A 1 ATOM 173 C CA . ASP A 1 21 ? 9.327 25.027 7.439 1.00 61.45 21 A 1 ATOM 174 C C . ASP A 1 21 ? 8.526 24.828 8.741 1.00 61.10 21 A 1 ATOM 175 O O . ASP A 1 21 ? 8.801 25.480 9.748 1.00 58.68 21 A 1 ATOM 176 C CB . ASP A 1 21 ? 8.946 26.351 6.753 1.00 59.70 21 A 1 ATOM 177 C CG . ASP A 1 21 ? 9.843 26.712 5.560 1.00 54.81 21 A 1 ATOM 178 O OD1 . ASP A 1 21 ? 11.036 26.338 5.582 1.00 50.99 21 A 1 ATOM 179 O OD2 . ASP A 1 21 ? 9.332 27.377 4.633 1.00 49.89 21 A 1 ATOM 180 N N . LYS A 1 22 ? 7.545 23.907 8.752 1.00 56.14 22 A 1 ATOM 181 C CA . LYS A 1 22 ? 6.774 23.536 9.958 1.00 58.52 22 A 1 ATOM 182 C C . LYS A 1 22 ? 7.177 22.192 10.558 1.00 58.18 22 A 1 ATOM 183 O O . LYS A 1 22 ? 6.675 21.836 11.627 1.00 55.08 22 A 1 ATOM 184 C CB . LYS A 1 22 ? 5.280 23.547 9.652 1.00 56.64 22 A 1 ATOM 185 C CG . LYS A 1 22 ? 4.768 24.972 9.447 1.00 51.20 22 A 1 ATOM 186 C CD . LYS A 1 22 ? 3.255 24.937 9.249 1.00 47.61 22 A 1 ATOM 187 C CE . LYS A 1 22 ? 2.792 26.340 8.862 1.00 43.51 22 A 1 ATOM 188 N NZ . LYS A 1 22 ? 1.834 26.263 7.751 1.00 37.15 22 A 1 ATOM 189 N N . ALA A 1 23 ? 8.032 21.440 9.884 1.00 66.23 23 A 1 ATOM 190 C CA . ALA A 1 23 ? 8.554 20.205 10.443 1.00 65.25 23 A 1 ATOM 191 C C . ALA A 1 23 ? 9.526 20.544 11.585 1.00 67.21 23 A 1 ATOM 192 O O . ALA A 1 23 ? 10.435 21.352 11.416 1.00 64.24 23 A 1 ATOM 193 C CB . ALA A 1 23 ? 9.200 19.374 9.328 1.00 59.99 23 A 1 ATOM 194 N N . VAL A 1 24 ? 9.355 19.908 12.747 1.00 74.26 24 A 1 ATOM 195 C CA . VAL A 1 24 ? 10.403 19.906 13.779 1.00 76.11 24 A 1 ATOM 196 C C . VAL A 1 24 ? 11.679 19.416 13.100 1.00 79.25 24 A 1 ATOM 197 O O . VAL A 1 24 ? 11.684 18.325 12.528 1.00 76.13 24 A 1 ATOM 198 C CB . VAL A 1 24 ? 10.029 18.998 14.967 1.00 70.61 24 A 1 ATOM 199 C CG1 . VAL A 1 24 ? 11.137 18.958 16.025 1.00 63.20 24 A 1 ATOM 200 C CG2 . VAL A 1 24 ? 8.742 19.489 15.647 1.00 63.73 24 A 1 ATOM 201 N N . GLN A 1 25 ? 12.728 20.238 13.086 1.00 83.95 25 A 1 ATOM 202 C CA . GLN A 1 25 ? 13.974 19.885 12.415 1.00 86.11 25 A 1 ATOM 203 C C . GLN A 1 25 ? 14.553 18.623 13.050 1.00 87.39 25 A 1 ATOM 204 O O . GLN A 1 25 ? 14.869 18.613 14.240 1.00 85.84 25 A 1 ATOM 205 C CB . GLN A 1 25 ? 14.988 21.034 12.464 1.00 82.46 25 A 1 ATOM 206 C CG . GLN A 1 25 ? 14.594 22.203 11.547 1.00 71.72 25 A 1 ATOM 207 C CD . GLN A 1 25 ? 15.700 23.251 11.412 1.00 67.20 25 A 1 ATOM 208 O OE1 . GLN A 1 25 ? 16.722 23.238 12.076 1.00 61.11 25 A 1 ATOM 209 N NE2 . GLN A 1 25 ? 15.534 24.208 10.526 1.00 58.63 25 A 1 ATOM 210 N N . ALA A 1 26 ? 14.672 17.564 12.244 1.00 89.78 26 A 1 ATOM 211 C CA . ALA A 1 26 ? 15.310 16.334 12.684 1.00 90.59 26 A 1 ATOM 212 C C . ALA A 1 26 ? 16.804 16.584 12.916 1.00 91.57 26 A 1 ATOM 213 O O . ALA A 1 26 ? 17.483 17.207 12.098 1.00 90.17 26 A 1 ATOM 214 C CB . ALA A 1 26 ? 15.064 15.225 11.655 1.00 88.56 26 A 1 ATOM 215 N N . THR A 1 27 ? 17.316 16.063 14.017 1.00 90.25 27 A 1 ATOM 216 C CA . THR A 1 27 ? 18.732 16.124 14.376 1.00 90.54 27 A 1 ATOM 217 C C . THR A 1 27 ? 19.474 14.890 13.858 1.00 91.23 27 A 1 ATOM 218 O O . THR A 1 27 ? 18.880 13.872 13.506 1.00 91.55 27 A 1 ATOM 219 C CB . THR A 1 27 ? 18.903 16.264 15.894 1.00 90.53 27 A 1 ATOM 220 O OG1 . THR A 1 27 ? 18.472 15.102 16.551 1.00 89.22 27 A 1 ATOM 221 C CG2 . THR A 1 27 ? 18.154 17.461 16.479 1.00 87.05 27 A 1 ATOM 222 N N . GLU A 1 28 ? 20.798 14.939 13.853 1.00 91.76 28 A 1 ATOM 223 C CA . GLU A 1 28 ? 21.612 13.749 13.555 1.00 91.97 28 A 1 ATOM 224 C C . GLU A 1 28 ? 21.339 12.602 14.543 1.00 92.44 28 A 1 ATOM 225 O O . GLU A 1 28 ? 21.351 11.429 14.166 1.00 92.39 28 A 1 ATOM 226 C CB . GLU A 1 28 ? 23.091 14.163 13.558 1.00 90.58 28 A 1 ATOM 227 C CG . GLU A 1 28 ? 24.014 13.040 13.071 1.00 79.04 28 A 1 ATOM 228 C CD . GLU A 1 28 ? 25.486 13.463 12.972 1.00 74.50 28 A 1 ATOM 229 O OE1 . GLU A 1 28 ? 26.283 12.616 12.505 1.00 67.06 28 A 1 ATOM 230 O OE2 . GLU A 1 28 ? 25.812 14.604 13.364 1.00 68.64 28 A 1 ATOM 231 N N . ALA A 1 29 ? 21.014 12.938 15.801 1.00 92.95 29 A 1 ATOM 232 C CA . ALA A 1 29 ? 20.623 11.957 16.810 1.00 92.56 29 A 1 ATOM 233 C C . ALA A 1 29 ? 19.341 11.205 16.408 1.00 92.51 29 A 1 ATOM 234 O O . ALA A 1 29 ? 19.317 9.979 16.507 1.00 91.52 29 A 1 ATOM 235 C CB . ALA A 1 29 ? 20.481 12.664 18.162 1.00 92.46 29 A 1 ATOM 236 N N . ASP A 1 30 ? 18.336 11.910 15.859 1.00 93.29 30 A 1 ATOM 237 C CA . ASP A 1 30 ? 17.096 11.295 15.370 1.00 91.88 30 A 1 ATOM 238 C C . ASP A 1 30 ? 17.362 10.335 14.205 1.00 92.93 30 A 1 ATOM 239 O O . ASP A 1 30 ? 16.771 9.259 14.119 1.00 92.78 30 A 1 ATOM 240 C CB . ASP A 1 30 ? 16.102 12.374 14.913 1.00 90.94 30 A 1 ATOM 241 C CG . ASP A 1 30 ? 15.741 13.369 16.015 1.00 89.13 30 A 1 ATOM 242 O OD1 . ASP A 1 30 ? 15.302 12.923 17.091 1.00 85.68 30 A 1 ATOM 243 O OD2 . ASP A 1 30 ? 15.952 14.582 15.777 1.00 84.74 30 A 1 ATOM 244 N N . VAL A 1 31 ? 18.290 10.692 13.313 1.00 92.07 31 A 1 ATOM 245 C CA . VAL A 1 31 ? 18.691 9.826 12.191 1.00 92.08 31 A 1 ATOM 246 C C . VAL A 1 31 ? 19.345 8.537 12.697 1.00 92.85 31 A 1 ATOM 247 O O . VAL A 1 31 ? 19.019 7.444 12.223 1.00 93.05 31 A 1 ATOM 248 C CB . VAL A 1 31 ? 19.634 10.576 11.231 1.00 91.19 31 A 1 ATOM 249 C CG1 . VAL A 1 31 ? 20.111 9.677 10.082 1.00 89.28 31 A 1 ATOM 250 C CG2 . VAL A 1 31 ? 18.944 11.788 10.596 1.00 89.48 31 A 1 ATOM 251 N N . ILE A 1 32 ? 20.241 8.653 13.681 1.00 93.11 32 A 1 ATOM 252 C CA . ILE A 1 32 ? 20.907 7.497 14.301 1.00 92.89 32 A 1 ATOM 253 C C . ILE A 1 32 ? 19.890 6.619 15.036 1.00 93.13 32 A 1 ATOM 254 O O . ILE A 1 32 ? 19.924 5.391 14.905 1.00 93.44 32 A 1 ATOM 255 C CB . ILE A 1 32 ? 22.034 7.978 15.248 1.00 92.82 32 A 1 ATOM 256 C CG1 . ILE A 1 32 ? 23.185 8.620 14.438 1.00 90.67 32 A 1 ATOM 257 C CG2 . ILE A 1 32 ? 22.577 6.815 16.099 1.00 90.72 32 A 1 ATOM 258 C CD1 . ILE A 1 32 ? 24.177 9.409 15.301 1.00 84.84 32 A 1 ATOM 259 N N . GLU A 1 33 ? 18.979 7.228 15.792 1.00 93.77 33 A 1 ATOM 260 C CA . GLU A 1 33 ? 17.932 6.517 16.522 1.00 93.63 33 A 1 ATOM 261 C C . GLU A 1 33 ? 16.983 5.792 15.565 1.00 93.55 33 A 1 ATOM 262 O O . GLU A 1 33 ? 16.745 4.592 15.727 1.00 93.97 33 A 1 ATOM 263 C CB . GLU A 1 33 ? 17.190 7.496 17.436 1.00 94.26 33 A 1 ATOM 264 C CG . GLU A 1 33 ? 16.155 6.754 18.295 1.00 89.84 33 A 1 ATOM 265 C CD . GLU A 1 33 ? 15.500 7.623 19.374 1.00 85.40 33 A 1 ATOM 266 O OE1 . GLU A 1 33 ? 14.616 7.065 20.065 1.00 76.50 33 A 1 ATOM 267 O OE2 . GLU A 1 33 ? 15.914 8.786 19.540 1.00 78.04 33 A 1 ATOM 268 N N . TRP A 1 34 ? 16.518 6.466 14.506 1.00 94.53 34 A 1 ATOM 269 C CA . TRP A 1 34 ? 15.690 5.855 13.469 1.00 94.20 34 A 1 ATOM 270 C C . TRP A 1 34 ? 16.377 4.645 12.821 1.00 94.58 34 A 1 ATOM 271 O O . TRP A 1 34 ? 15.750 3.596 12.647 1.00 94.83 34 A 1 ATOM 272 C CB . TRP A 1 34 ? 15.345 6.911 12.414 1.00 93.87 34 A 1 ATOM 273 C CG . TRP A 1 34 ? 14.695 6.351 11.187 1.00 93.02 34 A 1 ATOM 274 C CD1 . TRP A 1 34 ? 13.393 6.026 11.059 1.00 91.18 34 A 1 ATOM 275 C CD2 . TRP A 1 34 ? 15.330 5.976 9.923 1.00 92.15 34 A 1 ATOM 276 N NE1 . TRP A 1 34 ? 13.173 5.481 9.809 1.00 90.00 34 A 1 ATOM 277 C CE2 . TRP A 1 34 ? 14.336 5.420 9.069 1.00 91.05 34 A 1 ATOM 278 C CE3 . TRP A 1 34 ? 16.651 6.041 9.423 1.00 90.32 34 A 1 ATOM 279 C CZ2 . TRP A 1 34 ? 14.631 4.947 7.777 1.00 89.41 34 A 1 ATOM 280 C CZ3 . TRP A 1 34 ? 16.959 5.571 8.129 1.00 88.84 34 A 1 ATOM 281 C CH2 . TRP A 1 34 ? 15.953 5.023 7.308 1.00 87.82 34 A 1 ATOM 282 N N . TYR A 1 35 ? 17.659 4.765 12.498 1.00 94.57 35 A 1 ATOM 283 C CA . TYR A 1 35 ? 18.411 3.660 11.897 1.00 93.97 35 A 1 ATOM 284 C C . TYR A 1 35 ? 18.498 2.442 12.829 1.00 94.81 35 A 1 ATOM 285 O O . TYR A 1 35 ? 18.261 1.309 12.394 1.00 95.11 35 A 1 ATOM 286 C CB . TYR A 1 35 ? 19.805 4.154 11.493 1.00 92.85 35 A 1 ATOM 287 C CG . TYR A 1 35 ? 20.596 3.117 10.719 1.00 88.32 35 A 1 ATOM 288 C CD1 . TYR A 1 35 ? 21.557 2.320 11.376 1.00 81.66 35 A 1 ATOM 289 C CD2 . TYR A 1 35 ? 20.356 2.938 9.343 1.00 81.15 35 A 1 ATOM 290 C CE1 . TYR A 1 35 ? 22.280 1.354 10.652 1.00 77.38 35 A 1 ATOM 291 C CE2 . TYR A 1 35 ? 21.076 1.971 8.617 1.00 77.63 35 A 1 ATOM 292 C CZ . TYR A 1 35 ? 22.042 1.178 9.272 1.00 78.86 35 A 1 ATOM 293 O OH . TYR A 1 35 ? 22.747 0.247 8.571 1.00 76.55 35 A 1 ATOM 294 N N . LYS A 1 36 ? 18.771 2.669 14.126 1.00 93.73 36 A 1 ATOM 295 C CA . LYS A 1 36 ? 18.788 1.607 15.150 1.00 94.13 36 A 1 ATOM 296 C C . LYS A 1 36 ? 17.411 0.965 15.305 1.00 94.98 36 A 1 ATOM 297 O O . LYS A 1 36 ? 17.296 -0.256 15.196 1.00 95.43 36 A 1 ATOM 298 C CB . LYS A 1 36 ? 19.270 2.176 16.492 1.00 94.46 36 A 1 ATOM 299 C CG . LYS A 1 36 ? 20.770 2.492 16.499 1.00 88.87 36 A 1 ATOM 300 C CD . LYS A 1 36 ? 21.135 3.185 17.819 1.00 87.78 36 A 1 ATOM 301 C CE . LYS A 1 36 ? 22.616 3.565 17.857 1.00 80.89 36 A 1 ATOM 302 N NZ . LYS A 1 36 ? 22.931 4.352 19.074 1.00 75.22 36 A 1 ATOM 303 N N . THR A 1 37 ? 16.372 1.786 15.452 1.00 96.48 37 A 1 ATOM 304 C CA . THR A 1 37 ? 14.981 1.334 15.599 1.00 96.40 37 A 1 ATOM 305 C C . THR A 1 37 ? 14.529 0.513 14.393 1.00 96.46 37 A 1 ATOM 306 O O . THR A 1 37 ? 13.913 -0.540 14.551 1.00 96.64 37 A 1 ATOM 307 C CB . THR A 1 37 ? 14.049 2.538 15.798 1.00 96.33 37 A 1 ATOM 308 O OG1 . THR A 1 37 ? 14.440 3.248 16.943 1.00 94.25 37 A 1 ATOM 309 C CG2 . THR A 1 37 ? 12.590 2.130 16.016 1.00 93.73 37 A 1 ATOM 310 N N . LYS A 1 38 ? 14.883 0.922 13.172 1.00 96.08 38 A 1 ATOM 311 C CA . LYS A 1 38 ? 14.599 0.159 11.942 1.00 95.40 38 A 1 ATOM 312 C C . LYS A 1 38 ? 15.251 -1.228 11.969 1.00 96.14 38 A 1 ATOM 313 O O . LYS A 1 38 ? 14.606 -2.212 11.613 1.00 96.53 38 A 1 ATOM 314 C CB . LYS A 1 38 ? 15.052 0.995 10.730 1.00 94.08 38 A 1 ATOM 315 C CG . LYS A 1 38 ? 14.719 0.340 9.378 1.00 89.34 38 A 1 ATOM 316 C CD . LYS A 1 38 ? 15.175 1.258 8.233 1.00 86.11 38 A 1 ATOM 317 C CE . LYS A 1 38 ? 14.885 0.651 6.855 1.00 78.83 38 A 1 ATOM 318 N NZ . LYS A 1 38 ? 15.331 1.563 5.758 1.00 72.42 38 A 1 ATOM 319 N N . ALA A 1 39 ? 16.499 -1.316 12.416 1.00 95.40 39 A 1 ATOM 320 C CA . ALA A 1 39 ? 17.202 -2.597 12.529 1.00 95.32 39 A 1 ATOM 321 C C . ALA A 1 39 ? 16.593 -3.508 13.613 1.00 96.69 39 A 1 ATOM 322 O O . ALA A 1 39 ? 16.462 -4.719 13.413 1.00 97.00 39 A 1 ATOM 323 C CB . ALA A 1 39 ? 18.688 -2.313 12.793 1.00 94.49 39 A 1 ATOM 324 N N . GLU A 1 40 ? 16.181 -2.942 14.746 1.00 96.58 40 A 1 ATOM 325 C CA . GLU A 1 40 ? 15.479 -3.676 15.804 1.00 97.26 40 A 1 ATOM 326 C C . GLU A 1 40 ? 14.104 -4.162 15.348 1.00 97.97 40 A 1 ATOM 327 O O . GLU A 1 40 ? 13.772 -5.331 15.547 1.00 98.11 40 A 1 ATOM 328 C CB . GLU A 1 40 ? 15.340 -2.800 17.051 1.00 97.26 40 A 1 ATOM 329 C CG . GLU A 1 40 ? 16.695 -2.614 17.742 1.00 84.56 40 A 1 ATOM 330 C CD . GLU A 1 40 ? 16.610 -1.761 19.013 1.00 77.37 40 A 1 ATOM 331 O OE1 . GLU A 1 40 ? 17.682 -1.625 19.648 1.00 68.45 40 A 1 ATOM 332 O OE2 . GLU A 1 40 ? 15.496 -1.303 19.348 1.00 70.35 40 A 1 ATOM 333 N N . LEU A 1 41 ? 13.343 -3.307 14.656 1.00 97.97 41 A 1 ATOM 334 C CA . LEU A 1 41 ? 12.049 -3.662 14.079 1.00 98.00 41 A 1 ATOM 335 C C . LEU A 1 41 ? 12.165 -4.861 13.132 1.00 98.24 41 A 1 ATOM 336 O O . LEU A 1 41 ? 11.364 -5.789 13.223 1.00 98.40 41 A 1 ATOM 337 C CB . LEU A 1 41 ? 11.462 -2.426 13.373 1.00 97.64 41 A 1 ATOM 338 C CG . LEU A 1 41 ? 10.097 -2.679 12.704 1.00 94.11 41 A 1 ATOM 339 C CD1 . LEU A 1 41 ? 9.019 -3.073 13.716 1.00 90.08 41 A 1 ATOM 340 C CD2 . LEU A 1 41 ? 9.642 -1.423 11.962 1.00 90.45 41 A 1 ATOM 341 N N . GLN A 1 42 ? 13.178 -4.887 12.270 1.00 97.90 42 A 1 ATOM 342 C CA . GLN A 1 42 ? 13.417 -6.027 11.371 1.00 97.63 42 A 1 ATOM 343 C C . GLN A 1 42 ? 13.667 -7.332 12.141 1.00 98.23 42 A 1 ATOM 344 O O . GLN A 1 42 ? 13.101 -8.376 11.796 1.00 98.38 42 A 1 ATOM 345 C CB . GLN A 1 42 ? 14.613 -5.726 10.457 1.00 96.98 42 A 1 ATOM 346 C CG . GLN A 1 42 ? 14.264 -4.722 9.346 1.00 86.68 42 A 1 ATOM 347 C CD . GLN A 1 42 ? 15.469 -4.376 8.472 1.00 78.90 42 A 1 ATOM 348 O OE1 . GLN A 1 42 ? 16.616 -4.645 8.784 1.00 73.99 42 A 1 ATOM 349 N NE2 . GLN A 1 42 ? 15.256 -3.767 7.327 1.00 68.27 42 A 1 ATOM 350 N N . LYS A 1 43 ? 14.458 -7.278 13.220 1.00 97.43 43 A 1 ATOM 351 C CA . LYS A 1 43 ? 14.711 -8.448 14.083 1.00 97.75 43 A 1 ATOM 352 C C . LYS A 1 43 ? 13.436 -8.913 14.786 1.00 98.25 43 A 1 ATOM 353 O O . LYS A 1 43 ? 13.160 -10.115 14.827 1.00 98.20 43 A 1 ATOM 354 C CB . LYS A 1 43 ? 15.790 -8.122 15.123 1.00 97.53 43 A 1 ATOM 355 C CG . LYS A 1 43 ? 17.184 -7.916 14.512 1.00 92.72 43 A 1 ATOM 356 C CD . LYS A 1 43 ? 18.155 -7.432 15.599 1.00 90.53 43 A 1 ATOM 357 C CE . LYS A 1 43 ? 19.530 -7.114 15.006 1.00 82.71 43 A 1 ATOM 358 N NZ . LYS A 1 43 ? 20.435 -6.525 16.029 1.00 74.61 43 A 1 ATOM 359 N N . LEU A 1 44 ? 12.642 -7.971 15.310 1.00 98.19 44 A 1 ATOM 360 C CA . LEU A 1 44 ? 11.370 -8.272 15.966 1.00 98.24 44 A 1 ATOM 361 C C . LEU A 1 44 ? 10.352 -8.862 14.987 1.00 98.40 44 A 1 ATOM 362 O O . LEU A 1 44 ? 9.712 -9.857 15.317 1.00 98.41 44 A 1 ATOM 363 C CB . LEU A 1 44 ? 10.820 -7.002 16.641 1.00 98.14 44 A 1 ATOM 364 C CG . LEU A 1 44 ? 11.598 -6.561 17.897 1.00 92.44 44 A 1 ATOM 365 C CD1 . LEU A 1 44 ? 11.044 -5.223 18.387 1.00 88.66 44 A 1 ATOM 366 C CD2 . LEU A 1 44 ? 11.482 -7.575 19.040 1.00 90.35 44 A 1 ATOM 367 N N . GLN A 1 45 ? 10.248 -8.318 13.772 1.00 98.18 45 A 1 ATOM 368 C CA . GLN A 1 45 ? 9.378 -8.852 12.720 1.00 98.07 45 A 1 ATOM 369 C C . GLN A 1 45 ? 9.770 -10.276 12.305 1.00 98.25 45 A 1 ATOM 370 O O . GLN A 1 45 ? 8.901 -11.133 12.139 1.00 98.45 45 A 1 ATOM 371 C CB . GLN A 1 45 ? 9.437 -7.934 11.493 1.00 98.08 45 A 1 ATOM 372 C CG . GLN A 1 45 ? 8.629 -6.641 11.679 1.00 92.66 45 A 1 ATOM 373 C CD . GLN A 1 45 ? 8.751 -5.705 10.478 1.00 89.49 45 A 1 ATOM 374 O OE1 . GLN A 1 45 ? 9.646 -5.791 9.657 1.00 82.62 45 A 1 ATOM 375 N NE2 . GLN A 1 45 ? 7.841 -4.772 10.326 1.00 79.48 45 A 1 ATOM 376 N N . ALA A 1 46 ? 11.065 -10.546 12.172 1.00 98.08 46 A 1 ATOM 377 C CA . ALA A 1 46 ? 11.550 -11.896 11.874 1.00 98.01 46 A 1 ATOM 378 C C . ALA A 1 46 ? 11.212 -12.881 13.009 1.00 98.18 46 A 1 ATOM 379 O O . ALA A 1 46 ? 10.739 -13.991 12.754 1.00 98.23 46 A 1 ATOM 380 C CB . ALA A 1 46 ? 13.060 -11.827 11.611 1.00 98.02 46 A 1 ATOM 381 N N . ARG A 1 47 ? 11.385 -12.452 14.268 1.00 98.28 47 A 1 ATOM 382 C CA . ARG A 1 47 ? 11.038 -13.255 15.448 1.00 98.25 47 A 1 ATOM 383 C C . ARG A 1 47 ? 9.534 -13.496 15.555 1.00 98.31 47 A 1 ATOM 384 O O . ARG A 1 47 ? 9.130 -14.635 15.799 1.00 98.14 47 A 1 ATOM 385 C CB . ARG A 1 47 ? 11.603 -12.581 16.703 1.00 98.15 47 A 1 ATOM 386 C CG . ARG A 1 47 ? 11.376 -13.438 17.957 1.00 92.51 47 A 1 ATOM 387 C CD . ARG A 1 47 ? 12.025 -12.774 19.175 1.00 88.09 47 A 1 ATOM 388 N NE . ARG A 1 47 ? 11.827 -13.587 20.395 1.00 77.12 47 A 1 ATOM 389 C CZ . ARG A 1 47 ? 12.331 -13.330 21.591 1.00 69.73 47 A 1 ATOM 390 N NH1 . ARG A 1 47 ? 13.083 -12.287 21.812 1.00 64.14 47 A 1 ATOM 391 N NH2 . ARG A 1 47 ? 12.083 -14.128 22.593 1.00 60.15 47 A 1 ATOM 392 N N . GLU A 1 48 ? 8.703 -12.461 15.357 1.00 98.24 48 A 1 ATOM 393 C CA . GLU A 1 48 ? 7.238 -12.583 15.337 1.00 97.91 48 A 1 ATOM 394 C C . GLU A 1 48 ? 6.809 -13.591 14.269 1.00 97.93 48 A 1 ATOM 395 O O . GLU A 1 48 ? 6.065 -14.522 14.582 1.00 98.26 48 A 1 ATOM 396 C CB . GLU A 1 48 ? 6.596 -11.204 15.106 1.00 98.05 48 A 1 ATOM 397 C CG . GLU A 1 48 ? 5.050 -11.210 15.105 1.00 95.47 48 A 1 ATOM 398 C CD . GLU A 1 48 ? 4.396 -11.736 13.808 1.00 93.55 48 A 1 ATOM 399 O OE1 . GLU A 1 48 ? 3.316 -12.360 13.868 1.00 84.14 48 A 1 ATOM 400 O OE2 . GLU A 1 48 ? 4.966 -11.569 12.705 1.00 87.35 48 A 1 ATOM 401 N N . ARG A 1 49 ? 7.327 -13.468 13.049 1.00 98.48 49 A 1 ATOM 402 C CA . ARG A 1 49 ? 7.008 -14.382 11.946 1.00 98.32 49 A 1 ATOM 403 C C . ARG A 1 49 ? 7.339 -15.830 12.297 1.00 98.21 49 A 1 ATOM 404 O O . ARG A 1 49 ? 6.480 -16.695 12.137 1.00 98.02 49 A 1 ATOM 405 C CB . ARG A 1 49 ? 7.735 -13.914 10.677 1.00 98.10 49 A 1 ATOM 406 C CG . ARG A 1 49 ? 7.361 -14.777 9.459 1.00 88.95 49 A 1 ATOM 407 C CD . ARG A 1 49 ? 8.116 -14.335 8.201 1.00 86.59 49 A 1 ATOM 408 N NE . ARG A 1 49 ? 7.765 -12.952 7.800 1.00 74.34 49 A 1 ATOM 409 C CZ . ARG A 1 49 ? 7.392 -12.548 6.600 1.00 64.97 49 A 1 ATOM 410 N NH1 . ARG A 1 49 ? 7.279 -13.373 5.589 1.00 61.53 49 A 1 ATOM 411 N NH2 . ARG A 1 49 ? 7.131 -11.293 6.380 1.00 55.98 49 A 1 ATOM 412 N N . ALA A 1 50 ? 8.524 -16.084 12.839 1.00 98.13 50 A 1 ATOM 413 C CA . ALA A 1 50 ? 8.929 -17.433 13.238 1.00 97.96 50 A 1 ATOM 414 C C . ALA A 1 50 ? 8.021 -18.023 14.335 1.00 98.03 50 A 1 ATOM 415 O O . ALA A 1 50 ? 7.641 -19.194 14.273 1.00 97.69 50 A 1 ATOM 416 C CB . ALA A 1 50 ? 10.393 -17.382 13.693 1.00 98.12 50 A 1 ATOM 417 N N . LEU A 1 51 ? 7.633 -17.209 15.325 1.00 98.31 51 A 1 ATOM 418 C CA . LEU A 1 51 ? 6.695 -17.622 16.373 1.00 97.87 51 A 1 ATOM 419 C C . LEU A 1 51 ? 5.302 -17.888 15.801 1.00 97.50 51 A 1 ATOM 420 O O . LEU A 1 51 ? 4.712 -18.924 16.103 1.00 97.51 51 A 1 ATOM 421 C CB . LEU A 1 51 ? 6.629 -16.546 17.470 1.00 98.05 51 A 1 ATOM 422 C CG . LEU A 1 51 ? 7.884 -16.456 18.353 1.00 96.16 51 A 1 ATOM 423 C CD1 . LEU A 1 51 ? 7.778 -15.233 19.262 1.00 93.22 51 A 1 ATOM 424 C CD2 . LEU A 1 51 ? 8.064 -17.696 19.233 1.00 94.14 51 A 1 ATOM 425 N N . ARG A 1 52 ? 4.802 -17.002 14.939 1.00 97.80 52 A 1 ATOM 426 C CA . ARG A 1 52 ? 3.504 -17.147 14.273 1.00 97.36 52 A 1 ATOM 427 C C . ARG A 1 52 ? 3.453 -18.413 13.423 1.00 97.15 52 A 1 ATOM 428 O O . ARG A 1 52 ? 2.501 -19.178 13.536 1.00 97.19 52 A 1 ATOM 429 C CB . ARG A 1 52 ? 3.219 -15.873 13.479 1.00 96.79 52 A 1 ATOM 430 C CG . ARG A 1 52 ? 1.920 -15.956 12.661 1.00 95.18 52 A 1 ATOM 431 C CD . ARG A 1 52 ? 1.413 -14.590 12.217 1.00 94.06 52 A 1 ATOM 432 N NE . ARG A 1 52 ? 2.468 -13.686 11.741 1.00 88.70 52 A 1 ATOM 433 C CZ . ARG A 1 52 ? 2.970 -13.573 10.533 1.00 89.36 52 A 1 ATOM 434 N NH1 . ARG A 1 52 ? 2.513 -14.252 9.521 1.00 79.20 52 A 1 ATOM 435 N NH2 . ARG A 1 52 ? 3.954 -12.744 10.348 1.00 81.01 52 A 1 ATOM 436 N N . ASP A 1 53 ? 4.494 -18.689 12.649 1.00 97.91 53 A 1 ATOM 437 C CA . ASP A 1 53 ? 4.581 -19.908 11.838 1.00 97.53 53 A 1 ATOM 438 C C . ASP A 1 53 ? 4.586 -21.172 12.705 1.00 97.47 53 A 1 ATOM 439 O O . ASP A 1 53 ? 3.924 -22.162 12.383 1.00 97.11 53 A 1 ATOM 440 C CB . ASP A 1 53 ? 5.848 -19.866 10.964 1.00 97.13 53 A 1 ATOM 441 C CG . ASP A 1 53 ? 5.811 -18.822 9.843 1.00 91.19 53 A 1 ATOM 442 O OD1 . ASP A 1 53 ? 4.725 -18.255 9.576 1.00 86.15 53 A 1 ATOM 443 O OD2 . ASP A 1 53 ? 6.884 -18.618 9.231 1.00 85.61 53 A 1 ATOM 444 N N . LYS A 1 54 ? 5.286 -21.140 13.853 1.00 97.08 54 A 1 ATOM 445 C CA . LYS A 1 54 ? 5.270 -22.235 14.834 1.00 96.95 54 A 1 ATOM 446 C C . LYS A 1 54 ? 3.872 -22.443 15.416 1.00 96.85 54 A 1 ATOM 447 O O . LYS A 1 54 ? 3.402 -23.577 15.461 1.00 96.43 54 A 1 ATOM 448 C CB . LYS A 1 54 ? 6.320 -21.968 15.925 1.00 97.02 54 A 1 ATOM 449 C CG . LYS A 1 54 ? 6.425 -23.133 16.923 1.00 91.16 54 A 1 ATOM 450 C CD . LYS A 1 54 ? 7.496 -22.859 17.988 1.00 91.13 54 A 1 ATOM 451 C CE . LYS A 1 54 ? 7.549 -24.039 18.971 1.00 83.27 54 A 1 ATOM 452 N NZ . LYS A 1 54 ? 8.568 -23.835 20.035 1.00 76.65 54 A 1 ATOM 453 N N . ILE A 1 55 ? 3.198 -21.360 15.820 1.00 97.15 55 A 1 ATOM 454 C CA . ILE A 1 55 ? 1.832 -21.399 16.353 1.00 96.26 55 A 1 ATOM 455 C C . ILE A 1 55 ? 0.870 -21.966 15.308 1.00 96.04 55 A 1 ATOM 456 O O . ILE A 1 55 ? 0.133 -22.900 15.607 1.00 95.79 55 A 1 ATOM 457 C CB . ILE A 1 55 ? 1.409 -19.995 16.842 1.00 95.84 55 A 1 ATOM 458 C CG1 . ILE A 1 55 ? 2.195 -19.611 18.119 1.00 95.42 55 A 1 ATOM 459 C CG2 . ILE A 1 55 ? -0.102 -19.923 17.117 1.00 95.23 55 A 1 ATOM 460 C CD1 . ILE A 1 55 ? 2.120 -18.119 18.465 1.00 93.13 55 A 1 ATOM 461 N N . ILE A 1 56 ? 0.910 -21.459 14.073 1.00 96.90 56 A 1 ATOM 462 C CA . ILE A 1 56 ? 0.046 -21.928 12.985 1.00 96.70 56 A 1 ATOM 463 C C . ILE A 1 56 ? 0.232 -23.427 12.752 1.00 96.75 56 A 1 ATOM 464 O O . ILE A 1 56 ? -0.750 -24.159 12.733 1.00 96.71 56 A 1 ATOM 465 C CB . ILE A 1 56 ? 0.290 -21.100 11.703 1.00 96.44 56 A 1 ATOM 466 C CG1 . ILE A 1 56 ? -0.295 -19.680 11.889 1.00 95.60 56 A 1 ATOM 467 C CG2 . ILE A 1 56 ? -0.329 -21.774 10.465 1.00 95.74 56 A 1 ATOM 468 C CD1 . ILE A 1 56 ? 0.108 -18.688 10.792 1.00 92.03 56 A 1 ATOM 469 N N . LYS A 1 57 ? 1.461 -23.906 12.646 1.00 97.00 57 A 1 ATOM 470 C CA . LYS A 1 57 ? 1.744 -25.338 12.448 1.00 96.51 57 A 1 ATOM 471 C C . LYS A 1 57 ? 1.252 -26.214 13.602 1.00 96.63 57 A 1 ATOM 472 O O . LYS A 1 57 ? 0.839 -27.340 13.365 1.00 96.24 57 A 1 ATOM 473 C CB . LYS A 1 57 ? 3.248 -25.543 12.240 1.00 96.44 57 A 1 ATOM 474 C CG . LYS A 1 57 ? 3.706 -25.050 10.861 1.00 93.68 57 A 1 ATOM 475 C CD . LYS A 1 57 ? 5.232 -25.132 10.745 1.00 90.10 57 A 1 ATOM 476 C CE . LYS A 1 57 ? 5.671 -24.576 9.389 1.00 85.61 57 A 1 ATOM 477 N NZ . LYS A 1 57 ? 7.144 -24.622 9.224 1.00 76.71 57 A 1 ATOM 478 N N . SER A 1 58 ? 1.295 -25.702 14.839 1.00 96.76 58 A 1 ATOM 479 C CA . SER A 1 58 ? 0.888 -26.460 16.023 1.00 96.41 58 A 1 ATOM 480 C C . SER A 1 58 ? -0.630 -26.490 16.219 1.00 96.47 58 A 1 ATOM 481 O O . SER A 1 58 ? -1.175 -27.528 16.566 1.00 95.58 58 A 1 ATOM 482 C CB . SER A 1 58 ? 1.553 -25.887 17.278 1.00 96.11 58 A 1 ATOM 483 O OG . SER A 1 58 ? 2.965 -25.992 17.196 1.00 88.35 58 A 1 ATOM 484 N N . TYR A 1 59 ? -1.312 -25.360 16.011 1.00 96.61 59 A 1 ATOM 485 C CA . TYR A 1 59 ? -2.744 -25.216 16.299 1.00 96.39 59 A 1 ATOM 486 C C . TYR A 1 59 ? -3.637 -25.441 15.071 1.00 96.61 59 A 1 ATOM 487 O O . TYR A 1 59 ? -4.819 -25.735 15.225 1.00 95.84 59 A 1 ATOM 488 C CB . TYR A 1 59 ? -3.002 -23.841 16.925 1.00 96.32 59 A 1 ATOM 489 C CG . TYR A 1 59 ? -2.548 -23.719 18.370 1.00 96.28 59 A 1 ATOM 490 C CD1 . TYR A 1 59 ? -3.456 -24.003 19.411 1.00 93.43 59 A 1 ATOM 491 C CD2 . TYR A 1 59 ? -1.231 -23.329 18.681 1.00 93.88 59 A 1 ATOM 492 C CE1 . TYR A 1 59 ? -3.050 -23.888 20.756 1.00 92.90 59 A 1 ATOM 493 C CE2 . TYR A 1 59 ? -0.820 -23.218 20.024 1.00 93.52 59 A 1 ATOM 494 C CZ . TYR A 1 59 ? -1.732 -23.493 21.065 1.00 94.51 59 A 1 ATOM 495 O OH . TYR A 1 59 ? -1.340 -23.375 22.361 1.00 93.14 59 A 1 ATOM 496 N N . PHE A 1 60 ? -3.090 -25.325 13.863 1.00 96.81 60 A 1 ATOM 497 C CA . PHE A 1 60 ? -3.822 -25.467 12.605 1.00 96.58 60 A 1 ATOM 498 C C . PHE A 1 60 ? -3.086 -26.429 11.649 1.00 96.61 60 A 1 ATOM 499 O O . PHE A 1 60 ? -2.619 -26.000 10.594 1.00 95.70 60 A 1 ATOM 500 C CB . PHE A 1 60 ? -4.046 -24.084 11.983 1.00 96.55 60 A 1 ATOM 501 C CG . PHE A 1 60 ? -4.740 -23.076 12.881 1.00 97.17 60 A 1 ATOM 502 C CD1 . PHE A 1 60 ? -6.142 -23.028 12.937 1.00 95.76 60 A 1 ATOM 503 C CD2 . PHE A 1 60 ? -3.979 -22.177 13.651 1.00 96.24 60 A 1 ATOM 504 C CE1 . PHE A 1 60 ? -6.786 -22.076 13.749 1.00 95.64 60 A 1 ATOM 505 C CE2 . PHE A 1 60 ? -4.621 -21.226 14.470 1.00 96.07 60 A 1 ATOM 506 C CZ . PHE A 1 60 ? -6.024 -21.173 14.514 1.00 96.73 60 A 1 ATOM 507 N N . PRO A 1 61 ? -2.952 -27.722 11.997 1.00 96.61 61 A 1 ATOM 508 C CA . PRO A 1 61 ? -2.159 -28.674 11.207 1.00 95.97 61 A 1 ATOM 509 C C . PRO A 1 61 ? -2.755 -28.986 9.825 1.00 96.02 61 A 1 ATOM 510 O O . PRO A 1 61 ? -2.020 -29.340 8.909 1.00 94.29 61 A 1 ATOM 511 C CB . PRO A 1 61 ? -2.072 -29.932 12.081 1.00 95.35 61 A 1 ATOM 512 C CG . PRO A 1 61 ? -3.331 -29.858 12.946 1.00 94.69 61 A 1 ATOM 513 C CD . PRO A 1 61 ? -3.485 -28.362 13.191 1.00 96.54 61 A 1 ATOM 514 N N . ALA A 1 62 ? -4.082 -28.843 9.661 1.00 96.27 62 A 1 ATOM 515 C CA . ALA A 1 62 ? -4.801 -29.072 8.407 1.00 95.92 62 A 1 ATOM 516 C C . ALA A 1 62 ? -5.841 -27.958 8.166 1.00 96.18 62 A 1 ATOM 517 O O . ALA A 1 62 ? -7.040 -28.184 8.326 1.00 94.39 62 A 1 ATOM 518 C CB . ALA A 1 62 ? -5.417 -30.477 8.453 1.00 94.85 62 A 1 ATOM 519 N N . PRO A 1 63 ? -5.402 -26.722 7.852 1.00 96.43 63 A 1 ATOM 520 C CA . PRO A 1 63 ? -6.319 -25.602 7.690 1.00 96.12 63 A 1 ATOM 521 C C . PRO A 1 63 ? -7.118 -25.706 6.386 1.00 96.54 63 A 1 ATOM 522 O O . PRO A 1 63 ? -6.570 -26.019 5.327 1.00 95.82 63 A 1 ATOM 523 C CB . PRO A 1 63 ? -5.433 -24.360 7.722 1.00 95.15 63 A 1 ATOM 524 C CG . PRO A 1 63 ? -4.108 -24.853 7.146 1.00 94.25 63 A 1 ATOM 525 C CD . PRO A 1 63 ? -4.031 -26.301 7.630 1.00 95.74 63 A 1 ATOM 526 N N . SER A 1 64 ? -8.401 -25.355 6.441 1.00 96.52 64 A 1 ATOM 527 C CA . SER A 1 64 ? -9.214 -25.084 5.254 1.00 96.51 64 A 1 ATOM 528 C C . SER A 1 64 ? -9.005 -23.646 4.758 1.00 96.76 64 A 1 ATOM 529 O O . SER A 1 64 ? -8.641 -22.753 5.529 1.00 95.43 64 A 1 ATOM 530 C CB . SER A 1 64 ? -10.693 -25.361 5.538 1.00 95.34 64 A 1 ATOM 531 O OG . SER A 1 64 ? -11.164 -24.587 6.620 1.00 84.26 64 A 1 ATOM 532 N N . GLU A 1 65 ? -9.257 -23.394 3.475 1.00 95.88 65 A 1 ATOM 533 C CA . GLU A 1 65 ? -9.284 -22.023 2.952 1.00 96.20 65 A 1 ATOM 534 C C . GLU A 1 65 ? -10.322 -21.183 3.704 1.00 96.22 65 A 1 ATOM 535 O O . GLU A 1 65 ? -11.427 -21.637 3.996 1.00 94.29 65 A 1 ATOM 536 C CB . GLU A 1 65 ? -9.539 -22.032 1.434 1.00 95.23 65 A 1 ATOM 537 C CG . GLU A 1 65 ? -9.446 -20.617 0.827 1.00 93.15 65 A 1 ATOM 538 C CD . GLU A 1 65 ? -9.525 -20.589 -0.709 1.00 93.27 65 A 1 ATOM 539 O OE1 . GLU A 1 65 ? -9.352 -19.495 -1.303 1.00 86.50 65 A 1 ATOM 540 O OE2 . GLU A 1 65 ? -9.702 -21.641 -1.361 1.00 88.57 65 A 1 ATOM 541 N N . GLY A 1 66 ? -9.963 -19.935 4.029 1.00 96.36 66 A 1 ATOM 542 C CA . GLY A 1 66 ? -10.787 -19.028 4.817 1.00 95.82 66 A 1 ATOM 543 C C . GLY A 1 66 ? -10.391 -18.979 6.292 1.00 96.32 66 A 1 ATOM 544 O O . GLY A 1 66 ? -9.225 -19.149 6.661 1.00 95.22 66 A 1 ATOM 545 N N . THR A 1 67 ? -11.357 -18.655 7.155 1.00 96.34 67 A 1 ATOM 546 C CA . THR A 1 67 ? -11.101 -18.444 8.585 1.00 96.70 67 A 1 ATOM 547 C C . THR A 1 67 ? -11.207 -19.747 9.371 1.00 97.03 67 A 1 ATOM 548 O O . THR A 1 67 ? -12.292 -20.297 9.535 1.00 96.55 67 A 1 ATOM 549 C CB . THR A 1 67 ? -12.030 -17.387 9.187 1.00 96.06 67 A 1 ATOM 550 O OG1 . THR A 1 67 ? -11.883 -16.170 8.498 1.00 93.56 67 A 1 ATOM 551 C CG2 . THR A 1 67 ? -11.713 -17.092 10.658 1.00 93.06 67 A 1 ATOM 552 N N . ASN A 1 68 ? -10.092 -20.156 9.960 1.00 96.82 68 A 1 ATOM 553 C CA . ASN A 1 68 ? -9.972 -21.283 10.872 1.00 96.87 68 A 1 ATOM 554 C C . ASN A 1 68 ? -9.946 -20.760 12.309 1.00 97.38 68 A 1 ATOM 555 O O . ASN A 1 68 ? -9.367 -19.701 12.575 1.00 96.87 68 A 1 ATOM 556 C CB . ASN A 1 68 ? -8.707 -22.068 10.516 1.00 96.59 68 A 1 ATOM 557 C CG . ASN A 1 68 ? -8.754 -22.639 9.116 1.00 96.78 68 A 1 ATOM 558 O OD1 . ASN A 1 68 ? -9.095 -23.790 8.921 1.00 90.33 68 A 1 ATOM 559 N ND2 . ASN A 1 68 ? -8.442 -21.854 8.109 1.00 91.30 68 A 1 ATOM 560 N N . LYS A 1 69 ? -10.579 -21.487 13.234 1.00 96.57 69 A 1 ATOM 561 C CA . LYS A 1 69 ? -10.699 -21.080 14.641 1.00 96.56 69 A 1 ATOM 562 C C . LYS A 1 69 ? -10.309 -22.227 15.561 1.00 96.49 69 A 1 ATOM 563 O O . LYS A 1 69 ? -10.694 -23.361 15.319 1.00 95.93 69 A 1 ATOM 564 C CB . LYS A 1 69 ? -12.125 -20.611 14.960 1.00 95.49 69 A 1 ATOM 565 C CG . LYS A 1 69 ? -12.581 -19.405 14.126 1.00 92.63 69 A 1 ATOM 566 C CD . LYS A 1 69 ? -14.010 -19.010 14.507 1.00 92.09 69 A 1 ATOM 567 C CE . LYS A 1 69 ? -14.543 -17.910 13.588 1.00 85.10 69 A 1 ATOM 568 N NZ . LYS A 1 69 ? -16.008 -17.727 13.775 1.00 78.09 69 A 1 ATOM 569 N N . VAL A 1 70 ? -9.594 -21.892 16.643 1.00 96.58 70 A 1 ATOM 570 C CA . VAL A 1 70 ? -9.251 -22.823 17.721 1.00 96.10 70 A 1 ATOM 571 C C . VAL A 1 70 ? -9.498 -22.125 19.052 1.00 96.36 70 A 1 ATOM 572 O O . VAL A 1 70 ? -9.099 -20.974 19.235 1.00 95.72 70 A 1 ATOM 573 C CB . VAL A 1 70 ? -7.796 -23.315 17.591 1.00 94.57 70 A 1 ATOM 574 C CG1 . VAL A 1 70 ? -7.345 -24.143 18.797 1.00 85.50 70 A 1 ATOM 575 C CG2 . VAL A 1 70 ? -7.633 -24.204 16.349 1.00 86.22 70 A 1 ATOM 576 N N . GLU A 1 71 ? -10.180 -22.801 19.972 1.00 94.90 71 A 1 ATOM 577 C CA . GLU A 1 71 ? -10.365 -22.306 21.332 1.00 94.21 71 A 1 ATOM 578 C C . GLU A 1 71 ? -9.066 -22.459 22.123 1.00 93.87 71 A 1 ATOM 579 O O . GLU A 1 71 ? -8.387 -23.481 22.064 1.00 92.00 71 A 1 ATOM 580 C CB . GLU A 1 71 ? -11.531 -23.017 22.028 1.00 93.35 71 A 1 ATOM 581 C CG . GLU A 1 71 ? -12.864 -22.696 21.333 1.00 86.86 71 A 1 ATOM 582 C CD . GLU A 1 71 ? -14.094 -23.221 22.079 1.00 80.69 71 A 1 ATOM 583 O OE1 . GLU A 1 71 ? -15.206 -22.822 21.654 1.00 71.62 71 A 1 ATOM 584 O OE2 . GLU A 1 71 ? -13.922 -23.981 23.052 1.00 72.54 71 A 1 ATOM 585 N N . ILE A 1 72 ? -8.723 -21.405 22.863 1.00 92.56 72 A 1 ATOM 586 C CA . ILE A 1 72 ? -7.578 -21.366 23.766 1.00 91.81 72 A 1 ATOM 587 C C . ILE A 1 72 ? -8.039 -20.831 25.116 1.00 91.87 72 A 1 ATOM 588 O O . ILE A 1 72 ? -9.089 -20.195 25.226 1.00 90.90 72 A 1 ATOM 589 C CB . ILE A 1 72 ? -6.411 -20.533 23.179 1.00 91.17 72 A 1 ATOM 590 C CG1 . ILE A 1 72 ? -6.813 -19.067 22.892 1.00 89.70 72 A 1 ATOM 591 C CG2 . ILE A 1 72 ? -5.847 -21.218 21.921 1.00 88.64 72 A 1 ATOM 592 C CD1 . ILE A 1 72 ? -5.622 -18.144 22.580 1.00 87.75 72 A 1 ATOM 593 N N . THR A 1 73 ? -7.261 -21.041 26.164 1.00 90.90 73 A 1 ATOM 594 C CA . THR A 1 73 ? -7.550 -20.466 27.477 1.00 90.14 73 A 1 ATOM 595 C C . THR A 1 73 ? -7.696 -18.948 27.370 1.00 89.66 73 A 1 ATOM 596 O O . THR A 1 73 ? -6.763 -18.253 26.980 1.00 85.21 73 A 1 ATOM 597 C CB . THR A 1 73 ? -6.454 -20.817 28.488 1.00 89.29 73 A 1 ATOM 598 O OG1 . THR A 1 73 ? -6.216 -22.204 28.461 1.00 82.07 73 A 1 ATOM 599 C CG2 . THR A 1 73 ? -6.848 -20.449 29.915 1.00 77.60 73 A 1 ATOM 600 N N . GLY A 1 74 ? -8.887 -18.425 27.699 1.00 88.63 74 A 1 ATOM 601 C CA . GLY A 1 74 ? -9.189 -16.995 27.662 1.00 88.50 74 A 1 ATOM 602 C C . GLY A 1 74 ? -9.635 -16.436 26.302 1.00 90.92 74 A 1 ATOM 603 O O . GLY A 1 74 ? -9.802 -15.222 26.196 1.00 86.29 74 A 1 ATOM 604 N N . GLY A 1 75 ? -9.862 -17.258 25.268 1.00 92.72 75 A 1 ATOM 605 C CA . GLY A 1 75 ? -10.404 -16.746 24.010 1.00 93.22 75 A 1 ATOM 606 C C . GLY A 1 75 ? -10.363 -17.712 22.829 1.00 95.01 75 A 1 ATOM 607 O O . GLY A 1 75 ? -10.228 -18.921 22.969 1.00 93.19 75 A 1 ATOM 608 N N . VAL A 1 76 ? -10.496 -17.151 21.620 1.00 94.13 76 A 1 ATOM 609 C CA . VAL A 1 76 ? -10.474 -17.887 20.354 1.00 94.88 76 A 1 ATOM 610 C C . VAL A 1 76 ? -9.344 -17.359 19.481 1.00 95.02 76 A 1 ATOM 611 O O . VAL A 1 76 ? -9.322 -16.181 19.121 1.00 93.86 76 A 1 ATOM 612 C CB . VAL A 1 76 ? -11.826 -17.799 19.624 1.00 93.25 76 A 1 ATOM 613 C CG1 . VAL A 1 76 ? -11.806 -18.596 18.310 1.00 87.58 76 A 1 ATOM 614 C CG2 . VAL A 1 76 ? -12.977 -18.336 20.477 1.00 87.91 76 A 1 ATOM 615 N N . MET A 1 77 ? -8.439 -18.242 19.093 1.00 95.70 77 A 1 ATOM 616 C CA . MET A 1 77 ? -7.418 -17.958 18.092 1.00 95.50 77 A 1 ATOM 617 C C . MET A 1 77 ? -8.019 -18.117 16.696 1.00 96.20 77 A 1 ATOM 618 O O . MET A 1 77 ? -8.641 -19.132 16.388 1.00 95.87 77 A 1 ATOM 619 C CB . MET A 1 77 ? -6.224 -18.885 18.318 1.00 93.25 77 A 1 ATOM 620 C CG . MET A 1 77 ? -5.029 -18.509 17.433 1.00 86.87 77 A 1 ATOM 621 S SD . MET A 1 77 ? -3.585 -19.582 17.641 1.00 89.62 77 A 1 ATOM 622 C CE . MET A 1 77 ? -3.140 -19.258 19.363 1.00 81.14 77 A 1 ATOM 623 N N . LYS A 1 78 ? -7.830 -17.109 15.834 1.00 95.91 78 A 1 ATOM 624 C CA . LYS A 1 78 ? -8.309 -17.097 14.446 1.00 95.74 78 A 1 ATOM 625 C C . LYS A 1 78 ? -7.123 -17.022 13.494 1.00 95.49 78 A 1 ATOM 626 O O . LYS A 1 78 ? -6.282 -16.140 13.626 1.00 95.24 78 A 1 ATOM 627 C CB . LYS A 1 78 ? -9.278 -15.929 14.204 1.00 94.77 78 A 1 ATOM 628 C CG . LYS A 1 78 ? -10.541 -16.000 15.074 1.00 90.53 78 A 1 ATOM 629 C CD . LYS A 1 78 ? -11.483 -14.831 14.769 1.00 90.24 78 A 1 ATOM 630 C CE . LYS A 1 78 ? -12.697 -14.868 15.705 1.00 82.53 78 A 1 ATOM 631 N NZ . LYS A 1 78 ? -13.530 -13.646 15.583 1.00 75.81 78 A 1 ATOM 632 N N . MET A 1 79 ? -7.096 -17.913 12.526 1.00 96.19 79 A 1 ATOM 633 C CA . MET A 1 79 ? -6.118 -17.912 11.445 1.00 96.08 79 A 1 ATOM 634 C C . MET A 1 79 ? -6.860 -17.875 10.113 1.00 96.33 79 A 1 ATOM 635 O O . MET A 1 79 ? -7.755 -18.681 9.881 1.00 96.02 79 A 1 ATOM 636 C CB . MET A 1 79 ? -5.200 -19.136 11.601 1.00 94.77 79 A 1 ATOM 637 C CG . MET A 1 79 ? -4.125 -19.222 10.508 1.00 92.15 79 A 1 ATOM 638 S SD . MET A 1 79 ? -4.646 -20.012 8.959 1.00 89.85 79 A 1 ATOM 639 C CE . MET A 1 79 ? -4.669 -21.741 9.493 1.00 79.80 79 A 1 ATOM 640 N N . THR A 1 80 ? -6.509 -16.936 9.239 1.00 96.65 80 A 1 ATOM 641 C CA . THR A 1 80 ? -7.066 -16.865 7.882 1.00 96.18 80 A 1 ATOM 642 C C . THR A 1 80 ? -6.092 -17.515 6.909 1.00 96.00 80 A 1 ATOM 643 O O . THR A 1 80 ? -5.034 -16.956 6.628 1.00 94.94 80 A 1 ATOM 644 C CB . THR A 1 80 ? -7.389 -15.425 7.474 1.00 95.45 80 A 1 ATOM 645 O OG1 . THR A 1 80 ? -8.271 -14.848 8.411 1.00 92.35 80 A 1 ATOM 646 C CG2 . THR A 1 80 ? -8.078 -15.355 6.112 1.00 91.33 80 A 1 ATOM 647 N N . HIS A 1 81 ? -6.464 -18.684 6.400 1.00 95.99 81 A 1 ATOM 648 C CA . HIS A 1 81 ? -5.712 -19.376 5.364 1.00 95.52 81 A 1 ATOM 649 C C . HIS A 1 81 ? -6.148 -18.863 3.989 1.00 95.71 81 A 1 ATOM 650 O O . HIS A 1 81 ? -7.302 -19.025 3.598 1.00 94.75 81 A 1 ATOM 651 C CB . HIS A 1 81 ? -5.908 -20.887 5.506 1.00 94.52 81 A 1 ATOM 652 C CG . HIS A 1 81 ? -5.000 -21.671 4.594 1.00 94.70 81 A 1 ATOM 653 N ND1 . HIS A 1 81 ? -3.627 -21.597 4.562 1.00 86.12 81 A 1 ATOM 654 C CD2 . HIS A 1 81 ? -5.385 -22.575 3.645 1.00 87.29 81 A 1 ATOM 655 C CE1 . HIS A 1 81 ? -3.194 -22.443 3.611 1.00 88.49 81 A 1 ATOM 656 N NE2 . HIS A 1 81 ? -4.231 -23.063 3.036 1.00 90.04 81 A 1 ATOM 657 N N . LYS A 1 82 ? -5.242 -18.203 3.282 1.00 95.31 82 A 1 ATOM 658 C CA . LYS A 1 82 ? -5.484 -17.666 1.939 1.00 94.89 82 A 1 ATOM 659 C C . LYS A 1 82 ? -4.772 -18.533 0.912 1.00 95.24 82 A 1 ATOM 660 O O . LYS A 1 82 ? -3.647 -18.964 1.148 1.00 93.95 82 A 1 ATOM 661 C CB . LYS A 1 82 ? -5.020 -16.211 1.840 1.00 92.98 82 A 1 ATOM 662 C CG . LYS A 1 82 ? -5.803 -15.277 2.777 1.00 85.51 82 A 1 ATOM 663 C CD . LYS A 1 82 ? -5.360 -13.827 2.564 1.00 83.21 82 A 1 ATOM 664 C CE . LYS A 1 82 ? -6.134 -12.888 3.491 1.00 73.58 82 A 1 ATOM 665 N NZ . LYS A 1 82 ? -5.746 -11.478 3.258 1.00 65.62 82 A 1 ATOM 666 N N . ILE A 1 83 ? -5.428 -18.748 -0.211 1.00 93.88 83 A 1 ATOM 667 C CA . ILE A 1 83 ? -4.830 -19.394 -1.378 1.00 93.29 83 A 1 ATOM 668 C C . ILE A 1 83 ? -4.722 -18.336 -2.469 1.00 93.22 83 A 1 ATOM 669 O O . ILE A 1 83 ? -5.740 -17.862 -2.983 1.00 92.44 83 A 1 ATOM 670 C CB . ILE A 1 83 ? -5.636 -20.633 -1.818 1.00 92.77 83 A 1 ATOM 671 C CG1 . ILE A 1 83 ? -5.710 -21.661 -0.661 1.00 91.14 83 A 1 ATOM 672 C CG2 . ILE A 1 83 ? -4.994 -21.251 -3.074 1.00 90.60 83 A 1 ATOM 673 C CD1 . ILE A 1 83 ? -6.513 -22.920 -0.978 1.00 85.23 83 A 1 ATOM 674 N N . ASP A 1 84 ? -3.495 -17.972 -2.812 1.00 94.85 84 A 1 ATOM 675 C CA . ASP A 1 84 ? -3.233 -17.043 -3.899 1.00 94.35 84 A 1 ATOM 676 C C . ASP A 1 84 ? -3.398 -17.767 -5.237 1.00 94.60 84 A 1 ATOM 677 O O . ASP A 1 84 ? -2.682 -18.721 -5.550 1.00 93.46 84 A 1 ATOM 678 C CB . ASP A 1 84 ? -1.842 -16.415 -3.750 1.00 92.78 84 A 1 ATOM 679 C CG . ASP A 1 84 ? -1.759 -15.453 -2.553 1.00 82.65 84 A 1 ATOM 680 O OD1 . ASP A 1 84 ? -2.767 -14.755 -2.283 1.00 77.57 84 A 1 ATOM 681 O OD2 . ASP A 1 84 ? -0.681 -15.406 -1.922 1.00 76.46 84 A 1 ATOM 682 N N . ARG A 1 85 ? -4.364 -17.319 -6.039 1.00 94.72 85 A 1 ATOM 683 C CA . ARG A 1 85 ? -4.633 -17.839 -7.384 1.00 94.46 85 A 1 ATOM 684 C C . ARG A 1 85 ? -4.196 -16.801 -8.408 1.00 94.47 85 A 1 ATOM 685 O O . ARG A 1 85 ? -4.633 -15.653 -8.360 1.00 93.56 85 A 1 ATOM 686 C CB . ARG A 1 85 ? -6.118 -18.210 -7.529 1.00 94.09 85 A 1 ATOM 687 C CG . ARG A 1 85 ? -6.505 -19.386 -6.612 1.00 93.26 85 A 1 ATOM 688 C CD . ARG A 1 85 ? -7.994 -19.705 -6.730 1.00 93.16 85 A 1 ATOM 689 N NE . ARG A 1 85 ? -8.385 -20.833 -5.865 1.00 90.92 85 A 1 ATOM 690 C CZ . ARG A 1 85 ? -8.696 -20.788 -4.572 1.00 90.59 85 A 1 ATOM 691 N NH1 . ARG A 1 85 ? -8.662 -19.697 -3.861 1.00 83.95 85 A 1 ATOM 692 N NH2 . ARG A 1 85 ? -9.066 -21.865 -3.952 1.00 84.75 85 A 1 ATOM 693 N N . LYS A 1 86 ? -3.345 -17.204 -9.325 1.00 94.55 86 A 1 ATOM 694 C CA . LYS A 1 86 ? -2.855 -16.350 -10.409 1.00 94.01 86 A 1 ATOM 695 C C . LYS A 1 86 ? -3.160 -17.006 -11.747 1.00 94.49 86 A 1 ATOM 696 O O . LYS A 1 86 ? -2.839 -18.170 -11.952 1.00 93.70 86 A 1 ATOM 697 C CB . LYS A 1 86 ? -1.359 -16.082 -10.217 1.00 91.64 86 A 1 ATOM 698 C CG . LYS A 1 86 ? -0.829 -15.088 -11.267 1.00 78.42 86 A 1 ATOM 699 C CD . LYS A 1 86 ? 0.668 -14.833 -11.082 1.00 77.35 86 A 1 ATOM 700 C CE . LYS A 1 86 ? 1.160 -13.903 -12.192 1.00 65.45 86 A 1 ATOM 701 N NZ . LYS A 1 86 ? 2.632 -13.740 -12.151 1.00 57.39 86 A 1 ATOM 702 N N . ILE A 1 87 ? -3.746 -16.236 -12.654 1.00 94.11 87 A 1 ATOM 703 C CA . ILE A 1 87 ? -3.964 -16.664 -14.036 1.00 94.12 87 A 1 ATOM 704 C C . ILE A 1 87 ? -2.653 -16.512 -14.804 1.00 94.11 87 A 1 ATOM 705 O O . ILE A 1 87 ? -2.037 -15.445 -14.797 1.00 93.18 87 A 1 ATOM 706 C CB . ILE A 1 87 ? -5.130 -15.872 -14.666 1.00 93.45 87 A 1 ATOM 707 C CG1 . ILE A 1 87 ? -6.439 -16.176 -13.894 1.00 90.95 87 A 1 ATOM 708 C CG2 . ILE A 1 87 ? -5.277 -16.210 -16.158 1.00 90.61 87 A 1 ATOM 709 C CD1 . ILE A 1 87 ? -7.620 -15.305 -14.314 1.00 86.26 87 A 1 ATOM 710 N N . ASP A 1 88 ? -2.252 -17.578 -15.477 1.00 94.08 88 A 1 ATOM 711 C CA . ASP A 1 88 ? -1.196 -17.539 -16.475 1.00 94.09 88 A 1 ATOM 712 C C . ASP A 1 88 ? -1.815 -17.196 -17.840 1.00 94.61 88 A 1 ATOM 713 O O . ASP A 1 88 ? -2.577 -17.982 -18.410 1.00 94.63 88 A 1 ATOM 714 C CB . ASP A 1 88 ? -0.433 -18.869 -16.487 1.00 93.67 88 A 1 ATOM 715 C CG . ASP A 1 88 ? 0.688 -18.790 -17.519 1.00 91.20 88 A 1 ATOM 716 O OD1 . ASP A 1 88 ? 1.573 -17.927 -17.325 1.00 86.82 88 A 1 ATOM 717 O OD2 . ASP A 1 88 ? 0.603 -19.523 -18.526 1.00 85.40 88 A 1 ATOM 718 N N . LEU A 1 89 ? -1.549 -15.985 -18.338 1.00 92.84 89 A 1 ATOM 719 C CA . LEU A 1 89 ? -2.171 -15.478 -19.566 1.00 92.26 89 A 1 ATOM 720 C C . LEU A 1 89 ? -1.837 -16.306 -20.822 1.00 93.65 89 A 1 ATOM 721 O O . LEU A 1 89 ? -2.763 -16.580 -21.588 1.00 93.87 89 A 1 ATOM 722 C CB . LEU A 1 89 ? -1.821 -13.993 -19.782 1.00 90.11 89 A 1 ATOM 723 C CG . LEU A 1 89 ? -2.462 -13.008 -18.793 1.00 80.51 89 A 1 ATOM 724 C CD1 . LEU A 1 89 ? -1.905 -11.602 -19.053 1.00 77.36 89 A 1 ATOM 725 C CD2 . LEU A 1 89 ? -3.987 -12.945 -18.947 1.00 76.68 89 A 1 ATOM 726 N N . PRO A 1 90 ? -0.586 -16.742 -21.049 1.00 92.70 90 A 1 ATOM 727 C CA . PRO A 1 90 ? -0.272 -17.655 -22.148 1.00 93.70 90 A 1 ATOM 728 C C . PRO A 1 90 ? -1.097 -18.944 -22.114 1.00 95.04 90 A 1 ATOM 729 O O . PRO A 1 90 ? -1.681 -19.314 -23.133 1.00 94.91 90 A 1 ATOM 730 C CB . PRO A 1 90 ? 1.225 -17.952 -22.021 1.00 93.78 90 A 1 ATOM 731 C CG . PRO A 1 90 ? 1.776 -16.705 -21.345 1.00 92.01 90 A 1 ATOM 732 C CD . PRO A 1 90 ? 0.644 -16.297 -20.407 1.00 93.29 90 A 1 ATOM 733 N N . SER A 1 91 ? -1.208 -19.593 -20.949 1.00 95.29 91 A 1 ATOM 734 C CA . SER A 1 91 ? -1.998 -20.817 -20.799 1.00 95.59 91 A 1 ATOM 735 C C . SER A 1 91 ? -3.490 -20.564 -21.014 1.00 96.22 91 A 1 ATOM 736 O O . SER A 1 91 ? -4.135 -21.326 -21.733 1.00 95.78 91 A 1 ATOM 737 C CB . SER A 1 91 ? -1.777 -21.438 -19.421 1.00 95.36 91 A 1 ATOM 738 O OG . SER A 1 91 ? -0.422 -21.797 -19.259 1.00 89.34 91 A 1 ATOM 739 N N . LEU A 1 92 ? -4.035 -19.481 -20.460 1.00 95.02 92 A 1 ATOM 740 C CA . LEU A 1 92 ? -5.432 -19.095 -20.670 1.00 94.84 92 A 1 ATOM 741 C C . LEU A 1 92 ? -5.740 -18.895 -22.160 1.00 95.25 92 A 1 ATOM 742 O O . LEU A 1 92 ? -6.734 -19.426 -22.653 1.00 95.64 92 A 1 ATOM 743 C CB . LEU A 1 92 ? -5.741 -17.819 -19.865 1.00 94.67 92 A 1 ATOM 744 C CG . LEU A 1 92 ? -7.183 -17.301 -20.051 1.00 94.63 92 A 1 ATOM 745 C CD1 . LEU A 1 92 ? -8.226 -18.294 -19.541 1.00 91.90 92 A 1 ATOM 746 C CD2 . LEU A 1 92 ? -7.362 -15.983 -19.300 1.00 92.12 92 A 1 ATOM 747 N N . ASN A 1 93 ? -4.882 -18.182 -22.882 1.00 95.05 93 A 1 ATOM 748 C CA . ASN A 1 93 ? -5.049 -17.960 -24.319 1.00 94.26 93 A 1 ATOM 749 C C . ASN A 1 93 ? -4.994 -19.271 -25.113 1.00 95.18 93 A 1 ATOM 750 O O . ASN A 1 93 ? -5.734 -19.426 -26.078 1.00 94.80 93 A 1 ATOM 751 C CB . ASN A 1 93 ? -3.964 -16.986 -24.803 1.00 93.22 93 A 1 ATOM 752 C CG . ASN A 1 93 ? -4.180 -15.558 -24.331 1.00 90.30 93 A 1 ATOM 753 O OD1 . ASN A 1 93 ? -5.254 -15.134 -23.949 1.00 83.94 93 A 1 ATOM 754 N ND2 . ASN A 1 93 ? -3.152 -14.743 -24.378 1.00 83.20 93 A 1 ATOM 755 N N . GLY A 1 94 ? -4.162 -20.227 -24.693 1.00 95.21 94 A 1 ATOM 756 C CA . GLY A 1 94 ? -4.053 -21.545 -25.323 1.00 95.61 94 A 1 ATOM 757 C C . GLY A 1 94 ? -5.320 -22.393 -25.203 1.00 96.40 94 A 1 ATOM 758 O O . GLY A 1 94 ? -5.650 -23.127 -26.132 1.00 95.21 94 A 1 ATOM 759 N N . ILE A 1 95 ? -6.060 -22.272 -24.094 1.00 96.48 95 A 1 ATOM 760 C CA . ILE A 1 95 ? -7.283 -23.048 -23.830 1.00 96.60 95 A 1 ATOM 761 C C . ILE A 1 95 ? -8.575 -22.271 -24.101 1.00 97.11 95 A 1 ATOM 762 O O . ILE A 1 95 ? -9.663 -22.815 -23.916 1.00 96.92 95 A 1 ATOM 763 C CB . ILE A 1 95 ? -7.277 -23.648 -22.406 1.00 96.22 95 A 1 ATOM 764 C CG1 . ILE A 1 95 ? -7.355 -22.549 -21.326 1.00 94.53 95 A 1 ATOM 765 C CG2 . ILE A 1 95 ? -6.049 -24.561 -22.218 1.00 93.33 95 A 1 ATOM 766 C CD1 . ILE A 1 95 ? -7.592 -23.075 -19.909 1.00 93.03 95 A 1 ATOM 767 N N . LEU A 1 96 ? -8.498 -21.022 -24.534 1.00 95.73 96 A 1 ATOM 768 C CA . LEU A 1 96 ? -9.665 -20.148 -24.697 1.00 94.93 96 A 1 ATOM 769 C C . LEU A 1 96 ? -10.736 -20.763 -25.607 1.00 95.37 96 A 1 ATOM 770 O O . LEU A 1 96 ? -11.924 -20.723 -25.289 1.00 95.63 96 A 1 ATOM 771 C CB . LEU A 1 96 ? -9.183 -18.786 -25.233 1.00 93.80 96 A 1 ATOM 772 C CG . LEU A 1 96 ? -10.293 -17.730 -25.360 1.00 83.81 96 A 1 ATOM 773 C CD1 . LEU A 1 96 ? -10.896 -17.368 -24.003 1.00 79.54 96 A 1 ATOM 774 C CD2 . LEU A 1 96 ? -9.720 -16.451 -25.981 1.00 80.70 96 A 1 ATOM 775 N N . GLY A 1 97 ? -10.320 -21.390 -26.713 1.00 96.18 97 A 1 ATOM 776 C CA . GLY A 1 97 ? -11.232 -22.074 -27.632 1.00 96.12 97 A 1 ATOM 777 C C . GLY A 1 97 ? -11.981 -23.239 -26.982 1.00 96.58 97 A 1 ATOM 778 O O . GLY A 1 97 ? -13.171 -23.429 -27.249 1.00 96.10 97 A 1 ATOM 779 N N . ASP A 1 98 ? -11.326 -23.993 -26.099 1.00 96.80 98 A 1 ATOM 780 C CA . ASP A 1 98 ? -11.949 -25.119 -25.399 1.00 96.79 98 A 1 ATOM 781 C C . ASP A 1 98 ? -12.887 -24.642 -24.285 1.00 97.27 98 A 1 ATOM 782 O O . ASP A 1 98 ? -13.973 -25.197 -24.129 1.00 96.83 98 A 1 ATOM 783 C CB . ASP A 1 98 ? -10.870 -26.079 -24.890 1.00 96.57 98 A 1 ATOM 784 C CG . ASP A 1 98 ? -10.082 -26.739 -26.032 1.00 95.27 98 A 1 ATOM 785 O OD1 . ASP A 1 98 ? -10.651 -26.896 -27.155 1.00 91.36 98 A 1 ATOM 786 O OD2 . ASP A 1 98 ? -8.913 -27.090 -25.783 1.00 91.52 98 A 1 ATOM 787 N N . LEU A 1 99 ? -12.543 -23.555 -23.593 1.00 96.60 99 A 1 ATOM 788 C CA . LEU A 1 99 ? -13.426 -22.909 -22.616 1.00 96.07 99 A 1 ATOM 789 C C . LEU A 1 99 ? -14.736 -22.440 -23.263 1.00 96.25 99 A 1 ATOM 790 O O . LEU A 1 99 ? -15.811 -22.691 -22.719 1.00 96.15 99 A 1 ATOM 791 C CB . LEU A 1 99 ? -12.697 -21.726 -21.955 1.00 96.17 99 A 1 ATOM 792 C CG . LEU A 1 99 ? -11.526 -22.121 -21.036 1.00 95.41 99 A 1 ATOM 793 C CD1 . LEU A 1 99 ? -10.810 -20.859 -20.557 1.00 93.69 99 A 1 ATOM 794 C CD2 . LEU A 1 99 ? -11.987 -22.901 -19.802 1.00 94.08 99 A 1 ATOM 795 N N . ILE A 1 100 ? -14.661 -21.834 -24.450 1.00 96.16 100 A 1 ATOM 796 C CA . ILE A 1 100 ? -15.851 -21.414 -25.205 1.00 95.17 100 A 1 ATOM 797 C C . ILE A 1 100 ? -16.712 -22.623 -25.593 1.00 95.83 100 A 1 ATOM 798 O O . ILE A 1 100 ? -17.933 -22.579 -25.425 1.00 95.47 100 A 1 ATOM 799 C CB . ILE A 1 100 ? -15.434 -20.576 -26.434 1.00 94.05 100 A 1 ATOM 800 C CG1 . ILE A 1 100 ? -14.821 -19.229 -25.979 1.00 90.81 100 A 1 ATOM 801 C CG2 . ILE A 1 100 ? -16.635 -20.314 -27.368 1.00 90.79 100 A 1 ATOM 802 C CD1 . ILE A 1 100 ? -14.069 -18.487 -27.091 1.00 83.84 100 A 1 ATOM 803 N N . LYS A 1 101 ? -16.111 -23.733 -26.066 1.00 96.43 101 A 1 ATOM 804 C CA . LYS A 1 101 ? -16.850 -24.958 -26.444 1.00 96.63 101 A 1 ATOM 805 C C . LYS A 1 101 ? -17.633 -25.560 -25.280 1.00 96.82 101 A 1 ATOM 806 O O . LYS A 1 101 ? -18.719 -26.091 -25.497 1.00 96.34 101 A 1 ATOM 807 C CB . LYS A 1 101 ? -15.892 -26.027 -26.978 1.00 96.49 101 A 1 ATOM 808 C CG . LYS A 1 101 ? -15.301 -25.727 -28.361 1.00 92.56 101 A 1 ATOM 809 C CD . LYS A 1 101 ? -14.180 -26.742 -28.621 1.00 90.04 101 A 1 ATOM 810 C CE . LYS A 1 101 ? -13.246 -26.313 -29.747 1.00 85.29 101 A 1 ATOM 811 N NZ . LYS A 1 101 ? -11.953 -27.035 -29.627 1.00 77.26 101 A 1 ATOM 812 N N . VAL A 1 102 ? -17.104 -25.486 -24.064 1.00 96.87 102 A 1 ATOM 813 C CA . VAL A 1 102 ? -17.780 -25.980 -22.852 1.00 96.63 102 A 1 ATOM 814 C C . VAL A 1 102 ? -18.677 -24.926 -22.188 1.00 97.02 102 A 1 ATOM 815 O O . VAL A 1 102 ? -19.215 -25.174 -21.112 1.00 96.27 102 A 1 ATOM 816 C CB . VAL A 1 102 ? -16.799 -26.634 -21.859 1.00 96.36 102 A 1 ATOM 817 C CG1 . VAL A 1 102 ? -16.033 -27.789 -22.513 1.00 92.49 102 A 1 ATOM 818 C CG2 . VAL A 1 102 ? -15.794 -25.641 -21.267 1.00 91.19 102 A 1 ATOM 819 N N . GLY A 1 103 ? -18.877 -23.768 -22.821 1.00 96.81 103 A 1 ATOM 820 C CA . GLY A 1 103 ? -19.802 -22.730 -22.361 1.00 96.69 103 A 1 ATOM 821 C C . GLY A 1 103 ? -19.275 -21.846 -21.229 1.00 96.92 103 A 1 ATOM 822 O O . GLY A 1 103 ? -20.067 -21.202 -20.542 1.00 95.48 103 A 1 ATOM 823 N N . VAL A 1 104 ? -17.961 -21.797 -21.004 1.00 96.96 104 A 1 ATOM 824 C CA . VAL A 1 104 ? -17.364 -20.920 -19.986 1.00 96.61 104 A 1 ATOM 825 C C . VAL A 1 104 ? -17.269 -19.494 -20.520 1.00 96.65 104 A 1 ATOM 826 O O . VAL A 1 104 ? -16.579 -19.227 -21.505 1.00 96.02 104 A 1 ATOM 827 C CB . VAL A 1 104 ? -15.992 -21.431 -19.524 1.00 96.01 104 A 1 ATOM 828 C CG1 . VAL A 1 104 ? -15.315 -20.462 -18.544 1.00 94.00 104 A 1 ATOM 829 C CG2 . VAL A 1 104 ? -16.125 -22.783 -18.813 1.00 93.98 104 A 1 ATOM 830 N N . ASN A 1 105 ? -17.903 -18.552 -19.815 1.00 96.65 105 A 1 ATOM 831 C CA . ASN A 1 105 ? -17.730 -17.128 -20.072 1.00 96.28 105 A 1 ATOM 832 C C . ASN A 1 105 ? -16.491 -16.603 -19.320 1.00 96.05 105 A 1 ATOM 833 O O . ASN A 1 105 ? -16.533 -16.358 -18.114 1.00 95.11 105 A 1 ATOM 834 C CB . ASN A 1 105 ? -19.022 -16.379 -19.709 1.00 95.33 105 A 1 ATOM 835 C CG . ASN A 1 105 ? -18.938 -14.906 -20.079 1.00 94.11 105 A 1 ATOM 836 O OD1 . ASN A 1 105 ? -17.893 -14.377 -20.404 1.00 90.00 105 A 1 ATOM 837 N ND2 . ASN A 1 105 ? -20.036 -14.195 -20.048 1.00 88.79 105 A 1 ATOM 838 N N . VAL A 1 106 ? -15.390 -16.433 -20.042 1.00 95.45 106 A 1 ATOM 839 C CA . VAL A 1 106 ? -14.101 -15.991 -19.485 1.00 95.15 106 A 1 ATOM 840 C C . VAL A 1 106 ? -14.169 -14.565 -18.931 1.00 95.14 106 A 1 ATOM 841 O O . VAL A 1 106 ? -13.527 -14.284 -17.922 1.00 94.36 106 A 1 ATOM 842 C CB . VAL A 1 106 ? -12.982 -16.141 -20.529 1.00 94.23 106 A 1 ATOM 843 C CG1 . VAL A 1 106 ? -11.615 -15.692 -19.992 1.00 90.94 106 A 1 ATOM 844 C CG2 . VAL A 1 106 ? -12.843 -17.615 -20.947 1.00 91.25 106 A 1 ATOM 845 N N . ASP A 1 107 ? -15.003 -13.698 -19.501 1.00 95.43 107 A 1 ATOM 846 C CA . ASP A 1 107 ? -15.158 -12.314 -19.034 1.00 94.54 107 A 1 ATOM 847 C C . ASP A 1 107 ? -15.753 -12.225 -17.620 1.00 94.70 107 A 1 ATOM 848 O O . ASP A 1 107 ? -15.541 -11.245 -16.910 1.00 93.33 107 A 1 ATOM 849 C CB . ASP A 1 107 ? -16.033 -11.518 -20.018 1.00 93.11 107 A 1 ATOM 850 C CG . ASP A 1 107 ? -15.433 -11.394 -21.423 1.00 88.92 107 A 1 ATOM 851 O OD1 . ASP A 1 107 ? -14.184 -11.390 -21.534 1.00 84.07 107 A 1 ATOM 852 O OD2 . ASP A 1 107 ? -16.234 -11.292 -22.378 1.00 83.42 107 A 1 ATOM 853 N N . GLN A 1 108 ? -16.462 -13.274 -17.174 1.00 95.54 108 A 1 ATOM 854 C CA . GLN A 1 108 ? -16.960 -13.367 -15.795 1.00 95.39 108 A 1 ATOM 855 C C . GLN A 1 108 ? -15.897 -13.856 -14.802 1.00 95.50 108 A 1 ATOM 856 O O . GLN A 1 108 ? -16.059 -13.694 -13.595 1.00 94.08 108 A 1 ATOM 857 C CB . GLN A 1 108 ? -18.178 -14.299 -15.742 1.00 95.17 108 A 1 ATOM 858 C CG . GLN A 1 108 ? -19.378 -13.731 -16.514 1.00 91.40 108 A 1 ATOM 859 C CD . GLN A 1 108 ? -20.611 -14.627 -16.433 1.00 86.13 108 A 1 ATOM 860 O OE1 . GLN A 1 108 ? -20.598 -15.757 -15.975 1.00 79.85 108 A 1 ATOM 861 N NE2 . GLN A 1 108 ? -21.750 -14.152 -16.884 1.00 76.67 108 A 1 ATOM 862 N N . LEU A 1 109 ? -14.839 -14.497 -15.293 1.00 95.68 109 A 1 ATOM 863 C CA . LEU A 1 109 ? -13.784 -15.097 -14.470 1.00 95.42 109 A 1 ATOM 864 C C . LEU A 1 109 ? -12.523 -14.236 -14.403 1.00 95.29 109 A 1 ATOM 865 O O . LEU A 1 109 ? -11.731 -14.361 -13.467 1.00 94.16 109 A 1 ATOM 866 C CB . LEU A 1 109 ? -13.439 -16.487 -15.027 1.00 95.36 109 A 1 ATOM 867 C CG . LEU A 1 109 ? -14.606 -17.493 -15.065 1.00 94.54 109 A 1 ATOM 868 C CD1 . LEU A 1 109 ? -14.092 -18.817 -15.630 1.00 91.37 109 A 1 ATOM 869 C CD2 . LEU A 1 109 ? -15.197 -17.759 -13.680 1.00 91.48 109 A 1 ATOM 870 N N . VAL A 1 110 ? -12.305 -13.392 -15.409 1.00 94.66 110 A 1 ATOM 871 C CA . VAL A 1 110 ? -11.085 -12.605 -15.572 1.00 93.86 110 A 1 ATOM 872 C C . VAL A 1 110 ? -11.422 -11.124 -15.547 1.00 93.50 110 A 1 ATOM 873 O O . VAL A 1 110 ? -12.084 -10.599 -16.431 1.00 92.35 110 A 1 ATOM 874 C CB . VAL A 1 110 ? -10.338 -12.985 -16.862 1.00 92.88 110 A 1 ATOM 875 C CG1 . VAL A 1 110 ? -9.006 -12.227 -16.953 1.00 90.15 110 A 1 ATOM 876 C CG2 . VAL A 1 110 ? -10.034 -14.488 -16.920 1.00 90.84 110 A 1 ATOM 877 N N . GLU A 1 111 ? -10.911 -10.435 -14.542 1.00 93.35 111 A 1 ATOM 878 C CA . GLU A 1 111 ? -11.015 -8.980 -14.460 1.00 91.87 111 A 1 ATOM 879 C C . GLU A 1 111 ? -9.844 -8.332 -15.209 1.00 91.06 111 A 1 ATOM 880 O O . GLU A 1 111 ? -8.682 -8.442 -14.802 1.00 88.63 111 A 1 ATOM 881 C CB . GLU A 1 111 ? -11.088 -8.560 -12.983 1.00 89.64 111 A 1 ATOM 882 C CG . GLU A 1 111 ? -11.510 -7.091 -12.826 1.00 80.77 111 A 1 ATOM 883 C CD . GLU A 1 111 ? -11.496 -6.615 -11.359 1.00 79.39 111 A 1 ATOM 884 O OE1 . GLU A 1 111 ? -11.793 -5.428 -11.110 1.00 71.88 111 A 1 ATOM 885 O OE2 . GLU A 1 111 ? -10.977 -7.323 -10.461 1.00 72.94 111 A 1 ATOM 886 N N . ASN A 1 112 ? -10.150 -7.626 -16.302 1.00 90.13 112 A 1 ATOM 887 C CA . ASN A 1 112 ? -9.163 -6.866 -17.058 1.00 88.51 112 A 1 ATOM 888 C C . ASN A 1 112 ? -9.007 -5.467 -16.453 1.00 89.25 112 A 1 ATOM 889 O O . ASN A 1 112 ? -9.852 -4.595 -16.635 1.00 86.49 112 A 1 ATOM 890 C CB . ASN A 1 112 ? -9.570 -6.840 -18.539 1.00 85.18 112 A 1 ATOM 891 C CG . ASN A 1 112 ? -9.392 -8.200 -19.190 1.00 78.64 112 A 1 ATOM 892 O OD1 . ASN A 1 112 ? -8.335 -8.803 -19.112 1.00 71.80 112 A 1 ATOM 893 N ND2 . ASN A 1 112 ? -10.406 -8.720 -19.839 1.00 70.53 112 A 1 ATOM 894 N N . LYS A 1 113 ? -7.904 -5.239 -15.738 1.00 90.11 113 A 1 ATOM 895 C CA . LYS A 1 113 ? -7.576 -3.925 -15.163 1.00 90.29 113 A 1 ATOM 896 C C . LYS A 1 113 ? -6.544 -3.209 -16.028 1.00 91.83 113 A 1 ATOM 897 O O . LYS A 1 113 ? -5.448 -3.745 -16.218 1.00 90.11 113 A 1 ATOM 898 C CB . LYS A 1 113 ? -7.089 -4.057 -13.714 1.00 86.66 113 A 1 ATOM 899 C CG . LYS A 1 113 ? -8.260 -4.476 -12.819 1.00 76.26 113 A 1 ATOM 900 C CD . LYS A 1 113 ? -7.903 -4.560 -11.327 1.00 75.68 113 A 1 ATOM 901 C CE . LYS A 1 113 ? -9.242 -4.942 -10.702 1.00 66.44 113 A 1 ATOM 902 N NZ . LYS A 1 113 ? -9.239 -5.421 -9.324 1.00 59.58 113 A 1 ATOM 903 N N . PRO A 1 114 ? -6.828 -1.988 -16.510 1.00 91.71 114 A 1 ATOM 904 C CA . PRO A 1 114 ? -5.804 -1.180 -17.153 1.00 92.21 114 A 1 ATOM 905 C C . PRO A 1 114 ? -4.714 -0.818 -16.136 1.00 93.20 114 A 1 ATOM 906 O O . PRO A 1 114 ? -4.986 -0.325 -15.044 1.00 91.57 114 A 1 ATOM 907 C CB . PRO A 1 114 ? -6.534 0.043 -17.714 1.00 90.34 114 A 1 ATOM 908 C CG . PRO A 1 114 ? -7.738 0.196 -16.786 1.00 87.63 114 A 1 ATOM 909 C CD . PRO A 1 114 ? -8.073 -1.241 -16.391 1.00 90.12 114 A 1 ATOM 910 N N . VAL A 1 115 ? -3.458 -1.059 -16.496 1.00 93.56 115 A 1 ATOM 911 C CA . VAL A 1 115 ? -2.291 -0.727 -15.668 1.00 94.15 115 A 1 ATOM 912 C C . VAL A 1 115 ? -1.411 0.256 -16.426 1.00 95.32 115 A 1 ATOM 913 O O . VAL A 1 115 ? -0.964 -0.013 -17.541 1.00 94.95 115 A 1 ATOM 914 C CB . VAL A 1 115 ? -1.503 -1.983 -15.241 1.00 92.58 115 A 1 ATOM 915 C CG1 . VAL A 1 115 ? -0.288 -1.609 -14.371 1.00 87.74 115 A 1 ATOM 916 C CG2 . VAL A 1 115 ? -2.375 -2.944 -14.422 1.00 88.11 115 A 1 ATOM 917 N N . LEU A 1 116 ? -1.123 1.394 -15.806 1.00 93.54 116 A 1 ATOM 918 C CA . LEU A 1 116 ? -0.241 2.402 -16.383 1.00 94.64 116 A 1 ATOM 919 C C . LEU A 1 116 ? 1.201 1.882 -16.465 1.00 95.37 116 A 1 ATOM 920 O O . LEU A 1 116 ? 1.849 1.612 -15.456 1.00 95.28 116 A 1 ATOM 921 C CB . LEU A 1 116 ? -0.337 3.699 -15.560 1.00 94.64 116 A 1 ATOM 922 C CG . LEU A 1 116 ? 0.542 4.843 -16.101 1.00 94.23 116 A 1 ATOM 923 C CD1 . LEU A 1 116 ? 0.104 5.303 -17.485 1.00 91.47 116 A 1 ATOM 924 C CD2 . LEU A 1 116 ? 0.490 6.036 -15.152 1.00 91.93 116 A 1 ATOM 925 N N . LYS A 1 117 ? 1.746 1.829 -17.679 1.00 95.82 117 A 1 ATOM 926 C CA . LYS A 1 117 ? 3.179 1.585 -17.904 1.00 96.04 117 A 1 ATOM 927 C C . LYS A 1 117 ? 3.955 2.889 -17.708 1.00 96.48 117 A 1 ATOM 928 O O . LYS A 1 117 ? 4.255 3.588 -18.676 1.00 96.28 117 A 1 ATOM 929 C CB . LYS A 1 117 ? 3.417 0.951 -19.287 1.00 96.12 117 A 1 ATOM 930 C CG . LYS A 1 117 ? 2.846 -0.471 -19.382 1.00 93.33 117 A 1 ATOM 931 C CD . LYS A 1 117 ? 3.201 -1.124 -20.730 1.00 88.80 117 A 1 ATOM 932 C CE . LYS A 1 117 ? 2.606 -2.535 -20.800 1.00 83.96 117 A 1 ATOM 933 N NZ . LYS A 1 117 ? 2.905 -3.224 -22.089 1.00 73.65 117 A 1 ATOM 934 N N . VAL A 1 118 ? 4.319 3.204 -16.468 1.00 95.84 118 A 1 ATOM 935 C CA . VAL A 1 118 ? 4.967 4.470 -16.065 1.00 95.28 118 A 1 ATOM 936 C C . VAL A 1 118 ? 6.205 4.803 -16.908 1.00 96.07 118 A 1 ATOM 937 O O . VAL A 1 118 ? 6.396 5.951 -17.302 1.00 96.09 118 A 1 ATOM 938 C CB . VAL A 1 118 ? 5.345 4.435 -14.569 1.00 94.05 118 A 1 ATOM 939 C CG1 . VAL A 1 118 ? 6.047 5.728 -14.113 1.00 91.19 118 A 1 ATOM 940 C CG2 . VAL A 1 118 ? 4.103 4.251 -13.691 1.00 91.09 118 A 1 ATOM 941 N N . ALA A 1 119 ? 7.026 3.809 -17.245 1.00 96.58 119 A 1 ATOM 942 C CA . ALA A 1 119 ? 8.216 4.016 -18.073 1.00 96.93 119 A 1 ATOM 943 C C . ALA A 1 119 ? 7.898 4.506 -19.501 1.00 97.29 119 A 1 ATOM 944 O O . ALA A 1 119 ? 8.670 5.281 -20.064 1.00 96.68 119 A 1 ATOM 945 C CB . ALA A 1 119 ? 9.008 2.703 -18.116 1.00 97.12 119 A 1 ATOM 946 N N . ALA A 1 120 ? 6.791 4.061 -20.089 1.00 97.05 120 A 1 ATOM 947 C CA . ALA A 1 120 ? 6.326 4.535 -21.390 1.00 97.00 120 A 1 ATOM 948 C C . ALA A 1 120 ? 5.623 5.894 -21.262 1.00 97.22 120 A 1 ATOM 949 O O . ALA A 1 120 ? 5.905 6.796 -22.040 1.00 96.75 120 A 1 ATOM 950 C CB . ALA A 1 120 ? 5.416 3.468 -22.013 1.00 97.11 120 A 1 ATOM 951 N N . TRP A 1 121 ? 4.792 6.059 -20.241 1.00 97.15 121 A 1 ATOM 952 C CA . TRP A 1 121 ? 4.100 7.318 -19.945 1.00 96.57 121 A 1 ATOM 953 C C . TRP A 1 121 ? 5.072 8.492 -19.755 1.00 96.57 121 A 1 ATOM 954 O O . TRP A 1 121 ? 4.876 9.551 -20.331 1.00 96.40 121 A 1 ATOM 955 C CB . TRP A 1 121 ? 3.222 7.109 -18.712 1.00 95.75 121 A 1 ATOM 956 C CG . TRP A 1 121 ? 2.577 8.348 -18.184 1.00 94.28 121 A 1 ATOM 957 C CD1 . TRP A 1 121 ? 1.526 8.998 -18.735 1.00 90.84 121 A 1 ATOM 958 C CD2 . TRP A 1 121 ? 2.945 9.119 -17.000 1.00 92.97 121 A 1 ATOM 959 N NE1 . TRP A 1 121 ? 1.210 10.107 -17.976 1.00 89.20 121 A 1 ATOM 960 C CE2 . TRP A 1 121 ? 2.054 10.228 -16.889 1.00 91.53 121 A 1 ATOM 961 C CE3 . TRP A 1 121 ? 3.941 8.982 -16.000 1.00 89.13 121 A 1 ATOM 962 C CZ2 . TRP A 1 121 ? 2.136 11.157 -15.841 1.00 89.02 121 A 1 ATOM 963 C CZ3 . TRP A 1 121 ? 4.029 9.912 -14.950 1.00 86.59 121 A 1 ATOM 964 C CH2 . TRP A 1 121 ? 3.133 10.994 -14.866 1.00 85.50 121 A 1 ATOM 965 N N . ARG A 1 122 ? 6.194 8.283 -19.044 1.00 96.66 122 A 1 ATOM 966 C CA . ARG A 1 122 ? 7.247 9.306 -18.854 1.00 96.32 122 A 1 ATOM 967 C C . ARG A 1 122 ? 7.985 9.714 -20.134 1.00 97.08 122 A 1 ATOM 968 O O . ARG A 1 122 ? 8.719 10.692 -20.102 1.00 96.86 122 A 1 ATOM 969 C CB . ARG A 1 122 ? 8.265 8.810 -17.813 1.00 95.42 122 A 1 ATOM 970 C CG . ARG A 1 122 ? 7.712 8.867 -16.385 1.00 92.90 122 A 1 ATOM 971 C CD . ARG A 1 122 ? 8.775 8.348 -15.411 1.00 89.60 122 A 1 ATOM 972 N NE . ARG A 1 122 ? 8.321 8.421 -14.011 1.00 83.81 122 A 1 ATOM 973 C CZ . ARG A 1 122 ? 8.998 8.030 -12.944 1.00 77.94 122 A 1 ATOM 974 N NH1 . ARG A 1 122 ? 10.190 7.507 -13.035 1.00 73.73 122 A 1 ATOM 975 N NH2 . ARG A 1 122 ? 8.482 8.162 -11.750 1.00 72.35 122 A 1 ATOM 976 N N . LYS A 1 123 ? 7.837 8.959 -21.227 1.00 96.18 123 A 1 ATOM 977 C CA . LYS A 1 123 ? 8.450 9.258 -22.534 1.00 96.91 123 A 1 ATOM 978 C C . LYS A 1 123 ? 7.517 10.033 -23.466 1.00 97.60 123 A 1 ATOM 979 O O . LYS A 1 123 ? 7.930 10.350 -24.578 1.00 97.20 123 A 1 ATOM 980 C CB . LYS A 1 123 ? 8.917 7.961 -23.213 1.00 97.00 123 A 1 ATOM 981 C CG . LYS A 1 123 ? 10.040 7.253 -22.446 1.00 95.77 123 A 1 ATOM 982 C CD . LYS A 1 123 ? 10.400 5.943 -23.161 1.00 93.15 123 A 1 ATOM 983 C CE . LYS A 1 123 ? 11.499 5.201 -22.398 1.00 89.53 123 A 1 ATOM 984 N NZ . LYS A 1 123 ? 11.925 3.979 -23.124 1.00 80.87 123 A 1 ATOM 985 N N . LEU A 1 124 ? 6.276 10.284 -23.056 1.00 96.06 124 A 1 ATOM 986 C CA . LEU A 1 124 ? 5.331 11.076 -23.833 1.00 95.89 124 A 1 ATOM 987 C C . LEU A 1 124 ? 5.821 12.524 -23.964 1.00 96.29 124 A 1 ATOM 988 O O . LEU A 1 124 ? 6.419 13.075 -23.037 1.00 96.37 124 A 1 ATOM 989 C CB . LEU A 1 124 ? 3.936 11.026 -23.186 1.00 96.38 124 A 1 ATOM 990 C CG . LEU A 1 124 ? 3.273 9.637 -23.182 1.00 95.70 124 A 1 ATOM 991 C CD1 . LEU A 1 124 ? 1.915 9.730 -22.485 1.00 92.50 124 A 1 ATOM 992 C CD2 . LEU A 1 124 ? 3.054 9.076 -24.587 1.00 93.17 124 A 1 ATOM 993 N N . THR A 1 125 ? 5.532 13.146 -25.109 1.00 96.77 125 A 1 ATOM 994 C CA . THR A 1 125 ? 5.724 14.594 -25.272 1.00 96.63 125 A 1 ATOM 995 C C . THR A 1 125 ? 4.756 15.356 -24.367 1.00 96.40 125 A 1 ATOM 996 O O . THR A 1 125 ? 3.767 14.799 -23.890 1.00 96.31 125 A 1 ATOM 997 C CB . THR A 1 125 ? 5.562 15.051 -26.730 1.00 97.02 125 A 1 ATOM 998 O OG1 . THR A 1 125 ? 4.225 14.941 -27.145 1.00 95.74 125 A 1 ATOM 999 C CG2 . THR A 1 125 ? 6.426 14.254 -27.707 1.00 93.88 125 A 1 ATOM 1000 N N . ALA A 1 126 ? 5.006 16.640 -24.137 1.00 96.08 126 A 1 ATOM 1001 C CA . ALA A 1 126 ? 4.129 17.472 -23.315 1.00 95.65 126 A 1 ATOM 1002 C C . ALA A 1 126 ? 2.676 17.480 -23.828 1.00 95.59 126 A 1 ATOM 1003 O O . ALA A 1 126 ? 1.741 17.351 -23.039 1.00 94.70 126 A 1 ATOM 1004 C CB . ALA A 1 126 ? 4.718 18.887 -23.263 1.00 95.35 126 A 1 ATOM 1005 N N . GLU A 1 127 ? 2.495 17.543 -25.149 1.00 95.59 127 A 1 ATOM 1006 C CA . GLU A 1 127 ? 1.179 17.503 -25.798 1.00 95.60 127 A 1 ATOM 1007 C C . GLU A 1 127 ? 0.477 16.154 -25.602 1.00 95.70 127 A 1 ATOM 1008 O O . GLU A 1 127 ? -0.685 16.096 -25.204 1.00 94.91 127 A 1 ATOM 1009 C CB . GLU A 1 127 ? 1.350 17.775 -27.299 1.00 95.27 127 A 1 ATOM 1010 C CG . GLU A 1 127 ? 1.865 19.196 -27.590 1.00 84.73 127 A 1 ATOM 1011 C CD . GLU A 1 127 ? 2.185 19.424 -29.078 1.00 80.17 127 A 1 ATOM 1012 O OE1 . GLU A 1 127 ? 2.625 20.552 -29.391 1.00 73.17 127 A 1 ATOM 1013 O OE2 . GLU A 1 127 ? 2.046 18.462 -29.871 1.00 75.18 127 A 1 ATOM 1014 N N . GLN A 1 128 ? 1.199 15.045 -25.813 1.00 95.25 128 A 1 ATOM 1015 C CA . GLN A 1 128 ? 0.675 13.696 -25.607 1.00 94.83 128 A 1 ATOM 1016 C C . GLN A 1 128 ? 0.303 13.460 -24.138 1.00 94.82 128 A 1 ATOM 1017 O O . GLN A 1 128 ? -0.753 12.902 -23.844 1.00 94.90 128 A 1 ATOM 1018 C CB . GLN A 1 128 ? 1.728 12.670 -26.037 1.00 95.47 128 A 1 ATOM 1019 C CG . GLN A 1 128 ? 1.959 12.617 -27.553 1.00 96.08 128 A 1 ATOM 1020 C CD . GLN A 1 128 ? 3.166 11.751 -27.915 1.00 96.00 128 A 1 ATOM 1021 O OE1 . GLN A 1 128 ? 4.045 11.460 -27.117 1.00 92.64 128 A 1 ATOM 1022 N NE2 . GLN A 1 128 ? 3.258 11.307 -29.147 1.00 90.61 128 A 1 ATOM 1023 N N . ALA A 1 129 ? 1.156 13.895 -23.213 1.00 95.52 129 A 1 ATOM 1024 C CA . ALA A 1 129 ? 0.911 13.793 -21.783 1.00 94.03 129 A 1 ATOM 1025 C C . ALA A 1 129 ? -0.301 14.631 -21.355 1.00 93.72 129 A 1 ATOM 1026 O O . ALA A 1 129 ? -1.107 14.149 -20.570 1.00 93.16 129 A 1 ATOM 1027 C CB . ALA A 1 129 ? 2.180 14.198 -21.027 1.00 93.29 129 A 1 ATOM 1028 N N . ALA A 1 130 ? -0.477 15.832 -21.905 1.00 94.36 130 A 1 ATOM 1029 C CA . ALA A 1 130 ? -1.632 16.681 -21.602 1.00 93.57 130 A 1 ATOM 1030 C C . ALA A 1 130 ? -2.967 15.998 -21.944 1.00 93.69 130 A 1 ATOM 1031 O O . ALA A 1 130 ? -3.922 16.093 -21.171 1.00 92.18 130 A 1 ATOM 1032 C CB . ALA A 1 130 ? -1.480 18.009 -22.353 1.00 93.82 130 A 1 ATOM 1033 N N . VAL A 1 131 ? -3.023 15.257 -23.058 1.00 94.37 131 A 1 ATOM 1034 C CA . VAL A 1 131 ? -4.216 14.485 -23.444 1.00 94.15 131 A 1 ATOM 1035 C C . VAL A 1 131 ? -4.358 13.232 -22.576 1.00 93.91 131 A 1 ATOM 1036 O O . VAL A 1 131 ? -5.418 12.992 -22.006 1.00 92.96 131 A 1 ATOM 1037 C CB . VAL A 1 131 ? -4.181 14.128 -24.941 1.00 94.56 131 A 1 ATOM 1038 C CG1 . VAL A 1 131 ? -5.411 13.312 -25.360 1.00 92.55 131 A 1 ATOM 1039 C CG2 . VAL A 1 131 ? -4.151 15.395 -25.811 1.00 92.73 131 A 1 ATOM 1040 N N . PHE A 1 132 ? -3.295 12.431 -22.429 1.00 95.07 132 A 1 ATOM 1041 C CA . PHE A 1 132 ? -3.354 11.153 -21.713 1.00 94.03 132 A 1 ATOM 1042 C C . PHE A 1 132 ? -3.620 11.325 -20.209 1.00 93.48 132 A 1 ATOM 1043 O O . PHE A 1 132 ? -4.323 10.520 -19.609 1.00 91.51 132 A 1 ATOM 1044 C CB . PHE A 1 132 ? -2.063 10.368 -21.972 1.00 93.83 132 A 1 ATOM 1045 C CG . PHE A 1 132 ? -2.134 8.934 -21.484 1.00 94.84 132 A 1 ATOM 1046 C CD1 . PHE A 1 132 ? -1.649 8.596 -20.207 1.00 90.69 132 A 1 ATOM 1047 C CD2 . PHE A 1 132 ? -2.725 7.946 -22.289 1.00 91.83 132 A 1 ATOM 1048 C CE1 . PHE A 1 132 ? -1.755 7.273 -19.740 1.00 90.70 132 A 1 ATOM 1049 C CE2 . PHE A 1 132 ? -2.832 6.624 -21.823 1.00 91.35 132 A 1 ATOM 1050 C CZ . PHE A 1 132 ? -2.348 6.288 -20.544 1.00 92.55 132 A 1 ATOM 1051 N N . ASN A 1 133 ? -3.115 12.395 -19.592 1.00 94.60 133 A 1 ATOM 1052 C CA . ASN A 1 133 ? -3.303 12.670 -18.169 1.00 93.21 133 A 1 ATOM 1053 C C . ASN A 1 133 ? -4.762 12.945 -17.785 1.00 92.82 133 A 1 ATOM 1054 O O . ASN A 1 133 ? -5.079 12.888 -16.605 1.00 91.80 133 A 1 ATOM 1055 C CB . ASN A 1 133 ? -2.387 13.825 -17.739 1.00 92.57 133 A 1 ATOM 1056 C CG . ASN A 1 133 ? -0.913 13.463 -17.701 1.00 90.83 133 A 1 ATOM 1057 O OD1 . ASN A 1 133 ? -0.499 12.314 -17.777 1.00 85.89 133 A 1 ATOM 1058 N ND2 . ASN A 1 133 ? -0.055 14.447 -17.553 1.00 85.52 133 A 1 ATOM 1059 N N . GLN A 1 134 ? -5.659 13.164 -18.752 1.00 93.35 134 A 1 ATOM 1060 C CA . GLN A 1 134 ? -7.096 13.286 -18.474 1.00 92.34 134 A 1 ATOM 1061 C C . GLN A 1 134 ? -7.704 11.998 -17.892 1.00 92.26 134 A 1 ATOM 1062 O O . GLN A 1 134 ? -8.715 12.062 -17.202 1.00 89.69 134 A 1 ATOM 1063 C CB . GLN A 1 134 ? -7.849 13.661 -19.761 1.00 93.23 134 A 1 ATOM 1064 C CG . GLN A 1 134 ? -7.402 15.016 -20.333 1.00 91.33 134 A 1 ATOM 1065 C CD . GLN A 1 134 ? -8.129 15.379 -21.625 1.00 88.15 134 A 1 ATOM 1066 O OE1 . GLN A 1 134 ? -9.215 14.917 -21.935 1.00 82.80 134 A 1 ATOM 1067 N NE2 . GLN A 1 134 ? -7.560 16.242 -22.434 1.00 78.54 134 A 1 ATOM 1068 N N . CYS A 1 135 ? -7.093 10.829 -18.143 1.00 93.55 135 A 1 ATOM 1069 C CA . CYS A 1 135 ? -7.522 9.545 -17.583 1.00 92.28 135 A 1 ATOM 1070 C C . CYS A 1 135 ? -6.565 8.990 -16.514 1.00 92.40 135 A 1 ATOM 1071 O O . CYS A 1 135 ? -6.689 7.830 -16.120 1.00 90.65 135 A 1 ATOM 1072 C CB . CYS A 1 135 ? -7.787 8.555 -18.730 1.00 91.21 135 A 1 ATOM 1073 S SG . CYS A 1 135 ? -6.245 8.061 -19.566 1.00 88.22 135 A 1 ATOM 1074 N N . VAL A 1 136 ? -5.593 9.783 -16.041 1.00 91.95 136 A 1 ATOM 1075 C CA . VAL A 1 136 ? -4.614 9.381 -15.025 1.00 91.59 136 A 1 ATOM 1076 C C . VAL A 1 136 ? -4.832 10.196 -13.760 1.00 91.77 136 A 1 ATOM 1077 O O . VAL A 1 136 ? -4.625 11.404 -13.743 1.00 91.06 136 A 1 ATOM 1078 C CB . VAL A 1 136 ? -3.166 9.521 -15.533 1.00 90.81 136 A 1 ATOM 1079 C CG1 . VAL A 1 136 ? -2.143 9.121 -14.459 1.00 87.53 136 A 1 ATOM 1080 C CG2 . VAL A 1 136 ? -2.913 8.619 -16.750 1.00 87.49 136 A 1 ATOM 1081 N N . GLU A 1 137 ? -5.178 9.508 -12.675 1.00 91.82 137 A 1 ATOM 1082 C CA . GLU A 1 137 ? -5.187 10.109 -11.340 1.00 91.47 137 A 1 ATOM 1083 C C . GLU A 1 137 ? -3.815 9.897 -10.686 1.00 90.69 137 A 1 ATOM 1084 O O . GLU A 1 137 ? -3.362 8.764 -10.509 1.00 88.28 137 A 1 ATOM 1085 C CB . GLU A 1 137 ? -6.337 9.519 -10.509 1.00 89.62 137 A 1 ATOM 1086 C CG . GLU A 1 137 ? -6.549 10.298 -9.203 1.00 77.22 137 A 1 ATOM 1087 C CD . GLU A 1 137 ? -7.652 9.695 -8.297 1.00 75.66 137 A 1 ATOM 1088 O OE1 . GLU A 1 137 ? -7.945 10.296 -7.234 1.00 68.28 137 A 1 ATOM 1089 O OE2 . GLU A 1 137 ? -8.111 8.562 -8.544 1.00 70.31 137 A 1 ATOM 1090 N N . SER A 1 138 ? -3.141 10.988 -10.325 1.00 90.98 138 A 1 ATOM 1091 C CA . SER A 1 138 ? -1.844 10.950 -9.648 1.00 90.06 138 A 1 ATOM 1092 C C . SER A 1 138 ? -1.996 11.390 -8.198 1.00 90.66 138 A 1 ATOM 1093 O O . SER A 1 138 ? -2.527 12.456 -7.917 1.00 88.41 138 A 1 ATOM 1094 C CB . SER A 1 138 ? -0.819 11.824 -10.374 1.00 87.65 138 A 1 ATOM 1095 O OG . SER A 1 138 ? -0.571 11.305 -11.671 1.00 80.06 138 A 1 ATOM 1096 N N . LYS A 1 139 ? -1.495 10.571 -7.267 1.00 89.41 139 A 1 ATOM 1097 C CA . LYS A 1 139 ? -1.441 10.890 -5.834 1.00 89.58 139 A 1 ATOM 1098 C C . LYS A 1 139 ? -0.005 10.788 -5.347 1.00 89.27 139 A 1 ATOM 1099 O O . LYS A 1 139 ? 0.742 9.912 -5.783 1.00 87.37 139 A 1 ATOM 1100 C CB . LYS A 1 139 ? -2.367 9.970 -5.024 1.00 87.63 139 A 1 ATOM 1101 C CG . LYS A 1 139 ? -3.837 10.293 -5.321 1.00 77.66 139 A 1 ATOM 1102 C CD . LYS A 1 139 ? -4.825 9.394 -4.560 1.00 76.33 139 A 1 ATOM 1103 C CE . LYS A 1 139 ? -6.206 9.901 -4.977 1.00 66.11 139 A 1 ATOM 1104 N NZ . LYS A 1 139 ? -7.313 8.934 -4.874 1.00 57.76 139 A 1 ATOM 1105 N N . VAL A 1 140 ? 0.370 11.657 -4.412 1.00 89.97 140 A 1 ATOM 1106 C CA . VAL A 1 140 ? 1.662 11.556 -3.737 1.00 90.02 140 A 1 ATOM 1107 C C . VAL A 1 140 ? 1.674 10.264 -2.921 1.00 89.87 140 A 1 ATOM 1108 O O . VAL A 1 140 ? 0.843 10.055 -2.042 1.00 87.76 140 A 1 ATOM 1109 C CB . VAL A 1 140 ? 1.954 12.793 -2.871 1.00 87.87 140 A 1 ATOM 1110 C CG1 . VAL A 1 140 ? 3.335 12.683 -2.209 1.00 82.14 140 A 1 ATOM 1111 C CG2 . VAL A 1 140 ? 1.948 14.068 -3.724 1.00 82.19 140 A 1 ATOM 1112 N N . GLY A 1 141 ? 2.599 9.364 -3.253 1.00 89.03 141 A 1 ATOM 1113 C CA . GLY A 1 141 ? 2.824 8.137 -2.495 1.00 88.39 141 A 1 ATOM 1114 C C . GLY A 1 141 ? 3.613 8.395 -1.212 1.00 89.79 141 A 1 ATOM 1115 O O . GLY A 1 141 ? 4.254 9.431 -1.054 1.00 88.36 141 A 1 ATOM 1116 N N . SER A 1 142 ? 3.612 7.423 -0.299 1.00 87.19 142 A 1 ATOM 1117 C CA . SER A 1 142 ? 4.443 7.479 0.906 1.00 88.30 142 A 1 ATOM 1118 C C . SER A 1 142 ? 5.926 7.537 0.536 1.00 88.82 142 A 1 ATOM 1119 O O . SER A 1 142 ? 6.404 6.741 -0.276 1.00 86.73 142 A 1 ATOM 1120 C CB . SER A 1 142 ? 4.192 6.269 1.807 1.00 86.50 142 A 1 ATOM 1121 O OG . SER A 1 142 ? 2.820 6.198 2.142 1.00 75.50 142 A 1 ATOM 1122 N N . ALA A 1 143 ? 6.658 8.458 1.154 1.00 87.91 143 A 1 ATOM 1123 C CA . ALA A 1 143 ? 8.102 8.543 0.984 1.00 88.76 143 A 1 ATOM 1124 C C . ALA A 1 143 ? 8.800 7.329 1.620 1.00 89.52 143 A 1 ATOM 1125 O O . ALA A 1 143 ? 8.417 6.854 2.689 1.00 88.19 143 A 1 ATOM 1126 C CB . ALA A 1 143 ? 8.602 9.870 1.567 1.00 86.84 143 A 1 ATOM 1127 N N . SER A 1 144 ? 9.851 6.834 0.969 1.00 88.93 144 A 1 ATOM 1128 C CA . SER A 1 144 ? 10.766 5.834 1.522 1.00 90.13 144 A 1 ATOM 1129 C C . SER A 1 144 ? 12.072 6.505 1.930 1.00 90.87 144 A 1 ATOM 1130 O O . SER A 1 144 ? 12.577 7.354 1.196 1.00 89.81 144 A 1 ATOM 1131 C CB . SER A 1 144 ? 11.031 4.715 0.510 1.00 88.76 144 A 1 ATOM 1132 O OG . SER A 1 144 ? 11.591 5.235 -0.681 1.00 79.21 144 A 1 ATOM 1133 N N . LEU A 1 145 ? 12.639 6.091 3.066 1.00 86.52 145 A 1 ATOM 1134 C CA . LEU A 1 145 ? 13.913 6.591 3.570 1.00 87.49 145 A 1 ATOM 1135 C C . LEU A 1 145 ? 14.928 5.445 3.657 1.00 87.98 145 A 1 ATOM 1136 O O . LEU A 1 145 ? 14.637 4.375 4.197 1.00 87.61 145 A 1 ATOM 1137 C CB . LEU A 1 145 ? 13.671 7.287 4.926 1.00 86.80 145 A 1 ATOM 1138 C CG . LEU A 1 145 ? 14.915 7.976 5.519 1.00 81.76 145 A 1 ATOM 1139 C CD1 . LEU A 1 145 ? 15.398 9.139 4.661 1.00 76.92 145 A 1 ATOM 1140 C CD2 . LEU A 1 145 ? 14.584 8.516 6.913 1.00 80.37 145 A 1 ATOM 1141 N N . GLU A 1 146 ? 16.120 5.681 3.120 1.00 88.40 146 A 1 ATOM 1142 C CA . GLU A 1 146 ? 17.255 4.756 3.147 1.00 88.58 146 A 1 ATOM 1143 C C . GLU A 1 146 ? 18.546 5.538 3.390 1.00 87.96 146 A 1 ATOM 1144 O O . GLU A 1 146 ? 18.721 6.634 2.869 1.00 86.59 146 A 1 ATOM 1145 C CB . GLU A 1 146 ? 17.309 3.959 1.834 1.00 86.82 146 A 1 ATOM 1146 C CG . GLU A 1 146 ? 18.429 2.908 1.836 1.00 78.72 146 A 1 ATOM 1147 C CD . GLU A 1 146 ? 18.405 1.986 0.608 1.00 79.17 146 A 1 ATOM 1148 O OE1 . GLU A 1 146 ? 19.088 0.936 0.685 1.00 69.83 146 A 1 ATOM 1149 O OE2 . GLU A 1 146 ? 17.699 2.308 -0.371 1.00 73.71 146 A 1 ATOM 1150 N N . ILE A 1 147 ? 19.443 4.968 4.193 1.00 87.50 147 A 1 ATOM 1151 C CA . ILE A 1 147 ? 20.805 5.476 4.377 1.00 86.84 147 A 1 ATOM 1152 C C . ILE A 1 147 ? 21.729 4.585 3.558 1.00 86.91 147 A 1 ATOM 1153 O O . ILE A 1 147 ? 21.852 3.392 3.840 1.00 85.41 147 A 1 ATOM 1154 C CB . ILE A 1 147 ? 21.205 5.527 5.870 1.00 85.71 147 A 1 ATOM 1155 C CG1 . ILE A 1 147 ? 20.284 6.509 6.628 1.00 83.85 147 A 1 ATOM 1156 C CG2 . ILE A 1 147 ? 22.680 5.942 6.015 1.00 83.00 147 A 1 ATOM 1157 C CD1 . ILE A 1 147 ? 20.487 6.508 8.148 1.00 80.09 147 A 1 ATOM 1158 N N . VAL A 1 148 ? 22.361 5.174 2.546 1.00 85.24 148 A 1 ATOM 1159 C CA . VAL A 1 148 ? 23.350 4.494 1.705 1.00 85.18 148 A 1 ATOM 1160 C C . VAL A 1 148 ? 24.743 4.919 2.172 1.00 85.03 148 A 1 ATOM 1161 O O . VAL A 1 148 ? 25.031 6.118 2.180 1.00 84.18 148 A 1 ATOM 1162 C CB . VAL A 1 148 ? 23.132 4.804 0.213 1.00 84.49 148 A 1 ATOM 1163 C CG1 . VAL A 1 148 ? 24.095 3.990 -0.659 1.00 80.67 148 A 1 ATOM 1164 C CG2 . VAL A 1 148 ? 21.701 4.457 -0.225 1.00 81.35 148 A 1 ATOM 1165 N N . PRO A 1 149 ? 25.615 3.982 2.601 1.00 83.50 149 A 1 ATOM 1166 C CA . PRO A 1 149 ? 26.980 4.330 2.975 1.00 83.27 149 A 1 ATOM 1167 C C . PRO A 1 149 ? 27.742 4.875 1.759 1.00 84.76 149 A 1 ATOM 1168 O O . PRO A 1 149 ? 27.560 4.404 0.633 1.00 82.83 149 A 1 ATOM 1169 C CB . PRO A 1 149 ? 27.599 3.046 3.530 1.00 80.24 149 A 1 ATOM 1170 C CG . PRO A 1 149 ? 26.804 1.940 2.838 1.00 79.41 149 A 1 ATOM 1171 C CD . PRO A 1 149 ? 25.411 2.542 2.674 1.00 83.44 149 A 1 ATOM 1172 N N . ASN A 1 150 ? 28.610 5.847 1.996 1.00 85.98 150 A 1 ATOM 1173 C CA . ASN A 1 150 ? 29.509 6.340 0.955 1.00 86.97 150 A 1 ATOM 1174 C C . ASN A 1 150 ? 30.349 5.171 0.426 1.00 85.96 150 A 1 ATOM 1175 O O . ASN A 1 150 ? 30.885 4.381 1.204 1.00 81.83 150 A 1 ATOM 1176 C CB . ASN A 1 150 ? 30.392 7.476 1.511 1.00 83.90 150 A 1 ATOM 1177 C CG . ASN A 1 150 ? 29.617 8.753 1.787 1.00 79.18 150 A 1 ATOM 1178 O OD1 . ASN A 1 150 ? 28.580 9.019 1.208 1.00 72.11 150 A 1 ATOM 1179 N ND2 . ASN A 1 150 ? 30.106 9.594 2.667 1.00 71.87 150 A 1 ATOM 1180 N N . LYS A 1 151 ? 30.459 5.057 -0.901 1.00 83.57 151 A 1 ATOM 1181 C CA . LYS A 1 151 ? 31.419 4.127 -1.508 1.00 84.47 151 A 1 ATOM 1182 C C . LYS A 1 151 ? 32.821 4.607 -1.131 1.00 82.22 151 A 1 ATOM 1183 O O . LYS A 1 151 ? 33.140 5.767 -1.390 1.00 77.51 151 A 1 ATOM 1184 C CB . LYS A 1 151 ? 31.232 4.043 -3.030 1.00 81.41 151 A 1 ATOM 1185 C CG . LYS A 1 151 ? 29.930 3.322 -3.409 1.00 73.80 151 A 1 ATOM 1186 C CD . LYS A 1 151 ? 29.820 3.181 -4.933 1.00 68.41 151 A 1 ATOM 1187 C CE . LYS A 1 151 ? 28.542 2.425 -5.299 1.00 63.57 151 A 1 ATOM 1188 N NZ . LYS A 1 151 ? 28.410 2.278 -6.770 1.00 54.46 151 A 1 ATOM 1189 N N . ALA A 1 152 ? 33.572 3.738 -0.468 1.00 85.43 152 A 1 ATOM 1190 C CA . ALA A 1 152 ? 34.991 3.955 -0.206 1.00 85.16 152 A 1 ATOM 1191 C C . ALA A 1 152 ? 35.784 3.996 -1.520 1.00 80.77 152 A 1 ATOM 1192 O O . ALA A 1 152 ? 35.382 3.292 -2.472 1.00 73.93 152 A 1 ATOM 1193 C CB . ALA A 1 152 ? 35.488 2.863 0.751 1.00 78.29 152 A 1 ATOM 1194 O OXT . ALA A 1 152 ? 36.796 4.723 -1.525 1.00 66.84 152 A 1 #