# 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_acric11 # _entry.id acric11 # 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 ASN 2 1 n LYS 3 1 n GLU 4 1 n THR 5 1 n GLN 6 1 n ILE 7 1 n THR 8 1 n ALA 9 1 n SER 10 1 n ALA 11 1 n VAL 12 1 n VAL 13 1 n GLY 14 1 n GLU 15 1 n ASP 16 1 n LYS 17 1 n ARG 18 1 n LEU 19 1 n GLU 20 1 n PHE 21 1 n LEU 22 1 n SER 23 1 n LYS 24 1 n HIS 25 1 n PHE 26 1 n GLY 27 1 n VAL 28 1 n ARG 29 1 n PHE 30 1 n ALA 31 1 n ARG 32 1 n ARG 33 1 n GLY 34 1 n GLU 35 1 n ALA 36 1 n LEU 37 1 n VAL 38 1 n PHE 39 1 n ALA 40 1 n TRP 41 1 n LEU 42 1 n LEU 43 1 n ARG 44 1 n LEU 45 1 n ALA 46 1 n LYS 47 1 n VAL 48 1 n PRO 49 1 n ILE 50 1 n GLU 51 1 n TRP 52 1 n THR 53 1 n ARG 54 1 n LEU 55 1 n GLN 56 1 n TYR 57 1 n TYR 58 1 n THR 59 1 n LEU 60 1 n SER 61 1 n ASN 62 1 n SER 63 1 n GLY 64 1 n PHE 65 1 n TYR 66 1 n LEU 67 1 n ALA 68 1 n PRO 69 1 n ARG 70 1 n GLU 71 1 n LEU 72 1 n ARG 73 1 n ILE 74 1 n SER 75 1 n GLU 76 1 n CYS 77 1 n GLU 78 1 n LEU 79 1 n SER 80 1 n ALA 81 1 n ASP 82 1 n ALA 83 1 n VAL 84 1 n GLY 85 1 n ILE 86 1 n VAL 87 1 n ALA 88 1 n THR 89 1 n MET 90 1 n LEU 91 1 n THR 92 1 n LEU 93 1 n ARG 94 1 n GLN 95 1 n LEU 96 1 n ALA 97 1 n HIS 98 1 n GLU 99 1 n SER 100 1 n ALA 101 1 n ALA 102 1 n CYS 103 1 n VAL 104 1 n GLU 105 1 n ALA 106 1 n ASP 107 1 n SER 108 1 n THR 109 1 n TYR 110 1 n PRO 111 1 n ALA 112 1 n ALA 113 1 n LYS 114 1 n LEU 115 1 n ALA 116 1 n VAL 117 1 n THR 118 1 n ALA 119 1 n SER 120 1 n VAL 121 1 n LYS 122 1 n PHE 123 1 n ALA 124 1 n GLN 125 1 n GLN 126 1 n TYR 127 1 n HIS 128 1 n HIS 129 1 n LEU 130 1 n ALA 131 1 n ALA 132 1 n TYR 133 1 n SER 134 1 n VAL 135 1 n LYS 136 1 n HIS 137 1 n ALA 138 1 n GLU 139 1 n SER 140 1 n ILE 141 1 n ASN 142 1 n ILE 143 1 n TYR 144 1 n ARG 145 1 n ALA 146 1 n ILE 147 1 n ASP 148 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-06 19:36:43)" _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 83.24 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 53.35 1 1 A ASN 2 2 59.73 1 2 A LYS 3 2 62.09 1 3 A GLU 4 2 64.07 1 4 A THR 5 2 75.32 1 5 A GLN 6 2 77.40 1 6 A ILE 7 2 89.48 1 7 A THR 8 2 89.07 1 8 A ALA 9 2 87.97 1 9 A SER 10 2 85.57 1 10 A ALA 11 2 86.10 1 11 A VAL 12 2 79.53 1 12 A VAL 13 2 63.11 1 13 A GLY 14 2 75.41 1 14 A GLU 15 2 67.74 1 15 A ASP 16 2 72.24 1 16 A LYS 17 2 78.87 1 17 A ARG 18 2 76.50 1 18 A LEU 19 2 82.22 1 19 A GLU 20 2 82.48 1 20 A PHE 21 2 90.44 1 21 A LEU 22 2 90.92 1 22 A SER 23 2 89.91 1 23 A LYS 24 2 87.15 1 24 A HIS 25 2 90.13 1 25 A PHE 26 2 92.69 1 26 A GLY 27 2 91.75 1 27 A VAL 28 2 88.45 1 28 A ARG 29 2 74.79 1 29 A PHE 30 2 90.23 1 30 A ALA 31 2 92.43 1 31 A ARG 32 2 76.50 1 32 A ARG 33 2 84.98 1 33 A GLY 34 2 95.37 1 34 A GLU 35 2 90.90 1 35 A ALA 36 2 95.19 1 36 A LEU 37 2 93.82 1 37 A VAL 38 2 95.32 1 38 A PHE 39 2 89.08 1 39 A ALA 40 2 94.93 1 40 A TRP 41 2 94.36 1 41 A LEU 42 2 92.47 1 42 A LEU 43 2 89.78 1 43 A ARG 44 2 79.61 1 44 A LEU 45 2 88.65 1 45 A ALA 46 2 84.25 1 46 A LYS 47 2 76.25 1 47 A VAL 48 2 77.57 1 48 A PRO 49 2 80.61 1 49 A ILE 50 2 80.21 1 50 A GLU 51 2 73.92 1 51 A TRP 52 2 64.11 1 52 A THR 53 2 71.11 1 53 A ARG 54 2 67.89 1 54 A LEU 55 2 84.15 1 55 A GLN 56 2 82.54 1 56 A TYR 57 2 88.27 1 57 A TYR 58 2 92.82 1 58 A THR 59 2 90.94 1 59 A LEU 60 2 93.82 1 60 A SER 61 2 93.66 1 61 A ASN 62 2 93.17 1 62 A SER 63 2 91.98 1 63 A GLY 64 2 94.43 1 64 A PHE 65 2 95.02 1 65 A TYR 66 2 95.55 1 66 A LEU 67 2 93.17 1 67 A ALA 68 2 93.58 1 68 A PRO 69 2 90.73 1 69 A ARG 70 2 72.50 1 70 A GLU 71 2 71.64 1 71 A LEU 72 2 73.52 1 72 A ARG 73 2 57.53 1 73 A ILE 74 2 59.25 1 74 A SER 75 2 60.99 1 75 A GLU 76 2 59.86 1 76 A CYS 77 2 73.19 1 77 A GLU 78 2 72.59 1 78 A LEU 79 2 87.19 1 79 A SER 80 2 91.73 1 80 A ALA 81 2 92.42 1 81 A ASP 82 2 89.12 1 82 A ALA 83 2 95.05 1 83 A VAL 84 2 91.01 1 84 A GLY 85 2 95.94 1 85 A ILE 86 2 96.36 1 86 A VAL 87 2 95.75 1 87 A ALA 88 2 96.38 1 88 A THR 89 2 96.42 1 89 A MET 90 2 94.47 1 90 A LEU 91 2 96.05 1 91 A THR 92 2 95.96 1 92 A LEU 93 2 95.93 1 93 A ARG 94 2 83.99 1 94 A GLN 95 2 92.96 1 95 A LEU 96 2 94.04 1 96 A ALA 97 2 94.14 1 97 A HIS 98 2 82.58 1 98 A GLU 99 2 87.49 1 99 A SER 100 2 85.73 1 100 A ALA 101 2 83.94 1 101 A ALA 102 2 81.97 1 102 A CYS 103 2 72.00 1 103 A VAL 104 2 68.25 1 104 A GLU 105 2 61.01 1 105 A ALA 106 2 69.91 1 106 A ASP 107 2 57.08 1 107 A SER 108 2 59.38 1 108 A THR 109 2 59.46 1 109 A TYR 110 2 51.45 1 110 A PRO 111 2 68.75 1 111 A ALA 112 2 75.05 1 112 A ALA 113 2 74.36 1 113 A LYS 114 2 71.44 1 114 A LEU 115 2 73.15 1 115 A ALA 116 2 79.11 1 116 A VAL 117 2 78.43 1 117 A THR 118 2 78.55 1 118 A ALA 119 2 86.19 1 119 A SER 120 2 88.12 1 120 A VAL 121 2 90.80 1 121 A LYS 122 2 86.99 1 122 A PHE 123 2 93.84 1 123 A ALA 124 2 95.60 1 124 A GLN 125 2 86.27 1 125 A GLN 126 2 90.09 1 126 A TYR 127 2 95.25 1 127 A HIS 128 2 91.14 1 128 A HIS 129 2 91.84 1 129 A LEU 130 2 95.93 1 130 A ALA 131 2 96.33 1 131 A ALA 132 2 95.99 1 132 A TYR 133 2 94.74 1 133 A SER 134 2 94.38 1 134 A VAL 135 2 92.10 1 135 A LYS 136 2 85.43 1 136 A HIS 137 2 92.05 1 137 A ALA 138 2 93.72 1 138 A GLU 139 2 91.02 1 139 A SER 140 2 92.99 1 140 A ILE 141 2 89.81 1 141 A ASN 142 2 88.68 1 142 A ILE 143 2 93.07 1 143 A TYR 144 2 81.90 1 144 A ARG 145 2 79.86 1 145 A ALA 146 2 89.06 1 146 A ILE 147 2 83.42 1 147 A ASP 148 2 75.31 1 148 # _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 ASN . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n GLU . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n GLN . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n GLU . 15 A 15 A 16 1 n ASP . 16 A 16 A 17 1 n LYS . 17 A 17 A 18 1 n ARG . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n GLU . 20 A 20 A 21 1 n PHE . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n SER . 23 A 23 A 24 1 n LYS . 24 A 24 A 25 1 n HIS . 25 A 25 A 26 1 n PHE . 26 A 26 A 27 1 n GLY . 27 A 27 A 28 1 n VAL . 28 A 28 A 29 1 n ARG . 29 A 29 A 30 1 n PHE . 30 A 30 A 31 1 n ALA . 31 A 31 A 32 1 n ARG . 32 A 32 A 33 1 n ARG . 33 A 33 A 34 1 n GLY . 34 A 34 A 35 1 n GLU . 35 A 35 A 36 1 n ALA . 36 A 36 A 37 1 n LEU . 37 A 37 A 38 1 n VAL . 38 A 38 A 39 1 n PHE . 39 A 39 A 40 1 n ALA . 40 A 40 A 41 1 n TRP . 41 A 41 A 42 1 n LEU . 42 A 42 A 43 1 n LEU . 43 A 43 A 44 1 n ARG . 44 A 44 A 45 1 n LEU . 45 A 45 A 46 1 n ALA . 46 A 46 A 47 1 n LYS . 47 A 47 A 48 1 n VAL . 48 A 48 A 49 1 n PRO . 49 A 49 A 50 1 n ILE . 50 A 50 A 51 1 n GLU . 51 A 51 A 52 1 n TRP . 52 A 52 A 53 1 n THR . 53 A 53 A 54 1 n ARG . 54 A 54 A 55 1 n LEU . 55 A 55 A 56 1 n GLN . 56 A 56 A 57 1 n TYR . 57 A 57 A 58 1 n TYR . 58 A 58 A 59 1 n THR . 59 A 59 A 60 1 n LEU . 60 A 60 A 61 1 n SER . 61 A 61 A 62 1 n ASN . 62 A 62 A 63 1 n SER . 63 A 63 A 64 1 n GLY . 64 A 64 A 65 1 n PHE . 65 A 65 A 66 1 n TYR . 66 A 66 A 67 1 n LEU . 67 A 67 A 68 1 n ALA . 68 A 68 A 69 1 n PRO . 69 A 69 A 70 1 n ARG . 70 A 70 A 71 1 n GLU . 71 A 71 A 72 1 n LEU . 72 A 72 A 73 1 n ARG . 73 A 73 A 74 1 n ILE . 74 A 74 A 75 1 n SER . 75 A 75 A 76 1 n GLU . 76 A 76 A 77 1 n CYS . 77 A 77 A 78 1 n GLU . 78 A 78 A 79 1 n LEU . 79 A 79 A 80 1 n SER . 80 A 80 A 81 1 n ALA . 81 A 81 A 82 1 n ASP . 82 A 82 A 83 1 n ALA . 83 A 83 A 84 1 n VAL . 84 A 84 A 85 1 n GLY . 85 A 85 A 86 1 n ILE . 86 A 86 A 87 1 n VAL . 87 A 87 A 88 1 n ALA . 88 A 88 A 89 1 n THR . 89 A 89 A 90 1 n MET . 90 A 90 A 91 1 n LEU . 91 A 91 A 92 1 n THR . 92 A 92 A 93 1 n LEU . 93 A 93 A 94 1 n ARG . 94 A 94 A 95 1 n GLN . 95 A 95 A 96 1 n LEU . 96 A 96 A 97 1 n ALA . 97 A 97 A 98 1 n HIS . 98 A 98 A 99 1 n GLU . 99 A 99 A 100 1 n SER . 100 A 100 A 101 1 n ALA . 101 A 101 A 102 1 n ALA . 102 A 102 A 103 1 n CYS . 103 A 103 A 104 1 n VAL . 104 A 104 A 105 1 n GLU . 105 A 105 A 106 1 n ALA . 106 A 106 A 107 1 n ASP . 107 A 107 A 108 1 n SER . 108 A 108 A 109 1 n THR . 109 A 109 A 110 1 n TYR . 110 A 110 A 111 1 n PRO . 111 A 111 A 112 1 n ALA . 112 A 112 A 113 1 n ALA . 113 A 113 A 114 1 n LYS . 114 A 114 A 115 1 n LEU . 115 A 115 A 116 1 n ALA . 116 A 116 A 117 1 n VAL . 117 A 117 A 118 1 n THR . 118 A 118 A 119 1 n ALA . 119 A 119 A 120 1 n SER . 120 A 120 A 121 1 n VAL . 121 A 121 A 122 1 n LYS . 122 A 122 A 123 1 n PHE . 123 A 123 A 124 1 n ALA . 124 A 124 A 125 1 n GLN . 125 A 125 A 126 1 n GLN . 126 A 126 A 127 1 n TYR . 127 A 127 A 128 1 n HIS . 128 A 128 A 129 1 n HIS . 129 A 129 A 130 1 n LEU . 130 A 130 A 131 1 n ALA . 131 A 131 A 132 1 n ALA . 132 A 132 A 133 1 n TYR . 133 A 133 A 134 1 n SER . 134 A 134 A 135 1 n VAL . 135 A 135 A 136 1 n LYS . 136 A 136 A 137 1 n HIS . 137 A 137 A 138 1 n ALA . 138 A 138 A 139 1 n GLU . 139 A 139 A 140 1 n SER . 140 A 140 A 141 1 n ILE . 141 A 141 A 142 1 n ASN . 142 A 142 A 143 1 n ILE . 143 A 143 A 144 1 n TYR . 144 A 144 A 145 1 n ARG . 145 A 145 A 146 1 n ALA . 146 A 146 A 147 1 n ILE . 147 A 147 A 148 1 n ASP . 148 A 148 # _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 ? -20.882 21.749 -11.688 1.00 43.94 1 A 1 ATOM 2 C CA . MET A 1 1 ? -20.852 21.257 -10.295 1.00 61.30 1 A 1 ATOM 3 C C . MET A 1 1 ? -20.071 19.949 -10.288 1.00 63.50 1 A 1 ATOM 4 O O . MET A 1 1 ? -20.616 18.929 -10.690 1.00 60.41 1 A 1 ATOM 5 C CB . MET A 1 1 ? -22.269 21.051 -9.733 1.00 57.74 1 A 1 ATOM 6 C CG . MET A 1 1 ? -22.996 22.377 -9.482 1.00 52.43 1 A 1 ATOM 7 S SD . MET A 1 1 ? -24.780 22.188 -9.185 1.00 47.97 1 A 1 ATOM 8 C CE . MET A 1 1 ? -24.832 21.943 -7.392 1.00 39.53 1 A 1 ATOM 9 N N . ASN A 1 2 ? -18.780 19.988 -9.940 1.00 62.62 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -17.975 18.774 -9.790 1.00 67.76 2 A 1 ATOM 11 C C . ASN A 1 2 ? -18.482 18.021 -8.557 1.00 66.02 2 A 1 ATOM 12 O O . ASN A 1 2 ? -18.221 18.433 -7.431 1.00 63.93 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -16.474 19.126 -9.669 1.00 62.81 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -15.713 19.065 -10.980 1.00 54.65 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -16.247 18.725 -12.021 1.00 51.10 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -14.442 19.393 -10.971 1.00 48.97 2 A 1 ATOM 17 N N . LYS A 1 3 ? -19.224 16.922 -8.766 1.00 68.35 3 A 1 ATOM 18 C CA . LYS A 1 3 ? -19.353 15.896 -7.732 1.00 72.06 3 A 1 ATOM 19 C C . LYS A 1 3 ? -17.962 15.281 -7.578 1.00 72.57 3 A 1 ATOM 20 O O . LYS A 1 3 ? -17.602 14.383 -8.332 1.00 69.03 3 A 1 ATOM 21 C CB . LYS A 1 3 ? -20.404 14.837 -8.114 1.00 67.30 3 A 1 ATOM 22 C CG . LYS A 1 3 ? -21.790 15.100 -7.505 1.00 59.98 3 A 1 ATOM 23 C CD . LYS A 1 3 ? -22.762 13.965 -7.877 1.00 56.87 3 A 1 ATOM 24 C CE . LYS A 1 3 ? -24.115 14.141 -7.176 1.00 49.60 3 A 1 ATOM 25 N NZ . LYS A 1 3 ? -25.074 13.069 -7.542 1.00 43.07 3 A 1 ATOM 26 N N . GLU A 1 4 ? -17.164 15.801 -6.657 1.00 70.35 4 A 1 ATOM 27 C CA . GLU A 1 4 ? -15.967 15.101 -6.215 1.00 75.58 4 A 1 ATOM 28 C C . GLU A 1 4 ? -16.405 13.747 -5.662 1.00 78.03 4 A 1 ATOM 29 O O . GLU A 1 4 ? -16.952 13.652 -4.565 1.00 74.07 4 A 1 ATOM 30 C CB . GLU A 1 4 ? -15.220 15.882 -5.138 1.00 68.39 4 A 1 ATOM 31 C CG . GLU A 1 4 ? -14.445 17.086 -5.669 1.00 57.91 4 A 1 ATOM 32 C CD . GLU A 1 4 ? -13.474 17.633 -4.614 1.00 54.02 4 A 1 ATOM 33 O OE1 . GLU A 1 4 ? -12.748 18.594 -4.939 1.00 49.43 4 A 1 ATOM 34 O OE2 . GLU A 1 4 ? -13.429 17.043 -3.501 1.00 48.87 4 A 1 ATOM 35 N N . THR A 1 5 ? -16.225 12.703 -6.468 1.00 77.91 5 A 1 ATOM 36 C CA . THR A 1 5 ? -16.552 11.338 -6.073 1.00 81.79 5 A 1 ATOM 37 C C . THR A 1 5 ? -15.665 11.004 -4.882 1.00 84.76 5 A 1 ATOM 38 O O . THR A 1 5 ? -14.442 10.963 -5.004 1.00 80.74 5 A 1 ATOM 39 C CB . THR A 1 5 ? -16.339 10.360 -7.233 1.00 75.01 5 A 1 ATOM 40 O OG1 . THR A 1 5 ? -16.932 10.876 -8.411 1.00 64.00 5 A 1 ATOM 41 C CG2 . THR A 1 5 ? -16.992 9.010 -6.961 1.00 63.05 5 A 1 ATOM 42 N N . GLN A 1 6 ? -16.274 10.835 -3.705 1.00 87.07 6 A 1 ATOM 43 C CA . GLN A 1 6 ? -15.549 10.477 -2.495 1.00 89.43 6 A 1 ATOM 44 C C . GLN A 1 6 ? -14.892 9.113 -2.707 1.00 91.52 6 A 1 ATOM 45 O O . GLN A 1 6 ? -15.569 8.132 -3.004 1.00 89.70 6 A 1 ATOM 46 C CB . GLN A 1 6 ? -16.515 10.510 -1.303 1.00 84.56 6 A 1 ATOM 47 C CG . GLN A 1 6 ? -15.812 10.272 0.042 1.00 72.13 6 A 1 ATOM 48 C CD . GLN A 1 6 ? -16.747 10.460 1.237 1.00 65.67 6 A 1 ATOM 49 O OE1 . GLN A 1 6 ? -17.923 10.756 1.105 1.00 60.61 6 A 1 ATOM 50 N NE2 . GLN A 1 6 ? -16.252 10.316 2.446 1.00 55.87 6 A 1 ATOM 51 N N . ILE A 1 7 ? -13.564 9.066 -2.599 1.00 87.60 7 A 1 ATOM 52 C CA . ILE A 1 7 ? -12.818 7.808 -2.688 1.00 89.96 7 A 1 ATOM 53 C C . ILE A 1 7 ? -13.029 7.062 -1.374 1.00 91.07 7 A 1 ATOM 54 O O . ILE A 1 7 ? -12.766 7.604 -0.304 1.00 90.79 7 A 1 ATOM 55 C CB . ILE A 1 7 ? -11.325 8.050 -3.001 1.00 90.83 7 A 1 ATOM 56 C CG1 . ILE A 1 7 ? -11.145 8.861 -4.308 1.00 90.04 7 A 1 ATOM 57 C CG2 . ILE A 1 7 ? -10.590 6.701 -3.109 1.00 88.96 7 A 1 ATOM 58 C CD1 . ILE A 1 7 ? -9.724 9.395 -4.511 1.00 86.57 7 A 1 ATOM 59 N N . THR A 1 8 ? -13.511 5.823 -1.464 1.00 89.47 8 A 1 ATOM 60 C CA . THR A 1 8 ? -13.779 4.961 -0.309 1.00 89.58 8 A 1 ATOM 61 C C . THR A 1 8 ? -12.803 3.793 -0.280 1.00 89.95 8 A 1 ATOM 62 O O . THR A 1 8 ? -12.426 3.271 -1.333 1.00 91.02 8 A 1 ATOM 63 C CB . THR A 1 8 ? -15.227 4.456 -0.300 1.00 89.47 8 A 1 ATOM 64 O OG1 . THR A 1 8 ? -15.530 3.764 -1.492 1.00 87.54 8 A 1 ATOM 65 C CG2 . THR A 1 8 ? -16.228 5.603 -0.172 1.00 86.49 8 A 1 ATOM 66 N N . ALA A 1 9 ? -12.401 3.377 0.918 1.00 87.84 9 A 1 ATOM 67 C CA . ALA A 1 9 ? -11.592 2.189 1.158 1.00 87.64 9 A 1 ATOM 68 C C . ALA A 1 9 ? -12.480 1.022 1.610 1.00 88.27 9 A 1 ATOM 69 O O . ALA A 1 9 ? -13.415 1.203 2.383 1.00 88.54 9 A 1 ATOM 70 C CB . ALA A 1 9 ? -10.508 2.518 2.190 1.00 87.54 9 A 1 ATOM 71 N N . SER A 1 10 ? -12.188 -0.179 1.120 1.00 88.09 10 A 1 ATOM 72 C CA . SER A 1 10 ? -12.868 -1.420 1.505 1.00 87.32 10 A 1 ATOM 73 C C . SER A 1 10 ? -11.837 -2.485 1.853 1.00 87.30 10 A 1 ATOM 74 O O . SER A 1 10 ? -10.959 -2.785 1.042 1.00 88.67 10 A 1 ATOM 75 C CB . SER A 1 10 ? -13.774 -1.916 0.378 1.00 86.90 10 A 1 ATOM 76 O OG . SER A 1 10 ? -14.776 -0.952 0.101 1.00 75.15 10 A 1 ATOM 77 N N . ALA A 1 11 ? -11.949 -3.072 3.048 1.00 88.18 11 A 1 ATOM 78 C CA . ALA A 1 11 ? -11.078 -4.160 3.474 1.00 86.83 11 A 1 ATOM 79 C C . ALA A 1 11 ? -11.353 -5.430 2.655 1.00 85.52 11 A 1 ATOM 80 O O . ALA A 1 11 ? -12.503 -5.821 2.441 1.00 83.87 11 A 1 ATOM 81 C CB . ALA A 1 11 ? -11.252 -4.398 4.980 1.00 86.08 11 A 1 ATOM 82 N N . VAL A 1 12 ? -10.288 -6.096 2.217 1.00 87.52 12 A 1 ATOM 83 C CA . VAL A 1 12 ? -10.368 -7.403 1.563 1.00 82.85 12 A 1 ATOM 84 C C . VAL A 1 12 ? -10.520 -8.472 2.639 1.00 79.90 12 A 1 ATOM 85 O O . VAL A 1 12 ? -9.628 -8.703 3.453 1.00 75.64 12 A 1 ATOM 86 C CB . VAL A 1 12 ? -9.154 -7.662 0.657 1.00 80.80 12 A 1 ATOM 87 C CG1 . VAL A 1 12 ? -9.251 -9.025 -0.033 1.00 74.40 12 A 1 ATOM 88 C CG2 . VAL A 1 12 ? -9.063 -6.590 -0.441 1.00 75.60 12 A 1 ATOM 89 N N . VAL A 1 13 ? -11.670 -9.144 2.633 1.00 73.79 13 A 1 ATOM 90 C CA . VAL A 1 13 ? -11.997 -10.206 3.586 1.00 68.73 13 A 1 ATOM 91 C C . VAL A 1 13 ? -11.600 -11.563 3.004 1.00 70.69 13 A 1 ATOM 92 O O . VAL A 1 13 ? -12.075 -11.940 1.932 1.00 64.28 13 A 1 ATOM 93 C CB . VAL A 1 13 ? -13.494 -10.174 3.972 1.00 58.81 13 A 1 ATOM 94 C CG1 . VAL A 1 13 ? -13.800 -11.193 5.076 1.00 51.69 13 A 1 ATOM 95 C CG2 . VAL A 1 13 ? -13.923 -8.787 4.483 1.00 53.79 13 A 1 ATOM 96 N N . GLY A 1 14 ? -10.772 -12.303 3.740 1.00 76.06 14 A 1 ATOM 97 C CA . GLY A 1 14 ? -10.342 -13.666 3.411 1.00 75.47 14 A 1 ATOM 98 C C . GLY A 1 14 ? -8.857 -13.754 3.044 1.00 77.11 14 A 1 ATOM 99 O O . GLY A 1 14 ? -8.379 -13.012 2.189 1.00 72.98 14 A 1 ATOM 100 N N . GLU A 1 15 ? -8.127 -14.665 3.690 1.00 76.24 15 A 1 ATOM 101 C CA . GLU A 1 15 ? -6.697 -14.887 3.429 1.00 77.08 15 A 1 ATOM 102 C C . GLU A 1 15 ? -6.457 -15.412 2.009 1.00 79.82 15 A 1 ATOM 103 O O . GLU A 1 15 ? -5.512 -14.983 1.347 1.00 77.69 15 A 1 ATOM 104 C CB . GLU A 1 15 ? -6.094 -15.835 4.475 1.00 72.54 15 A 1 ATOM 105 C CG . GLU A 1 15 ? -6.249 -15.271 5.895 1.00 62.82 15 A 1 ATOM 106 C CD . GLU A 1 15 ? -5.248 -15.878 6.882 1.00 57.60 15 A 1 ATOM 107 O OE1 . GLU A 1 15 ? -4.647 -15.044 7.606 1.00 53.66 15 A 1 ATOM 108 O OE2 . GLU A 1 15 ? -5.062 -17.110 6.857 1.00 52.20 15 A 1 ATOM 109 N N . ASP A 1 16 ? -7.382 -16.223 1.494 1.00 77.70 16 A 1 ATOM 110 C CA . ASP A 1 16 ? -7.319 -16.800 0.145 1.00 78.64 16 A 1 ATOM 111 C C . ASP A 1 16 ? -7.305 -15.730 -0.958 1.00 80.93 16 A 1 ATOM 112 O O . ASP A 1 16 ? -6.750 -15.939 -2.038 1.00 77.56 16 A 1 ATOM 113 C CB . ASP A 1 16 ? -8.525 -17.735 -0.053 1.00 74.65 16 A 1 ATOM 114 C CG . ASP A 1 16 ? -8.650 -18.800 1.042 1.00 66.25 16 A 1 ATOM 115 O OD1 . ASP A 1 16 ? -7.594 -19.264 1.525 1.00 60.96 16 A 1 ATOM 116 O OD2 . ASP A 1 16 ? -9.808 -19.081 1.416 1.00 61.26 16 A 1 ATOM 117 N N . LYS A 1 17 ? -7.865 -14.547 -0.680 1.00 83.76 17 A 1 ATOM 118 C CA . LYS A 1 17 ? -7.923 -13.430 -1.634 1.00 84.89 17 A 1 ATOM 119 C C . LYS A 1 17 ? -6.661 -12.563 -1.639 1.00 87.05 17 A 1 ATOM 120 O O . LYS A 1 17 ? -6.516 -11.708 -2.515 1.00 85.74 17 A 1 ATOM 121 C CB . LYS A 1 17 ? -9.174 -12.585 -1.381 1.00 83.25 17 A 1 ATOM 122 C CG . LYS A 1 17 ? -10.458 -13.394 -1.609 1.00 79.83 17 A 1 ATOM 123 C CD . LYS A 1 17 ? -11.685 -12.488 -1.498 1.00 74.93 17 A 1 ATOM 124 C CE . LYS A 1 17 ? -12.945 -13.323 -1.737 1.00 69.81 17 A 1 ATOM 125 N NZ . LYS A 1 17 ? -14.166 -12.495 -1.630 1.00 60.53 17 A 1 ATOM 126 N N . ARG A 1 18 ? -5.743 -12.747 -0.687 1.00 88.01 18 A 1 ATOM 127 C CA . ARG A 1 18 ? -4.523 -11.931 -0.578 1.00 88.44 18 A 1 ATOM 128 C C . ARG A 1 18 ? -3.622 -12.094 -1.796 1.00 90.27 18 A 1 ATOM 129 O O . ARG A 1 18 ? -3.161 -11.103 -2.357 1.00 89.85 18 A 1 ATOM 130 C CB . ARG A 1 18 ? -3.752 -12.280 0.707 1.00 85.72 18 A 1 ATOM 131 C CG . ARG A 1 18 ? -4.464 -11.804 1.981 1.00 77.88 18 A 1 ATOM 132 C CD . ARG A 1 18 ? -3.632 -12.178 3.218 1.00 75.53 18 A 1 ATOM 133 N NE . ARG A 1 18 ? -4.199 -11.629 4.467 1.00 68.62 18 A 1 ATOM 134 C CZ . ARG A 1 18 ? -3.908 -12.026 5.697 1.00 63.30 18 A 1 ATOM 135 N NH1 . ARG A 1 18 ? -3.027 -12.952 5.943 1.00 59.65 18 A 1 ATOM 136 N NH2 . ARG A 1 18 ? -4.513 -11.504 6.720 1.00 54.26 18 A 1 ATOM 137 N N . LEU A 1 19 ? -3.415 -13.330 -2.252 1.00 87.17 19 A 1 ATOM 138 C CA . LEU A 1 19 ? -2.559 -13.590 -3.413 1.00 87.99 19 A 1 ATOM 139 C C . LEU A 1 19 ? -3.145 -12.995 -4.704 1.00 90.27 19 A 1 ATOM 140 O O . LEU A 1 19 ? -2.415 -12.412 -5.508 1.00 90.52 19 A 1 ATOM 141 C CB . LEU A 1 19 ? -2.333 -15.106 -3.543 1.00 85.93 19 A 1 ATOM 142 C CG . LEU A 1 19 ? -1.365 -15.487 -4.681 1.00 75.20 19 A 1 ATOM 143 C CD1 . LEU A 1 19 ? 0.042 -14.926 -4.457 1.00 70.93 19 A 1 ATOM 144 C CD2 . LEU A 1 19 ? -1.270 -17.008 -4.785 1.00 69.78 19 A 1 ATOM 145 N N . GLU A 1 20 ? -4.464 -13.108 -4.884 1.00 89.74 20 A 1 ATOM 146 C CA . GLU A 1 20 ? -5.168 -12.479 -6.006 1.00 90.17 20 A 1 ATOM 147 C C . GLU A 1 20 ? -5.042 -10.952 -5.947 1.00 91.06 20 A 1 ATOM 148 O O . GLU A 1 20 ? -4.677 -10.318 -6.940 1.00 90.83 20 A 1 ATOM 149 C CB . GLU A 1 20 ? -6.642 -12.911 -5.981 1.00 89.48 20 A 1 ATOM 150 C CG . GLU A 1 20 ? -7.392 -12.430 -7.232 1.00 78.68 20 A 1 ATOM 151 C CD . GLU A 1 20 ? -8.907 -12.674 -7.177 1.00 75.67 20 A 1 ATOM 152 O OE1 . GLU A 1 20 ? -9.597 -12.088 -8.042 1.00 67.72 20 A 1 ATOM 153 O OE2 . GLU A 1 20 ? -9.371 -13.389 -6.264 1.00 68.96 20 A 1 ATOM 154 N N . PHE A 1 21 ? -5.263 -10.368 -4.764 1.00 90.61 21 A 1 ATOM 155 C CA . PHE A 1 21 ? -5.098 -8.937 -4.527 1.00 91.52 21 A 1 ATOM 156 C C . PHE A 1 21 ? -3.681 -8.462 -4.883 1.00 92.91 21 A 1 ATOM 157 O O . PHE A 1 21 ? -3.514 -7.535 -5.676 1.00 92.47 21 A 1 ATOM 158 C CB . PHE A 1 21 ? -5.437 -8.642 -3.060 1.00 91.15 21 A 1 ATOM 159 C CG . PHE A 1 21 ? -5.153 -7.219 -2.627 1.00 91.26 21 A 1 ATOM 160 C CD1 . PHE A 1 21 ? -3.845 -6.829 -2.283 1.00 89.77 21 A 1 ATOM 161 C CD2 . PHE A 1 21 ? -6.204 -6.286 -2.558 1.00 90.14 21 A 1 ATOM 162 C CE1 . PHE A 1 21 ? -3.592 -5.514 -1.871 1.00 88.39 21 A 1 ATOM 163 C CE2 . PHE A 1 21 ? -5.947 -4.973 -2.135 1.00 88.36 21 A 1 ATOM 164 C CZ . PHE A 1 21 ? -4.639 -4.587 -1.791 1.00 88.26 21 A 1 ATOM 165 N N . LEU A 1 22 ? -2.649 -9.123 -4.347 1.00 91.09 22 A 1 ATOM 166 C CA . LEU A 1 22 ? -1.254 -8.766 -4.611 1.00 91.56 22 A 1 ATOM 167 C C . LEU A 1 22 ? -0.913 -8.901 -6.099 1.00 92.65 22 A 1 ATOM 168 O O . LEU A 1 22 ? -0.297 -8.012 -6.685 1.00 92.95 22 A 1 ATOM 169 C CB . LEU A 1 22 ? -0.337 -9.657 -3.761 1.00 91.55 22 A 1 ATOM 170 C CG . LEU A 1 22 ? -0.394 -9.396 -2.247 1.00 90.57 22 A 1 ATOM 171 C CD1 . LEU A 1 22 ? 0.374 -10.506 -1.533 1.00 88.52 22 A 1 ATOM 172 C CD2 . LEU A 1 22 ? 0.211 -8.045 -1.867 1.00 88.50 22 A 1 ATOM 173 N N . SER A 1 23 ? -1.375 -9.980 -6.739 1.00 91.70 23 A 1 ATOM 174 C CA . SER A 1 23 ? -1.168 -10.201 -8.174 1.00 91.76 23 A 1 ATOM 175 C C . SER A 1 23 ? -1.878 -9.149 -9.030 1.00 92.00 23 A 1 ATOM 176 O O . SER A 1 23 ? -1.339 -8.706 -10.044 1.00 91.25 23 A 1 ATOM 177 C CB . SER A 1 23 ? -1.660 -11.594 -8.576 1.00 91.20 23 A 1 ATOM 178 O OG . SER A 1 23 ? -0.959 -12.584 -7.858 1.00 81.52 23 A 1 ATOM 179 N N . LYS A 1 24 ? -3.067 -8.707 -8.621 1.00 92.01 24 A 1 ATOM 180 C CA . LYS A 1 24 ? -3.819 -7.643 -9.296 1.00 92.00 24 A 1 ATOM 181 C C . LYS A 1 24 ? -3.087 -6.303 -9.217 1.00 92.57 24 A 1 ATOM 182 O O . LYS A 1 24 ? -2.903 -5.646 -10.248 1.00 91.84 24 A 1 ATOM 183 C CB . LYS A 1 24 ? -5.226 -7.575 -8.681 1.00 91.90 24 A 1 ATOM 184 C CG . LYS A 1 24 ? -6.101 -6.488 -9.325 1.00 89.10 24 A 1 ATOM 185 C CD . LYS A 1 24 ? -7.483 -6.476 -8.660 1.00 85.60 24 A 1 ATOM 186 C CE . LYS A 1 24 ? -8.341 -5.354 -9.246 1.00 78.50 24 A 1 ATOM 187 N NZ . LYS A 1 24 ? -9.671 -5.295 -8.581 1.00 70.85 24 A 1 ATOM 188 N N . HIS A 1 25 ? -2.656 -5.908 -8.015 1.00 93.09 25 A 1 ATOM 189 C CA . HIS A 1 25 ? -2.115 -4.567 -7.768 1.00 92.69 25 A 1 ATOM 190 C C . HIS A 1 25 ? -0.623 -4.445 -8.086 1.00 92.83 25 A 1 ATOM 191 O O . HIS A 1 25 ? -0.238 -3.528 -8.815 1.00 91.67 25 A 1 ATOM 192 C CB . HIS A 1 25 ? -2.464 -4.139 -6.338 1.00 92.92 25 A 1 ATOM 193 C CG . HIS A 1 25 ? -3.941 -3.864 -6.184 1.00 93.06 25 A 1 ATOM 194 N ND1 . HIS A 1 25 ? -4.624 -2.785 -6.706 1.00 84.92 25 A 1 ATOM 195 C CD2 . HIS A 1 25 ? -4.866 -4.648 -5.549 1.00 85.57 25 A 1 ATOM 196 C CE1 . HIS A 1 25 ? -5.922 -2.916 -6.377 1.00 86.57 25 A 1 ATOM 197 N NE2 . HIS A 1 25 ? -6.120 -4.043 -5.684 1.00 88.01 25 A 1 ATOM 198 N N . PHE A 1 26 ? 0.206 -5.390 -7.647 1.00 93.00 26 A 1 ATOM 199 C CA . PHE A 1 26 ? 1.646 -5.390 -7.938 1.00 92.71 26 A 1 ATOM 200 C C . PHE A 1 26 ? 1.999 -6.108 -9.253 1.00 91.96 26 A 1 ATOM 201 O O . PHE A 1 26 ? 3.034 -5.839 -9.855 1.00 88.41 26 A 1 ATOM 202 C CB . PHE A 1 26 ? 2.405 -5.984 -6.750 1.00 93.34 26 A 1 ATOM 203 C CG . PHE A 1 26 ? 2.341 -5.142 -5.488 1.00 94.60 26 A 1 ATOM 204 C CD1 . PHE A 1 26 ? 3.092 -3.952 -5.410 1.00 92.72 26 A 1 ATOM 205 C CD2 . PHE A 1 26 ? 1.567 -5.551 -4.386 1.00 93.25 26 A 1 ATOM 206 C CE1 . PHE A 1 26 ? 3.078 -3.185 -4.234 1.00 92.68 26 A 1 ATOM 207 C CE2 . PHE A 1 26 ? 1.557 -4.780 -3.207 1.00 92.89 26 A 1 ATOM 208 C CZ . PHE A 1 26 ? 2.318 -3.601 -3.128 1.00 94.02 26 A 1 ATOM 209 N N . GLY A 1 27 ? 1.122 -6.986 -9.739 1.00 92.30 27 A 1 ATOM 210 C CA . GLY A 1 27 ? 1.429 -7.930 -10.815 1.00 91.29 27 A 1 ATOM 211 C C . GLY A 1 27 ? 2.123 -9.183 -10.276 1.00 92.25 27 A 1 ATOM 212 O O . GLY A 1 27 ? 2.813 -9.138 -9.260 1.00 91.15 27 A 1 ATOM 213 N N . VAL A 1 28 ? 1.965 -10.309 -10.972 1.00 90.53 28 A 1 ATOM 214 C CA . VAL A 1 28 ? 2.461 -11.627 -10.519 1.00 90.37 28 A 1 ATOM 215 C C . VAL A 1 28 ? 3.956 -11.596 -10.164 1.00 90.38 28 A 1 ATOM 216 O O . VAL A 1 28 ? 4.362 -12.118 -9.134 1.00 88.62 28 A 1 ATOM 217 C CB . VAL A 1 28 ? 2.189 -12.696 -11.595 1.00 89.59 28 A 1 ATOM 218 C CG1 . VAL A 1 28 ? 2.694 -14.082 -11.180 1.00 85.08 28 A 1 ATOM 219 C CG2 . VAL A 1 28 ? 0.686 -12.815 -11.893 1.00 84.61 28 A 1 ATOM 220 N N . ARG A 1 29 ? 4.773 -10.916 -10.981 1.00 90.94 29 A 1 ATOM 221 C CA . ARG A 1 29 ? 6.231 -10.830 -10.788 1.00 90.08 29 A 1 ATOM 222 C C . ARG A 1 29 ? 6.639 -10.066 -9.528 1.00 91.31 29 A 1 ATOM 223 O O . ARG A 1 29 ? 7.651 -10.392 -8.919 1.00 90.01 29 A 1 ATOM 224 C CB . ARG A 1 29 ? 6.861 -10.216 -12.054 1.00 87.79 29 A 1 ATOM 225 C CG . ARG A 1 29 ? 8.398 -10.227 -12.012 1.00 76.45 29 A 1 ATOM 226 C CD . ARG A 1 29 ? 8.988 -9.745 -13.345 1.00 73.72 29 A 1 ATOM 227 N NE . ARG A 1 29 ? 10.468 -9.769 -13.322 1.00 64.35 29 A 1 ATOM 228 C CZ . ARG A 1 29 ? 11.281 -9.607 -14.357 1.00 57.20 29 A 1 ATOM 229 N NH1 . ARG A 1 29 ? 10.839 -9.393 -15.561 1.00 52.29 29 A 1 ATOM 230 N NH2 . ARG A 1 29 ? 12.577 -9.657 -14.200 1.00 48.57 29 A 1 ATOM 231 N N . PHE A 1 30 ? 5.881 -9.046 -9.152 1.00 92.11 30 A 1 ATOM 232 C CA . PHE A 1 30 ? 6.217 -8.143 -8.046 1.00 92.74 30 A 1 ATOM 233 C C . PHE A 1 30 ? 5.364 -8.372 -6.794 1.00 93.84 30 A 1 ATOM 234 O O . PHE A 1 30 ? 5.641 -7.748 -5.781 1.00 93.23 30 A 1 ATOM 235 C CB . PHE A 1 30 ? 6.133 -6.690 -8.525 1.00 92.09 30 A 1 ATOM 236 C CG . PHE A 1 30 ? 7.176 -6.313 -9.562 1.00 90.95 30 A 1 ATOM 237 C CD1 . PHE A 1 30 ? 8.471 -5.940 -9.152 1.00 87.89 30 A 1 ATOM 238 C CD2 . PHE A 1 30 ? 6.852 -6.319 -10.932 1.00 88.56 30 A 1 ATOM 239 C CE1 . PHE A 1 30 ? 9.432 -5.566 -10.109 1.00 87.01 30 A 1 ATOM 240 C CE2 . PHE A 1 30 ? 7.813 -5.949 -11.889 1.00 87.00 30 A 1 ATOM 241 C CZ . PHE A 1 30 ? 9.101 -5.565 -11.478 1.00 87.06 30 A 1 ATOM 242 N N . ALA A 1 31 ? 4.377 -9.272 -6.817 1.00 92.48 31 A 1 ATOM 243 C CA . ALA A 1 31 ? 3.433 -9.511 -5.723 1.00 92.65 31 A 1 ATOM 244 C C . ALA A 1 31 ? 4.134 -9.726 -4.369 1.00 92.87 31 A 1 ATOM 245 O O . ALA A 1 31 ? 3.958 -8.939 -3.441 1.00 92.15 31 A 1 ATOM 246 C CB . ALA A 1 31 ? 2.551 -10.707 -6.108 1.00 91.98 31 A 1 ATOM 247 N N . ARG A 1 32 ? 5.009 -10.732 -4.295 1.00 92.94 32 A 1 ATOM 248 C CA . ARG A 1 32 ? 5.739 -11.058 -3.060 1.00 92.51 32 A 1 ATOM 249 C C . ARG A 1 32 ? 6.721 -9.963 -2.645 1.00 93.54 32 A 1 ATOM 250 O O . ARG A 1 32 ? 6.857 -9.673 -1.461 1.00 93.18 32 A 1 ATOM 251 C CB . ARG A 1 32 ? 6.449 -12.409 -3.247 1.00 91.16 32 A 1 ATOM 252 C CG . ARG A 1 32 ? 7.097 -12.902 -1.944 1.00 81.71 32 A 1 ATOM 253 C CD . ARG A 1 32 ? 7.742 -14.274 -2.155 1.00 75.15 32 A 1 ATOM 254 N NE . ARG A 1 32 ? 8.358 -14.772 -0.909 1.00 65.44 32 A 1 ATOM 255 C CZ . ARG A 1 32 ? 9.027 -15.903 -0.760 1.00 55.94 32 A 1 ATOM 256 N NH1 . ARG A 1 32 ? 9.223 -16.728 -1.748 1.00 50.68 32 A 1 ATOM 257 N NH2 . ARG A 1 32 ? 9.512 -16.231 0.407 1.00 49.25 32 A 1 ATOM 258 N N . ARG A 1 33 ? 7.420 -9.358 -3.611 1.00 93.30 33 A 1 ATOM 259 C CA . ARG A 1 33 ? 8.373 -8.272 -3.341 1.00 94.10 33 A 1 ATOM 260 C C . ARG A 1 33 ? 7.660 -7.021 -2.837 1.00 95.56 33 A 1 ATOM 261 O O . ARG A 1 33 ? 8.119 -6.431 -1.873 1.00 95.09 33 A 1 ATOM 262 C CB . ARG A 1 33 ? 9.213 -7.985 -4.601 1.00 92.81 33 A 1 ATOM 263 C CG . ARG A 1 33 ? 10.246 -6.868 -4.363 1.00 88.08 33 A 1 ATOM 264 C CD . ARG A 1 33 ? 11.115 -6.623 -5.613 1.00 85.06 33 A 1 ATOM 265 N NE . ARG A 1 33 ? 12.077 -5.516 -5.416 1.00 79.84 33 A 1 ATOM 266 C CZ . ARG A 1 33 ? 13.253 -5.558 -4.814 1.00 76.37 33 A 1 ATOM 267 N NH1 . ARG A 1 33 ? 13.723 -6.648 -4.282 1.00 67.86 33 A 1 ATOM 268 N NH2 . ARG A 1 33 ? 13.985 -4.489 -4.734 1.00 66.71 33 A 1 ATOM 269 N N . GLY A 1 34 ? 6.557 -6.642 -3.463 1.00 94.92 34 A 1 ATOM 270 C CA . GLY A 1 34 ? 5.758 -5.480 -3.079 1.00 95.18 34 A 1 ATOM 271 C C . GLY A 1 34 ? 5.226 -5.602 -1.657 1.00 95.76 34 A 1 ATOM 272 O O . GLY A 1 34 ? 5.432 -4.700 -0.854 1.00 95.62 34 A 1 ATOM 273 N N . GLU A 1 35 ? 4.635 -6.744 -1.323 1.00 94.69 35 A 1 ATOM 274 C CA . GLU A 1 35 ? 4.156 -7.013 0.034 1.00 94.39 35 A 1 ATOM 275 C C . GLU A 1 35 ? 5.289 -6.928 1.072 1.00 94.71 35 A 1 ATOM 276 O O . GLU A 1 35 ? 5.156 -6.239 2.084 1.00 94.39 35 A 1 ATOM 277 C CB . GLU A 1 35 ? 3.491 -8.392 0.039 1.00 92.96 35 A 1 ATOM 278 C CG . GLU A 1 35 ? 2.853 -8.719 1.387 1.00 90.36 35 A 1 ATOM 279 C CD . GLU A 1 35 ? 2.224 -10.117 1.420 1.00 89.64 35 A 1 ATOM 280 O OE1 . GLU A 1 35 ? 1.132 -10.245 2.013 1.00 82.63 35 A 1 ATOM 281 O OE2 . GLU A 1 35 ? 2.850 -11.062 0.878 1.00 84.32 35 A 1 ATOM 282 N N . ALA A 1 36 ? 6.431 -7.572 0.802 1.00 95.37 36 A 1 ATOM 283 C CA . ALA A 1 36 ? 7.587 -7.542 1.700 1.00 95.24 36 A 1 ATOM 284 C C . ALA A 1 36 ? 8.149 -6.121 1.895 1.00 95.63 36 A 1 ATOM 285 O O . ALA A 1 36 ? 8.534 -5.758 3.005 1.00 95.27 36 A 1 ATOM 286 C CB . ALA A 1 36 ? 8.656 -8.496 1.150 1.00 94.43 36 A 1 ATOM 287 N N . LEU A 1 37 ? 8.169 -5.302 0.844 1.00 96.21 37 A 1 ATOM 288 C CA . LEU A 1 37 ? 8.601 -3.906 0.923 1.00 96.37 37 A 1 ATOM 289 C C . LEU A 1 37 ? 7.632 -3.056 1.749 1.00 96.39 37 A 1 ATOM 290 O O . LEU A 1 37 ? 8.092 -2.285 2.583 1.00 96.00 37 A 1 ATOM 291 C CB . LEU A 1 37 ? 8.764 -3.321 -0.488 1.00 96.20 37 A 1 ATOM 292 C CG . LEU A 1 37 ? 10.027 -3.776 -1.237 1.00 91.90 37 A 1 ATOM 293 C CD1 . LEU A 1 37 ? 9.972 -3.247 -2.675 1.00 88.59 37 A 1 ATOM 294 C CD2 . LEU A 1 37 ? 11.310 -3.254 -0.590 1.00 88.91 37 A 1 ATOM 295 N N . VAL A 1 38 ? 6.311 -3.217 1.565 1.00 95.79 38 A 1 ATOM 296 C CA . VAL A 1 38 ? 5.328 -2.506 2.406 1.00 95.85 38 A 1 ATOM 297 C C . VAL A 1 38 ? 5.537 -2.869 3.870 1.00 95.47 38 A 1 ATOM 298 O O . VAL A 1 38 ? 5.619 -1.980 4.711 1.00 94.97 38 A 1 ATOM 299 C CB . VAL A 1 38 ? 3.872 -2.786 1.995 1.00 95.93 38 A 1 ATOM 300 C CG1 . VAL A 1 38 ? 2.887 -2.080 2.942 1.00 94.66 38 A 1 ATOM 301 C CG2 . VAL A 1 38 ? 3.553 -2.283 0.589 1.00 94.54 38 A 1 ATOM 302 N N . PHE A 1 39 ? 5.699 -4.147 4.179 1.00 94.96 39 A 1 ATOM 303 C CA . PHE A 1 39 ? 5.934 -4.586 5.550 1.00 94.08 39 A 1 ATOM 304 C C . PHE A 1 39 ? 7.236 -4.023 6.135 1.00 93.98 39 A 1 ATOM 305 O O . PHE A 1 39 ? 7.249 -3.542 7.266 1.00 93.57 39 A 1 ATOM 306 C CB . PHE A 1 39 ? 5.924 -6.112 5.592 1.00 92.76 39 A 1 ATOM 307 C CG . PHE A 1 39 ? 5.988 -6.659 7.003 1.00 89.77 39 A 1 ATOM 308 C CD1 . PHE A 1 39 ? 7.157 -7.277 7.478 1.00 86.18 39 A 1 ATOM 309 C CD2 . PHE A 1 39 ? 4.869 -6.530 7.849 1.00 86.26 39 A 1 ATOM 310 C CE1 . PHE A 1 39 ? 7.205 -7.773 8.796 1.00 83.09 39 A 1 ATOM 311 C CE2 . PHE A 1 39 ? 4.922 -7.023 9.164 1.00 82.71 39 A 1 ATOM 312 C CZ . PHE A 1 39 ? 6.090 -7.647 9.636 1.00 82.48 39 A 1 ATOM 313 N N . ALA A 1 40 ? 8.320 -4.003 5.368 1.00 95.25 40 A 1 ATOM 314 C CA . ALA A 1 40 ? 9.584 -3.405 5.797 1.00 95.01 40 A 1 ATOM 315 C C . ALA A 1 40 ? 9.444 -1.899 6.092 1.00 94.85 40 A 1 ATOM 316 O O . ALA A 1 40 ? 9.972 -1.410 7.090 1.00 94.45 40 A 1 ATOM 317 C CB . ALA A 1 40 ? 10.640 -3.675 4.717 1.00 95.07 40 A 1 ATOM 318 N N . TRP A 1 41 ? 8.695 -1.167 5.252 1.00 95.18 41 A 1 ATOM 319 C CA . TRP A 1 41 ? 8.389 0.240 5.501 1.00 95.05 41 A 1 ATOM 320 C C . TRP A 1 41 ? 7.509 0.429 6.735 1.00 94.50 41 A 1 ATOM 321 O O . TRP A 1 41 ? 7.804 1.311 7.539 1.00 93.63 41 A 1 ATOM 322 C CB . TRP A 1 41 ? 7.758 0.872 4.258 1.00 95.47 41 A 1 ATOM 323 C CG . TRP A 1 41 ? 8.745 1.253 3.195 1.00 95.42 41 A 1 ATOM 324 C CD1 . TRP A 1 41 ? 8.815 0.741 1.945 1.00 94.09 41 A 1 ATOM 325 C CD2 . TRP A 1 41 ? 9.822 2.235 3.285 1.00 95.11 41 A 1 ATOM 326 N NE1 . TRP A 1 41 ? 9.855 1.336 1.253 1.00 93.59 41 A 1 ATOM 327 C CE2 . TRP A 1 41 ? 10.510 2.260 2.037 1.00 94.47 41 A 1 ATOM 328 C CE3 . TRP A 1 41 ? 10.286 3.103 4.298 1.00 94.30 41 A 1 ATOM 329 C CZ2 . TRP A 1 41 ? 11.609 3.107 1.804 1.00 93.81 41 A 1 ATOM 330 C CZ3 . TRP A 1 41 ? 11.392 3.954 4.075 1.00 93.40 41 A 1 ATOM 331 C CH2 . TRP A 1 41 ? 12.050 3.956 2.832 1.00 93.01 41 A 1 ATOM 332 N N . LEU A 1 42 ? 6.508 -0.421 6.955 1.00 94.17 42 A 1 ATOM 333 C CA . LEU A 1 42 ? 5.671 -0.393 8.158 1.00 93.32 42 A 1 ATOM 334 C C . LEU A 1 42 ? 6.505 -0.545 9.433 1.00 92.31 42 A 1 ATOM 335 O O . LEU A 1 42 ? 6.369 0.271 10.341 1.00 91.25 42 A 1 ATOM 336 C CB . LEU A 1 42 ? 4.607 -1.501 8.092 1.00 93.36 42 A 1 ATOM 337 C CG . LEU A 1 42 ? 3.442 -1.227 7.132 1.00 92.41 42 A 1 ATOM 338 C CD1 . LEU A 1 42 ? 2.576 -2.482 7.002 1.00 91.26 42 A 1 ATOM 339 C CD2 . LEU A 1 42 ? 2.556 -0.091 7.640 1.00 91.67 42 A 1 ATOM 340 N N . LEU A 1 43 ? 7.406 -1.522 9.486 1.00 92.64 43 A 1 ATOM 341 C CA . LEU A 1 43 ? 8.295 -1.723 10.637 1.00 91.52 43 A 1 ATOM 342 C C . LEU A 1 43 ? 9.183 -0.503 10.895 1.00 90.52 43 A 1 ATOM 343 O O . LEU A 1 43 ? 9.386 -0.106 12.040 1.00 89.05 43 A 1 ATOM 344 C CB . LEU A 1 43 ? 9.178 -2.961 10.400 1.00 91.21 43 A 1 ATOM 345 C CG . LEU A 1 43 ? 8.441 -4.309 10.440 1.00 89.33 43 A 1 ATOM 346 C CD1 . LEU A 1 43 ? 9.440 -5.420 10.105 1.00 86.99 43 A 1 ATOM 347 C CD2 . LEU A 1 43 ? 7.838 -4.603 11.813 1.00 86.95 43 A 1 ATOM 348 N N . ARG A 1 44 ? 9.690 0.120 9.826 1.00 92.30 44 A 1 ATOM 349 C CA . ARG A 1 44 ? 10.549 1.304 9.930 1.00 91.64 44 A 1 ATOM 350 C C . ARG A 1 44 ? 9.793 2.541 10.417 1.00 90.86 44 A 1 ATOM 351 O O . ARG A 1 44 ? 10.342 3.308 11.202 1.00 88.61 44 A 1 ATOM 352 C CB . ARG A 1 44 ? 11.222 1.540 8.573 1.00 91.64 44 A 1 ATOM 353 C CG . ARG A 1 44 ? 12.226 2.692 8.635 1.00 82.84 44 A 1 ATOM 354 C CD . ARG A 1 44 ? 12.956 2.826 7.301 1.00 81.02 44 A 1 ATOM 355 N NE . ARG A 1 44 ? 13.932 3.931 7.345 1.00 72.51 44 A 1 ATOM 356 C CZ . ARG A 1 44 ? 14.848 4.203 6.434 1.00 66.82 44 A 1 ATOM 357 N NH1 . ARG A 1 44 ? 14.978 3.487 5.355 1.00 60.95 44 A 1 ATOM 358 N NH2 . ARG A 1 44 ? 15.661 5.210 6.595 1.00 56.54 44 A 1 ATOM 359 N N . LEU A 1 45 ? 8.572 2.750 9.939 1.00 90.16 45 A 1 ATOM 360 C CA . LEU A 1 45 ? 7.755 3.928 10.252 1.00 89.07 45 A 1 ATOM 361 C C . LEU A 1 45 ? 7.122 3.835 11.639 1.00 87.19 45 A 1 ATOM 362 O O . LEU A 1 45 ? 7.164 4.799 12.393 1.00 84.32 45 A 1 ATOM 363 C CB . LEU A 1 45 ? 6.665 4.072 9.178 1.00 90.05 45 A 1 ATOM 364 C CG . LEU A 1 45 ? 7.189 4.498 7.799 1.00 90.26 45 A 1 ATOM 365 C CD1 . LEU A 1 45 ? 6.097 4.258 6.760 1.00 88.83 45 A 1 ATOM 366 C CD2 . LEU A 1 45 ? 7.592 5.971 7.762 1.00 89.29 45 A 1 ATOM 367 N N . ALA A 1 46 ? 6.558 2.672 11.978 1.00 88.99 46 A 1 ATOM 368 C CA . ALA A 1 46 ? 5.866 2.491 13.249 1.00 85.83 46 A 1 ATOM 369 C C . ALA A 1 46 ? 6.830 2.431 14.441 1.00 83.78 46 A 1 ATOM 370 O O . ALA A 1 46 ? 6.446 2.796 15.545 1.00 78.40 46 A 1 ATOM 371 C CB . ALA A 1 46 ? 5.005 1.230 13.151 1.00 84.23 46 A 1 ATOM 372 N N . LYS A 1 47 ? 8.080 2.010 14.231 1.00 83.66 47 A 1 ATOM 373 C CA . LYS A 1 47 ? 9.096 1.820 15.291 1.00 81.52 47 A 1 ATOM 374 C C . LYS A 1 47 ? 8.651 0.890 16.428 1.00 81.43 47 A 1 ATOM 375 O O . LYS A 1 47 ? 9.276 0.865 17.482 1.00 77.68 47 A 1 ATOM 376 C CB . LYS A 1 47 ? 9.597 3.171 15.825 1.00 79.54 47 A 1 ATOM 377 C CG . LYS A 1 47 ? 10.174 4.091 14.743 1.00 77.06 47 A 1 ATOM 378 C CD . LYS A 1 47 ? 10.558 5.428 15.380 1.00 72.94 47 A 1 ATOM 379 C CE . LYS A 1 47 ? 11.055 6.405 14.316 1.00 70.24 47 A 1 ATOM 380 N NZ . LYS A 1 47 ? 11.214 7.772 14.879 1.00 62.21 47 A 1 ATOM 381 N N . VAL A 1 48 ? 7.593 0.126 16.201 1.00 80.88 48 A 1 ATOM 382 C CA . VAL A 1 48 ? 7.030 -0.862 17.127 1.00 80.10 48 A 1 ATOM 383 C C . VAL A 1 48 ? 6.901 -2.212 16.418 1.00 81.66 48 A 1 ATOM 384 O O . VAL A 1 48 ? 6.797 -2.253 15.190 1.00 80.03 48 A 1 ATOM 385 C CB . VAL A 1 48 ? 5.672 -0.416 17.700 1.00 76.82 48 A 1 ATOM 386 C CG1 . VAL A 1 48 ? 5.832 0.839 18.561 1.00 70.65 48 A 1 ATOM 387 C CG2 . VAL A 1 48 ? 4.606 -0.161 16.635 1.00 72.84 48 A 1 ATOM 388 N N . PRO A 1 49 ? 6.902 -3.336 17.151 1.00 82.18 49 A 1 ATOM 389 C CA . PRO A 1 49 ? 6.677 -4.647 16.557 1.00 81.82 49 A 1 ATOM 390 C C . PRO A 1 49 ? 5.298 -4.718 15.895 1.00 82.61 49 A 1 ATOM 391 O O . PRO A 1 49 ? 4.276 -4.508 16.540 1.00 80.44 49 A 1 ATOM 392 C CB . PRO A 1 49 ? 6.827 -5.660 17.697 1.00 78.98 49 A 1 ATOM 393 C CG . PRO A 1 49 ? 7.664 -4.919 18.737 1.00 77.07 49 A 1 ATOM 394 C CD . PRO A 1 49 ? 7.209 -3.469 18.567 1.00 81.18 49 A 1 ATOM 395 N N . ILE A 1 50 ? 5.267 -5.050 14.608 1.00 80.73 50 A 1 ATOM 396 C CA . ILE A 1 50 ? 4.043 -5.353 13.860 1.00 82.31 50 A 1 ATOM 397 C C . ILE A 1 50 ? 4.089 -6.827 13.474 1.00 82.72 50 A 1 ATOM 398 O O . ILE A 1 50 ? 5.055 -7.300 12.874 1.00 81.61 50 A 1 ATOM 399 C CB . ILE A 1 50 ? 3.872 -4.433 12.629 1.00 81.87 50 A 1 ATOM 400 C CG1 . ILE A 1 50 ? 3.765 -2.954 13.068 1.00 78.70 50 A 1 ATOM 401 C CG2 . ILE A 1 50 ? 2.622 -4.837 11.819 1.00 78.51 50 A 1 ATOM 402 C CD1 . ILE A 1 50 ? 3.765 -1.965 11.899 1.00 75.22 50 A 1 ATOM 403 N N . GLU A 1 51 ? 3.021 -7.561 13.799 1.00 81.18 51 A 1 ATOM 404 C CA . GLU A 1 51 ? 2.862 -8.942 13.350 1.00 81.21 51 A 1 ATOM 405 C C . GLU A 1 51 ? 2.365 -8.969 11.904 1.00 80.34 51 A 1 ATOM 406 O O . GLU A 1 51 ? 1.330 -8.387 11.578 1.00 78.09 51 A 1 ATOM 407 C CB . GLU A 1 51 ? 1.879 -9.686 14.258 1.00 79.16 51 A 1 ATOM 408 C CG . GLU A 1 51 ? 2.416 -9.957 15.675 1.00 72.39 51 A 1 ATOM 409 C CD . GLU A 1 51 ? 1.321 -10.518 16.602 1.00 69.14 51 A 1 ATOM 410 O OE1 . GLU A 1 51 ? 1.416 -10.312 17.823 1.00 61.81 51 A 1 ATOM 411 O OE2 . GLU A 1 51 ? 0.300 -11.043 16.098 1.00 62.00 51 A 1 ATOM 412 N N . TRP A 1 52 ? 3.048 -9.721 11.038 1.00 80.42 52 A 1 ATOM 413 C CA . TRP A 1 52 ? 2.651 -9.905 9.638 1.00 77.84 52 A 1 ATOM 414 C C . TRP A 1 52 ? 1.210 -10.417 9.488 1.00 78.62 52 A 1 ATOM 415 O O . TRP A 1 52 ? 0.478 -10.003 8.594 1.00 74.55 52 A 1 ATOM 416 C CB . TRP A 1 52 ? 3.622 -10.893 8.985 1.00 73.71 52 A 1 ATOM 417 C CG . TRP A 1 52 ? 3.418 -11.073 7.516 1.00 66.57 52 A 1 ATOM 418 C CD1 . TRP A 1 52 ? 2.424 -11.768 6.925 1.00 60.95 52 A 1 ATOM 419 C CD2 . TRP A 1 52 ? 4.207 -10.509 6.432 1.00 63.45 52 A 1 ATOM 420 N NE1 . TRP A 1 52 ? 2.532 -11.658 5.552 1.00 52.67 52 A 1 ATOM 421 C CE2 . TRP A 1 52 ? 3.616 -10.894 5.196 1.00 57.17 52 A 1 ATOM 422 C CE3 . TRP A 1 52 ? 5.364 -9.712 6.377 1.00 52.18 52 A 1 ATOM 423 C CZ2 . TRP A 1 52 ? 4.141 -10.493 3.958 1.00 53.78 52 A 1 ATOM 424 C CZ3 . TRP A 1 52 ? 5.905 -9.316 5.148 1.00 53.54 52 A 1 ATOM 425 C CH2 . TRP A 1 52 ? 5.299 -9.697 3.939 1.00 52.08 52 A 1 ATOM 426 N N . THR A 1 53 ? 0.778 -11.294 10.390 1.00 76.19 53 A 1 ATOM 427 C CA . THR A 1 53 ? -0.567 -11.894 10.411 1.00 74.14 53 A 1 ATOM 428 C C . THR A 1 53 ? -1.683 -10.873 10.648 1.00 76.45 53 A 1 ATOM 429 O O . THR A 1 53 ? -2.834 -11.144 10.322 1.00 72.83 53 A 1 ATOM 430 C CB . THR A 1 53 ? -0.640 -12.965 11.505 1.00 69.29 53 A 1 ATOM 431 O OG1 . THR A 1 53 ? -0.199 -12.417 12.729 1.00 64.96 53 A 1 ATOM 432 C CG2 . THR A 1 53 ? 0.260 -14.160 11.195 1.00 63.89 53 A 1 ATOM 433 N N . ARG A 1 54 ? -1.358 -9.692 11.172 1.00 81.38 54 A 1 ATOM 434 C CA . ARG A 1 54 ? -2.305 -8.594 11.419 1.00 80.90 54 A 1 ATOM 435 C C . ARG A 1 54 ? -2.376 -7.585 10.278 1.00 84.42 54 A 1 ATOM 436 O O . ARG A 1 54 ? -3.025 -6.550 10.426 1.00 82.33 54 A 1 ATOM 437 C CB . ARG A 1 54 ? -1.989 -7.908 12.748 1.00 76.11 54 A 1 ATOM 438 C CG . ARG A 1 54 ? -2.069 -8.879 13.928 1.00 70.74 54 A 1 ATOM 439 C CD . ARG A 1 54 ? -1.997 -8.093 15.239 1.00 65.44 54 A 1 ATOM 440 N NE . ARG A 1 54 ? -1.825 -8.988 16.386 1.00 59.90 54 A 1 ATOM 441 C CZ . ARG A 1 54 ? -2.098 -8.747 17.645 1.00 51.65 54 A 1 ATOM 442 N NH1 . ARG A 1 54 ? -2.679 -7.640 18.041 1.00 48.61 54 A 1 ATOM 443 N NH2 . ARG A 1 54 ? -1.769 -9.636 18.535 1.00 45.29 54 A 1 ATOM 444 N N . LEU A 1 55 ? -1.725 -7.858 9.156 1.00 85.70 55 A 1 ATOM 445 C CA . LEU A 1 55 ? -1.787 -6.993 7.987 1.00 86.95 55 A 1 ATOM 446 C C . LEU A 1 55 ? -3.161 -7.112 7.308 1.00 87.77 55 A 1 ATOM 447 O O . LEU A 1 55 ? -3.628 -8.210 6.990 1.00 86.37 55 A 1 ATOM 448 C CB . LEU A 1 55 ? -0.626 -7.331 7.038 1.00 85.97 55 A 1 ATOM 449 C CG . LEU A 1 55 ? -0.165 -6.127 6.208 1.00 82.34 55 A 1 ATOM 450 C CD1 . LEU A 1 55 ? 0.612 -5.133 7.063 1.00 79.05 55 A 1 ATOM 451 C CD2 . LEU A 1 55 ? 0.762 -6.585 5.087 1.00 79.02 55 A 1 ATOM 452 N N . GLN A 1 56 ? -3.805 -5.974 7.073 1.00 91.71 56 A 1 ATOM 453 C CA . GLN A 1 56 ? -5.032 -5.834 6.301 1.00 92.17 56 A 1 ATOM 454 C C . GLN A 1 56 ? -4.743 -5.219 4.935 1.00 93.61 56 A 1 ATOM 455 O O . GLN A 1 56 ? -3.828 -4.415 4.765 1.00 93.54 56 A 1 ATOM 456 C CB . GLN A 1 56 ? -6.072 -5.016 7.069 1.00 90.09 56 A 1 ATOM 457 C CG . GLN A 1 56 ? -6.653 -5.815 8.241 1.00 79.00 56 A 1 ATOM 458 C CD . GLN A 1 56 ? -7.897 -5.167 8.840 1.00 73.98 56 A 1 ATOM 459 O OE1 . GLN A 1 56 ? -8.153 -3.990 8.741 1.00 66.88 56 A 1 ATOM 460 N NE2 . GLN A 1 56 ? -8.747 -5.922 9.499 1.00 61.90 56 A 1 ATOM 461 N N . TYR A 1 57 ? -5.561 -5.615 3.965 1.00 93.46 57 A 1 ATOM 462 C CA . TYR A 1 57 ? -5.434 -5.219 2.573 1.00 93.71 57 A 1 ATOM 463 C C . TYR A 1 57 ? -6.680 -4.424 2.204 1.00 93.98 57 A 1 ATOM 464 O O . TYR A 1 57 ? -7.798 -4.903 2.401 1.00 92.73 57 A 1 ATOM 465 C CB . TYR A 1 57 ? -5.278 -6.461 1.686 1.00 92.55 57 A 1 ATOM 466 C CG . TYR A 1 57 ? -4.060 -7.325 1.979 1.00 91.32 57 A 1 ATOM 467 C CD1 . TYR A 1 57 ? -2.995 -7.397 1.061 1.00 86.16 57 A 1 ATOM 468 C CD2 . TYR A 1 57 ? -3.995 -8.061 3.176 1.00 86.04 57 A 1 ATOM 469 C CE1 . TYR A 1 57 ? -1.861 -8.182 1.352 1.00 82.76 57 A 1 ATOM 470 C CE2 . TYR A 1 57 ? -2.858 -8.831 3.479 1.00 82.65 57 A 1 ATOM 471 C CZ . TYR A 1 57 ? -1.788 -8.891 2.567 1.00 82.70 57 A 1 ATOM 472 O OH . TYR A 1 57 ? -0.691 -9.618 2.885 1.00 81.15 57 A 1 ATOM 473 N N . TYR A 1 58 ? -6.496 -3.234 1.669 1.00 94.19 58 A 1 ATOM 474 C CA . TYR A 1 58 ? -7.577 -2.319 1.330 1.00 94.50 58 A 1 ATOM 475 C C . TYR A 1 58 ? -7.573 -2.013 -0.160 1.00 94.95 58 A 1 ATOM 476 O O . TYR A 1 58 ? -6.540 -1.669 -0.736 1.00 94.28 58 A 1 ATOM 477 C CB . TYR A 1 58 ? -7.457 -1.041 2.161 1.00 94.19 58 A 1 ATOM 478 C CG . TYR A 1 58 ? -7.609 -1.260 3.655 1.00 93.90 58 A 1 ATOM 479 C CD1 . TYR A 1 58 ? -8.878 -1.178 4.259 1.00 91.67 58 A 1 ATOM 480 C CD2 . TYR A 1 58 ? -6.477 -1.544 4.444 1.00 92.19 58 A 1 ATOM 481 C CE1 . TYR A 1 58 ? -9.016 -1.360 5.649 1.00 91.11 58 A 1 ATOM 482 C CE2 . TYR A 1 58 ? -6.613 -1.732 5.836 1.00 91.49 58 A 1 ATOM 483 C CZ . TYR A 1 58 ? -7.883 -1.631 6.440 1.00 91.58 58 A 1 ATOM 484 O OH . TYR A 1 58 ? -8.009 -1.788 7.785 1.00 89.81 58 A 1 ATOM 485 N N . THR A 1 59 ? -8.739 -2.119 -0.784 1.00 94.86 59 A 1 ATOM 486 C CA . THR A 1 59 ? -8.980 -1.620 -2.140 1.00 94.52 59 A 1 ATOM 487 C C . THR A 1 59 ? -9.644 -0.254 -2.071 1.00 94.80 59 A 1 ATOM 488 O O . THR A 1 59 ? -10.501 -0.026 -1.219 1.00 94.05 59 A 1 ATOM 489 C CB . THR A 1 59 ? -9.853 -2.571 -2.969 1.00 93.14 59 A 1 ATOM 490 O OG1 . THR A 1 59 ? -11.045 -2.902 -2.299 1.00 83.15 59 A 1 ATOM 491 C CG2 . THR A 1 59 ? -9.132 -3.874 -3.282 1.00 82.09 59 A 1 ATOM 492 N N . LEU A 1 60 ? -9.298 0.635 -2.992 1.00 93.81 60 A 1 ATOM 493 C CA . LEU A 1 60 ? -9.904 1.953 -3.126 1.00 94.17 60 A 1 ATOM 494 C C . LEU A 1 60 ? -10.878 1.984 -4.310 1.00 93.86 60 A 1 ATOM 495 O O . LEU A 1 60 ? -10.652 1.343 -5.337 1.00 93.33 60 A 1 ATOM 496 C CB . LEU A 1 60 ? -8.808 3.023 -3.255 1.00 94.98 60 A 1 ATOM 497 C CG . LEU A 1 60 ? -7.797 3.076 -2.095 1.00 94.79 60 A 1 ATOM 498 C CD1 . LEU A 1 60 ? -6.744 4.148 -2.379 1.00 92.66 60 A 1 ATOM 499 C CD2 . LEU A 1 60 ? -8.471 3.408 -0.765 1.00 92.94 60 A 1 ATOM 500 N N . SER A 1 61 ? -11.944 2.770 -4.196 1.00 94.62 61 A 1 ATOM 501 C CA . SER A 1 61 ? -12.944 2.926 -5.263 1.00 94.23 61 A 1 ATOM 502 C C . SER A 1 61 ? -12.384 3.536 -6.560 1.00 94.02 61 A 1 ATOM 503 O O . SER A 1 61 ? -12.969 3.358 -7.622 1.00 92.49 61 A 1 ATOM 504 C CB . SER A 1 61 ? -14.123 3.768 -4.761 1.00 94.17 61 A 1 ATOM 505 O OG . SER A 1 61 ? -13.699 5.066 -4.389 1.00 92.44 61 A 1 ATOM 506 N N . ASN A 1 62 ? -11.232 4.210 -6.495 1.00 93.54 62 A 1 ATOM 507 C CA . ASN A 1 62 ? -10.499 4.728 -7.655 1.00 93.39 62 A 1 ATOM 508 C C . ASN A 1 62 ? -9.471 3.729 -8.231 1.00 94.14 62 A 1 ATOM 509 O O . ASN A 1 62 ? -8.560 4.133 -8.946 1.00 92.68 62 A 1 ATOM 510 C CB . ASN A 1 62 ? -9.861 6.083 -7.289 1.00 93.16 62 A 1 ATOM 511 C CG . ASN A 1 62 ? -8.677 5.959 -6.344 1.00 94.72 62 A 1 ATOM 512 O OD1 . ASN A 1 62 ? -8.455 4.934 -5.716 1.00 91.88 62 A 1 ATOM 513 N ND2 . ASN A 1 62 ? -7.890 6.999 -6.203 1.00 91.85 62 A 1 ATOM 514 N N . SER A 1 63 ? -9.590 2.436 -7.920 1.00 93.43 63 A 1 ATOM 515 C CA . SER A 1 63 ? -8.662 1.360 -8.315 1.00 93.45 63 A 1 ATOM 516 C C . SER A 1 63 ? -7.281 1.396 -7.647 1.00 94.30 63 A 1 ATOM 517 O O . SER A 1 63 ? -6.413 0.591 -7.996 1.00 92.27 63 A 1 ATOM 518 C CB . SER A 1 63 ? -8.526 1.251 -9.839 1.00 92.31 63 A 1 ATOM 519 O OG . SER A 1 63 ? -9.799 1.194 -10.453 1.00 86.10 63 A 1 ATOM 520 N N . GLY A 1 64 ? -7.069 2.280 -6.666 1.00 94.16 64 A 1 ATOM 521 C CA . GLY A 1 64 ? -5.905 2.241 -5.792 1.00 94.20 64 A 1 ATOM 522 C C . GLY A 1 64 ? -6.008 1.142 -4.730 1.00 95.00 64 A 1 ATOM 523 O O . GLY A 1 64 ? -6.994 0.404 -4.644 1.00 94.36 64 A 1 ATOM 524 N N . PHE A 1 65 ? -4.978 1.040 -3.913 1.00 94.59 65 A 1 ATOM 525 C CA . PHE A 1 65 ? -4.918 0.097 -2.800 1.00 95.51 65 A 1 ATOM 526 C C . PHE A 1 65 ? -3.900 0.551 -1.757 1.00 96.26 65 A 1 ATOM 527 O O . PHE A 1 65 ? -3.026 1.363 -2.048 1.00 96.35 65 A 1 ATOM 528 C CB . PHE A 1 65 ? -4.544 -1.297 -3.314 1.00 95.36 65 A 1 ATOM 529 C CG . PHE A 1 65 ? -3.085 -1.465 -3.697 1.00 95.66 65 A 1 ATOM 530 C CD1 . PHE A 1 65 ? -2.597 -0.949 -4.913 1.00 94.65 65 A 1 ATOM 531 C CD2 . PHE A 1 65 ? -2.200 -2.113 -2.815 1.00 94.92 65 A 1 ATOM 532 C CE1 . PHE A 1 65 ? -1.239 -1.081 -5.245 1.00 93.90 65 A 1 ATOM 533 C CE2 . PHE A 1 65 ? -0.842 -2.250 -3.151 1.00 93.86 65 A 1 ATOM 534 C CZ . PHE A 1 65 ? -0.361 -1.733 -4.364 1.00 94.11 65 A 1 ATOM 535 N N . TYR A 1 66 ? -3.973 -0.024 -0.565 1.00 96.03 66 A 1 ATOM 536 C CA . TYR A 1 66 ? -2.912 0.041 0.436 1.00 96.28 66 A 1 ATOM 537 C C . TYR A 1 66 ? -2.972 -1.156 1.387 1.00 96.08 66 A 1 ATOM 538 O O . TYR A 1 66 ? -3.963 -1.888 1.439 1.00 95.60 66 A 1 ATOM 539 C CB . TYR A 1 66 ? -2.948 1.379 1.193 1.00 96.33 66 A 1 ATOM 540 C CG . TYR A 1 66 ? -4.139 1.582 2.110 1.00 96.53 66 A 1 ATOM 541 C CD1 . TYR A 1 66 ? -5.388 1.956 1.579 1.00 95.36 66 A 1 ATOM 542 C CD2 . TYR A 1 66 ? -3.991 1.420 3.503 1.00 95.50 66 A 1 ATOM 543 C CE1 . TYR A 1 66 ? -6.489 2.159 2.432 1.00 94.78 66 A 1 ATOM 544 C CE2 . TYR A 1 66 ? -5.090 1.624 4.360 1.00 94.74 66 A 1 ATOM 545 C CZ . TYR A 1 66 ? -6.343 1.991 3.825 1.00 95.22 66 A 1 ATOM 546 O OH . TYR A 1 66 ? -7.413 2.180 4.648 1.00 94.11 66 A 1 ATOM 547 N N . LEU A 1 67 ? -1.879 -1.364 2.116 1.00 95.65 67 A 1 ATOM 548 C CA . LEU A 1 67 ? -1.766 -2.361 3.177 1.00 95.56 67 A 1 ATOM 549 C C . LEU A 1 67 ? -1.514 -1.617 4.487 1.00 95.51 67 A 1 ATOM 550 O O . LEU A 1 67 ? -0.660 -0.739 4.531 1.00 94.97 67 A 1 ATOM 551 C CB . LEU A 1 67 ? -0.620 -3.340 2.888 1.00 95.04 67 A 1 ATOM 552 C CG . LEU A 1 67 ? -0.869 -4.382 1.780 1.00 93.29 67 A 1 ATOM 553 C CD1 . LEU A 1 67 ? -0.954 -3.794 0.374 1.00 88.25 67 A 1 ATOM 554 C CD2 . LEU A 1 67 ? 0.287 -5.386 1.763 1.00 87.07 67 A 1 ATOM 555 N N . ALA A 1 68 ? -2.217 -1.992 5.547 1.00 94.63 68 A 1 ATOM 556 C CA . ALA A 1 68 ? -2.067 -1.377 6.863 1.00 94.08 68 A 1 ATOM 557 C C . ALA A 1 68 ? -2.157 -2.434 7.972 1.00 93.18 68 A 1 ATOM 558 O O . ALA A 1 68 ? -2.807 -3.465 7.781 1.00 92.22 68 A 1 ATOM 559 C CB . ALA A 1 68 ? -3.139 -0.293 7.027 1.00 93.80 68 A 1 ATOM 560 N N . PRO A 1 69 ? -1.524 -2.224 9.130 1.00 92.94 69 A 1 ATOM 561 C CA . PRO A 1 69 ? -1.768 -3.077 10.281 1.00 91.78 69 A 1 ATOM 562 C C . PRO A 1 69 ? -3.230 -2.933 10.727 1.00 90.97 69 A 1 ATOM 563 O O . PRO A 1 69 ? -3.804 -1.852 10.661 1.00 88.97 69 A 1 ATOM 564 C CB . PRO A 1 69 ? -0.768 -2.621 11.345 1.00 90.33 69 A 1 ATOM 565 C CG . PRO A 1 69 ? -0.519 -1.154 11.001 1.00 88.64 69 A 1 ATOM 566 C CD . PRO A 1 69 ? -0.676 -1.096 9.487 1.00 91.46 69 A 1 ATOM 567 N N . ARG A 1 70 ? -3.838 -4.034 11.179 1.00 89.24 70 A 1 ATOM 568 C CA . ARG A 1 70 ? -5.237 -4.037 11.643 1.00 86.63 70 A 1 ATOM 569 C C . ARG A 1 70 ? -5.468 -3.065 12.795 1.00 85.43 70 A 1 ATOM 570 O O . ARG A 1 70 ? -6.495 -2.397 12.843 1.00 80.41 70 A 1 ATOM 571 C CB . ARG A 1 70 ? -5.626 -5.464 12.049 1.00 83.92 70 A 1 ATOM 572 C CG . ARG A 1 70 ? -7.091 -5.549 12.477 1.00 74.55 70 A 1 ATOM 573 C CD . ARG A 1 70 ? -7.500 -6.996 12.718 1.00 72.28 70 A 1 ATOM 574 N NE . ARG A 1 70 ? -8.926 -7.074 13.085 1.00 64.77 70 A 1 ATOM 575 C CZ . ARG A 1 70 ? -9.639 -8.180 13.196 1.00 56.84 70 A 1 ATOM 576 N NH1 . ARG A 1 70 ? -9.119 -9.358 12.986 1.00 53.90 70 A 1 ATOM 577 N NH2 . ARG A 1 70 ? -10.902 -8.118 13.527 1.00 49.50 70 A 1 ATOM 578 N N . GLU A 1 71 ? -4.521 -3.031 13.701 1.00 81.55 71 A 1 ATOM 579 C CA . GLU A 1 71 ? -4.533 -2.184 14.887 1.00 80.55 71 A 1 ATOM 580 C C . GLU A 1 71 ? -3.099 -1.735 15.153 1.00 79.56 71 A 1 ATOM 581 O O . GLU A 1 71 ? -2.155 -2.518 15.014 1.00 75.83 71 A 1 ATOM 582 C CB . GLU A 1 71 ? -5.090 -2.958 16.095 1.00 76.07 71 A 1 ATOM 583 C CG . GLU A 1 71 ? -6.601 -3.235 15.982 1.00 67.30 71 A 1 ATOM 584 C CD . GLU A 1 71 ? -7.135 -4.194 17.059 1.00 65.95 71 A 1 ATOM 585 O OE1 . GLU A 1 71 ? -8.199 -4.810 16.797 1.00 58.98 71 A 1 ATOM 586 O OE2 . GLU A 1 71 ? -6.454 -4.378 18.087 1.00 59.01 71 A 1 ATOM 587 N N . LEU A 1 72 ? -2.948 -0.471 15.542 1.00 78.33 72 A 1 ATOM 588 C CA . LEU A 1 72 ? -1.680 0.083 15.991 1.00 77.40 72 A 1 ATOM 589 C C . LEU A 1 72 ? -1.946 0.906 17.249 1.00 75.91 72 A 1 ATOM 590 O O . LEU A 1 72 ? -2.891 1.694 17.297 1.00 71.34 72 A 1 ATOM 591 C CB . LEU A 1 72 ? -1.066 0.917 14.853 1.00 75.17 72 A 1 ATOM 592 C CG . LEU A 1 72 ? 0.402 1.310 15.084 1.00 71.50 72 A 1 ATOM 593 C CD1 . LEU A 1 72 ? 1.334 0.101 15.031 1.00 67.84 72 A 1 ATOM 594 C CD2 . LEU A 1 72 ? 0.829 2.278 13.984 1.00 70.70 72 A 1 ATOM 595 N N . ARG A 1 73 ? -1.134 0.715 18.280 1.00 73.82 73 A 1 ATOM 596 C CA . ARG A 1 73 ? -1.293 1.477 19.522 1.00 69.67 73 A 1 ATOM 597 C C . ARG A 1 73 ? -0.798 2.899 19.281 1.00 67.24 73 A 1 ATOM 598 O O . ARG A 1 73 ? 0.399 3.137 19.187 1.00 63.21 73 A 1 ATOM 599 C CB . ARG A 1 73 ? -0.573 0.785 20.687 1.00 65.50 73 A 1 ATOM 600 C CG . ARG A 1 73 ? -1.172 -0.598 20.981 1.00 59.68 73 A 1 ATOM 601 C CD . ARG A 1 73 ? -0.453 -1.285 22.149 1.00 56.42 73 A 1 ATOM 602 N NE . ARG A 1 73 ? -0.994 -0.900 23.465 1.00 51.22 73 A 1 ATOM 603 C CZ . ARG A 1 73 ? -0.394 -1.093 24.626 1.00 44.32 73 A 1 ATOM 604 N NH1 . ARG A 1 73 ? 0.829 -1.552 24.702 1.00 42.27 73 A 1 ATOM 605 N NH2 . ARG A 1 73 ? -1.017 -0.835 25.745 1.00 39.44 73 A 1 ATOM 606 N N . ILE A 1 74 ? -1.734 3.847 19.214 1.00 67.31 74 A 1 ATOM 607 C CA . ILE A 1 74 ? -1.463 5.273 18.944 1.00 65.22 74 A 1 ATOM 608 C C . ILE A 1 74 ? -0.483 5.876 19.969 1.00 66.38 74 A 1 ATOM 609 O O . ILE A 1 74 ? 0.240 6.805 19.656 1.00 60.48 74 A 1 ATOM 610 C CB . ILE A 1 74 ? -2.802 6.057 18.906 1.00 58.90 74 A 1 ATOM 611 C CG1 . ILE A 1 74 ? -3.737 5.498 17.801 1.00 53.61 74 A 1 ATOM 612 C CG2 . ILE A 1 74 ? -2.577 7.566 18.684 1.00 52.94 74 A 1 ATOM 613 C CD1 . ILE A 1 74 ? -5.167 6.058 17.842 1.00 49.15 74 A 1 ATOM 614 N N . SER A 1 75 ? -0.388 5.307 21.172 1.00 64.39 75 A 1 ATOM 615 C CA . SER A 1 75 ? 0.600 5.732 22.171 1.00 64.37 75 A 1 ATOM 616 C C . SER A 1 75 ? 2.059 5.457 21.774 1.00 66.15 75 A 1 ATOM 617 O O . SER A 1 75 ? 2.967 5.959 22.429 1.00 61.38 75 A 1 ATOM 618 C CB . SER A 1 75 ? 0.306 5.033 23.501 1.00 57.86 75 A 1 ATOM 619 O OG . SER A 1 75 ? 0.341 3.622 23.368 1.00 51.79 75 A 1 ATOM 620 N N . GLU A 1 76 ? 2.285 4.630 20.750 1.00 65.72 76 A 1 ATOM 621 C CA . GLU A 1 76 ? 3.610 4.151 20.337 1.00 66.78 76 A 1 ATOM 622 C C . GLU A 1 76 ? 4.003 4.643 18.928 1.00 68.60 76 A 1 ATOM 623 O O . GLU A 1 76 ? 5.160 4.512 18.529 1.00 63.66 76 A 1 ATOM 624 C CB . GLU A 1 76 ? 3.633 2.608 20.450 1.00 62.18 76 A 1 ATOM 625 C CG . GLU A 1 76 ? 3.456 2.112 21.904 1.00 56.34 76 A 1 ATOM 626 C CD . GLU A 1 76 ? 3.284 0.582 22.049 1.00 53.42 76 A 1 ATOM 627 O OE1 . GLU A 1 76 ? 2.697 0.154 23.081 1.00 50.54 76 A 1 ATOM 628 O OE2 . GLU A 1 76 ? 3.676 -0.168 21.133 1.00 51.54 76 A 1 ATOM 629 N N . CYS A 1 77 ? 3.067 5.240 18.181 1.00 73.88 77 A 1 ATOM 630 C CA . CYS A 1 77 ? 3.293 5.772 16.837 1.00 75.76 77 A 1 ATOM 631 C C . CYS A 1 77 ? 2.561 7.110 16.642 1.00 77.53 77 A 1 ATOM 632 O O . CYS A 1 77 ? 1.426 7.275 17.074 1.00 74.47 77 A 1 ATOM 633 C CB . CYS A 1 77 ? 2.819 4.720 15.825 1.00 72.18 77 A 1 ATOM 634 S SG . CYS A 1 77 ? 3.334 5.182 14.145 1.00 65.29 77 A 1 ATOM 635 N N . GLU A 1 78 ? 3.198 8.063 15.949 1.00 79.63 78 A 1 ATOM 636 C CA . GLU A 1 78 ? 2.607 9.381 15.650 1.00 81.15 78 A 1 ATOM 637 C C . GLU A 1 78 ? 1.472 9.319 14.612 1.00 83.18 78 A 1 ATOM 638 O O . GLU A 1 78 ? 0.716 10.279 14.467 1.00 80.51 78 A 1 ATOM 639 C CB . GLU A 1 78 ? 3.705 10.335 15.148 1.00 77.23 78 A 1 ATOM 640 C CG . GLU A 1 78 ? 4.782 10.631 16.209 1.00 68.67 78 A 1 ATOM 641 C CD . GLU A 1 78 ? 5.867 11.612 15.719 1.00 65.00 78 A 1 ATOM 642 O OE1 . GLU A 1 78 ? 6.678 12.042 16.576 1.00 58.84 78 A 1 ATOM 643 O OE2 . GLU A 1 78 ? 5.922 11.897 14.501 1.00 59.10 78 A 1 ATOM 644 N N . LEU A 1 79 ? 1.367 8.211 13.880 1.00 86.53 79 A 1 ATOM 645 C CA . LEU A 1 79 ? 0.376 7.963 12.840 1.00 88.40 79 A 1 ATOM 646 C C . LEU A 1 79 ? -0.572 6.833 13.255 1.00 89.05 79 A 1 ATOM 647 O O . LEU A 1 79 ? -0.155 5.849 13.871 1.00 88.02 79 A 1 ATOM 648 C CB . LEU A 1 79 ? 1.095 7.613 11.527 1.00 88.23 79 A 1 ATOM 649 C CG . LEU A 1 79 ? 1.919 8.753 10.903 1.00 87.50 79 A 1 ATOM 650 C CD1 . LEU A 1 79 ? 2.709 8.216 9.703 1.00 84.60 79 A 1 ATOM 651 C CD2 . LEU A 1 79 ? 1.033 9.889 10.403 1.00 85.20 79 A 1 ATOM 652 N N . SER A 1 80 ? -1.838 6.928 12.843 1.00 91.50 80 A 1 ATOM 653 C CA . SER A 1 80 ? -2.782 5.816 12.964 1.00 91.93 80 A 1 ATOM 654 C C . SER A 1 80 ? -2.358 4.613 12.113 1.00 92.51 80 A 1 ATOM 655 O O . SER A 1 80 ? -1.521 4.708 11.213 1.00 92.60 80 A 1 ATOM 656 C CB . SER A 1 80 ? -4.204 6.251 12.593 1.00 91.67 80 A 1 ATOM 657 O OG . SER A 1 80 ? -4.322 6.445 11.200 1.00 90.15 80 A 1 ATOM 658 N N . ALA A 1 81 ? -2.991 3.467 12.361 1.00 91.97 81 A 1 ATOM 659 C CA . ALA A 1 81 ? -2.777 2.256 11.575 1.00 92.34 81 A 1 ATOM 660 C C . ALA A 1 81 ? -3.012 2.481 10.071 1.00 93.38 81 A 1 ATOM 661 O O . ALA A 1 81 ? -2.204 2.050 9.246 1.00 93.31 81 A 1 ATOM 662 C CB . ALA A 1 81 ? -3.704 1.169 12.133 1.00 91.08 81 A 1 ATOM 663 N N . ASP A 1 82 ? -4.073 3.208 9.709 1.00 93.60 82 A 1 ATOM 664 C CA . ASP A 1 82 ? -4.357 3.529 8.312 1.00 94.21 82 A 1 ATOM 665 C C . ASP A 1 82 ? -3.323 4.498 7.725 1.00 95.24 82 A 1 ATOM 666 O O . ASP A 1 82 ? -2.790 4.252 6.643 1.00 94.74 82 A 1 ATOM 667 C CB . ASP A 1 82 ? -5.772 4.105 8.175 1.00 92.60 82 A 1 ATOM 668 C CG . ASP A 1 82 ? -6.855 3.025 8.222 1.00 86.00 82 A 1 ATOM 669 O OD1 . ASP A 1 82 ? -6.642 1.957 7.598 1.00 78.47 82 A 1 ATOM 670 O OD2 . ASP A 1 82 ? -7.914 3.285 8.833 1.00 78.09 82 A 1 ATOM 671 N N . ALA A 1 83 ? -2.985 5.564 8.449 1.00 94.44 83 A 1 ATOM 672 C CA . ALA A 1 83 ? -2.040 6.569 7.979 1.00 94.94 83 A 1 ATOM 673 C C . ALA A 1 83 ? -0.641 5.977 7.743 1.00 95.60 83 A 1 ATOM 674 O O . ALA A 1 83 ? -0.060 6.175 6.672 1.00 95.73 83 A 1 ATOM 675 C CB . ALA A 1 83 ? -2.017 7.723 8.986 1.00 94.52 83 A 1 ATOM 676 N N . VAL A 1 84 ? -0.122 5.171 8.675 1.00 94.40 84 A 1 ATOM 677 C CA . VAL A 1 84 ? 1.182 4.507 8.497 1.00 94.52 84 A 1 ATOM 678 C C . VAL A 1 84 ? 1.152 3.503 7.345 1.00 95.41 84 A 1 ATOM 679 O O . VAL A 1 84 ? 2.122 3.382 6.599 1.00 95.54 84 A 1 ATOM 680 C CB . VAL A 1 84 ? 1.673 3.879 9.821 1.00 92.86 84 A 1 ATOM 681 C CG1 . VAL A 1 84 ? 0.969 2.571 10.197 1.00 81.36 84 A 1 ATOM 682 C CG2 . VAL A 1 84 ? 3.177 3.613 9.775 1.00 83.01 84 A 1 ATOM 683 N N . GLY A 1 85 ? 0.019 2.823 7.134 1.00 95.00 85 A 1 ATOM 684 C CA . GLY A 1 85 ? -0.185 1.917 6.007 1.00 95.52 85 A 1 ATOM 685 C C . GLY A 1 85 ? -0.191 2.623 4.654 1.00 96.49 85 A 1 ATOM 686 O O . GLY A 1 85 ? 0.441 2.154 3.699 1.00 96.77 85 A 1 ATOM 687 N N . ILE A 1 86 ? -0.852 3.773 4.576 1.00 96.14 86 A 1 ATOM 688 C CA . ILE A 1 86 ? -0.851 4.638 3.391 1.00 96.82 86 A 1 ATOM 689 C C . ILE A 1 86 ? 0.580 5.073 3.064 1.00 97.14 86 A 1 ATOM 690 O O . ILE A 1 86 ? 1.041 4.836 1.946 1.00 97.12 86 A 1 ATOM 691 C CB . ILE A 1 86 ? -1.807 5.838 3.601 1.00 96.94 86 A 1 ATOM 692 C CG1 . ILE A 1 86 ? -3.279 5.354 3.592 1.00 96.25 86 A 1 ATOM 693 C CG2 . ILE A 1 86 ? -1.609 6.913 2.517 1.00 96.27 86 A 1 ATOM 694 C CD1 . ILE A 1 86 ? -4.266 6.374 4.186 1.00 94.22 86 A 1 ATOM 695 N N . VAL A 1 87 ? 1.314 5.614 4.037 1.00 96.42 87 A 1 ATOM 696 C CA . VAL A 1 87 ? 2.709 6.054 3.853 1.00 96.42 87 A 1 ATOM 697 C C . VAL A 1 87 ? 3.596 4.900 3.382 1.00 96.91 87 A 1 ATOM 698 O O . VAL A 1 87 ? 4.281 5.017 2.365 1.00 96.94 87 A 1 ATOM 699 C CB . VAL A 1 87 ? 3.268 6.672 5.152 1.00 95.74 87 A 1 ATOM 700 C CG1 . VAL A 1 87 ? 4.757 7.020 5.020 1.00 93.83 87 A 1 ATOM 701 C CG2 . VAL A 1 87 ? 2.536 7.965 5.515 1.00 93.99 87 A 1 ATOM 702 N N . ALA A 1 88 ? 3.558 3.753 4.066 1.00 96.06 88 A 1 ATOM 703 C CA . ALA A 1 88 ? 4.370 2.584 3.719 1.00 96.22 88 A 1 ATOM 704 C C . ALA A 1 88 ? 4.099 2.079 2.294 1.00 96.90 88 A 1 ATOM 705 O O . ALA A 1 88 ? 5.027 1.737 1.550 1.00 97.02 88 A 1 ATOM 706 C CB . ALA A 1 88 ? 4.082 1.486 4.749 1.00 95.70 88 A 1 ATOM 707 N N . THR A 1 89 ? 2.828 2.072 1.888 1.00 96.63 89 A 1 ATOM 708 C CA . THR A 1 89 ? 2.427 1.662 0.538 1.00 97.17 89 A 1 ATOM 709 C C . THR A 1 89 ? 2.881 2.681 -0.507 1.00 97.39 89 A 1 ATOM 710 O O . THR A 1 89 ? 3.419 2.287 -1.542 1.00 97.12 89 A 1 ATOM 711 C CB . THR A 1 89 ? 0.915 1.428 0.456 1.00 97.14 89 A 1 ATOM 712 O OG1 . THR A 1 89 ? 0.514 0.494 1.435 1.00 94.52 89 A 1 ATOM 713 C CG2 . THR A 1 89 ? 0.505 0.840 -0.894 1.00 95.00 89 A 1 ATOM 714 N N . MET A 1 90 ? 2.757 3.985 -0.244 1.00 97.75 90 A 1 ATOM 715 C CA . MET A 1 90 ? 3.235 5.039 -1.148 1.00 97.74 90 A 1 ATOM 716 C C . MET A 1 90 ? 4.753 4.976 -1.357 1.00 97.70 90 A 1 ATOM 717 O O . MET A 1 90 ? 5.220 5.008 -2.498 1.00 97.12 90 A 1 ATOM 718 C CB . MET A 1 90 ? 2.834 6.424 -0.615 1.00 97.42 90 A 1 ATOM 719 C CG . MET A 1 90 ? 1.335 6.685 -0.800 1.00 94.94 90 A 1 ATOM 720 S SD . MET A 1 90 ? 0.768 8.316 -0.242 1.00 91.91 90 A 1 ATOM 721 C CE . MET A 1 90 ? 1.443 9.373 -1.553 1.00 81.18 90 A 1 ATOM 722 N N . LEU A 1 91 ? 5.523 4.808 -0.280 1.00 97.23 91 A 1 ATOM 723 C CA . LEU A 1 91 ? 6.979 4.650 -0.357 1.00 96.94 91 A 1 ATOM 724 C C . LEU A 1 91 ? 7.377 3.410 -1.165 1.00 96.96 91 A 1 ATOM 725 O O . LEU A 1 91 ? 8.277 3.479 -2.007 1.00 96.46 91 A 1 ATOM 726 C CB . LEU A 1 91 ? 7.555 4.573 1.069 1.00 96.77 91 A 1 ATOM 727 C CG . LEU A 1 91 ? 7.489 5.893 1.863 1.00 95.87 91 A 1 ATOM 728 C CD1 . LEU A 1 91 ? 7.975 5.645 3.290 1.00 94.07 91 A 1 ATOM 729 C CD2 . LEU A 1 91 ? 8.362 6.989 1.250 1.00 94.12 91 A 1 ATOM 730 N N . THR A 1 92 ? 6.656 2.299 -0.978 1.00 96.89 92 A 1 ATOM 731 C CA . THR A 1 92 ? 6.865 1.066 -1.750 1.00 97.02 92 A 1 ATOM 732 C C . THR A 1 92 ? 6.583 1.271 -3.235 1.00 97.00 92 A 1 ATOM 733 O O . THR A 1 92 ? 7.389 0.871 -4.078 1.00 96.44 92 A 1 ATOM 734 C CB . THR A 1 92 ? 5.971 -0.063 -1.224 1.00 96.86 92 A 1 ATOM 735 O OG1 . THR A 1 92 ? 6.318 -0.332 0.112 1.00 93.52 92 A 1 ATOM 736 C CG2 . THR A 1 92 ? 6.132 -1.364 -2.013 1.00 94.01 92 A 1 ATOM 737 N N . LEU A 1 93 ? 5.464 1.899 -3.582 1.00 96.59 93 A 1 ATOM 738 C CA . LEU A 1 93 ? 5.088 2.163 -4.971 1.00 96.36 93 A 1 ATOM 739 C C . LEU A 1 93 ? 6.099 3.084 -5.659 1.00 96.04 93 A 1 ATOM 740 O O . LEU A 1 93 ? 6.506 2.801 -6.789 1.00 95.65 93 A 1 ATOM 741 C CB . LEU A 1 93 ? 3.676 2.761 -5.006 1.00 96.58 93 A 1 ATOM 742 C CG . LEU A 1 93 ? 2.557 1.761 -4.665 1.00 96.21 93 A 1 ATOM 743 C CD1 . LEU A 1 93 ? 1.232 2.513 -4.517 1.00 94.94 93 A 1 ATOM 744 C CD2 . LEU A 1 93 ? 2.393 0.692 -5.750 1.00 95.08 93 A 1 ATOM 745 N N . ARG A 1 94 ? 6.566 4.122 -4.966 1.00 97.22 94 A 1 ATOM 746 C CA . ARG A 1 94 ? 7.632 5.010 -5.445 1.00 96.62 94 A 1 ATOM 747 C C . ARG A 1 94 ? 8.921 4.235 -5.708 1.00 96.52 94 A 1 ATOM 748 O O . ARG A 1 94 ? 9.489 4.349 -6.794 1.00 95.99 94 A 1 ATOM 749 C CB . ARG A 1 94 ? 7.839 6.147 -4.425 1.00 95.81 94 A 1 ATOM 750 C CG . ARG A 1 94 ? 8.860 7.189 -4.917 1.00 88.36 94 A 1 ATOM 751 C CD . ARG A 1 94 ? 8.972 8.387 -3.962 1.00 86.06 94 A 1 ATOM 752 N NE . ARG A 1 94 ? 9.661 8.060 -2.695 1.00 74.77 94 A 1 ATOM 753 C CZ . ARG A 1 94 ? 9.861 8.904 -1.681 1.00 69.49 94 A 1 ATOM 754 N NH1 . ARG A 1 94 ? 9.402 10.125 -1.687 1.00 64.26 94 A 1 ATOM 755 N NH2 . ARG A 1 94 ? 10.537 8.538 -0.630 1.00 58.84 94 A 1 ATOM 756 N N . GLN A 1 95 ? 9.339 3.404 -4.753 1.00 96.18 95 A 1 ATOM 757 C CA . GLN A 1 95 ? 10.536 2.576 -4.897 1.00 95.74 95 A 1 ATOM 758 C C . GLN A 1 95 ? 10.430 1.620 -6.094 1.00 95.48 95 A 1 ATOM 759 O O . GLN A 1 95 ? 11.329 1.584 -6.937 1.00 94.60 95 A 1 ATOM 760 C CB . GLN A 1 95 ? 10.789 1.827 -3.577 1.00 95.44 95 A 1 ATOM 761 C CG . GLN A 1 95 ? 12.054 0.959 -3.669 1.00 92.70 95 A 1 ATOM 762 C CD . GLN A 1 95 ? 12.391 0.231 -2.381 1.00 92.00 95 A 1 ATOM 763 O OE1 . GLN A 1 95 ? 11.921 0.522 -1.288 1.00 88.43 95 A 1 ATOM 764 N NE2 . GLN A 1 95 ? 13.256 -0.755 -2.472 1.00 86.03 95 A 1 ATOM 765 N N . LEU A 1 96 ? 9.324 0.884 -6.219 1.00 94.82 96 A 1 ATOM 766 C CA . LEU A 1 96 ? 9.114 -0.057 -7.322 1.00 94.39 96 A 1 ATOM 767 C C . LEU A 1 96 ? 9.027 0.638 -8.687 1.00 94.03 96 A 1 ATOM 768 O O . LEU A 1 96 ? 9.504 0.088 -9.682 1.00 93.35 96 A 1 ATOM 769 C CB . LEU A 1 96 ? 7.838 -0.874 -7.066 1.00 95.15 96 A 1 ATOM 770 C CG . LEU A 1 96 ? 7.943 -1.910 -5.934 1.00 94.58 96 A 1 ATOM 771 C CD1 . LEU A 1 96 ? 6.573 -2.564 -5.745 1.00 92.89 96 A 1 ATOM 772 C CD2 . LEU A 1 96 ? 8.957 -3.015 -6.245 1.00 93.08 96 A 1 ATOM 773 N N . ALA A 1 97 ? 8.452 1.840 -8.748 1.00 95.19 97 A 1 ATOM 774 C CA . ALA A 1 97 ? 8.422 2.636 -9.973 1.00 94.44 97 A 1 ATOM 775 C C . ALA A 1 97 ? 9.842 3.005 -10.431 1.00 93.73 97 A 1 ATOM 776 O O . ALA A 1 97 ? 10.176 2.803 -11.601 1.00 92.68 97 A 1 ATOM 777 C CB . ALA A 1 97 ? 7.550 3.880 -9.755 1.00 94.67 97 A 1 ATOM 778 N N . HIS A 1 98 ? 10.692 3.474 -9.504 1.00 94.41 98 A 1 ATOM 779 C CA . HIS A 1 98 ? 12.094 3.799 -9.787 1.00 93.23 98 A 1 ATOM 780 C C . HIS A 1 98 ? 12.926 2.569 -10.169 1.00 92.57 98 A 1 ATOM 781 O O . HIS A 1 98 ? 13.630 2.599 -11.177 1.00 91.53 98 A 1 ATOM 782 C CB . HIS A 1 98 ? 12.715 4.513 -8.580 1.00 92.01 98 A 1 ATOM 783 C CG . HIS A 1 98 ? 12.295 5.958 -8.470 1.00 83.31 98 A 1 ATOM 784 N ND1 . HIS A 1 98 ? 12.619 6.959 -9.359 1.00 71.19 98 A 1 ATOM 785 C CD2 . HIS A 1 98 ? 11.545 6.525 -7.479 1.00 69.89 98 A 1 ATOM 786 C CE1 . HIS A 1 98 ? 12.075 8.101 -8.913 1.00 67.83 98 A 1 ATOM 787 N NE2 . HIS A 1 98 ? 11.415 7.891 -7.767 1.00 69.87 98 A 1 ATOM 788 N N . GLU A 1 99 ? 12.819 1.473 -9.418 1.00 90.56 99 A 1 ATOM 789 C CA . GLU A 1 99 ? 13.526 0.221 -9.718 1.00 89.54 99 A 1 ATOM 790 C C . GLU A 1 99 ? 13.142 -0.330 -11.099 1.00 89.18 99 A 1 ATOM 791 O O . GLU A 1 99 ? 14.000 -0.783 -11.857 1.00 87.58 99 A 1 ATOM 792 C CB . GLU A 1 99 ? 13.204 -0.842 -8.651 1.00 89.17 99 A 1 ATOM 793 C CG . GLU A 1 99 ? 13.874 -0.587 -7.289 1.00 87.46 99 A 1 ATOM 794 C CD . GLU A 1 99 ? 13.499 -1.643 -6.227 1.00 87.75 99 A 1 ATOM 795 O OE1 . GLU A 1 99 ? 13.850 -1.474 -5.039 1.00 81.88 99 A 1 ATOM 796 O OE2 . GLU A 1 99 ? 12.911 -2.703 -6.563 1.00 84.28 99 A 1 ATOM 797 N N . SER A 1 100 ? 11.855 -0.263 -11.447 1.00 88.41 100 A 1 ATOM 798 C CA . SER A 1 100 ? 11.372 -0.714 -12.755 1.00 87.35 100 A 1 ATOM 799 C C . SER A 1 100 ? 11.886 0.179 -13.887 1.00 85.56 100 A 1 ATOM 800 O O . SER A 1 100 ? 12.247 -0.339 -14.937 1.00 83.86 100 A 1 ATOM 801 C CB . SER A 1 100 ? 9.843 -0.762 -12.796 1.00 87.60 100 A 1 ATOM 802 O OG . SER A 1 100 ? 9.334 -1.634 -11.804 1.00 81.63 100 A 1 ATOM 803 N N . ALA A 1 101 ? 11.959 1.498 -13.676 1.00 86.87 101 A 1 ATOM 804 C CA . ALA A 1 101 ? 12.515 2.426 -14.662 1.00 85.12 101 A 1 ATOM 805 C C . ALA A 1 101 ? 14.021 2.196 -14.886 1.00 82.80 101 A 1 ATOM 806 O O . ALA A 1 101 ? 14.461 2.102 -16.029 1.00 80.44 101 A 1 ATOM 807 C CB . ALA A 1 101 ? 12.215 3.860 -14.213 1.00 84.49 101 A 1 ATOM 808 N N . ALA A 1 102 ? 14.797 2.003 -13.806 1.00 84.20 102 A 1 ATOM 809 C CA . ALA A 1 102 ? 16.237 1.739 -13.891 1.00 83.66 102 A 1 ATOM 810 C C . ALA A 1 102 ? 16.568 0.409 -14.595 1.00 81.28 102 A 1 ATOM 811 O O . ALA A 1 102 ? 17.586 0.286 -15.273 1.00 78.42 102 A 1 ATOM 812 C CB . ALA A 1 102 ? 16.800 1.765 -12.464 1.00 82.28 102 A 1 ATOM 813 N N . CYS A 1 103 ? 15.689 -0.597 -14.496 1.00 77.65 103 A 1 ATOM 814 C CA . CYS A 1 103 ? 15.867 -1.882 -15.178 1.00 76.72 103 A 1 ATOM 815 C C . CYS A 1 103 ? 15.824 -1.768 -16.713 1.00 72.83 103 A 1 ATOM 816 O O . CYS A 1 103 ? 16.348 -2.642 -17.397 1.00 70.80 103 A 1 ATOM 817 C CB . CYS A 1 103 ? 14.806 -2.859 -14.655 1.00 72.92 103 A 1 ATOM 818 S SG . CYS A 1 103 ? 15.243 -4.582 -15.049 1.00 61.10 103 A 1 ATOM 819 N N . VAL A 1 104 ? 15.215 -0.711 -17.258 1.00 72.41 104 A 1 ATOM 820 C CA . VAL A 1 104 ? 15.163 -0.462 -18.710 1.00 71.10 104 A 1 ATOM 821 C C . VAL A 1 104 ? 16.553 -0.161 -19.273 1.00 69.86 104 A 1 ATOM 822 O O . VAL A 1 104 ? 16.859 -0.561 -20.395 1.00 68.10 104 A 1 ATOM 823 C CB . VAL A 1 104 ? 14.206 0.702 -19.037 1.00 68.34 104 A 1 ATOM 824 C CG1 . VAL A 1 104 ? 14.086 0.965 -20.543 1.00 62.45 104 A 1 ATOM 825 C CG2 . VAL A 1 104 ? 12.796 0.437 -18.499 1.00 65.48 104 A 1 ATOM 826 N N . GLU A 1 105 ? 17.406 0.517 -18.500 1.00 65.34 105 A 1 ATOM 827 C CA . GLU A 1 105 ? 18.758 0.889 -18.932 1.00 67.16 105 A 1 ATOM 828 C C . GLU A 1 105 ? 19.732 -0.299 -18.879 1.00 66.28 105 A 1 ATOM 829 O O . GLU A 1 105 ? 20.690 -0.352 -19.647 1.00 63.99 105 A 1 ATOM 830 C CB . GLU A 1 105 ? 19.276 2.046 -18.066 1.00 65.27 105 A 1 ATOM 831 C CG . GLU A 1 105 ? 18.413 3.316 -18.203 1.00 58.95 105 A 1 ATOM 832 C CD . GLU A 1 105 ? 18.945 4.518 -17.401 1.00 56.27 105 A 1 ATOM 833 O OE1 . GLU A 1 105 ? 18.362 5.613 -17.570 1.00 52.80 105 A 1 ATOM 834 O OE2 . GLU A 1 105 ? 19.902 4.339 -16.615 1.00 52.99 105 A 1 ATOM 835 N N . ALA A 1 106 ? 19.484 -1.269 -17.989 1.00 69.86 106 A 1 ATOM 836 C CA . ALA A 1 106 ? 20.354 -2.423 -17.771 1.00 71.76 106 A 1 ATOM 837 C C . ALA A 1 106 ? 20.082 -3.606 -18.726 1.00 70.73 106 A 1 ATOM 838 O O . ALA A 1 106 ? 20.995 -4.379 -19.013 1.00 66.24 106 A 1 ATOM 839 C CB . ALA A 1 106 ? 20.211 -2.839 -16.305 1.00 70.95 106 A 1 ATOM 840 N N . ASP A 1 107 ? 18.852 -3.769 -19.209 1.00 60.72 107 A 1 ATOM 841 C CA . ASP A 1 107 ? 18.442 -4.889 -20.068 1.00 62.39 107 A 1 ATOM 842 C C . ASP A 1 107 ? 17.890 -4.371 -21.406 1.00 60.99 107 A 1 ATOM 843 O O . ASP A 1 107 ? 16.721 -4.011 -21.542 1.00 57.28 107 A 1 ATOM 844 C CB . ASP A 1 107 ? 17.462 -5.805 -19.312 1.00 59.48 107 A 1 ATOM 845 C CG . ASP A 1 107 ? 17.258 -7.175 -19.981 1.00 53.14 107 A 1 ATOM 846 O OD1 . ASP A 1 107 ? 17.697 -7.364 -21.141 1.00 52.21 107 A 1 ATOM 847 O OD2 . ASP A 1 107 ? 16.639 -8.049 -19.324 1.00 50.39 107 A 1 ATOM 848 N N . SER A 1 108 ? 18.767 -4.328 -22.413 1.00 61.39 108 A 1 ATOM 849 C CA . SER A 1 108 ? 18.471 -3.802 -23.755 1.00 62.63 108 A 1 ATOM 850 C C . SER A 1 108 ? 17.589 -4.719 -24.616 1.00 63.11 108 A 1 ATOM 851 O O . SER A 1 108 ? 17.335 -4.420 -25.789 1.00 58.34 108 A 1 ATOM 852 C CB . SER A 1 108 ? 19.782 -3.462 -24.472 1.00 58.70 108 A 1 ATOM 853 O OG . SER A 1 108 ? 20.599 -4.606 -24.609 1.00 52.12 108 A 1 ATOM 854 N N . THR A 1 109 ? 17.103 -5.840 -24.074 1.00 61.77 109 A 1 ATOM 855 C CA . THR A 1 109 ? 16.164 -6.698 -24.806 1.00 63.59 109 A 1 ATOM 856 C C . THR A 1 109 ? 14.777 -6.043 -24.850 1.00 63.21 109 A 1 ATOM 857 O O . THR A 1 109 ? 14.120 -5.815 -23.838 1.00 58.26 109 A 1 ATOM 858 C CB . THR A 1 109 ? 16.125 -8.142 -24.291 1.00 60.96 109 A 1 ATOM 859 O OG1 . THR A 1 109 ? 15.708 -8.238 -22.957 1.00 54.06 109 A 1 ATOM 860 C CG2 . THR A 1 109 ? 17.472 -8.845 -24.423 1.00 54.40 109 A 1 ATOM 861 N N . TYR A 1 110 ? 14.310 -5.751 -26.053 1.00 62.14 110 A 1 ATOM 862 C CA . TYR A 1 110 ? 13.073 -4.999 -26.320 1.00 62.96 110 A 1 ATOM 863 C C . TYR A 1 110 ? 11.832 -5.462 -25.514 1.00 64.41 110 A 1 ATOM 864 O O . TYR A 1 110 ? 11.105 -4.607 -24.999 1.00 60.92 110 A 1 ATOM 865 C CB . TYR A 1 110 ? 12.820 -5.045 -27.838 1.00 56.61 110 A 1 ATOM 866 C CG . TYR A 1 110 ? 11.691 -4.157 -28.325 1.00 50.64 110 A 1 ATOM 867 C CD1 . TYR A 1 110 ? 10.408 -4.699 -28.561 1.00 49.11 110 A 1 ATOM 868 C CD2 . TYR A 1 110 ? 11.930 -2.792 -28.571 1.00 45.77 110 A 1 ATOM 869 C CE1 . TYR A 1 110 ? 9.374 -3.878 -29.047 1.00 40.54 110 A 1 ATOM 870 C CE2 . TYR A 1 110 ? 10.895 -1.966 -29.055 1.00 41.86 110 A 1 ATOM 871 C CZ . TYR A 1 110 ? 9.614 -2.510 -29.298 1.00 42.14 110 A 1 ATOM 872 O OH . TYR A 1 110 ? 8.615 -1.715 -29.772 1.00 40.30 110 A 1 ATOM 873 N N . PRO A 1 111 ? 11.550 -6.780 -25.334 1.00 65.43 111 A 1 ATOM 874 C CA . PRO A 1 111 ? 10.400 -7.214 -24.539 1.00 71.43 111 A 1 ATOM 875 C C . PRO A 1 111 ? 10.568 -6.971 -23.030 1.00 72.74 111 A 1 ATOM 876 O O . PRO A 1 111 ? 9.590 -6.633 -22.365 1.00 70.50 111 A 1 ATOM 877 C CB . PRO A 1 111 ? 10.216 -8.700 -24.876 1.00 68.07 111 A 1 ATOM 878 C CG . PRO A 1 111 ? 11.602 -9.160 -25.311 1.00 63.86 111 A 1 ATOM 879 C CD . PRO A 1 111 ? 12.173 -7.925 -25.994 1.00 69.19 111 A 1 ATOM 880 N N . ALA A 1 112 ? 11.780 -7.106 -22.474 1.00 72.84 112 A 1 ATOM 881 C CA . ALA A 1 112 ? 12.050 -6.857 -21.056 1.00 76.30 112 A 1 ATOM 882 C C . ALA A 1 112 ? 11.965 -5.358 -20.728 1.00 77.25 112 A 1 ATOM 883 O O . ALA A 1 112 ? 11.299 -4.980 -19.759 1.00 76.21 112 A 1 ATOM 884 C CB . ALA A 1 112 ? 13.419 -7.445 -20.698 1.00 72.63 112 A 1 ATOM 885 N N . ALA A 1 113 ? 12.522 -4.505 -21.581 1.00 72.23 113 A 1 ATOM 886 C CA . ALA A 1 113 ? 12.431 -3.053 -21.461 1.00 75.11 113 A 1 ATOM 887 C C . ALA A 1 113 ? 10.970 -2.567 -21.507 1.00 76.09 113 A 1 ATOM 888 O O . ALA A 1 113 ? 10.531 -1.807 -20.644 1.00 75.95 113 A 1 ATOM 889 C CB . ALA A 1 113 ? 13.280 -2.428 -22.575 1.00 72.42 113 A 1 ATOM 890 N N . LYS A 1 114 ? 10.167 -3.075 -22.445 1.00 77.06 114 A 1 ATOM 891 C CA . LYS A 1 114 ? 8.737 -2.733 -22.534 1.00 78.00 114 A 1 ATOM 892 C C . LYS A 1 114 ? 7.954 -3.152 -21.283 1.00 77.18 114 A 1 ATOM 893 O O . LYS A 1 114 ? 7.094 -2.403 -20.810 1.00 78.20 114 A 1 ATOM 894 C CB . LYS A 1 114 ? 8.151 -3.356 -23.809 1.00 77.60 114 A 1 ATOM 895 C CG . LYS A 1 114 ? 6.703 -2.910 -24.048 1.00 70.33 114 A 1 ATOM 896 C CD . LYS A 1 114 ? 6.178 -3.464 -25.378 1.00 68.37 114 A 1 ATOM 897 C CE . LYS A 1 114 ? 4.743 -2.981 -25.601 1.00 62.29 114 A 1 ATOM 898 N NZ . LYS A 1 114 ? 4.199 -3.456 -26.903 1.00 53.95 114 A 1 ATOM 899 N N . LEU A 1 115 ? 8.248 -4.328 -20.732 1.00 76.18 115 A 1 ATOM 900 C CA . LEU A 1 115 ? 7.623 -4.811 -19.497 1.00 77.16 115 A 1 ATOM 901 C C . LEU A 1 115 ? 8.008 -3.942 -18.291 1.00 78.27 115 A 1 ATOM 902 O O . LEU A 1 115 ? 7.142 -3.602 -17.485 1.00 79.53 115 A 1 ATOM 903 C CB . LEU A 1 115 ? 8.006 -6.284 -19.289 1.00 76.80 115 A 1 ATOM 904 C CG . LEU A 1 115 ? 7.341 -6.936 -18.063 1.00 67.65 115 A 1 ATOM 905 C CD1 . LEU A 1 115 ? 5.818 -6.994 -18.188 1.00 63.18 115 A 1 ATOM 906 C CD2 . LEU A 1 115 ? 7.862 -8.366 -17.899 1.00 66.43 115 A 1 ATOM 907 N N . ALA A 1 116 ? 9.276 -3.542 -18.183 1.00 77.45 116 A 1 ATOM 908 C CA . ALA A 1 116 ? 9.775 -2.679 -17.117 1.00 79.38 116 A 1 ATOM 909 C C . ALA A 1 116 ? 9.140 -1.276 -17.163 1.00 80.09 116 A 1 ATOM 910 O O . ALA A 1 116 ? 8.654 -0.793 -16.139 1.00 81.68 116 A 1 ATOM 911 C CB . ALA A 1 116 ? 11.301 -2.631 -17.220 1.00 76.96 116 A 1 ATOM 912 N N . VAL A 1 117 ? 9.029 -0.667 -18.347 1.00 78.49 117 A 1 ATOM 913 C CA . VAL A 1 117 ? 8.301 0.603 -18.541 1.00 80.42 117 A 1 ATOM 914 C C . VAL A 1 117 ? 6.838 0.461 -18.121 1.00 81.44 117 A 1 ATOM 915 O O . VAL A 1 117 ? 6.319 1.291 -17.376 1.00 83.18 117 A 1 ATOM 916 C CB . VAL A 1 117 ? 8.387 1.079 -20.004 1.00 78.71 117 A 1 ATOM 917 C CG1 . VAL A 1 117 ? 7.494 2.298 -20.276 1.00 71.01 117 A 1 ATOM 918 C CG2 . VAL A 1 117 ? 9.817 1.488 -20.370 1.00 75.75 117 A 1 ATOM 919 N N . THR A 1 118 ? 6.173 -0.617 -18.544 1.00 79.85 118 A 1 ATOM 920 C CA . THR A 1 118 ? 4.766 -0.862 -18.189 1.00 81.88 118 A 1 ATOM 921 C C . THR A 1 118 ? 4.584 -0.995 -16.674 1.00 82.41 118 A 1 ATOM 922 O O . THR A 1 118 ? 3.636 -0.443 -16.111 1.00 83.43 118 A 1 ATOM 923 C CB . THR A 1 118 ? 4.235 -2.124 -18.888 1.00 80.14 118 A 1 ATOM 924 O OG1 . THR A 1 118 ? 4.401 -2.026 -20.285 1.00 71.09 118 A 1 ATOM 925 C CG2 . THR A 1 118 ? 2.742 -2.339 -18.643 1.00 71.04 118 A 1 ATOM 926 N N . ALA A 1 119 ? 5.498 -1.693 -15.990 1.00 84.84 119 A 1 ATOM 927 C CA . ALA A 1 119 ? 5.486 -1.831 -14.537 1.00 86.14 119 A 1 ATOM 928 C C . ALA A 1 119 ? 5.720 -0.483 -13.836 1.00 87.01 119 A 1 ATOM 929 O O . ALA A 1 119 ? 4.960 -0.137 -12.932 1.00 87.86 119 A 1 ATOM 930 C CB . ALA A 1 119 ? 6.528 -2.882 -14.131 1.00 85.12 119 A 1 ATOM 931 N N . SER A 1 120 ? 6.697 0.310 -14.284 1.00 89.44 120 A 1 ATOM 932 C CA . SER A 1 120 ? 6.983 1.646 -13.749 1.00 89.84 120 A 1 ATOM 933 C C . SER A 1 120 ? 5.757 2.564 -13.835 1.00 90.68 120 A 1 ATOM 934 O O . SER A 1 120 ? 5.322 3.120 -12.827 1.00 91.91 120 A 1 ATOM 935 C CB . SER A 1 120 ? 8.167 2.261 -14.497 1.00 88.70 120 A 1 ATOM 936 O OG . SER A 1 120 ? 8.473 3.532 -13.960 1.00 78.12 120 A 1 ATOM 937 N N . VAL A 1 121 ? 5.124 2.636 -15.013 1.00 91.52 121 A 1 ATOM 938 C CA . VAL A 1 121 ? 3.901 3.428 -15.227 1.00 92.01 121 A 1 ATOM 939 C C . VAL A 1 121 ? 2.763 2.940 -14.331 1.00 93.17 121 A 1 ATOM 940 O O . VAL A 1 121 ? 2.079 3.754 -13.709 1.00 93.72 121 A 1 ATOM 941 C CB . VAL A 1 121 ? 3.485 3.393 -16.711 1.00 91.05 121 A 1 ATOM 942 C CG1 . VAL A 1 121 ? 2.123 4.067 -16.950 1.00 86.91 121 A 1 ATOM 943 C CG2 . VAL A 1 121 ? 4.512 4.127 -17.583 1.00 87.22 121 A 1 ATOM 944 N N . LYS A 1 122 ? 2.574 1.623 -14.214 1.00 92.79 122 A 1 ATOM 945 C CA . LYS A 1 122 ? 1.553 1.040 -13.335 1.00 92.48 122 A 1 ATOM 946 C C . LYS A 1 122 ? 1.768 1.449 -11.878 1.00 93.98 122 A 1 ATOM 947 O O . LYS A 1 122 ? 0.815 1.858 -11.221 1.00 94.39 122 A 1 ATOM 948 C CB . LYS A 1 122 ? 1.539 -0.489 -13.506 1.00 91.34 122 A 1 ATOM 949 C CG . LYS A 1 122 ? 0.461 -1.147 -12.635 1.00 87.48 122 A 1 ATOM 950 C CD . LYS A 1 122 ? 0.489 -2.678 -12.750 1.00 84.17 122 A 1 ATOM 951 C CE . LYS A 1 122 ? -0.585 -3.235 -11.813 1.00 76.82 122 A 1 ATOM 952 N NZ . LYS A 1 122 ? -0.585 -4.719 -11.750 1.00 69.45 122 A 1 ATOM 953 N N . PHE A 1 123 ? 2.990 1.350 -11.353 1.00 94.61 123 A 1 ATOM 954 C CA . PHE A 1 123 ? 3.281 1.730 -9.967 1.00 95.22 123 A 1 ATOM 955 C C . PHE A 1 123 ? 3.116 3.233 -9.729 1.00 95.81 123 A 1 ATOM 956 O O . PHE A 1 123 ? 2.544 3.618 -8.710 1.00 95.61 123 A 1 ATOM 957 C CB . PHE A 1 123 ? 4.684 1.251 -9.571 1.00 95.00 123 A 1 ATOM 958 C CG . PHE A 1 123 ? 4.854 -0.259 -9.545 1.00 94.90 123 A 1 ATOM 959 C CD1 . PHE A 1 123 ? 3.895 -1.083 -8.927 1.00 92.42 123 A 1 ATOM 960 C CD2 . PHE A 1 123 ? 5.993 -0.844 -10.135 1.00 92.83 123 A 1 ATOM 961 C CE1 . PHE A 1 123 ? 4.059 -2.481 -8.922 1.00 91.77 123 A 1 ATOM 962 C CE2 . PHE A 1 123 ? 6.157 -2.239 -10.125 1.00 91.63 123 A 1 ATOM 963 C CZ . PHE A 1 123 ? 5.188 -3.060 -9.523 1.00 92.46 123 A 1 ATOM 964 N N . ALA A 1 124 ? 3.514 4.069 -10.676 1.00 95.62 124 A 1 ATOM 965 C CA . ALA A 1 124 ? 3.263 5.509 -10.612 1.00 95.58 124 A 1 ATOM 966 C C . ALA A 1 124 ? 1.754 5.829 -10.581 1.00 95.84 124 A 1 ATOM 967 O O . ALA A 1 124 ? 1.305 6.620 -9.753 1.00 95.68 124 A 1 ATOM 968 C CB . ALA A 1 124 ? 3.967 6.175 -11.802 1.00 95.29 124 A 1 ATOM 969 N N . GLN A 1 125 ? 0.944 5.167 -11.409 1.00 95.66 125 A 1 ATOM 970 C CA . GLN A 1 125 ? -0.516 5.320 -11.382 1.00 95.27 125 A 1 ATOM 971 C C . GLN A 1 125 ? -1.116 4.898 -10.036 1.00 95.60 125 A 1 ATOM 972 O O . GLN A 1 125 ? -1.938 5.623 -9.476 1.00 95.74 125 A 1 ATOM 973 C CB . GLN A 1 125 ? -1.147 4.494 -12.510 1.00 94.73 125 A 1 ATOM 974 C CG . GLN A 1 125 ? -0.938 5.139 -13.887 1.00 82.48 125 A 1 ATOM 975 C CD . GLN A 1 125 ? -1.428 4.252 -15.031 1.00 77.75 125 A 1 ATOM 976 O OE1 . GLN A 1 125 ? -1.684 3.064 -14.900 1.00 71.88 125 A 1 ATOM 977 N NE2 . GLN A 1 125 ? -1.577 4.801 -16.217 1.00 67.29 125 A 1 ATOM 978 N N . GLN A 1 126 ? -0.687 3.762 -9.487 1.00 96.19 126 A 1 ATOM 979 C CA . GLN A 1 126 ? -1.145 3.297 -8.175 1.00 96.11 126 A 1 ATOM 980 C C . GLN A 1 126 ? -0.752 4.268 -7.054 1.00 96.64 126 A 1 ATOM 981 O O . GLN A 1 126 ? -1.563 4.543 -6.171 1.00 96.38 126 A 1 ATOM 982 C CB . GLN A 1 126 ? -0.590 1.886 -7.897 1.00 95.55 126 A 1 ATOM 983 C CG . GLN A 1 126 ? -1.222 0.800 -8.792 1.00 90.86 126 A 1 ATOM 984 C CD . GLN A 1 126 ? -2.709 0.579 -8.529 1.00 86.91 126 A 1 ATOM 985 O OE1 . GLN A 1 126 ? -3.259 0.950 -7.512 1.00 78.24 126 A 1 ATOM 986 N NE2 . GLN A 1 126 ? -3.427 -0.052 -9.432 1.00 73.96 126 A 1 ATOM 987 N N . TYR A 1 127 ? 0.447 4.845 -7.127 1.00 96.15 127 A 1 ATOM 988 C CA . TYR A 1 127 ? 0.875 5.909 -6.219 1.00 96.40 127 A 1 ATOM 989 C C . TYR A 1 127 ? -0.075 7.111 -6.287 1.00 96.55 127 A 1 ATOM 990 O O . TYR A 1 127 ? -0.559 7.567 -5.254 1.00 96.46 127 A 1 ATOM 991 C CB . TYR A 1 127 ? 2.320 6.316 -6.546 1.00 96.26 127 A 1 ATOM 992 C CG . TYR A 1 127 ? 2.846 7.441 -5.678 1.00 96.18 127 A 1 ATOM 993 C CD1 . TYR A 1 127 ? 2.562 8.785 -5.999 1.00 94.82 127 A 1 ATOM 994 C CD2 . TYR A 1 127 ? 3.605 7.141 -4.530 1.00 94.99 127 A 1 ATOM 995 C CE1 . TYR A 1 127 ? 3.022 9.823 -5.169 1.00 94.22 127 A 1 ATOM 996 C CE2 . TYR A 1 127 ? 4.072 8.177 -3.701 1.00 94.05 127 A 1 ATOM 997 C CZ . TYR A 1 127 ? 3.776 9.520 -4.016 1.00 94.17 127 A 1 ATOM 998 O OH . TYR A 1 127 ? 4.218 10.517 -3.203 1.00 92.78 127 A 1 ATOM 999 N N . HIS A 1 128 ? -0.411 7.590 -7.481 1.00 97.11 128 A 1 ATOM 1000 C CA . HIS A 1 128 ? -1.327 8.723 -7.645 1.00 96.87 128 A 1 ATOM 1001 C C . HIS A 1 128 ? -2.759 8.416 -7.188 1.00 96.83 128 A 1 ATOM 1002 O O . HIS A 1 128 ? -3.403 9.282 -6.599 1.00 96.48 128 A 1 ATOM 1003 C CB . HIS A 1 128 ? -1.309 9.197 -9.102 1.00 96.24 128 A 1 ATOM 1004 C CG . HIS A 1 128 ? -0.008 9.861 -9.487 1.00 93.36 128 A 1 ATOM 1005 N ND1 . HIS A 1 128 ? 0.568 10.940 -8.856 1.00 82.85 128 A 1 ATOM 1006 C CD2 . HIS A 1 128 ? 0.819 9.512 -10.521 1.00 82.51 128 A 1 ATOM 1007 C CE1 . HIS A 1 128 ? 1.715 11.230 -9.491 1.00 83.87 128 A 1 ATOM 1008 N NE2 . HIS A 1 128 ? 1.909 10.391 -10.517 1.00 85.31 128 A 1 ATOM 1009 N N . HIS A 1 129 ? -3.253 7.194 -7.393 1.00 96.67 129 A 1 ATOM 1010 C CA . HIS A 1 129 ? -4.557 6.780 -6.862 1.00 96.50 129 A 1 ATOM 1011 C C . HIS A 1 129 ? -4.584 6.814 -5.330 1.00 96.63 129 A 1 ATOM 1012 O O . HIS A 1 129 ? -5.542 7.321 -4.740 1.00 96.14 129 A 1 ATOM 1013 C CB . HIS A 1 129 ? -4.902 5.366 -7.356 1.00 96.27 129 A 1 ATOM 1014 C CG . HIS A 1 129 ? -5.203 5.252 -8.830 1.00 95.39 129 A 1 ATOM 1015 N ND1 . HIS A 1 129 ? -5.265 4.063 -9.531 1.00 83.51 129 A 1 ATOM 1016 C CD2 . HIS A 1 129 ? -5.521 6.248 -9.718 1.00 83.74 129 A 1 ATOM 1017 C CE1 . HIS A 1 129 ? -5.605 4.345 -10.799 1.00 85.29 129 A 1 ATOM 1018 N NE2 . HIS A 1 129 ? -5.771 5.664 -10.962 1.00 88.24 129 A 1 ATOM 1019 N N . LEU A 1 130 ? -3.534 6.309 -4.692 1.00 96.22 130 A 1 ATOM 1020 C CA . LEU A 1 130 ? -3.420 6.328 -3.235 1.00 96.46 130 A 1 ATOM 1021 C C . LEU A 1 130 ? -3.207 7.753 -2.701 1.00 96.42 130 A 1 ATOM 1022 O O . LEU A 1 130 ? -3.834 8.129 -1.715 1.00 96.15 130 A 1 ATOM 1023 C CB . LEU A 1 130 ? -2.304 5.357 -2.820 1.00 96.79 130 A 1 ATOM 1024 C CG . LEU A 1 130 ? -2.136 5.214 -1.296 1.00 96.06 130 A 1 ATOM 1025 C CD1 . LEU A 1 130 ? -3.423 4.811 -0.580 1.00 94.38 130 A 1 ATOM 1026 C CD2 . LEU A 1 130 ? -1.080 4.144 -1.017 1.00 94.93 130 A 1 ATOM 1027 N N . ALA A 1 131 ? -2.404 8.568 -3.378 1.00 96.83 131 A 1 ATOM 1028 C CA . ALA A 1 131 ? -2.216 9.978 -3.041 1.00 96.45 131 A 1 ATOM 1029 C C . ALA A 1 131 ? -3.542 10.755 -3.098 1.00 96.38 131 A 1 ATOM 1030 O O . ALA A 1 131 ? -3.863 11.492 -2.171 1.00 95.99 131 A 1 ATOM 1031 C CB . ALA A 1 131 ? -1.162 10.578 -3.980 1.00 96.00 131 A 1 ATOM 1032 N N . ALA A 1 132 ? -4.367 10.532 -4.120 1.00 96.76 132 A 1 ATOM 1033 C CA . ALA A 1 132 ? -5.687 11.159 -4.216 1.00 96.35 132 A 1 ATOM 1034 C C . ALA A 1 132 ? -6.626 10.770 -3.053 1.00 95.93 132 A 1 ATOM 1035 O O . ALA A 1 132 ? -7.439 11.584 -2.622 1.00 94.88 132 A 1 ATOM 1036 C CB . ALA A 1 132 ? -6.300 10.789 -5.574 1.00 96.04 132 A 1 ATOM 1037 N N . TYR A 1 133 ? -6.509 9.548 -2.537 1.00 96.17 133 A 1 ATOM 1038 C CA . TYR A 1 133 ? -7.223 9.124 -1.331 1.00 96.02 133 A 1 ATOM 1039 C C . TYR A 1 133 ? -6.665 9.800 -0.072 1.00 96.11 133 A 1 ATOM 1040 O O . TYR A 1 133 ? -7.435 10.307 0.742 1.00 95.25 133 A 1 ATOM 1041 C CB . TYR A 1 133 ? -7.172 7.593 -1.227 1.00 95.93 133 A 1 ATOM 1042 C CG . TYR A 1 133 ? -7.770 7.042 0.053 1.00 96.04 133 A 1 ATOM 1043 C CD1 . TYR A 1 133 ? -6.936 6.478 1.039 1.00 93.55 133 A 1 ATOM 1044 C CD2 . TYR A 1 133 ? -9.159 7.119 0.271 1.00 94.34 133 A 1 ATOM 1045 C CE1 . TYR A 1 133 ? -7.491 5.981 2.235 1.00 92.97 133 A 1 ATOM 1046 C CE2 . TYR A 1 133 ? -9.718 6.629 1.465 1.00 93.35 133 A 1 ATOM 1047 C CZ . TYR A 1 133 ? -8.884 6.057 2.448 1.00 94.19 133 A 1 ATOM 1048 O OH . TYR A 1 133 ? -9.424 5.580 3.604 1.00 92.92 133 A 1 ATOM 1049 N N . SER A 1 134 ? -5.338 9.868 0.071 1.00 95.99 134 A 1 ATOM 1050 C CA . SER A 1 134 ? -4.676 10.408 1.262 1.00 95.58 134 A 1 ATOM 1051 C C . SER A 1 134 ? -4.914 11.905 1.485 1.00 95.34 134 A 1 ATOM 1052 O O . SER A 1 134 ? -4.932 12.340 2.630 1.00 94.49 134 A 1 ATOM 1053 C CB . SER A 1 134 ? -3.174 10.107 1.232 1.00 95.28 134 A 1 ATOM 1054 O OG . SER A 1 134 ? -2.508 10.858 0.241 1.00 89.59 134 A 1 ATOM 1055 N N . VAL A 1 135 ? -5.181 12.690 0.433 1.00 96.07 135 A 1 ATOM 1056 C CA . VAL A 1 135 ? -5.526 14.127 0.544 1.00 95.33 135 A 1 ATOM 1057 C C . VAL A 1 135 ? -6.747 14.355 1.440 1.00 95.21 135 A 1 ATOM 1058 O O . VAL A 1 135 ? -6.820 15.359 2.148 1.00 93.31 135 A 1 ATOM 1059 C CB . VAL A 1 135 ? -5.790 14.734 -0.849 1.00 93.76 135 A 1 ATOM 1060 C CG1 . VAL A 1 135 ? -6.318 16.181 -0.796 1.00 85.13 135 A 1 ATOM 1061 C CG2 . VAL A 1 135 ? -4.520 14.786 -1.701 1.00 85.89 135 A 1 ATOM 1062 N N . LYS A 1 136 ? -7.713 13.435 1.423 1.00 94.59 136 A 1 ATOM 1063 C CA . LYS A 1 136 ? -8.953 13.535 2.210 1.00 93.14 136 A 1 ATOM 1064 C C . LYS A 1 136 ? -8.873 12.823 3.565 1.00 93.81 136 A 1 ATOM 1065 O O . LYS A 1 136 ? -9.856 12.807 4.297 1.00 92.15 136 A 1 ATOM 1066 C CB . LYS A 1 136 ? -10.149 13.053 1.369 1.00 91.94 136 A 1 ATOM 1067 C CG . LYS A 1 136 ? -10.350 13.941 0.125 1.00 87.17 136 A 1 ATOM 1068 C CD . LYS A 1 136 ? -11.671 13.640 -0.595 1.00 78.62 136 A 1 ATOM 1069 C CE . LYS A 1 136 ? -11.812 14.637 -1.759 1.00 73.63 136 A 1 ATOM 1070 N NZ . LYS A 1 136 ? -13.136 14.601 -2.420 1.00 63.83 136 A 1 ATOM 1071 N N . HIS A 1 137 ? -7.737 12.227 3.891 1.00 94.34 137 A 1 ATOM 1072 C CA . HIS A 1 137 ? -7.531 11.554 5.169 1.00 94.41 137 A 1 ATOM 1073 C C . HIS A 1 137 ? -7.423 12.575 6.311 1.00 94.44 137 A 1 ATOM 1074 O O . HIS A 1 137 ? -6.850 13.651 6.136 1.00 93.85 137 A 1 ATOM 1075 C CB . HIS A 1 137 ? -6.285 10.665 5.078 1.00 94.28 137 A 1 ATOM 1076 C CG . HIS A 1 137 ? -6.211 9.664 6.202 1.00 94.10 137 A 1 ATOM 1077 N ND1 . HIS A 1 137 ? -5.564 9.814 7.408 1.00 87.15 137 A 1 ATOM 1078 C CD2 . HIS A 1 137 ? -6.830 8.445 6.227 1.00 88.44 137 A 1 ATOM 1079 C CE1 . HIS A 1 137 ? -5.797 8.710 8.145 1.00 89.22 137 A 1 ATOM 1080 N NE2 . HIS A 1 137 ? -6.565 7.854 7.458 1.00 90.30 137 A 1 ATOM 1081 N N . ALA A 1 138 ? -7.933 12.229 7.499 1.00 94.10 138 A 1 ATOM 1082 C CA . ALA A 1 138 ? -7.867 13.115 8.672 1.00 94.06 138 A 1 ATOM 1083 C C . ALA A 1 138 ? -6.422 13.500 9.041 1.00 94.50 138 A 1 ATOM 1084 O O . ALA A 1 138 ? -6.166 14.613 9.491 1.00 92.86 138 A 1 ATOM 1085 C CB . ALA A 1 138 ? -8.569 12.406 9.836 1.00 93.06 138 A 1 ATOM 1086 N N . GLU A 1 139 ? -5.481 12.608 8.778 1.00 92.84 139 A 1 ATOM 1087 C CA . GLU A 1 139 ? -4.049 12.792 9.042 1.00 93.44 139 A 1 ATOM 1088 C C . GLU A 1 139 ? -3.244 13.154 7.779 1.00 94.21 139 A 1 ATOM 1089 O O . GLU A 1 139 ? -2.032 12.945 7.740 1.00 93.75 139 A 1 ATOM 1090 C CB . GLU A 1 139 ? -3.491 11.539 9.724 1.00 92.81 139 A 1 ATOM 1091 C CG . GLU A 1 139 ? -4.162 11.252 11.070 1.00 91.60 139 A 1 ATOM 1092 C CD . GLU A 1 139 ? -3.685 9.901 11.588 1.00 90.96 139 A 1 ATOM 1093 O OE1 . GLU A 1 139 ? -2.749 9.858 12.407 1.00 84.31 139 A 1 ATOM 1094 O OE2 . GLU A 1 139 ? -4.245 8.886 11.115 1.00 85.23 139 A 1 ATOM 1095 N N . SER A 1 140 ? -3.885 13.714 6.750 1.00 93.57 140 A 1 ATOM 1096 C CA . SER A 1 140 ? -3.239 14.060 5.472 1.00 93.92 140 A 1 ATOM 1097 C C . SER A 1 140 ? -1.921 14.826 5.640 1.00 94.04 140 A 1 ATOM 1098 O O . SER A 1 140 ? -0.917 14.449 5.041 1.00 93.77 140 A 1 ATOM 1099 C CB . SER A 1 140 ? -4.198 14.867 4.589 1.00 94.07 140 A 1 ATOM 1100 O OG . SER A 1 140 ? -4.743 15.965 5.300 1.00 88.56 140 A 1 ATOM 1101 N N . ILE A 1 141 ? -1.879 15.829 6.514 1.00 92.34 141 A 1 ATOM 1102 C CA . ILE A 1 141 ? -0.666 16.623 6.778 1.00 92.12 141 A 1 ATOM 1103 C C . ILE A 1 141 ? 0.489 15.735 7.272 1.00 92.37 141 A 1 ATOM 1104 O O . ILE A 1 141 ? 1.618 15.866 6.798 1.00 92.04 141 A 1 ATOM 1105 C CB . ILE A 1 141 ? -0.977 17.755 7.790 1.00 92.32 141 A 1 ATOM 1106 C CG1 . ILE A 1 141 ? -2.017 18.736 7.194 1.00 89.54 141 A 1 ATOM 1107 C CG2 . ILE A 1 141 ? 0.308 18.508 8.193 1.00 88.54 141 A 1 ATOM 1108 C CD1 . ILE A 1 141 ? -2.520 19.799 8.179 1.00 79.24 141 A 1 ATOM 1109 N N . ASN A 1 142 ? 0.212 14.827 8.206 1.00 92.23 142 A 1 ATOM 1110 C CA . ASN A 1 142 ? 1.234 13.942 8.770 1.00 91.64 142 A 1 ATOM 1111 C C . ASN A 1 142 ? 1.664 12.862 7.768 1.00 92.59 142 A 1 ATOM 1112 O O . ASN A 1 142 ? 2.844 12.528 7.704 1.00 92.13 142 A 1 ATOM 1113 C CB . ASN A 1 142 ? 0.703 13.331 10.073 1.00 90.60 142 A 1 ATOM 1114 C CG . ASN A 1 142 ? 0.498 14.346 11.188 1.00 88.57 142 A 1 ATOM 1115 O OD1 . ASN A 1 142 ? 1.033 15.447 11.190 1.00 81.60 142 A 1 ATOM 1116 N ND2 . ASN A 1 142 ? -0.296 14.000 12.178 1.00 80.10 142 A 1 ATOM 1117 N N . ILE A 1 143 ? 0.736 12.370 6.942 1.00 92.35 143 A 1 ATOM 1118 C CA . ILE A 1 143 ? 1.037 11.453 5.835 1.00 93.25 143 A 1 ATOM 1119 C C . ILE A 1 143 ? 2.036 12.100 4.868 1.00 93.20 143 A 1 ATOM 1120 O O . ILE A 1 143 ? 3.054 11.488 4.551 1.00 92.07 143 A 1 ATOM 1121 C CB . ILE A 1 143 ? -0.268 11.018 5.124 1.00 94.27 143 A 1 ATOM 1122 C CG1 . ILE A 1 143 ? -1.093 10.083 6.042 1.00 93.73 143 A 1 ATOM 1123 C CG2 . ILE A 1 143 ? 0.015 10.321 3.779 1.00 93.45 143 A 1 ATOM 1124 C CD1 . ILE A 1 143 ? -2.535 9.854 5.564 1.00 92.22 143 A 1 ATOM 1125 N N . TYR A 1 144 ? 1.789 13.340 4.427 1.00 94.60 144 A 1 ATOM 1126 C CA . TYR A 1 144 ? 2.706 14.025 3.504 1.00 93.96 144 A 1 ATOM 1127 C C . TYR A 1 144 ? 4.073 14.302 4.132 1.00 94.10 144 A 1 ATOM 1128 O O . TYR A 1 144 ? 5.088 13.987 3.513 1.00 92.87 144 A 1 ATOM 1129 C CB . TYR A 1 144 ? 2.054 15.300 2.951 1.00 92.61 144 A 1 ATOM 1130 C CG . TYR A 1 144 ? 1.067 15.008 1.832 1.00 85.01 144 A 1 ATOM 1131 C CD1 . TYR A 1 144 ? 1.548 14.547 0.592 1.00 77.01 144 A 1 ATOM 1132 C CD2 . TYR A 1 144 ? -0.319 15.146 2.035 1.00 77.07 144 A 1 ATOM 1133 C CE1 . TYR A 1 144 ? 0.650 14.186 -0.427 1.00 69.68 144 A 1 ATOM 1134 C CE2 . TYR A 1 144 ? -1.224 14.784 1.016 1.00 70.40 144 A 1 ATOM 1135 C CZ . TYR A 1 144 ? -0.737 14.290 -0.212 1.00 69.19 144 A 1 ATOM 1136 O OH . TYR A 1 144 ? -1.595 13.893 -1.181 1.00 66.33 144 A 1 ATOM 1137 N N . ARG A 1 145 ? 4.114 14.761 5.386 1.00 92.08 145 A 1 ATOM 1138 C CA . ARG A 1 145 ? 5.383 14.954 6.116 1.00 91.67 145 A 1 ATOM 1139 C C . ARG A 1 145 ? 6.220 13.683 6.242 1.00 92.03 145 A 1 ATOM 1140 O O . ARG A 1 145 ? 7.437 13.772 6.299 1.00 90.88 145 A 1 ATOM 1141 C CB . ARG A 1 145 ? 5.092 15.468 7.532 1.00 91.75 145 A 1 ATOM 1142 C CG . ARG A 1 145 ? 4.710 16.949 7.547 1.00 83.84 145 A 1 ATOM 1143 C CD . ARG A 1 145 ? 4.376 17.332 8.991 1.00 81.71 145 A 1 ATOM 1144 N NE . ARG A 1 145 ? 4.024 18.757 9.109 1.00 72.12 145 A 1 ATOM 1145 C CZ . ARG A 1 145 ? 3.537 19.339 10.188 1.00 65.60 145 A 1 ATOM 1146 N NH1 . ARG A 1 145 ? 3.313 18.672 11.289 1.00 60.36 145 A 1 ATOM 1147 N NH2 . ARG A 1 145 ? 3.267 20.616 10.179 1.00 56.44 145 A 1 ATOM 1148 N N . ALA A 1 146 ? 5.593 12.517 6.319 1.00 90.45 146 A 1 ATOM 1149 C CA . ALA A 1 146 ? 6.303 11.242 6.439 1.00 89.17 146 A 1 ATOM 1150 C C . ALA A 1 146 ? 6.843 10.703 5.096 1.00 89.11 146 A 1 ATOM 1151 O O . ALA A 1 146 ? 7.612 9.737 5.084 1.00 87.52 146 A 1 ATOM 1152 C CB . ALA A 1 146 ? 5.357 10.252 7.126 1.00 89.05 146 A 1 ATOM 1153 N N . ILE A 1 147 ? 6.423 11.286 3.967 1.00 90.57 147 A 1 ATOM 1154 C CA . ILE A 1 147 ? 6.841 10.883 2.613 1.00 88.80 147 A 1 ATOM 1155 C C . ILE A 1 147 ? 7.979 11.770 2.076 1.00 85.92 147 A 1 ATOM 1156 O O . ILE A 1 147 ? 8.762 11.295 1.240 1.00 79.35 147 A 1 ATOM 1157 C CB . ILE A 1 147 ? 5.610 10.887 1.677 1.00 88.34 147 A 1 ATOM 1158 C CG1 . ILE A 1 147 ? 4.580 9.821 2.121 1.00 80.88 147 A 1 ATOM 1159 C CG2 . ILE A 1 147 ? 5.987 10.616 0.205 1.00 78.30 147 A 1 ATOM 1160 C CD1 . ILE A 1 147 ? 3.188 10.058 1.521 1.00 75.24 147 A 1 ATOM 1161 N N . ASP A 1 148 ? 8.063 13.030 2.548 1.00 89.77 148 A 1 ATOM 1162 C CA . ASP A 1 148 ? 9.140 13.984 2.226 1.00 86.10 148 A 1 ATOM 1163 C C . ASP A 1 148 ? 10.490 13.530 2.830 1.00 79.88 148 A 1 ATOM 1164 O O . ASP A 1 148 ? 11.509 13.632 2.104 1.00 72.11 148 A 1 ATOM 1165 C CB . ASP A 1 148 ? 8.745 15.398 2.718 1.00 79.85 148 A 1 ATOM 1166 C CG . ASP A 1 148 ? 7.646 16.114 1.912 1.00 71.75 148 A 1 ATOM 1167 O OD1 . ASP A 1 148 ? 7.454 15.793 0.714 1.00 67.41 148 A 1 ATOM 1168 O OD2 . ASP A 1 148 ? 7.016 17.043 2.487 1.00 67.17 148 A 1 ATOM 1169 O OXT . ASP A 1 148 ? 10.491 13.114 4.001 1.00 63.73 148 A 1 #