# 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_aca12 # _entry.id aca12 # 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 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 LEU 2 1 n ILE 3 1 n ASN 4 1 n THR 5 1 n SER 6 1 n ARG 7 1 n VAL 8 1 n GLU 9 1 n MET 10 1 n VAL 11 1 n LEU 12 1 n MET 13 1 n ASN 14 1 n LYS 15 1 n ALA 16 1 n ILE 17 1 n SER 18 1 n ALA 19 1 n TYR 20 1 n ARG 21 1 n LEU 22 1 n ALA 23 1 n LYS 24 1 n GLU 25 1 n ILE 26 1 n GLY 27 1 n ILE 28 1 n GLN 29 1 n GLU 30 1 n SER 31 1 n SER 32 1 n ILE 33 1 n SER 34 1 n LEU 35 1 n LEU 36 1 n ARG 37 1 n ASN 38 1 n GLY 39 1 n LYS 40 1 n LYS 41 1 n ASP 42 1 n LEU 43 1 n ASP 44 1 n LYS 45 1 n LEU 46 1 n SER 47 1 n LEU 48 1 n GLU 49 1 n VAL 50 1 n ALA 51 1 n MET 52 1 n ARG 53 1 n VAL 54 1 n GLN 55 1 n ALA 56 1 n TRP 57 1 n ILE 58 1 n ASP 59 1 n ALA 60 1 n GLY 61 1 n ASN 62 1 n TYR 63 1 n SER 64 1 n PHE 65 1 n SER 66 1 n TYR 67 1 n ASP 68 1 n TYR 69 1 n SER 70 1 n GLU 71 1 n LEU 72 1 n ILE 73 1 n GLU 74 1 n LYS 75 1 n LEU 76 1 n GLU 77 1 n ALA 78 1 n ASP 79 1 n ILE 80 1 n GLU 81 1 n LYS 82 1 n GLY 83 1 n LEU 84 1 n ALA 85 1 n ASP 86 1 n GLU 87 1 n TYR 88 1 n ILE 89 1 n TYR 90 1 n ILE 91 1 n VAL 92 1 n ARG 93 1 n GLY 94 1 n GLY 95 1 n TYR 96 1 n ASN 97 1 n GLU 98 1 n VAL 99 1 n MET 100 1 n GLU 101 1 n LYS 102 1 n CYS 103 1 n MET 104 1 n ILE 105 1 n ILE 106 1 n ASP 107 1 n TYR 108 1 n TYR 109 1 n TYR 110 1 n ASP 111 1 n PRO 112 1 n GLU 113 1 n GLU 114 1 n ILE 115 1 n ALA 116 1 n GLU 117 1 n GLY 118 1 n ASP 119 1 n ILE 120 1 n ALA 121 1 n GLU 122 1 n LYS 123 1 n VAL 124 1 n LEU 125 1 n THR 126 1 n SER 127 1 n SER 128 1 n ALA 129 1 n LEU 130 1 n ALA 131 1 n GLU 132 1 n MET 133 1 n GLU 134 1 n LYS 135 1 n ASP 136 1 n ASN 137 1 n GLU 138 1 n ILE 139 1 n PHE 140 # _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 19:31:13)" _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 92.41 _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 89.23 1 1 A LEU 2 2 88.49 1 2 A ILE 3 2 95.24 1 3 A ASN 4 2 95.74 1 4 A THR 5 2 94.78 1 5 A SER 6 2 95.04 1 6 A ARG 7 2 93.84 1 7 A VAL 8 2 96.87 1 8 A GLU 9 2 91.83 1 9 A MET 10 2 89.67 1 10 A VAL 11 2 96.01 1 11 A LEU 12 2 96.29 1 12 A MET 13 2 93.50 1 13 A ASN 14 2 92.10 1 14 A LYS 15 2 88.70 1 15 A ALA 16 2 91.71 1 16 A ILE 17 2 91.97 1 17 A SER 18 2 94.43 1 18 A ALA 19 2 96.03 1 19 A TYR 20 2 93.62 1 20 A ARG 21 2 85.79 1 21 A LEU 22 2 92.53 1 22 A ALA 23 2 96.33 1 23 A LYS 24 2 88.28 1 24 A GLU 25 2 92.33 1 25 A ILE 26 2 92.30 1 26 A GLY 27 2 95.00 1 27 A ILE 28 2 88.73 1 28 A GLN 29 2 86.70 1 29 A GLU 30 2 91.96 1 30 A SER 31 2 94.50 1 31 A SER 32 2 93.06 1 32 A ILE 33 2 95.49 1 33 A SER 34 2 94.77 1 34 A LEU 35 2 94.90 1 35 A LEU 36 2 93.81 1 36 A ARG 37 2 95.56 1 37 A ASN 38 2 91.79 1 38 A GLY 39 2 95.38 1 39 A LYS 40 2 90.33 1 40 A LYS 41 2 88.28 1 41 A ASP 42 2 89.99 1 42 A LEU 43 2 87.84 1 43 A ASP 44 2 88.19 1 44 A LYS 45 2 86.61 1 45 A LEU 46 2 87.82 1 46 A SER 47 2 93.08 1 47 A LEU 48 2 93.72 1 48 A GLU 49 2 87.51 1 49 A VAL 50 2 95.16 1 50 A ALA 51 2 96.70 1 51 A MET 52 2 94.30 1 52 A ARG 53 2 91.09 1 53 A VAL 54 2 96.60 1 54 A GLN 55 2 96.05 1 55 A ALA 56 2 97.21 1 56 A TRP 57 2 95.75 1 57 A ILE 58 2 95.73 1 58 A ASP 59 2 94.79 1 59 A ALA 60 2 95.19 1 60 A GLY 61 2 92.82 1 61 A ASN 62 2 92.15 1 62 A TYR 63 2 90.21 1 63 A SER 64 2 88.07 1 64 A PHE 65 2 92.01 1 65 A SER 66 2 91.52 1 66 A TYR 67 2 92.42 1 67 A ASP 68 2 92.52 1 68 A TYR 69 2 96.08 1 69 A SER 70 2 94.36 1 70 A GLU 71 2 89.88 1 71 A LEU 72 2 95.35 1 72 A ILE 73 2 96.94 1 73 A GLU 74 2 90.69 1 74 A LYS 75 2 89.20 1 75 A LEU 76 2 97.55 1 76 A GLU 77 2 96.12 1 77 A ALA 78 2 98.11 1 78 A ASP 79 2 95.75 1 79 A ILE 80 2 97.23 1 80 A GLU 81 2 90.76 1 81 A LYS 82 2 94.52 1 82 A GLY 83 2 96.09 1 83 A LEU 84 2 93.45 1 84 A ALA 85 2 94.87 1 85 A ASP 86 2 92.50 1 86 A GLU 87 2 93.19 1 87 A TYR 88 2 96.60 1 88 A ILE 89 2 97.42 1 89 A TYR 90 2 97.58 1 90 A ILE 91 2 97.98 1 91 A VAL 92 2 97.59 1 92 A ARG 93 2 96.73 1 93 A GLY 94 2 96.93 1 94 A GLY 95 2 96.19 1 95 A TYR 96 2 94.50 1 96 A ASN 97 2 94.14 1 97 A GLU 98 2 87.46 1 98 A VAL 99 2 92.77 1 99 A MET 100 2 93.32 1 100 A GLU 101 2 90.67 1 101 A LYS 102 2 92.97 1 102 A CYS 103 2 97.41 1 103 A MET 104 2 95.47 1 104 A ILE 105 2 97.56 1 105 A ILE 106 2 96.25 1 106 A ASP 107 2 94.74 1 107 A TYR 108 2 96.08 1 108 A TYR 109 2 96.33 1 109 A TYR 110 2 93.96 1 110 A ASP 111 2 92.88 1 111 A PRO 112 2 96.41 1 112 A GLU 113 2 91.83 1 113 A GLU 114 2 90.74 1 114 A ILE 115 2 96.74 1 115 A ALA 116 2 96.30 1 116 A GLU 117 2 87.93 1 117 A GLY 118 2 95.09 1 118 A ASP 119 2 94.58 1 119 A ILE 120 2 94.90 1 120 A ALA 121 2 97.51 1 121 A GLU 122 2 91.14 1 122 A LYS 123 2 97.17 1 123 A VAL 124 2 97.05 1 124 A LEU 125 2 96.26 1 125 A THR 126 2 98.10 1 126 A SER 127 2 97.57 1 127 A SER 128 2 96.15 1 128 A ALA 129 2 98.26 1 129 A LEU 130 2 96.74 1 130 A ALA 131 2 97.05 1 131 A GLU 132 2 96.06 1 132 A MET 133 2 96.83 1 133 A GLU 134 2 94.69 1 134 A LYS 135 2 88.15 1 135 A ASP 136 2 94.10 1 136 A ASN 137 2 89.59 1 137 A GLU 138 2 64.66 1 138 A ILE 139 2 52.38 1 139 A PHE 140 2 38.28 1 140 # _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 LEU . 2 A 2 A 3 1 n ILE . 3 A 3 A 4 1 n ASN . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n GLU . 9 A 9 A 10 1 n MET . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n MET . 13 A 13 A 14 1 n ASN . 14 A 14 A 15 1 n LYS . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n TYR . 20 A 20 A 21 1 n ARG . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n LYS . 24 A 24 A 25 1 n GLU . 25 A 25 A 26 1 n ILE . 26 A 26 A 27 1 n GLY . 27 A 27 A 28 1 n ILE . 28 A 28 A 29 1 n GLN . 29 A 29 A 30 1 n GLU . 30 A 30 A 31 1 n SER . 31 A 31 A 32 1 n SER . 32 A 32 A 33 1 n ILE . 33 A 33 A 34 1 n SER . 34 A 34 A 35 1 n LEU . 35 A 35 A 36 1 n LEU . 36 A 36 A 37 1 n ARG . 37 A 37 A 38 1 n ASN . 38 A 38 A 39 1 n GLY . 39 A 39 A 40 1 n LYS . 40 A 40 A 41 1 n LYS . 41 A 41 A 42 1 n ASP . 42 A 42 A 43 1 n LEU . 43 A 43 A 44 1 n ASP . 44 A 44 A 45 1 n LYS . 45 A 45 A 46 1 n LEU . 46 A 46 A 47 1 n SER . 47 A 47 A 48 1 n LEU . 48 A 48 A 49 1 n GLU . 49 A 49 A 50 1 n VAL . 50 A 50 A 51 1 n ALA . 51 A 51 A 52 1 n MET . 52 A 52 A 53 1 n ARG . 53 A 53 A 54 1 n VAL . 54 A 54 A 55 1 n GLN . 55 A 55 A 56 1 n ALA . 56 A 56 A 57 1 n TRP . 57 A 57 A 58 1 n ILE . 58 A 58 A 59 1 n ASP . 59 A 59 A 60 1 n ALA . 60 A 60 A 61 1 n GLY . 61 A 61 A 62 1 n ASN . 62 A 62 A 63 1 n TYR . 63 A 63 A 64 1 n SER . 64 A 64 A 65 1 n PHE . 65 A 65 A 66 1 n SER . 66 A 66 A 67 1 n TYR . 67 A 67 A 68 1 n ASP . 68 A 68 A 69 1 n TYR . 69 A 69 A 70 1 n SER . 70 A 70 A 71 1 n GLU . 71 A 71 A 72 1 n LEU . 72 A 72 A 73 1 n ILE . 73 A 73 A 74 1 n GLU . 74 A 74 A 75 1 n LYS . 75 A 75 A 76 1 n LEU . 76 A 76 A 77 1 n GLU . 77 A 77 A 78 1 n ALA . 78 A 78 A 79 1 n ASP . 79 A 79 A 80 1 n ILE . 80 A 80 A 81 1 n GLU . 81 A 81 A 82 1 n LYS . 82 A 82 A 83 1 n GLY . 83 A 83 A 84 1 n LEU . 84 A 84 A 85 1 n ALA . 85 A 85 A 86 1 n ASP . 86 A 86 A 87 1 n GLU . 87 A 87 A 88 1 n TYR . 88 A 88 A 89 1 n ILE . 89 A 89 A 90 1 n TYR . 90 A 90 A 91 1 n ILE . 91 A 91 A 92 1 n VAL . 92 A 92 A 93 1 n ARG . 93 A 93 A 94 1 n GLY . 94 A 94 A 95 1 n GLY . 95 A 95 A 96 1 n TYR . 96 A 96 A 97 1 n ASN . 97 A 97 A 98 1 n GLU . 98 A 98 A 99 1 n VAL . 99 A 99 A 100 1 n MET . 100 A 100 A 101 1 n GLU . 101 A 101 A 102 1 n LYS . 102 A 102 A 103 1 n CYS . 103 A 103 A 104 1 n MET . 104 A 104 A 105 1 n ILE . 105 A 105 A 106 1 n ILE . 106 A 106 A 107 1 n ASP . 107 A 107 A 108 1 n TYR . 108 A 108 A 109 1 n TYR . 109 A 109 A 110 1 n TYR . 110 A 110 A 111 1 n ASP . 111 A 111 A 112 1 n PRO . 112 A 112 A 113 1 n GLU . 113 A 113 A 114 1 n GLU . 114 A 114 A 115 1 n ILE . 115 A 115 A 116 1 n ALA . 116 A 116 A 117 1 n GLU . 117 A 117 A 118 1 n GLY . 118 A 118 A 119 1 n ASP . 119 A 119 A 120 1 n ILE . 120 A 120 A 121 1 n ALA . 121 A 121 A 122 1 n GLU . 122 A 122 A 123 1 n LYS . 123 A 123 A 124 1 n VAL . 124 A 124 A 125 1 n LEU . 125 A 125 A 126 1 n THR . 126 A 126 A 127 1 n SER . 127 A 127 A 128 1 n SER . 128 A 128 A 129 1 n ALA . 129 A 129 A 130 1 n LEU . 130 A 130 A 131 1 n ALA . 131 A 131 A 132 1 n GLU . 132 A 132 A 133 1 n MET . 133 A 133 A 134 1 n GLU . 134 A 134 A 135 1 n LYS . 135 A 135 A 136 1 n ASP . 136 A 136 A 137 1 n ASN . 137 A 137 A 138 1 n GLU . 138 A 138 A 139 1 n ILE . 139 A 139 A 140 1 n PHE . 140 A 140 # _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 ? -0.811 -16.616 -12.112 1.00 87.06 1 A 1 ATOM 2 C CA . MET A 1 1 ? -0.542 -16.023 -10.792 1.00 93.65 1 A 1 ATOM 3 C C . MET A 1 1 ? 0.453 -14.899 -11.008 1.00 94.93 1 A 1 ATOM 4 O O . MET A 1 1 ? 1.527 -15.166 -11.539 1.00 93.25 1 A 1 ATOM 5 C CB . MET A 1 1 ? -0.013 -17.102 -9.838 1.00 89.04 1 A 1 ATOM 6 C CG . MET A 1 1 ? 0.365 -16.589 -8.446 1.00 88.38 1 A 1 ATOM 7 S SD . MET A 1 1 ? 0.919 -17.955 -7.394 1.00 87.27 1 A 1 ATOM 8 C CE . MET A 1 1 ? 1.708 -17.015 -6.077 1.00 80.25 1 A 1 ATOM 9 N N . LEU A 1 2 ? 0.062 -13.673 -10.688 1.00 94.15 2 A 1 ATOM 10 C CA . LEU A 1 2 ? 0.961 -12.518 -10.656 1.00 95.03 2 A 1 ATOM 11 C C . LEU A 1 2 ? 1.663 -12.522 -9.297 1.00 95.68 2 A 1 ATOM 12 O O . LEU A 1 2 ? 1.010 -12.802 -8.294 1.00 94.81 2 A 1 ATOM 13 C CB . LEU A 1 2 ? 0.135 -11.231 -10.869 1.00 93.21 2 A 1 ATOM 14 C CG . LEU A 1 2 ? 0.988 -9.968 -11.115 1.00 81.79 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? 1.438 -9.896 -12.578 1.00 76.98 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? 0.182 -8.711 -10.801 1.00 76.26 2 A 1 ATOM 17 N N . ILE A 1 3 ? 2.969 -12.285 -9.254 1.00 95.24 3 A 1 ATOM 18 C CA . ILE A 1 3 ? 3.719 -12.169 -7.997 1.00 96.11 3 A 1 ATOM 19 C C . ILE A 1 3 ? 4.077 -10.701 -7.824 1.00 96.22 3 A 1 ATOM 20 O O . ILE A 1 3 ? 4.859 -10.165 -8.610 1.00 95.62 3 A 1 ATOM 21 C CB . ILE A 1 3 ? 4.972 -13.076 -7.978 1.00 96.10 3 A 1 ATOM 22 C CG1 . ILE A 1 3 ? 4.570 -14.562 -8.130 1.00 95.37 3 A 1 ATOM 23 C CG2 . ILE A 1 3 ? 5.768 -12.865 -6.674 1.00 95.11 3 A 1 ATOM 24 C CD1 . ILE A 1 3 ? 5.768 -15.503 -8.303 1.00 92.12 3 A 1 ATOM 25 N N . ASN A 1 4 ? 3.518 -10.078 -6.790 1.00 96.98 4 A 1 ATOM 26 C CA . ASN A 1 4 ? 3.899 -8.730 -6.390 1.00 96.87 4 A 1 ATOM 27 C C . ASN A 1 4 ? 5.083 -8.824 -5.418 1.00 96.86 4 A 1 ATOM 28 O O . ASN A 1 4 ? 4.933 -9.207 -4.257 1.00 96.64 4 A 1 ATOM 29 C CB . ASN A 1 4 ? 2.666 -8.005 -5.829 1.00 96.39 4 A 1 ATOM 30 C CG . ASN A 1 4 ? 2.978 -6.563 -5.479 1.00 95.93 4 A 1 ATOM 31 O OD1 . ASN A 1 4 ? 4.019 -6.259 -4.929 1.00 93.49 4 A 1 ATOM 32 N ND2 . ASN A 1 4 ? 2.101 -5.646 -5.786 1.00 92.77 4 A 1 ATOM 33 N N . THR A 1 5 ? 6.279 -8.514 -5.909 1.00 96.41 5 A 1 ATOM 34 C CA . THR A 1 5 ? 7.516 -8.642 -5.129 1.00 96.16 5 A 1 ATOM 35 C C . THR A 1 5 ? 7.552 -7.705 -3.927 1.00 96.13 5 A 1 ATOM 36 O O . THR A 1 5 ? 8.040 -8.115 -2.877 1.00 95.72 5 A 1 ATOM 37 C CB . THR A 1 5 ? 8.752 -8.411 -6.006 1.00 95.41 5 A 1 ATOM 38 O OG1 . THR A 1 5 ? 8.610 -7.242 -6.777 1.00 92.75 5 A 1 ATOM 39 C CG2 . THR A 1 5 ? 8.945 -9.569 -6.994 1.00 90.87 5 A 1 ATOM 40 N N . SER A 1 6 ? 6.956 -6.517 -4.034 1.00 96.34 6 A 1 ATOM 41 C CA . SER A 1 6 ? 6.894 -5.525 -2.954 1.00 96.04 6 A 1 ATOM 42 C C . SER A 1 6 ? 5.986 -5.995 -1.816 1.00 96.25 6 A 1 ATOM 43 O O . SER A 1 6 ? 6.348 -5.908 -0.642 1.00 95.63 6 A 1 ATOM 44 C CB . SER A 1 6 ? 6.430 -4.175 -3.525 1.00 95.48 6 A 1 ATOM 45 O OG . SER A 1 6 ? 7.244 -3.870 -4.645 1.00 90.52 6 A 1 ATOM 46 N N . ARG A 1 7 ? 4.848 -6.637 -2.133 1.00 96.54 7 A 1 ATOM 47 C CA . ARG A 1 7 ? 3.984 -7.289 -1.129 1.00 96.72 7 A 1 ATOM 48 C C . ARG A 1 7 ? 4.667 -8.480 -0.462 1.00 96.76 7 A 1 ATOM 49 O O . ARG A 1 7 ? 4.606 -8.627 0.761 1.00 96.41 7 A 1 ATOM 50 C CB . ARG A 1 7 ? 2.672 -7.751 -1.773 1.00 96.60 7 A 1 ATOM 51 C CG . ARG A 1 7 ? 1.730 -6.585 -2.095 1.00 95.94 7 A 1 ATOM 52 C CD . ARG A 1 7 ? 0.406 -7.131 -2.645 1.00 94.73 7 A 1 ATOM 53 N NE . ARG A 1 7 ? -0.594 -6.066 -2.792 1.00 92.77 7 A 1 ATOM 54 C CZ . ARG A 1 7 ? -1.689 -6.103 -3.526 1.00 90.51 7 A 1 ATOM 55 N NH1 . ARG A 1 7 ? -2.056 -7.149 -4.210 1.00 88.26 7 A 1 ATOM 56 N NH2 . ARG A 1 7 ? -2.445 -5.055 -3.595 1.00 86.96 7 A 1 ATOM 57 N N . VAL A 1 8 ? 5.333 -9.328 -1.252 1.00 96.95 8 A 1 ATOM 58 C CA . VAL A 1 8 ? 6.091 -10.480 -0.735 1.00 97.13 8 A 1 ATOM 59 C C . VAL A 1 8 ? 7.185 -10.023 0.230 1.00 97.10 8 A 1 ATOM 60 O O . VAL A 1 8 ? 7.319 -10.586 1.319 1.00 96.90 8 A 1 ATOM 61 C CB . VAL A 1 8 ? 6.671 -11.308 -1.900 1.00 97.08 8 A 1 ATOM 62 C CG1 . VAL A 1 8 ? 7.719 -12.337 -1.450 1.00 96.57 8 A 1 ATOM 63 C CG2 . VAL A 1 8 ? 5.556 -12.075 -2.624 1.00 96.37 8 A 1 ATOM 64 N N . GLU A 1 9 ? 7.935 -8.992 -0.136 1.00 96.53 9 A 1 ATOM 65 C CA . GLU A 1 9 ? 8.954 -8.383 0.719 1.00 96.17 9 A 1 ATOM 66 C C . GLU A 1 9 ? 8.348 -7.836 2.011 1.00 96.10 9 A 1 ATOM 67 O O . GLU A 1 9 ? 8.813 -8.194 3.099 1.00 95.62 9 A 1 ATOM 68 C CB . GLU A 1 9 ? 9.706 -7.306 -0.076 1.00 95.40 9 A 1 ATOM 69 C CG . GLU A 1 9 ? 10.570 -6.403 0.816 1.00 92.32 9 A 1 ATOM 70 C CD . GLU A 1 9 ? 11.624 -5.593 0.049 1.00 89.75 9 A 1 ATOM 71 O OE1 . GLU A 1 9 ? 12.577 -5.132 0.725 1.00 81.89 9 A 1 ATOM 72 O OE2 . GLU A 1 9 ? 11.523 -5.501 -1.191 1.00 82.68 9 A 1 ATOM 73 N N . MET A 1 10 ? 7.276 -7.050 1.920 1.00 95.99 10 A 1 ATOM 74 C CA . MET A 1 10 ? 6.614 -6.455 3.081 1.00 95.48 10 A 1 ATOM 75 C C . MET A 1 10 ? 6.173 -7.518 4.093 1.00 95.86 10 A 1 ATOM 76 O O . MET A 1 10 ? 6.459 -7.394 5.284 1.00 95.28 10 A 1 ATOM 77 C CB . MET A 1 10 ? 5.434 -5.598 2.604 1.00 94.22 10 A 1 ATOM 78 C CG . MET A 1 10 ? 4.801 -4.824 3.765 1.00 85.70 10 A 1 ATOM 79 S SD . MET A 1 10 ? 3.455 -3.718 3.290 1.00 82.18 10 A 1 ATOM 80 C CE . MET A 1 10 ? 4.381 -2.371 2.510 1.00 72.67 10 A 1 ATOM 81 N N . VAL A 1 11 ? 5.554 -8.607 3.633 1.00 96.20 11 A 1 ATOM 82 C CA . VAL A 1 11 ? 5.147 -9.727 4.499 1.00 96.38 11 A 1 ATOM 83 C C . VAL A 1 11 ? 6.354 -10.410 5.142 1.00 96.51 11 A 1 ATOM 84 O O . VAL A 1 11 ? 6.374 -10.640 6.355 1.00 96.29 11 A 1 ATOM 85 C CB . VAL A 1 11 ? 4.299 -10.737 3.704 1.00 96.34 11 A 1 ATOM 86 C CG1 . VAL A 1 11 ? 4.094 -12.060 4.454 1.00 95.18 11 A 1 ATOM 87 C CG2 . VAL A 1 11 ? 2.916 -10.148 3.427 1.00 95.20 11 A 1 ATOM 88 N N . LEU A 1 12 ? 7.386 -10.735 4.366 1.00 96.69 12 A 1 ATOM 89 C CA . LEU A 1 12 ? 8.572 -11.422 4.886 1.00 96.75 12 A 1 ATOM 90 C C . LEU A 1 12 ? 9.328 -10.569 5.908 1.00 96.72 12 A 1 ATOM 91 O O . LEU A 1 12 ? 9.847 -11.106 6.894 1.00 96.44 12 A 1 ATOM 92 C CB . LEU A 1 12 ? 9.490 -11.823 3.721 1.00 96.86 12 A 1 ATOM 93 C CG . LEU A 1 12 ? 8.964 -12.994 2.875 1.00 96.30 12 A 1 ATOM 94 C CD1 . LEU A 1 12 ? 9.865 -13.180 1.659 1.00 95.36 12 A 1 ATOM 95 C CD2 . LEU A 1 12 ? 8.955 -14.316 3.656 1.00 95.19 12 A 1 ATOM 96 N N . MET A 1 13 ? 9.357 -9.250 5.710 1.00 96.31 13 A 1 ATOM 97 C CA . MET A 1 13 ? 10.067 -8.294 6.558 1.00 95.97 13 A 1 ATOM 98 C C . MET A 1 13 ? 9.243 -7.827 7.763 1.00 95.79 13 A 1 ATOM 99 O O . MET A 1 13 ? 9.825 -7.329 8.736 1.00 94.67 13 A 1 ATOM 100 C CB . MET A 1 13 ? 10.557 -7.128 5.690 1.00 95.76 13 A 1 ATOM 101 C CG . MET A 1 13 ? 11.614 -7.586 4.671 1.00 94.45 13 A 1 ATOM 102 S SD . MET A 1 13 ? 13.108 -8.336 5.400 1.00 91.81 13 A 1 ATOM 103 C CE . MET A 1 13 ? 13.918 -6.838 6.021 1.00 83.20 13 A 1 ATOM 104 N N . ASN A 1 14 ? 7.918 -8.048 7.779 1.00 94.70 14 A 1 ATOM 105 C CA . ASN A 1 14 ? 7.051 -7.640 8.880 1.00 94.08 14 A 1 ATOM 106 C C . ASN A 1 14 ? 7.370 -8.416 10.172 1.00 94.08 14 A 1 ATOM 107 O O . ASN A 1 14 ? 7.114 -9.613 10.311 1.00 93.72 14 A 1 ATOM 108 C CB . ASN A 1 14 ? 5.571 -7.746 8.474 1.00 93.27 14 A 1 ATOM 109 C CG . ASN A 1 14 ? 4.659 -7.127 9.527 1.00 91.92 14 A 1 ATOM 110 O OD1 . ASN A 1 14 ? 5.070 -6.857 10.645 1.00 88.13 14 A 1 ATOM 111 N ND2 . ASN A 1 14 ? 3.416 -6.874 9.219 1.00 86.89 14 A 1 ATOM 112 N N . LYS A 1 15 ? 7.928 -7.706 11.163 1.00 92.73 15 A 1 ATOM 113 C CA . LYS A 1 15 ? 8.314 -8.271 12.464 1.00 92.19 15 A 1 ATOM 114 C C . LYS A 1 15 ? 7.137 -8.463 13.424 1.00 92.32 15 A 1 ATOM 115 O O . LYS A 1 15 ? 7.310 -9.189 14.400 1.00 90.29 15 A 1 ATOM 116 C CB . LYS A 1 15 ? 9.427 -7.427 13.103 1.00 91.94 15 A 1 ATOM 117 C CG . LYS A 1 15 ? 10.732 -7.483 12.294 1.00 91.26 15 A 1 ATOM 118 C CD . LYS A 1 15 ? 11.828 -6.642 12.966 1.00 87.56 15 A 1 ATOM 119 C CE . LYS A 1 15 ? 13.090 -6.666 12.094 1.00 84.16 15 A 1 ATOM 120 N NZ . LYS A 1 15 ? 14.151 -5.770 12.631 1.00 75.87 15 A 1 ATOM 121 N N . ALA A 1 16 ? 5.969 -7.879 13.148 1.00 93.05 16 A 1 ATOM 122 C CA . ALA A 1 16 ? 4.750 -8.126 13.924 1.00 91.75 16 A 1 ATOM 123 C C . ALA A 1 16 ? 4.275 -9.586 13.784 1.00 92.40 16 A 1 ATOM 124 O O . ALA A 1 16 ? 3.730 -10.168 14.721 1.00 90.53 16 A 1 ATOM 125 C CB . ALA A 1 16 ? 3.670 -7.136 13.467 1.00 90.82 16 A 1 ATOM 126 N N . ILE A 1 17 ? 4.574 -10.230 12.647 1.00 92.41 17 A 1 ATOM 127 C CA . ILE A 1 17 ? 4.354 -11.666 12.447 1.00 93.20 17 A 1 ATOM 128 C C . ILE A 1 17 ? 5.644 -12.406 12.817 1.00 94.38 17 A 1 ATOM 129 O O . ILE A 1 17 ? 6.707 -12.160 12.240 1.00 94.43 17 A 1 ATOM 130 C CB . ILE A 1 17 ? 3.915 -11.971 10.999 1.00 93.22 17 A 1 ATOM 131 C CG1 . ILE A 1 17 ? 2.730 -11.076 10.559 1.00 91.12 17 A 1 ATOM 132 C CG2 . ILE A 1 17 ? 3.536 -13.461 10.888 1.00 90.30 17 A 1 ATOM 133 C CD1 . ILE A 1 17 ? 2.398 -11.217 9.072 1.00 86.66 17 A 1 ATOM 134 N N . SER A 1 18 ? 5.576 -13.338 13.766 1.00 94.75 18 A 1 ATOM 135 C CA . SER A 1 18 ? 6.764 -14.109 14.149 1.00 95.28 18 A 1 ATOM 136 C C . SER A 1 18 ? 7.296 -14.945 12.974 1.00 95.69 18 A 1 ATOM 137 O O . SER A 1 18 ? 6.529 -15.487 12.175 1.00 95.46 18 A 1 ATOM 138 C CB . SER A 1 18 ? 6.511 -14.966 15.400 1.00 94.57 18 A 1 ATOM 139 O OG . SER A 1 18 ? 5.763 -16.128 15.117 1.00 90.84 18 A 1 ATOM 140 N N . ALA A 1 19 ? 8.620 -15.075 12.866 1.00 95.45 19 A 1 ATOM 141 C CA . ALA A 1 19 ? 9.238 -15.881 11.808 1.00 96.02 19 A 1 ATOM 142 C C . ALA A 1 19 ? 8.756 -17.339 11.851 1.00 96.57 19 A 1 ATOM 143 O O . ALA A 1 19 ? 8.500 -17.923 10.803 1.00 96.44 19 A 1 ATOM 144 C CB . ALA A 1 19 ? 10.764 -15.786 11.940 1.00 95.67 19 A 1 ATOM 145 N N . TYR A 1 20 ? 8.544 -17.883 13.057 1.00 96.08 20 A 1 ATOM 146 C CA . TYR A 1 20 ? 8.001 -19.223 13.264 1.00 96.21 20 A 1 ATOM 147 C C . TYR A 1 20 ? 6.584 -19.386 12.699 1.00 96.50 20 A 1 ATOM 148 O O . TYR A 1 20 ? 6.311 -20.339 11.970 1.00 96.37 20 A 1 ATOM 149 C CB . TYR A 1 20 ? 8.005 -19.538 14.766 1.00 96.35 20 A 1 ATOM 150 C CG . TYR A 1 20 ? 7.335 -20.858 15.098 1.00 94.89 20 A 1 ATOM 151 C CD1 . TYR A 1 20 ? 6.007 -20.887 15.577 1.00 91.99 20 A 1 ATOM 152 C CD2 . TYR A 1 20 ? 8.023 -22.068 14.879 1.00 92.74 20 A 1 ATOM 153 C CE1 . TYR A 1 20 ? 5.378 -22.118 15.842 1.00 90.69 20 A 1 ATOM 154 C CE2 . TYR A 1 20 ? 7.398 -23.299 15.139 1.00 91.27 20 A 1 ATOM 155 C CZ . TYR A 1 20 ? 6.072 -23.326 15.621 1.00 90.98 20 A 1 ATOM 156 O OH . TYR A 1 20 ? 5.463 -24.518 15.868 1.00 89.33 20 A 1 ATOM 157 N N . ARG A 1 21 ? 5.676 -18.445 13.012 1.00 96.23 21 A 1 ATOM 158 C CA . ARG A 1 21 ? 4.297 -18.487 12.505 1.00 95.76 21 A 1 ATOM 159 C C . ARG A 1 21 ? 4.282 -18.441 10.983 1.00 96.41 21 A 1 ATOM 160 O O . ARG A 1 21 ? 3.691 -19.318 10.356 1.00 95.95 21 A 1 ATOM 161 C CB . ARG A 1 21 ? 3.479 -17.340 13.126 1.00 94.80 21 A 1 ATOM 162 C CG . ARG A 1 21 ? 2.036 -17.347 12.600 1.00 90.20 21 A 1 ATOM 163 C CD . ARG A 1 21 ? 1.201 -16.219 13.202 1.00 86.72 21 A 1 ATOM 164 N NE . ARG A 1 21 ? -0.104 -16.185 12.537 1.00 79.04 21 A 1 ATOM 165 C CZ . ARG A 1 21 ? -1.044 -15.266 12.621 1.00 73.82 21 A 1 ATOM 166 N NH1 . ARG A 1 21 ? -0.962 -14.236 13.430 1.00 68.69 21 A 1 ATOM 167 N NH2 . ARG A 1 21 ? -2.094 -15.377 11.866 1.00 66.05 21 A 1 ATOM 168 N N . LEU A 1 22 ? 4.990 -17.482 10.398 1.00 95.47 22 A 1 ATOM 169 C CA . LEU A 1 22 ? 5.048 -17.300 8.950 1.00 95.18 22 A 1 ATOM 170 C C . LEU A 1 22 ? 5.667 -18.522 8.245 1.00 95.91 22 A 1 ATOM 171 O O . LEU A 1 22 ? 5.136 -19.006 7.250 1.00 95.72 22 A 1 ATOM 172 C CB . LEU A 1 22 ? 5.825 -15.997 8.676 1.00 94.11 22 A 1 ATOM 173 C CG . LEU A 1 22 ? 5.685 -15.481 7.239 1.00 90.21 22 A 1 ATOM 174 C CD1 . LEU A 1 22 ? 4.254 -15.049 6.922 1.00 86.88 22 A 1 ATOM 175 C CD2 . LEU A 1 22 ? 6.593 -14.267 7.041 1.00 86.77 22 A 1 ATOM 176 N N . ALA A 1 23 ? 6.748 -19.073 8.801 1.00 96.41 23 A 1 ATOM 177 C CA . ALA A 1 23 ? 7.387 -20.285 8.297 1.00 96.48 23 A 1 ATOM 178 C C . ALA A 1 23 ? 6.435 -21.488 8.278 1.00 96.56 23 A 1 ATOM 179 O O . ALA A 1 23 ? 6.377 -22.221 7.291 1.00 96.06 23 A 1 ATOM 180 C CB . ALA A 1 23 ? 8.610 -20.584 9.175 1.00 96.15 23 A 1 ATOM 181 N N . LYS A 1 24 ? 5.664 -21.665 9.352 1.00 96.99 24 A 1 ATOM 182 C CA . LYS A 1 24 ? 4.697 -22.758 9.484 1.00 96.74 24 A 1 ATOM 183 C C . LYS A 1 24 ? 3.527 -22.616 8.508 1.00 96.72 24 A 1 ATOM 184 O O . LYS A 1 24 ? 3.136 -23.610 7.904 1.00 96.04 24 A 1 ATOM 185 C CB . LYS A 1 24 ? 4.226 -22.820 10.941 1.00 96.35 24 A 1 ATOM 186 C CG . LYS A 1 24 ? 3.313 -24.023 11.194 1.00 86.43 24 A 1 ATOM 187 C CD . LYS A 1 24 ? 2.846 -24.041 12.652 1.00 82.87 24 A 1 ATOM 188 C CE . LYS A 1 24 ? 1.895 -25.222 12.861 1.00 75.46 24 A 1 ATOM 189 N NZ . LYS A 1 24 ? 1.320 -25.210 14.231 1.00 66.93 24 A 1 ATOM 190 N N . GLU A 1 25 ? 2.973 -21.411 8.367 1.00 96.36 25 A 1 ATOM 191 C CA . GLU A 1 25 ? 1.812 -21.159 7.503 1.00 96.00 25 A 1 ATOM 192 C C . GLU A 1 25 ? 2.173 -21.248 6.011 1.00 96.06 25 A 1 ATOM 193 O O . GLU A 1 25 ? 1.436 -21.850 5.234 1.00 94.97 25 A 1 ATOM 194 C CB . GLU A 1 25 ? 1.185 -19.796 7.858 1.00 95.70 25 A 1 ATOM 195 C CG . GLU A 1 25 ? 0.457 -19.820 9.224 1.00 93.40 25 A 1 ATOM 196 C CD . GLU A 1 25 ? -0.180 -18.469 9.628 1.00 91.42 25 A 1 ATOM 197 O OE1 . GLU A 1 25 ? -0.518 -18.299 10.830 1.00 83.53 25 A 1 ATOM 198 O OE2 . GLU A 1 25 ? -0.321 -17.584 8.765 1.00 83.50 25 A 1 ATOM 199 N N . ILE A 1 26 ? 3.347 -20.741 5.622 1.00 96.13 26 A 1 ATOM 200 C CA . ILE A 1 26 ? 3.803 -20.740 4.220 1.00 95.41 26 A 1 ATOM 201 C C . ILE A 1 26 ? 4.513 -22.052 3.835 1.00 95.27 26 A 1 ATOM 202 O O . ILE A 1 26 ? 4.584 -22.421 2.659 1.00 93.34 26 A 1 ATOM 203 C CB . ILE A 1 26 ? 4.674 -19.482 3.978 1.00 94.17 26 A 1 ATOM 204 C CG1 . ILE A 1 26 ? 3.843 -18.202 4.256 1.00 90.17 26 A 1 ATOM 205 C CG2 . ILE A 1 26 ? 5.240 -19.435 2.550 1.00 88.91 26 A 1 ATOM 206 C CD1 . ILE A 1 26 ? 4.654 -16.909 4.142 1.00 85.04 26 A 1 ATOM 207 N N . GLY A 1 27 ? 5.037 -22.798 4.815 1.00 96.20 27 A 1 ATOM 208 C CA . GLY A 1 27 ? 5.787 -24.035 4.575 1.00 95.63 27 A 1 ATOM 209 C C . GLY A 1 27 ? 7.219 -23.788 4.099 1.00 95.21 27 A 1 ATOM 210 O O . GLY A 1 27 ? 7.696 -24.460 3.179 1.00 92.98 27 A 1 ATOM 211 N N . ILE A 1 28 ? 7.909 -22.820 4.710 1.00 94.88 28 A 1 ATOM 212 C CA . ILE A 1 28 ? 9.330 -22.510 4.474 1.00 94.13 28 A 1 ATOM 213 C C . ILE A 1 28 ? 10.135 -22.629 5.774 1.00 95.07 28 A 1 ATOM 214 O O . ILE A 1 28 ? 9.575 -22.721 6.863 1.00 94.60 28 A 1 ATOM 215 C CB . ILE A 1 28 ? 9.508 -21.136 3.785 1.00 91.60 28 A 1 ATOM 216 C CG1 . ILE A 1 28 ? 9.071 -19.961 4.692 1.00 82.16 28 A 1 ATOM 217 C CG2 . ILE A 1 28 ? 8.773 -21.123 2.436 1.00 80.51 28 A 1 ATOM 218 C CD1 . ILE A 1 28 ? 9.309 -18.580 4.062 1.00 76.89 28 A 1 ATOM 219 N N . GLN A 1 29 ? 11.459 -22.632 5.684 1.00 93.98 29 A 1 ATOM 220 C CA . GLN A 1 29 ? 12.300 -22.700 6.879 1.00 94.20 29 A 1 ATOM 221 C C . GLN A 1 29 ? 12.302 -21.364 7.636 1.00 95.11 29 A 1 ATOM 222 O O . GLN A 1 29 ? 12.599 -20.320 7.061 1.00 94.66 29 A 1 ATOM 223 C CB . GLN A 1 29 ? 13.732 -23.107 6.513 1.00 92.79 29 A 1 ATOM 224 C CG . GLN A 1 29 ? 13.831 -24.547 5.984 1.00 86.61 29 A 1 ATOM 225 C CD . GLN A 1 29 ? 15.278 -24.973 5.720 1.00 80.72 29 A 1 ATOM 226 O OE1 . GLN A 1 29 ? 16.198 -24.178 5.631 1.00 72.91 29 A 1 ATOM 227 N NE2 . GLN A 1 29 ? 15.537 -26.254 5.580 1.00 69.31 29 A 1 ATOM 228 N N . GLU A 1 30 ? 12.068 -21.408 8.946 1.00 94.86 30 A 1 ATOM 229 C CA . GLU A 1 30 ? 12.135 -20.230 9.832 1.00 95.94 30 A 1 ATOM 230 C C . GLU A 1 30 ? 13.491 -19.512 9.737 1.00 96.24 30 A 1 ATOM 231 O O . GLU A 1 30 ? 13.559 -18.282 9.675 1.00 95.77 30 A 1 ATOM 232 C CB . GLU A 1 30 ? 11.879 -20.697 11.273 1.00 95.53 30 A 1 ATOM 233 C CG . GLU A 1 30 ? 11.812 -19.525 12.265 1.00 90.85 30 A 1 ATOM 234 C CD . GLU A 1 30 ? 11.693 -19.959 13.727 1.00 90.83 30 A 1 ATOM 235 O OE1 . GLU A 1 30 ? 11.904 -19.076 14.598 1.00 82.76 30 A 1 ATOM 236 O OE2 . GLU A 1 30 ? 11.411 -21.153 13.980 1.00 84.88 30 A 1 ATOM 237 N N . SER A 1 31 ? 14.578 -20.286 9.644 1.00 95.99 31 A 1 ATOM 238 C CA . SER A 1 31 ? 15.932 -19.746 9.487 1.00 95.81 31 A 1 ATOM 239 C C . SER A 1 31 ? 16.072 -18.873 8.239 1.00 95.96 31 A 1 ATOM 240 O O . SER A 1 31 ? 16.776 -17.867 8.284 1.00 95.47 31 A 1 ATOM 241 C CB . SER A 1 31 ? 16.951 -20.891 9.441 1.00 95.32 31 A 1 ATOM 242 O OG . SER A 1 31 ? 16.654 -21.792 8.391 1.00 88.42 31 A 1 ATOM 243 N N . SER A 1 32 ? 15.373 -19.191 7.151 1.00 95.19 32 A 1 ATOM 244 C CA . SER A 1 32 ? 15.395 -18.388 5.922 1.00 94.72 32 A 1 ATOM 245 C C . SER A 1 32 ? 14.780 -17.003 6.137 1.00 95.71 32 A 1 ATOM 246 O O . SER A 1 32 ? 15.371 -16.014 5.709 1.00 95.16 32 A 1 ATOM 247 C CB . SER A 1 32 ? 14.668 -19.110 4.779 1.00 93.22 32 A 1 ATOM 248 O OG . SER A 1 32 ? 15.342 -20.318 4.459 1.00 84.35 32 A 1 ATOM 249 N N . ILE A 1 33 ? 13.647 -16.927 6.856 1.00 95.51 33 A 1 ATOM 250 C CA . ILE A 1 33 ? 13.003 -15.653 7.216 1.00 96.15 33 A 1 ATOM 251 C C . ILE A 1 33 ? 13.906 -14.855 8.162 1.00 96.64 33 A 1 ATOM 252 O O . ILE A 1 33 ? 14.136 -13.666 7.957 1.00 96.66 33 A 1 ATOM 253 C CB . ILE A 1 33 ? 11.618 -15.895 7.860 1.00 96.07 33 A 1 ATOM 254 C CG1 . ILE A 1 33 ? 10.699 -16.704 6.918 1.00 95.18 33 A 1 ATOM 255 C CG2 . ILE A 1 33 ? 10.956 -14.550 8.225 1.00 95.14 33 A 1 ATOM 256 C CD1 . ILE A 1 33 ? 9.392 -17.146 7.579 1.00 92.55 33 A 1 ATOM 257 N N . SER A 1 34 ? 14.478 -15.516 9.171 1.00 96.43 34 A 1 ATOM 258 C CA . SER A 1 34 ? 15.383 -14.871 10.127 1.00 96.16 34 A 1 ATOM 259 C C . SER A 1 34 ? 16.641 -14.298 9.458 1.00 96.44 34 A 1 ATOM 260 O O . SER A 1 34 ? 17.089 -13.212 9.818 1.00 96.21 34 A 1 ATOM 261 C CB . SER A 1 34 ? 15.787 -15.873 11.212 1.00 95.61 34 A 1 ATOM 262 O OG . SER A 1 34 ? 14.643 -16.314 11.916 1.00 87.79 34 A 1 ATOM 263 N N . LEU A 1 35 ? 17.207 -14.995 8.475 1.00 96.19 35 A 1 ATOM 264 C CA . LEU A 1 35 ? 18.357 -14.507 7.704 1.00 96.24 35 A 1 ATOM 265 C C . LEU A 1 35 ? 18.001 -13.283 6.849 1.00 96.50 35 A 1 ATOM 266 O O . LEU A 1 35 ? 18.795 -12.344 6.807 1.00 96.12 35 A 1 ATOM 267 C CB . LEU A 1 35 ? 18.913 -15.645 6.828 1.00 96.16 35 A 1 ATOM 268 C CG . LEU A 1 35 ? 19.685 -16.732 7.601 1.00 94.41 35 A 1 ATOM 269 C CD1 . LEU A 1 35 ? 19.951 -17.924 6.676 1.00 91.68 35 A 1 ATOM 270 C CD2 . LEU A 1 35 ? 21.032 -16.233 8.123 1.00 91.86 35 A 1 ATOM 271 N N . LEU A 1 36 ? 16.805 -13.263 6.234 1.00 96.29 36 A 1 ATOM 272 C CA . LEU A 1 36 ? 16.299 -12.104 5.486 1.00 96.22 36 A 1 ATOM 273 C C . LEU A 1 36 ? 16.128 -10.889 6.403 1.00 96.66 36 A 1 ATOM 274 O O . LEU A 1 36 ? 16.727 -9.843 6.165 1.00 96.42 36 A 1 ATOM 275 C CB . LEU A 1 36 ? 14.964 -12.463 4.804 1.00 95.83 36 A 1 ATOM 276 C CG . LEU A 1 36 ? 15.090 -13.408 3.601 1.00 92.31 36 A 1 ATOM 277 C CD1 . LEU A 1 36 ? 13.715 -13.951 3.215 1.00 88.62 36 A 1 ATOM 278 C CD2 . LEU A 1 36 ? 15.685 -12.689 2.396 1.00 88.17 36 A 1 ATOM 279 N N . ARG A 1 37 ? 15.406 -11.050 7.519 1.00 96.69 37 A 1 ATOM 280 C CA . ARG A 1 37 ? 15.137 -9.960 8.482 1.00 96.54 37 A 1 ATOM 281 C C . ARG A 1 37 ? 16.391 -9.387 9.150 1.00 96.29 37 A 1 ATOM 282 O O . ARG A 1 37 ? 16.376 -8.246 9.606 1.00 95.56 37 A 1 ATOM 283 C CB . ARG A 1 37 ? 14.166 -10.471 9.556 1.00 96.40 37 A 1 ATOM 284 C CG . ARG A 1 37 ? 12.756 -10.688 8.991 1.00 96.31 37 A 1 ATOM 285 C CD . ARG A 1 37 ? 11.823 -11.224 10.078 1.00 95.76 37 A 1 ATOM 286 N NE . ARG A 1 37 ? 10.460 -11.382 9.547 1.00 95.45 37 A 1 ATOM 287 C CZ . ARG A 1 37 ? 9.377 -11.768 10.197 1.00 95.45 37 A 1 ATOM 288 N NH1 . ARG A 1 37 ? 9.384 -12.121 11.448 1.00 93.57 37 A 1 ATOM 289 N NH2 . ARG A 1 37 ? 8.239 -11.794 9.580 1.00 93.12 37 A 1 ATOM 290 N N . ASN A 1 38 ? 17.456 -10.187 9.210 1.00 96.45 38 A 1 ATOM 291 C CA . ASN A 1 38 ? 18.751 -9.778 9.757 1.00 96.08 38 A 1 ATOM 292 C C . ASN A 1 38 ? 19.735 -9.274 8.683 1.00 96.43 38 A 1 ATOM 293 O O . ASN A 1 38 ? 20.907 -9.074 9.000 1.00 94.99 38 A 1 ATOM 294 C CB . ASN A 1 38 ? 19.334 -10.946 10.575 1.00 95.28 38 A 1 ATOM 295 C CG . ASN A 1 38 ? 18.554 -11.236 11.845 1.00 91.26 38 A 1 ATOM 296 O OD1 . ASN A 1 38 ? 18.123 -10.354 12.565 1.00 82.38 38 A 1 ATOM 297 N ND2 . ASN A 1 38 ? 18.381 -12.485 12.196 1.00 81.43 38 A 1 ATOM 298 N N . GLY A 1 39 ? 19.298 -9.138 7.423 1.00 95.68 39 A 1 ATOM 299 C CA . GLY A 1 39 ? 20.146 -8.669 6.320 1.00 95.25 39 A 1 ATOM 300 C C . GLY A 1 39 ? 21.292 -9.619 5.947 1.00 95.93 39 A 1 ATOM 301 O O . GLY A 1 39 ? 22.259 -9.214 5.311 1.00 94.65 39 A 1 ATOM 302 N N . LYS A 1 40 ? 21.211 -10.898 6.371 1.00 95.60 40 A 1 ATOM 303 C CA . LYS A 1 40 ? 22.216 -11.929 6.040 1.00 95.80 40 A 1 ATOM 304 C C . LYS A 1 40 ? 21.896 -12.687 4.752 1.00 95.75 40 A 1 ATOM 305 O O . LYS A 1 40 ? 22.708 -13.495 4.292 1.00 94.11 40 A 1 ATOM 306 C CB . LYS A 1 40 ? 22.374 -12.913 7.206 1.00 95.90 40 A 1 ATOM 307 C CG . LYS A 1 40 ? 22.958 -12.244 8.455 1.00 93.36 40 A 1 ATOM 308 C CD . LYS A 1 40 ? 23.219 -13.295 9.543 1.00 86.85 40 A 1 ATOM 309 C CE . LYS A 1 40 ? 23.821 -12.597 10.762 1.00 83.10 40 A 1 ATOM 310 N NZ . LYS A 1 40 ? 24.144 -13.553 11.848 1.00 72.49 40 A 1 ATOM 311 N N . LYS A 1 41 ? 20.702 -12.471 4.208 1.00 95.93 41 A 1 ATOM 312 C CA . LYS A 1 41 ? 20.248 -12.986 2.920 1.00 95.00 41 A 1 ATOM 313 C C . LYS A 1 41 ? 19.483 -11.873 2.218 1.00 95.34 41 A 1 ATOM 314 O O . LYS A 1 41 ? 18.644 -11.235 2.846 1.00 94.29 41 A 1 ATOM 315 C CB . LYS A 1 41 ? 19.384 -14.236 3.149 1.00 93.38 41 A 1 ATOM 316 C CG . LYS A 1 41 ? 18.946 -14.885 1.828 1.00 87.93 41 A 1 ATOM 317 C CD . LYS A 1 41 ? 18.083 -16.130 2.074 1.00 84.81 41 A 1 ATOM 318 C CE . LYS A 1 41 ? 17.629 -16.684 0.719 1.00 77.94 41 A 1 ATOM 319 N NZ . LYS A 1 41 ? 16.678 -17.813 0.870 1.00 69.86 41 A 1 ATOM 320 N N . ASP A 1 42 ? 19.774 -11.685 0.936 1.00 94.63 42 A 1 ATOM 321 C CA . ASP A 1 42 ? 19.097 -10.683 0.116 1.00 94.38 42 A 1 ATOM 322 C C . ASP A 1 42 ? 17.769 -11.232 -0.430 1.00 94.06 42 A 1 ATOM 323 O O . ASP A 1 42 ? 17.622 -12.440 -0.654 1.00 92.38 42 A 1 ATOM 324 C CB . ASP A 1 42 ? 20.037 -10.222 -1.009 1.00 92.92 42 A 1 ATOM 325 C CG . ASP A 1 42 ? 21.441 -9.873 -0.499 1.00 87.88 42 A 1 ATOM 326 O OD1 . ASP A 1 42 ? 21.533 -9.074 0.452 1.00 81.86 42 A 1 ATOM 327 O OD2 . ASP A 1 42 ? 22.405 -10.521 -0.988 1.00 81.78 42 A 1 ATOM 328 N N . LEU A 1 43 ? 16.796 -10.338 -0.646 1.00 93.24 43 A 1 ATOM 329 C CA . LEU A 1 43 ? 15.461 -10.670 -1.162 1.00 92.46 43 A 1 ATOM 330 C C . LEU A 1 43 ? 15.495 -11.107 -2.632 1.00 92.66 43 A 1 ATOM 331 O O . LEU A 1 43 ? 14.723 -11.978 -3.032 1.00 91.09 43 A 1 ATOM 332 C CB . LEU A 1 43 ? 14.546 -9.451 -0.963 1.00 90.76 43 A 1 ATOM 333 C CG . LEU A 1 43 ? 14.071 -9.301 0.493 1.00 83.48 43 A 1 ATOM 334 C CD1 . LEU A 1 43 ? 13.739 -7.856 0.796 1.00 79.26 43 A 1 ATOM 335 C CD2 . LEU A 1 43 ? 12.826 -10.156 0.769 1.00 79.81 43 A 1 ATOM 336 N N . ASP A 1 44 ? 16.435 -10.580 -3.406 1.00 93.06 44 A 1 ATOM 337 C CA . ASP A 1 44 ? 16.674 -10.954 -4.810 1.00 92.86 44 A 1 ATOM 338 C C . ASP A 1 44 ? 17.127 -12.422 -4.975 1.00 93.01 44 A 1 ATOM 339 O O . ASP A 1 44 ? 16.986 -13.020 -6.042 1.00 90.58 44 A 1 ATOM 340 C CB . ASP A 1 44 ? 17.718 -9.987 -5.405 1.00 91.23 44 A 1 ATOM 341 C CG . ASP A 1 44 ? 19.133 -10.130 -4.819 1.00 85.73 44 A 1 ATOM 342 O OD1 . ASP A 1 44 ? 19.262 -10.687 -3.707 1.00 79.50 44 A 1 ATOM 343 O OD2 . ASP A 1 44 ? 20.100 -9.736 -5.504 1.00 79.55 44 A 1 ATOM 344 N N . LYS A 1 45 ? 17.608 -13.038 -3.891 1.00 92.66 45 A 1 ATOM 345 C CA . LYS A 1 45 ? 18.014 -14.453 -3.833 1.00 92.23 45 A 1 ATOM 346 C C . LYS A 1 45 ? 16.889 -15.382 -3.358 1.00 92.22 45 A 1 ATOM 347 O O . LYS A 1 45 ? 17.142 -16.559 -3.076 1.00 89.90 45 A 1 ATOM 348 C CB . LYS A 1 45 ? 19.279 -14.586 -2.975 1.00 91.32 45 A 1 ATOM 349 C CG . LYS A 1 45 ? 20.466 -13.853 -3.619 1.00 89.06 45 A 1 ATOM 350 C CD . LYS A 1 45 ? 21.673 -13.825 -2.677 1.00 83.14 45 A 1 ATOM 351 C CE . LYS A 1 45 ? 22.753 -12.958 -3.338 1.00 79.09 45 A 1 ATOM 352 N NZ . LYS A 1 45 ? 23.681 -12.367 -2.348 1.00 69.83 45 A 1 ATOM 353 N N . LEU A 1 46 ? 15.653 -14.875 -3.231 1.00 91.55 46 A 1 ATOM 354 C CA . LEU A 1 46 ? 14.496 -15.721 -2.967 1.00 91.23 46 A 1 ATOM 355 C C . LEU A 1 46 ? 14.234 -16.641 -4.162 1.00 92.49 46 A 1 ATOM 356 O O . LEU A 1 46 ? 14.253 -16.222 -5.314 1.00 91.90 46 A 1 ATOM 357 C CB . LEU A 1 46 ? 13.258 -14.871 -2.641 1.00 90.00 46 A 1 ATOM 358 C CG . LEU A 1 46 ? 13.258 -14.321 -1.208 1.00 84.24 46 A 1 ATOM 359 C CD1 . LEU A 1 46 ? 12.158 -13.275 -1.062 1.00 80.53 46 A 1 ATOM 360 C CD2 . LEU A 1 46 ? 12.984 -15.428 -0.185 1.00 80.60 46 A 1 ATOM 361 N N . SER A 1 47 ? 13.955 -17.913 -3.883 1.00 93.87 47 A 1 ATOM 362 C CA . SER A 1 47 ? 13.495 -18.805 -4.944 1.00 94.39 47 A 1 ATOM 363 C C . SER A 1 47 ? 12.091 -18.406 -5.384 1.00 95.23 47 A 1 ATOM 364 O O . SER A 1 47 ? 11.264 -18.016 -4.556 1.00 95.12 47 A 1 ATOM 365 C CB . SER A 1 47 ? 13.561 -20.277 -4.523 1.00 93.06 47 A 1 ATOM 366 O OG . SER A 1 47 ? 12.618 -20.590 -3.519 1.00 86.84 47 A 1 ATOM 367 N N . LEU A 1 48 ? 11.795 -18.580 -6.666 1.00 94.92 48 A 1 ATOM 368 C CA . LEU A 1 48 ? 10.456 -18.359 -7.215 1.00 95.90 48 A 1 ATOM 369 C C . LEU A 1 48 ? 9.391 -19.141 -6.431 1.00 96.34 48 A 1 ATOM 370 O O . LEU A 1 48 ? 8.324 -18.616 -6.155 1.00 96.42 48 A 1 ATOM 371 C CB . LEU A 1 48 ? 10.475 -18.755 -8.704 1.00 95.66 48 A 1 ATOM 372 C CG . LEU A 1 48 ? 9.124 -18.589 -9.421 1.00 91.91 48 A 1 ATOM 373 C CD1 . LEU A 1 48 ? 8.659 -17.133 -9.432 1.00 89.25 48 A 1 ATOM 374 C CD2 . LEU A 1 48 ? 9.246 -19.068 -10.866 1.00 89.38 48 A 1 ATOM 375 N N . GLU A 1 49 ? 9.703 -20.364 -6.003 1.00 95.74 49 A 1 ATOM 376 C CA . GLU A 1 49 ? 8.801 -21.190 -5.199 1.00 95.73 49 A 1 ATOM 377 C C . GLU A 1 49 ? 8.423 -20.519 -3.869 1.00 96.11 49 A 1 ATOM 378 O O . GLU A 1 49 ? 7.256 -20.532 -3.481 1.00 95.76 49 A 1 ATOM 379 C CB . GLU A 1 49 ? 9.471 -22.549 -4.948 1.00 94.98 49 A 1 ATOM 380 C CG . GLU A 1 49 ? 8.524 -23.530 -4.244 1.00 85.07 49 A 1 ATOM 381 C CD . GLU A 1 49 ? 9.174 -24.870 -3.890 1.00 80.36 49 A 1 ATOM 382 O OE1 . GLU A 1 49 ? 8.439 -25.694 -3.303 1.00 71.46 49 A 1 ATOM 383 O OE2 . GLU A 1 49 ? 10.390 -25.042 -4.122 1.00 72.37 49 A 1 ATOM 384 N N . VAL A 1 50 ? 9.381 -19.915 -3.172 1.00 95.65 50 A 1 ATOM 385 C CA . VAL A 1 50 ? 9.106 -19.184 -1.928 1.00 95.73 50 A 1 ATOM 386 C C . VAL A 1 50 ? 8.227 -17.973 -2.211 1.00 96.48 50 A 1 ATOM 387 O O . VAL A 1 50 ? 7.221 -17.805 -1.532 1.00 96.50 50 A 1 ATOM 388 C CB . VAL A 1 50 ? 10.403 -18.789 -1.201 1.00 94.98 50 A 1 ATOM 389 C CG1 . VAL A 1 50 ? 10.153 -17.844 -0.016 1.00 93.39 50 A 1 ATOM 390 C CG2 . VAL A 1 50 ? 11.106 -20.031 -0.644 1.00 93.38 50 A 1 ATOM 391 N N . ALA A 1 51 ? 8.550 -17.180 -3.235 1.00 96.26 51 A 1 ATOM 392 C CA . ALA A 1 51 ? 7.746 -16.020 -3.613 1.00 96.62 51 A 1 ATOM 393 C C . ALA A 1 51 ? 6.297 -16.414 -3.957 1.00 97.08 51 A 1 ATOM 394 O O . ALA A 1 51 ? 5.359 -15.787 -3.481 1.00 97.13 51 A 1 ATOM 395 C CB . ALA A 1 51 ? 8.445 -15.305 -4.777 1.00 96.42 51 A 1 ATOM 396 N N . MET A 1 52 ? 6.110 -17.513 -4.701 1.00 97.01 52 A 1 ATOM 397 C CA . MET A 1 52 ? 4.787 -18.057 -5.021 1.00 97.17 52 A 1 ATOM 398 C C . MET A 1 52 ? 4.002 -18.475 -3.776 1.00 97.23 52 A 1 ATOM 399 O O . MET A 1 52 ? 2.807 -18.217 -3.696 1.00 97.14 52 A 1 ATOM 400 C CB . MET A 1 52 ? 4.924 -19.269 -5.952 1.00 97.15 52 A 1 ATOM 401 C CG . MET A 1 52 ? 5.328 -18.886 -7.375 1.00 95.03 52 A 1 ATOM 402 S SD . MET A 1 52 ? 5.590 -20.301 -8.481 1.00 92.77 52 A 1 ATOM 403 C CE . MET A 1 52 ? 3.883 -20.890 -8.655 1.00 80.90 52 A 1 ATOM 404 N N . ARG A 1 53 ? 4.645 -19.118 -2.797 1.00 97.26 53 A 1 ATOM 405 C CA . ARG A 1 53 ? 3.991 -19.538 -1.549 1.00 97.09 53 A 1 ATOM 406 C C . ARG A 1 53 ? 3.575 -18.345 -0.692 1.00 97.26 53 A 1 ATOM 407 O O . ARG A 1 53 ? 2.479 -18.353 -0.151 1.00 96.79 53 A 1 ATOM 408 C CB . ARG A 1 53 ? 4.911 -20.468 -0.755 1.00 96.73 53 A 1 ATOM 409 C CG . ARG A 1 53 ? 5.059 -21.859 -1.385 1.00 94.81 53 A 1 ATOM 410 C CD . ARG A 1 53 ? 6.076 -22.640 -0.546 1.00 92.57 53 A 1 ATOM 411 N NE . ARG A 1 53 ? 6.391 -23.969 -1.093 1.00 88.01 53 A 1 ATOM 412 C CZ . ARG A 1 53 ? 6.842 -24.988 -0.383 1.00 84.65 53 A 1 ATOM 413 N NH1 . ARG A 1 53 ? 6.972 -24.921 0.911 1.00 78.22 53 A 1 ATOM 414 N NH2 . ARG A 1 53 ? 7.187 -26.098 -0.964 1.00 78.63 53 A 1 ATOM 415 N N . VAL A 1 54 ? 4.425 -17.320 -0.595 1.00 96.90 54 A 1 ATOM 416 C CA . VAL A 1 54 ? 4.092 -16.075 0.114 1.00 96.98 54 A 1 ATOM 417 C C . VAL A 1 54 ? 2.929 -15.370 -0.583 1.00 97.15 54 A 1 ATOM 418 O O . VAL A 1 54 ? 1.969 -15.004 0.086 1.00 97.03 54 A 1 ATOM 419 C CB . VAL A 1 54 ? 5.303 -15.134 0.233 1.00 96.77 54 A 1 ATOM 420 C CG1 . VAL A 1 54 ? 4.936 -13.849 0.986 1.00 95.73 54 A 1 ATOM 421 C CG2 . VAL A 1 54 ? 6.471 -15.770 0.989 1.00 95.67 54 A 1 ATOM 422 N N . GLN A 1 55 ? 2.968 -15.242 -1.915 1.00 97.51 55 A 1 ATOM 423 C CA . GLN A 1 55 ? 1.873 -14.633 -2.675 1.00 97.50 55 A 1 ATOM 424 C C . GLN A 1 55 ? 0.558 -15.395 -2.480 1.00 97.45 55 A 1 ATOM 425 O O . GLN A 1 55 ? -0.456 -14.782 -2.187 1.00 97.29 55 A 1 ATOM 426 C CB . GLN A 1 55 ? 2.245 -14.560 -4.159 1.00 97.26 55 A 1 ATOM 427 C CG . GLN A 1 55 ? 1.211 -13.763 -4.975 1.00 96.22 55 A 1 ATOM 428 C CD . GLN A 1 55 ? 1.176 -12.294 -4.585 1.00 96.65 55 A 1 ATOM 429 O OE1 . GLN A 1 55 ? 2.195 -11.617 -4.596 1.00 92.42 55 A 1 ATOM 430 N NE2 . GLN A 1 55 ? 0.041 -11.753 -4.215 1.00 92.16 55 A 1 ATOM 431 N N . ALA A 1 56 ? 0.573 -16.729 -2.548 1.00 97.50 56 A 1 ATOM 432 C CA . ALA A 1 56 ? -0.622 -17.542 -2.307 1.00 97.40 56 A 1 ATOM 433 C C . ALA A 1 56 ? -1.179 -17.368 -0.883 1.00 97.20 56 A 1 ATOM 434 O O . ALA A 1 56 ? -2.390 -17.412 -0.680 1.00 96.61 56 A 1 ATOM 435 C CB . ALA A 1 56 ? -0.271 -19.010 -2.583 1.00 97.36 56 A 1 ATOM 436 N N . TRP A 1 57 ? -0.312 -17.162 0.104 1.00 97.14 57 A 1 ATOM 437 C CA . TRP A 1 57 ? -0.717 -16.876 1.478 1.00 96.87 57 A 1 ATOM 438 C C . TRP A 1 57 ? -1.355 -15.486 1.621 1.00 96.69 57 A 1 ATOM 439 O O . TRP A 1 57 ? -2.348 -15.348 2.338 1.00 96.01 57 A 1 ATOM 440 C CB . TRP A 1 57 ? 0.503 -17.060 2.390 1.00 96.72 57 A 1 ATOM 441 C CG . TRP A 1 57 ? 0.238 -16.884 3.851 1.00 96.36 57 A 1 ATOM 442 C CD1 . TRP A 1 57 ? -0.206 -17.843 4.696 1.00 95.23 57 A 1 ATOM 443 C CD2 . TRP A 1 57 ? 0.390 -15.677 4.655 1.00 96.32 57 A 1 ATOM 444 N NE1 . TRP A 1 57 ? -0.326 -17.322 5.965 1.00 95.08 57 A 1 ATOM 445 C CE2 . TRP A 1 57 ? 0.028 -15.990 5.999 1.00 95.76 57 A 1 ATOM 446 C CE3 . TRP A 1 57 ? 0.807 -14.356 4.386 1.00 95.44 57 A 1 ATOM 447 C CZ2 . TRP A 1 57 ? 0.076 -15.039 7.031 1.00 94.53 57 A 1 ATOM 448 C CZ3 . TRP A 1 57 ? 0.853 -13.393 5.415 1.00 94.34 57 A 1 ATOM 449 C CH2 . TRP A 1 57 ? 0.489 -13.732 6.733 1.00 93.96 57 A 1 ATOM 450 N N . ILE A 1 58 ? -0.839 -14.481 0.896 1.00 96.49 58 A 1 ATOM 451 C CA . ILE A 1 58 ? -1.444 -13.143 0.785 1.00 96.11 58 A 1 ATOM 452 C C . ILE A 1 58 ? -2.807 -13.230 0.087 1.00 95.81 58 A 1 ATOM 453 O O . ILE A 1 58 ? -3.802 -12.759 0.628 1.00 95.24 58 A 1 ATOM 454 C CB . ILE A 1 58 ? -0.488 -12.182 0.035 1.00 96.10 58 A 1 ATOM 455 C CG1 . ILE A 1 58 ? 0.797 -11.914 0.855 1.00 95.77 58 A 1 ATOM 456 C CG2 . ILE A 1 58 ? -1.185 -10.848 -0.288 1.00 95.37 58 A 1 ATOM 457 C CD1 . ILE A 1 58 ? 1.945 -11.326 0.018 1.00 94.95 58 A 1 ATOM 458 N N . ASP A 1 59 ? -2.878 -13.890 -1.068 1.00 96.18 59 A 1 ATOM 459 C CA . ASP A 1 59 ? -4.101 -14.036 -1.868 1.00 95.71 59 A 1 ATOM 460 C C . ASP A 1 59 ? -5.212 -14.784 -1.106 1.00 95.38 59 A 1 ATOM 461 O O . ASP A 1 59 ? -6.398 -14.580 -1.357 1.00 94.54 59 A 1 ATOM 462 C CB . ASP A 1 59 ? -3.792 -14.798 -3.173 1.00 95.53 59 A 1 ATOM 463 C CG . ASP A 1 59 ? -2.827 -14.110 -4.145 1.00 95.05 59 A 1 ATOM 464 O OD1 . ASP A 1 59 ? -2.534 -12.905 -3.992 1.00 93.01 59 A 1 ATOM 465 O OD2 . ASP A 1 59 ? -2.348 -14.823 -5.063 1.00 92.95 59 A 1 ATOM 466 N N . ALA A 1 60 ? -4.842 -15.634 -0.145 1.00 96.00 60 A 1 ATOM 467 C CA . ALA A 1 60 ? -5.772 -16.308 0.760 1.00 95.79 60 A 1 ATOM 468 C C . ALA A 1 60 ? -6.335 -15.393 1.870 1.00 94.82 60 A 1 ATOM 469 O O . ALA A 1 60 ? -7.067 -15.877 2.736 1.00 93.13 60 A 1 ATOM 470 C CB . ALA A 1 60 ? -5.088 -17.563 1.320 1.00 96.22 60 A 1 ATOM 471 N N . GLY A 1 61 ? -5.990 -14.099 1.874 1.00 94.30 61 A 1 ATOM 472 C CA . GLY A 1 61 ? -6.498 -13.104 2.823 1.00 92.92 61 A 1 ATOM 473 C C . GLY A 1 61 ? -5.841 -13.152 4.203 1.00 92.89 61 A 1 ATOM 474 O O . GLY A 1 61 ? -6.431 -12.703 5.177 1.00 91.18 61 A 1 ATOM 475 N N . ASN A 1 62 ? -4.637 -13.722 4.317 1.00 93.96 62 A 1 ATOM 476 C CA . ASN A 1 62 ? -3.913 -13.791 5.595 1.00 93.61 62 A 1 ATOM 477 C C . ASN A 1 62 ? -3.151 -12.500 5.939 1.00 92.89 62 A 1 ATOM 478 O O . ASN A 1 62 ? -2.559 -12.416 7.018 1.00 90.84 62 A 1 ATOM 479 C CB . ASN A 1 62 ? -2.959 -14.990 5.583 1.00 94.18 62 A 1 ATOM 480 C CG . ASN A 1 62 ? -3.672 -16.319 5.504 1.00 94.14 62 A 1 ATOM 481 O OD1 . ASN A 1 62 ? -4.235 -16.813 6.467 1.00 88.61 62 A 1 ATOM 482 N ND2 . ASN A 1 62 ? -3.647 -16.958 4.363 1.00 89.00 62 A 1 ATOM 483 N N . TYR A 1 63 ? -3.110 -11.537 5.025 1.00 92.69 63 A 1 ATOM 484 C CA . TYR A 1 63 ? -2.458 -10.249 5.205 1.00 92.19 63 A 1 ATOM 485 C C . TYR A 1 63 ? -3.199 -9.177 4.403 1.00 91.66 63 A 1 ATOM 486 O O . TYR A 1 63 ? -3.489 -9.389 3.225 1.00 90.06 63 A 1 ATOM 487 C CB . TYR A 1 63 ? -0.993 -10.362 4.766 1.00 91.99 63 A 1 ATOM 488 C CG . TYR A 1 63 ? -0.128 -9.220 5.261 1.00 92.09 63 A 1 ATOM 489 C CD1 . TYR A 1 63 ? 0.012 -8.047 4.496 1.00 89.81 63 A 1 ATOM 490 C CD2 . TYR A 1 63 ? 0.517 -9.323 6.504 1.00 90.01 63 A 1 ATOM 491 C CE1 . TYR A 1 63 ? 0.800 -6.986 4.972 1.00 88.12 63 A 1 ATOM 492 C CE2 . TYR A 1 63 ? 1.307 -8.264 6.985 1.00 88.45 63 A 1 ATOM 493 C CZ . TYR A 1 63 ? 1.451 -7.093 6.217 1.00 88.68 63 A 1 ATOM 494 O OH . TYR A 1 63 ? 2.217 -6.068 6.670 1.00 86.80 63 A 1 ATOM 495 N N . SER A 1 64 ? -3.484 -8.047 5.040 1.00 91.57 64 A 1 ATOM 496 C CA . SER A 1 64 ? -4.042 -6.847 4.419 1.00 90.58 64 A 1 ATOM 497 C C . SER A 1 64 ? -2.943 -5.805 4.210 1.00 91.18 64 A 1 ATOM 498 O O . SER A 1 64 ? -1.957 -5.753 4.944 1.00 89.11 64 A 1 ATOM 499 C CB . SER A 1 64 ? -5.193 -6.278 5.259 1.00 87.86 64 A 1 ATOM 500 O OG . SER A 1 64 ? -4.856 -6.278 6.629 1.00 78.10 64 A 1 ATOM 501 N N . PHE A 1 65 ? -3.106 -5.003 3.173 1.00 91.64 65 A 1 ATOM 502 C CA . PHE A 1 65 ? -2.265 -3.845 2.895 1.00 91.97 65 A 1 ATOM 503 C C . PHE A 1 65 ? -3.138 -2.606 2.978 1.00 91.64 65 A 1 ATOM 504 O O . PHE A 1 65 ? -4.246 -2.607 2.439 1.00 89.70 65 A 1 ATOM 505 C CB . PHE A 1 65 ? -1.619 -3.955 1.513 1.00 92.23 65 A 1 ATOM 506 C CG . PHE A 1 65 ? -0.730 -5.166 1.340 1.00 93.40 65 A 1 ATOM 507 C CD1 . PHE A 1 65 ? 0.614 -5.115 1.743 1.00 91.77 65 A 1 ATOM 508 C CD2 . PHE A 1 65 ? -1.262 -6.359 0.816 1.00 92.71 65 A 1 ATOM 509 C CE1 . PHE A 1 65 ? 1.423 -6.258 1.636 1.00 91.84 65 A 1 ATOM 510 C CE2 . PHE A 1 65 ? -0.452 -7.502 0.713 1.00 92.23 65 A 1 ATOM 511 C CZ . PHE A 1 65 ? 0.889 -7.452 1.126 1.00 92.96 65 A 1 ATOM 512 N N . SER A 1 66 ? -2.620 -1.574 3.617 1.00 92.09 66 A 1 ATOM 513 C CA . SER A 1 66 ? -3.308 -0.307 3.817 1.00 92.29 66 A 1 ATOM 514 C C . SER A 1 66 ? -2.440 0.867 3.401 1.00 92.92 66 A 1 ATOM 515 O O . SER A 1 66 ? -1.218 0.769 3.256 1.00 92.47 66 A 1 ATOM 516 C CB . SER A 1 66 ? -3.740 -0.162 5.270 1.00 90.83 66 A 1 ATOM 517 O OG . SER A 1 66 ? -2.656 -0.424 6.142 1.00 88.51 66 A 1 ATOM 518 N N . TYR A 1 67 ? -3.111 1.987 3.193 1.00 92.72 67 A 1 ATOM 519 C CA . TYR A 1 67 ? -2.516 3.292 2.989 1.00 93.54 67 A 1 ATOM 520 C C . TYR A 1 67 ? -3.156 4.251 3.992 1.00 93.97 67 A 1 ATOM 521 O O . TYR A 1 67 ? -4.377 4.246 4.138 1.00 93.14 67 A 1 ATOM 522 C CB . TYR A 1 67 ? -2.742 3.716 1.543 1.00 93.57 67 A 1 ATOM 523 C CG . TYR A 1 67 ? -2.024 4.988 1.158 1.00 93.76 67 A 1 ATOM 524 C CD1 . TYR A 1 67 ? -2.638 6.238 1.373 1.00 92.04 67 A 1 ATOM 525 C CD2 . TYR A 1 67 ? -0.737 4.926 0.595 1.00 92.52 67 A 1 ATOM 526 C CE1 . TYR A 1 67 ? -1.965 7.423 1.021 1.00 90.34 67 A 1 ATOM 527 C CE2 . TYR A 1 67 ? -0.061 6.108 0.236 1.00 91.07 67 A 1 ATOM 528 C CZ . TYR A 1 67 ? -0.678 7.359 0.449 1.00 91.69 67 A 1 ATOM 529 O OH . TYR A 1 67 ? -0.034 8.506 0.102 1.00 90.72 67 A 1 ATOM 530 N N . ASP A 1 68 ? -2.353 5.038 4.685 1.00 93.75 68 A 1 ATOM 531 C CA . ASP A 1 68 ? -2.862 5.947 5.714 1.00 94.32 68 A 1 ATOM 532 C C . ASP A 1 68 ? -3.582 7.135 5.071 1.00 95.02 68 A 1 ATOM 533 O O . ASP A 1 68 ? -2.957 8.032 4.515 1.00 94.66 68 A 1 ATOM 534 C CB . ASP A 1 68 ? -1.723 6.378 6.644 1.00 93.18 68 A 1 ATOM 535 C CG . ASP A 1 68 ? -2.205 7.213 7.841 1.00 91.84 68 A 1 ATOM 536 O OD1 . ASP A 1 68 ? -3.428 7.447 7.967 1.00 89.67 68 A 1 ATOM 537 O OD2 . ASP A 1 68 ? -1.328 7.590 8.650 1.00 87.71 68 A 1 ATOM 538 N N . TYR A 1 69 ? -4.912 7.103 5.135 1.00 95.58 69 A 1 ATOM 539 C CA . TYR A 1 69 ? -5.816 8.157 4.688 1.00 96.53 69 A 1 ATOM 540 C C . TYR A 1 69 ? -6.461 8.920 5.847 1.00 96.65 69 A 1 ATOM 541 O O . TYR A 1 69 ? -7.341 9.739 5.599 1.00 95.94 69 A 1 ATOM 542 C CB . TYR A 1 69 ? -6.876 7.558 3.761 1.00 96.50 69 A 1 ATOM 543 C CG . TYR A 1 69 ? -6.426 7.356 2.332 1.00 96.88 69 A 1 ATOM 544 C CD1 . TYR A 1 69 ? -5.974 8.461 1.588 1.00 95.91 69 A 1 ATOM 545 C CD2 . TYR A 1 69 ? -6.512 6.091 1.729 1.00 96.21 69 A 1 ATOM 546 C CE1 . TYR A 1 69 ? -5.618 8.306 0.240 1.00 95.68 69 A 1 ATOM 547 C CE2 . TYR A 1 69 ? -6.158 5.934 0.377 1.00 95.72 69 A 1 ATOM 548 C CZ . TYR A 1 69 ? -5.714 7.043 -0.368 1.00 96.21 69 A 1 ATOM 549 O OH . TYR A 1 69 ? -5.388 6.907 -1.678 1.00 95.20 69 A 1 ATOM 550 N N . SER A 1 70 ? -6.050 8.674 7.091 1.00 95.84 70 A 1 ATOM 551 C CA . SER A 1 70 ? -6.747 9.171 8.281 1.00 95.32 70 A 1 ATOM 552 C C . SER A 1 70 ? -6.978 10.686 8.237 1.00 96.03 70 A 1 ATOM 553 O O . SER A 1 70 ? -8.093 11.141 8.460 1.00 96.02 70 A 1 ATOM 554 C CB . SER A 1 70 ? -5.966 8.804 9.547 1.00 94.03 70 A 1 ATOM 555 O OG . SER A 1 70 ? -5.718 7.411 9.597 1.00 88.90 70 A 1 ATOM 556 N N . GLU A 1 71 ? -5.957 11.464 7.871 1.00 95.23 71 A 1 ATOM 557 C CA . GLU A 1 71 ? -6.046 12.930 7.796 1.00 95.74 71 A 1 ATOM 558 C C . GLU A 1 71 ? -6.970 13.403 6.663 1.00 96.65 71 A 1 ATOM 559 O O . GLU A 1 71 ? -7.794 14.301 6.856 1.00 96.38 71 A 1 ATOM 560 C CB . GLU A 1 71 ? -4.625 13.497 7.635 1.00 95.22 71 A 1 ATOM 561 C CG . GLU A 1 71 ? -4.582 15.034 7.685 1.00 88.83 71 A 1 ATOM 562 C CD . GLU A 1 71 ? -3.161 15.627 7.618 1.00 85.32 71 A 1 ATOM 563 O OE1 . GLU A 1 71 ? -3.059 16.877 7.659 1.00 77.77 71 A 1 ATOM 564 O OE2 . GLU A 1 71 ? -2.177 14.858 7.559 1.00 77.76 71 A 1 ATOM 565 N N . LEU A 1 72 ? -6.877 12.793 5.478 1.00 96.48 72 A 1 ATOM 566 C CA . LEU A 1 72 ? -7.711 13.154 4.326 1.00 96.93 72 A 1 ATOM 567 C C . LEU A 1 72 ? -9.180 12.783 4.552 1.00 97.51 72 A 1 ATOM 568 O O . LEU A 1 72 ? -10.057 13.571 4.203 1.00 97.55 72 A 1 ATOM 569 C CB . LEU A 1 72 ? -7.172 12.483 3.049 1.00 96.76 72 A 1 ATOM 570 C CG . LEU A 1 72 ? -5.879 13.096 2.482 1.00 94.73 72 A 1 ATOM 571 C CD1 . LEU A 1 72 ? -5.380 12.246 1.310 1.00 91.48 72 A 1 ATOM 572 C CD2 . LEU A 1 72 ? -6.089 14.514 1.952 1.00 91.38 72 A 1 ATOM 573 N N . ILE A 1 73 ? -9.436 11.613 5.152 1.00 97.51 73 A 1 ATOM 574 C CA . ILE A 1 73 ? -10.785 11.163 5.506 1.00 97.44 73 A 1 ATOM 575 C C . ILE A 1 73 ? -11.393 12.107 6.542 1.00 97.66 73 A 1 ATOM 576 O O . ILE A 1 73 ? -12.453 12.666 6.284 1.00 97.73 73 A 1 ATOM 577 C CB . ILE A 1 73 ? -10.768 9.691 5.992 1.00 97.02 73 A 1 ATOM 578 C CG1 . ILE A 1 73 ? -10.470 8.748 4.803 1.00 96.48 73 A 1 ATOM 579 C CG2 . ILE A 1 73 ? -12.103 9.303 6.653 1.00 96.32 73 A 1 ATOM 580 C CD1 . ILE A 1 73 ? -10.145 7.308 5.225 1.00 95.37 73 A 1 ATOM 581 N N . GLU A 1 74 ? -10.709 12.350 7.667 1.00 97.22 74 A 1 ATOM 582 C CA . GLU A 1 74 ? -11.219 13.217 8.739 1.00 97.20 74 A 1 ATOM 583 C C . GLU A 1 74 ? -11.564 14.617 8.216 1.00 97.59 74 A 1 ATOM 584 O O . GLU A 1 74 ? -12.623 15.172 8.526 1.00 97.41 74 A 1 ATOM 585 C CB . GLU A 1 74 ? -10.173 13.297 9.872 1.00 96.49 74 A 1 ATOM 586 C CG . GLU A 1 74 ? -10.661 14.127 11.079 1.00 87.20 74 A 1 ATOM 587 C CD . GLU A 1 74 ? -9.651 14.234 12.239 1.00 85.82 74 A 1 ATOM 588 O OE1 . GLU A 1 74 ? -10.005 14.896 13.247 1.00 78.11 74 A 1 ATOM 589 O OE2 . GLU A 1 74 ? -8.537 13.680 12.151 1.00 79.18 74 A 1 ATOM 590 N N . LYS A 1 75 ? -10.702 15.181 7.374 1.00 97.79 75 A 1 ATOM 591 C CA . LYS A 1 75 ? -10.930 16.494 6.766 1.00 97.63 75 A 1 ATOM 592 C C . LYS A 1 75 ? -12.137 16.475 5.828 1.00 97.98 75 A 1 ATOM 593 O O . LYS A 1 75 ? -13.001 17.341 5.950 1.00 97.75 75 A 1 ATOM 594 C CB . LYS A 1 75 ? -9.643 16.941 6.065 1.00 96.88 75 A 1 ATOM 595 C CG . LYS A 1 75 ? -9.747 18.367 5.511 1.00 86.35 75 A 1 ATOM 596 C CD . LYS A 1 75 ? -8.463 18.724 4.752 1.00 85.32 75 A 1 ATOM 597 C CE . LYS A 1 75 ? -8.640 20.039 3.991 1.00 74.60 75 A 1 ATOM 598 N NZ . LYS A 1 75 ? -7.558 20.216 2.982 1.00 68.47 75 A 1 ATOM 599 N N . LEU A 1 76 ? -12.229 15.495 4.930 1.00 97.78 76 A 1 ATOM 600 C CA . LEU A 1 76 ? -13.324 15.405 3.963 1.00 97.91 76 A 1 ATOM 601 C C . LEU A 1 76 ? -14.671 15.149 4.652 1.00 98.03 76 A 1 ATOM 602 O O . LEU A 1 76 ? -15.658 15.794 4.309 1.00 98.08 76 A 1 ATOM 603 C CB . LEU A 1 76 ? -12.988 14.328 2.912 1.00 98.05 76 A 1 ATOM 604 C CG . LEU A 1 76 ? -14.040 14.190 1.791 1.00 97.51 76 A 1 ATOM 605 C CD1 . LEU A 1 76 ? -14.282 15.495 1.033 1.00 96.40 76 A 1 ATOM 606 C CD2 . LEU A 1 76 ? -13.573 13.149 0.770 1.00 96.62 76 A 1 ATOM 607 N N . GLU A 1 77 ? -14.720 14.267 5.653 1.00 97.97 77 A 1 ATOM 608 C CA . GLU A 1 77 ? -15.932 14.018 6.445 1.00 97.90 77 A 1 ATOM 609 C C . GLU A 1 77 ? -16.394 15.280 7.191 1.00 97.91 77 A 1 ATOM 610 O O . GLU A 1 77 ? -17.574 15.626 7.154 1.00 97.50 77 A 1 ATOM 611 C CB . GLU A 1 77 ? -15.681 12.902 7.464 1.00 97.63 77 A 1 ATOM 612 C CG . GLU A 1 77 ? -15.590 11.503 6.833 1.00 96.65 77 A 1 ATOM 613 C CD . GLU A 1 77 ? -15.458 10.411 7.911 1.00 96.04 77 A 1 ATOM 614 O OE1 . GLU A 1 77 ? -16.076 9.343 7.730 1.00 91.41 77 A 1 ATOM 615 O OE2 . GLU A 1 77 ? -14.801 10.676 8.948 1.00 92.08 77 A 1 ATOM 616 N N . ALA A 1 78 ? -15.458 16.011 7.809 1.00 98.28 78 A 1 ATOM 617 C CA . ALA A 1 78 ? -15.774 17.261 8.496 1.00 98.26 78 A 1 ATOM 618 C C . ALA A 1 78 ? -16.320 18.334 7.543 1.00 98.20 78 A 1 ATOM 619 O O . ALA A 1 78 ? -17.189 19.125 7.926 1.00 97.69 78 A 1 ATOM 620 C CB . ALA A 1 78 ? -14.513 17.755 9.216 1.00 98.10 78 A 1 ATOM 621 N N . ASP A 1 79 ? -15.830 18.385 6.309 1.00 97.94 79 A 1 ATOM 622 C CA . ASP A 1 79 ? -16.308 19.329 5.299 1.00 97.62 79 A 1 ATOM 623 C C . ASP A 1 79 ? -17.665 18.912 4.711 1.00 97.88 79 A 1 ATOM 624 O O . ASP A 1 79 ? -18.519 19.773 4.488 1.00 97.41 79 A 1 ATOM 625 C CB . ASP A 1 79 ? -15.225 19.524 4.234 1.00 96.91 79 A 1 ATOM 626 C CG . ASP A 1 79 ? -14.015 20.333 4.746 1.00 95.08 79 A 1 ATOM 627 O OD1 . ASP A 1 79 ? -14.160 21.080 5.752 1.00 91.98 79 A 1 ATOM 628 O OD2 . ASP A 1 79 ? -12.951 20.263 4.095 1.00 91.16 79 A 1 ATOM 629 N N . ILE A 1 80 ? -17.922 17.606 4.561 1.00 97.49 80 A 1 ATOM 630 C CA . ILE A 1 80 ? -19.248 17.068 4.220 1.00 97.55 80 A 1 ATOM 631 C C . ILE A 1 80 ? -20.263 17.427 5.311 1.00 97.73 80 A 1 ATOM 632 O O . ILE A 1 80 ? -21.341 17.941 5.003 1.00 97.48 80 A 1 ATOM 633 C CB . ILE A 1 80 ? -19.180 15.536 3.986 1.00 97.53 80 A 1 ATOM 634 C CG1 . ILE A 1 80 ? -18.402 15.215 2.688 1.00 97.18 80 A 1 ATOM 635 C CG2 . ILE A 1 80 ? -20.591 14.914 3.900 1.00 96.91 80 A 1 ATOM 636 C CD1 . ILE A 1 80 ? -17.962 13.743 2.582 1.00 96.01 80 A 1 ATOM 637 N N . GLU A 1 81 ? -19.929 17.219 6.597 1.00 97.73 81 A 1 ATOM 638 C CA . GLU A 1 81 ? -20.820 17.535 7.724 1.00 97.72 81 A 1 ATOM 639 C C . GLU A 1 81 ? -21.173 19.031 7.784 1.00 97.79 81 A 1 ATOM 640 O O . GLU A 1 81 ? -22.309 19.404 8.085 1.00 97.23 81 A 1 ATOM 641 C CB . GLU A 1 81 ? -20.169 17.072 9.038 1.00 97.32 81 A 1 ATOM 642 C CG . GLU A 1 81 ? -21.130 17.211 10.235 1.00 89.20 81 A 1 ATOM 643 C CD . GLU A 1 81 ? -20.546 16.776 11.593 1.00 84.90 81 A 1 ATOM 644 O OE1 . GLU A 1 81 ? -21.351 16.704 12.557 1.00 76.62 81 A 1 ATOM 645 O OE2 . GLU A 1 81 ? -19.322 16.568 11.694 1.00 78.34 81 A 1 ATOM 646 N N . LYS A 1 82 ? -20.223 19.901 7.451 1.00 98.03 82 A 1 ATOM 647 C CA . LYS A 1 82 ? -20.423 21.358 7.394 1.00 97.79 82 A 1 ATOM 648 C C . LYS A 1 82 ? -21.147 21.824 6.127 1.00 97.57 82 A 1 ATOM 649 O O . LYS A 1 82 ? -21.474 23.008 6.034 1.00 96.54 82 A 1 ATOM 650 C CB . LYS A 1 82 ? -19.066 22.055 7.524 1.00 97.52 82 A 1 ATOM 651 C CG . LYS A 1 82 ? -18.453 21.907 8.925 1.00 95.75 82 A 1 ATOM 652 C CD . LYS A 1 82 ? -16.990 22.343 8.857 1.00 94.04 82 A 1 ATOM 653 C CE . LYS A 1 82 ? -16.213 21.874 10.083 1.00 90.49 82 A 1 ATOM 654 N NZ . LYS A 1 82 ? -14.770 21.789 9.751 1.00 82.95 82 A 1 ATOM 655 N N . GLY A 1 83 ? -21.387 20.935 5.162 1.00 97.24 83 A 1 ATOM 656 C CA . GLY A 1 83 ? -21.974 21.285 3.868 1.00 96.71 83 A 1 ATOM 657 C C . GLY A 1 83 ? -21.040 22.107 2.972 1.00 96.29 83 A 1 ATOM 658 O O . GLY A 1 83 ? -21.523 22.890 2.160 1.00 94.12 83 A 1 ATOM 659 N N . LEU A 1 84 ? -19.727 21.967 3.158 1.00 96.04 84 A 1 ATOM 660 C CA . LEU A 1 84 ? -18.694 22.626 2.354 1.00 95.07 84 A 1 ATOM 661 C C . LEU A 1 84 ? -18.267 21.782 1.148 1.00 94.74 84 A 1 ATOM 662 O O . LEU A 1 84 ? -17.749 22.331 0.182 1.00 92.83 84 A 1 ATOM 663 C CB . LEU A 1 84 ? -17.470 22.933 3.236 1.00 94.70 84 A 1 ATOM 664 C CG . LEU A 1 84 ? -17.729 23.882 4.416 1.00 93.36 84 A 1 ATOM 665 C CD1 . LEU A 1 84 ? -16.461 24.008 5.262 1.00 90.29 84 A 1 ATOM 666 C CD2 . LEU A 1 84 ? -18.142 25.284 3.958 1.00 90.57 84 A 1 ATOM 667 N N . ALA A 1 85 ? -18.481 20.459 1.212 1.00 95.95 85 A 1 ATOM 668 C CA . ALA A 1 85 ? -18.186 19.558 0.108 1.00 95.66 85 A 1 ATOM 669 C C . ALA A 1 85 ? -19.411 19.404 -0.803 1.00 95.13 85 A 1 ATOM 670 O O . ALA A 1 85 ? -20.495 19.040 -0.348 1.00 92.54 85 A 1 ATOM 671 C CB . ALA A 1 85 ? -17.710 18.218 0.673 1.00 95.07 85 A 1 ATOM 672 N N . ASP A 1 86 ? -19.222 19.630 -2.097 1.00 95.74 86 A 1 ATOM 673 C CA . ASP A 1 86 ? -20.233 19.405 -3.127 1.00 95.74 86 A 1 ATOM 674 C C . ASP A 1 86 ? -20.367 17.911 -3.495 1.00 96.90 86 A 1 ATOM 675 O O . ASP A 1 86 ? -19.654 17.035 -2.997 1.00 96.47 86 A 1 ATOM 676 C CB . ASP A 1 86 ? -19.903 20.274 -4.359 1.00 93.81 86 A 1 ATOM 677 C CG . ASP A 1 86 ? -20.314 21.743 -4.212 1.00 90.01 86 A 1 ATOM 678 O OD1 . ASP A 1 86 ? -21.383 21.978 -3.600 1.00 86.25 86 A 1 ATOM 679 O OD2 . ASP A 1 86 ? -19.645 22.595 -4.832 1.00 85.05 86 A 1 ATOM 680 N N . GLU A 1 87 ? -21.286 17.597 -4.426 1.00 96.87 87 A 1 ATOM 681 C CA . GLU A 1 87 ? -21.467 16.235 -4.958 1.00 97.58 87 A 1 ATOM 682 C C . GLU A 1 87 ? -20.185 15.686 -5.618 1.00 98.09 87 A 1 ATOM 683 O O . GLU A 1 87 ? -19.955 14.475 -5.637 1.00 97.65 87 A 1 ATOM 684 C CB . GLU A 1 87 ? -22.641 16.249 -5.960 1.00 97.07 87 A 1 ATOM 685 C CG . GLU A 1 87 ? -23.054 14.841 -6.430 1.00 92.59 87 A 1 ATOM 686 C CD . GLU A 1 87 ? -24.181 14.823 -7.484 1.00 90.82 87 A 1 ATOM 687 O OE1 . GLU A 1 87 ? -24.468 13.713 -7.997 1.00 82.86 87 A 1 ATOM 688 O OE2 . GLU A 1 87 ? -24.734 15.895 -7.814 1.00 85.20 87 A 1 ATOM 689 N N . TYR A 1 88 ? -19.346 16.576 -6.145 1.00 98.00 88 A 1 ATOM 690 C CA . TYR A 1 88 ? -18.100 16.251 -6.837 1.00 97.94 88 A 1 ATOM 691 C C . TYR A 1 88 ? -16.914 17.005 -6.237 1.00 97.67 88 A 1 ATOM 692 O O . TYR A 1 88 ? -17.030 18.177 -5.904 1.00 96.82 88 A 1 ATOM 693 C CB . TYR A 1 88 ? -18.212 16.580 -8.331 1.00 97.85 88 A 1 ATOM 694 C CG . TYR A 1 88 ? -19.259 15.780 -9.085 1.00 97.62 88 A 1 ATOM 695 C CD1 . TYR A 1 88 ? -18.909 14.574 -9.721 1.00 95.85 88 A 1 ATOM 696 C CD2 . TYR A 1 88 ? -20.593 16.234 -9.125 1.00 96.18 88 A 1 ATOM 697 C CE1 . TYR A 1 88 ? -19.891 13.808 -10.377 1.00 95.22 88 A 1 ATOM 698 C CE2 . TYR A 1 88 ? -21.581 15.470 -9.771 1.00 95.53 88 A 1 ATOM 699 C CZ . TYR A 1 88 ? -21.234 14.249 -10.392 1.00 96.12 88 A 1 ATOM 700 O OH . TYR A 1 88 ? -22.198 13.492 -10.977 1.00 94.42 88 A 1 ATOM 701 N N . ILE A 1 89 ? -15.758 16.339 -6.213 1.00 98.22 89 A 1 ATOM 702 C CA . ILE A 1 89 ? -14.450 16.917 -5.889 1.00 98.22 89 A 1 ATOM 703 C C . ILE A 1 89 ? -13.440 16.586 -6.990 1.00 98.39 89 A 1 ATOM 704 O O . ILE A 1 89 ? -13.669 15.711 -7.831 1.00 98.27 89 A 1 ATOM 705 C CB . ILE A 1 89 ? -13.955 16.462 -4.496 1.00 97.82 89 A 1 ATOM 706 C CG1 . ILE A 1 89 ? -13.818 14.926 -4.401 1.00 96.59 89 A 1 ATOM 707 C CG2 . ILE A 1 89 ? -14.875 17.041 -3.408 1.00 95.86 89 A 1 ATOM 708 C CD1 . ILE A 1 89 ? -13.198 14.440 -3.086 1.00 95.99 89 A 1 ATOM 709 N N . TYR A 1 90 ? -12.307 17.273 -6.974 1.00 98.38 90 A 1 ATOM 710 C CA . TYR A 1 90 ? -11.186 17.082 -7.887 1.00 98.37 90 A 1 ATOM 711 C C . TYR A 1 90 ? -10.046 16.407 -7.130 1.00 98.27 90 A 1 ATOM 712 O O . TYR A 1 90 ? -9.381 17.049 -6.331 1.00 97.88 90 A 1 ATOM 713 C CB . TYR A 1 90 ? -10.768 18.432 -8.480 1.00 98.31 90 A 1 ATOM 714 C CG . TYR A 1 90 ? -11.845 19.089 -9.313 1.00 98.20 90 A 1 ATOM 715 C CD1 . TYR A 1 90 ? -11.885 18.884 -10.703 1.00 97.28 90 A 1 ATOM 716 C CD2 . TYR A 1 90 ? -12.828 19.891 -8.692 1.00 97.43 90 A 1 ATOM 717 C CE1 . TYR A 1 90 ? -12.898 19.477 -11.475 1.00 96.92 90 A 1 ATOM 718 C CE2 . TYR A 1 90 ? -13.847 20.478 -9.458 1.00 96.97 90 A 1 ATOM 719 C CZ . TYR A 1 90 ? -13.883 20.273 -10.853 1.00 97.13 90 A 1 ATOM 720 O OH . TYR A 1 90 ? -14.871 20.837 -11.597 1.00 95.80 90 A 1 ATOM 721 N N . ILE A 1 91 ? -9.839 15.111 -7.354 1.00 98.38 91 A 1 ATOM 722 C CA . ILE A 1 91 ? -8.790 14.345 -6.671 1.00 98.48 91 A 1 ATOM 723 C C . ILE A 1 91 ? -7.474 14.408 -7.442 1.00 98.49 91 A 1 ATOM 724 O O . ILE A 1 91 ? -7.464 14.343 -8.674 1.00 98.30 91 A 1 ATOM 725 C CB . ILE A 1 91 ? -9.210 12.888 -6.385 1.00 98.37 91 A 1 ATOM 726 C CG1 . ILE A 1 91 ? -9.500 12.084 -7.671 1.00 97.78 91 A 1 ATOM 727 C CG2 . ILE A 1 91 ? -10.411 12.875 -5.424 1.00 97.31 91 A 1 ATOM 728 C CD1 . ILE A 1 91 ? -9.618 10.574 -7.447 1.00 96.75 91 A 1 ATOM 729 N N . VAL A 1 92 ? -6.365 14.458 -6.716 1.00 98.22 92 A 1 ATOM 730 C CA . VAL A 1 92 ? -5.010 14.336 -7.259 1.00 98.19 92 A 1 ATOM 731 C C . VAL A 1 92 ? -4.457 12.976 -6.875 1.00 98.20 92 A 1 ATOM 732 O O . VAL A 1 92 ? -4.504 12.568 -5.715 1.00 97.90 92 A 1 ATOM 733 C CB . VAL A 1 92 ? -4.097 15.474 -6.777 1.00 97.79 92 A 1 ATOM 734 C CG1 . VAL A 1 92 ? -2.696 15.368 -7.401 1.00 96.33 92 A 1 ATOM 735 C CG2 . VAL A 1 92 ? -4.679 16.839 -7.158 1.00 96.53 92 A 1 ATOM 736 N N . ARG A 1 93 ? -3.936 12.255 -7.861 1.00 97.93 93 A 1 ATOM 737 C CA . ARG A 1 93 ? -3.295 10.955 -7.636 1.00 97.85 93 A 1 ATOM 738 C C . ARG A 1 93 ? -1.778 11.086 -7.683 1.00 97.67 93 A 1 ATOM 739 O O . ARG A 1 93 ? -1.217 11.701 -8.587 1.00 96.85 93 A 1 ATOM 740 C CB . ARG A 1 93 ? -3.815 9.906 -8.627 1.00 97.53 93 A 1 ATOM 741 C CG . ARG A 1 93 ? -5.299 9.582 -8.379 1.00 96.75 93 A 1 ATOM 742 C CD . ARG A 1 93 ? -5.768 8.446 -9.287 1.00 96.59 93 A 1 ATOM 743 N NE . ARG A 1 93 ? -7.190 8.125 -9.064 1.00 96.54 93 A 1 ATOM 744 C CZ . ARG A 1 93 ? -7.708 7.343 -8.122 1.00 97.06 93 A 1 ATOM 745 N NH1 . ARG A 1 93 ? -6.994 6.711 -7.242 1.00 94.20 93 A 1 ATOM 746 N NH2 . ARG A 1 93 ? -8.992 7.184 -8.044 1.00 95.01 93 A 1 ATOM 747 N N . GLY A 1 94 ? -1.124 10.455 -6.722 1.00 97.25 94 A 1 ATOM 748 C CA . GLY A 1 94 ? 0.327 10.351 -6.686 1.00 96.70 94 A 1 ATOM 749 C C . GLY A 1 94 ? 0.885 9.337 -7.684 1.00 97.23 94 A 1 ATOM 750 O O . GLY A 1 94 ? 0.192 8.792 -8.550 1.00 96.53 94 A 1 ATOM 751 N N . GLY A 1 95 ? 2.178 9.055 -7.553 1.00 96.12 95 A 1 ATOM 752 C CA . GLY A 1 95 ? 2.837 7.987 -8.305 1.00 96.14 95 A 1 ATOM 753 C C . GLY A 1 95 ? 2.241 6.608 -8.012 1.00 96.81 95 A 1 ATOM 754 O O . GLY A 1 95 ? 1.579 6.394 -6.998 1.00 95.71 95 A 1 ATOM 755 N N . TYR A 1 96 ? 2.510 5.644 -8.907 1.00 96.15 96 A 1 ATOM 756 C CA . TYR A 1 96 ? 2.051 4.269 -8.721 1.00 96.18 96 A 1 ATOM 757 C C . TYR A 1 96 ? 2.637 3.660 -7.442 1.00 95.97 96 A 1 ATOM 758 O O . TYR A 1 96 ? 3.858 3.572 -7.284 1.00 94.63 96 A 1 ATOM 759 C CB . TYR A 1 96 ? 2.410 3.433 -9.948 1.00 95.60 96 A 1 ATOM 760 C CG . TYR A 1 96 ? 1.847 2.025 -9.910 1.00 95.62 96 A 1 ATOM 761 C CD1 . TYR A 1 96 ? 2.674 0.934 -9.569 1.00 93.97 96 A 1 ATOM 762 C CD2 . TYR A 1 96 ? 0.491 1.807 -10.213 1.00 94.38 96 A 1 ATOM 763 C CE1 . TYR A 1 96 ? 2.149 -0.370 -9.555 1.00 93.04 96 A 1 ATOM 764 C CE2 . TYR A 1 96 ? -0.038 0.502 -10.200 1.00 93.14 96 A 1 ATOM 765 C CZ . TYR A 1 96 ? 0.792 -0.590 -9.878 1.00 93.65 96 A 1 ATOM 766 O OH . TYR A 1 96 ? 0.290 -1.853 -9.884 1.00 91.67 96 A 1 ATOM 767 N N . ASN A 1 97 ? 1.765 3.221 -6.536 1.00 96.12 97 A 1 ATOM 768 C CA . ASN A 1 97 ? 2.131 2.507 -5.324 1.00 95.72 97 A 1 ATOM 769 C C . ASN A 1 97 ? 2.134 0.998 -5.612 1.00 95.47 97 A 1 ATOM 770 O O . ASN A 1 97 ? 1.086 0.392 -5.834 1.00 94.53 97 A 1 ATOM 771 C CB . ASN A 1 97 ? 1.173 2.924 -4.198 1.00 95.28 97 A 1 ATOM 772 C CG . ASN A 1 97 ? 1.557 2.320 -2.862 1.00 95.00 97 A 1 ATOM 773 O OD1 . ASN A 1 97 ? 1.820 1.138 -2.737 1.00 90.94 97 A 1 ATOM 774 N ND2 . ASN A 1 97 ? 1.619 3.115 -1.821 1.00 90.05 97 A 1 ATOM 775 N N . GLU A 1 98 ? 3.315 0.385 -5.593 1.00 94.46 98 A 1 ATOM 776 C CA . GLU A 1 98 ? 3.493 -1.035 -5.922 1.00 93.84 98 A 1 ATOM 777 C C . GLU A 1 98 ? 2.801 -1.974 -4.925 1.00 93.92 98 A 1 ATOM 778 O O . GLU A 1 98 ? 2.359 -3.059 -5.298 1.00 92.30 98 A 1 ATOM 779 C CB . GLU A 1 98 ? 4.986 -1.381 -5.952 1.00 93.23 98 A 1 ATOM 780 C CG . GLU A 1 98 ? 5.771 -0.643 -7.047 1.00 87.63 98 A 1 ATOM 781 C CD . GLU A 1 98 ? 7.239 -1.092 -7.121 1.00 83.03 98 A 1 ATOM 782 O OE1 . GLU A 1 98 ? 7.878 -0.781 -8.155 1.00 74.44 98 A 1 ATOM 783 O OE2 . GLU A 1 98 ? 7.706 -1.756 -6.165 1.00 74.31 98 A 1 ATOM 784 N N . VAL A 1 99 ? 2.685 -1.568 -3.658 1.00 94.04 99 A 1 ATOM 785 C CA . VAL A 1 99 ? 2.029 -2.366 -2.615 1.00 93.66 99 A 1 ATOM 786 C C . VAL A 1 99 ? 0.516 -2.334 -2.793 1.00 94.34 99 A 1 ATOM 787 O O . VAL A 1 99 ? -0.130 -3.376 -2.746 1.00 93.47 99 A 1 ATOM 788 C CB . VAL A 1 99 ? 2.433 -1.874 -1.213 1.00 92.84 99 A 1 ATOM 789 C CG1 . VAL A 1 99 ? 1.700 -2.645 -0.107 1.00 90.48 99 A 1 ATOM 790 C CG2 . VAL A 1 99 ? 3.943 -2.025 -0.994 1.00 90.58 99 A 1 ATOM 791 N N . MET A 1 100 ? -0.050 -1.151 -3.049 1.00 94.45 100 A 1 ATOM 792 C CA . MET A 1 100 ? -1.490 -0.981 -3.256 1.00 94.72 100 A 1 ATOM 793 C C . MET A 1 100 ? -1.931 -1.305 -4.693 1.00 94.77 100 A 1 ATOM 794 O O . MET A 1 100 ? -3.122 -1.428 -4.952 1.00 93.71 100 A 1 ATOM 795 C CB . MET A 1 100 ? -1.900 0.438 -2.839 1.00 94.48 100 A 1 ATOM 796 C CG . MET A 1 100 ? -1.587 0.734 -1.366 1.00 93.64 100 A 1 ATOM 797 S SD . MET A 1 100 ? -2.293 -0.419 -0.154 1.00 92.97 100 A 1 ATOM 798 C CE . MET A 1 100 ? -4.051 0.034 -0.267 1.00 87.79 100 A 1 ATOM 799 N N . GLU A 1 101 ? -0.984 -1.483 -5.614 1.00 94.04 101 A 1 ATOM 800 C CA . GLU A 1 101 ? -1.197 -1.763 -7.044 1.00 94.20 101 A 1 ATOM 801 C C . GLU A 1 101 ? -2.046 -0.704 -7.769 1.00 95.09 101 A 1 ATOM 802 O O . GLU A 1 101 ? -2.744 -0.996 -8.739 1.00 93.86 101 A 1 ATOM 803 C CB . GLU A 1 101 ? -1.686 -3.206 -7.276 1.00 92.94 101 A 1 ATOM 804 C CG . GLU A 1 101 ? -0.655 -4.240 -6.823 1.00 91.23 101 A 1 ATOM 805 C CD . GLU A 1 101 ? -1.102 -5.690 -7.029 1.00 88.98 101 A 1 ATOM 806 O OE1 . GLU A 1 101 ? -0.224 -6.541 -7.309 1.00 82.55 101 A 1 ATOM 807 O OE2 . GLU A 1 101 ? -2.287 -6.001 -6.767 1.00 83.15 101 A 1 ATOM 808 N N . LYS A 1 102 ? -1.973 0.551 -7.306 1.00 95.23 102 A 1 ATOM 809 C CA . LYS A 1 102 ? -2.667 1.687 -7.908 1.00 95.78 102 A 1 ATOM 810 C C . LYS A 1 102 ? -1.999 3.019 -7.565 1.00 96.78 102 A 1 ATOM 811 O O . LYS A 1 102 ? -1.124 3.081 -6.708 1.00 96.61 102 A 1 ATOM 812 C CB . LYS A 1 102 ? -4.152 1.662 -7.515 1.00 94.28 102 A 1 ATOM 813 C CG . LYS A 1 102 ? -4.431 1.876 -6.024 1.00 93.33 102 A 1 ATOM 814 C CD . LYS A 1 102 ? -5.947 1.796 -5.790 1.00 92.54 102 A 1 ATOM 815 C CE . LYS A 1 102 ? -6.295 2.158 -4.362 1.00 87.85 102 A 1 ATOM 816 N NZ . LYS A 1 102 ? -7.764 2.256 -4.172 1.00 84.29 102 A 1 ATOM 817 N N . CYS A 1 103 ? -2.433 4.079 -8.241 1.00 97.24 103 A 1 ATOM 818 C CA . CYS A 1 103 ? -2.087 5.446 -7.869 1.00 97.72 103 A 1 ATOM 819 C C . CYS A 1 103 ? -3.027 5.902 -6.747 1.00 97.89 103 A 1 ATOM 820 O O . CYS A 1 103 ? -4.244 5.952 -6.951 1.00 97.41 103 A 1 ATOM 821 C CB . CYS A 1 103 ? -2.191 6.353 -9.099 1.00 97.59 103 A 1 ATOM 822 S SG . CYS A 1 103 ? -1.033 5.814 -10.391 1.00 96.58 103 A 1 ATOM 823 N N . MET A 1 104 ? -2.476 6.205 -5.576 1.00 97.47 104 A 1 ATOM 824 C CA . MET A 1 104 ? -3.243 6.604 -4.394 1.00 97.60 104 A 1 ATOM 825 C C . MET A 1 104 ? -3.704 8.057 -4.521 1.00 97.94 104 A 1 ATOM 826 O O . MET A 1 104 ? -2.997 8.867 -5.123 1.00 97.47 104 A 1 ATOM 827 C CB . MET A 1 104 ? -2.400 6.404 -3.125 1.00 96.88 104 A 1 ATOM 828 C CG . MET A 1 104 ? -1.838 4.984 -2.985 1.00 95.52 104 A 1 ATOM 829 S SD . MET A 1 104 ? -3.024 3.624 -3.156 1.00 93.92 104 A 1 ATOM 830 C CE . MET A 1 104 ? -4.016 3.878 -1.663 1.00 86.94 104 A 1 ATOM 831 N N . ILE A 1 105 ? -4.865 8.387 -3.951 1.00 97.62 105 A 1 ATOM 832 C CA . ILE A 1 105 ? -5.290 9.780 -3.784 1.00 97.84 105 A 1 ATOM 833 C C . ILE A 1 105 ? -4.325 10.438 -2.795 1.00 97.42 105 A 1 ATOM 834 O O . ILE A 1 105 ? -4.083 9.895 -1.727 1.00 96.74 105 A 1 ATOM 835 C CB . ILE A 1 105 ? -6.763 9.868 -3.317 1.00 98.05 105 A 1 ATOM 836 C CG1 . ILE A 1 105 ? -7.706 9.194 -4.342 1.00 97.79 105 A 1 ATOM 837 C CG2 . ILE A 1 105 ? -7.166 11.338 -3.099 1.00 97.73 105 A 1 ATOM 838 C CD1 . ILE A 1 105 ? -9.144 8.993 -3.847 1.00 97.27 105 A 1 ATOM 839 N N . ILE A 1 106 ? -3.738 11.570 -3.165 1.00 97.66 106 A 1 ATOM 840 C CA . ILE A 1 106 ? -2.781 12.285 -2.305 1.00 97.14 106 A 1 ATOM 841 C C . ILE A 1 106 ? -3.282 13.663 -1.889 1.00 96.86 106 A 1 ATOM 842 O O . ILE A 1 106 ? -2.804 14.200 -0.905 1.00 95.92 106 A 1 ATOM 843 C CB . ILE A 1 106 ? -1.385 12.376 -2.957 1.00 96.83 106 A 1 ATOM 844 C CG1 . ILE A 1 106 ? -1.416 13.074 -4.335 1.00 96.15 106 A 1 ATOM 845 C CG2 . ILE A 1 106 ? -0.761 10.965 -3.050 1.00 95.26 106 A 1 ATOM 846 C CD1 . ILE A 1 106 ? -0.038 13.520 -4.823 1.00 94.18 106 A 1 ATOM 847 N N . ASP A 1 107 ? -4.244 14.206 -2.629 1.00 97.24 107 A 1 ATOM 848 C CA . ASP A 1 107 ? -4.883 15.485 -2.333 1.00 97.22 107 A 1 ATOM 849 C C . ASP A 1 107 ? -6.244 15.583 -3.040 1.00 97.75 107 A 1 ATOM 850 O O . ASP A 1 107 ? -6.558 14.770 -3.921 1.00 97.47 107 A 1 ATOM 851 C CB . ASP A 1 107 ? -3.958 16.646 -2.748 1.00 96.28 107 A 1 ATOM 852 C CG . ASP A 1 107 ? -4.193 17.924 -1.930 1.00 93.59 107 A 1 ATOM 853 O OD1 . ASP A 1 107 ? -5.136 17.928 -1.104 1.00 90.33 107 A 1 ATOM 854 O OD2 . ASP A 1 107 ? -3.402 18.875 -2.098 1.00 88.01 107 A 1 ATOM 855 N N . TYR A 1 108 ? -7.055 16.579 -2.651 1.00 97.44 108 A 1 ATOM 856 C CA . TYR A 1 108 ? -8.293 16.921 -3.339 1.00 97.48 108 A 1 ATOM 857 C C . TYR A 1 108 ? -8.609 18.416 -3.226 1.00 97.38 108 A 1 ATOM 858 O O . TYR A 1 108 ? -8.243 19.082 -2.261 1.00 96.85 108 A 1 ATOM 859 C CB . TYR A 1 108 ? -9.460 16.058 -2.825 1.00 97.27 108 A 1 ATOM 860 C CG . TYR A 1 108 ? -9.824 16.294 -1.373 1.00 97.16 108 A 1 ATOM 861 C CD1 . TYR A 1 108 ? -9.297 15.457 -0.371 1.00 95.48 108 A 1 ATOM 862 C CD2 . TYR A 1 108 ? -10.673 17.359 -1.012 1.00 95.55 108 A 1 ATOM 863 C CE1 . TYR A 1 108 ? -9.600 15.688 0.981 1.00 94.67 108 A 1 ATOM 864 C CE2 . TYR A 1 108 ? -10.973 17.601 0.341 1.00 94.90 108 A 1 ATOM 865 C CZ . TYR A 1 108 ? -10.432 16.768 1.338 1.00 95.27 108 A 1 ATOM 866 O OH . TYR A 1 108 ? -10.706 17.014 2.648 1.00 93.56 108 A 1 ATOM 867 N N . TYR A 1 109 ? -9.380 18.904 -4.204 1.00 97.33 109 A 1 ATOM 868 C CA . TYR A 1 109 ? -9.848 20.283 -4.299 1.00 97.26 109 A 1 ATOM 869 C C . TYR A 1 109 ? -11.367 20.312 -4.502 1.00 97.35 109 A 1 ATOM 870 O O . TYR A 1 109 ? -11.939 19.407 -5.110 1.00 96.87 109 A 1 ATOM 871 C CB . TYR A 1 109 ? -9.129 20.989 -5.456 1.00 97.11 109 A 1 ATOM 872 C CG . TYR A 1 109 ? -7.615 20.997 -5.339 1.00 97.14 109 A 1 ATOM 873 C CD1 . TYR A 1 109 ? -6.979 22.014 -4.607 1.00 95.51 109 A 1 ATOM 874 C CD2 . TYR A 1 109 ? -6.839 19.986 -5.940 1.00 95.84 109 A 1 ATOM 875 C CE1 . TYR A 1 109 ? -5.577 22.026 -4.472 1.00 95.18 109 A 1 ATOM 876 C CE2 . TYR A 1 109 ? -5.436 19.989 -5.802 1.00 95.48 109 A 1 ATOM 877 C CZ . TYR A 1 109 ? -4.804 21.012 -5.066 1.00 96.07 109 A 1 ATOM 878 O OH . TYR A 1 109 ? -3.451 21.026 -4.922 1.00 94.82 109 A 1 ATOM 879 N N . TYR A 1 110 ? -12.023 21.374 -4.035 1.00 96.51 110 A 1 ATOM 880 C CA . TYR A 1 110 ? -13.458 21.587 -4.256 1.00 96.23 110 A 1 ATOM 881 C C . TYR A 1 110 ? -13.727 22.352 -5.552 1.00 96.16 110 A 1 ATOM 882 O O . TYR A 1 110 ? -14.666 22.029 -6.280 1.00 94.80 110 A 1 ATOM 883 C CB . TYR A 1 110 ? -14.057 22.302 -3.037 1.00 95.56 110 A 1 ATOM 884 C CG . TYR A 1 110 ? -13.941 21.491 -1.759 1.00 95.36 110 A 1 ATOM 885 C CD1 . TYR A 1 110 ? -14.597 20.248 -1.674 1.00 92.82 110 A 1 ATOM 886 C CD2 . TYR A 1 110 ? -13.170 21.951 -0.674 1.00 93.49 110 A 1 ATOM 887 C CE1 . TYR A 1 110 ? -14.478 19.462 -0.511 1.00 91.88 110 A 1 ATOM 888 C CE2 . TYR A 1 110 ? -13.053 21.171 0.492 1.00 91.89 110 A 1 ATOM 889 C CZ . TYR A 1 110 ? -13.708 19.923 0.572 1.00 92.65 110 A 1 ATOM 890 O OH . TYR A 1 110 ? -13.605 19.155 1.688 1.00 90.12 110 A 1 ATOM 891 N N . ASP A 1 111 ? -12.865 23.311 -5.880 1.00 96.27 111 A 1 ATOM 892 C CA . ASP A 1 111 ? -12.977 24.134 -7.079 1.00 96.36 111 A 1 ATOM 893 C C . ASP A 1 111 ? -11.797 23.870 -8.036 1.00 96.93 111 A 1 ATOM 894 O O . ASP A 1 111 ? -10.647 23.783 -7.598 1.00 96.47 111 A 1 ATOM 895 C CB . ASP A 1 111 ? -13.092 25.617 -6.675 1.00 95.17 111 A 1 ATOM 896 C CG . ASP A 1 111 ? -13.635 26.472 -7.823 1.00 90.50 111 A 1 ATOM 897 O OD1 . ASP A 1 111 ? -12.978 26.496 -8.888 1.00 86.12 111 A 1 ATOM 898 O OD2 . ASP A 1 111 ? -14.753 27.016 -7.677 1.00 85.25 111 A 1 ATOM 899 N N . PRO A 1 112 ? -12.031 23.748 -9.359 1.00 96.84 112 A 1 ATOM 900 C CA . PRO A 1 112 ? -10.949 23.630 -10.331 1.00 96.99 112 A 1 ATOM 901 C C . PRO A 1 112 ? -9.988 24.830 -10.349 1.00 97.33 112 A 1 ATOM 902 O O . PRO A 1 112 ? -8.852 24.673 -10.782 1.00 96.49 112 A 1 ATOM 903 C CB . PRO A 1 112 ? -11.647 23.466 -11.689 1.00 96.08 112 A 1 ATOM 904 C CG . PRO A 1 112 ? -13.005 24.134 -11.489 1.00 94.58 112 A 1 ATOM 905 C CD . PRO A 1 112 ? -13.324 23.797 -10.038 1.00 96.58 112 A 1 ATOM 906 N N . GLU A 1 113 ? -10.417 26.014 -9.906 1.00 97.03 113 A 1 ATOM 907 C CA . GLU A 1 113 ? -9.558 27.202 -9.809 1.00 97.11 113 A 1 ATOM 908 C C . GLU A 1 113 ? -8.552 27.120 -8.646 1.00 97.26 113 A 1 ATOM 909 O O . GLU A 1 113 ? -7.550 27.830 -8.653 1.00 95.83 113 A 1 ATOM 910 C CB . GLU A 1 113 ? -10.411 28.481 -9.691 1.00 96.78 113 A 1 ATOM 911 C CG . GLU A 1 113 ? -11.297 28.735 -10.926 1.00 93.18 113 A 1 ATOM 912 C CD . GLU A 1 113 ? -11.993 30.111 -10.957 1.00 88.07 113 A 1 ATOM 913 O OE1 . GLU A 1 113 ? -12.642 30.399 -11.997 1.00 81.00 113 A 1 ATOM 914 O OE2 . GLU A 1 113 ? -11.831 30.925 -10.019 1.00 80.22 113 A 1 ATOM 915 N N . GLU A 1 114 ? -8.785 26.237 -7.673 1.00 97.02 114 A 1 ATOM 916 C CA . GLU A 1 114 ? -7.909 26.015 -6.513 1.00 96.57 114 A 1 ATOM 917 C C . GLU A 1 114 ? -6.786 25.004 -6.799 1.00 97.17 114 A 1 ATOM 918 O O . GLU A 1 114 ? -5.835 24.913 -6.023 1.00 96.14 114 A 1 ATOM 919 C CB . GLU A 1 114 ? -8.741 25.552 -5.308 1.00 95.08 114 A 1 ATOM 920 C CG . GLU A 1 114 ? -9.783 26.596 -4.854 1.00 90.85 114 A 1 ATOM 921 C CD . GLU A 1 114 ? -10.608 26.137 -3.637 1.00 87.25 114 A 1 ATOM 922 O OE1 . GLU A 1 114 ? -11.049 27.031 -2.875 1.00 78.18 114 A 1 ATOM 923 O OE2 . GLU A 1 114 ? -10.790 24.910 -3.455 1.00 78.37 114 A 1 ATOM 924 N N . ILE A 1 115 ? -6.881 24.259 -7.910 1.00 96.37 115 A 1 ATOM 925 C CA . ILE A 1 115 ? -5.907 23.220 -8.273 1.00 97.02 115 A 1 ATOM 926 C C . ILE A 1 115 ? -4.518 23.850 -8.426 1.00 97.15 115 A 1 ATOM 927 O O . ILE A 1 115 ? -4.315 24.773 -9.220 1.00 96.73 115 A 1 ATOM 928 C CB . ILE A 1 115 ? -6.342 22.455 -9.544 1.00 97.29 115 A 1 ATOM 929 C CG1 . ILE A 1 115 ? -7.694 21.736 -9.318 1.00 96.88 115 A 1 ATOM 930 C CG2 . ILE A 1 115 ? -5.269 21.431 -9.968 1.00 96.93 115 A 1 ATOM 931 C CD1 . ILE A 1 115 ? -8.336 21.174 -10.595 1.00 95.57 115 A 1 ATOM 932 N N . ALA A 1 116 ? -3.545 23.322 -7.686 1.00 96.85 116 A 1 ATOM 933 C CA . ALA A 1 116 ? -2.186 23.844 -7.690 1.00 96.67 116 A 1 ATOM 934 C C . ALA A 1 116 ? -1.506 23.670 -9.062 1.00 96.66 116 A 1 ATOM 935 O O . ALA A 1 116 ? -1.751 22.723 -9.813 1.00 95.34 116 A 1 ATOM 936 C CB . ALA A 1 116 ? -1.384 23.196 -6.557 1.00 95.97 116 A 1 ATOM 937 N N . GLU A 1 117 ? -0.614 24.598 -9.400 1.00 96.31 117 A 1 ATOM 938 C CA . GLU A 1 117 ? 0.134 24.536 -10.656 1.00 96.01 117 A 1 ATOM 939 C C . GLU A 1 117 ? 0.977 23.254 -10.723 1.00 95.45 117 A 1 ATOM 940 O O . GLU A 1 117 ? 1.863 23.021 -9.907 1.00 92.76 117 A 1 ATOM 941 C CB . GLU A 1 117 ? 0.999 25.802 -10.822 1.00 95.26 117 A 1 ATOM 942 C CG . GLU A 1 117 ? 1.661 25.876 -12.213 1.00 85.04 117 A 1 ATOM 943 C CD . GLU A 1 117 ? 2.512 27.142 -12.452 1.00 81.07 117 A 1 ATOM 944 O OE1 . GLU A 1 117 ? 3.047 27.274 -13.584 1.00 74.34 117 A 1 ATOM 945 O OE2 . GLU A 1 117 ? 2.643 27.984 -11.532 1.00 75.14 117 A 1 ATOM 946 N N . GLY A 1 118 ? 0.722 22.444 -11.746 1.00 95.65 118 A 1 ATOM 947 C CA . GLY A 1 118 ? 1.403 21.165 -11.970 1.00 95.07 118 A 1 ATOM 948 C C . GLY A 1 118 ? 0.610 19.934 -11.538 1.00 95.77 118 A 1 ATOM 949 O O . GLY A 1 118 ? 0.951 18.833 -11.979 1.00 93.87 118 A 1 ATOM 950 N N . ASP A 1 119 ? -0.469 20.102 -10.762 1.00 95.47 119 A 1 ATOM 951 C CA . ASP A 1 119 ? -1.339 18.994 -10.385 1.00 96.16 119 A 1 ATOM 952 C C . ASP A 1 119 ? -2.255 18.576 -11.539 1.00 96.71 119 A 1 ATOM 953 O O . ASP A 1 119 ? -2.817 19.388 -12.276 1.00 95.77 119 A 1 ATOM 954 C CB . ASP A 1 119 ? -2.149 19.323 -9.120 1.00 95.72 119 A 1 ATOM 955 C CG . ASP A 1 119 ? -1.332 19.227 -7.827 1.00 94.53 119 A 1 ATOM 956 O OD1 . ASP A 1 119 ? -0.188 18.711 -7.881 1.00 91.35 119 A 1 ATOM 957 O OD2 . ASP A 1 119 ? -1.896 19.596 -6.777 1.00 90.92 119 A 1 ATOM 958 N N . ILE A 1 120 ? -2.426 17.262 -11.693 1.00 97.03 120 A 1 ATOM 959 C CA . ILE A 1 120 ? -3.391 16.670 -12.618 1.00 97.06 120 A 1 ATOM 960 C C . ILE A 1 120 ? -4.544 16.133 -11.781 1.00 97.46 120 A 1 ATOM 961 O O . ILE A 1 120 ? -4.431 15.074 -11.160 1.00 96.94 120 A 1 ATOM 962 C CB . ILE A 1 120 ? -2.746 15.588 -13.512 1.00 96.28 120 A 1 ATOM 963 C CG1 . ILE A 1 120 ? -1.573 16.179 -14.330 1.00 94.19 120 A 1 ATOM 964 C CG2 . ILE A 1 120 ? -3.817 14.989 -14.449 1.00 94.03 120 A 1 ATOM 965 C CD1 . ILE A 1 120 ? -0.818 15.149 -15.185 1.00 86.20 120 A 1 ATOM 966 N N . ALA A 1 121 ? -5.659 16.865 -11.765 1.00 97.64 121 A 1 ATOM 967 C CA . ALA A 1 121 ? -6.833 16.513 -10.984 1.00 97.79 121 A 1 ATOM 968 C C . ALA A 1 121 ? -7.914 15.830 -11.835 1.00 97.92 121 A 1 ATOM 969 O O . ALA A 1 121 ? -8.176 16.202 -12.983 1.00 97.14 121 A 1 ATOM 970 C CB . ALA A 1 121 ? -7.331 17.762 -10.257 1.00 97.08 121 A 1 ATOM 971 N N . GLU A 1 122 ? -8.575 14.829 -11.244 1.00 98.02 122 A 1 ATOM 972 C CA . GLU A 1 122 ? -9.698 14.085 -11.816 1.00 97.83 122 A 1 ATOM 973 C C . GLU A 1 122 ? -10.982 14.426 -11.056 1.00 98.16 122 A 1 ATOM 974 O O . GLU A 1 122 ? -11.046 14.301 -9.837 1.00 97.70 122 A 1 ATOM 975 C CB . GLU A 1 122 ? -9.388 12.578 -11.768 1.00 96.13 122 A 1 ATOM 976 C CG . GLU A 1 122 ? -10.526 11.710 -12.332 1.00 85.11 122 A 1 ATOM 977 C CD . GLU A 1 122 ? -10.274 10.194 -12.202 1.00 87.92 122 A 1 ATOM 978 O OE1 . GLU A 1 122 ? -11.159 9.428 -12.654 1.00 77.90 122 A 1 ATOM 979 O OE2 . GLU A 1 122 ? -9.225 9.787 -11.644 1.00 81.51 122 A 1 ATOM 980 N N . LYS A 1 123 ? -12.037 14.827 -11.773 1.00 98.23 123 A 1 ATOM 981 C CA . LYS A 1 123 ? -13.348 15.093 -11.173 1.00 98.44 123 A 1 ATOM 982 C C . LYS A 1 123 ? -14.063 13.779 -10.858 1.00 98.50 123 A 1 ATOM 983 O O . LYS A 1 123 ? -14.389 13.023 -11.771 1.00 98.23 123 A 1 ATOM 984 C CB . LYS A 1 123 ? -14.183 16.002 -12.086 1.00 98.31 123 A 1 ATOM 985 C CG . LYS A 1 123 ? -15.462 16.442 -11.361 1.00 98.07 123 A 1 ATOM 986 C CD . LYS A 1 123 ? -16.273 17.438 -12.197 1.00 97.36 123 A 1 ATOM 987 C CE . LYS A 1 123 ? -17.470 17.872 -11.345 1.00 95.50 123 A 1 ATOM 988 N NZ . LYS A 1 123 ? -18.184 19.032 -11.922 1.00 91.90 123 A 1 ATOM 989 N N . VAL A 1 124 ? -14.383 13.550 -9.591 1.00 98.51 124 A 1 ATOM 990 C CA . VAL A 1 124 ? -15.058 12.339 -9.102 1.00 98.48 124 A 1 ATOM 991 C C . VAL A 1 124 ? -16.197 12.687 -8.143 1.00 98.56 124 A 1 ATOM 992 O O . VAL A 1 124 ? -16.264 13.795 -7.616 1.00 98.33 124 A 1 ATOM 993 C CB . VAL A 1 124 ? -14.068 11.363 -8.436 1.00 98.03 124 A 1 ATOM 994 C CG1 . VAL A 1 124 ? -12.976 10.908 -9.410 1.00 94.01 124 A 1 ATOM 995 C CG2 . VAL A 1 124 ? -13.420 11.947 -7.181 1.00 93.46 124 A 1 ATOM 996 N N . LEU A 1 125 ? -17.110 11.733 -7.912 1.00 98.54 125 A 1 ATOM 997 C CA . LEU A 1 125 ? -18.108 11.862 -6.850 1.00 98.57 125 A 1 ATOM 998 C C . LEU A 1 125 ? -17.407 11.873 -5.488 1.00 98.61 125 A 1 ATOM 999 O O . LEU A 1 125 ? -16.599 10.980 -5.211 1.00 98.42 125 A 1 ATOM 1000 C CB . LEU A 1 125 ? -19.113 10.698 -6.912 1.00 98.37 125 A 1 ATOM 1001 C CG . LEU A 1 125 ? -20.119 10.767 -8.069 1.00 94.72 125 A 1 ATOM 1002 C CD1 . LEU A 1 125 ? -20.839 9.426 -8.217 1.00 90.86 125 A 1 ATOM 1003 C CD2 . LEU A 1 125 ? -21.186 11.835 -7.823 1.00 91.97 125 A 1 ATOM 1004 N N . THR A 1 126 ? -17.788 12.798 -4.614 1.00 98.56 126 A 1 ATOM 1005 C CA . THR A 1 126 ? -17.243 12.921 -3.255 1.00 98.54 126 A 1 ATOM 1006 C C . THR A 1 126 ? -17.389 11.613 -2.479 1.00 98.50 126 A 1 ATOM 1007 O O . THR A 1 126 ? -16.425 11.120 -1.899 1.00 98.33 126 A 1 ATOM 1008 C CB . THR A 1 126 ? -17.950 14.058 -2.506 1.00 98.36 126 A 1 ATOM 1009 O OG1 . THR A 1 126 ? -17.839 15.231 -3.270 1.00 97.23 126 A 1 ATOM 1010 C CG2 . THR A 1 126 ? -17.338 14.339 -1.143 1.00 97.18 126 A 1 ATOM 1011 N N . SER A 1 127 ? -18.566 10.981 -2.561 1.00 98.42 127 A 1 ATOM 1012 C CA . SER A 1 127 ? -18.825 9.688 -1.922 1.00 98.18 127 A 1 ATOM 1013 C C . SER A 1 127 ? -17.950 8.552 -2.458 1.00 98.11 127 A 1 ATOM 1014 O O . SER A 1 127 ? -17.599 7.644 -1.710 1.00 97.79 127 A 1 ATOM 1015 C CB . SER A 1 127 ? -20.301 9.314 -2.096 1.00 97.86 127 A 1 ATOM 1016 O OG . SER A 1 127 ? -20.654 9.249 -3.468 1.00 95.07 127 A 1 ATOM 1017 N N . SER A 1 128 ? -17.585 8.581 -3.746 1.00 98.41 128 A 1 ATOM 1018 C CA . SER A 1 128 ? -16.708 7.571 -4.348 1.00 98.33 128 A 1 ATOM 1019 C C . SER A 1 128 ? -15.258 7.743 -3.907 1.00 98.28 128 A 1 ATOM 1020 O O . SER A 1 128 ? -14.602 6.745 -3.628 1.00 97.88 128 A 1 ATOM 1021 C CB . SER A 1 128 ? -16.778 7.613 -5.876 1.00 98.15 128 A 1 ATOM 1022 O OG . SER A 1 128 ? -18.092 7.314 -6.316 1.00 85.85 128 A 1 ATOM 1023 N N . ALA A 1 129 ? -14.784 8.991 -3.817 1.00 98.48 129 A 1 ATOM 1024 C CA . ALA A 1 129 ? -13.449 9.285 -3.302 1.00 98.38 129 A 1 ATOM 1025 C C . ALA A 1 129 ? -13.318 8.879 -1.829 1.00 98.23 129 A 1 ATOM 1026 O O . ALA A 1 129 ? -12.362 8.196 -1.471 1.00 97.90 129 A 1 ATOM 1027 C CB . ALA A 1 129 ? -13.159 10.777 -3.498 1.00 98.31 129 A 1 ATOM 1028 N N . LEU A 1 130 ? -14.310 9.226 -1.000 1.00 98.24 130 A 1 ATOM 1029 C CA . LEU A 1 130 ? -14.336 8.840 0.411 1.00 97.95 130 A 1 ATOM 1030 C C . LEU A 1 130 ? -14.338 7.315 0.568 1.00 97.61 130 A 1 ATOM 1031 O O . LEU A 1 130 ? -13.479 6.774 1.253 1.00 97.32 130 A 1 ATOM 1032 C CB . LEU A 1 130 ? -15.544 9.504 1.093 1.00 97.70 130 A 1 ATOM 1033 C CG . LEU A 1 130 ? -15.628 9.234 2.607 1.00 95.88 130 A 1 ATOM 1034 C CD1 . LEU A 1 130 ? -14.420 9.785 3.363 1.00 94.49 130 A 1 ATOM 1035 C CD2 . LEU A 1 130 ? -16.889 9.891 3.175 1.00 94.72 130 A 1 ATOM 1036 N N . ALA A 1 131 ? -15.218 6.609 -0.150 1.00 97.57 131 A 1 ATOM 1037 C CA . ALA A 1 131 ? -15.277 5.146 -0.098 1.00 97.25 131 A 1 ATOM 1038 C C . ALA A 1 131 ? -13.988 4.464 -0.595 1.00 96.81 131 A 1 ATOM 1039 O O . ALA A 1 131 ? -13.642 3.377 -0.131 1.00 96.33 131 A 1 ATOM 1040 C CB . ALA A 1 131 ? -16.484 4.687 -0.927 1.00 97.29 131 A 1 ATOM 1041 N N . GLU A 1 132 ? -13.286 5.061 -1.558 1.00 97.49 132 A 1 ATOM 1042 C CA . GLU A 1 132 ? -11.974 4.577 -1.999 1.00 97.21 132 A 1 ATOM 1043 C C . GLU A 1 132 ? -10.934 4.726 -0.884 1.00 96.97 132 A 1 ATOM 1044 O O . GLU A 1 132 ? -10.237 3.756 -0.580 1.00 96.24 132 A 1 ATOM 1045 C CB . GLU A 1 132 ? -11.534 5.290 -3.295 1.00 97.19 132 A 1 ATOM 1046 C CG . GLU A 1 132 ? -10.175 4.756 -3.779 1.00 96.34 132 A 1 ATOM 1047 C CD . GLU A 1 132 ? -9.654 5.348 -5.098 1.00 96.35 132 A 1 ATOM 1048 O OE1 . GLU A 1 132 ? -8.415 5.292 -5.304 1.00 92.83 132 A 1 ATOM 1049 O OE2 . GLU A 1 132 ? -10.424 5.771 -5.984 1.00 93.93 132 A 1 ATOM 1050 N N . MET A 1 133 ? -10.860 5.898 -0.255 1.00 97.62 133 A 1 ATOM 1051 C CA . MET A 1 133 ? -9.918 6.161 0.837 1.00 97.48 133 A 1 ATOM 1052 C C . MET A 1 133 ? -10.208 5.284 2.059 1.00 97.09 133 A 1 ATOM 1053 O O . MET A 1 133 ? -9.295 4.648 2.578 1.00 96.81 133 A 1 ATOM 1054 C CB . MET A 1 133 ? -9.948 7.647 1.220 1.00 97.76 133 A 1 ATOM 1055 C CG . MET A 1 133 ? -9.352 8.544 0.129 1.00 97.60 133 A 1 ATOM 1056 S SD . MET A 1 133 ? -9.186 10.296 0.566 1.00 97.05 133 A 1 ATOM 1057 C CE . MET A 1 133 ? -10.920 10.804 0.692 1.00 93.19 133 A 1 ATOM 1058 N N . GLU A 1 134 ? -11.469 5.167 2.482 1.00 96.57 134 A 1 ATOM 1059 C CA . GLU A 1 134 ? -11.885 4.311 3.605 1.00 96.19 134 A 1 ATOM 1060 C C . GLU A 1 134 ? -11.524 2.839 3.378 1.00 95.54 134 A 1 ATOM 1061 O O . GLU A 1 134 ? -11.057 2.157 4.283 1.00 94.49 134 A 1 ATOM 1062 C CB . GLU A 1 134 ? -13.403 4.384 3.781 1.00 96.53 134 A 1 ATOM 1063 C CG . GLU A 1 134 ? -13.917 5.699 4.387 1.00 95.82 134 A 1 ATOM 1064 C CD . GLU A 1 134 ? -15.459 5.707 4.483 1.00 94.87 134 A 1 ATOM 1065 O OE1 . GLU A 1 134 ? -15.993 6.401 5.364 1.00 90.67 134 A 1 ATOM 1066 O OE2 . GLU A 1 134 ? -16.115 4.990 3.676 1.00 91.53 134 A 1 ATOM 1067 N N . LYS A 1 135 ? -11.725 2.344 2.151 1.00 96.05 135 A 1 ATOM 1068 C CA . LYS A 1 135 ? -11.414 0.955 1.794 1.00 95.21 135 A 1 ATOM 1069 C C . LYS A 1 135 ? -9.921 0.646 1.884 1.00 95.08 135 A 1 ATOM 1070 O O . LYS A 1 135 ? -9.557 -0.493 2.169 1.00 93.82 135 A 1 ATOM 1071 C CB . LYS A 1 135 ? -11.948 0.702 0.385 1.00 94.37 135 A 1 ATOM 1072 C CG . LYS A 1 135 ? -11.664 -0.727 -0.086 1.00 88.81 135 A 1 ATOM 1073 C CD . LYS A 1 135 ? -12.156 -0.903 -1.515 1.00 84.46 135 A 1 ATOM 1074 C CE . LYS A 1 135 ? -11.723 -2.286 -1.992 1.00 76.41 135 A 1 ATOM 1075 N NZ . LYS A 1 135 ? -12.029 -2.445 -3.431 1.00 69.15 135 A 1 ATOM 1076 N N . ASP A 1 136 ? -9.084 1.620 1.555 1.00 95.30 136 A 1 ATOM 1077 C CA . ASP A 1 136 ? -7.631 1.440 1.556 1.00 95.07 136 A 1 ATOM 1078 C C . ASP A 1 136 ? -6.983 1.820 2.895 1.00 94.59 136 A 1 ATOM 1079 O O . ASP A 1 136 ? -5.802 1.520 3.096 1.00 92.91 136 A 1 ATOM 1080 C CB . ASP A 1 136 ? -7.009 2.273 0.447 1.00 95.06 136 A 1 ATOM 1081 C CG . ASP A 1 136 ? -7.490 1.952 -0.958 1.00 94.70 136 A 1 ATOM 1082 O OD1 . ASP A 1 136 ? -7.722 0.789 -1.360 1.00 92.47 136 A 1 ATOM 1083 O OD2 . ASP A 1 136 ? -7.544 2.917 -1.742 1.00 92.69 136 A 1 ATOM 1084 N N . ASN A 1 137 ? -7.735 2.476 3.783 1.00 93.83 137 A 1 ATOM 1085 C CA . ASN A 1 137 ? -7.270 2.884 5.103 1.00 92.23 137 A 1 ATOM 1086 C C . ASN A 1 137 ? -7.459 1.754 6.123 1.00 89.14 137 A 1 ATOM 1087 O O . ASN A 1 137 ? -8.561 1.248 6.312 1.00 84.02 137 A 1 ATOM 1088 C CB . ASN A 1 137 ? -8.033 4.147 5.526 1.00 92.15 137 A 1 ATOM 1089 C CG . ASN A 1 137 ? -7.392 4.839 6.714 1.00 92.26 137 A 1 ATOM 1090 O OD1 . ASN A 1 137 ? -6.229 5.192 6.687 1.00 86.24 137 A 1 ATOM 1091 N ND2 . ASN A 1 137 ? -8.121 5.087 7.772 1.00 86.86 137 A 1 ATOM 1092 N N . GLU A 1 138 ? -6.405 1.376 6.839 1.00 79.79 138 A 1 ATOM 1093 C CA . GLU A 1 138 ? -6.563 0.601 8.073 1.00 75.81 138 A 1 ATOM 1094 C C . GLU A 1 138 ? -6.709 1.576 9.241 1.00 73.74 138 A 1 ATOM 1095 O O . GLU A 1 138 ? -5.756 2.251 9.632 1.00 65.24 138 A 1 ATOM 1096 C CB . GLU A 1 138 ? -5.412 -0.398 8.286 1.00 69.72 138 A 1 ATOM 1097 C CG . GLU A 1 138 ? -5.715 -1.769 7.659 1.00 60.32 138 A 1 ATOM 1098 C CD . GLU A 1 138 ? -4.572 -2.800 7.789 1.00 55.99 138 A 1 ATOM 1099 O OE1 . GLU A 1 138 ? -4.643 -3.840 7.086 1.00 50.67 138 A 1 ATOM 1100 O OE2 . GLU A 1 138 ? -3.615 -2.594 8.571 1.00 50.63 138 A 1 ATOM 1101 N N . ILE A 1 139 ? -7.917 1.626 9.820 1.00 62.47 139 A 1 ATOM 1102 C CA . ILE A 1 139 ? -8.127 2.278 11.114 1.00 57.35 139 A 1 ATOM 1103 C C . ILE A 1 139 ? -7.579 1.320 12.179 1.00 53.99 139 A 1 ATOM 1104 O O . ILE A 1 139 ? -8.140 0.248 12.393 1.00 49.23 139 A 1 ATOM 1105 C CB . ILE A 1 139 ? -9.616 2.649 11.327 1.00 53.48 139 A 1 ATOM 1106 C CG1 . ILE A 1 139 ? -10.145 3.526 10.163 1.00 49.23 139 A 1 ATOM 1107 C CG2 . ILE A 1 139 ? -9.775 3.382 12.676 1.00 48.39 139 A 1 ATOM 1108 C CD1 . ILE A 1 139 ? -11.651 3.821 10.232 1.00 44.88 139 A 1 ATOM 1109 N N . PHE A 1 140 ? -6.455 1.673 12.787 1.00 45.87 140 A 1 ATOM 1110 C CA . PHE A 1 140 ? -5.877 0.964 13.938 1.00 44.73 140 A 1 ATOM 1111 C C . PHE A 1 140 ? -6.616 1.270 15.244 1.00 41.23 140 A 1 ATOM 1112 O O . PHE A 1 140 ? -7.016 2.432 15.435 1.00 37.05 140 A 1 ATOM 1113 C CB . PHE A 1 140 ? -4.388 1.299 14.080 1.00 40.28 140 A 1 ATOM 1114 C CG . PHE A 1 140 ? -3.487 0.661 13.047 1.00 38.31 140 A 1 ATOM 1115 C CD1 . PHE A 1 140 ? -3.072 -0.676 13.193 1.00 36.48 140 A 1 ATOM 1116 C CD2 . PHE A 1 140 ? -3.063 1.402 11.927 1.00 34.83 140 A 1 ATOM 1117 C CE1 . PHE A 1 140 ? -2.242 -1.270 12.226 1.00 32.96 140 A 1 ATOM 1118 C CE2 . PHE A 1 140 ? -2.238 0.805 10.958 1.00 35.67 140 A 1 ATOM 1119 C CZ . PHE A 1 140 ? -1.830 -0.531 11.109 1.00 33.65 140 A 1 ATOM 1120 O OXT . PHE A 1 140 ? -6.737 0.302 16.039 1.00 38.31 140 A 1 #