# 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_acrib5 # _entry.id acrib5 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n ALA 2 1 n GLY 3 1 n PHE 4 1 n ILE 5 1 n LYS 6 1 n LYS 7 1 n TYR 8 1 n LEU 9 1 n ASP 10 1 n SER 11 1 n ARG 12 1 n GLY 13 1 n TRP 14 1 n THR 15 1 n ILE 16 1 n TYR 17 1 n GLN 18 1 n LEU 19 1 n GLY 20 1 n ASN 21 1 n ALA 22 1 n THR 23 1 n GLY 24 1 n LEU 25 1 n ALA 26 1 n HIS 27 1 n GLN 28 1 n THR 29 1 n ILE 30 1 n ARG 31 1 n SER 32 1 n ALA 33 1 n ASP 34 1 n SER 35 1 n LYS 36 1 n THR 37 1 n VAL 38 1 n ASP 39 1 n GLN 40 1 n LEU 41 1 n SER 42 1 n ALA 43 1 n LYS 44 1 n ASN 45 1 n VAL 46 1 n ARG 47 1 n LEU 48 1 n ILE 49 1 n ALA 50 1 n GLU 51 1 n VAL 52 1 n PHE 53 1 n HIS 54 1 n PHE 55 1 n THR 56 1 n ALA 57 1 n GLY 58 1 n GLU 59 1 n ILE 60 1 n LEU 61 1 n ASP 62 1 n GLU 63 1 n PHE 64 1 n TYR 65 1 n GLU 66 1 n ILE 67 1 n GLU 68 1 n GLU 69 1 n GLU 70 1 n ILE 71 1 n THR 72 1 n ASN 73 1 n ASP 74 1 n GLU 75 1 n ILE 76 1 n LEU 77 1 n LYS 78 1 n GLU 79 1 n LEU 80 1 n THR 81 1 n THR 82 1 n VAL 83 1 n PHE 84 1 n GLU 85 1 n LYS 86 1 n HIS 87 1 n GLY 88 1 n HIS 89 1 n ASN 90 1 n THR 91 1 n ASP 92 1 n GLU 93 1 n ILE 94 1 n SER 95 1 n SER 96 1 n GLU 97 1 n LEU 98 1 n LEU 99 1 n ASP 100 1 n GLY 101 1 n GLU 102 1 n THR 103 1 n ILE 104 1 n LYS 105 1 n LEU 106 1 n ASP 107 1 n MET 108 1 n THR 109 1 n ASP 110 1 n ASP 111 1 n ASN 112 1 n ILE 113 1 n THR 114 1 n LYS 115 1 n LEU 116 1 n ALA 117 1 n ASP 118 1 n ALA 119 1 n VAL 120 1 n ASN 121 1 n ALA 122 1 n THR 123 1 n GLU 124 1 n HIS 125 1 n PHE 126 1 n THR 127 1 n ALA 128 1 n TYR 129 1 n LEU 130 1 n ASP 131 1 n SER 132 1 n SER 133 1 n THR 134 1 n ASP 135 1 n TYR 136 1 n MET 137 1 n ILE 138 1 n VAL 139 1 n GLU 140 1 n ALA 141 1 n THR 142 1 n GLN 143 # _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 19:35:13)" _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 92.66 _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 59.09 1 1 A ALA 2 2 78.18 1 2 A GLY 3 2 94.71 1 3 A PHE 4 2 97.03 1 4 A ILE 5 2 97.89 1 5 A LYS 6 2 91.38 1 6 A LYS 7 2 93.02 1 7 A TYR 8 2 97.31 1 8 A LEU 9 2 97.75 1 9 A ASP 10 2 95.54 1 10 A SER 11 2 96.02 1 11 A ARG 12 2 91.52 1 12 A GLY 13 2 97.82 1 13 A TRP 14 2 97.73 1 14 A THR 15 2 97.30 1 15 A ILE 16 2 96.44 1 16 A TYR 17 2 87.12 1 17 A GLN 18 2 95.62 1 18 A LEU 19 2 98.13 1 19 A GLY 20 2 98.32 1 20 A ASN 21 2 95.00 1 21 A ALA 22 2 98.20 1 22 A THR 23 2 97.79 1 23 A GLY 24 2 97.31 1 24 A LEU 25 2 96.61 1 25 A ALA 26 2 97.41 1 26 A HIS 27 2 85.31 1 27 A GLN 28 2 87.64 1 28 A THR 29 2 96.27 1 29 A ILE 30 2 97.31 1 30 A ARG 31 2 88.36 1 31 A SER 32 2 94.26 1 32 A ALA 33 2 96.94 1 33 A ASP 34 2 96.30 1 34 A SER 35 2 94.75 1 35 A LYS 36 2 91.08 1 36 A THR 37 2 95.92 1 37 A VAL 38 2 96.88 1 38 A ASP 39 2 94.32 1 39 A GLN 40 2 92.33 1 40 A LEU 41 2 95.05 1 41 A SER 42 2 95.98 1 42 A ALA 43 2 97.39 1 43 A LYS 44 2 90.53 1 44 A ASN 45 2 94.02 1 45 A VAL 46 2 97.43 1 46 A ARG 47 2 84.25 1 47 A LEU 48 2 97.13 1 48 A ILE 49 2 97.71 1 49 A ALA 50 2 98.15 1 50 A GLU 51 2 93.49 1 51 A VAL 52 2 97.69 1 52 A PHE 53 2 97.50 1 53 A HIS 54 2 93.02 1 54 A PHE 55 2 94.48 1 55 A THR 56 2 97.62 1 56 A ALA 57 2 97.94 1 57 A GLY 58 2 98.12 1 58 A GLU 59 2 96.08 1 59 A ILE 60 2 96.23 1 60 A LEU 61 2 97.40 1 61 A ASP 62 2 96.78 1 62 A GLU 63 2 93.10 1 63 A PHE 64 2 97.59 1 64 A TYR 65 2 96.11 1 65 A GLU 66 2 90.98 1 66 A ILE 67 2 97.06 1 67 A GLU 68 2 94.98 1 68 A GLU 69 2 89.96 1 69 A GLU 70 2 89.31 1 70 A ILE 71 2 95.01 1 71 A THR 72 2 92.96 1 72 A ASN 73 2 93.98 1 73 A ASP 74 2 91.56 1 74 A GLU 75 2 85.20 1 75 A ILE 76 2 94.56 1 76 A LEU 77 2 96.20 1 77 A LYS 78 2 88.44 1 78 A GLU 79 2 90.35 1 79 A LEU 80 2 97.04 1 80 A THR 81 2 97.06 1 81 A THR 82 2 96.78 1 82 A VAL 83 2 97.28 1 83 A PHE 84 2 96.70 1 84 A GLU 85 2 95.07 1 85 A LYS 86 2 87.31 1 86 A HIS 87 2 92.37 1 87 A GLY 88 2 93.46 1 88 A HIS 89 2 88.30 1 89 A ASN 90 2 88.44 1 90 A THR 91 2 95.60 1 91 A ASP 92 2 93.84 1 92 A GLU 93 2 87.25 1 93 A ILE 94 2 96.61 1 94 A SER 95 2 95.60 1 95 A SER 96 2 93.55 1 96 A GLU 97 2 89.91 1 97 A LEU 98 2 94.94 1 98 A LEU 99 2 95.17 1 99 A ASP 100 2 92.65 1 100 A GLY 101 2 95.92 1 101 A GLU 102 2 86.33 1 102 A THR 103 2 95.85 1 103 A ILE 104 2 96.26 1 104 A LYS 105 2 88.57 1 105 A LEU 106 2 93.01 1 106 A ASP 107 2 85.80 1 107 A MET 108 2 84.55 1 108 A THR 109 2 85.68 1 109 A ASP 110 2 81.87 1 110 A ASP 111 2 84.18 1 111 A ASN 112 2 83.28 1 112 A ILE 113 2 89.08 1 113 A THR 114 2 91.44 1 114 A LYS 115 2 89.96 1 115 A LEU 116 2 95.85 1 116 A ALA 117 2 96.96 1 117 A ASP 118 2 95.76 1 118 A ALA 119 2 97.70 1 119 A VAL 120 2 97.62 1 120 A ASN 121 2 96.15 1 121 A ALA 122 2 97.37 1 122 A THR 123 2 96.59 1 123 A GLU 124 2 88.00 1 124 A HIS 125 2 92.86 1 125 A PHE 126 2 96.81 1 126 A THR 127 2 95.39 1 127 A ALA 128 2 97.13 1 128 A TYR 129 2 94.08 1 129 A LEU 130 2 85.06 1 130 A ASP 131 2 86.98 1 131 A SER 132 2 83.96 1 132 A SER 133 2 83.33 1 133 A THR 134 2 81.61 1 134 A ASP 135 2 80.31 1 135 A TYR 136 2 88.69 1 136 A MET 137 2 89.02 1 137 A ILE 138 2 95.22 1 138 A VAL 139 2 96.96 1 139 A GLU 140 2 93.83 1 140 A ALA 141 2 96.33 1 141 A THR 142 2 90.00 1 142 A GLN 143 2 73.64 1 143 # _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 ALA . 2 A 2 A 3 1 n GLY . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n LYS . 7 A 7 A 8 1 n TYR . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ASP . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n ARG . 12 A 12 A 13 1 n GLY . 13 A 13 A 14 1 n TRP . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n TYR . 17 A 17 A 18 1 n GLN . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n GLY . 20 A 20 A 21 1 n ASN . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n THR . 23 A 23 A 24 1 n GLY . 24 A 24 A 25 1 n LEU . 25 A 25 A 26 1 n ALA . 26 A 26 A 27 1 n HIS . 27 A 27 A 28 1 n GLN . 28 A 28 A 29 1 n THR . 29 A 29 A 30 1 n ILE . 30 A 30 A 31 1 n ARG . 31 A 31 A 32 1 n SER . 32 A 32 A 33 1 n ALA . 33 A 33 A 34 1 n ASP . 34 A 34 A 35 1 n SER . 35 A 35 A 36 1 n LYS . 36 A 36 A 37 1 n THR . 37 A 37 A 38 1 n VAL . 38 A 38 A 39 1 n ASP . 39 A 39 A 40 1 n GLN . 40 A 40 A 41 1 n LEU . 41 A 41 A 42 1 n SER . 42 A 42 A 43 1 n ALA . 43 A 43 A 44 1 n LYS . 44 A 44 A 45 1 n ASN . 45 A 45 A 46 1 n VAL . 46 A 46 A 47 1 n ARG . 47 A 47 A 48 1 n LEU . 48 A 48 A 49 1 n ILE . 49 A 49 A 50 1 n ALA . 50 A 50 A 51 1 n GLU . 51 A 51 A 52 1 n VAL . 52 A 52 A 53 1 n PHE . 53 A 53 A 54 1 n HIS . 54 A 54 A 55 1 n PHE . 55 A 55 A 56 1 n THR . 56 A 56 A 57 1 n ALA . 57 A 57 A 58 1 n GLY . 58 A 58 A 59 1 n GLU . 59 A 59 A 60 1 n ILE . 60 A 60 A 61 1 n LEU . 61 A 61 A 62 1 n ASP . 62 A 62 A 63 1 n GLU . 63 A 63 A 64 1 n PHE . 64 A 64 A 65 1 n TYR . 65 A 65 A 66 1 n GLU . 66 A 66 A 67 1 n ILE . 67 A 67 A 68 1 n GLU . 68 A 68 A 69 1 n GLU . 69 A 69 A 70 1 n GLU . 70 A 70 A 71 1 n ILE . 71 A 71 A 72 1 n THR . 72 A 72 A 73 1 n ASN . 73 A 73 A 74 1 n ASP . 74 A 74 A 75 1 n GLU . 75 A 75 A 76 1 n ILE . 76 A 76 A 77 1 n LEU . 77 A 77 A 78 1 n LYS . 78 A 78 A 79 1 n GLU . 79 A 79 A 80 1 n LEU . 80 A 80 A 81 1 n THR . 81 A 81 A 82 1 n THR . 82 A 82 A 83 1 n VAL . 83 A 83 A 84 1 n PHE . 84 A 84 A 85 1 n GLU . 85 A 85 A 86 1 n LYS . 86 A 86 A 87 1 n HIS . 87 A 87 A 88 1 n GLY . 88 A 88 A 89 1 n HIS . 89 A 89 A 90 1 n ASN . 90 A 90 A 91 1 n THR . 91 A 91 A 92 1 n ASP . 92 A 92 A 93 1 n GLU . 93 A 93 A 94 1 n ILE . 94 A 94 A 95 1 n SER . 95 A 95 A 96 1 n SER . 96 A 96 A 97 1 n GLU . 97 A 97 A 98 1 n LEU . 98 A 98 A 99 1 n LEU . 99 A 99 A 100 1 n ASP . 100 A 100 A 101 1 n GLY . 101 A 101 A 102 1 n GLU . 102 A 102 A 103 1 n THR . 103 A 103 A 104 1 n ILE . 104 A 104 A 105 1 n LYS . 105 A 105 A 106 1 n LEU . 106 A 106 A 107 1 n ASP . 107 A 107 A 108 1 n MET . 108 A 108 A 109 1 n THR . 109 A 109 A 110 1 n ASP . 110 A 110 A 111 1 n ASP . 111 A 111 A 112 1 n ASN . 112 A 112 A 113 1 n ILE . 113 A 113 A 114 1 n THR . 114 A 114 A 115 1 n LYS . 115 A 115 A 116 1 n LEU . 116 A 116 A 117 1 n ALA . 117 A 117 A 118 1 n ASP . 118 A 118 A 119 1 n ALA . 119 A 119 A 120 1 n VAL . 120 A 120 A 121 1 n ASN . 121 A 121 A 122 1 n ALA . 122 A 122 A 123 1 n THR . 123 A 123 A 124 1 n GLU . 124 A 124 A 125 1 n HIS . 125 A 125 A 126 1 n PHE . 126 A 126 A 127 1 n THR . 127 A 127 A 128 1 n ALA . 128 A 128 A 129 1 n TYR . 129 A 129 A 130 1 n LEU . 130 A 130 A 131 1 n ASP . 131 A 131 A 132 1 n SER . 132 A 132 A 133 1 n SER . 133 A 133 A 134 1 n THR . 134 A 134 A 135 1 n ASP . 135 A 135 A 136 1 n TYR . 136 A 136 A 137 1 n MET . 137 A 137 A 138 1 n ILE . 138 A 138 A 139 1 n VAL . 139 A 139 A 140 1 n GLU . 140 A 140 A 141 1 n ALA . 141 A 141 A 142 1 n THR . 142 A 142 A 143 1 n GLN . 143 A 143 # _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 ? 4.223 -0.551 9.742 1.00 60.46 1 A 1 ATOM 2 C CA . MET A 1 1 ? 3.233 0.220 8.966 1.00 66.89 1 A 1 ATOM 3 C C . MET A 1 1 ? 2.151 0.688 9.912 1.00 69.93 1 A 1 ATOM 4 O O . MET A 1 1 ? 1.888 0.003 10.896 1.00 63.56 1 A 1 ATOM 5 C CB . MET A 1 1 ? 2.653 -0.627 7.836 1.00 60.70 1 A 1 ATOM 6 C CG . MET A 1 1 ? 3.735 -0.977 6.813 1.00 54.70 1 A 1 ATOM 7 S SD . MET A 1 1 ? 3.481 -2.603 6.100 1.00 50.65 1 A 1 ATOM 8 C CE . MET A 1 1 ? 5.047 -2.791 5.215 1.00 45.83 1 A 1 ATOM 9 N N . ALA A 1 2 ? 1.619 1.874 9.698 1.00 73.90 2 A 1 ATOM 10 C CA . ALA A 1 2 ? 0.679 2.499 10.621 1.00 79.56 2 A 1 ATOM 11 C C . ALA A 1 2 ? -0.359 3.307 9.839 1.00 85.97 2 A 1 ATOM 12 O O . ALA A 1 2 ? -0.022 3.918 8.829 1.00 81.64 2 A 1 ATOM 13 C CB . ALA A 1 2 ? 1.460 3.403 11.592 1.00 69.85 2 A 1 ATOM 14 N N . GLY A 1 3 ? -1.592 3.364 10.327 1.00 91.48 3 A 1 ATOM 15 C CA . GLY A 1 3 ? -2.608 4.261 9.782 1.00 94.62 3 A 1 ATOM 16 C C . GLY A 1 3 ? -3.740 3.601 9.000 1.00 96.70 3 A 1 ATOM 17 O O . GLY A 1 3 ? -4.645 4.320 8.569 1.00 96.04 3 A 1 ATOM 18 N N . PHE A 1 4 ? -3.766 2.274 8.857 1.00 97.37 4 A 1 ATOM 19 C CA . PHE A 1 4 ? -4.824 1.584 8.106 1.00 97.68 4 A 1 ATOM 20 C C . PHE A 1 4 ? -6.210 1.740 8.750 1.00 98.04 4 A 1 ATOM 21 O O . PHE A 1 4 ? -7.180 1.981 8.039 1.00 97.87 4 A 1 ATOM 22 C CB . PHE A 1 4 ? -4.456 0.104 7.907 1.00 97.41 4 A 1 ATOM 23 C CG . PHE A 1 4 ? -4.410 -0.712 9.183 1.00 97.51 4 A 1 ATOM 24 C CD1 . PHE A 1 4 ? -3.215 -0.818 9.913 1.00 96.69 4 A 1 ATOM 25 C CD2 . PHE A 1 4 ? -5.572 -1.351 9.648 1.00 96.85 4 A 1 ATOM 26 C CE1 . PHE A 1 4 ? -3.182 -1.543 11.112 1.00 95.93 4 A 1 ATOM 27 C CE2 . PHE A 1 4 ? -5.538 -2.075 10.849 1.00 95.96 4 A 1 ATOM 28 C CZ . PHE A 1 4 ? -4.343 -2.168 11.583 1.00 96.02 4 A 1 ATOM 29 N N . ILE A 1 5 ? -6.330 1.720 10.085 1.00 97.93 5 A 1 ATOM 30 C CA . ILE A 1 5 ? -7.619 1.963 10.759 1.00 98.13 5 A 1 ATOM 31 C C . ILE A 1 5 ? -8.070 3.395 10.491 1.00 98.18 5 A 1 ATOM 32 O O . ILE A 1 5 ? -9.234 3.633 10.182 1.00 98.06 5 A 1 ATOM 33 C CB . ILE A 1 5 ? -7.558 1.695 12.284 1.00 98.13 5 A 1 ATOM 34 C CG1 . ILE A 1 5 ? -7.146 0.237 12.581 1.00 97.76 5 A 1 ATOM 35 C CG2 . ILE A 1 5 ? -8.907 2.022 12.962 1.00 97.74 5 A 1 ATOM 36 C CD1 . ILE A 1 5 ? -7.005 -0.107 14.071 1.00 97.19 5 A 1 ATOM 37 N N . LYS A 1 6 ? -7.157 4.367 10.587 1.00 97.89 6 A 1 ATOM 38 C CA . LYS A 1 6 ? -7.480 5.768 10.328 1.00 97.77 6 A 1 ATOM 39 C C . LYS A 1 6 ? -7.909 5.972 8.875 1.00 97.89 6 A 1 ATOM 40 O O . LYS A 1 6 ? -8.947 6.589 8.660 1.00 97.79 6 A 1 ATOM 41 C CB . LYS A 1 6 ? -6.292 6.652 10.716 1.00 97.34 6 A 1 ATOM 42 C CG . LYS A 1 6 ? -6.683 8.131 10.606 1.00 93.48 6 A 1 ATOM 43 C CD . LYS A 1 6 ? -5.462 9.037 10.742 1.00 88.90 6 A 1 ATOM 44 C CE . LYS A 1 6 ? -5.915 10.443 10.359 1.00 80.82 6 A 1 ATOM 45 N NZ . LYS A 1 6 ? -4.781 11.263 9.892 1.00 70.56 6 A 1 ATOM 46 N N . LYS A 1 7 ? -7.173 5.429 7.908 1.00 97.69 7 A 1 ATOM 47 C CA . LYS A 1 7 ? -7.499 5.527 6.472 1.00 97.57 7 A 1 ATOM 48 C C . LYS A 1 7 ? -8.868 4.903 6.167 1.00 97.87 7 A 1 ATOM 49 O O . LYS A 1 7 ? -9.688 5.531 5.504 1.00 97.67 7 A 1 ATOM 50 C CB . LYS A 1 7 ? -6.349 4.907 5.647 1.00 97.07 7 A 1 ATOM 51 C CG . LYS A 1 7 ? -6.471 5.181 4.133 1.00 93.85 7 A 1 ATOM 52 C CD . LYS A 1 7 ? -5.194 4.756 3.364 1.00 91.11 7 A 1 ATOM 53 C CE . LYS A 1 7 ? -5.299 5.052 1.864 1.00 86.48 7 A 1 ATOM 54 N NZ . LYS A 1 7 ? -4.089 4.674 1.078 1.00 77.90 7 A 1 ATOM 55 N N . TYR A 1 8 ? -9.167 3.735 6.755 1.00 98.03 8 A 1 ATOM 56 C CA . TYR A 1 8 ? -10.483 3.095 6.676 1.00 97.97 8 A 1 ATOM 57 C C . TYR A 1 8 ? -11.611 3.971 7.244 1.00 97.95 8 A 1 ATOM 58 O O . TYR A 1 8 ? -12.689 4.091 6.655 1.00 97.78 8 A 1 ATOM 59 C CB . TYR A 1 8 ? -10.428 1.763 7.435 1.00 97.94 8 A 1 ATOM 60 C CG . TYR A 1 8 ? -11.762 1.045 7.477 1.00 97.89 8 A 1 ATOM 61 C CD1 . TYR A 1 8 ? -12.617 1.175 8.593 1.00 97.26 8 A 1 ATOM 62 C CD2 . TYR A 1 8 ? -12.154 0.258 6.381 1.00 97.38 8 A 1 ATOM 63 C CE1 . TYR A 1 8 ? -13.850 0.497 8.618 1.00 96.72 8 A 1 ATOM 64 C CE2 . TYR A 1 8 ? -13.384 -0.421 6.404 1.00 96.73 8 A 1 ATOM 65 C CZ . TYR A 1 8 ? -14.230 -0.307 7.525 1.00 96.66 8 A 1 ATOM 66 O OH . TYR A 1 8 ? -15.405 -0.985 7.555 1.00 95.42 8 A 1 ATOM 67 N N . LEU A 1 9 ? -11.385 4.591 8.406 1.00 98.06 9 A 1 ATOM 68 C CA . LEU A 1 9 ? -12.367 5.482 9.025 1.00 98.05 9 A 1 ATOM 69 C C . LEU A 1 9 ? -12.587 6.749 8.191 1.00 97.97 9 A 1 ATOM 70 O O . LEU A 1 9 ? -13.734 7.132 7.963 1.00 97.82 9 A 1 ATOM 71 C CB . LEU A 1 9 ? -11.915 5.834 10.446 1.00 98.11 9 A 1 ATOM 72 C CG . LEU A 1 9 ? -11.984 4.670 11.450 1.00 97.72 9 A 1 ATOM 73 C CD1 . LEU A 1 9 ? -11.376 5.125 12.778 1.00 97.21 9 A 1 ATOM 74 C CD2 . LEU A 1 9 ? -13.409 4.196 11.706 1.00 97.09 9 A 1 ATOM 75 N N . ASP A 1 10 ? -11.514 7.363 7.710 1.00 97.74 10 A 1 ATOM 76 C CA . ASP A 1 10 ? -11.554 8.577 6.896 1.00 97.43 10 A 1 ATOM 77 C C . ASP A 1 10 ? -12.346 8.337 5.593 1.00 97.26 10 A 1 ATOM 78 O O . ASP A 1 10 ? -13.195 9.160 5.243 1.00 96.41 10 A 1 ATOM 79 C CB . ASP A 1 10 ? -10.112 9.083 6.622 1.00 96.89 10 A 1 ATOM 80 C CG . ASP A 1 10 ? -9.384 9.712 7.842 1.00 94.83 10 A 1 ATOM 81 O OD1 . ASP A 1 10 ? -10.054 10.080 8.836 1.00 91.82 10 A 1 ATOM 82 O OD2 . ASP A 1 10 ? -8.139 9.901 7.788 1.00 91.92 10 A 1 ATOM 83 N N . SER A 1 11 ? -12.189 7.172 4.942 1.00 97.55 11 A 1 ATOM 84 C CA . SER A 1 11 ? -12.957 6.808 3.731 1.00 97.00 11 A 1 ATOM 85 C C . SER A 1 11 ? -14.471 6.699 3.979 1.00 97.03 11 A 1 ATOM 86 O O . SER A 1 11 ? -15.281 6.906 3.076 1.00 95.93 11 A 1 ATOM 87 C CB . SER A 1 11 ? -12.429 5.493 3.127 1.00 96.18 11 A 1 ATOM 88 O OG . SER A 1 11 ? -12.864 4.366 3.863 1.00 92.43 11 A 1 ATOM 89 N N . ARG A 1 12 ? -14.861 6.436 5.223 1.00 97.40 12 A 1 ATOM 90 C CA . ARG A 1 12 ? -16.264 6.316 5.660 1.00 97.06 12 A 1 ATOM 91 C C . ARG A 1 12 ? -16.795 7.562 6.384 1.00 97.64 12 A 1 ATOM 92 O O . ARG A 1 12 ? -17.925 7.553 6.879 1.00 96.88 12 A 1 ATOM 93 C CB . ARG A 1 12 ? -16.410 5.023 6.486 1.00 96.09 12 A 1 ATOM 94 C CG . ARG A 1 12 ? -16.149 3.780 5.613 1.00 93.87 12 A 1 ATOM 95 C CD . ARG A 1 12 ? -16.269 2.482 6.419 1.00 91.64 12 A 1 ATOM 96 N NE . ARG A 1 12 ? -15.994 1.297 5.574 1.00 88.99 12 A 1 ATOM 97 C CZ . ARG A 1 12 ? -16.846 0.566 4.875 1.00 86.41 12 A 1 ATOM 98 N NH1 . ARG A 1 12 ? -18.125 0.794 4.877 1.00 79.71 12 A 1 ATOM 99 N NH2 . ARG A 1 12 ? -16.417 -0.428 4.145 1.00 81.04 12 A 1 ATOM 100 N N . GLY A 1 13 ? -16.003 8.632 6.480 1.00 97.80 13 A 1 ATOM 101 C CA . GLY A 1 13 ? -16.361 9.854 7.220 1.00 97.88 13 A 1 ATOM 102 C C . GLY A 1 13 ? -16.442 9.658 8.739 1.00 98.14 13 A 1 ATOM 103 O O . GLY A 1 13 ? -17.172 10.379 9.423 1.00 97.45 13 A 1 ATOM 104 N N . TRP A 1 14 ? -15.710 8.675 9.272 1.00 98.18 14 A 1 ATOM 105 C CA . TRP A 1 14 ? -15.640 8.377 10.704 1.00 98.28 14 A 1 ATOM 106 C C . TRP A 1 14 ? -14.356 8.910 11.344 1.00 98.31 14 A 1 ATOM 107 O O . TRP A 1 14 ? -13.341 9.150 10.702 1.00 97.77 14 A 1 ATOM 108 C CB . TRP A 1 14 ? -15.786 6.867 10.948 1.00 98.15 14 A 1 ATOM 109 C CG . TRP A 1 14 ? -17.191 6.341 10.929 1.00 98.10 14 A 1 ATOM 110 C CD1 . TRP A 1 14 ? -18.065 6.445 9.900 1.00 97.23 14 A 1 ATOM 111 C CD2 . TRP A 1 14 ? -17.904 5.624 11.988 1.00 98.09 14 A 1 ATOM 112 N NE1 . TRP A 1 14 ? -19.265 5.855 10.243 1.00 97.33 14 A 1 ATOM 113 C CE2 . TRP A 1 14 ? -19.223 5.330 11.523 1.00 97.84 14 A 1 ATOM 114 C CE3 . TRP A 1 14 ? -17.567 5.200 13.291 1.00 97.56 14 A 1 ATOM 115 C CZ2 . TRP A 1 14 ? -20.165 4.654 12.314 1.00 97.20 14 A 1 ATOM 116 C CZ3 . TRP A 1 14 ? -18.507 4.515 14.092 1.00 97.16 14 A 1 ATOM 117 C CH2 . TRP A 1 14 ? -19.804 4.246 13.606 1.00 96.95 14 A 1 ATOM 118 N N . THR A 1 15 ? -14.386 9.040 12.670 1.00 97.80 15 A 1 ATOM 119 C CA . THR A 1 15 ? -13.213 9.393 13.482 1.00 97.76 15 A 1 ATOM 120 C C . THR A 1 15 ? -12.897 8.281 14.484 1.00 97.83 15 A 1 ATOM 121 O O . THR A 1 15 ? -13.782 7.532 14.912 1.00 97.69 15 A 1 ATOM 122 C CB . THR A 1 15 ? -13.418 10.724 14.222 1.00 97.59 15 A 1 ATOM 123 O OG1 . THR A 1 15 ? -14.468 10.608 15.159 1.00 96.59 15 A 1 ATOM 124 C CG2 . THR A 1 15 ? -13.753 11.892 13.291 1.00 95.81 15 A 1 ATOM 125 N N . ILE A 1 16 ? -11.649 8.237 14.961 1.00 97.59 16 A 1 ATOM 126 C CA . ILE A 1 16 ? -11.236 7.327 16.050 1.00 97.49 16 A 1 ATOM 127 C C . ILE A 1 16 ? -12.112 7.511 17.306 1.00 97.68 16 A 1 ATOM 128 O O . ILE A 1 16 ? -12.396 6.552 18.020 1.00 97.51 16 A 1 ATOM 129 C CB . ILE A 1 16 ? -9.730 7.537 16.371 1.00 96.90 16 A 1 ATOM 130 C CG1 . ILE A 1 16 ? -8.867 7.049 15.179 1.00 95.87 16 A 1 ATOM 131 C CG2 . ILE A 1 16 ? -9.309 6.826 17.673 1.00 95.87 16 A 1 ATOM 132 C CD1 . ILE A 1 16 ? -7.358 7.314 15.326 1.00 92.59 16 A 1 ATOM 133 N N . TYR A 1 17 ? -12.587 8.727 17.563 1.00 97.53 17 A 1 ATOM 134 C CA . TYR A 1 17 ? -13.486 9.004 18.689 1.00 97.42 17 A 1 ATOM 135 C C . TYR A 1 17 ? -14.858 8.344 18.509 1.00 97.77 17 A 1 ATOM 136 O O . TYR A 1 17 ? -15.366 7.723 19.445 1.00 97.73 17 A 1 ATOM 137 C CB . TYR A 1 17 ? -13.644 10.519 18.876 1.00 96.80 17 A 1 ATOM 138 C CG . TYR A 1 17 ? -12.389 11.210 19.368 1.00 88.57 17 A 1 ATOM 139 C CD1 . TYR A 1 17 ? -12.112 11.251 20.750 1.00 82.91 17 A 1 ATOM 140 C CD2 . TYR A 1 17 ? -11.492 11.807 18.457 1.00 83.30 17 A 1 ATOM 141 C CE1 . TYR A 1 17 ? -10.944 11.883 21.222 1.00 77.58 17 A 1 ATOM 142 C CE2 . TYR A 1 17 ? -10.318 12.435 18.924 1.00 77.68 17 A 1 ATOM 143 C CZ . TYR A 1 17 ? -10.045 12.471 20.311 1.00 77.02 17 A 1 ATOM 144 O OH . TYR A 1 17 ? -8.911 13.073 20.767 1.00 71.15 17 A 1 ATOM 145 N N . GLN A 1 18 ? -15.443 8.436 17.314 1.00 98.04 18 A 1 ATOM 146 C CA . GLN A 1 18 ? -16.715 7.773 17.006 1.00 98.28 18 A 1 ATOM 147 C C . GLN A 1 18 ? -16.573 6.249 17.092 1.00 98.46 18 A 1 ATOM 148 O O . GLN A 1 18 ? -17.403 5.611 17.737 1.00 98.40 18 A 1 ATOM 149 C CB . GLN A 1 18 ? -17.198 8.191 15.614 1.00 98.25 18 A 1 ATOM 150 C CG . GLN A 1 18 ? -17.748 9.625 15.591 1.00 96.71 18 A 1 ATOM 151 C CD . GLN A 1 18 ? -17.831 10.165 14.172 1.00 95.69 18 A 1 ATOM 152 O OE1 . GLN A 1 18 ? -16.846 10.187 13.460 1.00 89.83 18 A 1 ATOM 153 N NE2 . GLN A 1 18 ? -18.968 10.635 13.716 1.00 86.96 18 A 1 ATOM 154 N N . LEU A 1 19 ? -15.493 5.685 16.537 1.00 98.41 19 A 1 ATOM 155 C CA . LEU A 1 19 ? -15.219 4.250 16.642 1.00 98.46 19 A 1 ATOM 156 C C . LEU A 1 19 ? -15.050 3.807 18.103 1.00 98.54 19 A 1 ATOM 157 O O . LEU A 1 19 ? -15.611 2.795 18.511 1.00 98.48 19 A 1 ATOM 158 C CB . LEU A 1 19 ? -13.972 3.901 15.805 1.00 98.38 19 A 1 ATOM 159 C CG . LEU A 1 19 ? -13.662 2.389 15.800 1.00 98.04 19 A 1 ATOM 160 C CD1 . LEU A 1 19 ? -14.755 1.582 15.094 1.00 97.39 19 A 1 ATOM 161 C CD2 . LEU A 1 19 ? -12.331 2.115 15.118 1.00 97.35 19 A 1 ATOM 162 N N . GLY A 1 20 ? -14.311 4.570 18.905 1.00 98.25 20 A 1 ATOM 163 C CA . GLY A 1 20 ? -14.147 4.301 20.336 1.00 98.26 20 A 1 ATOM 164 C C . GLY A 1 20 ? -15.479 4.273 21.086 1.00 98.46 20 A 1 ATOM 165 O O . GLY A 1 20 ? -15.751 3.332 21.827 1.00 98.32 20 A 1 ATOM 166 N N . ASN A 1 21 ? -16.340 5.247 20.828 1.00 98.16 21 A 1 ATOM 167 C CA . ASN A 1 21 ? -17.665 5.301 21.448 1.00 98.14 21 A 1 ATOM 168 C C . ASN A 1 21 ? -18.567 4.137 21.004 1.00 98.22 21 A 1 ATOM 169 O O . ASN A 1 21 ? -19.282 3.576 21.830 1.00 97.65 21 A 1 ATOM 170 C CB . ASN A 1 21 ? -18.314 6.654 21.115 1.00 97.84 21 A 1 ATOM 171 C CG . ASN A 1 21 ? -17.634 7.839 21.781 1.00 95.63 21 A 1 ATOM 172 O OD1 . ASN A 1 21 ? -16.878 7.736 22.733 1.00 87.44 21 A 1 ATOM 173 N ND2 . ASN A 1 21 ? -17.912 9.031 21.309 1.00 86.94 21 A 1 ATOM 174 N N . ALA A 1 22 ? -18.520 3.761 19.725 1.00 98.27 22 A 1 ATOM 175 C CA . ALA A 1 22 ? -19.342 2.680 19.181 1.00 98.31 22 A 1 ATOM 176 C C . ALA A 1 22 ? -18.886 1.288 19.653 1.00 98.34 22 A 1 ATOM 177 O O . ALA A 1 22 ? -19.711 0.437 19.973 1.00 97.84 22 A 1 ATOM 178 C CB . ALA A 1 22 ? -19.322 2.802 17.654 1.00 98.24 22 A 1 ATOM 179 N N . THR A 1 23 ? -17.573 1.068 19.747 1.00 98.30 23 A 1 ATOM 180 C CA . THR A 1 23 ? -16.985 -0.219 20.174 1.00 98.21 23 A 1 ATOM 181 C C . THR A 1 23 ? -16.838 -0.361 21.690 1.00 98.12 23 A 1 ATOM 182 O O . THR A 1 23 ? -16.624 -1.464 22.199 1.00 97.54 23 A 1 ATOM 183 C CB . THR A 1 23 ? -15.599 -0.423 19.546 1.00 98.00 23 A 1 ATOM 184 O OG1 . THR A 1 23 ? -14.743 0.648 19.885 1.00 97.28 23 A 1 ATOM 185 C CG2 . THR A 1 23 ? -15.632 -0.534 18.027 1.00 97.09 23 A 1 ATOM 186 N N . GLY A 1 24 ? -16.873 0.747 22.435 1.00 97.78 24 A 1 ATOM 187 C CA . GLY A 1 24 ? -16.493 0.795 23.849 1.00 97.46 24 A 1 ATOM 188 C C . GLY A 1 24 ? -14.981 0.665 24.099 1.00 97.63 24 A 1 ATOM 189 O O . GLY A 1 24 ? -14.555 0.513 25.249 1.00 96.38 24 A 1 ATOM 190 N N . LEU A 1 25 ? -14.147 0.726 23.054 1.00 97.53 25 A 1 ATOM 191 C CA . LEU A 1 25 ? -12.688 0.714 23.175 1.00 97.39 25 A 1 ATOM 192 C C . LEU A 1 25 ? -12.167 2.110 23.538 1.00 97.56 25 A 1 ATOM 193 O O . LEU A 1 25 ? -12.606 3.124 22.999 1.00 97.16 25 A 1 ATOM 194 C CB . LEU A 1 25 ? -12.038 0.217 21.873 1.00 97.04 25 A 1 ATOM 195 C CG . LEU A 1 25 ? -12.321 -1.258 21.530 1.00 96.30 25 A 1 ATOM 196 C CD1 . LEU A 1 25 ? -11.765 -1.574 20.138 1.00 94.98 25 A 1 ATOM 197 C CD2 . LEU A 1 25 ? -11.671 -2.221 22.532 1.00 94.96 25 A 1 ATOM 198 N N . ALA A 1 26 ? -11.159 2.166 24.406 1.00 97.69 26 A 1 ATOM 199 C CA . ALA A 1 26 ? -10.468 3.425 24.660 1.00 97.58 26 A 1 ATOM 200 C C . ALA A 1 26 ? -9.803 3.940 23.369 1.00 97.59 26 A 1 ATOM 201 O O . ALA A 1 26 ? -9.153 3.180 22.651 1.00 97.06 26 A 1 ATOM 202 C CB . ALA A 1 26 ? -9.449 3.225 25.793 1.00 97.12 26 A 1 ATOM 203 N N . HIS A 1 27 ? -9.882 5.245 23.106 1.00 97.25 27 A 1 ATOM 204 C CA . HIS A 1 27 ? -9.294 5.858 21.899 1.00 96.76 27 A 1 ATOM 205 C C . HIS A 1 27 ? -7.793 5.571 21.769 1.00 96.94 27 A 1 ATOM 206 O O . HIS A 1 27 ? -7.289 5.373 20.669 1.00 96.31 27 A 1 ATOM 207 C CB . HIS A 1 27 ? -9.514 7.383 21.932 1.00 95.15 27 A 1 ATOM 208 C CG . HIS A 1 27 ? -10.945 7.816 22.135 1.00 87.20 27 A 1 ATOM 209 N ND1 . HIS A 1 27 ? -11.365 8.913 22.870 1.00 73.09 27 A 1 ATOM 210 C CD2 . HIS A 1 27 ? -12.064 7.183 21.671 1.00 71.66 27 A 1 ATOM 211 C CE1 . HIS A 1 27 ? -12.707 8.924 22.852 1.00 68.91 27 A 1 ATOM 212 N NE2 . HIS A 1 27 ? -13.171 7.889 22.140 1.00 69.85 27 A 1 ATOM 213 N N . GLN A 1 28 ? -7.082 5.492 22.904 1.00 97.01 28 A 1 ATOM 214 C CA . GLN A 1 28 ? -5.661 5.144 22.919 1.00 97.18 28 A 1 ATOM 215 C C . GLN A 1 28 ? -5.403 3.693 22.493 1.00 97.46 28 A 1 ATOM 216 O O . GLN A 1 28 ? -4.384 3.420 21.870 1.00 96.89 28 A 1 ATOM 217 C CB . GLN A 1 28 ? -5.078 5.431 24.308 1.00 96.58 28 A 1 ATOM 218 C CG . GLN A 1 28 ? -3.537 5.362 24.330 1.00 85.50 28 A 1 ATOM 219 C CD . GLN A 1 28 ? -2.877 6.382 23.403 1.00 78.88 28 A 1 ATOM 220 O OE1 . GLN A 1 28 ? -3.451 7.402 23.029 1.00 72.04 28 A 1 ATOM 221 N NE2 . GLN A 1 28 ? -1.657 6.148 22.982 1.00 67.25 28 A 1 ATOM 222 N N . THR A 1 29 ? -6.326 2.776 22.795 1.00 97.14 29 A 1 ATOM 223 C CA . THR A 1 29 ? -6.247 1.382 22.326 1.00 97.02 29 A 1 ATOM 224 C C . THR A 1 29 ? -6.366 1.313 20.807 1.00 97.29 29 A 1 ATOM 225 O O . THR A 1 29 ? -5.588 0.603 20.182 1.00 96.83 29 A 1 ATOM 226 C CB . THR A 1 29 ? -7.337 0.512 22.972 1.00 96.44 29 A 1 ATOM 227 O OG1 . THR A 1 29 ? -7.230 0.582 24.379 1.00 94.49 29 A 1 ATOM 228 C CG2 . THR A 1 29 ? -7.240 -0.964 22.588 1.00 94.66 29 A 1 ATOM 229 N N . ILE A 1 30 ? -7.278 2.087 20.224 1.00 97.45 30 A 1 ATOM 230 C CA . ILE A 1 30 ? -7.454 2.155 18.766 1.00 97.59 30 A 1 ATOM 231 C C . ILE A 1 30 ? -6.221 2.779 18.102 1.00 97.59 30 A 1 ATOM 232 O O . ILE A 1 30 ? -5.678 2.193 17.177 1.00 97.48 30 A 1 ATOM 233 C CB . ILE A 1 30 ? -8.748 2.911 18.400 1.00 97.62 30 A 1 ATOM 234 C CG1 . ILE A 1 30 ? -9.980 2.208 19.021 1.00 97.18 30 A 1 ATOM 235 C CG2 . ILE A 1 30 ? -8.900 3.011 16.867 1.00 97.24 30 A 1 ATOM 236 C CD1 . ILE A 1 30 ? -11.262 3.028 18.930 1.00 96.29 30 A 1 ATOM 237 N N . ARG A 1 31 ? -5.702 3.895 18.624 1.00 97.42 31 A 1 ATOM 238 C CA . ARG A 1 31 ? -4.458 4.511 18.115 1.00 97.17 31 A 1 ATOM 239 C C . ARG A 1 31 ? -3.258 3.572 18.204 1.00 97.12 31 A 1 ATOM 240 O O . ARG A 1 31 ? -2.442 3.541 17.301 1.00 96.79 31 A 1 ATOM 241 C CB . ARG A 1 31 ? -4.139 5.792 18.887 1.00 96.73 31 A 1 ATOM 242 C CG . ARG A 1 31 ? -5.099 6.934 18.544 1.00 93.07 31 A 1 ATOM 243 C CD . ARG A 1 31 ? -4.732 8.151 19.389 1.00 90.42 31 A 1 ATOM 244 N NE . ARG A 1 31 ? -5.676 9.265 19.170 1.00 84.61 31 A 1 ATOM 245 C CZ . ARG A 1 31 ? -5.953 10.227 20.022 1.00 78.81 31 A 1 ATOM 246 N NH1 . ARG A 1 31 ? -5.377 10.310 21.195 1.00 68.52 31 A 1 ATOM 247 N NH2 . ARG A 1 31 ? -6.827 11.139 19.706 1.00 71.29 31 A 1 ATOM 248 N N . SER A 1 32 ? -3.153 2.816 19.299 1.00 96.95 32 A 1 ATOM 249 C CA . SER A 1 32 ? -2.084 1.822 19.446 1.00 96.75 32 A 1 ATOM 250 C C . SER A 1 32 ? -2.248 0.638 18.498 1.00 96.77 32 A 1 ATOM 251 O O . SER A 1 32 ? -1.246 0.030 18.146 1.00 96.06 32 A 1 ATOM 252 C CB . SER A 1 32 ? -2.034 1.310 20.887 1.00 96.30 32 A 1 ATOM 253 O OG . SER A 1 32 ? -0.998 0.352 21.033 1.00 82.71 32 A 1 ATOM 254 N N . ALA A 1 33 ? -3.473 0.265 18.154 1.00 97.21 33 A 1 ATOM 255 C CA . ALA A 1 33 ? -3.741 -0.758 17.149 1.00 97.01 33 A 1 ATOM 256 C C . ALA A 1 33 ? -3.392 -0.244 15.744 1.00 97.06 33 A 1 ATOM 257 O O . ALA A 1 33 ? -2.704 -0.932 15.009 1.00 96.65 33 A 1 ATOM 258 C CB . ALA A 1 33 ? -5.208 -1.189 17.282 1.00 96.79 33 A 1 ATOM 259 N N . ASP A 1 34 ? -3.758 0.992 15.447 1.00 97.25 34 A 1 ATOM 260 C CA . ASP A 1 34 ? -3.474 1.681 14.184 1.00 97.18 34 A 1 ATOM 261 C C . ASP A 1 34 ? -1.972 1.918 13.924 1.00 97.00 34 A 1 ATOM 262 O O . ASP A 1 34 ? -1.567 2.097 12.788 1.00 96.09 34 A 1 ATOM 263 C CB . ASP A 1 34 ? -4.235 3.016 14.218 1.00 96.78 34 A 1 ATOM 264 C CG . ASP A 1 34 ? -4.346 3.706 12.863 1.00 96.64 34 A 1 ATOM 265 O OD1 . ASP A 1 34 ? -4.642 3.005 11.875 1.00 94.84 34 A 1 ATOM 266 O OD2 . ASP A 1 34 ? -4.243 4.952 12.839 1.00 94.65 34 A 1 ATOM 267 N N . SER A 1 35 ? -1.134 1.909 14.964 1.00 97.02 35 A 1 ATOM 268 C CA . SER A 1 35 ? 0.324 2.034 14.813 1.00 96.66 35 A 1 ATOM 269 C C . SER A 1 35 ? 1.049 0.698 14.592 1.00 96.42 35 A 1 ATOM 270 O O . SER A 1 35 ? 2.282 0.670 14.601 1.00 94.78 35 A 1 ATOM 271 C CB . SER A 1 35 ? 0.913 2.785 16.011 1.00 95.97 35 A 1 ATOM 272 O OG . SER A 1 35 ? 0.928 1.980 17.178 1.00 87.66 35 A 1 ATOM 273 N N . LYS A 1 36 ? 0.312 -0.401 14.493 1.00 96.54 36 A 1 ATOM 274 C CA . LYS A 1 36 ? 0.815 -1.770 14.312 1.00 96.01 36 A 1 ATOM 275 C C . LYS A 1 36 ? 0.391 -2.301 12.945 1.00 96.37 36 A 1 ATOM 276 O O . LYS A 1 36 ? -0.373 -1.641 12.251 1.00 95.41 36 A 1 ATOM 277 C CB . LYS A 1 36 ? 0.267 -2.657 15.433 1.00 94.92 36 A 1 ATOM 278 C CG . LYS A 1 36 ? 0.821 -2.269 16.808 1.00 92.08 36 A 1 ATOM 279 C CD . LYS A 1 36 ? 0.166 -3.158 17.863 1.00 88.80 36 A 1 ATOM 280 C CE . LYS A 1 36 ? 0.686 -2.770 19.242 1.00 84.13 36 A 1 ATOM 281 N NZ . LYS A 1 36 ? 0.121 -3.685 20.256 1.00 75.48 36 A 1 ATOM 282 N N . THR A 1 37 ? 0.860 -3.493 12.589 1.00 96.83 37 A 1 ATOM 283 C CA . THR A 1 37 ? 0.372 -4.216 11.409 1.00 96.89 37 A 1 ATOM 284 C C . THR A 1 37 ? -0.997 -4.842 11.678 1.00 97.23 37 A 1 ATOM 285 O O . THR A 1 37 ? -1.383 -5.045 12.841 1.00 96.99 37 A 1 ATOM 286 C CB . THR A 1 37 ? 1.367 -5.301 10.957 1.00 96.23 37 A 1 ATOM 287 O OG1 . THR A 1 37 ? 1.510 -6.277 11.960 1.00 94.01 37 A 1 ATOM 288 C CG2 . THR A 1 37 ? 2.762 -4.732 10.685 1.00 93.29 37 A 1 ATOM 289 N N . VAL A 1 38 ? -1.725 -5.186 10.614 1.00 96.75 38 A 1 ATOM 290 C CA . VAL A 1 38 ? -3.014 -5.896 10.702 1.00 97.18 38 A 1 ATOM 291 C C . VAL A 1 38 ? -2.864 -7.216 11.470 1.00 97.26 38 A 1 ATOM 292 O O . VAL A 1 38 ? -3.673 -7.503 12.358 1.00 97.02 38 A 1 ATOM 293 C CB . VAL A 1 38 ? -3.612 -6.118 9.297 1.00 97.02 38 A 1 ATOM 294 C CG1 . VAL A 1 38 ? -4.925 -6.909 9.364 1.00 96.39 38 A 1 ATOM 295 C CG2 . VAL A 1 38 ? -3.922 -4.777 8.621 1.00 96.53 38 A 1 ATOM 296 N N . ASP A 1 39 ? -1.779 -7.954 11.257 1.00 96.95 39 A 1 ATOM 297 C CA . ASP A 1 39 ? -1.453 -9.208 11.962 1.00 96.73 39 A 1 ATOM 298 C C . ASP A 1 39 ? -1.354 -9.057 13.489 1.00 96.93 39 A 1 ATOM 299 O O . ASP A 1 39 ? -1.532 -10.006 14.257 1.00 96.20 39 A 1 ATOM 300 C CB . ASP A 1 39 ? -0.094 -9.730 11.466 1.00 95.88 39 A 1 ATOM 301 C CG . ASP A 1 39 ? -0.132 -10.316 10.060 1.00 93.13 39 A 1 ATOM 302 O OD1 . ASP A 1 39 ? -1.221 -10.786 9.668 1.00 89.59 39 A 1 ATOM 303 O OD2 . ASP A 1 39 ? 0.956 -10.355 9.445 1.00 89.13 39 A 1 ATOM 304 N N . GLN A 1 40 ? -1.047 -7.853 13.965 1.00 97.11 40 A 1 ATOM 305 C CA . GLN A 1 40 ? -0.902 -7.556 15.390 1.00 96.98 40 A 1 ATOM 306 C C . GLN A 1 40 ? -2.213 -7.109 16.049 1.00 97.07 40 A 1 ATOM 307 O O . GLN A 1 40 ? -2.234 -6.815 17.257 1.00 96.32 40 A 1 ATOM 308 C CB . GLN A 1 40 ? 0.215 -6.525 15.574 1.00 96.39 40 A 1 ATOM 309 C CG . GLN A 1 40 ? 1.597 -7.091 15.198 1.00 93.83 40 A 1 ATOM 310 C CD . GLN A 1 40 ? 2.696 -6.036 15.316 1.00 90.73 40 A 1 ATOM 311 O OE1 . GLN A 1 40 ? 2.500 -4.840 15.174 1.00 83.35 40 A 1 ATOM 312 N NE2 . GLN A 1 40 ? 3.908 -6.436 15.631 1.00 79.20 40 A 1 ATOM 313 N N . LEU A 1 41 ? -3.318 -7.049 15.301 1.00 96.84 41 A 1 ATOM 314 C CA . LEU A 1 41 ? -4.635 -6.767 15.855 1.00 96.77 41 A 1 ATOM 315 C C . LEU A 1 41 ? -5.106 -7.909 16.761 1.00 97.04 41 A 1 ATOM 316 O O . LEU A 1 41 ? -5.021 -9.090 16.456 1.00 96.43 41 A 1 ATOM 317 C CB . LEU A 1 41 ? -5.661 -6.500 14.743 1.00 96.20 41 A 1 ATOM 318 C CG . LEU A 1 41 ? -5.493 -5.158 14.010 1.00 94.13 41 A 1 ATOM 319 C CD1 . LEU A 1 41 ? -6.616 -5.047 12.978 1.00 91.59 41 A 1 ATOM 320 C CD2 . LEU A 1 41 ? -5.610 -3.967 14.965 1.00 91.39 41 A 1 ATOM 321 N N . SER A 1 42 ? -5.680 -7.541 17.905 1.00 97.06 42 A 1 ATOM 322 C CA . SER A 1 42 ? -6.336 -8.540 18.744 1.00 96.92 42 A 1 ATOM 323 C C . SER A 1 42 ? -7.667 -8.970 18.123 1.00 97.22 42 A 1 ATOM 324 O O . SER A 1 42 ? -8.452 -8.123 17.692 1.00 96.86 42 A 1 ATOM 325 C CB . SER A 1 42 ? -6.512 -8.039 20.182 1.00 96.10 42 A 1 ATOM 326 O OG . SER A 1 42 ? -7.566 -7.103 20.302 1.00 91.74 42 A 1 ATOM 327 N N . ALA A 1 43 ? -7.995 -10.264 18.213 1.00 97.51 43 A 1 ATOM 328 C CA . ALA A 1 43 ? -9.287 -10.791 17.757 1.00 97.62 43 A 1 ATOM 329 C C . ALA A 1 43 ? -10.492 -10.050 18.372 1.00 97.70 43 A 1 ATOM 330 O O . ALA A 1 43 ? -11.528 -9.878 17.734 1.00 97.10 43 A 1 ATOM 331 C CB . ALA A 1 43 ? -9.333 -12.285 18.109 1.00 97.04 43 A 1 ATOM 332 N N . LYS A 1 44 ? -10.344 -9.554 19.611 1.00 97.25 44 A 1 ATOM 333 C CA . LYS A 1 44 ? -11.365 -8.718 20.256 1.00 97.08 44 A 1 ATOM 334 C C . LYS A 1 44 ? -11.583 -7.404 19.503 1.00 97.33 44 A 1 ATOM 335 O O . LYS A 1 44 ? -12.729 -7.026 19.298 1.00 96.89 44 A 1 ATOM 336 C CB . LYS A 1 44 ? -10.989 -8.466 21.727 1.00 96.32 44 A 1 ATOM 337 C CG . LYS A 1 44 ? -12.054 -7.622 22.445 1.00 91.85 44 A 1 ATOM 338 C CD . LYS A 1 44 ? -11.667 -7.323 23.901 1.00 87.66 44 A 1 ATOM 339 C CE . LYS A 1 44 ? -12.726 -6.400 24.505 1.00 78.97 44 A 1 ATOM 340 N NZ . LYS A 1 44 ? -12.381 -5.974 25.885 1.00 71.41 44 A 1 ATOM 341 N N . ASN A 1 45 ? -10.505 -6.708 19.126 1.00 97.20 45 A 1 ATOM 342 C CA . ASN A 1 45 ? -10.607 -5.434 18.413 1.00 97.11 45 A 1 ATOM 343 C C . ASN A 1 45 ? -11.220 -5.640 17.029 1.00 97.55 45 A 1 ATOM 344 O O . ASN A 1 45 ? -12.163 -4.937 16.692 1.00 97.28 45 A 1 ATOM 345 C CB . ASN A 1 45 ? -9.228 -4.756 18.318 1.00 96.26 45 A 1 ATOM 346 C CG . ASN A 1 45 ? -8.678 -4.260 19.645 1.00 93.46 45 A 1 ATOM 347 O OD1 . ASN A 1 45 ? -9.291 -4.330 20.701 1.00 87.39 45 A 1 ATOM 348 N ND2 . ASN A 1 45 ? -7.471 -3.739 19.628 1.00 85.87 45 A 1 ATOM 349 N N . VAL A 1 46 ? -10.753 -6.651 16.290 1.00 97.53 46 A 1 ATOM 350 C CA . VAL A 1 46 ? -11.305 -7.029 14.979 1.00 97.77 46 A 1 ATOM 351 C C . VAL A 1 46 ? -12.810 -7.262 15.077 1.00 98.02 46 A 1 ATOM 352 O O . VAL A 1 46 ? -13.576 -6.612 14.376 1.00 97.89 46 A 1 ATOM 353 C CB . VAL A 1 46 ? -10.597 -8.283 14.428 1.00 97.43 46 A 1 ATOM 354 C CG1 . VAL A 1 46 ? -11.197 -8.733 13.093 1.00 96.63 46 A 1 ATOM 355 C CG2 . VAL A 1 46 ? -9.101 -8.028 14.226 1.00 96.71 46 A 1 ATOM 356 N N . ARG A 1 47 ? -13.255 -8.113 16.007 1.00 98.09 47 A 1 ATOM 357 C CA . ARG A 1 47 ? -14.683 -8.404 16.201 1.00 98.02 47 A 1 ATOM 358 C C . ARG A 1 47 ? -15.505 -7.150 16.508 1.00 98.14 47 A 1 ATOM 359 O O . ARG A 1 47 ? -16.558 -6.965 15.923 1.00 97.96 47 A 1 ATOM 360 C CB . ARG A 1 47 ? -14.850 -9.459 17.306 1.00 97.50 47 A 1 ATOM 361 C CG . ARG A 1 47 ? -16.323 -9.894 17.452 1.00 89.08 47 A 1 ATOM 362 C CD . ARG A 1 47 ? -16.517 -10.899 18.588 1.00 87.04 47 A 1 ATOM 363 N NE . ARG A 1 47 ? -16.265 -10.298 19.920 1.00 75.08 47 A 1 ATOM 364 C CZ . ARG A 1 47 ? -17.125 -9.602 20.644 1.00 68.25 47 A 1 ATOM 365 N NH1 . ARG A 1 47 ? -18.350 -9.383 20.268 1.00 60.76 47 A 1 ATOM 366 N NH2 . ARG A 1 47 ? -16.755 -9.101 21.785 1.00 56.88 47 A 1 ATOM 367 N N . LEU A 1 48 ? -15.037 -6.305 17.439 1.00 97.83 48 A 1 ATOM 368 C CA . LEU A 1 48 ? -15.777 -5.097 17.833 1.00 97.89 48 A 1 ATOM 369 C C . LEU A 1 48 ? -15.885 -4.082 16.689 1.00 98.05 48 A 1 ATOM 370 O O . LEU A 1 48 ? -16.925 -3.457 16.537 1.00 97.81 48 A 1 ATOM 371 C CB . LEU A 1 48 ? -15.104 -4.448 19.051 1.00 97.81 48 A 1 ATOM 372 C CG . LEU A 1 48 ? -15.279 -5.216 20.375 1.00 96.83 48 A 1 ATOM 373 C CD1 . LEU A 1 48 ? -14.407 -4.567 21.453 1.00 95.41 48 A 1 ATOM 374 C CD2 . LEU A 1 48 ? -16.724 -5.205 20.875 1.00 95.38 48 A 1 ATOM 375 N N . ILE A 1 49 ? -14.827 -3.925 15.894 1.00 98.06 49 A 1 ATOM 376 C CA . ILE A 1 49 ? -14.841 -3.029 14.730 1.00 98.04 49 A 1 ATOM 377 C C . ILE A 1 49 ? -15.762 -3.595 13.644 1.00 98.13 49 A 1 ATOM 378 O O . ILE A 1 49 ? -16.611 -2.869 13.135 1.00 98.00 49 A 1 ATOM 379 C CB . ILE A 1 49 ? -13.403 -2.774 14.220 1.00 97.88 49 A 1 ATOM 380 C CG1 . ILE A 1 49 ? -12.562 -2.037 15.296 1.00 97.49 49 A 1 ATOM 381 C CG2 . ILE A 1 49 ? -13.439 -1.931 12.932 1.00 97.47 49 A 1 ATOM 382 C CD1 . ILE A 1 49 ? -11.059 -1.988 15.000 1.00 96.60 49 A 1 ATOM 383 N N . ALA A 1 50 ? -15.672 -4.886 13.364 1.00 98.19 50 A 1 ATOM 384 C CA . ALA A 1 50 ? -16.536 -5.559 12.397 1.00 98.23 50 A 1 ATOM 385 C C . ALA A 1 50 ? -18.028 -5.398 12.743 1.00 98.24 50 A 1 ATOM 386 O O . ALA A 1 50 ? -18.826 -5.015 11.890 1.00 98.02 50 A 1 ATOM 387 C CB . ALA A 1 50 ? -16.119 -7.034 12.343 1.00 98.07 50 A 1 ATOM 388 N N . GLU A 1 51 ? -18.393 -5.593 14.015 1.00 98.17 51 A 1 ATOM 389 C CA . GLU A 1 51 ? -19.775 -5.420 14.493 1.00 98.11 51 A 1 ATOM 390 C C . GLU A 1 51 ? -20.314 -3.995 14.258 1.00 98.20 51 A 1 ATOM 391 O O . GLU A 1 51 ? -21.478 -3.835 13.894 1.00 97.62 51 A 1 ATOM 392 C CB . GLU A 1 51 ? -19.850 -5.774 15.996 1.00 97.71 51 A 1 ATOM 393 C CG . GLU A 1 51 ? -19.850 -7.294 16.257 1.00 92.50 51 A 1 ATOM 394 C CD . GLU A 1 51 ? -19.699 -7.699 17.742 1.00 90.31 51 A 1 ATOM 395 O OE1 . GLU A 1 51 ? -19.566 -8.920 18.013 1.00 83.37 51 A 1 ATOM 396 O OE2 . GLU A 1 51 ? -19.648 -6.852 18.664 1.00 85.39 51 A 1 ATOM 397 N N . VAL A 1 52 ? -19.478 -2.965 14.439 1.00 98.19 52 A 1 ATOM 398 C CA . VAL A 1 52 ? -19.879 -1.561 14.219 1.00 98.14 52 A 1 ATOM 399 C C . VAL A 1 52 ? -20.215 -1.286 12.754 1.00 98.09 52 A 1 ATOM 400 O O . VAL A 1 52 ? -21.150 -0.538 12.472 1.00 97.53 52 A 1 ATOM 401 C CB . VAL A 1 52 ? -18.783 -0.601 14.723 1.00 97.92 52 A 1 ATOM 402 C CG1 . VAL A 1 52 ? -18.984 0.858 14.286 1.00 96.95 52 A 1 ATOM 403 C CG2 . VAL A 1 52 ? -18.756 -0.598 16.257 1.00 97.04 52 A 1 ATOM 404 N N . PHE A 1 53 ? -19.469 -1.884 11.833 1.00 98.16 53 A 1 ATOM 405 C CA . PHE A 1 53 ? -19.650 -1.676 10.394 1.00 97.93 53 A 1 ATOM 406 C C . PHE A 1 53 ? -20.505 -2.752 9.715 1.00 97.79 53 A 1 ATOM 407 O O . PHE A 1 53 ? -20.666 -2.714 8.499 1.00 96.81 53 A 1 ATOM 408 C CB . PHE A 1 53 ? -18.276 -1.488 9.740 1.00 97.82 53 A 1 ATOM 409 C CG . PHE A 1 53 ? -17.573 -0.221 10.192 1.00 97.97 53 A 1 ATOM 410 C CD1 . PHE A 1 53 ? -18.077 1.037 9.809 1.00 97.21 53 A 1 ATOM 411 C CD2 . PHE A 1 53 ? -16.440 -0.292 11.019 1.00 97.40 53 A 1 ATOM 412 C CE1 . PHE A 1 53 ? -17.453 2.216 10.250 1.00 97.01 53 A 1 ATOM 413 C CE2 . PHE A 1 53 ? -15.814 0.888 11.462 1.00 97.14 53 A 1 ATOM 414 C CZ . PHE A 1 53 ? -16.321 2.142 11.079 1.00 97.31 53 A 1 ATOM 415 N N . HIS A 1 54 ? -21.092 -3.665 10.498 1.00 97.95 54 A 1 ATOM 416 C CA . HIS A 1 54 ? -21.915 -4.781 10.011 1.00 97.86 54 A 1 ATOM 417 C C . HIS A 1 54 ? -21.172 -5.739 9.063 1.00 97.79 54 A 1 ATOM 418 O O . HIS A 1 54 ? -21.785 -6.325 8.172 1.00 96.40 54 A 1 ATOM 419 C CB . HIS A 1 54 ? -23.245 -4.263 9.440 1.00 97.39 54 A 1 ATOM 420 C CG . HIS A 1 54 ? -24.001 -3.370 10.390 1.00 95.83 54 A 1 ATOM 421 N ND1 . HIS A 1 54 ? -24.459 -3.733 11.634 1.00 84.62 54 A 1 ATOM 422 C CD2 . HIS A 1 54 ? -24.360 -2.061 10.197 1.00 85.37 54 A 1 ATOM 423 C CE1 . HIS A 1 54 ? -25.077 -2.672 12.174 1.00 87.66 54 A 1 ATOM 424 N NE2 . HIS A 1 54 ? -25.054 -1.629 11.329 1.00 89.32 54 A 1 ATOM 425 N N . PHE A 1 55 ? -19.875 -5.926 9.296 1.00 97.71 55 A 1 ATOM 426 C CA . PHE A 1 55 ? -19.027 -6.906 8.622 1.00 97.66 55 A 1 ATOM 427 C C . PHE A 1 55 ? -18.803 -8.148 9.488 1.00 98.03 55 A 1 ATOM 428 O O . PHE A 1 55 ? -18.953 -8.128 10.715 1.00 97.19 55 A 1 ATOM 429 C CB . PHE A 1 55 ? -17.694 -6.253 8.244 1.00 96.85 55 A 1 ATOM 430 C CG . PHE A 1 55 ? -17.787 -5.312 7.061 1.00 95.89 55 A 1 ATOM 431 C CD1 . PHE A 1 55 ? -17.930 -5.836 5.768 1.00 92.06 55 A 1 ATOM 432 C CD2 . PHE A 1 55 ? -17.728 -3.923 7.245 1.00 91.78 55 A 1 ATOM 433 C CE1 . PHE A 1 55 ? -18.021 -4.974 4.660 1.00 90.21 55 A 1 ATOM 434 C CE2 . PHE A 1 55 ? -17.822 -3.062 6.134 1.00 90.85 55 A 1 ATOM 435 C CZ . PHE A 1 55 ? -17.969 -3.590 4.841 1.00 91.08 55 A 1 ATOM 436 N N . THR A 1 56 ? -18.394 -9.238 8.860 1.00 98.15 56 A 1 ATOM 437 C CA . THR A 1 56 ? -17.738 -10.345 9.555 1.00 98.20 56 A 1 ATOM 438 C C . THR A 1 56 ? -16.304 -9.961 9.935 1.00 98.28 56 A 1 ATOM 439 O O . THR A 1 56 ? -15.731 -8.998 9.433 1.00 98.04 56 A 1 ATOM 440 C CB . THR A 1 56 ? -17.749 -11.634 8.722 1.00 98.04 56 A 1 ATOM 441 O OG1 . THR A 1 56 ? -16.965 -11.478 7.576 1.00 96.83 56 A 1 ATOM 442 C CG2 . THR A 1 56 ? -19.156 -12.072 8.311 1.00 95.82 56 A 1 ATOM 443 N N . ALA A 1 57 ? -15.701 -10.734 10.848 1.00 97.97 57 A 1 ATOM 444 C CA . ALA A 1 57 ? -14.301 -10.515 11.214 1.00 98.05 57 A 1 ATOM 445 C C . ALA A 1 57 ? -13.330 -10.763 10.042 1.00 98.20 57 A 1 ATOM 446 O O . ALA A 1 57 ? -12.269 -10.156 10.030 1.00 97.87 57 A 1 ATOM 447 C CB . ALA A 1 57 ? -13.962 -11.407 12.414 1.00 97.59 57 A 1 ATOM 448 N N . GLY A 1 58 ? -13.686 -11.644 9.104 1.00 98.17 58 A 1 ATOM 449 C CA . GLY A 1 58 ? -12.899 -11.876 7.886 1.00 98.09 58 A 1 ATOM 450 C C . GLY A 1 58 ? -12.943 -10.665 6.961 1.00 98.25 58 A 1 ATOM 451 O O . GLY A 1 58 ? -11.904 -10.076 6.711 1.00 97.97 58 A 1 ATOM 452 N N . GLU A 1 59 ? -14.139 -10.215 6.592 1.00 98.29 59 A 1 ATOM 453 C CA . GLU A 1 59 ? -14.322 -9.066 5.689 1.00 98.23 59 A 1 ATOM 454 C C . GLU A 1 59 ? -13.613 -7.795 6.193 1.00 98.24 59 A 1 ATOM 455 O O . GLU A 1 59 ? -12.987 -7.090 5.411 1.00 97.81 59 A 1 ATOM 456 C CB . GLU A 1 59 ? -15.827 -8.778 5.540 1.00 98.09 59 A 1 ATOM 457 C CG . GLU A 1 59 ? -16.598 -9.848 4.737 1.00 96.19 59 A 1 ATOM 458 C CD . GLU A 1 59 ? -18.119 -9.793 4.994 1.00 95.85 59 A 1 ATOM 459 O OE1 . GLU A 1 59 ? -18.912 -10.038 4.066 1.00 90.21 59 A 1 ATOM 460 O OE2 . GLU A 1 59 ? -18.501 -9.611 6.183 1.00 91.77 59 A 1 ATOM 461 N N . ILE A 1 60 ? -13.667 -7.497 7.507 1.00 98.26 60 A 1 ATOM 462 C CA . ILE A 1 60 ? -12.958 -6.309 8.025 1.00 98.19 60 A 1 ATOM 463 C C . ILE A 1 60 ? -11.432 -6.484 8.012 1.00 98.25 60 A 1 ATOM 464 O O . ILE A 1 60 ? -10.716 -5.490 7.928 1.00 98.06 60 A 1 ATOM 465 C CB . ILE A 1 60 ? -13.471 -5.911 9.427 1.00 97.68 60 A 1 ATOM 466 C CG1 . ILE A 1 60 ? -13.077 -4.471 9.836 1.00 93.63 60 A 1 ATOM 467 C CG2 . ILE A 1 60 ? -12.970 -6.861 10.525 1.00 95.08 60 A 1 ATOM 468 C CD1 . ILE A 1 60 ? -13.660 -3.391 8.928 1.00 90.67 60 A 1 ATOM 469 N N . LEU A 1 61 ? -10.922 -7.711 8.143 1.00 98.17 61 A 1 ATOM 470 C CA . LEU A 1 61 ? -9.492 -7.984 8.015 1.00 98.11 61 A 1 ATOM 471 C C . LEU A 1 61 ? -9.042 -7.828 6.565 1.00 98.10 61 A 1 ATOM 472 O O . LEU A 1 61 ? -8.017 -7.196 6.352 1.00 97.95 61 A 1 ATOM 473 C CB . LEU A 1 61 ? -9.148 -9.385 8.543 1.00 97.87 61 A 1 ATOM 474 C CG . LEU A 1 61 ? -9.100 -9.484 10.078 1.00 96.77 61 A 1 ATOM 475 C CD1 . LEU A 1 61 ? -8.999 -10.957 10.492 1.00 96.18 61 A 1 ATOM 476 C CD2 . LEU A 1 61 ? -7.899 -8.748 10.671 1.00 96.04 61 A 1 ATOM 477 N N . ASP A 1 62 ? -9.818 -8.331 5.608 1.00 98.36 62 A 1 ATOM 478 C CA . ASP A 1 62 ? -9.524 -8.189 4.179 1.00 98.27 62 A 1 ATOM 479 C C . ASP A 1 62 ? -9.425 -6.700 3.796 1.00 98.13 62 A 1 ATOM 480 O O . ASP A 1 62 ? -8.393 -6.266 3.289 1.00 97.81 62 A 1 ATOM 481 C CB . ASP A 1 62 ? -10.583 -8.936 3.347 1.00 98.13 62 A 1 ATOM 482 C CG . ASP A 1 62 ? -10.641 -10.457 3.607 1.00 96.04 62 A 1 ATOM 483 O OD1 . ASP A 1 62 ? -9.627 -11.040 4.056 1.00 93.71 62 A 1 ATOM 484 O OD2 . ASP A 1 62 ? -11.734 -11.041 3.411 1.00 93.78 62 A 1 ATOM 485 N N . GLU A 1 63 ? -10.395 -5.876 4.211 1.00 98.04 63 A 1 ATOM 486 C CA . GLU A 1 63 ? -10.371 -4.408 4.021 1.00 97.70 63 A 1 ATOM 487 C C . GLU A 1 63 ? -9.120 -3.758 4.655 1.00 97.77 63 A 1 ATOM 488 O O . GLU A 1 63 ? -8.537 -2.821 4.115 1.00 97.10 63 A 1 ATOM 489 C CB . GLU A 1 63 ? -11.613 -3.790 4.693 1.00 97.20 63 A 1 ATOM 490 C CG . GLU A 1 63 ? -12.955 -4.109 3.994 1.00 93.24 63 A 1 ATOM 491 C CD . GLU A 1 63 ? -13.498 -3.014 3.066 1.00 91.38 63 A 1 ATOM 492 O OE1 . GLU A 1 63 ? -14.574 -3.255 2.460 1.00 81.72 63 A 1 ATOM 493 O OE2 . GLU A 1 63 ? -13.046 -1.842 3.138 1.00 83.79 63 A 1 ATOM 494 N N . PHE A 1 64 ? -8.703 -4.219 5.836 1.00 97.96 64 A 1 ATOM 495 C CA . PHE A 1 64 ? -7.520 -3.679 6.502 1.00 97.90 64 A 1 ATOM 496 C C . PHE A 1 64 ? -6.216 -4.104 5.828 1.00 97.70 64 A 1 ATOM 497 O O . PHE A 1 64 ? -5.299 -3.287 5.792 1.00 97.40 64 A 1 ATOM 498 C CB . PHE A 1 64 ? -7.508 -4.061 7.988 1.00 97.88 64 A 1 ATOM 499 C CG . PHE A 1 64 ? -8.505 -3.358 8.896 1.00 98.02 64 A 1 ATOM 500 C CD1 . PHE A 1 64 ? -9.224 -2.217 8.491 1.00 97.43 64 A 1 ATOM 501 C CD2 . PHE A 1 64 ? -8.675 -3.848 10.209 1.00 97.43 64 A 1 ATOM 502 C CE1 . PHE A 1 64 ? -10.110 -1.580 9.379 1.00 97.18 64 A 1 ATOM 503 C CE2 . PHE A 1 64 ? -9.555 -3.213 11.099 1.00 97.13 64 A 1 ATOM 504 C CZ . PHE A 1 64 ? -10.277 -2.081 10.685 1.00 97.43 64 A 1 ATOM 505 N N . TYR A 1 65 ? -6.129 -5.337 5.318 1.00 97.70 65 A 1 ATOM 506 C CA . TYR A 1 65 ? -4.968 -5.792 4.552 1.00 97.41 65 A 1 ATOM 507 C C . TYR A 1 65 ? -4.820 -5.016 3.243 1.00 97.08 65 A 1 ATOM 508 O O . TYR A 1 65 ? -3.726 -4.530 2.973 1.00 96.70 65 A 1 ATOM 509 C CB . TYR A 1 65 ? -5.048 -7.297 4.284 1.00 97.28 65 A 1 ATOM 510 C CG . TYR A 1 65 ? -4.654 -8.172 5.464 1.00 96.88 65 A 1 ATOM 511 C CD1 . TYR A 1 65 ? -3.347 -8.103 5.986 1.00 95.47 65 A 1 ATOM 512 C CD2 . TYR A 1 65 ? -5.581 -9.075 6.018 1.00 95.65 65 A 1 ATOM 513 C CE1 . TYR A 1 65 ? -2.974 -8.923 7.069 1.00 95.04 65 A 1 ATOM 514 C CE2 . TYR A 1 65 ? -5.214 -9.900 7.102 1.00 95.05 65 A 1 ATOM 515 C CZ . TYR A 1 65 ? -3.910 -9.826 7.628 1.00 95.39 65 A 1 ATOM 516 O OH . TYR A 1 65 ? -3.564 -10.621 8.674 1.00 93.72 65 A 1 ATOM 517 N N . GLU A 1 66 ? -5.906 -4.806 2.505 1.00 97.25 66 A 1 ATOM 518 C CA . GLU A 1 66 ? -5.892 -3.995 1.280 1.00 96.96 66 A 1 ATOM 519 C C . GLU A 1 66 ? -5.385 -2.567 1.551 1.00 96.68 66 A 1 ATOM 520 O O . GLU A 1 66 ? -4.516 -2.054 0.848 1.00 95.94 66 A 1 ATOM 521 C CB . GLU A 1 66 ? -7.312 -3.935 0.685 1.00 96.87 66 A 1 ATOM 522 C CG . GLU A 1 66 ? -7.769 -5.270 0.056 1.00 89.28 66 A 1 ATOM 523 C CD . GLU A 1 66 ? -9.218 -5.236 -0.480 1.00 87.19 66 A 1 ATOM 524 O OE1 . GLU A 1 66 ? -9.710 -6.308 -0.897 1.00 77.49 66 A 1 ATOM 525 O OE2 . GLU A 1 66 ? -9.839 -4.146 -0.486 1.00 81.16 66 A 1 ATOM 526 N N . ILE A 1 67 ? -5.867 -1.935 2.626 1.00 97.49 67 A 1 ATOM 527 C CA . ILE A 1 67 ? -5.422 -0.582 2.996 1.00 97.41 67 A 1 ATOM 528 C C . ILE A 1 67 ? -3.964 -0.573 3.475 1.00 97.11 67 A 1 ATOM 529 O O . ILE A 1 67 ? -3.237 0.383 3.199 1.00 96.78 67 A 1 ATOM 530 C CB . ILE A 1 67 ? -6.363 0.019 4.059 1.00 97.59 67 A 1 ATOM 531 C CG1 . ILE A 1 67 ? -7.776 0.243 3.468 1.00 97.16 67 A 1 ATOM 532 C CG2 . ILE A 1 67 ? -5.820 1.359 4.592 1.00 97.04 67 A 1 ATOM 533 C CD1 . ILE A 1 67 ? -8.836 0.547 4.530 1.00 95.93 67 A 1 ATOM 534 N N . GLU A 1 68 ? -3.529 -1.581 4.227 1.00 97.10 68 A 1 ATOM 535 C CA . GLU A 1 68 ? -2.136 -1.684 4.682 1.00 96.62 68 A 1 ATOM 536 C C . GLU A 1 68 ? -1.179 -1.886 3.497 1.00 95.97 68 A 1 ATOM 537 O O . GLU A 1 68 ? -0.122 -1.247 3.457 1.00 95.41 68 A 1 ATOM 538 C CB . GLU A 1 68 ? -1.997 -2.800 5.739 1.00 96.42 68 A 1 ATOM 539 C CG . GLU A 1 68 ? -0.565 -2.917 6.295 1.00 95.19 68 A 1 ATOM 540 C CD . GLU A 1 68 ? -0.480 -3.826 7.536 1.00 95.36 68 A 1 ATOM 541 O OE1 . GLU A 1 68 ? -0.258 -3.293 8.650 1.00 90.74 68 A 1 ATOM 542 O OE2 . GLU A 1 68 ? -0.626 -5.060 7.428 1.00 92.05 68 A 1 ATOM 543 N N . GLU A 1 69 ? -1.568 -2.710 2.526 1.00 95.88 69 A 1 ATOM 544 C CA . GLU A 1 69 ? -0.838 -2.904 1.272 1.00 95.32 69 A 1 ATOM 545 C C . GLU A 1 69 ? -0.760 -1.599 0.473 1.00 95.21 69 A 1 ATOM 546 O O . GLU A 1 69 ? 0.333 -1.171 0.109 1.00 94.40 69 A 1 ATOM 547 C CB . GLU A 1 69 ? -1.508 -4.030 0.478 1.00 94.76 69 A 1 ATOM 548 C CG . GLU A 1 69 ? -0.758 -4.354 -0.823 1.00 88.88 69 A 1 ATOM 549 C CD . GLU A 1 69 ? -1.334 -5.575 -1.568 1.00 86.79 69 A 1 ATOM 550 O OE1 . GLU A 1 69 ? -0.657 -6.035 -2.516 1.00 77.99 69 A 1 ATOM 551 O OE2 . GLU A 1 69 ? -2.418 -6.068 -1.170 1.00 80.42 69 A 1 ATOM 552 N N . GLU A 1 70 ? -1.877 -0.890 0.301 1.00 95.18 70 A 1 ATOM 553 C CA . GLU A 1 70 ? -1.911 0.410 -0.383 1.00 94.89 70 A 1 ATOM 554 C C . GLU A 1 70 ? -0.973 1.434 0.279 1.00 95.16 70 A 1 ATOM 555 O O . GLU A 1 70 ? -0.187 2.083 -0.401 1.00 94.33 70 A 1 ATOM 556 C CB . GLU A 1 70 ? -3.358 0.934 -0.401 1.00 94.56 70 A 1 ATOM 557 C CG . GLU A 1 70 ? -3.566 2.125 -1.358 1.00 86.89 70 A 1 ATOM 558 C CD . GLU A 1 70 ? -4.869 2.899 -1.097 1.00 85.54 70 A 1 ATOM 559 O OE1 . GLU A 1 70 ? -4.956 4.073 -1.530 1.00 77.44 70 A 1 ATOM 560 O OE2 . GLU A 1 70 ? -5.681 2.507 -0.228 1.00 79.77 70 A 1 ATOM 561 N N . ILE A 1 71 ? -0.993 1.542 1.618 1.00 95.67 71 A 1 ATOM 562 C CA . ILE A 1 71 ? -0.085 2.435 2.362 1.00 95.51 71 A 1 ATOM 563 C C . ILE A 1 71 ? 1.377 2.050 2.117 1.00 95.37 71 A 1 ATOM 564 O O . ILE A 1 71 ? 2.230 2.919 1.958 1.00 94.65 71 A 1 ATOM 565 C CB . ILE A 1 71 ? -0.419 2.415 3.874 1.00 95.69 71 A 1 ATOM 566 C CG1 . ILE A 1 71 ? -1.772 3.116 4.139 1.00 94.97 71 A 1 ATOM 567 C CG2 . ILE A 1 71 ? 0.677 3.095 4.722 1.00 94.29 71 A 1 ATOM 568 C CD1 . ILE A 1 71 ? -2.342 2.850 5.541 1.00 93.89 71 A 1 ATOM 569 N N . THR A 1 72 ? 1.671 0.752 2.102 1.00 94.83 72 A 1 ATOM 570 C CA . THR A 1 72 ? 3.025 0.237 1.874 1.00 94.51 72 A 1 ATOM 571 C C . THR A 1 72 ? 3.505 0.569 0.466 1.00 94.71 72 A 1 ATOM 572 O O . THR A 1 72 ? 4.607 1.097 0.294 1.00 94.33 72 A 1 ATOM 573 C CB . THR A 1 72 ? 3.072 -1.284 2.069 1.00 93.71 72 A 1 ATOM 574 O OG1 . THR A 1 72 ? 2.549 -1.609 3.337 1.00 89.32 72 A 1 ATOM 575 C CG2 . THR A 1 72 ? 4.498 -1.838 1.983 1.00 89.32 72 A 1 ATOM 576 N N . ASN A 1 73 ? 2.667 0.316 -0.530 1.00 95.06 73 A 1 ATOM 577 C CA . ASN A 1 73 ? 2.956 0.594 -1.930 1.00 95.28 73 A 1 ATOM 578 C C . ASN A 1 73 ? 3.177 2.093 -2.163 1.00 95.77 73 A 1 ATOM 579 O O . ASN A 1 73 ? 4.158 2.476 -2.799 1.00 95.72 73 A 1 ATOM 580 C CB . ASN A 1 73 ? 1.819 0.011 -2.786 1.00 94.92 73 A 1 ATOM 581 C CG . ASN A 1 73 ? 1.805 -1.514 -2.792 1.00 93.86 73 A 1 ATOM 582 O OD1 . ASN A 1 73 ? 2.717 -2.168 -2.306 1.00 90.68 73 A 1 ATOM 583 N ND2 . ASN A 1 73 ? 0.791 -2.123 -3.359 1.00 90.57 73 A 1 ATOM 584 N N . ASP A 1 74 ? 2.347 2.955 -1.553 1.00 93.51 74 A 1 ATOM 585 C CA . ASP A 1 74 ? 2.518 4.411 -1.592 1.00 94.32 74 A 1 ATOM 586 C C . ASP A 1 74 ? 3.881 4.844 -1.012 1.00 95.43 74 A 1 ATOM 587 O O . ASP A 1 74 ? 4.542 5.729 -1.559 1.00 95.35 74 A 1 ATOM 588 C CB . ASP A 1 74 ? 1.398 5.101 -0.789 1.00 93.58 74 A 1 ATOM 589 C CG . ASP A 1 74 ? 0.026 5.198 -1.473 1.00 88.52 74 A 1 ATOM 590 O OD1 . ASP A 1 74 ? -0.039 5.044 -2.705 1.00 85.94 74 A 1 ATOM 591 O OD2 . ASP A 1 74 ? -0.936 5.570 -0.740 1.00 85.86 74 A 1 ATOM 592 N N . GLU A 1 75 ? 4.322 4.239 0.101 1.00 94.46 75 A 1 ATOM 593 C CA . GLU A 1 75 ? 5.627 4.527 0.712 1.00 94.41 75 A 1 ATOM 594 C C . GLU A 1 75 ? 6.790 4.095 -0.193 1.00 95.44 75 A 1 ATOM 595 O O . GLU A 1 75 ? 7.732 4.875 -0.387 1.00 94.58 75 A 1 ATOM 596 C CB . GLU A 1 75 ? 5.740 3.890 2.116 1.00 93.40 75 A 1 ATOM 597 C CG . GLU A 1 75 ? 4.927 4.660 3.178 1.00 82.19 75 A 1 ATOM 598 C CD . GLU A 1 75 ? 5.047 4.116 4.622 1.00 76.06 75 A 1 ATOM 599 O OE1 . GLU A 1 75 ? 4.552 4.822 5.543 1.00 68.02 75 A 1 ATOM 600 O OE2 . GLU A 1 75 ? 5.651 3.045 4.859 1.00 68.23 75 A 1 ATOM 601 N N . ILE A 1 76 ? 6.696 2.908 -0.794 1.00 95.26 76 A 1 ATOM 602 C CA . ILE A 1 76 ? 7.693 2.370 -1.729 1.00 95.30 76 A 1 ATOM 603 C C . ILE A 1 76 ? 7.801 3.261 -2.977 1.00 96.04 76 A 1 ATOM 604 O O . ILE A 1 76 ? 8.892 3.700 -3.347 1.00 95.98 76 A 1 ATOM 605 C CB . ILE A 1 76 ? 7.336 0.905 -2.087 1.00 94.97 76 A 1 ATOM 606 C CG1 . ILE A 1 76 ? 7.538 -0.021 -0.861 1.00 93.64 76 A 1 ATOM 607 C CG2 . ILE A 1 76 ? 8.182 0.398 -3.269 1.00 93.80 76 A 1 ATOM 608 C CD1 . ILE A 1 76 ? 6.967 -1.437 -1.047 1.00 91.48 76 A 1 ATOM 609 N N . LEU A 1 77 ? 6.675 3.600 -3.607 1.00 95.99 77 A 1 ATOM 610 C CA . LEU A 1 77 ? 6.661 4.454 -4.802 1.00 97.17 77 A 1 ATOM 611 C C . LEU A 1 77 ? 7.174 5.865 -4.503 1.00 97.66 77 A 1 ATOM 612 O O . LEU A 1 77 ? 7.865 6.472 -5.322 1.00 97.74 77 A 1 ATOM 613 C CB . LEU A 1 77 ? 5.233 4.505 -5.371 1.00 96.79 77 A 1 ATOM 614 C CG . LEU A 1 77 ? 4.739 3.164 -5.948 1.00 95.53 77 A 1 ATOM 615 C CD1 . LEU A 1 77 ? 3.248 3.282 -6.265 1.00 94.27 77 A 1 ATOM 616 C CD2 . LEU A 1 77 ? 5.489 2.765 -7.220 1.00 94.48 77 A 1 ATOM 617 N N . LYS A 1 78 ? 6.906 6.387 -3.304 1.00 97.17 78 A 1 ATOM 618 C CA . LYS A 1 78 ? 7.412 7.691 -2.868 1.00 97.04 78 A 1 ATOM 619 C C . LYS A 1 78 ? 8.937 7.734 -2.774 1.00 97.44 78 A 1 ATOM 620 O O . LYS A 1 78 ? 9.525 8.795 -3.002 1.00 97.29 78 A 1 ATOM 621 C CB . LYS A 1 78 ? 6.754 8.028 -1.531 1.00 95.96 78 A 1 ATOM 622 C CG . LYS A 1 78 ? 7.113 9.437 -1.060 1.00 86.17 78 A 1 ATOM 623 C CD . LYS A 1 78 ? 6.376 9.701 0.247 1.00 84.48 78 A 1 ATOM 624 C CE . LYS A 1 78 ? 6.726 11.097 0.739 1.00 73.93 78 A 1 ATOM 625 N NZ . LYS A 1 78 ? 6.029 11.344 2.015 1.00 66.49 78 A 1 ATOM 626 N N . GLU A 1 79 ? 9.589 6.620 -2.446 1.00 96.79 79 A 1 ATOM 627 C CA . GLU A 1 79 ? 11.052 6.520 -2.469 1.00 96.30 79 A 1 ATOM 628 C C . GLU A 1 79 ? 11.581 6.814 -3.880 1.00 97.26 79 A 1 ATOM 629 O O . GLU A 1 79 ? 12.394 7.732 -4.060 1.00 96.80 79 A 1 ATOM 630 C CB . GLU A 1 79 ? 11.494 5.128 -1.971 1.00 94.12 79 A 1 ATOM 631 C CG . GLU A 1 79 ? 13.019 5.062 -1.800 1.00 85.25 79 A 1 ATOM 632 C CD . GLU A 1 79 ? 13.555 3.667 -1.438 1.00 86.50 79 A 1 ATOM 633 O OE1 . GLU A 1 79 ? 14.620 3.633 -0.775 1.00 78.04 79 A 1 ATOM 634 O OE2 . GLU A 1 79 ? 12.982 2.661 -1.893 1.00 82.06 79 A 1 ATOM 635 N N . LEU A 1 80 ? 11.041 6.128 -4.890 1.00 96.84 80 A 1 ATOM 636 C CA . LEU A 1 80 ? 11.422 6.319 -6.289 1.00 97.48 80 A 1 ATOM 637 C C . LEU A 1 80 ? 11.082 7.728 -6.791 1.00 97.89 80 A 1 ATOM 638 O O . LEU A 1 80 ? 11.933 8.391 -7.387 1.00 97.94 80 A 1 ATOM 639 C CB . LEU A 1 80 ? 10.744 5.237 -7.148 1.00 97.44 80 A 1 ATOM 640 C CG . LEU A 1 80 ? 11.226 5.226 -8.611 1.00 96.84 80 A 1 ATOM 641 C CD1 . LEU A 1 80 ? 12.714 4.875 -8.723 1.00 95.93 80 A 1 ATOM 642 C CD2 . LEU A 1 80 ? 10.431 4.193 -9.408 1.00 95.96 80 A 1 ATOM 643 N N . THR A 1 81 ? 9.889 8.226 -6.475 1.00 97.94 81 A 1 ATOM 644 C CA . THR A 1 81 ? 9.456 9.594 -6.813 1.00 98.02 81 A 1 ATOM 645 C C . THR A 1 81 ? 10.447 10.633 -6.289 1.00 98.09 81 A 1 ATOM 646 O O . THR A 1 81 ? 10.878 11.517 -7.023 1.00 97.84 81 A 1 ATOM 647 C CB . THR A 1 81 ? 8.059 9.883 -6.233 1.00 97.70 81 A 1 ATOM 648 O OG1 . THR A 1 81 ? 7.118 8.972 -6.727 1.00 94.97 81 A 1 ATOM 649 C CG2 . THR A 1 81 ? 7.534 11.277 -6.586 1.00 94.85 81 A 1 ATOM 650 N N . THR A 1 82 ? 10.886 10.494 -5.039 1.00 97.95 82 A 1 ATOM 651 C CA . THR A 1 82 ? 11.857 11.413 -4.426 1.00 97.76 82 A 1 ATOM 652 C C . THR A 1 82 ? 13.202 11.397 -5.160 1.00 97.82 82 A 1 ATOM 653 O O . THR A 1 82 ? 13.836 12.443 -5.325 1.00 97.36 82 A 1 ATOM 654 C CB . THR A 1 82 ? 12.080 11.057 -2.946 1.00 97.43 82 A 1 ATOM 655 O OG1 . THR A 1 82 ? 10.867 11.120 -2.225 1.00 94.94 82 A 1 ATOM 656 C CG2 . THR A 1 82 ? 13.048 12.015 -2.245 1.00 94.18 82 A 1 ATOM 657 N N . VAL A 1 83 ? 13.654 10.228 -5.614 1.00 97.78 83 A 1 ATOM 658 C CA . VAL A 1 83 ? 14.884 10.091 -6.409 1.00 97.75 83 A 1 ATOM 659 C C . VAL A 1 83 ? 14.721 10.775 -7.766 1.00 97.68 83 A 1 ATOM 660 O O . VAL A 1 83 ? 15.568 11.588 -8.129 1.00 97.38 83 A 1 ATOM 661 C CB . VAL A 1 83 ? 15.292 8.612 -6.551 1.00 97.60 83 A 1 ATOM 662 C CG1 . VAL A 1 83 ? 16.456 8.428 -7.533 1.00 96.32 83 A 1 ATOM 663 C CG2 . VAL A 1 83 ? 15.752 8.051 -5.197 1.00 96.48 83 A 1 ATOM 664 N N . PHE A 1 84 ? 13.628 10.522 -8.475 1.00 97.60 84 A 1 ATOM 665 C CA . PHE A 1 84 ? 13.354 11.113 -9.788 1.00 97.35 84 A 1 ATOM 666 C C . PHE A 1 84 ? 13.269 12.641 -9.717 1.00 97.17 84 A 1 ATOM 667 O O . PHE A 1 84 ? 13.985 13.326 -10.448 1.00 96.85 84 A 1 ATOM 668 C CB . PHE A 1 84 ? 12.070 10.505 -10.377 1.00 97.22 84 A 1 ATOM 669 C CG . PHE A 1 84 ? 12.282 9.239 -11.190 1.00 97.25 84 A 1 ATOM 670 C CD1 . PHE A 1 84 ? 11.785 9.173 -12.510 1.00 96.16 84 A 1 ATOM 671 C CD2 . PHE A 1 84 ? 12.976 8.136 -10.661 1.00 96.27 84 A 1 ATOM 672 C CE1 . PHE A 1 84 ? 11.970 8.015 -13.281 1.00 95.64 84 A 1 ATOM 673 C CE2 . PHE A 1 84 ? 13.170 6.980 -11.434 1.00 95.76 84 A 1 ATOM 674 C CZ . PHE A 1 84 ? 12.660 6.917 -12.744 1.00 96.44 84 A 1 ATOM 675 N N . GLU A 1 85 ? 12.503 13.190 -8.775 1.00 96.96 85 A 1 ATOM 676 C CA . GLU A 1 85 ? 12.375 14.638 -8.569 1.00 96.85 85 A 1 ATOM 677 C C . GLU A 1 85 ? 13.731 15.300 -8.276 1.00 96.34 85 A 1 ATOM 678 O O . GLU A 1 85 ? 14.066 16.340 -8.845 1.00 95.55 85 A 1 ATOM 679 C CB . GLU A 1 85 ? 11.432 14.918 -7.390 1.00 97.13 85 A 1 ATOM 680 C CG . GLU A 1 85 ? 9.948 14.672 -7.705 1.00 95.74 85 A 1 ATOM 681 C CD . GLU A 1 85 ? 9.034 14.995 -6.506 1.00 95.11 85 A 1 ATOM 682 O OE1 . GLU A 1 85 ? 7.814 15.155 -6.731 1.00 90.25 85 A 1 ATOM 683 O OE2 . GLU A 1 85 ? 9.546 15.136 -5.365 1.00 91.72 85 A 1 ATOM 684 N N . LYS A 1 86 ? 14.545 14.688 -7.412 1.00 96.96 86 A 1 ATOM 685 C CA . LYS A 1 86 ? 15.873 15.205 -7.049 1.00 96.32 86 A 1 ATOM 686 C C . LYS A 1 86 ? 16.821 15.282 -8.246 1.00 95.71 86 A 1 ATOM 687 O O . LYS A 1 86 ? 17.704 16.147 -8.270 1.00 94.74 86 A 1 ATOM 688 C CB . LYS A 1 86 ? 16.441 14.312 -5.942 1.00 96.14 86 A 1 ATOM 689 C CG . LYS A 1 86 ? 17.816 14.780 -5.446 1.00 83.59 86 A 1 ATOM 690 C CD . LYS A 1 86 ? 18.304 13.818 -4.367 1.00 82.54 86 A 1 ATOM 691 C CE . LYS A 1 86 ? 19.720 14.183 -3.929 1.00 73.13 86 A 1 ATOM 692 N NZ . LYS A 1 86 ? 20.250 13.137 -3.029 1.00 66.70 86 A 1 ATOM 693 N N . HIS A 1 87 ? 16.663 14.383 -9.205 1.00 95.53 87 A 1 ATOM 694 C CA . HIS A 1 87 ? 17.468 14.324 -10.425 1.00 94.48 87 A 1 ATOM 695 C C . HIS A 1 87 ? 16.820 15.045 -11.620 1.00 93.63 87 A 1 ATOM 696 O O . HIS A 1 87 ? 17.433 15.116 -12.679 1.00 92.19 87 A 1 ATOM 697 C CB . HIS A 1 87 ? 17.870 12.866 -10.683 1.00 94.91 87 A 1 ATOM 698 C CG . HIS A 1 87 ? 18.962 12.413 -9.737 1.00 94.91 87 A 1 ATOM 699 N ND1 . HIS A 1 87 ? 20.313 12.541 -9.977 1.00 87.35 87 A 1 ATOM 700 C CD2 . HIS A 1 87 ? 18.835 11.882 -8.479 1.00 88.92 87 A 1 ATOM 701 C CE1 . HIS A 1 87 ? 20.975 12.090 -8.900 1.00 90.23 87 A 1 ATOM 702 N NE2 . HIS A 1 87 ? 20.118 11.689 -7.946 1.00 91.51 87 A 1 ATOM 703 N N . GLY A 1 88 ? 15.640 15.654 -11.436 1.00 94.81 88 A 1 ATOM 704 C CA . GLY A 1 88 ? 14.949 16.445 -12.459 1.00 93.87 88 A 1 ATOM 705 C C . GLY A 1 88 ? 14.231 15.612 -13.519 1.00 93.54 88 A 1 ATOM 706 O O . GLY A 1 88 ? 13.952 16.137 -14.596 1.00 91.61 88 A 1 ATOM 707 N N . HIS A 1 89 ? 13.938 14.351 -13.231 1.00 94.57 89 A 1 ATOM 708 C CA . HIS A 1 89 ? 13.195 13.462 -14.125 1.00 94.33 89 A 1 ATOM 709 C C . HIS A 1 89 ? 11.689 13.529 -13.869 1.00 94.59 89 A 1 ATOM 710 O O . HIS A 1 89 ? 11.239 13.834 -12.764 1.00 93.48 89 A 1 ATOM 711 C CB . HIS A 1 89 ? 13.726 12.031 -14.019 1.00 93.55 89 A 1 ATOM 712 C CG . HIS A 1 89 ? 15.102 11.891 -14.616 1.00 90.26 89 A 1 ATOM 713 N ND1 . HIS A 1 89 ? 15.403 11.705 -15.953 1.00 78.42 89 A 1 ATOM 714 C CD2 . HIS A 1 89 ? 16.289 11.975 -13.938 1.00 79.59 89 A 1 ATOM 715 C CE1 . HIS A 1 89 ? 16.741 11.681 -16.070 1.00 80.95 89 A 1 ATOM 716 N NE2 . HIS A 1 89 ? 17.322 11.834 -14.873 1.00 83.22 89 A 1 ATOM 717 N N . ASN A 1 90 ? 10.911 13.225 -14.910 1.00 94.05 90 A 1 ATOM 718 C CA . ASN A 1 90 ? 9.458 13.148 -14.809 1.00 94.07 90 A 1 ATOM 719 C C . ASN A 1 90 ? 9.042 11.945 -13.942 1.00 95.26 90 A 1 ATOM 720 O O . ASN A 1 90 ? 9.662 10.888 -14.000 1.00 94.73 90 A 1 ATOM 721 C CB . ASN A 1 90 ? 8.849 13.105 -16.232 1.00 91.82 90 A 1 ATOM 722 C CG . ASN A 1 90 ? 7.333 13.250 -16.210 1.00 85.39 90 A 1 ATOM 723 O OD1 . ASN A 1 90 ? 6.728 13.399 -15.172 1.00 76.76 90 A 1 ATOM 724 N ND2 . ASN A 1 90 ? 6.666 13.224 -17.333 1.00 75.45 90 A 1 ATOM 725 N N . THR A 1 91 ? 7.985 12.124 -13.159 1.00 95.62 91 A 1 ATOM 726 C CA . THR A 1 91 ? 7.429 11.100 -12.266 1.00 96.31 91 A 1 ATOM 727 C C . THR A 1 91 ? 6.108 10.512 -12.768 1.00 96.42 91 A 1 ATOM 728 O O . THR A 1 91 ? 5.538 9.672 -12.084 1.00 95.56 91 A 1 ATOM 729 C CB . THR A 1 91 ? 7.248 11.662 -10.849 1.00 96.17 91 A 1 ATOM 730 O OG1 . THR A 1 91 ? 6.421 12.804 -10.869 1.00 94.93 91 A 1 ATOM 731 C CG2 . THR A 1 91 ? 8.583 12.089 -10.228 1.00 94.19 91 A 1 ATOM 732 N N . ASP A 1 92 ? 5.617 10.925 -13.940 1.00 96.79 92 A 1 ATOM 733 C CA . ASP A 1 92 ? 4.320 10.497 -14.490 1.00 96.31 92 A 1 ATOM 734 C C . ASP A 1 92 ? 4.238 8.975 -14.722 1.00 96.25 92 A 1 ATOM 735 O O . ASP A 1 92 ? 3.154 8.406 -14.674 1.00 94.73 92 A 1 ATOM 736 C CB . ASP A 1 92 ? 4.043 11.210 -15.831 1.00 95.43 92 A 1 ATOM 737 C CG . ASP A 1 92 ? 3.760 12.721 -15.742 1.00 92.34 92 A 1 ATOM 738 O OD1 . ASP A 1 92 ? 3.355 13.216 -14.668 1.00 89.60 92 A 1 ATOM 739 O OD2 . ASP A 1 92 ? 3.963 13.401 -16.782 1.00 89.23 92 A 1 ATOM 740 N N . GLU A 1 93 ? 5.376 8.324 -14.971 1.00 95.19 93 A 1 ATOM 741 C CA . GLU A 1 93 ? 5.467 6.868 -15.188 1.00 94.67 93 A 1 ATOM 742 C C . GLU A 1 93 ? 5.588 6.074 -13.873 1.00 95.82 93 A 1 ATOM 743 O O . GLU A 1 93 ? 5.577 4.844 -13.887 1.00 94.52 93 A 1 ATOM 744 C CB . GLU A 1 93 ? 6.639 6.548 -16.139 1.00 92.61 93 A 1 ATOM 745 C CG . GLU A 1 93 ? 6.457 7.157 -17.543 1.00 86.24 93 A 1 ATOM 746 C CD . GLU A 1 93 ? 7.577 6.785 -18.539 1.00 81.66 93 A 1 ATOM 747 O OE1 . GLU A 1 93 ? 7.339 6.927 -19.762 1.00 72.36 93 A 1 ATOM 748 O OE2 . GLU A 1 93 ? 8.687 6.404 -18.102 1.00 72.17 93 A 1 ATOM 749 N N . ILE A 1 94 ? 5.711 6.751 -12.722 1.00 96.22 94 A 1 ATOM 750 C CA . ILE A 1 94 ? 5.786 6.091 -11.415 1.00 97.09 94 A 1 ATOM 751 C C . ILE A 1 94 ? 4.364 5.780 -10.938 1.00 96.85 94 A 1 ATOM 752 O O . ILE A 1 94 ? 3.658 6.640 -10.414 1.00 96.02 94 A 1 ATOM 753 C CB . ILE A 1 94 ? 6.595 6.921 -10.394 1.00 97.38 94 A 1 ATOM 754 C CG1 . ILE A 1 94 ? 8.021 7.197 -10.927 1.00 96.74 94 A 1 ATOM 755 C CG2 . ILE A 1 94 ? 6.655 6.173 -9.044 1.00 96.84 94 A 1 ATOM 756 C CD1 . ILE A 1 94 ? 8.878 8.080 -10.012 1.00 95.77 94 A 1 ATOM 757 N N . SER A 1 95 ? 3.950 4.534 -11.092 1.00 97.10 95 A 1 ATOM 758 C CA . SER A 1 95 ? 2.625 4.021 -10.735 1.00 96.31 95 A 1 ATOM 759 C C . SER A 1 95 ? 2.732 2.704 -9.959 1.00 96.32 95 A 1 ATOM 760 O O . SER A 1 95 ? 3.799 2.099 -9.880 1.00 95.76 95 A 1 ATOM 761 C CB . SER A 1 95 ? 1.789 3.845 -12.012 1.00 95.29 95 A 1 ATOM 762 O OG . SER A 1 95 ? 2.247 2.708 -12.718 1.00 92.83 95 A 1 ATOM 763 N N . SER A 1 96 ? 1.620 2.241 -9.393 1.00 95.98 96 A 1 ATOM 764 C CA . SER A 1 96 ? 1.554 0.937 -8.719 1.00 95.21 96 A 1 ATOM 765 C C . SER A 1 96 ? 1.879 -0.235 -9.647 1.00 95.67 96 A 1 ATOM 766 O O . SER A 1 96 ? 2.325 -1.273 -9.166 1.00 94.65 96 A 1 ATOM 767 C CB . SER A 1 96 ? 0.170 0.725 -8.098 1.00 93.40 96 A 1 ATOM 768 O OG . SER A 1 96 ? -0.850 0.945 -9.048 1.00 86.37 96 A 1 ATOM 769 N N . GLU A 1 97 ? 1.721 -0.065 -10.966 1.00 94.71 97 A 1 ATOM 770 C CA . GLU A 1 97 ? 2.008 -1.097 -11.970 1.00 95.37 97 A 1 ATOM 771 C C . GLU A 1 97 ? 3.496 -1.499 -11.976 1.00 96.38 97 A 1 ATOM 772 O O . GLU A 1 97 ? 3.827 -2.644 -12.287 1.00 95.46 97 A 1 ATOM 773 C CB . GLU A 1 97 ? 1.543 -0.605 -13.358 1.00 95.13 97 A 1 ATOM 774 C CG . GLU A 1 97 ? 0.016 -0.348 -13.411 1.00 91.33 97 A 1 ATOM 775 C CD . GLU A 1 97 ? -0.520 0.211 -14.746 1.00 86.69 97 A 1 ATOM 776 O OE1 . GLU A 1 97 ? -1.770 0.227 -14.902 1.00 77.17 97 A 1 ATOM 777 O OE2 . GLU A 1 97 ? 0.265 0.686 -15.574 1.00 76.99 97 A 1 ATOM 778 N N . LEU A 1 98 ? 4.396 -0.602 -11.527 1.00 96.12 98 A 1 ATOM 779 C CA . LEU A 1 98 ? 5.811 -0.938 -11.321 1.00 96.43 98 A 1 ATOM 780 C C . LEU A 1 98 ? 5.998 -2.075 -10.313 1.00 96.46 98 A 1 ATOM 781 O O . LEU A 1 98 ? 6.894 -2.901 -10.469 1.00 95.60 98 A 1 ATOM 782 C CB . LEU A 1 98 ? 6.575 0.296 -10.804 1.00 96.30 98 A 1 ATOM 783 C CG . LEU A 1 98 ? 6.761 1.404 -11.845 1.00 94.28 98 A 1 ATOM 784 C CD1 . LEU A 1 98 ? 7.281 2.661 -11.148 1.00 92.23 98 A 1 ATOM 785 C CD2 . LEU A 1 98 ? 7.767 0.984 -12.917 1.00 92.07 98 A 1 ATOM 786 N N . LEU A 1 99 ? 5.163 -2.131 -9.280 1.00 96.82 99 A 1 ATOM 787 C CA . LEU A 1 99 ? 5.223 -3.173 -8.254 1.00 96.16 99 A 1 ATOM 788 C C . LEU A 1 99 ? 4.676 -4.512 -8.770 1.00 95.83 99 A 1 ATOM 789 O O . LEU A 1 99 ? 5.039 -5.565 -8.249 1.00 93.75 99 A 1 ATOM 790 C CB . LEU A 1 99 ? 4.488 -2.698 -6.986 1.00 95.79 99 A 1 ATOM 791 C CG . LEU A 1 99 ? 4.968 -1.339 -6.437 1.00 95.33 99 A 1 ATOM 792 C CD1 . LEU A 1 99 ? 4.176 -0.984 -5.182 1.00 93.94 99 A 1 ATOM 793 C CD2 . LEU A 1 99 ? 6.455 -1.332 -6.077 1.00 93.75 99 A 1 ATOM 794 N N . ASP A 1 100 ? 3.891 -4.469 -9.852 1.00 96.04 100 A 1 ATOM 795 C CA . ASP A 1 100 ? 3.349 -5.637 -10.553 1.00 95.73 100 A 1 ATOM 796 C C . ASP A 1 100 ? 4.241 -6.103 -11.724 1.00 96.13 100 A 1 ATOM 797 O O . ASP A 1 100 ? 3.876 -6.998 -12.490 1.00 94.24 100 A 1 ATOM 798 C CB . ASP A 1 100 ? 1.910 -5.333 -11.001 1.00 94.34 100 A 1 ATOM 799 C CG . ASP A 1 100 ? 0.922 -5.135 -9.840 1.00 91.24 100 A 1 ATOM 800 O OD1 . ASP A 1 100 ? 1.072 -5.843 -8.818 1.00 87.13 100 A 1 ATOM 801 O OD2 . ASP A 1 100 ? -0.022 -4.339 -10.028 1.00 86.32 100 A 1 ATOM 802 N N . GLY A 1 101 ? 5.432 -5.532 -11.856 1.00 95.77 101 A 1 ATOM 803 C CA . GLY A 1 101 ? 6.429 -5.921 -12.860 1.00 95.99 101 A 1 ATOM 804 C C . GLY A 1 101 ? 6.447 -5.069 -14.129 1.00 96.73 101 A 1 ATOM 805 O O . GLY A 1 101 ? 7.108 -5.456 -15.102 1.00 95.17 101 A 1 ATOM 806 N N . GLU A 1 102 ? 5.774 -3.921 -14.150 1.00 95.79 102 A 1 ATOM 807 C CA . GLU A 1 102 ? 6.007 -2.911 -15.186 1.00 96.06 102 A 1 ATOM 808 C C . GLU A 1 102 ? 7.411 -2.298 -15.031 1.00 97.03 102 A 1 ATOM 809 O O . GLU A 1 102 ? 8.063 -2.397 -13.991 1.00 96.47 102 A 1 ATOM 810 C CB . GLU A 1 102 ? 4.890 -1.854 -15.207 1.00 94.80 102 A 1 ATOM 811 C CG . GLU A 1 102 ? 4.956 -1.024 -16.501 1.00 83.22 102 A 1 ATOM 812 C CD . GLU A 1 102 ? 3.812 -0.021 -16.680 1.00 77.18 102 A 1 ATOM 813 O OE1 . GLU A 1 102 ? 3.512 0.264 -17.866 1.00 68.17 102 A 1 ATOM 814 O OE2 . GLU A 1 102 ? 3.312 0.476 -15.663 1.00 68.23 102 A 1 ATOM 815 N N . THR A 1 103 ? 7.925 -1.692 -16.101 1.00 96.63 103 A 1 ATOM 816 C CA . THR A 1 103 ? 9.257 -1.080 -16.116 1.00 96.99 103 A 1 ATOM 817 C C . THR A 1 103 ? 9.195 0.314 -16.719 1.00 97.10 103 A 1 ATOM 818 O O . THR A 1 103 ? 8.579 0.494 -17.768 1.00 96.39 103 A 1 ATOM 819 C CB . THR A 1 103 ? 10.267 -1.920 -16.912 1.00 96.35 103 A 1 ATOM 820 O OG1 . THR A 1 103 ? 9.900 -1.974 -18.280 1.00 94.12 103 A 1 ATOM 821 C CG2 . THR A 1 103 ? 10.403 -3.362 -16.427 1.00 93.39 103 A 1 ATOM 822 N N . ILE A 1 104 ? 9.934 1.261 -16.145 1.00 96.80 104 A 1 ATOM 823 C CA . ILE A 1 104 ? 10.148 2.590 -16.725 1.00 96.75 104 A 1 ATOM 824 C C . ILE A 1 104 ? 11.336 2.521 -17.682 1.00 96.76 104 A 1 ATOM 825 O O . ILE A 1 104 ? 12.387 1.957 -17.354 1.00 96.57 104 A 1 ATOM 826 C CB . ILE A 1 104 ? 10.356 3.659 -15.632 1.00 96.83 104 A 1 ATOM 827 C CG1 . ILE A 1 104 ? 9.154 3.709 -14.666 1.00 95.89 104 A 1 ATOM 828 C CG2 . ILE A 1 104 ? 10.590 5.042 -16.270 1.00 95.99 104 A 1 ATOM 829 C CD1 . ILE A 1 104 ? 9.392 4.601 -13.443 1.00 94.49 104 A 1 ATOM 830 N N . LYS A 1 105 ? 11.184 3.128 -18.861 1.00 95.82 105 A 1 ATOM 831 C CA . LYS A 1 105 ? 12.234 3.215 -19.884 1.00 95.33 105 A 1 ATOM 832 C C . LYS A 1 105 ? 12.712 4.653 -20.018 1.00 94.99 105 A 1 ATOM 833 O O . LYS A 1 105 ? 11.968 5.513 -20.470 1.00 93.91 105 A 1 ATOM 834 C CB . LYS A 1 105 ? 11.727 2.674 -21.223 1.00 94.38 105 A 1 ATOM 835 C CG . LYS A 1 105 ? 11.374 1.193 -21.105 1.00 88.42 105 A 1 ATOM 836 C CD . LYS A 1 105 ? 10.964 0.614 -22.456 1.00 86.16 105 A 1 ATOM 837 C CE . LYS A 1 105 ? 10.585 -0.844 -22.214 1.00 77.66 105 A 1 ATOM 838 N NZ . LYS A 1 105 ? 10.070 -1.482 -23.438 1.00 70.50 105 A 1 ATOM 839 N N . LEU A 1 106 ? 13.970 4.903 -19.682 1.00 94.47 106 A 1 ATOM 840 C CA . LEU A 1 106 ? 14.575 6.228 -19.746 1.00 94.14 106 A 1 ATOM 841 C C . LEU A 1 106 ? 15.608 6.294 -20.870 1.00 93.98 106 A 1 ATOM 842 O O . LEU A 1 106 ? 16.434 5.394 -21.034 1.00 93.12 106 A 1 ATOM 843 C CB . LEU A 1 106 ? 15.178 6.590 -18.383 1.00 94.05 106 A 1 ATOM 844 C CG . LEU A 1 106 ? 14.159 6.607 -17.228 1.00 93.07 106 A 1 ATOM 845 C CD1 . LEU A 1 106 ? 14.888 6.853 -15.915 1.00 90.67 106 A 1 ATOM 846 C CD2 . LEU A 1 106 ? 13.113 7.706 -17.390 1.00 90.54 106 A 1 ATOM 847 N N . ASP A 1 107 ? 15.570 7.386 -21.634 1.00 92.69 107 A 1 ATOM 848 C CA . ASP A 1 107 ? 16.501 7.631 -22.739 1.00 91.61 107 A 1 ATOM 849 C C . ASP A 1 107 ? 17.922 7.896 -22.208 1.00 91.44 107 A 1 ATOM 850 O O . ASP A 1 107 ? 18.133 8.662 -21.265 1.00 89.01 107 A 1 ATOM 851 C CB . ASP A 1 107 ? 15.958 8.784 -23.598 1.00 89.36 107 A 1 ATOM 852 C CG . ASP A 1 107 ? 16.660 8.936 -24.954 1.00 81.19 107 A 1 ATOM 853 O OD1 . ASP A 1 107 ? 17.905 8.931 -24.975 1.00 75.72 107 A 1 ATOM 854 O OD2 . ASP A 1 107 ? 15.959 9.128 -25.969 1.00 75.37 107 A 1 ATOM 855 N N . MET A 1 108 ? 18.918 7.288 -22.837 1.00 90.99 108 A 1 ATOM 856 C CA . MET A 1 108 ? 20.331 7.410 -22.461 1.00 90.16 108 A 1 ATOM 857 C C . MET A 1 108 ? 20.983 8.730 -22.904 1.00 89.86 108 A 1 ATOM 858 O O . MET A 1 108 ? 22.163 8.951 -22.624 1.00 86.25 108 A 1 ATOM 859 C CB . MET A 1 108 ? 21.101 6.205 -23.019 1.00 88.23 108 A 1 ATOM 860 C CG . MET A 1 108 ? 20.710 4.885 -22.339 1.00 83.47 108 A 1 ATOM 861 S SD . MET A 1 108 ? 21.155 4.740 -20.581 1.00 78.34 108 A 1 ATOM 862 C CE . MET A 1 108 ? 22.965 4.757 -20.672 1.00 69.10 108 A 1 ATOM 863 N N . THR A 1 109 ? 20.248 9.606 -23.594 1.00 89.94 109 A 1 ATOM 864 C CA . THR A 1 109 ? 20.757 10.910 -24.063 1.00 88.97 109 A 1 ATOM 865 C C . THR A 1 109 ? 20.933 11.947 -22.949 1.00 88.39 109 A 1 ATOM 866 O O . THR A 1 109 ? 21.607 12.956 -23.167 1.00 83.92 109 A 1 ATOM 867 C CB . THR A 1 109 ? 19.886 11.502 -25.180 1.00 87.33 109 A 1 ATOM 868 O OG1 . THR A 1 109 ? 18.538 11.585 -24.802 1.00 81.50 109 A 1 ATOM 869 C CG2 . THR A 1 109 ? 19.979 10.687 -26.474 1.00 79.68 109 A 1 ATOM 870 N N . ASP A 1 110 ? 20.387 11.716 -21.755 1.00 86.62 110 A 1 ATOM 871 C CA . ASP A 1 110 ? 20.593 12.580 -20.591 1.00 85.77 110 A 1 ATOM 872 C C . ASP A 1 110 ? 21.978 12.340 -19.953 1.00 86.50 110 A 1 ATOM 873 O O . ASP A 1 110 ? 22.282 11.261 -19.443 1.00 84.17 110 A 1 ATOM 874 C CB . ASP A 1 110 ? 19.445 12.403 -19.584 1.00 83.57 110 A 1 ATOM 875 C CG . ASP A 1 110 ? 19.490 13.386 -18.398 1.00 79.53 110 A 1 ATOM 876 O OD1 . ASP A 1 110 ? 20.545 14.013 -18.141 1.00 75.13 110 A 1 ATOM 877 O OD2 . ASP A 1 110 ? 18.464 13.509 -17.704 1.00 73.67 110 A 1 ATOM 878 N N . ASP A 1 111 ? 22.806 13.396 -19.905 1.00 88.36 111 A 1 ATOM 879 C CA . ASP A 1 111 ? 24.138 13.378 -19.280 1.00 88.26 111 A 1 ATOM 880 C C . ASP A 1 111 ? 24.119 12.969 -17.791 1.00 88.52 111 A 1 ATOM 881 O O . ASP A 1 111 ? 25.148 12.568 -17.230 1.00 84.91 111 A 1 ATOM 882 C CB . ASP A 1 111 ? 24.765 14.778 -19.395 1.00 86.54 111 A 1 ATOM 883 C CG . ASP A 1 111 ? 25.235 15.185 -20.803 1.00 81.53 111 A 1 ATOM 884 O OD1 . ASP A 1 111 ? 25.587 14.296 -21.601 1.00 77.71 111 A 1 ATOM 885 O OD2 . ASP A 1 111 ? 25.361 16.415 -21.017 1.00 77.58 111 A 1 ATOM 886 N N . ASN A 1 112 ? 22.971 13.098 -17.116 1.00 89.01 112 A 1 ATOM 887 C CA . ASN A 1 112 ? 22.809 12.739 -15.704 1.00 89.31 112 A 1 ATOM 888 C C . ASN A 1 112 ? 22.203 11.350 -15.477 1.00 91.73 112 A 1 ATOM 889 O O . ASN A 1 112 ? 22.068 10.947 -14.316 1.00 90.38 112 A 1 ATOM 890 C CB . ASN A 1 112 ? 22.018 13.827 -14.973 1.00 85.95 112 A 1 ATOM 891 C CG . ASN A 1 112 ? 22.729 15.161 -14.990 1.00 78.35 112 A 1 ATOM 892 O OD1 . ASN A 1 112 ? 23.852 15.318 -14.504 1.00 71.86 112 A 1 ATOM 893 N ND2 . ASN A 1 112 ? 22.087 16.166 -15.532 1.00 69.64 112 A 1 ATOM 894 N N . ILE A 1 113 ? 21.901 10.597 -16.532 1.00 91.33 113 A 1 ATOM 895 C CA . ILE A 1 113 ? 21.230 9.293 -16.430 1.00 92.80 113 A 1 ATOM 896 C C . ILE A 1 113 ? 22.008 8.299 -15.556 1.00 94.34 113 A 1 ATOM 897 O O . ILE A 1 113 ? 21.418 7.585 -14.751 1.00 94.47 113 A 1 ATOM 898 C CB . ILE A 1 113 ? 20.964 8.739 -17.847 1.00 91.49 113 A 1 ATOM 899 C CG1 . ILE A 1 113 ? 19.894 7.636 -17.859 1.00 85.18 113 A 1 ATOM 900 C CG2 . ILE A 1 113 ? 22.249 8.212 -18.520 1.00 84.96 113 A 1 ATOM 901 C CD1 . ILE A 1 113 ? 18.499 8.160 -17.505 1.00 78.04 113 A 1 ATOM 902 N N . THR A 1 114 ? 23.347 8.327 -15.617 1.00 93.70 114 A 1 ATOM 903 C CA . THR A 1 114 ? 24.189 7.469 -14.769 1.00 94.07 114 A 1 ATOM 904 C C . THR A 1 114 ? 24.039 7.807 -13.284 1.00 95.51 114 A 1 ATOM 905 O O . THR A 1 114 ? 23.985 6.908 -12.451 1.00 95.56 114 A 1 ATOM 906 C CB . THR A 1 114 ? 25.666 7.588 -15.163 1.00 92.35 114 A 1 ATOM 907 O OG1 . THR A 1 114 ? 25.817 7.410 -16.549 1.00 85.65 114 A 1 ATOM 908 C CG2 . THR A 1 114 ? 26.546 6.540 -14.484 1.00 83.21 114 A 1 ATOM 909 N N . LYS A 1 115 ? 23.929 9.101 -12.934 1.00 95.54 115 A 1 ATOM 910 C CA . LYS A 1 115 ? 23.721 9.506 -11.532 1.00 96.14 115 A 1 ATOM 911 C C . LYS A 1 115 ? 22.332 9.121 -11.037 1.00 97.04 115 A 1 ATOM 912 O O . LYS A 1 115 ? 22.190 8.798 -9.862 1.00 97.04 115 A 1 ATOM 913 C CB . LYS A 1 115 ? 23.888 11.014 -11.354 1.00 95.68 115 A 1 ATOM 914 C CG . LYS A 1 115 ? 25.298 11.528 -11.652 1.00 91.30 115 A 1 ATOM 915 C CD . LYS A 1 115 ? 25.278 13.049 -11.488 1.00 86.95 115 A 1 ATOM 916 C CE . LYS A 1 115 ? 26.579 13.669 -11.984 1.00 79.65 115 A 1 ATOM 917 N NZ . LYS A 1 115 ? 26.331 15.076 -12.392 1.00 70.31 115 A 1 ATOM 918 N N . LEU A 1 116 ? 21.326 9.183 -11.914 1.00 96.03 116 A 1 ATOM 919 C CA . LEU A 1 116 ? 19.996 8.676 -11.597 1.00 96.50 116 A 1 ATOM 920 C C . LEU A 1 116 ? 20.051 7.167 -11.341 1.00 97.11 116 A 1 ATOM 921 O O . LEU A 1 116 ? 19.577 6.729 -10.300 1.00 97.31 116 A 1 ATOM 922 C CB . LEU A 1 116 ? 19.013 9.032 -12.724 1.00 96.28 116 A 1 ATOM 923 C CG . LEU A 1 116 ? 17.592 8.490 -12.470 1.00 95.67 116 A 1 ATOM 924 C CD1 . LEU A 1 116 ? 16.907 9.193 -11.299 1.00 94.01 116 A 1 ATOM 925 C CD2 . LEU A 1 116 ? 16.729 8.677 -13.714 1.00 93.89 116 A 1 ATOM 926 N N . ALA A 1 117 ? 20.699 6.399 -12.220 1.00 96.90 117 A 1 ATOM 927 C CA . ALA A 1 117 ? 20.859 4.955 -12.056 1.00 96.81 117 A 1 ATOM 928 C C . ALA A 1 117 ? 21.533 4.596 -10.723 1.00 97.45 117 A 1 ATOM 929 O O . ALA A 1 117 ? 21.033 3.749 -9.986 1.00 97.56 117 A 1 ATOM 930 C CB . ALA A 1 117 ? 21.660 4.403 -13.242 1.00 96.06 117 A 1 ATOM 931 N N . ASP A 1 118 ? 22.625 5.287 -10.378 1.00 97.20 118 A 1 ATOM 932 C CA . ASP A 1 118 ? 23.305 5.096 -9.092 1.00 97.51 118 A 1 ATOM 933 C C . ASP A 1 118 ? 22.377 5.400 -7.902 1.00 97.89 118 A 1 ATOM 934 O O . ASP A 1 118 ? 22.405 4.690 -6.897 1.00 97.71 118 A 1 ATOM 935 C CB . ASP A 1 118 ? 24.544 6.006 -9.007 1.00 97.16 118 A 1 ATOM 936 C CG . ASP A 1 118 ? 25.733 5.587 -9.885 1.00 95.17 118 A 1 ATOM 937 O OD1 . ASP A 1 118 ? 25.815 4.405 -10.282 1.00 91.88 118 A 1 ATOM 938 O OD2 . ASP A 1 118 ? 26.618 6.461 -10.082 1.00 91.56 118 A 1 ATOM 939 N N . ALA A 1 119 ? 21.555 6.452 -8.013 1.00 97.69 119 A 1 ATOM 940 C CA . ALA A 1 119 ? 20.620 6.832 -6.958 1.00 97.71 119 A 1 ATOM 941 C C . ALA A 1 119 ? 19.448 5.848 -6.827 1.00 97.83 119 A 1 ATOM 942 O O . ALA A 1 119 ? 19.074 5.520 -5.704 1.00 97.51 119 A 1 ATOM 943 C CB . ALA A 1 119 ? 20.146 8.265 -7.212 1.00 97.78 119 A 1 ATOM 944 N N . VAL A 1 120 ? 18.910 5.347 -7.943 1.00 97.98 120 A 1 ATOM 945 C CA . VAL A 1 120 ? 17.878 4.293 -7.949 1.00 97.86 120 A 1 ATOM 946 C C . VAL A 1 120 ? 18.434 3.000 -7.356 1.00 97.77 120 A 1 ATOM 947 O O . VAL A 1 120 ? 17.813 2.419 -6.476 1.00 97.60 120 A 1 ATOM 948 C CB . VAL A 1 120 ? 17.327 4.062 -9.367 1.00 97.80 120 A 1 ATOM 949 C CG1 . VAL A 1 120 ? 16.381 2.855 -9.428 1.00 97.13 120 A 1 ATOM 950 C CG2 . VAL A 1 120 ? 16.531 5.282 -9.859 1.00 97.19 120 A 1 ATOM 951 N N . ASN A 1 121 ? 19.644 2.593 -7.744 1.00 97.97 121 A 1 ATOM 952 C CA . ASN A 1 121 ? 20.293 1.395 -7.196 1.00 97.71 121 A 1 ATOM 953 C C . ASN A 1 121 ? 20.705 1.526 -5.718 1.00 97.59 121 A 1 ATOM 954 O O . ASN A 1 121 ? 21.112 0.539 -5.106 1.00 96.75 121 A 1 ATOM 955 C CB . ASN A 1 121 ? 21.508 1.050 -8.077 1.00 97.43 121 A 1 ATOM 956 C CG . ASN A 1 121 ? 21.100 0.476 -9.420 1.00 97.06 121 A 1 ATOM 957 O OD1 . ASN A 1 121 ? 20.179 -0.310 -9.529 1.00 92.23 121 A 1 ATOM 958 N ND2 . ASN A 1 121 ? 21.780 0.818 -10.486 1.00 92.45 121 A 1 ATOM 959 N N . ALA A 1 122 ? 20.639 2.728 -5.148 1.00 97.89 122 A 1 ATOM 960 C CA . ALA A 1 122 ? 20.819 2.958 -3.718 1.00 97.71 122 A 1 ATOM 961 C C . ALA A 1 122 ? 19.504 2.877 -2.918 1.00 97.43 122 A 1 ATOM 962 O O . ALA A 1 122 ? 19.567 2.945 -1.689 1.00 96.12 122 A 1 ATOM 963 C CB . ALA A 1 122 ? 21.534 4.306 -3.530 1.00 97.69 122 A 1 ATOM 964 N N . THR A 1 123 ? 18.355 2.768 -3.587 1.00 97.60 123 A 1 ATOM 965 C CA . THR A 1 123 ? 17.053 2.535 -2.946 1.00 97.10 123 A 1 ATOM 966 C C . THR A 1 123 ? 16.928 1.084 -2.478 1.00 96.67 123 A 1 ATOM 967 O O . THR A 1 123 ? 17.706 0.214 -2.876 1.00 96.00 123 A 1 ATOM 968 C CB . THR A 1 123 ? 15.862 2.909 -3.846 1.00 96.95 123 A 1 ATOM 969 O OG1 . THR A 1 123 ? 15.705 2.016 -4.921 1.00 96.06 123 A 1 ATOM 970 C CG2 . THR A 1 123 ? 15.943 4.331 -4.407 1.00 95.76 123 A 1 ATOM 971 N N . GLU A 1 124 ? 15.964 0.816 -1.616 1.00 96.69 124 A 1 ATOM 972 C CA . GLU A 1 124 ? 15.707 -0.540 -1.108 1.00 96.05 124 A 1 ATOM 973 C C . GLU A 1 124 ? 14.882 -1.376 -2.096 1.00 96.36 124 A 1 ATOM 974 O O . GLU A 1 124 ? 15.081 -2.589 -2.194 1.00 94.94 124 A 1 ATOM 975 C CB . GLU A 1 124 ? 15.031 -0.429 0.274 1.00 94.67 124 A 1 ATOM 976 C CG . GLU A 1 124 ? 14.864 -1.788 0.984 1.00 84.70 124 A 1 ATOM 977 C CD . GLU A 1 124 ? 14.387 -1.688 2.451 1.00 81.53 124 A 1 ATOM 978 O OE1 . GLU A 1 124 ? 14.071 -2.753 3.036 1.00 72.93 124 A 1 ATOM 979 O OE2 . GLU A 1 124 ? 14.405 -0.577 3.036 1.00 74.14 124 A 1 ATOM 980 N N . HIS A 1 125 ? 13.980 -0.722 -2.838 1.00 96.37 125 A 1 ATOM 981 C CA . HIS A 1 125 ? 12.909 -1.397 -3.567 1.00 96.42 125 A 1 ATOM 982 C C . HIS A 1 125 ? 13.040 -1.347 -5.089 1.00 97.09 125 A 1 ATOM 983 O O . HIS A 1 125 ? 12.250 -1.989 -5.777 1.00 96.28 125 A 1 ATOM 984 C CB . HIS A 1 125 ? 11.576 -0.820 -3.094 1.00 95.47 125 A 1 ATOM 985 C CG . HIS A 1 125 ? 11.337 -1.057 -1.625 1.00 94.33 125 A 1 ATOM 986 N ND1 . HIS A 1 125 ? 11.168 -2.286 -1.029 1.00 86.29 125 A 1 ATOM 987 C CD2 . HIS A 1 125 ? 11.287 -0.115 -0.630 1.00 87.91 125 A 1 ATOM 988 C CE1 . HIS A 1 125 ? 11.012 -2.087 0.290 1.00 88.42 125 A 1 ATOM 989 N NE2 . HIS A 1 125 ? 11.073 -0.780 0.587 1.00 89.98 125 A 1 ATOM 990 N N . PHE A 1 126 ? 14.023 -0.614 -5.640 1.00 97.22 126 A 1 ATOM 991 C CA . PHE A 1 126 ? 14.171 -0.456 -7.085 1.00 97.45 126 A 1 ATOM 992 C C . PHE A 1 126 ? 15.593 -0.719 -7.569 1.00 97.74 126 A 1 ATOM 993 O O . PHE A 1 126 ? 16.579 -0.497 -6.862 1.00 97.47 126 A 1 ATOM 994 C CB . PHE A 1 126 ? 13.678 0.930 -7.520 1.00 97.29 126 A 1 ATOM 995 C CG . PHE A 1 126 ? 12.213 1.168 -7.217 1.00 97.32 126 A 1 ATOM 996 C CD1 . PHE A 1 126 ? 11.220 0.691 -8.095 1.00 96.26 126 A 1 ATOM 997 C CD2 . PHE A 1 126 ? 11.841 1.816 -6.024 1.00 96.46 126 A 1 ATOM 998 C CE1 . PHE A 1 126 ? 9.862 0.854 -7.780 1.00 95.87 126 A 1 ATOM 999 C CE2 . PHE A 1 126 ? 10.479 1.975 -5.706 1.00 95.88 126 A 1 ATOM 1000 C CZ . PHE A 1 126 ? 9.490 1.492 -6.581 1.00 95.91 126 A 1 ATOM 1001 N N . THR A 1 127 ? 15.691 -1.148 -8.814 1.00 97.69 127 A 1 ATOM 1002 C CA . THR A 1 127 ? 16.964 -1.296 -9.518 1.00 97.73 127 A 1 ATOM 1003 C C . THR A 1 127 ? 16.912 -0.610 -10.877 1.00 97.93 127 A 1 ATOM 1004 O O . THR A 1 127 ? 15.860 -0.526 -11.511 1.00 97.67 127 A 1 ATOM 1005 C CB . THR A 1 127 ? 17.380 -2.768 -9.613 1.00 96.94 127 A 1 ATOM 1006 O OG1 . THR A 1 127 ? 18.703 -2.859 -10.091 1.00 90.18 127 A 1 ATOM 1007 C CG2 . THR A 1 127 ? 16.503 -3.620 -10.531 1.00 89.57 127 A 1 ATOM 1008 N N . ALA A 1 128 ? 18.059 -0.101 -11.321 1.00 97.46 128 A 1 ATOM 1009 C CA . ALA A 1 128 ? 18.246 0.501 -12.630 1.00 97.37 128 A 1 ATOM 1010 C C . ALA A 1 128 ? 19.410 -0.168 -13.361 1.00 97.07 128 A 1 ATOM 1011 O O . ALA A 1 128 ? 20.511 -0.300 -12.817 1.00 96.50 128 A 1 ATOM 1012 C CB . ALA A 1 128 ? 18.466 2.010 -12.470 1.00 97.24 128 A 1 ATOM 1013 N N . TYR A 1 129 ? 19.187 -0.547 -14.615 1.00 96.49 129 A 1 ATOM 1014 C CA . TYR A 1 129 ? 20.212 -1.164 -15.453 1.00 95.76 129 A 1 ATOM 1015 C C . TYR A 1 129 ? 20.055 -0.767 -16.920 1.00 95.61 129 A 1 ATOM 1016 O O . TYR A 1 129 ? 18.989 -0.382 -17.381 1.00 94.72 129 A 1 ATOM 1017 C CB . TYR A 1 129 ? 20.200 -2.689 -15.279 1.00 95.24 129 A 1 ATOM 1018 C CG . TYR A 1 129 ? 18.906 -3.368 -15.689 1.00 95.05 129 A 1 ATOM 1019 C CD1 . TYR A 1 129 ? 17.876 -3.526 -14.742 1.00 93.53 129 A 1 ATOM 1020 C CD2 . TYR A 1 129 ? 18.724 -3.842 -17.004 1.00 93.71 129 A 1 ATOM 1021 C CE1 . TYR A 1 129 ? 16.671 -4.158 -15.103 1.00 92.09 129 A 1 ATOM 1022 C CE2 . TYR A 1 129 ? 17.515 -4.474 -17.371 1.00 92.70 129 A 1 ATOM 1023 C CZ . TYR A 1 129 ? 16.490 -4.634 -16.416 1.00 93.06 129 A 1 ATOM 1024 O OH . TYR A 1 129 ? 15.326 -5.248 -16.759 1.00 90.98 129 A 1 ATOM 1025 N N . LEU A 1 130 ? 21.151 -0.871 -17.674 1.00 93.38 130 A 1 ATOM 1026 C CA . LEU A 1 130 ? 21.126 -0.684 -19.122 1.00 92.26 130 A 1 ATOM 1027 C C . LEU A 1 130 ? 20.608 -1.962 -19.790 1.00 92.13 130 A 1 ATOM 1028 O O . LEU A 1 130 ? 21.216 -3.028 -19.642 1.00 90.62 130 A 1 ATOM 1029 C CB . LEU A 1 130 ? 22.536 -0.313 -19.604 1.00 89.77 130 A 1 ATOM 1030 C CG . LEU A 1 130 ? 22.636 -0.078 -21.127 1.00 76.91 130 A 1 ATOM 1031 C CD1 . LEU A 1 130 ? 21.830 1.136 -21.584 1.00 72.48 130 A 1 ATOM 1032 C CD2 . LEU A 1 130 ? 24.100 0.157 -21.514 1.00 72.93 130 A 1 ATOM 1033 N N . ASP A 1 131 ? 19.537 -1.842 -20.573 1.00 90.99 131 A 1 ATOM 1034 C CA . ASP A 1 131 ? 19.106 -2.930 -21.442 1.00 89.79 131 A 1 ATOM 1035 C C . ASP A 1 131 ? 20.076 -3.048 -22.624 1.00 88.40 131 A 1 ATOM 1036 O O . ASP A 1 131 ? 20.181 -2.171 -23.477 1.00 85.41 131 A 1 ATOM 1037 C CB . ASP A 1 131 ? 17.650 -2.730 -21.877 1.00 88.70 131 A 1 ATOM 1038 C CG . ASP A 1 131 ? 17.138 -3.823 -22.824 1.00 87.08 131 A 1 ATOM 1039 O OD1 . ASP A 1 131 ? 17.885 -4.782 -23.138 1.00 82.91 131 A 1 ATOM 1040 O OD2 . ASP A 1 131 ? 16.008 -3.664 -23.332 1.00 82.55 131 A 1 ATOM 1041 N N . SER A 1 132 ? 20.794 -4.155 -22.698 1.00 87.95 132 A 1 ATOM 1042 C CA . SER A 1 132 ? 21.768 -4.417 -23.762 1.00 86.50 132 A 1 ATOM 1043 C C . SER A 1 132 ? 21.152 -4.578 -25.154 1.00 86.44 132 A 1 ATOM 1044 O O . SER A 1 132 ? 21.889 -4.586 -26.139 1.00 81.38 132 A 1 ATOM 1045 C CB . SER A 1 132 ? 22.586 -5.658 -23.410 1.00 83.95 132 A 1 ATOM 1046 O OG . SER A 1 132 ? 21.772 -6.809 -23.316 1.00 77.57 132 A 1 ATOM 1047 N N . SER A 1 133 ? 19.829 -4.756 -25.236 1.00 85.96 133 A 1 ATOM 1048 C CA . SER A 1 133 ? 19.096 -4.910 -26.493 1.00 85.68 133 A 1 ATOM 1049 C C . SER A 1 133 ? 18.484 -3.604 -27.009 1.00 84.97 133 A 1 ATOM 1050 O O . SER A 1 133 ? 18.057 -3.550 -28.162 1.00 81.26 133 A 1 ATOM 1051 C CB . SER A 1 133 ? 18.045 -6.009 -26.350 1.00 84.79 133 A 1 ATOM 1052 O OG . SER A 1 133 ? 16.926 -5.629 -25.590 1.00 77.34 133 A 1 ATOM 1053 N N . THR A 1 134 ? 18.470 -2.558 -26.176 1.00 86.33 134 A 1 ATOM 1054 C CA . THR A 1 134 ? 17.889 -1.248 -26.484 1.00 84.30 134 A 1 ATOM 1055 C C . THR A 1 134 ? 18.794 -0.123 -25.966 1.00 83.95 134 A 1 ATOM 1056 O O . THR A 1 134 ? 19.626 -0.333 -25.088 1.00 79.17 134 A 1 ATOM 1057 C CB . THR A 1 134 ? 16.467 -1.123 -25.905 1.00 82.11 134 A 1 ATOM 1058 O OG1 . THR A 1 134 ? 16.456 -1.074 -24.505 1.00 78.77 134 A 1 ATOM 1059 C CG2 . THR A 1 134 ? 15.527 -2.250 -26.333 1.00 76.63 134 A 1 ATOM 1060 N N . ASP A 1 135 ? 18.618 1.108 -26.468 1.00 86.41 135 A 1 ATOM 1061 C CA . ASP A 1 135 ? 19.349 2.283 -25.972 1.00 86.80 135 A 1 ATOM 1062 C C . ASP A 1 135 ? 18.642 2.934 -24.763 1.00 88.82 135 A 1 ATOM 1063 O O . ASP A 1 135 ? 18.635 4.154 -24.609 1.00 85.61 135 A 1 ATOM 1064 C CB . ASP A 1 135 ? 19.616 3.269 -27.129 1.00 82.11 135 A 1 ATOM 1065 C CG . ASP A 1 135 ? 20.566 2.732 -28.212 1.00 74.65 135 A 1 ATOM 1066 O OD1 . ASP A 1 135 ? 21.548 2.035 -27.866 1.00 69.36 135 A 1 ATOM 1067 O OD2 . ASP A 1 135 ? 20.332 3.055 -29.401 1.00 68.70 135 A 1 ATOM 1068 N N . TYR A 1 136 ? 18.015 2.123 -23.896 1.00 91.80 136 A 1 ATOM 1069 C CA . TYR A 1 136 ? 17.280 2.599 -22.726 1.00 93.03 136 A 1 ATOM 1070 C C . TYR A 1 136 ? 17.891 2.106 -21.417 1.00 94.04 136 A 1 ATOM 1071 O O . TYR A 1 136 ? 18.348 0.965 -21.300 1.00 93.08 136 A 1 ATOM 1072 C CB . TYR A 1 136 ? 15.794 2.214 -22.815 1.00 92.13 136 A 1 ATOM 1073 C CG . TYR A 1 136 ? 15.055 2.858 -23.975 1.00 90.79 136 A 1 ATOM 1074 C CD1 . TYR A 1 136 ? 14.719 4.224 -23.924 1.00 86.63 136 A 1 ATOM 1075 C CD2 . TYR A 1 136 ? 14.727 2.099 -25.118 1.00 86.63 136 A 1 ATOM 1076 C CE1 . TYR A 1 136 ? 14.062 4.837 -25.011 1.00 84.11 136 A 1 ATOM 1077 C CE2 . TYR A 1 136 ? 14.070 2.705 -26.209 1.00 84.57 136 A 1 ATOM 1078 C CZ . TYR A 1 136 ? 13.740 4.078 -26.157 1.00 84.90 136 A 1 ATOM 1079 O OH . TYR A 1 136 ? 13.116 4.671 -27.213 1.00 82.57 136 A 1 ATOM 1080 N N . MET A 1 137 ? 17.837 2.972 -20.398 1.00 94.67 137 A 1 ATOM 1081 C CA . MET A 1 137 ? 17.953 2.544 -19.015 1.00 95.11 137 A 1 ATOM 1082 C C . MET A 1 137 ? 16.585 2.074 -18.532 1.00 95.98 137 A 1 ATOM 1083 O O . MET A 1 137 ? 15.598 2.796 -18.661 1.00 95.60 137 A 1 ATOM 1084 C CB . MET A 1 137 ? 18.497 3.684 -18.152 1.00 93.91 137 A 1 ATOM 1085 C CG . MET A 1 137 ? 18.779 3.213 -16.726 1.00 87.84 137 A 1 ATOM 1086 S SD . MET A 1 137 ? 19.440 4.528 -15.667 1.00 80.62 137 A 1 ATOM 1087 C CE . MET A 1 137 ? 17.910 5.389 -15.233 1.00 68.41 137 A 1 ATOM 1088 N N . ILE A 1 138 ? 16.541 0.872 -17.966 1.00 96.31 138 A 1 ATOM 1089 C CA . ILE A 1 138 ? 15.337 0.273 -17.391 1.00 96.69 138 A 1 ATOM 1090 C C . ILE A 1 138 ? 15.363 0.485 -15.880 1.00 97.12 138 A 1 ATOM 1091 O O . ILE A 1 138 ? 16.386 0.239 -15.248 1.00 97.15 138 A 1 ATOM 1092 C CB . ILE A 1 138 ? 15.248 -1.221 -17.756 1.00 96.37 138 A 1 ATOM 1093 C CG1 . ILE A 1 138 ? 15.356 -1.484 -19.280 1.00 94.66 138 A 1 ATOM 1094 C CG2 . ILE A 1 138 ? 13.945 -1.829 -17.210 1.00 95.34 138 A 1 ATOM 1095 C CD1 . ILE A 1 138 ? 14.333 -0.744 -20.153 1.00 88.16 138 A 1 ATOM 1096 N N . VAL A 1 139 ? 14.231 0.919 -15.319 1.00 96.91 139 A 1 ATOM 1097 C CA . VAL A 1 139 ? 13.982 0.955 -13.873 1.00 97.23 139 A 1 ATOM 1098 C C . VAL A 1 139 ? 12.837 -0.002 -13.564 1.00 97.33 139 A 1 ATOM 1099 O O . VAL A 1 139 ? 11.786 0.082 -14.194 1.00 97.29 139 A 1 ATOM 1100 C CB . VAL A 1 139 ? 13.663 2.377 -13.374 1.00 97.20 139 A 1 ATOM 1101 C CG1 . VAL A 1 139 ? 13.424 2.405 -11.861 1.00 96.27 139 A 1 ATOM 1102 C CG2 . VAL A 1 139 ? 14.803 3.352 -13.695 1.00 96.50 139 A 1 ATOM 1103 N N . GLU A 1 140 ? 13.041 -0.896 -12.605 1.00 97.41 140 A 1 ATOM 1104 C CA . GLU A 1 140 ? 12.044 -1.884 -12.178 1.00 97.21 140 A 1 ATOM 1105 C C . GLU A 1 140 ? 12.088 -2.101 -10.661 1.00 97.39 140 A 1 ATOM 1106 O O . GLU A 1 140 ? 13.081 -1.780 -9.996 1.00 97.03 140 A 1 ATOM 1107 C CB . GLU A 1 140 ? 12.219 -3.200 -12.960 1.00 95.76 140 A 1 ATOM 1108 C CG . GLU A 1 140 ? 13.523 -3.965 -12.663 1.00 93.00 140 A 1 ATOM 1109 C CD . GLU A 1 140 ? 13.756 -5.187 -13.571 1.00 93.25 140 A 1 ATOM 1110 O OE1 . GLU A 1 140 ? 14.679 -5.974 -13.260 1.00 85.66 140 A 1 ATOM 1111 O OE2 . GLU A 1 140 ? 13.102 -5.302 -14.634 1.00 87.72 140 A 1 ATOM 1112 N N . ALA A 1 141 ? 11.003 -2.640 -10.107 1.00 96.94 141 A 1 ATOM 1113 C CA . ALA A 1 141 ? 10.960 -3.039 -8.703 1.00 96.75 141 A 1 ATOM 1114 C C . ALA A 1 141 ? 11.845 -4.275 -8.462 1.00 96.43 141 A 1 ATOM 1115 O O . ALA A 1 141 ? 11.888 -5.212 -9.262 1.00 95.28 141 A 1 ATOM 1116 C CB . ALA A 1 141 ? 9.505 -3.264 -8.272 1.00 96.24 141 A 1 ATOM 1117 N N . THR A 1 142 ? 12.562 -4.276 -7.343 1.00 96.15 142 A 1 ATOM 1118 C CA . THR A 1 142 ? 13.373 -5.420 -6.909 1.00 94.69 142 A 1 ATOM 1119 C C . THR A 1 142 ? 12.452 -6.496 -6.333 1.00 92.24 142 A 1 ATOM 1120 O O . THR A 1 142 ? 11.638 -6.207 -5.458 1.00 85.04 142 A 1 ATOM 1121 C CB . THR A 1 142 ? 14.431 -4.985 -5.884 1.00 93.22 142 A 1 ATOM 1122 O OG1 . THR A 1 142 ? 15.147 -3.865 -6.366 1.00 85.98 142 A 1 ATOM 1123 C CG2 . THR A 1 142 ? 15.466 -6.076 -5.619 1.00 82.65 142 A 1 ATOM 1124 N N . GLN A 1 143 ? 12.566 -7.737 -6.840 1.00 90.92 143 A 1 ATOM 1125 C CA . GLN A 1 143 ? 11.803 -8.897 -6.363 1.00 86.63 143 A 1 ATOM 1126 C C . GLN A 1 143 ? 12.342 -9.483 -5.054 1.00 80.20 143 A 1 ATOM 1127 O O . GLN A 1 143 ? 13.576 -9.462 -4.859 1.00 72.25 143 A 1 ATOM 1128 C CB . GLN A 1 143 ? 11.745 -10.002 -7.433 1.00 80.40 143 A 1 ATOM 1129 C CG . GLN A 1 143 ? 10.919 -9.590 -8.659 1.00 73.17 143 A 1 ATOM 1130 C CD . GLN A 1 143 ? 10.696 -10.737 -9.654 1.00 67.06 143 A 1 ATOM 1131 O OE1 . GLN A 1 143 ? 11.172 -11.863 -9.537 1.00 61.95 143 A 1 ATOM 1132 N NE2 . GLN A 1 143 ? 9.923 -10.491 -10.695 1.00 59.06 143 A 1 ATOM 1133 O OXT . GLN A 1 143 ? 11.484 -9.975 -4.273 1.00 64.78 143 A 1 #