# 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_acrib2 # _entry.id acrib2 # 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 GLN 4 1 n LYS 5 1 n ALA 6 1 n ARG 7 1 n ARG 8 1 n PHE 9 1 n LEU 10 1 n ARG 11 1 n VAL 12 1 n ILE 13 1 n ASP 14 1 n MET 15 1 n ASN 16 1 n ILE 17 1 n ASP 18 1 n LYS 19 1 n ILE 20 1 n GLU 21 1 n GLU 22 1 n GLU 23 1 n ALA 24 1 n ILE 25 1 n LYS 26 1 n ALA 27 1 n PHE 28 1 n LYS 29 1 n GLU 30 1 n SER 31 1 n CYS 32 1 n LEU 33 1 n ILE 34 1 n LYS 35 1 n GLU 36 1 n THR 37 1 n ASN 38 1 n ASN 39 1 n ILE 40 1 n LYS 41 1 n ILE 42 1 n TYR 43 1 n ILE 44 1 n ASP 45 1 n ILE 46 1 n GLN 47 1 n GLY 48 1 n LYS 49 1 n VAL 50 1 n GLU 51 1 n ALA 52 1 n ILE 53 1 n ALA 54 1 n VAL 55 1 n GLN 56 1 n THR 57 1 n TRP 58 1 n ALA 59 1 n LYS 60 1 n LEU 61 1 n LEU 62 1 n GLY 63 1 n ASP 64 1 n ASP 65 1 n LYS 66 1 n GLU 67 1 n ILE 68 1 n ASN 69 1 n ILE 70 1 n PHE 71 1 n THR 72 1 n LEU 73 1 n ASN 74 1 n GLN 75 1 n ALA 76 1 n PRO 77 1 n THR 78 1 n HIS 79 1 n LEU 80 1 n ASN 81 1 n ASP 82 1 n MET 83 1 n LEU 84 1 n GLY 85 1 n GLU 86 1 n ILE 87 1 n CYS 88 1 n TYR 89 1 n VAL 90 1 n ASN 91 1 n ASP 92 1 n TYR 93 1 n GLU 94 1 n GLU 95 1 n PHE 96 1 n GLU 97 1 n ASN 98 1 n TRP 99 1 n CYS 100 1 n GLU 101 1 n ASN 102 1 n GLU 103 1 n TRP 104 1 n GLU 105 1 n ASN 106 1 n LEU 107 1 n ASP 108 1 n TRP 109 1 n ASP 110 1 n SER 111 1 n TYR 112 1 n LYS 113 1 n LYS 114 1 n PHE 115 1 n ASN 116 1 n LYS 117 1 n GLU 118 1 n ASN 119 1 n PHE 120 1 n GLU 121 1 n GLU 122 1 n ILE 123 1 n ALA 124 1 n GLU 125 1 n ARG 126 1 n ASN 127 1 n ILE 128 1 n ASP 129 1 n ASP 130 1 n SER 131 1 n THR 132 1 n SER 133 1 n VAL 134 1 n PHE 135 1 n LEU 136 1 n GLU 137 1 n GLU 138 1 n LEU 139 1 n GLN 140 1 n LYS 141 1 n GLY 142 1 n ILE 143 1 n GLU 144 1 n SER 145 1 n CYS 146 1 n LYS 147 1 n GLN 148 1 n GLU 149 1 n LEU 150 1 n GLN 151 1 n ASN 152 1 n VAL 153 1 n ILE 154 1 n GLU 155 1 n ASN 156 # _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 19:34:41)" _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 70.69 _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 80.07 1 1 A ASN 2 2 83.91 1 2 A LYS 3 2 88.15 1 3 A GLN 4 2 83.46 1 4 A LYS 5 2 81.56 1 5 A ALA 6 2 89.89 1 6 A ARG 7 2 83.93 1 7 A ARG 8 2 77.09 1 8 A PHE 9 2 86.48 1 9 A LEU 10 2 89.41 1 10 A ARG 11 2 78.25 1 11 A VAL 12 2 90.89 1 12 A ILE 13 2 92.39 1 13 A ASP 14 2 92.93 1 14 A MET 15 2 88.45 1 15 A ASN 16 2 91.66 1 16 A ILE 17 2 91.59 1 17 A ASP 18 2 93.09 1 18 A LYS 19 2 86.30 1 19 A ILE 20 2 92.67 1 20 A GLU 21 2 89.75 1 21 A GLU 22 2 86.45 1 22 A GLU 23 2 88.57 1 23 A ALA 24 2 90.58 1 24 A ILE 25 2 86.74 1 25 A LYS 26 2 81.82 1 26 A ALA 27 2 85.89 1 27 A PHE 28 2 79.85 1 28 A LYS 29 2 77.38 1 29 A GLU 30 2 74.73 1 30 A SER 31 2 74.98 1 31 A CYS 32 2 71.97 1 32 A LEU 33 2 66.94 1 33 A ILE 34 2 61.72 1 34 A LYS 35 2 53.67 1 35 A GLU 36 2 55.61 1 36 A THR 37 2 57.14 1 37 A ASN 38 2 64.22 1 38 A ASN 39 2 73.78 1 39 A ILE 40 2 81.21 1 40 A LYS 41 2 78.27 1 41 A ILE 42 2 83.74 1 42 A TYR 43 2 77.62 1 43 A ILE 44 2 84.08 1 44 A ASP 45 2 83.36 1 45 A ILE 46 2 80.16 1 46 A GLN 47 2 77.60 1 47 A GLY 48 2 85.60 1 48 A LYS 49 2 78.25 1 49 A VAL 50 2 79.69 1 50 A GLU 51 2 76.33 1 51 A ALA 52 2 82.08 1 52 A ILE 53 2 77.25 1 53 A ALA 54 2 77.72 1 54 A VAL 55 2 71.50 1 55 A GLN 56 2 60.29 1 56 A THR 57 2 55.65 1 57 A TRP 58 2 43.34 1 58 A ALA 59 2 50.48 1 59 A LYS 60 2 38.81 1 60 A LEU 61 2 43.06 1 61 A LEU 62 2 39.96 1 62 A GLY 63 2 52.93 1 63 A ASP 64 2 51.68 1 64 A ASP 65 2 56.49 1 65 A LYS 66 2 63.44 1 66 A GLU 67 2 67.50 1 67 A ILE 68 2 76.52 1 68 A ASN 69 2 74.59 1 69 A ILE 70 2 75.50 1 70 A PHE 71 2 72.67 1 71 A THR 72 2 75.27 1 72 A LEU 73 2 74.07 1 73 A ASN 74 2 64.50 1 74 A GLN 75 2 55.72 1 75 A ALA 76 2 48.30 1 76 A PRO 77 2 44.99 1 77 A THR 78 2 44.56 1 78 A HIS 79 2 38.67 1 79 A LEU 80 2 46.34 1 80 A ASN 81 2 46.67 1 81 A ASP 82 2 47.64 1 82 A MET 83 2 43.23 1 83 A LEU 84 2 47.52 1 84 A GLY 85 2 52.42 1 85 A GLU 86 2 46.04 1 86 A ILE 87 2 50.92 1 87 A CYS 88 2 51.22 1 88 A TYR 89 2 45.63 1 89 A VAL 90 2 57.52 1 90 A ASN 91 2 56.02 1 91 A ASP 92 2 62.65 1 92 A TYR 93 2 69.12 1 93 A GLU 94 2 67.76 1 94 A GLU 95 2 65.20 1 95 A PHE 96 2 68.93 1 96 A GLU 97 2 69.75 1 97 A ASN 98 2 69.67 1 98 A TRP 99 2 63.07 1 99 A CYS 100 2 67.86 1 100 A GLU 101 2 66.38 1 101 A ASN 102 2 65.74 1 102 A GLU 103 2 60.61 1 103 A TRP 104 2 51.11 1 104 A GLU 105 2 57.88 1 105 A ASN 106 2 58.80 1 106 A LEU 107 2 59.20 1 107 A ASP 108 2 56.63 1 108 A TRP 109 2 50.00 1 109 A ASP 110 2 57.10 1 110 A SER 111 2 59.38 1 111 A TYR 112 2 57.02 1 112 A LYS 113 2 58.66 1 113 A LYS 114 2 60.78 1 114 A PHE 115 2 63.95 1 115 A ASN 116 2 66.78 1 116 A LYS 117 2 66.27 1 117 A GLU 118 2 66.56 1 118 A ASN 119 2 68.24 1 119 A PHE 120 2 67.18 1 120 A GLU 121 2 64.88 1 121 A GLU 122 2 66.93 1 122 A ILE 123 2 64.42 1 123 A ALA 124 2 70.57 1 124 A GLU 125 2 67.36 1 125 A ARG 126 2 60.71 1 126 A ASN 127 2 62.14 1 127 A ILE 128 2 71.07 1 128 A ASP 129 2 72.27 1 129 A ASP 130 2 67.92 1 130 A SER 131 2 72.12 1 131 A THR 132 2 80.15 1 132 A SER 133 2 78.64 1 133 A VAL 134 2 75.84 1 134 A PHE 135 2 83.21 1 135 A LEU 136 2 86.45 1 136 A GLU 137 2 81.05 1 137 A GLU 138 2 78.63 1 138 A LEU 139 2 88.78 1 139 A GLN 140 2 83.83 1 140 A LYS 141 2 84.63 1 141 A GLY 142 2 90.12 1 142 A ILE 143 2 90.41 1 143 A GLU 144 2 83.54 1 144 A SER 145 2 87.44 1 145 A CYS 146 2 89.01 1 146 A LYS 147 2 89.52 1 147 A GLN 148 2 83.71 1 148 A GLU 149 2 82.12 1 149 A LEU 150 2 88.82 1 150 A GLN 151 2 85.18 1 151 A ASN 152 2 87.30 1 152 A VAL 153 2 87.56 1 153 A ILE 154 2 90.97 1 154 A GLU 155 2 87.54 1 155 A ASN 156 2 84.59 1 156 # _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 GLN . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n ARG . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ARG . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n ASP . 14 A 14 A 15 1 n MET . 15 A 15 A 16 1 n ASN . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n ASP . 18 A 18 A 19 1 n LYS . 19 A 19 A 20 1 n ILE . 20 A 20 A 21 1 n GLU . 21 A 21 A 22 1 n GLU . 22 A 22 A 23 1 n GLU . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n ILE . 25 A 25 A 26 1 n LYS . 26 A 26 A 27 1 n ALA . 27 A 27 A 28 1 n PHE . 28 A 28 A 29 1 n LYS . 29 A 29 A 30 1 n GLU . 30 A 30 A 31 1 n SER . 31 A 31 A 32 1 n CYS . 32 A 32 A 33 1 n LEU . 33 A 33 A 34 1 n ILE . 34 A 34 A 35 1 n LYS . 35 A 35 A 36 1 n GLU . 36 A 36 A 37 1 n THR . 37 A 37 A 38 1 n ASN . 38 A 38 A 39 1 n ASN . 39 A 39 A 40 1 n ILE . 40 A 40 A 41 1 n LYS . 41 A 41 A 42 1 n ILE . 42 A 42 A 43 1 n TYR . 43 A 43 A 44 1 n ILE . 44 A 44 A 45 1 n ASP . 45 A 45 A 46 1 n ILE . 46 A 46 A 47 1 n GLN . 47 A 47 A 48 1 n GLY . 48 A 48 A 49 1 n LYS . 49 A 49 A 50 1 n VAL . 50 A 50 A 51 1 n GLU . 51 A 51 A 52 1 n ALA . 52 A 52 A 53 1 n ILE . 53 A 53 A 54 1 n ALA . 54 A 54 A 55 1 n VAL . 55 A 55 A 56 1 n GLN . 56 A 56 A 57 1 n THR . 57 A 57 A 58 1 n TRP . 58 A 58 A 59 1 n ALA . 59 A 59 A 60 1 n LYS . 60 A 60 A 61 1 n LEU . 61 A 61 A 62 1 n LEU . 62 A 62 A 63 1 n GLY . 63 A 63 A 64 1 n ASP . 64 A 64 A 65 1 n ASP . 65 A 65 A 66 1 n LYS . 66 A 66 A 67 1 n GLU . 67 A 67 A 68 1 n ILE . 68 A 68 A 69 1 n ASN . 69 A 69 A 70 1 n ILE . 70 A 70 A 71 1 n PHE . 71 A 71 A 72 1 n THR . 72 A 72 A 73 1 n LEU . 73 A 73 A 74 1 n ASN . 74 A 74 A 75 1 n GLN . 75 A 75 A 76 1 n ALA . 76 A 76 A 77 1 n PRO . 77 A 77 A 78 1 n THR . 78 A 78 A 79 1 n HIS . 79 A 79 A 80 1 n LEU . 80 A 80 A 81 1 n ASN . 81 A 81 A 82 1 n ASP . 82 A 82 A 83 1 n MET . 83 A 83 A 84 1 n LEU . 84 A 84 A 85 1 n GLY . 85 A 85 A 86 1 n GLU . 86 A 86 A 87 1 n ILE . 87 A 87 A 88 1 n CYS . 88 A 88 A 89 1 n TYR . 89 A 89 A 90 1 n VAL . 90 A 90 A 91 1 n ASN . 91 A 91 A 92 1 n ASP . 92 A 92 A 93 1 n TYR . 93 A 93 A 94 1 n GLU . 94 A 94 A 95 1 n GLU . 95 A 95 A 96 1 n PHE . 96 A 96 A 97 1 n GLU . 97 A 97 A 98 1 n ASN . 98 A 98 A 99 1 n TRP . 99 A 99 A 100 1 n CYS . 100 A 100 A 101 1 n GLU . 101 A 101 A 102 1 n ASN . 102 A 102 A 103 1 n GLU . 103 A 103 A 104 1 n TRP . 104 A 104 A 105 1 n GLU . 105 A 105 A 106 1 n ASN . 106 A 106 A 107 1 n LEU . 107 A 107 A 108 1 n ASP . 108 A 108 A 109 1 n TRP . 109 A 109 A 110 1 n ASP . 110 A 110 A 111 1 n SER . 111 A 111 A 112 1 n TYR . 112 A 112 A 113 1 n LYS . 113 A 113 A 114 1 n LYS . 114 A 114 A 115 1 n PHE . 115 A 115 A 116 1 n ASN . 116 A 116 A 117 1 n LYS . 117 A 117 A 118 1 n GLU . 118 A 118 A 119 1 n ASN . 119 A 119 A 120 1 n PHE . 120 A 120 A 121 1 n GLU . 121 A 121 A 122 1 n GLU . 122 A 122 A 123 1 n ILE . 123 A 123 A 124 1 n ALA . 124 A 124 A 125 1 n GLU . 125 A 125 A 126 1 n ARG . 126 A 126 A 127 1 n ASN . 127 A 127 A 128 1 n ILE . 128 A 128 A 129 1 n ASP . 129 A 129 A 130 1 n ASP . 130 A 130 A 131 1 n SER . 131 A 131 A 132 1 n THR . 132 A 132 A 133 1 n SER . 133 A 133 A 134 1 n VAL . 134 A 134 A 135 1 n PHE . 135 A 135 A 136 1 n LEU . 136 A 136 A 137 1 n GLU . 137 A 137 A 138 1 n GLU . 138 A 138 A 139 1 n LEU . 139 A 139 A 140 1 n GLN . 140 A 140 A 141 1 n LYS . 141 A 141 A 142 1 n GLY . 142 A 142 A 143 1 n ILE . 143 A 143 A 144 1 n GLU . 144 A 144 A 145 1 n SER . 145 A 145 A 146 1 n CYS . 146 A 146 A 147 1 n LYS . 147 A 147 A 148 1 n GLN . 148 A 148 A 149 1 n GLU . 149 A 149 A 150 1 n LEU . 150 A 150 A 151 1 n GLN . 151 A 151 A 152 1 n ASN . 152 A 152 A 153 1 n VAL . 153 A 153 A 154 1 n ILE . 154 A 154 A 155 1 n GLU . 155 A 155 A 156 1 n ASN . 156 A 156 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (fa08f1a239cfd4fd49a5c37bef32bd41139da97e359ba389d3209450484ef018)" # _struct_asym.entity_id 1 _struct_asym.id A # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? 5.457 24.546 2.202 1.00 76.43 1 A 1 ATOM 2 C CA . MET A 1 1 ? 6.478 24.452 1.119 1.00 84.64 1 A 1 ATOM 3 C C . MET A 1 1 ? 6.482 25.743 0.312 1.00 85.89 1 A 1 ATOM 4 O O . MET A 1 1 ? 5.433 26.348 0.165 1.00 82.80 1 A 1 ATOM 5 C CB . MET A 1 1 ? 6.154 23.229 0.252 1.00 80.95 1 A 1 ATOM 6 C CG . MET A 1 1 ? 7.120 23.036 -0.913 1.00 79.80 1 A 1 ATOM 7 S SD . MET A 1 1 ? 6.995 21.419 -1.702 1.00 78.45 1 A 1 ATOM 8 C CE . MET A 1 1 ? 5.206 21.264 -1.926 1.00 71.57 1 A 1 ATOM 9 N N . ASN A 1 2 ? 7.638 26.214 -0.218 1.00 84.28 2 A 1 ATOM 10 C CA . ASN A 1 2 ? 7.677 27.411 -1.073 1.00 87.42 2 A 1 ATOM 11 C C . ASN A 1 2 ? 7.429 27.067 -2.559 1.00 89.45 2 A 1 ATOM 12 O O . ASN A 1 2 ? 7.655 25.934 -2.990 1.00 89.63 2 A 1 ATOM 13 C CB . ASN A 1 2 ? 8.970 28.214 -0.811 1.00 84.47 2 A 1 ATOM 14 C CG . ASN A 1 2 ? 10.237 27.595 -1.371 1.00 82.99 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? 10.294 27.111 -2.484 1.00 76.21 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? 11.319 27.625 -0.632 1.00 76.85 2 A 1 ATOM 17 N N . LYS A 1 3 ? 7.023 28.069 -3.383 1.00 88.92 3 A 1 ATOM 18 C CA . LYS A 1 3 ? 6.682 27.902 -4.811 1.00 91.08 3 A 1 ATOM 19 C C . LYS A 1 3 ? 7.828 27.330 -5.658 1.00 91.73 3 A 1 ATOM 20 O O . LYS A 1 3 ? 7.605 26.541 -6.571 1.00 91.04 3 A 1 ATOM 21 C CB . LYS A 1 3 ? 6.230 29.250 -5.419 1.00 90.69 3 A 1 ATOM 22 C CG . LYS A 1 3 ? 5.019 29.872 -4.711 1.00 89.94 3 A 1 ATOM 23 C CD . LYS A 1 3 ? 4.410 31.057 -5.488 1.00 87.76 3 A 1 ATOM 24 C CE . LYS A 1 3 ? 3.227 31.604 -4.681 1.00 84.77 3 A 1 ATOM 25 N NZ . LYS A 1 3 ? 2.256 32.412 -5.462 1.00 77.42 3 A 1 ATOM 26 N N . GLN A 1 4 ? 9.073 27.728 -5.379 1.00 91.53 4 A 1 ATOM 27 C CA . GLN A 1 4 ? 10.241 27.238 -6.114 1.00 92.03 4 A 1 ATOM 28 C C . GLN A 1 4 ? 10.462 25.744 -5.876 1.00 92.35 4 A 1 ATOM 29 O O . GLN A 1 4 ? 10.774 25.011 -6.814 1.00 92.02 4 A 1 ATOM 30 C CB . GLN A 1 4 ? 11.478 28.046 -5.705 1.00 91.80 4 A 1 ATOM 31 C CG . GLN A 1 4 ? 12.709 27.703 -6.561 1.00 81.68 4 A 1 ATOM 32 C CD . GLN A 1 4 ? 13.963 28.456 -6.120 1.00 76.07 4 A 1 ATOM 33 O OE1 . GLN A 1 4 ? 14.041 29.048 -5.061 1.00 68.92 4 A 1 ATOM 34 N NE2 . GLN A 1 4 ? 15.012 28.443 -6.910 1.00 64.74 4 A 1 ATOM 35 N N . LYS A 1 5 ? 10.295 25.284 -4.645 1.00 90.00 5 A 1 ATOM 36 C CA . LYS A 1 5 ? 10.423 23.882 -4.267 1.00 89.30 5 A 1 ATOM 37 C C . LYS A 1 5 ? 9.293 23.038 -4.864 1.00 90.34 5 A 1 ATOM 38 O O . LYS A 1 5 ? 9.585 21.996 -5.436 1.00 89.99 5 A 1 ATOM 39 C CB . LYS A 1 5 ? 10.498 23.805 -2.740 1.00 86.98 5 A 1 ATOM 40 C CG . LYS A 1 5 ? 10.900 22.416 -2.251 1.00 79.45 5 A 1 ATOM 41 C CD . LYS A 1 5 ? 11.057 22.418 -0.723 1.00 76.40 5 A 1 ATOM 42 C CE . LYS A 1 5 ? 11.427 21.023 -0.242 1.00 68.92 5 A 1 ATOM 43 N NZ . LYS A 1 5 ? 11.441 20.939 1.228 1.00 62.70 5 A 1 ATOM 44 N N . ALA A 1 6 ? 8.056 23.535 -4.854 1.00 88.77 6 A 1 ATOM 45 C CA . ALA A 1 6 ? 6.919 22.870 -5.497 1.00 89.60 6 A 1 ATOM 46 C C . ALA A 1 6 ? 7.160 22.639 -7.003 1.00 90.55 6 A 1 ATOM 47 O O . ALA A 1 6 ? 7.035 21.517 -7.485 1.00 90.60 6 A 1 ATOM 48 C CB . ALA A 1 6 ? 5.661 23.707 -5.237 1.00 89.92 6 A 1 ATOM 49 N N . ARG A 1 7 ? 7.639 23.660 -7.741 1.00 92.44 7 A 1 ATOM 50 C CA . ARG A 1 7 ? 8.021 23.523 -9.167 1.00 93.30 7 A 1 ATOM 51 C C . ARG A 1 7 ? 9.115 22.486 -9.414 1.00 93.60 7 A 1 ATOM 52 O O . ARG A 1 7 ? 9.136 21.870 -10.473 1.00 92.84 7 A 1 ATOM 53 C CB . ARG A 1 7 ? 8.517 24.865 -9.718 1.00 93.84 7 A 1 ATOM 54 C CG . ARG A 1 7 ? 7.385 25.868 -9.929 1.00 88.43 7 A 1 ATOM 55 C CD . ARG A 1 7 ? 7.963 27.196 -10.413 1.00 86.86 7 A 1 ATOM 56 N NE . ARG A 1 7 ? 6.904 28.216 -10.539 1.00 79.86 7 A 1 ATOM 57 C CZ . ARG A 1 7 ? 7.019 29.517 -10.357 1.00 72.91 7 A 1 ATOM 58 N NH1 . ARG A 1 7 ? 8.152 30.078 -10.041 1.00 65.04 7 A 1 ATOM 59 N NH2 . ARG A 1 7 ? 5.974 30.284 -10.482 1.00 64.11 7 A 1 ATOM 60 N N . ARG A 1 8 ? 10.078 22.351 -8.492 1.00 92.71 8 A 1 ATOM 61 C CA . ARG A 1 8 ? 11.134 21.341 -8.603 1.00 92.50 8 A 1 ATOM 62 C C . ARG A 1 8 ? 10.569 19.941 -8.410 1.00 93.12 8 A 1 ATOM 63 O O . ARG A 1 8 ? 10.875 19.093 -9.232 1.00 91.79 8 A 1 ATOM 64 C CB . ARG A 1 8 ? 12.273 21.617 -7.622 1.00 91.41 8 A 1 ATOM 65 C CG . ARG A 1 8 ? 13.145 22.802 -8.051 1.00 80.02 8 A 1 ATOM 66 C CD . ARG A 1 8 ? 14.219 23.045 -6.986 1.00 77.06 8 A 1 ATOM 67 N NE . ARG A 1 8 ? 15.113 24.165 -7.336 1.00 66.37 8 A 1 ATOM 68 C CZ . ARG A 1 8 ? 16.186 24.535 -6.658 1.00 60.05 8 A 1 ATOM 69 N NH1 . ARG A 1 8 ? 16.552 23.931 -5.561 1.00 54.34 8 A 1 ATOM 70 N NH2 . ARG A 1 8 ? 16.920 25.523 -7.075 1.00 48.58 8 A 1 ATOM 71 N N . PHE A 1 9 ? 9.731 19.724 -7.406 1.00 90.98 9 A 1 ATOM 72 C CA . PHE A 1 9 ? 9.103 18.426 -7.176 1.00 90.95 9 A 1 ATOM 73 C C . PHE A 1 9 ? 8.209 17.987 -8.337 1.00 92.30 9 A 1 ATOM 74 O O . PHE A 1 9 ? 8.353 16.853 -8.769 1.00 92.11 9 A 1 ATOM 75 C CB . PHE A 1 9 ? 8.331 18.425 -5.856 1.00 89.53 9 A 1 ATOM 76 C CG . PHE A 1 9 ? 9.206 18.159 -4.648 1.00 86.99 9 A 1 ATOM 77 C CD1 . PHE A 1 9 ? 9.879 16.929 -4.537 1.00 81.90 9 A 1 ATOM 78 C CD2 . PHE A 1 9 ? 9.314 19.110 -3.618 1.00 82.52 9 A 1 ATOM 79 C CE1 . PHE A 1 9 ? 10.657 16.650 -3.400 1.00 80.61 9 A 1 ATOM 80 C CE2 . PHE A 1 9 ? 10.090 18.828 -2.480 1.00 80.75 9 A 1 ATOM 81 C CZ . PHE A 1 9 ? 10.760 17.598 -2.369 1.00 82.67 9 A 1 ATOM 82 N N . LEU A 1 10 ? 7.407 18.884 -8.922 1.00 91.58 10 A 1 ATOM 83 C CA . LEU A 1 10 ? 6.629 18.560 -10.127 1.00 92.37 10 A 1 ATOM 84 C C . LEU A 1 10 ? 7.516 17.987 -11.238 1.00 93.49 10 A 1 ATOM 85 O O . LEU A 1 10 ? 7.247 16.911 -11.754 1.00 93.80 10 A 1 ATOM 86 C CB . LEU A 1 10 ? 5.895 19.811 -10.644 1.00 92.12 10 A 1 ATOM 87 C CG . LEU A 1 10 ? 4.632 20.183 -9.853 1.00 86.45 10 A 1 ATOM 88 C CD1 . LEU A 1 10 ? 4.103 21.525 -10.348 1.00 81.70 10 A 1 ATOM 89 C CD2 . LEU A 1 10 ? 3.527 19.147 -10.030 1.00 83.76 10 A 1 ATOM 90 N N . ARG A 1 11 ? 8.631 18.668 -11.561 1.00 93.38 11 A 1 ATOM 91 C CA . ARG A 1 11 ? 9.578 18.186 -12.581 1.00 94.19 11 A 1 ATOM 92 C C . ARG A 1 11 ? 10.218 16.855 -12.207 1.00 94.80 11 A 1 ATOM 93 O O . ARG A 1 11 ? 10.405 16.009 -13.070 1.00 93.32 11 A 1 ATOM 94 C CB . ARG A 1 11 ? 10.687 19.216 -12.813 1.00 94.16 11 A 1 ATOM 95 C CG . ARG A 1 11 ? 10.169 20.481 -13.490 1.00 82.01 11 A 1 ATOM 96 C CD . ARG A 1 11 ? 11.326 21.467 -13.617 1.00 79.13 11 A 1 ATOM 97 N NE . ARG A 1 11 ? 10.878 22.732 -14.215 1.00 67.28 11 A 1 ATOM 98 C CZ . ARG A 1 11 ? 11.642 23.772 -14.489 1.00 59.82 11 A 1 ATOM 99 N NH1 . ARG A 1 11 ? 12.921 23.773 -14.229 1.00 54.52 11 A 1 ATOM 100 N NH2 . ARG A 1 11 ? 11.126 24.837 -15.034 1.00 48.09 11 A 1 ATOM 101 N N . VAL A 1 12 ? 10.597 16.690 -10.939 1.00 92.36 12 A 1 ATOM 102 C CA . VAL A 1 12 ? 11.226 15.457 -10.455 1.00 92.69 12 A 1 ATOM 103 C C . VAL A 1 12 ? 10.253 14.285 -10.537 1.00 93.54 12 A 1 ATOM 104 O O . VAL A 1 12 ? 10.663 13.226 -10.996 1.00 92.92 12 A 1 ATOM 105 C CB . VAL A 1 12 ? 11.775 15.658 -9.035 1.00 92.15 12 A 1 ATOM 106 C CG1 . VAL A 1 12 ? 12.243 14.354 -8.392 1.00 86.00 12 A 1 ATOM 107 C CG2 . VAL A 1 12 ? 12.997 16.588 -9.063 1.00 86.59 12 A 1 ATOM 108 N N . ILE A 1 13 ? 8.989 14.478 -10.169 1.00 92.87 13 A 1 ATOM 109 C CA . ILE A 1 13 ? 7.938 13.458 -10.305 1.00 93.08 13 A 1 ATOM 110 C C . ILE A 1 13 ? 7.771 13.085 -11.778 1.00 93.62 13 A 1 ATOM 111 O O . ILE A 1 13 ? 7.940 11.921 -12.118 1.00 93.72 13 A 1 ATOM 112 C CB . ILE A 1 13 ? 6.617 13.939 -9.661 1.00 93.39 13 A 1 ATOM 113 C CG1 . ILE A 1 13 ? 6.768 14.030 -8.126 1.00 92.10 13 A 1 ATOM 114 C CG2 . ILE A 1 13 ? 5.448 12.994 -10.009 1.00 91.59 13 A 1 ATOM 115 C CD1 . ILE A 1 13 ? 5.655 14.840 -7.451 1.00 88.78 13 A 1 ATOM 116 N N . ASP A 1 14 ? 7.558 14.066 -12.673 1.00 94.62 14 A 1 ATOM 117 C CA . ASP A 1 14 ? 7.370 13.821 -14.111 1.00 95.20 14 A 1 ATOM 118 C C . ASP A 1 14 ? 8.544 13.058 -14.751 1.00 95.53 14 A 1 ATOM 119 O O . ASP A 1 14 ? 8.341 12.221 -15.621 1.00 94.57 14 A 1 ATOM 120 C CB . ASP A 1 14 ? 7.177 15.159 -14.853 1.00 94.85 14 A 1 ATOM 121 C CG . ASP A 1 14 ? 5.832 15.850 -14.599 1.00 92.81 14 A 1 ATOM 122 O OD1 . ASP A 1 14 ? 4.828 15.157 -14.321 1.00 88.08 14 A 1 ATOM 123 O OD2 . ASP A 1 14 ? 5.782 17.093 -14.740 1.00 87.76 14 A 1 ATOM 124 N N . MET A 1 15 ? 9.776 13.330 -14.319 1.00 94.21 15 A 1 ATOM 125 C CA . MET A 1 15 ? 10.980 12.662 -14.831 1.00 94.75 15 A 1 ATOM 126 C C . MET A 1 15 ? 11.198 11.246 -14.284 1.00 95.04 15 A 1 ATOM 127 O O . MET A 1 15 ? 12.066 10.543 -14.799 1.00 94.00 15 A 1 ATOM 128 C CB . MET A 1 15 ? 12.207 13.526 -14.507 1.00 94.88 15 A 1 ATOM 129 C CG . MET A 1 15 ? 12.280 14.803 -15.350 1.00 87.86 15 A 1 ATOM 130 S SD . MET A 1 15 ? 13.672 15.901 -14.943 1.00 79.91 15 A 1 ATOM 131 C CE . MET A 1 15 ? 15.062 14.818 -15.396 1.00 66.99 15 A 1 ATOM 132 N N . ASN A 1 16 ? 10.495 10.851 -13.232 1.00 94.48 16 A 1 ATOM 133 C CA . ASN A 1 16 ? 10.727 9.591 -12.520 1.00 94.00 16 A 1 ATOM 134 C C . ASN A 1 16 ? 9.468 8.719 -12.408 1.00 94.37 16 A 1 ATOM 135 O O . ASN A 1 16 ? 9.454 7.826 -11.566 1.00 93.51 16 A 1 ATOM 136 C CB . ASN A 1 16 ? 11.373 9.867 -11.146 1.00 94.11 16 A 1 ATOM 137 C CG . ASN A 1 16 ? 12.779 10.424 -11.244 1.00 92.63 16 A 1 ATOM 138 O OD1 . ASN A 1 16 ? 13.772 9.717 -11.296 1.00 84.55 16 A 1 ATOM 139 N ND2 . ASN A 1 16 ? 12.917 11.725 -11.253 1.00 85.65 16 A 1 ATOM 140 N N . ILE A 1 17 ? 8.440 8.941 -13.235 1.00 95.46 17 A 1 ATOM 141 C CA . ILE A 1 17 ? 7.186 8.167 -13.189 1.00 95.04 17 A 1 ATOM 142 C C . ILE A 1 17 ? 7.455 6.660 -13.272 1.00 95.08 17 A 1 ATOM 143 O O . ILE A 1 17 ? 7.060 5.935 -12.362 1.00 94.27 17 A 1 ATOM 144 C CB . ILE A 1 17 ? 6.205 8.638 -14.289 1.00 94.03 17 A 1 ATOM 145 C CG1 . ILE A 1 17 ? 5.717 10.087 -14.056 1.00 89.86 17 A 1 ATOM 146 C CG2 . ILE A 1 17 ? 4.993 7.696 -14.420 1.00 89.62 17 A 1 ATOM 147 C CD1 . ILE A 1 17 ? 4.906 10.321 -12.772 1.00 79.33 17 A 1 ATOM 148 N N . ASP A 1 18 ? 8.218 6.211 -14.274 1.00 94.89 18 A 1 ATOM 149 C CA . ASP A 1 18 ? 8.530 4.785 -14.462 1.00 95.21 18 A 1 ATOM 150 C C . ASP A 1 18 ? 9.202 4.180 -13.218 1.00 95.36 18 A 1 ATOM 151 O O . ASP A 1 18 ? 8.873 3.079 -12.774 1.00 94.57 18 A 1 ATOM 152 C CB . ASP A 1 18 ? 9.474 4.607 -15.667 1.00 95.24 18 A 1 ATOM 153 C CG . ASP A 1 18 ? 8.955 5.164 -16.997 1.00 92.86 18 A 1 ATOM 154 O OD1 . ASP A 1 18 ? 7.741 5.446 -17.106 1.00 88.13 18 A 1 ATOM 155 O OD2 . ASP A 1 18 ? 9.808 5.383 -17.886 1.00 88.49 18 A 1 ATOM 156 N N . LYS A 1 19 ? 10.128 4.918 -12.605 1.00 95.24 19 A 1 ATOM 157 C CA . LYS A 1 19 ? 10.825 4.483 -11.390 1.00 94.68 19 A 1 ATOM 158 C C . LYS A 1 19 ? 9.900 4.471 -10.169 1.00 94.80 19 A 1 ATOM 159 O O . LYS A 1 19 ? 10.038 3.609 -9.309 1.00 93.81 19 A 1 ATOM 160 C CB . LYS A 1 19 ? 12.036 5.393 -11.173 1.00 94.20 19 A 1 ATOM 161 C CG . LYS A 1 19 ? 12.901 4.906 -10.012 1.00 84.81 19 A 1 ATOM 162 C CD . LYS A 1 19 ? 14.090 5.844 -9.830 1.00 81.30 19 A 1 ATOM 163 C CE . LYS A 1 19 ? 14.904 5.364 -8.630 1.00 72.50 19 A 1 ATOM 164 N NZ . LYS A 1 19 ? 15.934 6.366 -8.284 1.00 65.37 19 A 1 ATOM 165 N N . ILE A 1 20 ? 8.983 5.437 -10.077 1.00 93.42 20 A 1 ATOM 166 C CA . ILE A 1 20 ? 7.966 5.471 -9.021 1.00 93.17 20 A 1 ATOM 167 C C . ILE A 1 20 ? 7.071 4.236 -9.129 1.00 93.01 20 A 1 ATOM 168 O O . ILE A 1 20 ? 6.854 3.571 -8.118 1.00 92.63 20 A 1 ATOM 169 C CB . ILE A 1 20 ? 7.146 6.781 -9.087 1.00 93.68 20 A 1 ATOM 170 C CG1 . ILE A 1 20 ? 8.012 7.991 -8.666 1.00 92.87 20 A 1 ATOM 171 C CG2 . ILE A 1 20 ? 5.893 6.703 -8.201 1.00 92.52 20 A 1 ATOM 172 C CD1 . ILE A 1 20 ? 7.448 9.344 -9.130 1.00 90.02 20 A 1 ATOM 173 N N . GLU A 1 21 ? 6.595 3.916 -10.336 1.00 93.75 21 A 1 ATOM 174 C CA . GLU A 1 21 ? 5.771 2.730 -10.578 1.00 93.56 21 A 1 ATOM 175 C C . GLU A 1 21 ? 6.541 1.439 -10.261 1.00 93.06 21 A 1 ATOM 176 O O . GLU A 1 21 ? 6.022 0.582 -9.548 1.00 92.34 21 A 1 ATOM 177 C CB . GLU A 1 21 ? 5.240 2.730 -12.023 1.00 93.64 21 A 1 ATOM 178 C CG . GLU A 1 21 ? 4.199 3.846 -12.263 1.00 90.53 21 A 1 ATOM 179 C CD . GLU A 1 21 ? 3.554 3.823 -13.667 1.00 88.88 21 A 1 ATOM 180 O OE1 . GLU A 1 21 ? 2.546 4.556 -13.859 1.00 79.97 21 A 1 ATOM 181 O OE2 . GLU A 1 21 ? 4.041 3.070 -14.537 1.00 81.99 21 A 1 ATOM 182 N N . GLU A 1 22 ? 7.797 1.320 -10.702 1.00 93.44 22 A 1 ATOM 183 C CA . GLU A 1 22 ? 8.643 0.149 -10.427 1.00 93.36 22 A 1 ATOM 184 C C . GLU A 1 22 ? 8.828 -0.099 -8.921 1.00 92.72 22 A 1 ATOM 185 O O . GLU A 1 22 ? 8.586 -1.210 -8.436 1.00 92.02 22 A 1 ATOM 186 C CB . GLU A 1 22 ? 10.013 0.336 -11.113 1.00 93.73 22 A 1 ATOM 187 C CG . GLU A 1 22 ? 10.869 -0.939 -11.052 1.00 83.59 22 A 1 ATOM 188 C CD . GLU A 1 22 ? 12.341 -0.741 -11.449 1.00 81.70 22 A 1 ATOM 189 O OE1 . GLU A 1 22 ? 13.151 -1.618 -11.047 1.00 72.50 22 A 1 ATOM 190 O OE2 . GLU A 1 22 ? 12.691 0.281 -12.076 1.00 74.99 22 A 1 ATOM 191 N N . GLU A 1 23 ? 9.233 0.923 -8.166 1.00 93.26 23 A 1 ATOM 192 C CA . GLU A 1 23 ? 9.446 0.789 -6.716 1.00 92.33 23 A 1 ATOM 193 C C . GLU A 1 23 ? 8.127 0.567 -5.961 1.00 91.71 23 A 1 ATOM 194 O O . GLU A 1 23 ? 8.075 -0.201 -5.002 1.00 90.33 23 A 1 ATOM 195 C CB . GLU A 1 23 ? 10.190 2.023 -6.176 1.00 92.98 23 A 1 ATOM 196 C CG . GLU A 1 23 ? 11.636 2.156 -6.683 1.00 89.48 23 A 1 ATOM 197 C CD . GLU A 1 23 ? 12.524 0.959 -6.316 1.00 88.55 23 A 1 ATOM 198 O OE1 . GLU A 1 23 ? 13.102 0.322 -7.234 1.00 78.83 23 A 1 ATOM 199 O OE2 . GLU A 1 23 ? 12.626 0.652 -5.112 1.00 79.62 23 A 1 ATOM 200 N N . ALA A 1 24 ? 7.034 1.186 -6.426 1.00 92.38 24 A 1 ATOM 201 C CA . ALA A 1 24 ? 5.708 0.984 -5.858 1.00 90.96 24 A 1 ATOM 202 C C . ALA A 1 24 ? 5.214 -0.458 -6.032 1.00 89.95 24 A 1 ATOM 203 O O . ALA A 1 24 ? 4.707 -1.049 -5.078 1.00 88.84 24 A 1 ATOM 204 C CB . ALA A 1 24 ? 4.747 1.979 -6.515 1.00 90.76 24 A 1 ATOM 205 N N . ILE A 1 25 ? 5.394 -1.043 -7.229 1.00 89.80 25 A 1 ATOM 206 C CA . ILE A 1 25 ? 5.036 -2.439 -7.512 1.00 88.23 25 A 1 ATOM 207 C C . ILE A 1 25 ? 5.816 -3.385 -6.601 1.00 86.63 25 A 1 ATOM 208 O O . ILE A 1 25 ? 5.226 -4.311 -6.044 1.00 85.39 25 A 1 ATOM 209 C CB . ILE A 1 25 ? 5.280 -2.774 -9.000 1.00 88.53 25 A 1 ATOM 210 C CG1 . ILE A 1 25 ? 4.233 -2.071 -9.891 1.00 86.97 25 A 1 ATOM 211 C CG2 . ILE A 1 25 ? 5.227 -4.296 -9.257 1.00 86.46 25 A 1 ATOM 212 C CD1 . ILE A 1 25 ? 4.629 -2.042 -11.370 1.00 81.93 25 A 1 ATOM 213 N N . LYS A 1 26 ? 7.124 -3.164 -6.417 1.00 88.44 26 A 1 ATOM 214 C CA . LYS A 1 26 ? 7.941 -3.983 -5.507 1.00 87.41 26 A 1 ATOM 215 C C . LYS A 1 26 ? 7.377 -3.950 -4.089 1.00 86.39 26 A 1 ATOM 216 O O . LYS A 1 26 ? 7.080 -5.007 -3.535 1.00 85.41 26 A 1 ATOM 217 C CB . LYS A 1 26 ? 9.399 -3.507 -5.510 1.00 88.65 26 A 1 ATOM 218 C CG . LYS A 1 26 ? 10.132 -3.831 -6.816 1.00 80.83 26 A 1 ATOM 219 C CD . LYS A 1 26 ? 11.500 -3.141 -6.803 1.00 80.36 26 A 1 ATOM 220 C CE . LYS A 1 26 ? 12.138 -3.183 -8.190 1.00 72.37 26 A 1 ATOM 221 N NZ . LYS A 1 26 ? 13.222 -2.179 -8.304 1.00 66.56 26 A 1 ATOM 222 N N . ALA A 1 27 ? 7.148 -2.754 -3.545 1.00 88.02 27 A 1 ATOM 223 C CA . ALA A 1 27 ? 6.595 -2.601 -2.199 1.00 86.34 27 A 1 ATOM 224 C C . ALA A 1 27 ? 5.187 -3.207 -2.071 1.00 85.04 27 A 1 ATOM 225 O O . ALA A 1 27 ? 4.858 -3.792 -1.038 1.00 83.48 27 A 1 ATOM 226 C CB . ALA A 1 27 ? 6.586 -1.110 -1.848 1.00 86.58 27 A 1 ATOM 227 N N . PHE A 1 28 ? 4.359 -3.102 -3.116 1.00 84.96 28 A 1 ATOM 228 C CA . PHE A 1 28 ? 3.036 -3.721 -3.150 1.00 82.98 28 A 1 ATOM 229 C C . PHE A 1 28 ? 3.132 -5.245 -3.088 1.00 81.93 28 A 1 ATOM 230 O O . PHE A 1 28 ? 2.542 -5.847 -2.192 1.00 80.87 28 A 1 ATOM 231 C CB . PHE A 1 28 ? 2.262 -3.258 -4.392 1.00 82.37 28 A 1 ATOM 232 C CG . PHE A 1 28 ? 0.902 -3.919 -4.531 1.00 80.66 28 A 1 ATOM 233 C CD1 . PHE A 1 28 ? 0.687 -4.903 -5.516 1.00 78.64 28 A 1 ATOM 234 C CD2 . PHE A 1 28 ? -0.136 -3.584 -3.642 1.00 77.35 28 A 1 ATOM 235 C CE1 . PHE A 1 28 ? -0.559 -5.545 -5.612 1.00 75.95 28 A 1 ATOM 236 C CE2 . PHE A 1 28 ? -1.383 -4.229 -3.737 1.00 75.94 28 A 1 ATOM 237 C CZ . PHE A 1 28 ? -1.594 -5.211 -4.722 1.00 76.71 28 A 1 ATOM 238 N N . LYS A 1 29 ? 3.932 -5.862 -3.965 1.00 81.54 29 A 1 ATOM 239 C CA . LYS A 1 29 ? 4.129 -7.318 -3.985 1.00 79.34 29 A 1 ATOM 240 C C . LYS A 1 29 ? 4.695 -7.837 -2.664 1.00 77.72 29 A 1 ATOM 241 O O . LYS A 1 29 ? 4.179 -8.807 -2.126 1.00 76.11 29 A 1 ATOM 242 C CB . LYS A 1 29 ? 5.031 -7.722 -5.163 1.00 80.00 29 A 1 ATOM 243 C CG . LYS A 1 29 ? 4.311 -7.572 -6.511 1.00 79.40 29 A 1 ATOM 244 C CD . LYS A 1 29 ? 5.169 -8.097 -7.670 1.00 77.87 29 A 1 ATOM 245 C CE . LYS A 1 29 ? 4.345 -8.040 -8.960 1.00 74.60 29 A 1 ATOM 246 N NZ . LYS A 1 29 ? 4.907 -8.891 -10.037 1.00 69.81 29 A 1 ATOM 247 N N . GLU A 1 30 ? 5.687 -7.156 -2.102 1.00 79.96 30 A 1 ATOM 248 C CA . GLU A 1 30 ? 6.226 -7.487 -0.777 1.00 78.48 30 A 1 ATOM 249 C C . GLU A 1 30 ? 5.153 -7.400 0.318 1.00 77.33 30 A 1 ATOM 250 O O . GLU A 1 30 ? 5.067 -8.276 1.173 1.00 75.11 30 A 1 ATOM 251 C CB . GLU A 1 30 ? 7.388 -6.543 -0.429 1.00 78.70 30 A 1 ATOM 252 C CG . GLU A 1 30 ? 8.666 -6.846 -1.230 1.00 74.28 30 A 1 ATOM 253 C CD . GLU A 1 30 ? 9.800 -5.831 -0.971 1.00 72.36 30 A 1 ATOM 254 O OE1 . GLU A 1 30 ? 10.838 -5.936 -1.662 1.00 67.77 30 A 1 ATOM 255 O OE2 . GLU A 1 30 ? 9.645 -4.956 -0.086 1.00 68.57 30 A 1 ATOM 256 N N . SER A 1 31 ? 4.294 -6.378 0.277 1.00 78.18 31 A 1 ATOM 257 C CA . SER A 1 31 ? 3.213 -6.224 1.255 1.00 76.58 31 A 1 ATOM 258 C C . SER A 1 31 ? 2.163 -7.334 1.186 1.00 75.53 31 A 1 ATOM 259 O O . SER A 1 31 ? 1.599 -7.688 2.217 1.00 73.88 31 A 1 ATOM 260 C CB . SER A 1 31 ? 2.552 -4.848 1.135 1.00 76.26 31 A 1 ATOM 261 O OG . SER A 1 31 ? 1.636 -4.756 0.062 1.00 69.47 31 A 1 ATOM 262 N N . CYS A 1 32 ? 1.933 -7.911 -0.004 1.00 74.79 32 A 1 ATOM 263 C CA . CYS A 1 32 ? 1.010 -9.031 -0.193 1.00 73.02 32 A 1 ATOM 264 C C . CYS A 1 32 ? 1.504 -10.337 0.453 1.00 71.16 32 A 1 ATOM 265 O O . CYS A 1 32 ? 0.711 -11.250 0.632 1.00 69.49 32 A 1 ATOM 266 C CB . CYS A 1 32 ? 0.766 -9.249 -1.696 1.00 72.99 32 A 1 ATOM 267 S SG . CYS A 1 32 ? -0.070 -7.809 -2.432 1.00 70.35 32 A 1 ATOM 268 N N . LEU A 1 33 ? 2.790 -10.427 0.804 1.00 71.97 33 A 1 ATOM 269 C CA . LEU A 1 33 ? 3.389 -11.605 1.446 1.00 69.53 33 A 1 ATOM 270 C C . LEU A 1 33 ? 3.417 -11.508 2.981 1.00 68.06 33 A 1 ATOM 271 O O . LEU A 1 33 ? 3.923 -12.403 3.652 1.00 65.95 33 A 1 ATOM 272 C CB . LEU A 1 33 ? 4.800 -11.820 0.869 1.00 68.31 33 A 1 ATOM 273 C CG . LEU A 1 33 ? 4.859 -11.993 -0.662 1.00 65.05 33 A 1 ATOM 274 C CD1 . LEU A 1 33 ? 6.314 -12.093 -1.109 1.00 64.00 33 A 1 ATOM 275 C CD2 . LEU A 1 33 ? 4.112 -13.241 -1.132 1.00 62.69 33 A 1 ATOM 276 N N . ILE A 1 34 ? 2.910 -10.415 3.557 1.00 66.93 34 A 1 ATOM 277 C CA . ILE A 1 34 ? 2.984 -10.145 4.998 1.00 65.59 34 A 1 ATOM 278 C C . ILE A 1 34 ? 1.573 -10.129 5.591 1.00 64.93 34 A 1 ATOM 279 O O . ILE A 1 34 ? 0.738 -9.318 5.194 1.00 61.74 34 A 1 ATOM 280 C CB . ILE A 1 34 ? 3.737 -8.821 5.268 1.00 62.95 34 A 1 ATOM 281 C CG1 . ILE A 1 34 ? 5.169 -8.843 4.683 1.00 58.59 34 A 1 ATOM 282 C CG2 . ILE A 1 34 ? 3.802 -8.551 6.783 1.00 58.42 34 A 1 ATOM 283 C CD1 . ILE A 1 34 ? 5.875 -7.479 4.699 1.00 54.62 34 A 1 ATOM 284 N N . LYS A 1 35 ? 1.327 -10.953 6.617 1.00 62.69 35 A 1 ATOM 285 C CA . LYS A 1 35 ? 0.028 -11.051 7.322 1.00 61.18 35 A 1 ATOM 286 C C . LYS A 1 35 ? -0.427 -9.753 8.005 1.00 61.04 35 A 1 ATOM 287 O O . LYS A 1 35 ? -1.599 -9.602 8.345 1.00 56.93 35 A 1 ATOM 288 C CB . LYS A 1 35 ? 0.057 -12.200 8.358 1.00 56.94 35 A 1 ATOM 289 C CG . LYS A 1 35 ? 0.134 -13.581 7.687 1.00 51.81 35 A 1 ATOM 290 C CD . LYS A 1 35 ? 0.038 -14.787 8.645 1.00 48.97 35 A 1 ATOM 291 C CE . LYS A 1 35 ? 0.149 -16.061 7.782 1.00 43.95 35 A 1 ATOM 292 N NZ . LYS A 1 35 ? 0.201 -17.360 8.500 1.00 39.49 35 A 1 ATOM 293 N N . GLU A 1 36 ? 0.483 -8.822 8.251 1.00 61.50 36 A 1 ATOM 294 C CA . GLU A 1 36 ? 0.162 -7.561 8.915 1.00 61.71 36 A 1 ATOM 295 C C . GLU A 1 36 ? -0.454 -6.551 7.944 1.00 62.00 36 A 1 ATOM 296 O O . GLU A 1 36 ? 0.035 -6.346 6.835 1.00 58.28 36 A 1 ATOM 297 C CB . GLU A 1 36 ? 1.399 -6.961 9.589 1.00 58.81 36 A 1 ATOM 298 C CG . GLU A 1 36 ? 1.976 -7.847 10.705 1.00 52.99 36 A 1 ATOM 299 C CD . GLU A 1 36 ? 3.107 -7.160 11.488 1.00 50.29 36 A 1 ATOM 300 O OE1 . GLU A 1 36 ? 3.548 -7.731 12.512 1.00 47.95 36 A 1 ATOM 301 O OE2 . GLU A 1 36 ? 3.499 -6.023 11.129 1.00 46.98 36 A 1 ATOM 302 N N . THR A 1 37 ? -1.485 -5.832 8.396 1.00 62.21 37 A 1 ATOM 303 C CA . THR A 1 37 ? -2.075 -4.728 7.628 1.00 61.17 37 A 1 ATOM 304 C C . THR A 1 37 ? -1.082 -3.575 7.530 1.00 63.65 37 A 1 ATOM 305 O O . THR A 1 37 ? -0.879 -2.813 8.482 1.00 58.54 37 A 1 ATOM 306 C CB . THR A 1 37 ? -3.385 -4.236 8.248 1.00 55.86 37 A 1 ATOM 307 O OG1 . THR A 1 37 ? -4.233 -5.312 8.543 1.00 50.02 37 A 1 ATOM 308 C CG2 . THR A 1 37 ? -4.149 -3.307 7.300 1.00 48.53 37 A 1 ATOM 309 N N . ASN A 1 38 ? -0.484 -3.422 6.353 1.00 69.08 38 A 1 ATOM 310 C CA . ASN A 1 38 ? 0.497 -2.384 6.061 1.00 70.07 38 A 1 ATOM 311 C C . ASN A 1 38 ? -0.095 -1.280 5.177 1.00 73.81 38 A 1 ATOM 312 O O . ASN A 1 38 ? -0.869 -1.524 4.259 1.00 71.28 38 A 1 ATOM 313 C CB . ASN A 1 38 ? 1.738 -3.039 5.431 1.00 64.59 38 A 1 ATOM 314 C CG . ASN A 1 38 ? 2.520 -3.864 6.436 1.00 58.06 38 A 1 ATOM 315 O OD1 . ASN A 1 38 ? 2.700 -3.479 7.580 1.00 54.17 38 A 1 ATOM 316 N ND2 . ASN A 1 38 ? 3.024 -5.005 6.047 1.00 52.74 38 A 1 ATOM 317 N N . ASN A 1 39 ? 0.311 -0.043 5.429 1.00 75.45 39 A 1 ATOM 318 C CA . ASN A 1 39 ? 0.156 1.032 4.463 1.00 77.57 39 A 1 ATOM 319 C C . ASN A 1 39 ? 1.364 1.031 3.532 1.00 80.13 39 A 1 ATOM 320 O O . ASN A 1 39 ? 2.496 0.899 3.993 1.00 79.40 39 A 1 ATOM 321 C CB . ASN A 1 39 ? 0.042 2.376 5.183 1.00 74.89 39 A 1 ATOM 322 C CG . ASN A 1 39 ? -1.209 2.521 6.026 1.00 70.87 39 A 1 ATOM 323 O OD1 . ASN A 1 39 ? -2.200 1.833 5.891 1.00 67.00 39 A 1 ATOM 324 N ND2 . ASN A 1 39 ? -1.219 3.471 6.931 1.00 64.90 39 A 1 ATOM 325 N N . ILE A 1 40 ? 1.143 1.270 2.242 1.00 81.80 40 A 1 ATOM 326 C CA . ILE A 1 40 ? 2.232 1.521 1.296 1.00 83.42 40 A 1 ATOM 327 C C . ILE A 1 40 ? 2.395 3.028 1.177 1.00 84.34 40 A 1 ATOM 328 O O . ILE A 1 40 ? 1.444 3.739 0.851 1.00 83.56 40 A 1 ATOM 329 C CB . ILE A 1 40 ? 1.972 0.840 -0.057 1.00 82.62 40 A 1 ATOM 330 C CG1 . ILE A 1 40 ? 1.831 -0.683 0.145 1.00 80.11 40 A 1 ATOM 331 C CG2 . ILE A 1 40 ? 3.120 1.159 -1.038 1.00 79.41 40 A 1 ATOM 332 C CD1 . ILE A 1 40 ? 1.319 -1.389 -1.100 1.00 74.44 40 A 1 ATOM 333 N N . LYS A 1 41 ? 3.596 3.526 1.458 1.00 81.78 41 A 1 ATOM 334 C CA . LYS A 1 41 ? 3.936 4.944 1.304 1.00 83.08 41 A 1 ATOM 335 C C . LYS A 1 41 ? 5.062 5.090 0.302 1.00 83.92 41 A 1 ATOM 336 O O . LYS A 1 41 ? 6.035 4.342 0.358 1.00 84.09 41 A 1 ATOM 337 C CB . LYS A 1 41 ? 4.320 5.564 2.647 1.00 81.94 41 A 1 ATOM 338 C CG . LYS A 1 41 ? 3.157 5.568 3.643 1.00 78.87 41 A 1 ATOM 339 C CD . LYS A 1 41 ? 3.585 6.298 4.919 1.00 76.51 41 A 1 ATOM 340 C CE . LYS A 1 41 ? 2.459 6.248 5.949 1.00 70.51 41 A 1 ATOM 341 N NZ . LYS A 1 41 ? 2.899 6.833 7.239 1.00 63.71 41 A 1 ATOM 342 N N . ILE A 1 42 ? 4.934 6.069 -0.581 1.00 84.40 42 A 1 ATOM 343 C CA . ILE A 1 42 ? 5.918 6.339 -1.627 1.00 84.75 42 A 1 ATOM 344 C C . ILE A 1 42 ? 6.403 7.771 -1.479 1.00 85.28 42 A 1 ATOM 345 O O . ILE A 1 42 ? 5.616 8.719 -1.475 1.00 84.90 42 A 1 ATOM 346 C CB . ILE A 1 42 ? 5.357 6.049 -3.027 1.00 85.08 42 A 1 ATOM 347 C CG1 . ILE A 1 42 ? 4.730 4.637 -3.075 1.00 84.30 42 A 1 ATOM 348 C CG2 . ILE A 1 42 ? 6.479 6.202 -4.076 1.00 83.89 42 A 1 ATOM 349 C CD1 . ILE A 1 42 ? 4.062 4.316 -4.403 1.00 77.33 42 A 1 ATOM 350 N N . TYR A 1 43 ? 7.717 7.903 -1.366 1.00 84.84 43 A 1 ATOM 351 C CA . TYR A 1 43 ? 8.413 9.170 -1.214 1.00 85.61 43 A 1 ATOM 352 C C . TYR A 1 43 ? 9.303 9.438 -2.416 1.00 86.82 43 A 1 ATOM 353 O O . TYR A 1 43 ? 9.835 8.518 -3.038 1.00 86.68 43 A 1 ATOM 354 C CB . TYR A 1 43 ? 9.215 9.174 0.089 1.00 83.18 43 A 1 ATOM 355 C CG . TYR A 1 43 ? 8.358 9.023 1.327 1.00 78.98 43 A 1 ATOM 356 C CD1 . TYR A 1 43 ? 7.845 10.166 1.968 1.00 74.58 43 A 1 ATOM 357 C CD2 . TYR A 1 43 ? 8.044 7.740 1.819 1.00 73.91 43 A 1 ATOM 358 C CE1 . TYR A 1 43 ? 7.010 10.031 3.093 1.00 69.21 43 A 1 ATOM 359 C CE2 . TYR A 1 43 ? 7.207 7.603 2.942 1.00 69.98 43 A 1 ATOM 360 C CZ . TYR A 1 43 ? 6.685 8.752 3.576 1.00 70.24 43 A 1 ATOM 361 O OH . TYR A 1 43 ? 5.861 8.625 4.644 1.00 67.41 43 A 1 ATOM 362 N N . ILE A 1 44 ? 9.504 10.713 -2.716 1.00 83.07 44 A 1 ATOM 363 C CA . ILE A 1 44 ? 10.519 11.154 -3.666 1.00 85.51 44 A 1 ATOM 364 C C . ILE A 1 44 ? 11.255 12.373 -3.118 1.00 85.34 44 A 1 ATOM 365 O O . ILE A 1 44 ? 10.643 13.307 -2.594 1.00 84.41 44 A 1 ATOM 366 C CB . ILE A 1 44 ? 9.915 11.366 -5.068 1.00 86.60 44 A 1 ATOM 367 C CG1 . ILE A 1 44 ? 11.035 11.482 -6.125 1.00 83.70 44 A 1 ATOM 368 C CG2 . ILE A 1 44 ? 8.960 12.572 -5.114 1.00 83.20 44 A 1 ATOM 369 C CD1 . ILE A 1 44 ? 10.514 11.364 -7.559 1.00 80.79 44 A 1 ATOM 370 N N . ASP A 1 45 ? 12.575 12.363 -3.239 1.00 84.53 45 A 1 ATOM 371 C CA . ASP A 1 45 ? 13.403 13.517 -2.890 1.00 85.49 45 A 1 ATOM 372 C C . ASP A 1 45 ? 13.662 14.438 -4.097 1.00 86.48 45 A 1 ATOM 373 O O . ASP A 1 45 ? 13.338 14.145 -5.248 1.00 87.06 45 A 1 ATOM 374 C CB . ASP A 1 45 ? 14.675 13.068 -2.140 1.00 83.89 45 A 1 ATOM 375 C CG . ASP A 1 45 ? 15.824 12.540 -3.007 1.00 82.32 45 A 1 ATOM 376 O OD1 . ASP A 1 45 ? 15.746 12.645 -4.250 1.00 77.89 45 A 1 ATOM 377 O OD2 . ASP A 1 45 ? 16.850 12.140 -2.418 1.00 79.21 45 A 1 ATOM 378 N N . ILE A 1 46 ? 14.282 15.593 -3.846 1.00 85.51 46 A 1 ATOM 379 C CA . ILE A 1 46 ? 14.568 16.594 -4.886 1.00 85.63 46 A 1 ATOM 380 C C . ILE A 1 46 ? 15.607 16.132 -5.928 1.00 86.55 46 A 1 ATOM 381 O O . ILE A 1 46 ? 15.791 16.806 -6.947 1.00 84.91 46 A 1 ATOM 382 C CB . ILE A 1 46 ? 14.972 17.920 -4.196 1.00 83.30 46 A 1 ATOM 383 C CG1 . ILE A 1 46 ? 14.704 19.158 -5.073 1.00 75.08 46 A 1 ATOM 384 C CG2 . ILE A 1 46 ? 16.454 17.913 -3.738 1.00 73.22 46 A 1 ATOM 385 C CD1 . ILE A 1 46 ? 13.223 19.439 -5.284 1.00 67.09 46 A 1 ATOM 386 N N . GLN A 1 47 ? 16.304 15.013 -5.676 1.00 81.27 47 A 1 ATOM 387 C CA . GLN A 1 47 ? 17.279 14.391 -6.573 1.00 82.62 47 A 1 ATOM 388 C C . GLN A 1 47 ? 16.655 13.260 -7.409 1.00 82.70 47 A 1 ATOM 389 O O . GLN A 1 47 ? 17.313 12.737 -8.300 1.00 81.90 47 A 1 ATOM 390 C CB . GLN A 1 47 ? 18.486 13.881 -5.763 1.00 84.02 47 A 1 ATOM 391 C CG . GLN A 1 47 ? 19.143 14.983 -4.921 1.00 81.11 47 A 1 ATOM 392 C CD . GLN A 1 47 ? 20.373 14.510 -4.148 1.00 74.80 47 A 1 ATOM 393 O OE1 . GLN A 1 47 ? 20.974 13.477 -4.389 1.00 65.92 47 A 1 ATOM 394 N NE2 . GLN A 1 47 ? 20.832 15.275 -3.181 1.00 64.05 47 A 1 ATOM 395 N N . GLY A 1 48 ? 15.396 12.903 -7.159 1.00 84.28 48 A 1 ATOM 396 C CA . GLY A 1 48 ? 14.702 11.804 -7.831 1.00 84.24 48 A 1 ATOM 397 C C . GLY A 1 48 ? 14.985 10.430 -7.215 1.00 87.55 48 A 1 ATOM 398 O O . GLY A 1 48 ? 14.800 9.408 -7.872 1.00 86.32 48 A 1 ATOM 399 N N . LYS A 1 49 ? 15.469 10.380 -5.965 1.00 83.71 49 A 1 ATOM 400 C CA . LYS A 1 49 ? 15.508 9.123 -5.216 1.00 84.77 49 A 1 ATOM 401 C C . LYS A 1 49 ? 14.082 8.782 -4.796 1.00 84.84 49 A 1 ATOM 402 O O . LYS A 1 49 ? 13.458 9.558 -4.080 1.00 85.31 49 A 1 ATOM 403 C CB . LYS A 1 49 ? 16.453 9.228 -4.009 1.00 84.81 49 A 1 ATOM 404 C CG . LYS A 1 49 ? 16.615 7.883 -3.278 1.00 78.89 49 A 1 ATOM 405 C CD . LYS A 1 49 ? 17.161 8.050 -1.854 1.00 75.36 49 A 1 ATOM 406 C CE . LYS A 1 49 ? 17.105 6.696 -1.129 1.00 67.10 49 A 1 ATOM 407 N NZ . LYS A 1 49 ? 16.724 6.802 0.309 1.00 59.42 49 A 1 ATOM 408 N N . VAL A 1 50 ? 13.595 7.637 -5.259 1.00 79.92 50 A 1 ATOM 409 C CA . VAL A 1 50 ? 12.287 7.085 -4.886 1.00 81.66 50 A 1 ATOM 410 C C . VAL A 1 50 ? 12.482 6.072 -3.768 1.00 84.06 50 A 1 ATOM 411 O O . VAL A 1 50 ? 13.424 5.281 -3.812 1.00 83.80 50 A 1 ATOM 412 C CB . VAL A 1 50 ? 11.583 6.449 -6.097 1.00 79.90 50 A 1 ATOM 413 C CG1 . VAL A 1 50 ? 10.188 5.920 -5.741 1.00 73.74 50 A 1 ATOM 414 C CG2 . VAL A 1 50 ? 11.425 7.471 -7.235 1.00 74.77 50 A 1 ATOM 415 N N . GLU A 1 51 ? 11.596 6.104 -2.788 1.00 83.39 51 A 1 ATOM 416 C CA . GLU A 1 51 ? 11.533 5.147 -1.693 1.00 83.40 51 A 1 ATOM 417 C C . GLU A 1 51 ? 10.076 4.731 -1.496 1.00 83.40 51 A 1 ATOM 418 O O . GLU A 1 51 ? 9.218 5.572 -1.237 1.00 83.85 51 A 1 ATOM 419 C CB . GLU A 1 51 ? 12.159 5.777 -0.438 1.00 82.29 51 A 1 ATOM 420 C CG . GLU A 1 51 ? 12.360 4.775 0.705 1.00 73.17 51 A 1 ATOM 421 C CD . GLU A 1 51 ? 13.295 5.310 1.811 1.00 71.24 51 A 1 ATOM 422 O OE1 . GLU A 1 51 ? 13.248 4.765 2.932 1.00 62.64 51 A 1 ATOM 423 O OE2 . GLU A 1 51 ? 14.166 6.177 1.510 1.00 63.62 51 A 1 ATOM 424 N N . ALA A 1 52 ? 9.787 3.446 -1.678 1.00 82.73 52 A 1 ATOM 425 C CA . ALA A 1 52 ? 8.477 2.858 -1.451 1.00 82.21 52 A 1 ATOM 426 C C . ALA A 1 52 ? 8.586 1.848 -0.312 1.00 82.73 52 A 1 ATOM 427 O O . ALA A 1 52 ? 9.461 0.990 -0.329 1.00 82.24 52 A 1 ATOM 428 C CB . ALA A 1 52 ? 7.962 2.237 -2.750 1.00 80.48 52 A 1 ATOM 429 N N . ILE A 1 53 ? 7.741 1.987 0.700 1.00 83.02 53 A 1 ATOM 430 C CA . ILE A 1 53 ? 7.820 1.185 1.919 1.00 81.60 53 A 1 ATOM 431 C C . ILE A 1 53 ? 6.438 0.721 2.361 1.00 80.93 53 A 1 ATOM 432 O O . ILE A 1 53 ? 5.476 1.496 2.364 1.00 80.12 53 A 1 ATOM 433 C CB . ILE A 1 53 ? 8.552 1.939 3.047 1.00 79.76 53 A 1 ATOM 434 C CG1 . ILE A 1 53 ? 7.877 3.283 3.383 1.00 72.31 53 A 1 ATOM 435 C CG2 . ILE A 1 53 ? 10.039 2.156 2.688 1.00 72.43 53 A 1 ATOM 436 C CD1 . ILE A 1 53 ? 8.526 3.970 4.586 1.00 67.83 53 A 1 ATOM 437 N N . ALA A 1 54 ? 6.371 -0.531 2.788 1.00 81.32 54 A 1 ATOM 438 C CA . ALA A 1 54 ? 5.239 -1.082 3.517 1.00 78.74 54 A 1 ATOM 439 C C . ALA A 1 54 ? 5.458 -0.863 5.024 1.00 77.49 54 A 1 ATOM 440 O O . ALA A 1 54 ? 6.448 -1.312 5.593 1.00 74.67 54 A 1 ATOM 441 C CB . ALA A 1 54 ? 5.074 -2.558 3.135 1.00 76.38 54 A 1 ATOM 442 N N . VAL A 1 55 ? 4.556 -0.131 5.676 1.00 76.68 55 A 1 ATOM 443 C CA . VAL A 1 55 ? 4.636 0.171 7.113 1.00 75.09 55 A 1 ATOM 444 C C . VAL A 1 55 ? 3.317 -0.131 7.810 1.00 74.52 55 A 1 ATOM 445 O O . VAL A 1 55 ? 2.252 0.087 7.246 1.00 71.24 55 A 1 ATOM 446 C CB . VAL A 1 55 ? 5.034 1.631 7.401 1.00 71.71 55 A 1 ATOM 447 C CG1 . VAL A 1 55 ? 6.470 1.914 6.971 1.00 64.50 55 A 1 ATOM 448 C CG2 . VAL A 1 55 ? 4.108 2.669 6.748 1.00 66.74 55 A 1 ATOM 449 N N . GLN A 1 56 ? 3.376 -0.554 9.061 1.00 68.36 56 A 1 ATOM 450 C CA . GLN A 1 56 ? 2.171 -0.732 9.871 1.00 67.23 56 A 1 ATOM 451 C C . GLN A 1 56 ? 1.314 0.541 9.866 1.00 65.39 56 A 1 ATOM 452 O O . GLN A 1 56 ? 1.832 1.662 9.906 1.00 61.58 56 A 1 ATOM 453 C CB . GLN A 1 56 ? 2.549 -1.107 11.310 1.00 64.37 56 A 1 ATOM 454 C CG . GLN A 1 56 ? 3.160 -2.516 11.423 1.00 59.20 56 A 1 ATOM 455 C CD . GLN A 1 56 ? 3.495 -2.881 12.868 1.00 55.32 56 A 1 ATOM 456 O OE1 . GLN A 1 56 ? 3.536 -2.045 13.765 1.00 52.33 56 A 1 ATOM 457 N NE2 . GLN A 1 56 ? 3.758 -4.132 13.148 1.00 48.82 56 A 1 ATOM 458 N N . THR A 1 57 ? -0.008 0.385 9.868 1.00 60.12 57 A 1 ATOM 459 C CA . THR A 1 57 ? -0.978 1.488 9.723 1.00 59.12 57 A 1 ATOM 460 C C . THR A 1 57 ? -0.754 2.638 10.713 1.00 57.88 57 A 1 ATOM 461 O O . THR A 1 57 ? -0.944 3.808 10.381 1.00 54.12 57 A 1 ATOM 462 C CB . THR A 1 57 ? -2.402 0.931 9.881 1.00 55.72 57 A 1 ATOM 463 O OG1 . THR A 1 57 ? -2.580 -0.129 8.973 1.00 50.88 57 A 1 ATOM 464 C CG2 . THR A 1 57 ? -3.498 1.947 9.585 1.00 51.69 57 A 1 ATOM 465 N N . TRP A 1 58 ? -0.293 2.327 11.921 1.00 52.71 58 A 1 ATOM 466 C CA . TRP A 1 58 ? -0.024 3.292 12.995 1.00 51.47 58 A 1 ATOM 467 C C . TRP A 1 58 ? 1.389 3.894 12.970 1.00 50.42 58 A 1 ATOM 468 O O . TRP A 1 58 ? 1.662 4.840 13.725 1.00 46.51 58 A 1 ATOM 469 C CB . TRP A 1 58 ? -0.321 2.602 14.330 1.00 47.70 58 A 1 ATOM 470 C CG . TRP A 1 58 ? 0.392 1.297 14.548 1.00 45.26 58 A 1 ATOM 471 C CD1 . TRP A 1 58 ? -0.136 0.073 14.325 1.00 42.07 58 A 1 ATOM 472 C CD2 . TRP A 1 58 ? 1.757 1.067 15.012 1.00 41.85 58 A 1 ATOM 473 N NE1 . TRP A 1 58 ? 0.799 -0.902 14.610 1.00 37.16 58 A 1 ATOM 474 C CE2 . TRP A 1 58 ? 1.989 -0.344 15.041 1.00 39.73 58 A 1 ATOM 475 C CE3 . TRP A 1 58 ? 2.820 1.897 15.420 1.00 39.58 58 A 1 ATOM 476 C CZ2 . TRP A 1 58 ? 3.216 -0.898 15.444 1.00 38.62 58 A 1 ATOM 477 C CZ3 . TRP A 1 58 ? 4.056 1.351 15.825 1.00 37.07 58 A 1 ATOM 478 C CH2 . TRP A 1 58 ? 4.251 -0.036 15.835 1.00 36.68 58 A 1 ATOM 479 N N . ALA A 1 59 ? 2.288 3.384 12.129 1.00 50.83 59 A 1 ATOM 480 C CA . ALA A 1 59 ? 3.659 3.876 12.058 1.00 51.85 59 A 1 ATOM 481 C C . ALA A 1 59 ? 3.705 5.295 11.467 1.00 51.24 59 A 1 ATOM 482 O O . ALA A 1 59 ? 3.260 5.564 10.348 1.00 49.23 59 A 1 ATOM 483 C CB . ALA A 1 59 ? 4.532 2.884 11.282 1.00 49.24 59 A 1 ATOM 484 N N . LYS A 1 60 ? 4.289 6.220 12.230 1.00 44.38 60 A 1 ATOM 485 C CA . LYS A 1 60 ? 4.606 7.571 11.762 1.00 45.31 60 A 1 ATOM 486 C C . LYS A 1 60 ? 6.074 7.621 11.371 1.00 45.95 60 A 1 ATOM 487 O O . LYS A 1 60 ? 6.943 7.383 12.205 1.00 44.27 60 A 1 ATOM 488 C CB . LYS A 1 60 ? 4.284 8.619 12.830 1.00 41.31 60 A 1 ATOM 489 C CG . LYS A 1 60 ? 2.774 8.755 13.046 1.00 36.43 60 A 1 ATOM 490 C CD . LYS A 1 60 ? 2.473 9.875 14.047 1.00 34.03 60 A 1 ATOM 491 C CE . LYS A 1 60 ? 0.962 9.975 14.251 1.00 30.39 60 A 1 ATOM 492 N NZ . LYS A 1 60 ? 0.616 11.041 15.225 1.00 27.18 60 A 1 ATOM 493 N N . LEU A 1 61 ? 6.341 7.986 10.120 1.00 47.57 61 A 1 ATOM 494 C CA . LEU A 1 61 ? 7.689 8.316 9.688 1.00 47.27 61 A 1 ATOM 495 C C . LEU A 1 61 ? 7.995 9.761 10.074 1.00 46.67 61 A 1 ATOM 496 O O . LEU A 1 61 ? 7.131 10.636 9.992 1.00 43.59 61 A 1 ATOM 497 C CB . LEU A 1 61 ? 7.829 8.065 8.190 1.00 43.13 61 A 1 ATOM 498 C CG . LEU A 1 61 ? 7.646 6.584 7.838 1.00 39.91 61 A 1 ATOM 499 C CD1 . LEU A 1 61 ? 7.457 6.477 6.345 1.00 37.93 61 A 1 ATOM 500 C CD2 . LEU A 1 61 ? 8.834 5.717 8.261 1.00 38.42 61 A 1 ATOM 501 N N . LEU A 1 62 ? 9.223 9.986 10.524 1.00 45.54 62 A 1 ATOM 502 C CA . LEU A 1 62 ? 9.740 11.332 10.725 1.00 45.58 62 A 1 ATOM 503 C C . LEU A 1 62 ? 9.968 11.946 9.340 1.00 46.97 62 A 1 ATOM 504 O O . LEU A 1 62 ? 10.840 11.489 8.608 1.00 43.14 62 A 1 ATOM 505 C CB . LEU A 1 62 ? 11.030 11.276 11.559 1.00 39.42 62 A 1 ATOM 506 C CG . LEU A 1 62 ? 10.818 10.812 13.015 1.00 35.18 62 A 1 ATOM 507 C CD1 . LEU A 1 62 ? 12.171 10.578 13.685 1.00 31.50 62 A 1 ATOM 508 C CD2 . LEU A 1 62 ? 10.049 11.840 13.848 1.00 32.36 62 A 1 ATOM 509 N N . GLY A 1 63 ? 9.154 12.940 8.968 1.00 52.45 63 A 1 ATOM 510 C CA . GLY A 1 63 ? 9.326 13.648 7.698 1.00 52.95 63 A 1 ATOM 511 C C . GLY A 1 63 ? 10.640 14.427 7.682 1.00 55.02 63 A 1 ATOM 512 O O . GLY A 1 63 ? 10.906 15.193 8.610 1.00 51.28 63 A 1 ATOM 513 N N . ASP A 1 64 ? 11.437 14.248 6.623 1.00 54.96 64 A 1 ATOM 514 C CA . ASP A 1 64 ? 12.527 15.164 6.279 1.00 56.70 64 A 1 ATOM 515 C C . ASP A 1 64 ? 11.975 16.208 5.295 1.00 58.98 64 A 1 ATOM 516 O O . ASP A 1 64 ? 11.283 15.892 4.325 1.00 54.61 64 A 1 ATOM 517 C CB . ASP A 1 64 ? 13.760 14.405 5.733 1.00 52.02 64 A 1 ATOM 518 C CG . ASP A 1 64 ? 15.024 15.275 5.521 1.00 47.76 64 A 1 ATOM 519 O OD1 . ASP A 1 64 ? 14.939 16.525 5.554 1.00 44.90 64 A 1 ATOM 520 O OD2 . ASP A 1 64 ? 16.135 14.744 5.277 1.00 43.48 64 A 1 ATOM 521 N N . ASP A 1 65 ? 12.316 17.470 5.497 1.00 60.11 65 A 1 ATOM 522 C CA . ASP A 1 65 ? 11.953 18.555 4.590 1.00 62.45 65 A 1 ATOM 523 C C . ASP A 1 65 ? 12.513 18.357 3.173 1.00 65.89 65 A 1 ATOM 524 O O . ASP A 1 65 ? 12.184 19.132 2.277 1.00 60.92 65 A 1 ATOM 525 C CB . ASP A 1 65 ? 12.446 19.892 5.163 1.00 56.32 65 A 1 ATOM 526 C CG . ASP A 1 65 ? 11.516 20.540 6.198 1.00 51.37 65 A 1 ATOM 527 O OD1 . ASP A 1 65 ? 10.303 20.255 6.160 1.00 48.57 65 A 1 ATOM 528 O OD2 . ASP A 1 65 ? 12.023 21.439 6.912 1.00 46.28 65 A 1 ATOM 529 N N . LYS A 1 66 ? 13.373 17.359 2.929 1.00 67.46 66 A 1 ATOM 530 C CA . LYS A 1 66 ? 13.998 17.103 1.617 1.00 71.27 66 A 1 ATOM 531 C C . LYS A 1 66 ? 13.188 16.215 0.680 1.00 74.13 66 A 1 ATOM 532 O O . LYS A 1 66 ? 13.509 16.191 -0.504 1.00 71.08 66 A 1 ATOM 533 C CB . LYS A 1 66 ? 15.382 16.501 1.827 1.00 67.44 66 A 1 ATOM 534 C CG . LYS A 1 66 ? 16.325 17.482 2.519 1.00 63.18 66 A 1 ATOM 535 C CD . LYS A 1 66 ? 17.632 16.762 2.801 1.00 59.17 66 A 1 ATOM 536 C CE . LYS A 1 66 ? 18.474 17.566 3.782 1.00 52.06 66 A 1 ATOM 537 N NZ . LYS A 1 66 ? 19.343 16.639 4.525 1.00 45.19 66 A 1 ATOM 538 N N . GLU A 1 67 ? 12.168 15.526 1.177 1.00 67.18 67 A 1 ATOM 539 C CA . GLU A 1 67 ? 11.321 14.620 0.413 1.00 71.66 67 A 1 ATOM 540 C C . GLU A 1 67 ? 9.841 14.977 0.573 1.00 71.92 67 A 1 ATOM 541 O O . GLU A 1 67 ? 9.451 15.747 1.456 1.00 74.25 67 A 1 ATOM 542 C CB . GLU A 1 67 ? 11.635 13.165 0.798 1.00 71.89 67 A 1 ATOM 543 C CG . GLU A 1 67 ? 11.317 12.856 2.270 1.00 65.63 67 A 1 ATOM 544 C CD . GLU A 1 67 ? 11.714 11.446 2.703 1.00 65.80 67 A 1 ATOM 545 O OE1 . GLU A 1 67 ? 11.249 11.064 3.804 1.00 57.34 67 A 1 ATOM 546 O OE2 . GLU A 1 67 ? 12.487 10.811 1.969 1.00 61.80 67 A 1 ATOM 547 N N . ILE A 1 68 ? 9.016 14.458 -0.325 1.00 78.16 68 A 1 ATOM 548 C CA . ILE A 1 68 ? 7.561 14.512 -0.218 1.00 79.95 68 A 1 ATOM 549 C C . ILE A 1 68 ? 6.981 13.111 -0.327 1.00 81.07 68 A 1 ATOM 550 O O . ILE A 1 68 ? 7.453 12.296 -1.116 1.00 81.07 68 A 1 ATOM 551 C CB . ILE A 1 68 ? 6.917 15.480 -1.237 1.00 78.69 68 A 1 ATOM 552 C CG1 . ILE A 1 68 ? 7.223 15.101 -2.703 1.00 72.88 68 A 1 ATOM 553 C CG2 . ILE A 1 68 ? 7.338 16.927 -0.918 1.00 70.93 68 A 1 ATOM 554 C CD1 . ILE A 1 68 ? 6.435 15.930 -3.725 1.00 69.41 68 A 1 ATOM 555 N N . ASN A 1 69 ? 5.921 12.862 0.432 1.00 75.98 69 A 1 ATOM 556 C CA . ASN A 1 69 ? 5.059 11.710 0.208 1.00 77.63 69 A 1 ATOM 557 C C . ASN A 1 69 ? 4.192 12.006 -1.019 1.00 77.00 69 A 1 ATOM 558 O O . ASN A 1 69 ? 3.433 12.968 -1.006 1.00 78.78 69 A 1 ATOM 559 C CB . ASN A 1 69 ? 4.233 11.449 1.478 1.00 77.47 69 A 1 ATOM 560 C CG . ASN A 1 69 ? 3.344 10.222 1.365 1.00 73.94 69 A 1 ATOM 561 O OD1 . ASN A 1 69 ? 3.085 9.692 0.311 1.00 67.60 69 A 1 ATOM 562 N ND2 . ASN A 1 69 ? 2.831 9.735 2.464 1.00 68.30 69 A 1 ATOM 563 N N . ILE A 1 70 ? 4.341 11.213 -2.078 1.00 77.35 70 A 1 ATOM 564 C CA . ILE A 1 70 ? 3.574 11.362 -3.324 1.00 77.06 70 A 1 ATOM 565 C C . ILE A 1 70 ? 2.358 10.442 -3.372 1.00 78.85 70 A 1 ATOM 566 O O . ILE A 1 70 ? 1.437 10.694 -4.142 1.00 78.10 70 A 1 ATOM 567 C CB . ILE A 1 70 ? 4.467 11.159 -4.563 1.00 76.50 70 A 1 ATOM 568 C CG1 . ILE A 1 70 ? 5.106 9.755 -4.601 1.00 73.30 70 A 1 ATOM 569 C CG2 . ILE A 1 70 ? 5.544 12.255 -4.621 1.00 73.46 70 A 1 ATOM 570 C CD1 . ILE A 1 70 ? 5.785 9.438 -5.927 1.00 69.41 70 A 1 ATOM 571 N N . PHE A 1 71 ? 2.344 9.392 -2.552 1.00 78.88 71 A 1 ATOM 572 C CA . PHE A 1 71 ? 1.243 8.444 -2.491 1.00 78.57 71 A 1 ATOM 573 C C . PHE A 1 71 ? 1.221 7.708 -1.150 1.00 80.11 71 A 1 ATOM 574 O O . PHE A 1 71 ? 2.260 7.370 -0.588 1.00 80.55 71 A 1 ATOM 575 C CB . PHE A 1 71 ? 1.369 7.460 -3.657 1.00 76.98 71 A 1 ATOM 576 C CG . PHE A 1 71 ? 0.297 6.396 -3.704 1.00 73.59 71 A 1 ATOM 577 C CD1 . PHE A 1 71 ? 0.622 5.052 -3.434 1.00 69.92 71 A 1 ATOM 578 C CD2 . PHE A 1 71 ? -1.020 6.742 -4.047 1.00 68.70 71 A 1 ATOM 579 C CE1 . PHE A 1 71 ? -0.359 4.060 -3.544 1.00 61.97 71 A 1 ATOM 580 C CE2 . PHE A 1 71 ? -2.002 5.746 -4.154 1.00 64.49 71 A 1 ATOM 581 C CZ . PHE A 1 71 ? -1.670 4.402 -3.911 1.00 65.61 71 A 1 ATOM 582 N N . THR A 1 72 ? 0.030 7.456 -0.639 1.00 78.37 72 A 1 ATOM 583 C CA . THR A 1 72 ? -0.208 6.551 0.487 1.00 77.96 72 A 1 ATOM 584 C C . THR A 1 72 ? -1.424 5.706 0.163 1.00 75.74 72 A 1 ATOM 585 O O . THR A 1 72 ? -2.526 6.243 0.057 1.00 75.73 72 A 1 ATOM 586 C CB . THR A 1 72 ? -0.418 7.311 1.805 1.00 76.40 72 A 1 ATOM 587 O OG1 . THR A 1 72 ? 0.754 8.019 2.153 1.00 71.39 72 A 1 ATOM 588 C CG2 . THR A 1 72 ? -0.715 6.386 2.987 1.00 71.32 72 A 1 ATOM 589 N N . LEU A 1 73 ? -1.219 4.400 0.042 1.00 80.10 73 A 1 ATOM 590 C CA . LEU A 1 73 ? -2.306 3.436 0.061 1.00 77.83 73 A 1 ATOM 591 C C . LEU A 1 73 ? -2.507 2.990 1.507 1.00 77.18 73 A 1 ATOM 592 O O . LEU A 1 73 ? -1.625 2.366 2.096 1.00 74.85 73 A 1 ATOM 593 C CB . LEU A 1 73 ? -1.978 2.252 -0.858 1.00 75.04 73 A 1 ATOM 594 C CG . LEU A 1 73 ? -3.125 1.231 -0.985 1.00 70.54 73 A 1 ATOM 595 C CD1 . LEU A 1 73 ? -4.322 1.809 -1.743 1.00 68.79 73 A 1 ATOM 596 C CD2 . LEU A 1 73 ? -2.632 -0.007 -1.730 1.00 68.19 73 A 1 ATOM 597 N N . ASN A 1 74 ? -3.660 3.311 2.070 1.00 74.71 74 A 1 ATOM 598 C CA . ASN A 1 74 ? -4.122 2.590 3.246 1.00 70.43 74 A 1 ATOM 599 C C . ASN A 1 74 ? -4.650 1.251 2.730 1.00 66.96 74 A 1 ATOM 600 O O . ASN A 1 74 ? -5.579 1.262 1.922 1.00 63.21 74 A 1 ATOM 601 C CB . ASN A 1 74 ? -5.197 3.415 3.965 1.00 68.10 74 A 1 ATOM 602 C CG . ASN A 1 74 ? -4.704 4.779 4.417 1.00 61.35 74 A 1 ATOM 603 O OD1 . ASN A 1 74 ? -3.584 4.974 4.864 1.00 56.61 74 A 1 ATOM 604 N ND2 . ASN A 1 74 ? -5.529 5.790 4.309 1.00 54.64 74 A 1 ATOM 605 N N . GLN A 1 75 ? -4.076 0.131 3.161 1.00 66.70 75 A 1 ATOM 606 C CA . GLN A 1 75 ? -4.693 -1.171 2.915 1.00 62.35 75 A 1 ATOM 607 C C . GLN A 1 75 ? -6.029 -1.212 3.671 1.00 58.97 75 A 1 ATOM 608 O O . GLN A 1 75 ? -6.114 -1.635 4.819 1.00 54.59 75 A 1 ATOM 609 C CB . GLN A 1 75 ? -3.765 -2.335 3.296 1.00 58.99 75 A 1 ATOM 610 C CG . GLN A 1 75 ? -2.605 -2.577 2.305 1.00 53.84 75 A 1 ATOM 611 C CD . GLN A 1 75 ? -1.836 -3.867 2.616 1.00 51.29 75 A 1 ATOM 612 O OE1 . GLN A 1 75 ? -2.011 -4.493 3.645 1.00 48.19 75 A 1 ATOM 613 N NE2 . GLN A 1 75 ? -0.953 -4.318 1.752 1.00 46.53 75 A 1 ATOM 614 N N . ALA A 1 76 ? -7.088 -0.701 3.034 1.00 51.51 76 A 1 ATOM 615 C CA . ALA A 1 76 ? -8.403 -1.301 3.180 1.00 49.64 76 A 1 ATOM 616 C C . ALA A 1 76 ? -8.303 -2.721 2.600 1.00 49.73 76 A 1 ATOM 617 O O . ALA A 1 76 ? -7.393 -2.951 1.798 1.00 46.13 76 A 1 ATOM 618 C CB . ALA A 1 76 ? -9.425 -0.420 2.445 1.00 44.51 76 A 1 ATOM 619 N N . PRO A 1 77 ? -9.168 -3.683 2.993 1.00 47.45 77 A 1 ATOM 620 C CA . PRO A 1 77 ? -9.158 -5.020 2.408 1.00 46.47 77 A 1 ATOM 621 C C . PRO A 1 77 ? -9.069 -4.882 0.884 1.00 47.10 77 A 1 ATOM 622 O O . PRO A 1 77 ? -9.972 -4.360 0.231 1.00 45.39 77 A 1 ATOM 623 C CB . PRO A 1 77 ? -10.440 -5.706 2.896 1.00 43.14 77 A 1 ATOM 624 C CG . PRO A 1 77 ? -11.322 -4.566 3.388 1.00 41.98 77 A 1 ATOM 625 C CD . PRO A 1 77 ? -10.320 -3.507 3.840 1.00 43.40 77 A 1 ATOM 626 N N . THR A 1 78 ? -7.893 -5.210 0.348 1.00 46.89 78 A 1 ATOM 627 C CA . THR A 1 78 ? -7.612 -5.134 -1.078 1.00 47.12 78 A 1 ATOM 628 C C . THR A 1 78 ? -8.462 -6.185 -1.780 1.00 48.71 78 A 1 ATOM 629 O O . THR A 1 78 ? -8.863 -7.171 -1.164 1.00 46.64 78 A 1 ATOM 630 C CB . THR A 1 78 ? -6.112 -5.355 -1.358 1.00 43.39 78 A 1 ATOM 631 O OG1 . THR A 1 78 ? -5.575 -6.338 -0.502 1.00 40.24 78 A 1 ATOM 632 C CG2 . THR A 1 78 ? -5.302 -4.083 -1.128 1.00 38.96 78 A 1 ATOM 633 N N . HIS A 1 79 ? -8.678 -6.018 -3.084 1.00 44.26 79 A 1 ATOM 634 C CA . HIS A 1 79 ? -9.278 -7.051 -3.942 1.00 45.10 79 A 1 ATOM 635 C C . HIS A 1 79 ? -8.655 -8.448 -3.736 1.00 47.12 79 A 1 ATOM 636 O O . HIS A 1 79 ? -9.330 -9.444 -3.964 1.00 45.44 79 A 1 ATOM 637 C CB . HIS A 1 79 ? -9.139 -6.618 -5.411 1.00 41.09 79 A 1 ATOM 638 C CG . HIS A 1 79 ? -10.429 -6.148 -6.036 1.00 37.30 79 A 1 ATOM 639 N ND1 . HIS A 1 79 ? -11.564 -6.905 -6.200 1.00 33.42 79 A 1 ATOM 640 C CD2 . HIS A 1 79 ? -10.688 -4.919 -6.595 1.00 32.29 79 A 1 ATOM 641 C CE1 . HIS A 1 79 ? -12.478 -6.152 -6.838 1.00 30.30 79 A 1 ATOM 642 N NE2 . HIS A 1 79 ? -11.986 -4.934 -7.108 1.00 30.42 79 A 1 ATOM 643 N N . LEU A 1 80 ? -7.407 -8.525 -3.243 1.00 49.16 80 A 1 ATOM 644 C CA . LEU A 1 80 ? -6.755 -9.761 -2.792 1.00 49.33 80 A 1 ATOM 645 C C . LEU A 1 80 ? -7.546 -10.475 -1.689 1.00 51.29 80 A 1 ATOM 646 O O . LEU A 1 80 ? -7.759 -11.673 -1.808 1.00 49.81 80 A 1 ATOM 647 C CB . LEU A 1 80 ? -5.335 -9.427 -2.303 1.00 46.42 80 A 1 ATOM 648 C CG . LEU A 1 80 ? -4.300 -9.469 -3.437 1.00 43.80 80 A 1 ATOM 649 C CD1 . LEU A 1 80 ? -3.172 -8.488 -3.184 1.00 40.53 80 A 1 ATOM 650 C CD2 . LEU A 1 80 ? -3.711 -10.873 -3.558 1.00 40.42 80 A 1 ATOM 651 N N . ASN A 1 81 ? -8.035 -9.765 -0.666 1.00 49.25 81 A 1 ATOM 652 C CA . ASN A 1 81 ? -8.867 -10.377 0.376 1.00 49.61 81 A 1 ATOM 653 C C . ASN A 1 81 ? -10.222 -10.831 -0.178 1.00 50.85 81 A 1 ATOM 654 O O . ASN A 1 81 ? -10.682 -11.910 0.173 1.00 49.61 81 A 1 ATOM 655 C CB . ASN A 1 81 ? -9.065 -9.414 1.563 1.00 47.41 81 A 1 ATOM 656 C CG . ASN A 1 81 ? -8.120 -9.666 2.724 1.00 44.37 81 A 1 ATOM 657 O OD1 . ASN A 1 81 ? -7.278 -10.539 2.721 1.00 41.50 81 A 1 ATOM 658 N ND2 . ASN A 1 81 ? -8.237 -8.901 3.782 1.00 40.75 81 A 1 ATOM 659 N N . ASP A 1 82 ? -10.829 -10.050 -1.078 1.00 50.67 82 A 1 ATOM 660 C CA . ASP A 1 82 ? -12.105 -10.419 -1.701 1.00 50.82 82 A 1 ATOM 661 C C . ASP A 1 82 ? -11.958 -11.596 -2.681 1.00 50.90 82 A 1 ATOM 662 O O . ASP A 1 82 ? -12.884 -12.387 -2.854 1.00 49.30 82 A 1 ATOM 663 C CB . ASP A 1 82 ? -12.706 -9.203 -2.426 1.00 48.63 82 A 1 ATOM 664 C CG . ASP A 1 82 ? -13.132 -8.050 -1.505 1.00 45.49 82 A 1 ATOM 665 O OD1 . ASP A 1 82 ? -13.431 -8.301 -0.318 1.00 43.02 82 A 1 ATOM 666 O OD2 . ASP A 1 82 ? -13.195 -6.911 -2.020 1.00 42.26 82 A 1 ATOM 667 N N . MET A 1 83 ? -10.792 -11.728 -3.337 1.00 47.40 83 A 1 ATOM 668 C CA . MET A 1 83 ? -10.534 -12.770 -4.336 1.00 47.44 83 A 1 ATOM 669 C C . MET A 1 83 ? -9.882 -14.034 -3.766 1.00 49.26 83 A 1 ATOM 670 O O . MET A 1 83 ? -10.091 -15.115 -4.322 1.00 47.64 83 A 1 ATOM 671 C CB . MET A 1 83 ? -9.650 -12.208 -5.457 1.00 43.69 83 A 1 ATOM 672 C CG . MET A 1 83 ? -10.384 -11.186 -6.337 1.00 39.91 83 A 1 ATOM 673 S SD . MET A 1 83 ? -9.397 -10.494 -7.690 1.00 36.56 83 A 1 ATOM 674 C CE . MET A 1 83 ? -9.145 -11.964 -8.719 1.00 33.94 83 A 1 ATOM 675 N N . LEU A 1 84 ? -9.066 -13.897 -2.718 1.00 50.49 84 A 1 ATOM 676 C CA . LEU A 1 84 ? -8.195 -14.961 -2.206 1.00 50.35 84 A 1 ATOM 677 C C . LEU A 1 84 ? -8.275 -15.168 -0.693 1.00 50.83 84 A 1 ATOM 678 O O . LEU A 1 84 ? -7.601 -16.057 -0.190 1.00 48.27 84 A 1 ATOM 679 C CB . LEU A 1 84 ? -6.739 -14.659 -2.598 1.00 47.51 84 A 1 ATOM 680 C CG . LEU A 1 84 ? -6.433 -14.650 -4.098 1.00 45.56 84 A 1 ATOM 681 C CD1 . LEU A 1 84 ? -4.959 -14.289 -4.272 1.00 43.98 84 A 1 ATOM 682 C CD2 . LEU A 1 84 ? -6.705 -16.021 -4.727 1.00 43.18 84 A 1 ATOM 683 N N . GLY A 1 85 ? -9.049 -14.368 0.052 1.00 51.43 85 A 1 ATOM 684 C CA . GLY A 1 85 ? -9.039 -14.426 1.510 1.00 51.97 85 A 1 ATOM 685 C C . GLY A 1 85 ? -7.615 -14.280 2.068 1.00 53.97 85 A 1 ATOM 686 O O . GLY A 1 85 ? -6.808 -13.503 1.558 1.00 52.30 85 A 1 ATOM 687 N N . GLU A 1 86 ? -7.287 -15.035 3.111 1.00 50.18 86 A 1 ATOM 688 C CA . GLU A 1 86 ? -5.961 -15.001 3.754 1.00 51.13 86 A 1 ATOM 689 C C . GLU A 1 86 ? -4.876 -15.828 3.028 1.00 52.58 86 A 1 ATOM 690 O O . GLU A 1 86 ? -3.752 -15.929 3.506 1.00 50.67 86 A 1 ATOM 691 C CB . GLU A 1 86 ? -6.084 -15.416 5.227 1.00 48.06 86 A 1 ATOM 692 C CG . GLU A 1 86 ? -7.017 -14.508 6.041 1.00 43.74 86 A 1 ATOM 693 C CD . GLU A 1 86 ? -6.960 -14.781 7.556 1.00 40.63 86 A 1 ATOM 694 O OE1 . GLU A 1 86 ? -7.439 -13.895 8.302 1.00 39.26 86 A 1 ATOM 695 O OE2 . GLU A 1 86 ? -6.382 -15.814 7.963 1.00 38.12 86 A 1 ATOM 696 N N . ILE A 1 87 ? -5.181 -16.401 1.859 1.00 54.50 87 A 1 ATOM 697 C CA . ILE A 1 87 ? -4.238 -17.270 1.124 1.00 54.00 87 A 1 ATOM 698 C C . ILE A 1 87 ? -2.980 -16.529 0.663 1.00 54.65 87 A 1 ATOM 699 O O . ILE A 1 87 ? -1.931 -17.140 0.504 1.00 51.98 87 A 1 ATOM 700 C CB . ILE A 1 87 ? -4.942 -17.919 -0.082 1.00 50.92 87 A 1 ATOM 701 C CG1 . ILE A 1 87 ? -4.166 -19.161 -0.552 1.00 47.85 87 A 1 ATOM 702 C CG2 . ILE A 1 87 ? -5.121 -16.929 -1.243 1.00 48.16 87 A 1 ATOM 703 C CD1 . ILE A 1 87 ? -4.796 -19.829 -1.782 1.00 45.27 87 A 1 ATOM 704 N N . CYS A 1 88 ? -3.060 -15.202 0.448 1.00 53.05 88 A 1 ATOM 705 C CA . CYS A 1 88 ? -1.914 -14.382 0.053 1.00 53.19 88 A 1 ATOM 706 C C . CYS A 1 88 ? -0.842 -14.274 1.153 1.00 55.19 88 A 1 ATOM 707 O O . CYS A 1 88 ? 0.238 -13.760 0.893 1.00 52.57 88 A 1 ATOM 708 C CB . CYS A 1 88 ? -2.420 -13.000 -0.381 1.00 49.31 88 A 1 ATOM 709 S SG . CYS A 1 88 ? -3.411 -12.208 0.922 1.00 44.00 88 A 1 ATOM 710 N N . TYR A 1 89 ? -1.144 -14.759 2.353 1.00 52.95 89 A 1 ATOM 711 C CA . TYR A 1 89 ? -0.255 -14.708 3.510 1.00 53.82 89 A 1 ATOM 712 C C . TYR A 1 89 ? 0.350 -16.067 3.882 1.00 54.88 89 A 1 ATOM 713 O O . TYR A 1 89 ? 1.024 -16.159 4.910 1.00 52.26 89 A 1 ATOM 714 C CB . TYR A 1 89 ? -1.031 -14.137 4.695 1.00 49.51 89 A 1 ATOM 715 C CG . TYR A 1 89 ? -1.745 -12.825 4.447 1.00 46.57 89 A 1 ATOM 716 C CD1 . TYR A 1 89 ? -1.042 -11.716 3.943 1.00 43.04 89 A 1 ATOM 717 C CD2 . TYR A 1 89 ? -3.120 -12.711 4.738 1.00 41.96 89 A 1 ATOM 718 C CE1 . TYR A 1 89 ? -1.705 -10.492 3.733 1.00 38.45 89 A 1 ATOM 719 C CE2 . TYR A 1 89 ? -3.787 -11.488 4.533 1.00 38.81 89 A 1 ATOM 720 C CZ . TYR A 1 89 ? -3.079 -10.377 4.033 1.00 38.16 89 A 1 ATOM 721 O OH . TYR A 1 89 ? -3.725 -9.200 3.832 1.00 37.14 89 A 1 ATOM 722 N N . VAL A 1 90 ? 0.092 -17.122 3.120 1.00 58.81 90 A 1 ATOM 723 C CA . VAL A 1 90 ? 0.709 -18.437 3.343 1.00 59.70 90 A 1 ATOM 724 C C . VAL A 1 90 ? 1.919 -18.599 2.422 1.00 61.35 90 A 1 ATOM 725 O O . VAL A 1 90 ? 1.875 -18.216 1.255 1.00 58.62 90 A 1 ATOM 726 C CB . VAL A 1 90 ? -0.289 -19.605 3.250 1.00 56.69 90 A 1 ATOM 727 C CG1 . VAL A 1 90 ? -1.433 -19.436 4.260 1.00 52.80 90 A 1 ATOM 728 C CG2 . VAL A 1 90 ? -0.904 -19.807 1.876 1.00 54.64 90 A 1 ATOM 729 N N . ASN A 1 91 ? 3.011 -19.120 2.966 1.00 60.28 91 A 1 ATOM 730 C CA . ASN A 1 91 ? 4.303 -19.143 2.274 1.00 61.00 91 A 1 ATOM 731 C C . ASN A 1 91 ? 4.425 -20.298 1.274 1.00 63.45 91 A 1 ATOM 732 O O . ASN A 1 91 ? 5.169 -20.187 0.305 1.00 60.51 91 A 1 ATOM 733 C CB . ASN A 1 91 ? 5.427 -19.214 3.318 1.00 56.41 91 A 1 ATOM 734 C CG . ASN A 1 91 ? 5.442 -18.005 4.226 1.00 51.72 91 A 1 ATOM 735 O OD1 . ASN A 1 91 ? 5.776 -16.902 3.832 1.00 48.29 91 A 1 ATOM 736 N ND2 . ASN A 1 91 ? 5.088 -18.168 5.475 1.00 46.49 91 A 1 ATOM 737 N N . ASP A 1 92 ? 3.722 -21.397 1.517 1.00 64.22 92 A 1 ATOM 738 C CA . ASP A 1 92 ? 3.754 -22.591 0.681 1.00 67.04 92 A 1 ATOM 739 C C . ASP A 1 92 ? 2.440 -23.384 0.772 1.00 70.66 92 A 1 ATOM 740 O O . ASP A 1 92 ? 1.519 -23.045 1.520 1.00 70.00 92 A 1 ATOM 741 C CB . ASP A 1 92 ? 4.989 -23.446 1.038 1.00 63.22 92 A 1 ATOM 742 C CG . ASP A 1 92 ? 5.004 -23.960 2.482 1.00 57.35 92 A 1 ATOM 743 O OD1 . ASP A 1 92 ? 3.950 -24.458 2.935 1.00 55.14 92 A 1 ATOM 744 O OD2 . ASP A 1 92 ? 6.088 -23.903 3.103 1.00 53.60 92 A 1 ATOM 745 N N . TYR A 1 93 ? 2.341 -24.434 -0.027 1.00 71.17 93 A 1 ATOM 746 C CA . TYR A 1 93 ? 1.142 -25.272 -0.093 1.00 73.54 93 A 1 ATOM 747 C C . TYR A 1 93 ? 0.857 -26.042 1.207 1.00 75.84 93 A 1 ATOM 748 O O . TYR A 1 93 ? -0.302 -26.287 1.522 1.00 74.84 93 A 1 ATOM 749 C CB . TYR A 1 93 ? 1.260 -26.232 -1.281 1.00 72.22 93 A 1 ATOM 750 C CG . TYR A 1 93 ? 0.011 -27.062 -1.501 1.00 71.19 93 A 1 ATOM 751 C CD1 . TYR A 1 93 ? -0.076 -28.368 -0.975 1.00 68.00 93 A 1 ATOM 752 C CD2 . TYR A 1 93 ? -1.097 -26.500 -2.169 1.00 67.15 93 A 1 ATOM 753 C CE1 . TYR A 1 93 ? -1.265 -29.113 -1.124 1.00 63.52 93 A 1 ATOM 754 C CE2 . TYR A 1 93 ? -2.289 -27.239 -2.317 1.00 63.66 93 A 1 ATOM 755 C CZ . TYR A 1 93 ? -2.375 -28.545 -1.791 1.00 64.49 93 A 1 ATOM 756 O OH . TYR A 1 93 ? -3.532 -29.252 -1.916 1.00 63.88 93 A 1 ATOM 757 N N . GLU A 1 94 ? 1.870 -26.401 1.982 1.00 71.62 94 A 1 ATOM 758 C CA . GLU A 1 94 ? 1.692 -27.121 3.254 1.00 73.43 94 A 1 ATOM 759 C C . GLU A 1 94 ? 1.094 -26.192 4.322 1.00 74.50 94 A 1 ATOM 760 O O . GLU A 1 94 ? 0.170 -26.575 5.044 1.00 73.14 94 A 1 ATOM 761 C CB . GLU A 1 94 ? 3.050 -27.713 3.682 1.00 73.02 94 A 1 ATOM 762 C CG . GLU A 1 94 ? 2.952 -28.604 4.938 1.00 66.91 94 A 1 ATOM 763 C CD . GLU A 1 94 ? 4.276 -29.304 5.321 1.00 62.80 94 A 1 ATOM 764 O OE1 . GLU A 1 94 ? 4.282 -29.996 6.365 1.00 57.33 94 A 1 ATOM 765 O OE2 . GLU A 1 94 ? 5.275 -29.211 4.570 1.00 57.11 94 A 1 ATOM 766 N N . GLU A 1 95 ? 1.555 -24.937 4.376 1.00 70.61 95 A 1 ATOM 767 C CA . GLU A 1 95 ? 0.943 -23.907 5.220 1.00 70.46 95 A 1 ATOM 768 C C . GLU A 1 95 ? -0.499 -23.615 4.775 1.00 71.15 95 A 1 ATOM 769 O O . GLU A 1 95 ? -1.388 -23.499 5.618 1.00 69.98 95 A 1 ATOM 770 C CB . GLU A 1 95 ? 1.804 -22.627 5.222 1.00 68.53 95 A 1 ATOM 771 C CG . GLU A 1 95 ? 1.347 -21.628 6.309 1.00 62.36 95 A 1 ATOM 772 C CD . GLU A 1 95 ? 2.113 -20.291 6.345 1.00 60.61 95 A 1 ATOM 773 O OE1 . GLU A 1 95 ? 1.730 -19.405 7.161 1.00 56.81 95 A 1 ATOM 774 O OE2 . GLU A 1 95 ? 3.069 -20.096 5.567 1.00 56.25 95 A 1 ATOM 775 N N . PHE A 1 96 ? -0.755 -23.564 3.465 1.00 72.25 96 A 1 ATOM 776 C CA . PHE A 1 96 ? -2.097 -23.396 2.908 1.00 72.46 96 A 1 ATOM 777 C C . PHE A 1 96 ? -3.044 -24.540 3.289 1.00 73.25 96 A 1 ATOM 778 O O . PHE A 1 96 ? -4.168 -24.276 3.716 1.00 72.89 96 A 1 ATOM 779 C CB . PHE A 1 96 ? -2.004 -23.265 1.382 1.00 71.62 96 A 1 ATOM 780 C CG . PHE A 1 96 ? -3.346 -23.351 0.681 1.00 69.92 96 A 1 ATOM 781 C CD1 . PHE A 1 96 ? -3.661 -24.465 -0.119 1.00 67.65 96 A 1 ATOM 782 C CD2 . PHE A 1 96 ? -4.299 -22.338 0.872 1.00 66.19 96 A 1 ATOM 783 C CE1 . PHE A 1 96 ? -4.917 -24.556 -0.740 1.00 63.94 96 A 1 ATOM 784 C CE2 . PHE A 1 96 ? -5.558 -22.431 0.257 1.00 64.09 96 A 1 ATOM 785 C CZ . PHE A 1 96 ? -5.867 -23.538 -0.552 1.00 64.00 96 A 1 ATOM 786 N N . GLU A 1 97 ? -2.616 -25.785 3.161 1.00 73.74 97 A 1 ATOM 787 C CA . GLU A 1 97 ? -3.414 -26.960 3.533 1.00 74.03 97 A 1 ATOM 788 C C . GLU A 1 97 ? -3.769 -26.931 5.028 1.00 74.04 97 A 1 ATOM 789 O O . GLU A 1 97 ? -4.949 -27.011 5.380 1.00 72.89 97 A 1 ATOM 790 C CB . GLU A 1 97 ? -2.650 -28.229 3.120 1.00 73.70 97 A 1 ATOM 791 C CG . GLU A 1 97 ? -3.459 -29.525 3.321 1.00 67.97 97 A 1 ATOM 792 C CD . GLU A 1 97 ? -2.753 -30.735 2.683 1.00 67.47 97 A 1 ATOM 793 O OE1 . GLU A 1 97 ? -3.387 -31.421 1.851 1.00 62.21 97 A 1 ATOM 794 O OE2 . GLU A 1 97 ? -1.558 -30.959 2.973 1.00 61.71 97 A 1 ATOM 795 N N . ASN A 1 98 ? -2.788 -26.670 5.890 1.00 71.96 98 A 1 ATOM 796 C CA . ASN A 1 98 ? -3.007 -26.521 7.333 1.00 72.06 98 A 1 ATOM 797 C C . ASN A 1 98 ? -3.956 -25.354 7.666 1.00 71.87 98 A 1 ATOM 798 O O . ASN A 1 98 ? -4.802 -25.455 8.557 1.00 70.15 98 A 1 ATOM 799 C CB . ASN A 1 98 ? -1.650 -26.280 8.016 1.00 72.36 98 A 1 ATOM 800 C CG . ASN A 1 98 ? -0.791 -27.526 8.102 1.00 68.57 98 A 1 ATOM 801 O OD1 . ASN A 1 98 ? -1.214 -28.575 8.559 1.00 66.07 98 A 1 ATOM 802 N ND2 . ASN A 1 98 ? 0.461 -27.438 7.741 1.00 64.36 98 A 1 ATOM 803 N N . TRP A 1 99 ? -3.834 -24.223 6.959 1.00 72.35 99 A 1 ATOM 804 C CA . TRP A 1 99 ? -4.727 -23.079 7.125 1.00 70.62 99 A 1 ATOM 805 C C . TRP A 1 99 ? -6.164 -23.428 6.709 1.00 69.62 99 A 1 ATOM 806 O O . TRP A 1 99 ? -7.096 -23.162 7.462 1.00 68.10 99 A 1 ATOM 807 C CB . TRP A 1 99 ? -4.163 -21.888 6.350 1.00 69.28 99 A 1 ATOM 808 C CG . TRP A 1 99 ? -5.058 -20.691 6.336 1.00 65.75 99 A 1 ATOM 809 C CD1 . TRP A 1 99 ? -5.188 -19.782 7.327 1.00 61.15 99 A 1 ATOM 810 C CD2 . TRP A 1 99 ? -5.996 -20.293 5.295 1.00 62.07 99 A 1 ATOM 811 N NE1 . TRP A 1 99 ? -6.133 -18.841 6.975 1.00 58.29 99 A 1 ATOM 812 C CE2 . TRP A 1 99 ? -6.667 -19.112 5.728 1.00 59.67 99 A 1 ATOM 813 C CE3 . TRP A 1 99 ? -6.349 -20.812 4.032 1.00 56.77 99 A 1 ATOM 814 C CZ2 . TRP A 1 99 ? -7.640 -18.472 4.945 1.00 58.10 99 A 1 ATOM 815 C CZ3 . TRP A 1 99 ? -7.322 -20.181 3.239 1.00 55.66 99 A 1 ATOM 816 C CH2 . TRP A 1 99 ? -7.967 -19.012 3.691 1.00 55.53 99 A 1 ATOM 817 N N . CYS A 1 100 ? -6.342 -24.117 5.577 1.00 69.59 100 A 1 ATOM 818 C CA . CYS A 1 100 ? -7.642 -24.612 5.131 1.00 69.28 100 A 1 ATOM 819 C C . CYS A 1 100 ? -8.293 -25.558 6.154 1.00 69.42 100 A 1 ATOM 820 O O . CYS A 1 100 ? -9.497 -25.473 6.376 1.00 68.25 100 A 1 ATOM 821 C CB . CYS A 1 100 ? -7.483 -25.336 3.787 1.00 67.81 100 A 1 ATOM 822 S SG . CYS A 1 100 ? -7.229 -24.148 2.435 1.00 62.83 100 A 1 ATOM 823 N N . GLU A 1 101 ? -7.530 -26.441 6.790 1.00 71.18 101 A 1 ATOM 824 C CA . GLU A 1 101 ? -8.045 -27.344 7.829 1.00 71.14 101 A 1 ATOM 825 C C . GLU A 1 101 ? -8.538 -26.590 9.076 1.00 70.39 101 A 1 ATOM 826 O O . GLU A 1 101 ? -9.538 -26.983 9.677 1.00 67.21 101 A 1 ATOM 827 C CB . GLU A 1 101 ? -6.971 -28.357 8.243 1.00 70.23 101 A 1 ATOM 828 C CG . GLU A 1 101 ? -6.717 -29.435 7.172 1.00 65.79 101 A 1 ATOM 829 C CD . GLU A 1 101 ? -5.770 -30.550 7.649 1.00 63.29 101 A 1 ATOM 830 O OE1 . GLU A 1 101 ? -5.709 -31.581 6.938 1.00 59.31 101 A 1 ATOM 831 O OE2 . GLU A 1 101 ? -5.203 -30.438 8.762 1.00 58.88 101 A 1 ATOM 832 N N . ASN A 1 102 ? -7.860 -25.503 9.453 1.00 68.19 102 A 1 ATOM 833 C CA . ASN A 1 102 ? -8.209 -24.706 10.630 1.00 68.03 102 A 1 ATOM 834 C C . ASN A 1 102 ? -9.387 -23.746 10.381 1.00 67.05 102 A 1 ATOM 835 O O . ASN A 1 102 ? -10.217 -23.554 11.270 1.00 64.47 102 A 1 ATOM 836 C CB . ASN A 1 102 ? -6.955 -23.948 11.092 1.00 68.09 102 A 1 ATOM 837 C CG . ASN A 1 102 ? -5.915 -24.871 11.709 1.00 65.46 102 A 1 ATOM 838 O OD1 . ASN A 1 102 ? -6.183 -25.675 12.592 1.00 62.81 102 A 1 ATOM 839 N ND2 . ASN A 1 102 ? -4.680 -24.772 11.294 1.00 61.81 102 A 1 ATOM 840 N N . GLU A 1 103 ? -9.480 -23.169 9.178 1.00 67.90 103 A 1 ATOM 841 C CA . GLU A 1 103 ? -10.472 -22.144 8.819 1.00 66.09 103 A 1 ATOM 842 C C . GLU A 1 103 ? -11.695 -22.700 8.069 1.00 64.52 103 A 1 ATOM 843 O O . GLU A 1 103 ? -12.526 -21.938 7.572 1.00 60.16 103 A 1 ATOM 844 C CB . GLU A 1 103 ? -9.784 -21.019 8.031 1.00 63.85 103 A 1 ATOM 845 C CG . GLU A 1 103 ? -8.763 -20.221 8.858 1.00 59.38 103 A 1 ATOM 846 C CD . GLU A 1 103 ? -9.386 -19.536 10.094 1.00 57.19 103 A 1 ATOM 847 O OE1 . GLU A 1 103 ? -8.687 -19.464 11.132 1.00 53.74 103 A 1 ATOM 848 O OE2 . GLU A 1 103 ? -10.572 -19.119 10.019 1.00 52.63 103 A 1 ATOM 849 N N . TRP A 1 104 ? -11.851 -24.015 8.005 1.00 64.71 104 A 1 ATOM 850 C CA . TRP A 1 104 ? -12.819 -24.714 7.140 1.00 62.59 104 A 1 ATOM 851 C C . TRP A 1 104 ? -14.272 -24.201 7.223 1.00 63.25 104 A 1 ATOM 852 O O . TRP A 1 104 ? -14.991 -24.256 6.224 1.00 58.82 104 A 1 ATOM 853 C CB . TRP A 1 104 ? -12.776 -26.212 7.456 1.00 58.30 104 A 1 ATOM 854 C CG . TRP A 1 104 ? -13.400 -26.593 8.765 1.00 54.20 104 A 1 ATOM 855 C CD1 . TRP A 1 104 ? -12.795 -26.569 9.973 1.00 48.79 104 A 1 ATOM 856 C CD2 . TRP A 1 104 ? -14.776 -27.005 9.018 1.00 48.90 104 A 1 ATOM 857 N NE1 . TRP A 1 104 ? -13.693 -26.931 10.958 1.00 42.58 104 A 1 ATOM 858 C CE2 . TRP A 1 104 ? -14.936 -27.212 10.423 1.00 45.22 104 A 1 ATOM 859 C CE3 . TRP A 1 104 ? -15.906 -27.214 8.205 1.00 43.62 104 A 1 ATOM 860 C CZ2 . TRP A 1 104 ? -16.167 -27.593 10.989 1.00 42.21 104 A 1 ATOM 861 C CZ3 . TRP A 1 104 ? -17.145 -27.599 8.758 1.00 41.76 104 A 1 ATOM 862 C CH2 . TRP A 1 104 ? -17.275 -27.785 10.146 1.00 40.63 104 A 1 ATOM 863 N N . GLU A 1 105 ? -14.713 -23.689 8.379 1.00 62.02 105 A 1 ATOM 864 C CA . GLU A 1 105 ? -16.075 -23.167 8.573 1.00 62.82 105 A 1 ATOM 865 C C . GLU A 1 105 ? -16.331 -21.841 7.832 1.00 62.87 105 A 1 ATOM 866 O O . GLU A 1 105 ? -17.479 -21.533 7.504 1.00 59.43 105 A 1 ATOM 867 C CB . GLU A 1 105 ? -16.378 -22.978 10.073 1.00 61.85 105 A 1 ATOM 868 C CG . GLU A 1 105 ? -16.362 -24.296 10.860 1.00 57.37 105 A 1 ATOM 869 C CD . GLU A 1 105 ? -16.922 -24.205 12.290 1.00 53.53 105 A 1 ATOM 870 O OE1 . GLU A 1 105 ? -17.232 -25.283 12.856 1.00 49.77 105 A 1 ATOM 871 O OE2 . GLU A 1 105 ? -17.075 -23.085 12.821 1.00 51.25 105 A 1 ATOM 872 N N . ASN A 1 106 ? -15.282 -21.067 7.560 1.00 62.81 106 A 1 ATOM 873 C CA . ASN A 1 106 ? -15.347 -19.730 6.969 1.00 62.73 106 A 1 ATOM 874 C C . ASN A 1 106 ? -14.886 -19.700 5.502 1.00 62.41 106 A 1 ATOM 875 O O . ASN A 1 106 ? -14.924 -18.643 4.868 1.00 60.06 106 A 1 ATOM 876 C CB . ASN A 1 106 ? -14.517 -18.774 7.836 1.00 60.81 106 A 1 ATOM 877 C CG . ASN A 1 106 ? -15.027 -18.665 9.261 1.00 56.20 106 A 1 ATOM 878 O OD1 . ASN A 1 106 ? -16.215 -18.509 9.526 1.00 53.58 106 A 1 ATOM 879 N ND2 . ASN A 1 106 ? -14.141 -18.727 10.228 1.00 51.84 106 A 1 ATOM 880 N N . LEU A 1 107 ? -14.437 -20.836 4.958 1.00 62.59 107 A 1 ATOM 881 C CA . LEU A 1 107 ? -13.870 -20.898 3.613 1.00 62.37 107 A 1 ATOM 882 C C . LEU A 1 107 ? -14.938 -21.016 2.523 1.00 62.21 107 A 1 ATOM 883 O O . LEU A 1 107 ? -15.780 -21.918 2.532 1.00 59.20 107 A 1 ATOM 884 C CB . LEU A 1 107 ? -12.863 -22.055 3.515 1.00 60.06 107 A 1 ATOM 885 C CG . LEU A 1 107 ? -11.557 -21.808 4.288 1.00 57.19 107 A 1 ATOM 886 C CD1 . LEU A 1 107 ? -10.640 -23.025 4.154 1.00 55.33 107 A 1 ATOM 887 C CD2 . LEU A 1 107 ? -10.801 -20.592 3.765 1.00 54.65 107 A 1 ATOM 888 N N . ASP A 1 108 ? -14.807 -20.167 1.494 1.00 60.30 108 A 1 ATOM 889 C CA . ASP A 1 108 ? -15.439 -20.422 0.199 1.00 60.65 108 A 1 ATOM 890 C C . ASP A 1 108 ? -14.643 -21.502 -0.562 1.00 61.43 108 A 1 ATOM 891 O O . ASP A 1 108 ? -13.765 -21.231 -1.389 1.00 58.61 108 A 1 ATOM 892 C CB . ASP A 1 108 ? -15.586 -19.129 -0.613 1.00 57.95 108 A 1 ATOM 893 C CG . ASP A 1 108 ? -16.179 -19.410 -2.003 1.00 53.27 108 A 1 ATOM 894 O OD1 . ASP A 1 108 ? -16.795 -20.485 -2.195 1.00 50.90 108 A 1 ATOM 895 O OD2 . ASP A 1 108 ? -15.940 -18.576 -2.901 1.00 49.91 108 A 1 ATOM 896 N N . TRP A 1 109 ? -14.969 -22.774 -0.262 1.00 57.93 109 A 1 ATOM 897 C CA . TRP A 1 109 ? -14.285 -23.929 -0.840 1.00 57.70 109 A 1 ATOM 898 C C . TRP A 1 109 ? -14.281 -23.952 -2.372 1.00 59.42 109 A 1 ATOM 899 O O . TRP A 1 109 ? -13.340 -24.485 -2.960 1.00 55.59 109 A 1 ATOM 900 C CB . TRP A 1 109 ? -14.909 -25.211 -0.285 1.00 53.08 109 A 1 ATOM 901 C CG . TRP A 1 109 ? -14.461 -25.529 1.102 1.00 51.73 109 A 1 ATOM 902 C CD1 . TRP A 1 109 ? -15.187 -25.421 2.235 1.00 46.96 109 A 1 ATOM 903 C CD2 . TRP A 1 109 ? -13.134 -25.975 1.514 1.00 47.92 109 A 1 ATOM 904 N NE1 . TRP A 1 109 ? -14.410 -25.774 3.320 1.00 43.57 109 A 1 ATOM 905 C CE2 . TRP A 1 109 ? -13.127 -26.116 2.930 1.00 45.36 109 A 1 ATOM 906 C CE3 . TRP A 1 109 ? -11.928 -26.260 0.829 1.00 45.65 109 A 1 ATOM 907 C CZ2 . TRP A 1 109 ? -11.983 -26.517 3.636 1.00 45.80 109 A 1 ATOM 908 C CZ3 . TRP A 1 109 ? -10.775 -26.664 1.526 1.00 44.87 109 A 1 ATOM 909 C CH2 . TRP A 1 109 ? -10.799 -26.792 2.928 1.00 44.39 109 A 1 ATOM 910 N N . ASP A 1 110 ? -15.280 -23.370 -3.039 1.00 57.83 110 A 1 ATOM 911 C CA . ASP A 1 110 ? -15.308 -23.346 -4.505 1.00 60.13 110 A 1 ATOM 912 C C . ASP A 1 110 ? -14.186 -22.463 -5.073 1.00 61.12 110 A 1 ATOM 913 O O . ASP A 1 110 ? -13.579 -22.822 -6.087 1.00 58.83 110 A 1 ATOM 914 C CB . ASP A 1 110 ? -16.702 -22.934 -5.003 1.00 58.99 110 A 1 ATOM 915 C CG . ASP A 1 110 ? -17.758 -24.041 -4.817 1.00 55.58 110 A 1 ATOM 916 O OD1 . ASP A 1 110 ? -17.372 -25.246 -4.766 1.00 53.18 110 A 1 ATOM 917 O OD2 . ASP A 1 110 ? -18.962 -23.722 -4.803 1.00 51.13 110 A 1 ATOM 918 N N . SER A 1 111 ? -13.831 -21.381 -4.376 1.00 61.47 111 A 1 ATOM 919 C CA . SER A 1 111 ? -12.695 -20.523 -4.724 1.00 61.38 111 A 1 ATOM 920 C C . SER A 1 111 ? -11.334 -21.200 -4.497 1.00 63.02 111 A 1 ATOM 921 O O . SER A 1 111 ? -10.393 -20.943 -5.254 1.00 60.92 111 A 1 ATOM 922 C CB . SER A 1 111 ? -12.788 -19.211 -3.939 1.00 57.72 111 A 1 ATOM 923 O OG . SER A 1 111 ? -13.866 -18.438 -4.455 1.00 51.80 111 A 1 ATOM 924 N N . TYR A 1 112 ? -11.226 -22.110 -3.520 1.00 62.35 112 A 1 ATOM 925 C CA . TYR A 1 112 ? -9.953 -22.759 -3.150 1.00 63.56 112 A 1 ATOM 926 C C . TYR A 1 112 ? -9.696 -24.119 -3.812 1.00 65.38 112 A 1 ATOM 927 O O . TYR A 1 112 ? -8.544 -24.540 -3.916 1.00 63.95 112 A 1 ATOM 928 C CB . TYR A 1 112 ? -9.852 -22.844 -1.625 1.00 60.78 112 A 1 ATOM 929 C CG . TYR A 1 112 ? -9.816 -21.481 -0.962 1.00 58.20 112 A 1 ATOM 930 C CD1 . TYR A 1 112 ? -8.703 -20.640 -1.137 1.00 55.27 112 A 1 ATOM 931 C CD2 . TYR A 1 112 ? -10.914 -21.030 -0.211 1.00 54.09 112 A 1 ATOM 932 C CE1 . TYR A 1 112 ? -8.697 -19.348 -0.570 1.00 50.97 112 A 1 ATOM 933 C CE2 . TYR A 1 112 ? -10.914 -19.742 0.354 1.00 50.82 112 A 1 ATOM 934 C CZ . TYR A 1 112 ? -9.806 -18.898 0.171 1.00 49.77 112 A 1 ATOM 935 O OH . TYR A 1 112 ? -9.811 -17.649 0.701 1.00 49.09 112 A 1 ATOM 936 N N . LYS A 1 113 ? -10.717 -24.789 -4.354 1.00 63.92 113 A 1 ATOM 937 C CA . LYS A 1 113 ? -10.586 -26.076 -5.082 1.00 64.54 113 A 1 ATOM 938 C C . LYS A 1 113 ? -9.597 -26.050 -6.256 1.00 65.18 113 A 1 ATOM 939 O O . LYS A 1 113 ? -9.149 -27.110 -6.686 1.00 62.82 113 A 1 ATOM 940 C CB . LYS A 1 113 ? -11.959 -26.490 -5.622 1.00 62.00 113 A 1 ATOM 941 C CG . LYS A 1 113 ? -12.781 -27.268 -4.589 1.00 57.82 113 A 1 ATOM 942 C CD . LYS A 1 113 ? -14.220 -27.407 -5.101 1.00 55.89 113 A 1 ATOM 943 C CE . LYS A 1 113 ? -15.141 -27.921 -3.992 1.00 50.87 113 A 1 ATOM 944 N NZ . LYS A 1 113 ? -16.560 -27.725 -4.360 1.00 44.93 113 A 1 ATOM 945 N N . LYS A 1 114 ? -9.302 -24.865 -6.808 1.00 66.72 114 A 1 ATOM 946 C CA . LYS A 1 114 ? -8.348 -24.699 -7.912 1.00 66.60 114 A 1 ATOM 947 C C . LYS A 1 114 ? -6.885 -24.877 -7.486 1.00 68.01 114 A 1 ATOM 948 O O . LYS A 1 114 ? -6.044 -25.105 -8.350 1.00 65.37 114 A 1 ATOM 949 C CB . LYS A 1 114 ? -8.597 -23.342 -8.596 1.00 63.44 114 A 1 ATOM 950 C CG . LYS A 1 114 ? -8.199 -22.141 -7.717 1.00 58.87 114 A 1 ATOM 951 C CD . LYS A 1 114 ? -8.604 -20.796 -8.342 1.00 57.54 114 A 1 ATOM 952 C CE . LYS A 1 114 ? -8.195 -19.669 -7.387 1.00 52.32 114 A 1 ATOM 953 N NZ . LYS A 1 114 ? -8.481 -18.307 -7.915 1.00 48.16 114 A 1 ATOM 954 N N . PHE A 1 115 ? -6.587 -24.770 -6.202 1.00 68.25 115 A 1 ATOM 955 C CA . PHE A 1 115 ? -5.233 -24.893 -5.674 1.00 68.16 115 A 1 ATOM 956 C C . PHE A 1 115 ? -4.886 -26.351 -5.373 1.00 68.73 115 A 1 ATOM 957 O O . PHE A 1 115 ? -5.668 -27.090 -4.776 1.00 67.12 115 A 1 ATOM 958 C CB . PHE A 1 115 ? -5.058 -24.019 -4.429 1.00 66.14 115 A 1 ATOM 959 C CG . PHE A 1 115 ? -5.220 -22.531 -4.690 1.00 64.72 115 A 1 ATOM 960 C CD1 . PHE A 1 115 ? -4.133 -21.777 -5.162 1.00 62.54 115 A 1 ATOM 961 C CD2 . PHE A 1 115 ? -6.455 -21.901 -4.454 1.00 61.31 115 A 1 ATOM 962 C CE1 . PHE A 1 115 ? -4.279 -20.393 -5.386 1.00 58.83 115 A 1 ATOM 963 C CE2 . PHE A 1 115 ? -6.601 -20.519 -4.682 1.00 59.05 115 A 1 ATOM 964 C CZ . PHE A 1 115 ? -5.512 -19.764 -5.144 1.00 58.56 115 A 1 ATOM 965 N N . ASN A 1 116 ? -3.694 -26.748 -5.786 1.00 69.86 116 A 1 ATOM 966 C CA . ASN A 1 116 ? -3.058 -28.013 -5.448 1.00 70.19 116 A 1 ATOM 967 C C . ASN A 1 116 ? -1.544 -27.795 -5.314 1.00 71.43 116 A 1 ATOM 968 O O . ASN A 1 116 ? -1.037 -26.708 -5.594 1.00 70.18 116 A 1 ATOM 969 C CB . ASN A 1 116 ? -3.436 -29.069 -6.502 1.00 67.76 116 A 1 ATOM 970 C CG . ASN A 1 116 ? -2.934 -28.746 -7.895 1.00 64.24 116 A 1 ATOM 971 O OD1 . ASN A 1 116 ? -1.802 -28.365 -8.113 1.00 61.28 116 A 1 ATOM 972 N ND2 . ASN A 1 116 ? -3.761 -28.888 -8.899 1.00 59.31 116 A 1 ATOM 973 N N . LYS A 1 117 ? -0.827 -28.835 -4.900 1.00 71.24 117 A 1 ATOM 974 C CA . LYS A 1 117 ? 0.611 -28.741 -4.625 1.00 71.59 117 A 1 ATOM 975 C C . LYS A 1 117 ? 1.441 -28.309 -5.839 1.00 72.35 117 A 1 ATOM 976 O O . LYS A 1 117 ? 2.477 -27.677 -5.673 1.00 70.51 117 A 1 ATOM 977 C CB . LYS A 1 117 ? 1.070 -30.088 -4.059 1.00 70.19 117 A 1 ATOM 978 C CG . LYS A 1 117 ? 2.509 -30.018 -3.555 1.00 65.67 117 A 1 ATOM 979 C CD . LYS A 1 117 ? 2.856 -31.274 -2.761 1.00 64.13 117 A 1 ATOM 980 C CE . LYS A 1 117 ? 4.258 -31.091 -2.183 1.00 58.74 117 A 1 ATOM 981 N NZ . LYS A 1 117 ? 4.536 -32.096 -1.133 1.00 51.97 117 A 1 ATOM 982 N N . GLU A 1 118 ? 0.992 -28.655 -7.047 1.00 71.71 118 A 1 ATOM 983 C CA . GLU A 1 118 ? 1.725 -28.404 -8.286 1.00 72.65 118 A 1 ATOM 984 C C . GLU A 1 118 ? 1.501 -26.990 -8.836 1.00 74.07 118 A 1 ATOM 985 O O . GLU A 1 118 ? 2.340 -26.504 -9.585 1.00 70.45 118 A 1 ATOM 986 C CB . GLU A 1 118 ? 1.331 -29.442 -9.354 1.00 71.20 118 A 1 ATOM 987 C CG . GLU A 1 118 ? 1.643 -30.904 -8.983 1.00 65.63 118 A 1 ATOM 988 C CD . GLU A 1 118 ? 0.683 -31.570 -7.980 1.00 60.70 118 A 1 ATOM 989 O OE1 . GLU A 1 118 ? 1.062 -32.640 -7.447 1.00 56.07 118 A 1 ATOM 990 O OE2 . GLU A 1 118 ? -0.426 -31.038 -7.752 1.00 56.56 118 A 1 ATOM 991 N N . ASN A 1 119 ? 0.371 -26.345 -8.514 1.00 72.64 119 A 1 ATOM 992 C CA . ASN A 1 119 ? -0.003 -25.058 -9.105 1.00 71.48 119 A 1 ATOM 993 C C . ASN A 1 119 ? -0.151 -23.901 -8.101 1.00 72.19 119 A 1 ATOM 994 O O . ASN A 1 119 ? -0.429 -22.779 -8.521 1.00 69.49 119 A 1 ATOM 995 C CB . ASN A 1 119 ? -1.255 -25.257 -9.980 1.00 69.40 119 A 1 ATOM 996 C CG . ASN A 1 119 ? -2.550 -25.459 -9.203 1.00 65.86 119 A 1 ATOM 997 O OD1 . ASN A 1 119 ? -2.648 -25.349 -7.996 1.00 62.23 119 A 1 ATOM 998 N ND2 . ASN A 1 119 ? -3.624 -25.763 -9.894 1.00 62.62 119 A 1 ATOM 999 N N . PHE A 1 120 ? -0.004 -24.168 -6.807 1.00 72.37 120 A 1 ATOM 1000 C CA . PHE A 1 120 ? -0.254 -23.193 -5.748 1.00 71.08 120 A 1 ATOM 1001 C C . PHE A 1 120 ? 0.533 -21.890 -5.935 1.00 70.10 120 A 1 ATOM 1002 O O . PHE A 1 120 ? -0.072 -20.820 -6.001 1.00 68.01 120 A 1 ATOM 1003 C CB . PHE A 1 120 ? 0.059 -23.831 -4.390 1.00 70.19 120 A 1 ATOM 1004 C CG . PHE A 1 120 ? -0.076 -22.865 -3.236 1.00 68.53 120 A 1 ATOM 1005 C CD1 . PHE A 1 120 ? 1.061 -22.216 -2.719 1.00 66.62 120 A 1 ATOM 1006 C CD2 . PHE A 1 120 ? -1.348 -22.573 -2.720 1.00 65.06 120 A 1 ATOM 1007 C CE1 . PHE A 1 120 ? 0.923 -21.279 -1.686 1.00 62.32 120 A 1 ATOM 1008 C CE2 . PHE A 1 120 ? -1.485 -21.636 -1.688 1.00 62.39 120 A 1 ATOM 1009 C CZ . PHE A 1 120 ? -0.351 -20.986 -1.172 1.00 62.30 120 A 1 ATOM 1010 N N . GLU A 1 121 ? 1.854 -21.995 -6.080 1.00 71.96 121 A 1 ATOM 1011 C CA . GLU A 1 121 ? 2.741 -20.832 -6.229 1.00 71.16 121 A 1 ATOM 1012 C C . GLU A 1 121 ? 2.393 -20.022 -7.487 1.00 71.33 121 A 1 ATOM 1013 O O . GLU A 1 121 ? 2.181 -18.814 -7.405 1.00 69.10 121 A 1 ATOM 1014 C CB . GLU A 1 121 ? 4.208 -21.293 -6.269 1.00 69.07 121 A 1 ATOM 1015 C CG . GLU A 1 121 ? 4.688 -21.890 -4.929 1.00 62.77 121 A 1 ATOM 1016 C CD . GLU A 1 121 ? 6.140 -22.412 -4.954 1.00 59.98 121 A 1 ATOM 1017 O OE1 . GLU A 1 121 ? 6.584 -22.933 -3.906 1.00 54.87 121 A 1 ATOM 1018 O OE2 . GLU A 1 121 ? 6.789 -22.347 -6.025 1.00 53.68 121 A 1 ATOM 1019 N N . GLU A 1 122 ? 2.215 -20.687 -8.636 1.00 71.55 122 A 1 ATOM 1020 C CA . GLU A 1 122 ? 1.887 -20.026 -9.909 1.00 71.10 122 A 1 ATOM 1021 C C . GLU A 1 122 ? 0.548 -19.269 -9.836 1.00 71.00 122 A 1 ATOM 1022 O O . GLU A 1 122 ? 0.413 -18.154 -10.346 1.00 69.92 122 A 1 ATOM 1023 C CB . GLU A 1 122 ? 1.833 -21.082 -11.032 1.00 71.16 122 A 1 ATOM 1024 C CG . GLU A 1 122 ? 1.713 -20.446 -12.429 1.00 65.05 122 A 1 ATOM 1025 C CD . GLU A 1 122 ? 1.332 -21.424 -13.556 1.00 63.95 122 A 1 ATOM 1026 O OE1 . GLU A 1 122 ? 0.782 -20.922 -14.569 1.00 58.72 122 A 1 ATOM 1027 O OE2 . GLU A 1 122 ? 1.508 -22.649 -13.411 1.00 59.93 122 A 1 ATOM 1028 N N . ILE A 1 123 ? -0.472 -19.863 -9.217 1.00 69.70 123 A 1 ATOM 1029 C CA . ILE A 1 123 ? -1.784 -19.221 -9.083 1.00 67.58 123 A 1 ATOM 1030 C C . ILE A 1 123 ? -1.724 -18.066 -8.079 1.00 67.43 123 A 1 ATOM 1031 O O . ILE A 1 123 ? -2.321 -17.018 -8.334 1.00 65.71 123 A 1 ATOM 1032 C CB . ILE A 1 123 ? -2.880 -20.251 -8.724 1.00 65.71 123 A 1 ATOM 1033 C CG1 . ILE A 1 123 ? -3.085 -21.253 -9.887 1.00 61.23 123 A 1 ATOM 1034 C CG2 . ILE A 1 123 ? -4.218 -19.543 -8.443 1.00 60.86 123 A 1 ATOM 1035 C CD1 . ILE A 1 123 ? -4.024 -22.424 -9.547 1.00 57.14 123 A 1 ATOM 1036 N N . ALA A 1 124 ? -1.003 -18.214 -6.967 1.00 71.27 124 A 1 ATOM 1037 C CA . ALA A 1 124 ? -0.814 -17.148 -5.987 1.00 70.72 124 A 1 ATOM 1038 C C . ALA A 1 124 ? -0.099 -15.938 -6.614 1.00 71.41 124 A 1 ATOM 1039 O O . ALA A 1 124 ? -0.604 -14.816 -6.521 1.00 70.36 124 A 1 ATOM 1040 C CB . ALA A 1 124 ? -0.062 -17.715 -4.774 1.00 69.11 124 A 1 ATOM 1041 N N . GLU A 1 125 ? 1.000 -16.161 -7.336 1.00 72.24 125 A 1 ATOM 1042 C CA . GLU A 1 125 ? 1.730 -15.110 -8.059 1.00 72.23 125 A 1 ATOM 1043 C C . GLU A 1 125 ? 0.845 -14.400 -9.089 1.00 72.42 125 A 1 ATOM 1044 O O . GLU A 1 125 ? 0.787 -13.169 -9.115 1.00 71.01 125 A 1 ATOM 1045 C CB . GLU A 1 125 ? 2.954 -15.704 -8.768 1.00 71.64 125 A 1 ATOM 1046 C CG . GLU A 1 125 ? 4.099 -16.048 -7.800 1.00 65.06 125 A 1 ATOM 1047 C CD . GLU A 1 125 ? 5.358 -16.572 -8.521 1.00 64.11 125 A 1 ATOM 1048 O OE1 . GLU A 1 125 ? 6.395 -16.703 -7.831 1.00 58.83 125 A 1 ATOM 1049 O OE2 . GLU A 1 125 ? 5.312 -16.773 -9.760 1.00 58.72 125 A 1 ATOM 1050 N N . ARG A 1 126 ? 0.094 -15.159 -9.895 1.00 69.08 126 A 1 ATOM 1051 C CA . ARG A 1 126 ? -0.822 -14.585 -10.892 1.00 68.69 126 A 1 ATOM 1052 C C . ARG A 1 126 ? -1.876 -13.677 -10.257 1.00 69.39 126 A 1 ATOM 1053 O O . ARG A 1 126 ? -2.167 -12.614 -10.793 1.00 67.90 126 A 1 ATOM 1054 C CB . ARG A 1 126 ? -1.472 -15.721 -11.684 1.00 68.44 126 A 1 ATOM 1055 C CG . ARG A 1 126 ? -2.286 -15.186 -12.872 1.00 62.96 126 A 1 ATOM 1056 C CD . ARG A 1 126 ? -2.985 -16.319 -13.632 1.00 61.46 126 A 1 ATOM 1057 N NE . ARG A 1 126 ? -2.011 -17.309 -14.134 1.00 56.71 126 A 1 ATOM 1058 C CZ . ARG A 1 126 ? -2.274 -18.494 -14.657 1.00 51.05 126 A 1 ATOM 1059 N NH1 . ARG A 1 126 ? -3.495 -18.885 -14.872 1.00 47.78 126 A 1 ATOM 1060 N NH2 . ARG A 1 126 ? -1.304 -19.316 -14.962 1.00 44.30 126 A 1 ATOM 1061 N N . ASN A 1 127 ? -2.427 -14.058 -9.116 1.00 68.18 127 A 1 ATOM 1062 C CA . ASN A 1 127 ? -3.423 -13.233 -8.430 1.00 66.93 127 A 1 ATOM 1063 C C . ASN A 1 127 ? -2.824 -11.934 -7.862 1.00 68.40 127 A 1 ATOM 1064 O O . ASN A 1 127 ? -3.492 -10.897 -7.868 1.00 67.52 127 A 1 ATOM 1065 C CB . ASN A 1 127 ? -4.075 -14.064 -7.332 1.00 63.78 127 A 1 ATOM 1066 C CG . ASN A 1 127 ? -4.963 -15.177 -7.864 1.00 58.04 127 A 1 ATOM 1067 O OD1 . ASN A 1 127 ? -5.781 -15.030 -8.749 1.00 52.90 127 A 1 ATOM 1068 N ND2 . ASN A 1 127 ? -4.870 -16.354 -7.297 1.00 51.37 127 A 1 ATOM 1069 N N . ILE A 1 128 ? -1.562 -11.956 -7.418 1.00 71.39 128 A 1 ATOM 1070 C CA . ILE A 1 128 ? -0.826 -10.743 -7.036 1.00 72.92 128 A 1 ATOM 1071 C C . ILE A 1 128 ? -0.611 -9.852 -8.265 1.00 74.56 128 A 1 ATOM 1072 O O . ILE A 1 128 ? -0.819 -8.637 -8.192 1.00 74.11 128 A 1 ATOM 1073 C CB . ILE A 1 128 ? 0.503 -11.108 -6.335 1.00 72.09 128 A 1 ATOM 1074 C CG1 . ILE A 1 128 ? 0.230 -11.811 -4.983 1.00 68.44 128 A 1 ATOM 1075 C CG2 . ILE A 1 128 ? 1.366 -9.848 -6.110 1.00 69.56 128 A 1 ATOM 1076 C CD1 . ILE A 1 128 ? 1.471 -12.448 -4.344 1.00 65.49 128 A 1 ATOM 1077 N N . ASP A 1 129 ? -0.250 -10.425 -9.411 1.00 73.22 129 A 1 ATOM 1078 C CA . ASP A 1 129 ? -0.071 -9.687 -10.664 1.00 73.67 129 A 1 ATOM 1079 C C . ASP A 1 129 ? -1.377 -9.040 -11.153 1.00 73.50 129 A 1 ATOM 1080 O O . ASP A 1 129 ? -1.378 -7.852 -11.499 1.00 71.78 129 A 1 ATOM 1081 C CB . ASP A 1 129 ? 0.529 -10.606 -11.740 1.00 74.09 129 A 1 ATOM 1082 C CG . ASP A 1 129 ? 2.039 -10.841 -11.590 1.00 71.76 129 A 1 ATOM 1083 O OD1 . ASP A 1 129 ? 2.716 -10.024 -10.913 1.00 70.85 129 A 1 ATOM 1084 O OD2 . ASP A 1 129 ? 2.557 -11.758 -12.259 1.00 69.30 129 A 1 ATOM 1085 N N . ASP A 1 130 ? -2.495 -9.753 -11.106 1.00 72.93 130 A 1 ATOM 1086 C CA . ASP A 1 130 ? -3.814 -9.216 -11.464 1.00 71.34 130 A 1 ATOM 1087 C C . ASP A 1 130 ? -4.204 -8.036 -10.554 1.00 71.78 130 A 1 ATOM 1088 O O . ASP A 1 130 ? -4.685 -6.995 -11.019 1.00 69.34 130 A 1 ATOM 1089 C CB . ASP A 1 130 ? -4.872 -10.337 -11.385 1.00 69.50 130 A 1 ATOM 1090 C CG . ASP A 1 130 ? -4.797 -11.376 -12.520 1.00 64.87 130 A 1 ATOM 1091 O OD1 . ASP A 1 130 ? -4.185 -11.082 -13.573 1.00 63.22 130 A 1 ATOM 1092 O OD2 . ASP A 1 130 ? -5.434 -12.447 -12.367 1.00 60.38 130 A 1 ATOM 1093 N N . SER A 1 131 ? -3.910 -8.139 -9.257 1.00 74.11 131 A 1 ATOM 1094 C CA . SER A 1 131 ? -4.153 -7.063 -8.284 1.00 73.72 131 A 1 ATOM 1095 C C . SER A 1 131 ? -3.221 -5.862 -8.479 1.00 76.42 131 A 1 ATOM 1096 O O . SER A 1 131 ? -3.583 -4.727 -8.156 1.00 75.66 131 A 1 ATOM 1097 C CB . SER A 1 131 ? -4.000 -7.599 -6.863 1.00 70.12 131 A 1 ATOM 1098 O OG . SER A 1 131 ? -4.893 -8.679 -6.654 1.00 62.70 131 A 1 ATOM 1099 N N . THR A 1 132 ? -2.034 -6.078 -9.051 1.00 78.65 132 A 1 ATOM 1100 C CA . THR A 1 132 ? -1.070 -5.010 -9.352 1.00 81.01 132 A 1 ATOM 1101 C C . THR A 1 132 ? -1.641 -3.997 -10.348 1.00 82.57 132 A 1 ATOM 1102 O O . THR A 1 132 ? -1.376 -2.804 -10.214 1.00 82.72 132 A 1 ATOM 1103 C CB . THR A 1 132 ? 0.253 -5.595 -9.873 1.00 81.00 132 A 1 ATOM 1104 O OG1 . THR A 1 132 ? 0.843 -6.421 -8.894 1.00 77.92 132 A 1 ATOM 1105 C CG2 . THR A 1 132 ? 1.298 -4.530 -10.199 1.00 77.21 132 A 1 ATOM 1106 N N . SER A 1 133 ? -2.474 -4.426 -11.301 1.00 80.88 133 A 1 ATOM 1107 C CA . SER A 1 133 ? -3.129 -3.510 -12.248 1.00 80.65 133 A 1 ATOM 1108 C C . SER A 1 133 ? -4.030 -2.495 -11.537 1.00 81.86 133 A 1 ATOM 1109 O O . SER A 1 133 ? -3.929 -1.294 -11.784 1.00 81.23 133 A 1 ATOM 1110 C CB . SER A 1 133 ? -3.948 -4.307 -13.266 1.00 78.29 133 A 1 ATOM 1111 O OG . SER A 1 133 ? -4.416 -3.452 -14.290 1.00 68.92 133 A 1 ATOM 1112 N N . VAL A 1 134 ? -4.860 -2.957 -10.604 1.00 78.47 134 A 1 ATOM 1113 C CA . VAL A 1 134 ? -5.749 -2.090 -9.808 1.00 77.94 134 A 1 ATOM 1114 C C . VAL A 1 134 ? -4.935 -1.154 -8.914 1.00 81.02 134 A 1 ATOM 1115 O O . VAL A 1 134 ? -5.224 0.038 -8.814 1.00 80.74 134 A 1 ATOM 1116 C CB . VAL A 1 134 ? -6.723 -2.935 -8.961 1.00 74.35 134 A 1 ATOM 1117 C CG1 . VAL A 1 134 ? -7.677 -2.060 -8.134 1.00 69.18 134 A 1 ATOM 1118 C CG2 . VAL A 1 134 ? -7.578 -3.852 -9.848 1.00 69.19 134 A 1 ATOM 1119 N N . PHE A 1 135 ? -3.872 -1.666 -8.298 1.00 81.43 135 A 1 ATOM 1120 C CA . PHE A 1 135 ? -2.949 -0.856 -7.505 1.00 83.60 135 A 1 ATOM 1121 C C . PHE A 1 135 ? -2.306 0.268 -8.330 1.00 85.57 135 A 1 ATOM 1122 O O . PHE A 1 135 ? -2.224 1.402 -7.855 1.00 86.59 135 A 1 ATOM 1123 C CB . PHE A 1 135 ? -1.888 -1.774 -6.888 1.00 84.06 135 A 1 ATOM 1124 C CG . PHE A 1 135 ? -0.735 -1.011 -6.273 1.00 83.54 135 A 1 ATOM 1125 C CD1 . PHE A 1 135 ? 0.498 -0.934 -6.945 1.00 82.74 135 A 1 ATOM 1126 C CD2 . PHE A 1 135 ? -0.913 -0.334 -5.056 1.00 82.50 135 A 1 ATOM 1127 C CE1 . PHE A 1 135 ? 1.557 -0.198 -6.387 1.00 81.77 135 A 1 ATOM 1128 C CE2 . PHE A 1 135 ? 0.146 0.405 -4.499 1.00 81.55 135 A 1 ATOM 1129 C CZ . PHE A 1 135 ? 1.384 0.471 -5.163 1.00 81.94 135 A 1 ATOM 1130 N N . LEU A 1 136 ? -1.888 -0.005 -9.570 1.00 86.40 136 A 1 ATOM 1131 C CA . LEU A 1 136 ? -1.304 0.997 -10.465 1.00 88.08 136 A 1 ATOM 1132 C C . LEU A 1 136 ? -2.298 2.102 -10.838 1.00 89.26 136 A 1 ATOM 1133 O O . LEU A 1 136 ? -1.910 3.269 -10.885 1.00 89.64 136 A 1 ATOM 1134 C CB . LEU A 1 136 ? -0.767 0.309 -11.729 1.00 88.21 136 A 1 ATOM 1135 C CG . LEU A 1 136 ? 0.583 -0.399 -11.535 1.00 85.01 136 A 1 ATOM 1136 C CD1 . LEU A 1 136 ? 0.923 -1.178 -12.808 1.00 82.60 136 A 1 ATOM 1137 C CD2 . LEU A 1 136 ? 1.709 0.609 -11.270 1.00 82.40 136 A 1 ATOM 1138 N N . GLU A 1 137 ? -3.568 1.784 -11.046 1.00 86.84 137 A 1 ATOM 1139 C CA . GLU A 1 137 ? -4.600 2.799 -11.283 1.00 86.75 137 A 1 ATOM 1140 C C . GLU A 1 137 ? -4.755 3.746 -10.082 1.00 87.17 137 A 1 ATOM 1141 O O . GLU A 1 137 ? -4.831 4.969 -10.246 1.00 86.60 137 A 1 ATOM 1142 C CB . GLU A 1 137 ? -5.956 2.137 -11.576 1.00 86.24 137 A 1 ATOM 1143 C CG . GLU A 1 137 ? -6.022 1.421 -12.935 1.00 80.78 137 A 1 ATOM 1144 C CD . GLU A 1 137 ? -7.414 0.830 -13.221 1.00 76.59 137 A 1 ATOM 1145 O OE1 . GLU A 1 137 ? -7.539 0.095 -14.224 1.00 69.37 137 A 1 ATOM 1146 O OE2 . GLU A 1 137 ? -8.379 1.179 -12.490 1.00 69.14 137 A 1 ATOM 1147 N N . GLU A 1 138 ? -4.771 3.209 -8.866 1.00 85.97 138 A 1 ATOM 1148 C CA . GLU A 1 138 ? -4.842 4.015 -7.641 1.00 85.32 138 A 1 ATOM 1149 C C . GLU A 1 138 ? -3.567 4.838 -7.419 1.00 87.43 138 A 1 ATOM 1150 O O . GLU A 1 138 ? -3.644 6.020 -7.057 1.00 86.49 138 A 1 ATOM 1151 C CB . GLU A 1 138 ? -5.140 3.116 -6.430 1.00 82.88 138 A 1 ATOM 1152 C CG . GLU A 1 138 ? -6.566 2.524 -6.447 1.00 77.18 138 A 1 ATOM 1153 C CD . GLU A 1 138 ? -7.649 3.620 -6.539 1.00 73.19 138 A 1 ATOM 1154 O OE1 . GLU A 1 138 ? -8.475 3.590 -7.489 1.00 65.48 138 A 1 ATOM 1155 O OE2 . GLU A 1 138 ? -7.618 4.561 -5.714 1.00 63.75 138 A 1 ATOM 1156 N N . LEU A 1 139 ? -2.399 4.267 -7.713 1.00 87.57 139 A 1 ATOM 1157 C CA . LEU A 1 139 ? -1.122 4.977 -7.677 1.00 89.40 139 A 1 ATOM 1158 C C . LEU A 1 139 ? -1.132 6.186 -8.619 1.00 90.74 139 A 1 ATOM 1159 O O . LEU A 1 139 ? -0.783 7.293 -8.197 1.00 91.16 139 A 1 ATOM 1160 C CB . LEU A 1 139 ? 0.006 3.990 -8.035 1.00 90.04 139 A 1 ATOM 1161 C CG . LEU A 1 139 ? 1.390 4.645 -8.177 1.00 89.17 139 A 1 ATOM 1162 C CD1 . LEU A 1 139 ? 1.863 5.270 -6.868 1.00 86.27 139 A 1 ATOM 1163 C CD2 . LEU A 1 139 ? 2.418 3.600 -8.610 1.00 85.89 139 A 1 ATOM 1164 N N . GLN A 1 140 ? -1.564 6.013 -9.864 1.00 90.02 140 A 1 ATOM 1165 C CA . GLN A 1 140 ? -1.622 7.092 -10.853 1.00 90.79 140 A 1 ATOM 1166 C C . GLN A 1 140 ? -2.565 8.218 -10.414 1.00 91.26 140 A 1 ATOM 1167 O O . GLN A 1 140 ? -2.202 9.394 -10.508 1.00 91.24 140 A 1 ATOM 1168 C CB . GLN A 1 140 ? -2.048 6.519 -12.210 1.00 91.38 140 A 1 ATOM 1169 C CG . GLN A 1 140 ? -0.897 5.737 -12.873 1.00 84.26 140 A 1 ATOM 1170 C CD . GLN A 1 140 ? -1.286 5.084 -14.191 1.00 77.50 140 A 1 ATOM 1171 O OE1 . GLN A 1 140 ? -2.425 5.109 -14.639 1.00 70.85 140 A 1 ATOM 1172 N NE2 . GLN A 1 140 ? -0.324 4.482 -14.868 1.00 67.19 140 A 1 ATOM 1173 N N . LYS A 1 141 ? -3.731 7.893 -9.853 1.00 90.83 141 A 1 ATOM 1174 C CA . LYS A 1 141 ? -4.644 8.888 -9.261 1.00 90.26 141 A 1 ATOM 1175 C C . LYS A 1 141 ? -3.981 9.644 -8.105 1.00 90.76 141 A 1 ATOM 1176 O O . LYS A 1 141 ? -4.102 10.868 -8.023 1.00 89.77 141 A 1 ATOM 1177 C CB . LYS A 1 141 ? -5.920 8.200 -8.750 1.00 89.23 141 A 1 ATOM 1178 C CG . LYS A 1 141 ? -6.821 7.651 -9.874 1.00 85.36 141 A 1 ATOM 1179 C CD . LYS A 1 141 ? -7.913 6.774 -9.243 1.00 82.26 141 A 1 ATOM 1180 C CE . LYS A 1 141 ? -8.617 5.908 -10.289 1.00 75.04 141 A 1 ATOM 1181 N NZ . LYS A 1 141 ? -9.407 4.835 -9.641 1.00 68.14 141 A 1 ATOM 1182 N N . GLY A 1 142 ? -3.266 8.938 -7.231 1.00 90.01 142 A 1 ATOM 1183 C CA . GLY A 1 142 ? -2.541 9.540 -6.114 1.00 89.33 142 A 1 ATOM 1184 C C . GLY A 1 142 ? -1.418 10.478 -6.563 1.00 90.89 142 A 1 ATOM 1185 O O . GLY A 1 142 ? -1.306 11.592 -6.049 1.00 90.24 142 A 1 ATOM 1186 N N . ILE A 1 143 ? -0.635 10.076 -7.564 1.00 89.18 143 A 1 ATOM 1187 C CA . ILE A 1 143 ? 0.409 10.920 -8.165 1.00 90.70 143 A 1 ATOM 1188 C C . ILE A 1 143 ? -0.210 12.192 -8.753 1.00 91.70 143 A 1 ATOM 1189 O O . ILE A 1 143 ? 0.286 13.291 -8.493 1.00 91.68 143 A 1 ATOM 1190 C CB . ILE A 1 143 ? 1.207 10.137 -9.235 1.00 91.61 143 A 1 ATOM 1191 C CG1 . ILE A 1 143 ? 2.057 9.027 -8.575 1.00 90.77 143 A 1 ATOM 1192 C CG2 . ILE A 1 143 ? 2.124 11.083 -10.042 1.00 89.82 143 A 1 ATOM 1193 C CD1 . ILE A 1 143 ? 2.642 8.020 -9.574 1.00 87.79 143 A 1 ATOM 1194 N N . GLU A 1 144 ? -1.300 12.079 -9.500 1.00 90.55 144 A 1 ATOM 1195 C CA . GLU A 1 144 ? -1.969 13.236 -10.098 1.00 91.64 144 A 1 ATOM 1196 C C . GLU A 1 144 ? -2.530 14.186 -9.031 1.00 91.83 144 A 1 ATOM 1197 O O . GLU A 1 144 ? -2.338 15.399 -9.126 1.00 91.35 144 A 1 ATOM 1198 C CB . GLU A 1 144 ? -3.049 12.756 -11.082 1.00 92.04 144 A 1 ATOM 1199 C CG . GLU A 1 144 ? -3.675 13.900 -11.897 1.00 82.49 144 A 1 ATOM 1200 C CD . GLU A 1 144 ? -2.655 14.758 -12.667 1.00 76.30 144 A 1 ATOM 1201 O OE1 . GLU A 1 144 ? -2.912 15.979 -12.806 1.00 67.19 144 A 1 ATOM 1202 O OE2 . GLU A 1 144 ? -1.601 14.225 -13.093 1.00 68.43 144 A 1 ATOM 1203 N N . SER A 1 145 ? -3.119 13.656 -7.960 1.00 89.43 145 A 1 ATOM 1204 C CA . SER A 1 145 ? -3.557 14.455 -6.807 1.00 88.94 145 A 1 ATOM 1205 C C . SER A 1 145 ? -2.392 15.226 -6.174 1.00 89.29 145 A 1 ATOM 1206 O O . SER A 1 145 ? -2.485 16.441 -5.982 1.00 88.80 145 A 1 ATOM 1207 C CB . SER A 1 145 ? -4.221 13.545 -5.766 1.00 88.60 145 A 1 ATOM 1208 O OG . SER A 1 145 ? -4.785 14.325 -4.724 1.00 79.57 145 A 1 ATOM 1209 N N . CYS A 1 146 ? -1.257 14.571 -5.942 1.00 88.51 146 A 1 ATOM 1210 C CA . CYS A 1 146 ? -0.053 15.219 -5.410 1.00 88.76 146 A 1 ATOM 1211 C C . CYS A 1 146 ? 0.450 16.339 -6.338 1.00 90.06 146 A 1 ATOM 1212 O O . CYS A 1 146 ? 0.795 17.440 -5.883 1.00 90.86 146 A 1 ATOM 1213 C CB . CYS A 1 146 ? 1.016 14.138 -5.192 1.00 89.00 146 A 1 ATOM 1214 S SG . CYS A 1 146 ? 2.514 14.878 -4.471 1.00 86.89 146 A 1 ATOM 1215 N N . LYS A 1 147 ? 0.452 16.103 -7.661 1.00 89.51 147 A 1 ATOM 1216 C CA . LYS A 1 147 ? 0.837 17.117 -8.656 1.00 90.75 147 A 1 ATOM 1217 C C . LYS A 1 147 ? -0.102 18.328 -8.634 1.00 91.58 147 A 1 ATOM 1218 O O . LYS A 1 147 ? 0.374 19.463 -8.693 1.00 92.61 147 A 1 ATOM 1219 C CB . LYS A 1 147 ? 0.884 16.483 -10.051 1.00 91.86 147 A 1 ATOM 1220 C CG . LYS A 1 147 ? 2.084 15.528 -10.208 1.00 92.38 147 A 1 ATOM 1221 C CD . LYS A 1 147 ? 2.028 14.747 -11.522 1.00 89.89 147 A 1 ATOM 1222 C CE . LYS A 1 147 ? 2.154 15.673 -12.736 1.00 85.97 147 A 1 ATOM 1223 N NZ . LYS A 1 147 ? 2.137 14.900 -13.996 1.00 81.11 147 A 1 ATOM 1224 N N . GLN A 1 148 ? -1.410 18.117 -8.499 1.00 90.63 148 A 1 ATOM 1225 C CA . GLN A 1 148 ? -2.397 19.192 -8.366 1.00 91.01 148 A 1 ATOM 1226 C C . GLN A 1 148 ? -2.183 20.009 -7.085 1.00 91.01 148 A 1 ATOM 1227 O O . GLN A 1 148 ? -2.207 21.240 -7.133 1.00 91.41 148 A 1 ATOM 1228 C CB . GLN A 1 148 ? -3.812 18.604 -8.392 1.00 91.68 148 A 1 ATOM 1229 C CG . GLN A 1 148 ? -4.200 18.110 -9.797 1.00 82.20 148 A 1 ATOM 1230 C CD . GLN A 1 148 ? -5.542 17.391 -9.823 1.00 76.36 148 A 1 ATOM 1231 O OE1 . GLN A 1 148 ? -6.321 17.392 -8.883 1.00 72.16 148 A 1 ATOM 1232 N NE2 . GLN A 1 148 ? -5.873 16.761 -10.929 1.00 66.92 148 A 1 ATOM 1233 N N . GLU A 1 149 ? -1.894 19.366 -5.956 1.00 88.74 149 A 1 ATOM 1234 C CA . GLU A 1 149 ? -1.559 20.066 -4.709 1.00 87.52 149 A 1 ATOM 1235 C C . GLU A 1 149 ? -0.304 20.940 -4.861 1.00 88.77 149 A 1 ATOM 1236 O O . GLU A 1 149 ? -0.291 22.105 -4.451 1.00 87.86 149 A 1 ATOM 1237 C CB . GLU A 1 149 ? -1.337 19.058 -3.577 1.00 86.51 149 A 1 ATOM 1238 C CG . GLU A 1 149 ? -2.642 18.401 -3.096 1.00 82.39 149 A 1 ATOM 1239 C CD . GLU A 1 149 ? -2.399 17.386 -1.966 1.00 77.24 149 A 1 ATOM 1240 O OE1 . GLU A 1 149 ? -3.356 16.658 -1.638 1.00 70.09 149 A 1 ATOM 1241 O OE2 . GLU A 1 149 ? -1.277 17.390 -1.399 1.00 70.00 149 A 1 ATOM 1242 N N . LEU A 1 150 ? 0.741 20.417 -5.502 1.00 88.72 150 A 1 ATOM 1243 C CA . LEU A 1 150 ? 1.957 21.179 -5.800 1.00 89.56 150 A 1 ATOM 1244 C C . LEU A 1 150 ? 1.673 22.368 -6.728 1.00 90.89 150 A 1 ATOM 1245 O O . LEU A 1 150 ? 2.215 23.458 -6.514 1.00 91.27 150 A 1 ATOM 1246 C CB . LEU A 1 150 ? 2.999 20.244 -6.436 1.00 90.12 150 A 1 ATOM 1247 C CG . LEU A 1 150 ? 3.593 19.194 -5.484 1.00 88.85 150 A 1 ATOM 1248 C CD1 . LEU A 1 150 ? 4.457 18.218 -6.287 1.00 85.49 150 A 1 ATOM 1249 C CD2 . LEU A 1 150 ? 4.482 19.840 -4.424 1.00 85.68 150 A 1 ATOM 1250 N N . GLN A 1 151 ? 0.819 22.189 -7.727 1.00 91.50 151 A 1 ATOM 1251 C CA . GLN A 1 151 ? 0.400 23.249 -8.642 1.00 92.08 151 A 1 ATOM 1252 C C . GLN A 1 151 ? -0.373 24.355 -7.904 1.00 92.43 151 A 1 ATOM 1253 O O . GLN A 1 151 ? -0.045 25.533 -8.053 1.00 92.00 151 A 1 ATOM 1254 C CB . GLN A 1 151 ? -0.401 22.614 -9.789 1.00 92.07 151 A 1 ATOM 1255 C CG . GLN A 1 151 ? -0.761 23.606 -10.896 1.00 83.62 151 A 1 ATOM 1256 C CD . GLN A 1 151 ? 0.442 24.243 -11.586 1.00 80.29 151 A 1 ATOM 1257 O OE1 . GLN A 1 151 ? 1.560 23.740 -11.627 1.00 73.48 151 A 1 ATOM 1258 N NE2 . GLN A 1 151 ? 0.242 25.410 -12.157 1.00 69.14 151 A 1 ATOM 1259 N N . ASN A 1 152 ? -1.276 23.994 -7.003 1.00 90.34 152 A 1 ATOM 1260 C CA . ASN A 1 152 ? -2.000 24.937 -6.149 1.00 90.44 152 A 1 ATOM 1261 C C . ASN A 1 152 ? -1.055 25.758 -5.252 1.00 90.19 152 A 1 ATOM 1262 O O . ASN A 1 152 ? -1.273 26.947 -5.041 1.00 88.50 152 A 1 ATOM 1263 C CB . ASN A 1 152 ? -3.016 24.153 -5.298 1.00 90.93 152 A 1 ATOM 1264 C CG . ASN A 1 152 ? -4.177 23.594 -6.108 1.00 87.76 152 A 1 ATOM 1265 O OD1 . ASN A 1 152 ? -4.545 24.106 -7.149 1.00 80.26 152 A 1 ATOM 1266 N ND2 . ASN A 1 152 ? -4.823 22.555 -5.631 1.00 79.99 152 A 1 ATOM 1267 N N . VAL A 1 153 ? 0.032 25.168 -4.755 1.00 88.64 153 A 1 ATOM 1268 C CA . VAL A 1 153 ? 1.081 25.898 -4.006 1.00 88.28 153 A 1 ATOM 1269 C C . VAL A 1 153 ? 1.819 26.907 -4.896 1.00 90.32 153 A 1 ATOM 1270 O O . VAL A 1 153 ? 2.305 27.932 -4.408 1.00 89.69 153 A 1 ATOM 1271 C CB . VAL A 1 153 ? 2.078 24.908 -3.369 1.00 87.25 153 A 1 ATOM 1272 C CG1 . VAL A 1 153 ? 3.311 25.590 -2.753 1.00 84.69 153 A 1 ATOM 1273 C CG2 . VAL A 1 153 ? 1.413 24.097 -2.250 1.00 84.04 153 A 1 ATOM 1274 N N . ILE A 1 154 ? 1.958 26.638 -6.194 1.00 90.64 154 A 1 ATOM 1275 C CA . ILE A 1 154 ? 2.617 27.546 -7.142 1.00 91.82 154 A 1 ATOM 1276 C C . ILE A 1 154 ? 1.715 28.740 -7.481 1.00 92.39 154 A 1 ATOM 1277 O O . ILE A 1 154 ? 2.220 29.858 -7.636 1.00 90.75 154 A 1 ATOM 1278 C CB . ILE A 1 154 ? 3.048 26.769 -8.406 1.00 92.48 154 A 1 ATOM 1279 C CG1 . ILE A 1 154 ? 4.150 25.744 -8.052 1.00 91.30 154 A 1 ATOM 1280 C CG2 . ILE A 1 154 ? 3.552 27.711 -9.511 1.00 90.22 154 A 1 ATOM 1281 C CD1 . ILE A 1 154 ? 4.310 24.646 -9.106 1.00 88.18 154 A 1 ATOM 1282 N N . GLU A 1 155 ? 0.421 28.522 -7.591 1.00 92.68 155 A 1 ATOM 1283 C CA . GLU A 1 155 ? -0.564 29.522 -8.010 1.00 93.13 155 A 1 ATOM 1284 C C . GLU A 1 155 ? -0.951 30.494 -6.885 1.00 92.37 155 A 1 ATOM 1285 O O . GLU A 1 155 ? -1.077 31.690 -7.143 1.00 88.16 155 A 1 ATOM 1286 C CB . GLU A 1 155 ? -1.777 28.797 -8.600 1.00 92.69 155 A 1 ATOM 1287 C CG . GLU A 1 155 ? -1.386 28.168 -9.945 1.00 89.12 155 A 1 ATOM 1288 C CD . GLU A 1 155 ? -2.473 27.312 -10.596 1.00 84.99 155 A 1 ATOM 1289 O OE1 . GLU A 1 155 ? -2.108 26.681 -11.623 1.00 76.56 155 A 1 ATOM 1290 O OE2 . GLU A 1 155 ? -3.615 27.300 -10.094 1.00 78.15 155 A 1 ATOM 1291 N N . ASN A 1 156 ? -1.031 30.008 -5.652 1.00 92.92 156 A 1 ATOM 1292 C CA . ASN A 1 156 ? -1.376 30.794 -4.460 1.00 91.92 156 A 1 ATOM 1293 C C . ASN A 1 156 ? -0.136 31.370 -3.749 1.00 87.61 156 A 1 ATOM 1294 O O . ASN A 1 156 ? -0.236 32.499 -3.238 1.00 81.61 156 A 1 ATOM 1295 C CB . ASN A 1 156 ? -2.256 29.929 -3.539 1.00 88.92 156 A 1 ATOM 1296 C CG . ASN A 1 156 ? -3.576 29.541 -4.188 1.00 85.90 156 A 1 ATOM 1297 O OD1 . ASN A 1 156 ? -4.445 30.366 -4.410 1.00 78.12 156 A 1 ATOM 1298 N ND2 . ASN A 1 156 ? -3.750 28.288 -4.531 1.00 76.92 156 A 1 ATOM 1299 O OXT . ASN A 1 156 ? 0.890 30.684 -3.697 1.00 77.36 156 A 1 #