# 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_ardr # _entry.id ardr # 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" "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 ALA 3 1 n THR 4 1 n LEU 5 1 n GLN 6 1 n HIS 7 1 n PRO 8 1 n THR 9 1 n ALA 10 1 n TRP 11 1 n GLN 12 1 n LEU 13 1 n PRO 14 1 n ASP 15 1 n ARG 16 1 n LEU 17 1 n MET 18 1 n LEU 19 1 n LEU 20 1 n GLU 21 1 n LEU 22 1 n LEU 23 1 n MET 24 1 n PHE 25 1 n ASP 26 1 n TYR 27 1 n ARG 28 1 n ASN 29 1 n SER 30 1 n ASP 31 1 n GLN 32 1 n GLU 33 1 n ARG 34 1 n TYR 35 1 n GLY 36 1 n GLN 37 1 n GLN 38 1 n ILE 39 1 n TYR 40 1 n HIS 41 1 n HIS 42 1 n TYR 43 1 n ARG 44 1 n LYS 45 1 n GLN 46 1 n GLY 47 1 n ASN 48 1 n HIS 49 1 n ARG 50 1 n TRP 51 1 n ASP 52 1 n THR 53 1 n SER 54 1 n VAL 55 1 n HIS 56 1 n GLN 57 1 n ASP 58 1 n SER 59 1 n GLY 60 1 n GLY 61 1 n GLN 62 1 n TYR 63 1 n ALA 64 1 n ILE 65 1 n ILE 66 1 n PHE 67 1 n ARG 68 1 n HIS 69 1 n SER 70 1 n PHE 71 1 n SER 72 1 n LYS 73 1 n LYS 74 1 n GLN 75 1 n ALA 76 1 n ASP 77 1 n GLY 78 1 n VAL 79 1 n LYS 80 1 n ARG 81 1 n THR 82 1 n MET 83 1 n ILE 84 1 n ARG 85 1 n ASP 86 1 n GLU 87 1 n THR 88 1 n VAL 89 1 n ILE 90 1 n ARG 91 1 n ALA 92 1 n GLY 93 1 n THR 94 1 n ALA 95 1 n GLN 96 1 n GLU 97 1 n LEU 98 1 n THR 99 1 n GLU 100 1 n ALA 101 1 n THR 102 1 n PHE 103 1 n PRO 104 1 n ASP 105 1 n PHE 106 1 n GLN 107 1 n ASP 108 1 n SER 109 1 n ASP 110 1 n ILE 111 1 n LEU 112 1 n LYS 113 1 n ALA 114 1 n SER 115 1 n ASP 116 1 n PHE 117 1 n PHE 118 1 n LYS 119 1 n SER 120 1 n LEU 121 1 n ILE 122 1 n GLN 123 1 n ARG 124 1 n LYS 125 1 n ALA 126 1 n ALA 127 1 n ASP 128 1 n VAL 129 1 n THR 130 1 n GLN 131 1 n THR 132 1 n ASP 133 1 n ILE 134 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-07 01:02:45)" _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 77.97 _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 29.70 1 1 A LEU 2 2 30.19 1 2 A ALA 3 2 37.90 1 3 A THR 4 2 34.36 1 4 A LEU 5 2 32.54 1 5 A GLN 6 2 34.50 1 6 A HIS 7 2 35.29 1 7 A PRO 8 2 39.15 1 8 A THR 9 2 40.79 1 9 A ALA 10 2 40.51 1 10 A TRP 11 2 37.68 1 11 A GLN 12 2 42.82 1 12 A LEU 13 2 38.71 1 13 A PRO 14 2 49.47 1 14 A ASP 15 2 45.69 1 15 A ARG 16 2 36.72 1 16 A LEU 17 2 40.18 1 17 A MET 18 2 36.50 1 18 A LEU 19 2 36.96 1 19 A LEU 20 2 35.07 1 20 A GLU 21 2 31.24 1 21 A LEU 22 2 32.31 1 22 A LEU 23 2 36.73 1 23 A MET 24 2 42.98 1 24 A PHE 25 2 51.70 1 25 A ASP 26 2 67.80 1 26 A TYR 27 2 69.30 1 27 A ARG 28 2 67.33 1 28 A ASN 29 2 77.64 1 29 A SER 30 2 84.74 1 30 A ASP 31 2 89.58 1 31 A GLN 32 2 83.73 1 32 A GLU 33 2 83.54 1 33 A ARG 34 2 80.87 1 34 A TYR 35 2 94.07 1 35 A GLY 36 2 96.42 1 36 A GLN 37 2 86.99 1 37 A GLN 38 2 92.72 1 38 A ILE 39 2 95.64 1 39 A TYR 40 2 96.30 1 40 A HIS 41 2 90.84 1 41 A HIS 42 2 85.00 1 42 A TYR 43 2 91.23 1 43 A ARG 44 2 90.84 1 44 A LYS 45 2 85.35 1 45 A GLN 46 2 86.85 1 46 A GLY 47 2 94.08 1 47 A ASN 48 2 89.14 1 48 A HIS 49 2 91.71 1 49 A ARG 50 2 86.81 1 50 A TRP 51 2 94.85 1 51 A ASP 52 2 92.10 1 52 A THR 53 2 96.24 1 53 A SER 54 2 95.63 1 54 A VAL 55 2 97.13 1 55 A HIS 56 2 95.16 1 56 A GLN 57 2 92.63 1 57 A ASP 58 2 94.38 1 58 A SER 59 2 94.55 1 59 A GLY 60 2 94.81 1 60 A GLY 61 2 93.97 1 61 A GLN 62 2 87.52 1 62 A TYR 63 2 95.11 1 63 A ALA 64 2 97.56 1 64 A ILE 65 2 96.55 1 65 A ILE 66 2 95.89 1 66 A PHE 67 2 96.98 1 67 A ARG 68 2 91.22 1 68 A HIS 69 2 91.40 1 69 A SER 70 2 90.46 1 70 A PHE 71 2 87.09 1 71 A SER 72 2 86.01 1 72 A LYS 73 2 79.59 1 73 A LYS 74 2 80.35 1 74 A GLN 75 2 78.84 1 75 A ALA 76 2 87.51 1 76 A ASP 77 2 83.06 1 77 A GLY 78 2 85.43 1 78 A VAL 79 2 83.08 1 79 A LYS 80 2 78.19 1 80 A ARG 81 2 75.86 1 81 A THR 82 2 84.15 1 82 A MET 83 2 81.41 1 83 A ILE 84 2 88.42 1 84 A ARG 85 2 81.24 1 85 A ASP 86 2 86.01 1 86 A GLU 87 2 91.49 1 87 A THR 88 2 95.25 1 88 A VAL 89 2 96.47 1 89 A ILE 90 2 95.76 1 90 A ARG 91 2 88.64 1 91 A ALA 92 2 95.84 1 92 A GLY 93 2 94.30 1 93 A THR 94 2 92.45 1 94 A ALA 95 2 93.18 1 95 A GLN 96 2 84.83 1 96 A GLU 97 2 90.23 1 97 A LEU 98 2 93.36 1 98 A THR 99 2 93.46 1 99 A GLU 100 2 91.79 1 100 A ALA 101 2 96.71 1 101 A THR 102 2 94.75 1 102 A PHE 103 2 94.91 1 103 A PRO 104 2 95.70 1 104 A ASP 105 2 89.43 1 105 A PHE 106 2 85.92 1 106 A GLN 107 2 91.13 1 107 A ASP 108 2 94.24 1 108 A SER 109 2 96.43 1 109 A ASP 110 2 95.70 1 110 A ILE 111 2 96.96 1 111 A LEU 112 2 97.51 1 112 A LYS 113 2 94.09 1 113 A ALA 114 2 97.32 1 114 A SER 115 2 96.96 1 115 A ASP 116 2 93.80 1 116 A PHE 117 2 95.58 1 117 A PHE 118 2 95.71 1 118 A LYS 119 2 92.28 1 119 A SER 120 2 92.31 1 120 A LEU 121 2 90.08 1 121 A ILE 122 2 87.21 1 122 A GLN 123 2 79.19 1 123 A ARG 124 2 65.66 1 124 A LYS 125 2 63.58 1 125 A ALA 126 2 71.24 1 126 A ALA 127 2 69.96 1 127 A ASP 128 2 63.56 1 128 A VAL 129 2 69.61 1 129 A THR 130 2 68.74 1 130 A GLN 131 2 64.92 1 131 A THR 132 2 68.71 1 132 A ASP 133 2 57.95 1 133 A ILE 134 2 63.81 1 134 # _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 ALA . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n GLN . 6 A 6 A 7 1 n HIS . 7 A 7 A 8 1 n PRO . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n TRP . 11 A 11 A 12 1 n GLN . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n PRO . 14 A 14 A 15 1 n ASP . 15 A 15 A 16 1 n ARG . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n MET . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n GLU . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n MET . 24 A 24 A 25 1 n PHE . 25 A 25 A 26 1 n ASP . 26 A 26 A 27 1 n TYR . 27 A 27 A 28 1 n ARG . 28 A 28 A 29 1 n ASN . 29 A 29 A 30 1 n SER . 30 A 30 A 31 1 n ASP . 31 A 31 A 32 1 n GLN . 32 A 32 A 33 1 n GLU . 33 A 33 A 34 1 n ARG . 34 A 34 A 35 1 n TYR . 35 A 35 A 36 1 n GLY . 36 A 36 A 37 1 n GLN . 37 A 37 A 38 1 n GLN . 38 A 38 A 39 1 n ILE . 39 A 39 A 40 1 n TYR . 40 A 40 A 41 1 n HIS . 41 A 41 A 42 1 n HIS . 42 A 42 A 43 1 n TYR . 43 A 43 A 44 1 n ARG . 44 A 44 A 45 1 n LYS . 45 A 45 A 46 1 n GLN . 46 A 46 A 47 1 n GLY . 47 A 47 A 48 1 n ASN . 48 A 48 A 49 1 n HIS . 49 A 49 A 50 1 n ARG . 50 A 50 A 51 1 n TRP . 51 A 51 A 52 1 n ASP . 52 A 52 A 53 1 n THR . 53 A 53 A 54 1 n SER . 54 A 54 A 55 1 n VAL . 55 A 55 A 56 1 n HIS . 56 A 56 A 57 1 n GLN . 57 A 57 A 58 1 n ASP . 58 A 58 A 59 1 n SER . 59 A 59 A 60 1 n GLY . 60 A 60 A 61 1 n GLY . 61 A 61 A 62 1 n GLN . 62 A 62 A 63 1 n TYR . 63 A 63 A 64 1 n ALA . 64 A 64 A 65 1 n ILE . 65 A 65 A 66 1 n ILE . 66 A 66 A 67 1 n PHE . 67 A 67 A 68 1 n ARG . 68 A 68 A 69 1 n HIS . 69 A 69 A 70 1 n SER . 70 A 70 A 71 1 n PHE . 71 A 71 A 72 1 n SER . 72 A 72 A 73 1 n LYS . 73 A 73 A 74 1 n LYS . 74 A 74 A 75 1 n GLN . 75 A 75 A 76 1 n ALA . 76 A 76 A 77 1 n ASP . 77 A 77 A 78 1 n GLY . 78 A 78 A 79 1 n VAL . 79 A 79 A 80 1 n LYS . 80 A 80 A 81 1 n ARG . 81 A 81 A 82 1 n THR . 82 A 82 A 83 1 n MET . 83 A 83 A 84 1 n ILE . 84 A 84 A 85 1 n ARG . 85 A 85 A 86 1 n ASP . 86 A 86 A 87 1 n GLU . 87 A 87 A 88 1 n THR . 88 A 88 A 89 1 n VAL . 89 A 89 A 90 1 n ILE . 90 A 90 A 91 1 n ARG . 91 A 91 A 92 1 n ALA . 92 A 92 A 93 1 n GLY . 93 A 93 A 94 1 n THR . 94 A 94 A 95 1 n ALA . 95 A 95 A 96 1 n GLN . 96 A 96 A 97 1 n GLU . 97 A 97 A 98 1 n LEU . 98 A 98 A 99 1 n THR . 99 A 99 A 100 1 n GLU . 100 A 100 A 101 1 n ALA . 101 A 101 A 102 1 n THR . 102 A 102 A 103 1 n PHE . 103 A 103 A 104 1 n PRO . 104 A 104 A 105 1 n ASP . 105 A 105 A 106 1 n PHE . 106 A 106 A 107 1 n GLN . 107 A 107 A 108 1 n ASP . 108 A 108 A 109 1 n SER . 109 A 109 A 110 1 n ASP . 110 A 110 A 111 1 n ILE . 111 A 111 A 112 1 n LEU . 112 A 112 A 113 1 n LYS . 113 A 113 A 114 1 n ALA . 114 A 114 A 115 1 n SER . 115 A 115 A 116 1 n ASP . 116 A 116 A 117 1 n PHE . 117 A 117 A 118 1 n PHE . 118 A 118 A 119 1 n LYS . 119 A 119 A 120 1 n SER . 120 A 120 A 121 1 n LEU . 121 A 121 A 122 1 n ILE . 122 A 122 A 123 1 n GLN . 123 A 123 A 124 1 n ARG . 124 A 124 A 125 1 n LYS . 125 A 125 A 126 1 n ALA . 126 A 126 A 127 1 n ALA . 127 A 127 A 128 1 n ASP . 128 A 128 A 129 1 n VAL . 129 A 129 A 130 1 n THR . 130 A 130 A 131 1 n GLN . 131 A 131 A 132 1 n THR . 132 A 132 A 133 1 n ASP . 133 A 133 A 134 1 n ILE . 134 A 134 # _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 ? -44.152 -36.975 35.571 1.00 20.86 1 A 1 ATOM 2 C CA . MET A 1 1 ? -43.929 -35.694 34.878 1.00 35.74 1 A 1 ATOM 3 C C . MET A 1 1 ? -42.431 -35.430 34.868 1.00 36.26 1 A 1 ATOM 4 O O . MET A 1 1 ? -41.874 -35.151 35.917 1.00 34.96 1 A 1 ATOM 5 C CB . MET A 1 1 ? -44.667 -34.538 35.578 1.00 33.73 1 A 1 ATOM 6 C CG . MET A 1 1 ? -46.162 -34.505 35.252 1.00 28.77 1 A 1 ATOM 7 S SD . MET A 1 1 ? -47.033 -33.190 36.141 1.00 26.71 1 A 1 ATOM 8 C CE . MET A 1 1 ? -48.629 -33.195 35.290 1.00 20.59 1 A 1 ATOM 9 N N . LEU A 1 2 ? -41.771 -35.612 33.727 1.00 25.27 2 A 1 ATOM 10 C CA . LEU A 1 2 ? -40.355 -35.291 33.520 1.00 33.19 2 A 1 ATOM 11 C C . LEU A 1 2 ? -40.307 -34.128 32.529 1.00 32.05 2 A 1 ATOM 12 O O . LEU A 1 2 ? -40.741 -34.277 31.388 1.00 31.77 2 A 1 ATOM 13 C CB . LEU A 1 2 ? -39.591 -36.534 33.009 1.00 33.01 2 A 1 ATOM 14 C CG . LEU A 1 2 ? -39.151 -37.498 34.128 1.00 29.39 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? -38.915 -38.908 33.583 1.00 27.81 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? -37.857 -37.019 34.796 1.00 29.00 2 A 1 ATOM 17 N N . ALA A 1 3 ? -39.858 -32.967 33.006 1.00 31.72 3 A 1 ATOM 18 C CA . ALA A 1 3 ? -39.676 -31.785 32.170 1.00 40.95 3 A 1 ATOM 19 C C . ALA A 1 3 ? -38.310 -31.868 31.474 1.00 39.44 3 A 1 ATOM 20 O O . ALA A 1 3 ? -37.269 -31.838 32.124 1.00 37.19 3 A 1 ATOM 21 C CB . ALA A 1 3 ? -39.823 -30.528 33.039 1.00 40.20 3 A 1 ATOM 22 N N . THR A 1 4 ? -38.340 -31.999 30.162 1.00 30.28 4 A 1 ATOM 23 C CA . THR A 1 4 ? -37.149 -31.922 29.312 1.00 37.29 4 A 1 ATOM 24 C C . THR A 1 4 ? -36.749 -30.454 29.150 1.00 36.23 4 A 1 ATOM 25 O O . THR A 1 4 ? -37.449 -29.692 28.489 1.00 35.24 4 A 1 ATOM 26 C CB . THR A 1 4 ? -37.429 -32.570 27.944 1.00 36.67 4 A 1 ATOM 27 O OG1 . THR A 1 4 ? -37.997 -33.850 28.128 1.00 31.52 4 A 1 ATOM 28 C CG2 . THR A 1 4 ? -36.171 -32.763 27.108 1.00 33.30 4 A 1 ATOM 29 N N . LEU A 1 5 ? -35.626 -30.055 29.761 1.00 27.62 5 A 1 ATOM 30 C CA . LEU A 1 5 ? -34.993 -28.766 29.476 1.00 36.72 5 A 1 ATOM 31 C C . LEU A 1 5 ? -34.358 -28.819 28.079 1.00 36.86 5 A 1 ATOM 32 O O . LEU A 1 5 ? -33.323 -29.451 27.877 1.00 35.55 5 A 1 ATOM 33 C CB . LEU A 1 5 ? -33.950 -28.417 30.560 1.00 34.78 5 A 1 ATOM 34 C CG . LEU A 1 5 ? -34.467 -27.457 31.650 1.00 30.40 5 A 1 ATOM 35 C CD1 . LEU A 1 5 ? -34.474 -28.115 33.030 1.00 28.47 5 A 1 ATOM 36 C CD2 . LEU A 1 5 ? -33.590 -26.201 31.725 1.00 29.95 5 A 1 ATOM 37 N N . GLN A 1 6 ? -34.975 -28.147 27.118 1.00 31.96 6 A 1 ATOM 38 C CA . GLN A 1 6 ? -34.326 -27.798 25.855 1.00 38.04 6 A 1 ATOM 39 C C . GLN A 1 6 ? -33.454 -26.557 26.080 1.00 38.65 6 A 1 ATOM 40 O O . GLN A 1 6 ? -33.957 -25.490 26.413 1.00 37.05 6 A 1 ATOM 41 C CB . GLN A 1 6 ? -35.374 -27.550 24.757 1.00 37.72 6 A 1 ATOM 42 C CG . GLN A 1 6 ? -35.999 -28.859 24.242 1.00 34.46 6 A 1 ATOM 43 C CD . GLN A 1 6 ? -37.003 -28.635 23.111 1.00 30.98 6 A 1 ATOM 44 O OE1 . GLN A 1 6 ? -37.664 -27.617 23.008 1.00 30.58 6 A 1 ATOM 45 N NE2 . GLN A 1 6 ? -37.176 -29.584 22.221 1.00 31.09 6 A 1 ATOM 46 N N . HIS A 1 7 ? -32.140 -26.705 25.907 1.00 33.83 7 A 1 ATOM 47 C CA . HIS A 1 7 ? -31.224 -25.572 25.799 1.00 41.04 7 A 1 ATOM 48 C C . HIS A 1 7 ? -31.232 -25.042 24.356 1.00 40.00 7 A 1 ATOM 49 O O . HIS A 1 7 ? -30.782 -25.760 23.460 1.00 38.38 7 A 1 ATOM 50 C CB . HIS A 1 7 ? -29.801 -26.010 26.190 1.00 39.82 7 A 1 ATOM 51 C CG . HIS A 1 7 ? -29.548 -26.033 27.679 1.00 35.44 7 A 1 ATOM 52 N ND1 . HIS A 1 7 ? -29.217 -24.940 28.445 1.00 32.48 7 A 1 ATOM 53 C CD2 . HIS A 1 7 ? -29.552 -27.120 28.504 1.00 30.45 7 A 1 ATOM 54 C CE1 . HIS A 1 7 ? -29.023 -25.362 29.708 1.00 30.46 7 A 1 ATOM 55 N NE2 . HIS A 1 7 ? -29.215 -26.683 29.793 1.00 30.96 7 A 1 ATOM 56 N N . PRO A 1 8 ? -31.663 -23.804 24.098 1.00 33.59 8 A 1 ATOM 57 C CA . PRO A 1 8 ? -31.359 -23.131 22.846 1.00 41.25 8 A 1 ATOM 58 C C . PRO A 1 8 ? -30.101 -22.288 23.051 1.00 42.39 8 A 1 ATOM 59 O O . PRO A 1 8 ? -30.161 -21.174 23.558 1.00 39.88 8 A 1 ATOM 60 C CB . PRO A 1 8 ? -32.610 -22.303 22.547 1.00 38.28 8 A 1 ATOM 61 C CG . PRO A 1 8 ? -33.104 -21.906 23.943 1.00 36.84 8 A 1 ATOM 62 C CD . PRO A 1 8 ? -32.532 -22.966 24.896 1.00 41.79 8 A 1 ATOM 63 N N . THR A 1 9 ? -28.948 -22.818 22.671 1.00 37.84 9 A 1 ATOM 64 C CA . THR A 1 9 ? -27.740 -21.984 22.567 1.00 44.50 9 A 1 ATOM 65 C C . THR A 1 9 ? -27.152 -22.148 21.177 1.00 44.21 9 A 1 ATOM 66 O O . THR A 1 9 ? -26.098 -22.737 20.970 1.00 41.13 9 A 1 ATOM 67 C CB . THR A 1 9 ? -26.720 -22.206 23.701 1.00 42.64 9 A 1 ATOM 68 O OG1 . THR A 1 9 ? -27.363 -22.501 24.913 1.00 37.17 9 A 1 ATOM 69 C CG2 . THR A 1 9 ? -25.914 -20.933 23.951 1.00 38.04 9 A 1 ATOM 70 N N . ALA A 1 10 ? -27.882 -21.640 20.198 1.00 35.64 10 A 1 ATOM 71 C CA . ALA A 1 10 ? -27.283 -21.248 18.938 1.00 42.17 10 A 1 ATOM 72 C C . ALA A 1 10 ? -26.451 -19.991 19.224 1.00 42.72 10 A 1 ATOM 73 O O . ALA A 1 10 ? -26.993 -18.904 19.411 1.00 41.10 10 A 1 ATOM 74 C CB . ALA A 1 10 ? -28.393 -21.016 17.900 1.00 40.90 10 A 1 ATOM 75 N N . TRP A 1 11 ? -25.128 -20.153 19.301 1.00 42.81 11 A 1 ATOM 76 C CA . TRP A 1 11 ? -24.193 -19.033 19.331 1.00 44.08 11 A 1 ATOM 77 C C . TRP A 1 11 ? -24.217 -18.348 17.960 1.00 44.98 11 A 1 ATOM 78 O O . TRP A 1 11 ? -23.370 -18.594 17.112 1.00 42.41 11 A 1 ATOM 79 C CB . TRP A 1 11 ? -22.793 -19.530 19.712 1.00 41.83 11 A 1 ATOM 80 C CG . TRP A 1 11 ? -22.627 -19.976 21.133 1.00 38.37 11 A 1 ATOM 81 C CD1 . TRP A 1 11 ? -22.814 -21.229 21.599 1.00 33.89 11 A 1 ATOM 82 C CD2 . TRP A 1 11 ? -22.225 -19.175 22.289 1.00 34.94 11 A 1 ATOM 83 N NE1 . TRP A 1 11 ? -22.557 -21.266 22.956 1.00 31.61 11 A 1 ATOM 84 C CE2 . TRP A 1 11 ? -22.184 -20.029 23.436 1.00 33.45 11 A 1 ATOM 85 C CE3 . TRP A 1 11 ? -21.875 -17.819 22.479 1.00 35.97 11 A 1 ATOM 86 C CZ2 . TRP A 1 11 ? -21.817 -19.562 24.707 1.00 35.27 11 A 1 ATOM 87 C CZ3 . TRP A 1 11 ? -21.509 -17.344 23.755 1.00 33.76 11 A 1 ATOM 88 C CH2 . TRP A 1 11 ? -21.477 -18.206 24.866 1.00 34.12 11 A 1 ATOM 89 N N . GLN A 1 12 ? -25.219 -17.514 17.728 1.00 42.00 12 A 1 ATOM 90 C CA . GLN A 1 12 ? -25.146 -16.506 16.680 1.00 47.15 12 A 1 ATOM 91 C C . GLN A 1 12 ? -24.174 -15.435 17.174 1.00 47.76 12 A 1 ATOM 92 O O . GLN A 1 12 ? -24.506 -14.613 18.022 1.00 46.72 12 A 1 ATOM 93 C CB . GLN A 1 12 ? -26.541 -15.946 16.354 1.00 46.39 12 A 1 ATOM 94 C CG . GLN A 1 12 ? -27.289 -16.868 15.373 1.00 42.74 12 A 1 ATOM 95 C CD . GLN A 1 12 ? -28.702 -16.395 15.056 1.00 39.19 12 A 1 ATOM 96 O OE1 . GLN A 1 12 ? -29.406 -15.833 15.872 1.00 36.76 12 A 1 ATOM 97 N NE2 . GLN A 1 12 ? -29.192 -16.632 13.861 1.00 36.65 12 A 1 ATOM 98 N N . LEU A 1 13 ? -22.941 -15.500 16.673 1.00 35.81 13 A 1 ATOM 99 C CA . LEU A 1 13 ? -22.011 -14.385 16.800 1.00 41.41 13 A 1 ATOM 100 C C . LEU A 1 13 ? -22.701 -13.147 16.208 1.00 41.27 13 A 1 ATOM 101 O O . LEU A 1 13 ? -23.247 -13.242 15.104 1.00 39.68 13 A 1 ATOM 102 C CB . LEU A 1 13 ? -20.701 -14.708 16.058 1.00 40.13 13 A 1 ATOM 103 C CG . LEU A 1 13 ? -19.830 -15.767 16.758 1.00 37.22 13 A 1 ATOM 104 C CD1 . LEU A 1 13 ? -18.724 -16.242 15.814 1.00 35.68 13 A 1 ATOM 105 C CD2 . LEU A 1 13 ? -19.171 -15.216 18.024 1.00 38.47 13 A 1 ATOM 106 N N . PRO A 1 14 ? -22.725 -12.016 16.915 1.00 44.81 14 A 1 ATOM 107 C CA . PRO A 1 14 ? -23.351 -10.813 16.392 1.00 50.90 14 A 1 ATOM 108 C C . PRO A 1 14 ? -22.666 -10.409 15.082 1.00 52.49 14 A 1 ATOM 109 O O . PRO A 1 14 ? -21.436 -10.440 15.001 1.00 49.88 14 A 1 ATOM 110 C CB . PRO A 1 14 ? -23.211 -9.759 17.500 1.00 48.50 14 A 1 ATOM 111 C CG . PRO A 1 14 ? -22.031 -10.255 18.335 1.00 47.02 14 A 1 ATOM 112 C CD . PRO A 1 14 ? -22.103 -11.772 18.204 1.00 52.71 14 A 1 ATOM 113 N N . ASP A 1 15 ? -23.453 -9.983 14.089 1.00 43.96 15 A 1 ATOM 114 C CA . ASP A 1 15 ? -22.983 -9.548 12.755 1.00 48.74 15 A 1 ATOM 115 C C . ASP A 1 15 ? -21.817 -8.536 12.813 1.00 48.28 15 A 1 ATOM 116 O O . ASP A 1 15 ? -20.990 -8.454 11.904 1.00 47.14 15 A 1 ATOM 117 C CB . ASP A 1 15 ? -24.164 -8.923 11.994 1.00 48.89 15 A 1 ATOM 118 C CG . ASP A 1 15 ? -25.270 -9.929 11.646 1.00 44.56 15 A 1 ATOM 119 O OD1 . ASP A 1 15 ? -24.920 -11.055 11.240 1.00 42.40 15 A 1 ATOM 120 O OD2 . ASP A 1 15 ? -26.450 -9.556 11.811 1.00 41.58 15 A 1 ATOM 121 N N . ARG A 1 16 ? -21.670 -7.833 13.933 1.00 41.68 16 A 1 ATOM 122 C CA . ARG A 1 16 ? -20.537 -6.949 14.238 1.00 43.11 16 A 1 ATOM 123 C C . ARG A 1 16 ? -19.176 -7.661 14.303 1.00 43.90 16 A 1 ATOM 124 O O . ARG A 1 16 ? -18.171 -7.028 14.003 1.00 43.71 16 A 1 ATOM 125 C CB . ARG A 1 16 ? -20.809 -6.203 15.555 1.00 41.61 16 A 1 ATOM 126 C CG . ARG A 1 16 ? -21.143 -4.730 15.311 1.00 36.66 16 A 1 ATOM 127 C CD . ARG A 1 16 ? -21.335 -4.000 16.634 1.00 35.01 16 A 1 ATOM 128 N NE . ARG A 1 16 ? -21.433 -2.542 16.427 1.00 31.59 16 A 1 ATOM 129 C CZ . ARG A 1 16 ? -21.401 -1.615 17.370 1.00 29.77 16 A 1 ATOM 130 N NH1 . ARG A 1 16 ? -21.318 -1.918 18.636 1.00 28.45 16 A 1 ATOM 131 N NH2 . ARG A 1 16 ? -21.450 -0.348 17.054 1.00 28.46 16 A 1 ATOM 132 N N . LEU A 1 17 ? -19.120 -8.935 14.702 1.00 39.87 17 A 1 ATOM 133 C CA . LEU A 1 17 ? -17.873 -9.710 14.755 1.00 42.59 17 A 1 ATOM 134 C C . LEU A 1 17 ? -17.481 -10.263 13.378 1.00 43.31 17 A 1 ATOM 135 O O . LEU A 1 17 ? -16.291 -10.333 13.085 1.00 42.20 17 A 1 ATOM 136 C CB . LEU A 1 17 ? -17.987 -10.814 15.821 1.00 41.51 17 A 1 ATOM 137 C CG . LEU A 1 17 ? -17.632 -10.316 17.235 1.00 37.61 17 A 1 ATOM 138 C CD1 . LEU A 1 17 ? -18.190 -11.251 18.300 1.00 35.77 17 A 1 ATOM 139 C CD2 . LEU A 1 17 ? -16.118 -10.236 17.439 1.00 38.55 17 A 1 ATOM 140 N N . MET A 1 18 ? -18.443 -10.556 12.498 1.00 37.36 18 A 1 ATOM 141 C CA . MET A 1 18 ? -18.143 -10.874 11.090 1.00 39.52 18 A 1 ATOM 142 C C . MET A 1 18 ? -17.635 -9.655 10.308 1.00 41.02 18 A 1 ATOM 143 O O . MET A 1 18 ? -16.840 -9.802 9.382 1.00 40.57 18 A 1 ATOM 144 C CB . MET A 1 18 ? -19.374 -11.469 10.399 1.00 39.14 18 A 1 ATOM 145 C CG . MET A 1 18 ? -19.574 -12.947 10.753 1.00 33.98 18 A 1 ATOM 146 S SD . MET A 1 18 ? -20.262 -13.920 9.394 1.00 31.63 18 A 1 ATOM 147 C CE . MET A 1 18 ? -20.017 -15.586 10.032 1.00 28.79 18 A 1 ATOM 148 N N . LEU A 1 19 ? -18.018 -8.450 10.709 1.00 39.91 19 A 1 ATOM 149 C CA . LEU A 1 19 ? -17.516 -7.215 10.093 1.00 40.24 19 A 1 ATOM 150 C C . LEU A 1 19 ? -16.031 -6.937 10.401 1.00 41.89 19 A 1 ATOM 151 O O . LEU A 1 19 ? -15.371 -6.225 9.645 1.00 40.96 19 A 1 ATOM 152 C CB . LEU A 1 19 ? -18.405 -6.030 10.530 1.00 37.65 19 A 1 ATOM 153 C CG . LEU A 1 19 ? -18.729 -5.077 9.368 1.00 32.78 19 A 1 ATOM 154 C CD1 . LEU A 1 19 ? -19.962 -5.562 8.599 1.00 30.30 19 A 1 ATOM 155 C CD2 . LEU A 1 19 ? -19.024 -3.671 9.887 1.00 31.94 19 A 1 ATOM 156 N N . LEU A 1 20 ? -15.490 -7.504 11.488 1.00 37.30 20 A 1 ATOM 157 C CA . LEU A 1 20 ? -14.078 -7.343 11.870 1.00 38.27 20 A 1 ATOM 158 C C . LEU A 1 20 ? -13.116 -8.185 11.016 1.00 39.25 20 A 1 ATOM 159 O O . LEU A 1 20 ? -11.958 -7.805 10.869 1.00 38.39 20 A 1 ATOM 160 C CB . LEU A 1 20 ? -13.926 -7.637 13.378 1.00 35.48 20 A 1 ATOM 161 C CG . LEU A 1 20 ? -14.155 -6.389 14.251 1.00 31.55 20 A 1 ATOM 162 C CD1 . LEU A 1 20 ? -14.601 -6.781 15.656 1.00 29.07 20 A 1 ATOM 163 C CD2 . LEU A 1 20 ? -12.879 -5.558 14.374 1.00 31.28 20 A 1 ATOM 164 N N . GLU A 1 21 ? -13.569 -9.280 10.400 1.00 33.16 21 A 1 ATOM 165 C CA . GLU A 1 21 ? -12.752 -10.046 9.439 1.00 34.48 21 A 1 ATOM 166 C C . GLU A 1 21 ? -12.698 -9.407 8.041 1.00 35.75 21 A 1 ATOM 167 O O . GLU A 1 21 ? -11.838 -9.761 7.229 1.00 34.94 21 A 1 ATOM 168 C CB . GLU A 1 21 ? -13.227 -11.501 9.345 1.00 33.40 21 A 1 ATOM 169 C CG . GLU A 1 21 ? -12.898 -12.316 10.606 1.00 29.72 21 A 1 ATOM 170 C CD . GLU A 1 21 ? -12.928 -13.830 10.349 1.00 27.07 21 A 1 ATOM 171 O OE1 . GLU A 1 21 ? -12.140 -14.539 11.013 1.00 25.43 21 A 1 ATOM 172 O OE2 . GLU A 1 21 ? -13.688 -14.269 9.459 1.00 27.24 21 A 1 ATOM 173 N N . LEU A 1 22 ? -13.564 -8.433 7.753 1.00 35.54 22 A 1 ATOM 174 C CA . LEU A 1 22 ? -13.617 -7.725 6.468 1.00 35.74 22 A 1 ATOM 175 C C . LEU A 1 22 ? -12.733 -6.463 6.414 1.00 37.07 22 A 1 ATOM 176 O O . LEU A 1 22 ? -12.718 -5.767 5.400 1.00 35.30 22 A 1 ATOM 177 C CB . LEU A 1 22 ? -15.091 -7.461 6.095 1.00 32.29 22 A 1 ATOM 178 C CG . LEU A 1 22 ? -15.318 -7.349 4.578 1.00 28.46 22 A 1 ATOM 179 C CD1 . LEU A 1 22 ? -15.268 -8.714 3.894 1.00 26.20 22 A 1 ATOM 180 C CD2 . LEU A 1 22 ? -16.685 -6.732 4.293 1.00 27.87 22 A 1 ATOM 181 N N . LEU A 1 23 ? -11.953 -6.180 7.453 1.00 40.57 23 A 1 ATOM 182 C CA . LEU A 1 23 ? -10.848 -5.222 7.368 1.00 41.16 23 A 1 ATOM 183 C C . LEU A 1 23 ? -9.664 -5.883 6.646 1.00 42.83 23 A 1 ATOM 184 O O . LEU A 1 23 ? -8.588 -6.088 7.198 1.00 40.55 23 A 1 ATOM 185 C CB . LEU A 1 23 ? -10.503 -4.651 8.763 1.00 36.65 23 A 1 ATOM 186 C CG . LEU A 1 23 ? -11.494 -3.577 9.247 1.00 32.37 23 A 1 ATOM 187 C CD1 . LEU A 1 23 ? -11.396 -3.411 10.759 1.00 29.60 23 A 1 ATOM 188 C CD2 . LEU A 1 23 ? -11.208 -2.212 8.611 1.00 30.12 23 A 1 ATOM 189 N N . MET A 1 24 ? -9.853 -6.222 5.367 1.00 47.85 24 A 1 ATOM 190 C CA . MET A 1 24 ? -8.759 -6.182 4.407 1.00 48.00 24 A 1 ATOM 191 C C . MET A 1 24 ? -8.205 -4.768 4.495 1.00 50.91 24 A 1 ATOM 192 O O . MET A 1 24 ? -8.810 -3.835 3.981 1.00 48.83 24 A 1 ATOM 193 C CB . MET A 1 24 ? -9.252 -6.462 2.977 1.00 44.31 24 A 1 ATOM 194 C CG . MET A 1 24 ? -9.458 -7.945 2.700 1.00 37.92 24 A 1 ATOM 195 S SD . MET A 1 24 ? -9.951 -8.328 0.989 1.00 34.93 24 A 1 ATOM 196 C CE . MET A 1 24 ? -8.583 -7.625 0.044 1.00 31.07 24 A 1 ATOM 197 N N . PHE A 1 25 ? -7.094 -4.600 5.205 1.00 60.20 25 A 1 ATOM 198 C CA . PHE A 1 25 ? -6.418 -3.323 5.355 1.00 61.36 25 A 1 ATOM 199 C C . PHE A 1 25 ? -6.173 -2.770 3.947 1.00 64.54 25 A 1 ATOM 200 O O . PHE A 1 25 ? -5.364 -3.311 3.189 1.00 61.10 25 A 1 ATOM 201 C CB . PHE A 1 25 ? -5.130 -3.547 6.160 1.00 55.91 25 A 1 ATOM 202 C CG . PHE A 1 25 ? -4.495 -2.277 6.693 1.00 50.72 25 A 1 ATOM 203 C CD1 . PHE A 1 25 ? -3.508 -1.602 5.955 1.00 47.07 25 A 1 ATOM 204 C CD2 . PHE A 1 25 ? -4.882 -1.785 7.954 1.00 45.75 25 A 1 ATOM 205 C CE1 . PHE A 1 25 ? -2.904 -0.444 6.478 1.00 39.96 25 A 1 ATOM 206 C CE2 . PHE A 1 25 ? -4.280 -0.629 8.476 1.00 41.02 25 A 1 ATOM 207 C CZ . PHE A 1 25 ? -3.288 0.042 7.742 1.00 41.06 25 A 1 ATOM 208 N N . ASP A 1 26 ? -6.955 -1.761 3.564 1.00 70.60 26 A 1 ATOM 209 C CA . ASP A 1 26 ? -6.848 -1.163 2.245 1.00 74.54 26 A 1 ATOM 210 C C . ASP A 1 26 ? -5.669 -0.197 2.272 1.00 78.55 26 A 1 ATOM 211 O O . ASP A 1 26 ? -5.788 0.982 2.603 1.00 77.56 26 A 1 ATOM 212 C CB . ASP A 1 26 ? -8.166 -0.512 1.800 1.00 68.81 26 A 1 ATOM 213 C CG . ASP A 1 26 ? -8.105 -0.069 0.329 1.00 60.11 26 A 1 ATOM 214 O OD1 . ASP A 1 26 ? -6.987 -0.015 -0.248 1.00 57.41 26 A 1 ATOM 215 O OD2 . ASP A 1 26 ? -9.178 0.212 -0.240 1.00 54.81 26 A 1 ATOM 216 N N . TYR A 1 27 ? -4.502 -0.743 1.939 1.00 79.20 27 A 1 ATOM 217 C CA . TYR A 1 27 ? -3.254 0.010 1.903 1.00 81.42 27 A 1 ATOM 218 C C . TYR A 1 27 ? -3.346 1.247 1.007 1.00 84.68 27 A 1 ATOM 219 O O . TYR A 1 27 ? -2.688 2.236 1.302 1.00 82.62 27 A 1 ATOM 220 C CB . TYR A 1 27 ? -2.125 -0.912 1.426 1.00 76.76 27 A 1 ATOM 221 C CG . TYR A 1 27 ? -1.884 -2.102 2.335 1.00 70.76 27 A 1 ATOM 222 C CD1 . TYR A 1 27 ? -1.380 -1.893 3.633 1.00 65.38 27 A 1 ATOM 223 C CD2 . TYR A 1 27 ? -2.178 -3.410 1.901 1.00 63.51 27 A 1 ATOM 224 C CE1 . TYR A 1 27 ? -1.165 -2.986 4.493 1.00 56.70 27 A 1 ATOM 225 C CE2 . TYR A 1 27 ? -1.964 -4.506 2.758 1.00 58.31 27 A 1 ATOM 226 C CZ . TYR A 1 27 ? -1.451 -4.295 4.054 1.00 56.70 27 A 1 ATOM 227 O OH . TYR A 1 27 ? -1.223 -5.351 4.885 1.00 55.55 27 A 1 ATOM 228 N N . ARG A 1 28 ? -4.176 1.229 -0.041 1.00 80.71 28 A 1 ATOM 229 C CA . ARG A 1 28 ? -4.324 2.372 -0.950 1.00 81.81 28 A 1 ATOM 230 C C . ARG A 1 28 ? -5.012 3.543 -0.264 1.00 84.94 28 A 1 ATOM 231 O O . ARG A 1 28 ? -4.516 4.662 -0.355 1.00 83.75 28 A 1 ATOM 232 C CB . ARG A 1 28 ? -5.119 1.983 -2.200 1.00 78.09 28 A 1 ATOM 233 C CG . ARG A 1 28 ? -4.390 0.952 -3.061 1.00 67.69 28 A 1 ATOM 234 C CD . ARG A 1 28 ? -5.267 0.634 -4.272 1.00 64.30 28 A 1 ATOM 235 N NE . ARG A 1 28 ? -4.593 -0.305 -5.191 1.00 57.12 28 A 1 ATOM 236 C CZ . ARG A 1 28 ? -5.132 -0.821 -6.281 1.00 50.07 28 A 1 ATOM 237 N NH1 . ARG A 1 28 ? -6.362 -0.550 -6.628 1.00 47.52 28 A 1 ATOM 238 N NH2 . ARG A 1 28 ? -4.443 -1.614 -7.048 1.00 44.59 28 A 1 ATOM 239 N N . ASN A 1 29 ? -6.103 3.274 0.445 1.00 83.21 29 A 1 ATOM 240 C CA . ASN A 1 29 ? -6.795 4.315 1.199 1.00 84.50 29 A 1 ATOM 241 C C . ASN A 1 29 ? -5.921 4.826 2.345 1.00 87.30 29 A 1 ATOM 242 O O . ASN A 1 29 ? -5.779 6.033 2.512 1.00 86.21 29 A 1 ATOM 243 C CB . ASN A 1 29 ? -8.147 3.778 1.691 1.00 80.67 29 A 1 ATOM 244 C CG . ASN A 1 29 ? -9.132 3.549 0.555 1.00 71.23 29 A 1 ATOM 245 O OD1 . ASN A 1 29 ? -9.070 4.154 -0.499 1.00 65.15 29 A 1 ATOM 246 N ND2 . ASN A 1 29 ? -10.070 2.653 0.728 1.00 62.88 29 A 1 ATOM 247 N N . SER A 1 30 ? -5.238 3.921 3.064 1.00 86.95 30 A 1 ATOM 248 C CA . SER A 1 30 ? -4.302 4.314 4.120 1.00 87.82 30 A 1 ATOM 249 C C . SER A 1 30 ? -3.140 5.166 3.595 1.00 90.65 30 A 1 ATOM 250 O O . SER A 1 30 ? -2.763 6.152 4.227 1.00 90.51 30 A 1 ATOM 251 C CB . SER A 1 30 ? -3.756 3.072 4.821 1.00 83.70 30 A 1 ATOM 252 O OG . SER A 1 30 ? -2.924 3.448 5.906 1.00 68.79 30 A 1 ATOM 253 N N . ASP A 1 31 ? -2.565 4.816 2.440 1.00 89.59 31 A 1 ATOM 254 C CA . ASP A 1 31 ? -1.497 5.596 1.814 1.00 91.39 31 A 1 ATOM 255 C C . ASP A 1 31 ? -2.011 6.966 1.360 1.00 92.97 31 A 1 ATOM 256 O O . ASP A 1 31 ? -1.339 7.970 1.578 1.00 93.01 31 A 1 ATOM 257 C CB . ASP A 1 31 ? -0.901 4.834 0.615 1.00 90.38 31 A 1 ATOM 258 C CG . ASP A 1 31 ? -0.063 3.606 0.975 1.00 88.89 31 A 1 ATOM 259 O OD1 . ASP A 1 31 ? 0.392 3.445 2.129 1.00 85.49 31 A 1 ATOM 260 O OD2 . ASP A 1 31 ? 0.188 2.777 0.067 1.00 84.93 31 A 1 ATOM 261 N N . GLN A 1 32 ? -3.215 7.028 0.787 1.00 92.47 32 A 1 ATOM 262 C CA . GLN A 1 32 ? -3.828 8.284 0.363 1.00 92.57 32 A 1 ATOM 263 C C . GLN A 1 32 ? -4.108 9.218 1.549 1.00 93.44 32 A 1 ATOM 264 O O . GLN A 1 32 ? -3.829 10.414 1.463 1.00 92.84 32 A 1 ATOM 265 C CB . GLN A 1 32 ? -5.099 7.971 -0.436 1.00 90.93 32 A 1 ATOM 266 C CG . GLN A 1 32 ? -5.761 9.249 -0.970 1.00 82.08 32 A 1 ATOM 267 C CD . GLN A 1 32 ? -6.923 8.980 -1.919 1.00 75.48 32 A 1 ATOM 268 O OE1 . GLN A 1 32 ? -7.109 7.911 -2.471 1.00 69.34 32 A 1 ATOM 269 N NE2 . GLN A 1 32 ? -7.743 9.971 -2.181 1.00 64.39 32 A 1 ATOM 270 N N . GLU A 1 33 ? -4.609 8.692 2.662 1.00 91.99 33 A 1 ATOM 271 C CA . GLU A 1 33 ? -4.822 9.475 3.886 1.00 91.75 33 A 1 ATOM 272 C C . GLU A 1 33 ? -3.505 9.992 4.482 1.00 92.55 33 A 1 ATOM 273 O O . GLU A 1 33 ? -3.435 11.108 4.986 1.00 91.97 33 A 1 ATOM 274 C CB . GLU A 1 33 ? -5.537 8.606 4.928 1.00 90.38 33 A 1 ATOM 275 C CG . GLU A 1 33 ? -7.017 8.368 4.591 1.00 83.21 33 A 1 ATOM 276 C CD . GLU A 1 33 ? -7.702 7.383 5.558 1.00 75.10 33 A 1 ATOM 277 O OE1 . GLU A 1 33 ? -8.896 7.096 5.327 1.00 67.84 33 A 1 ATOM 278 O OE2 . GLU A 1 33 ? -7.043 6.930 6.525 1.00 67.08 33 A 1 ATOM 279 N N . ARG A 1 34 ? -2.438 9.176 4.415 1.00 94.59 34 A 1 ATOM 280 C CA . ARG A 1 34 ? -1.158 9.471 5.071 1.00 94.49 34 A 1 ATOM 281 C C . ARG A 1 34 ? -0.214 10.328 4.235 1.00 95.36 34 A 1 ATOM 282 O O . ARG A 1 34 ? 0.579 11.082 4.806 1.00 94.30 34 A 1 ATOM 283 C CB . ARG A 1 34 ? -0.521 8.131 5.456 1.00 92.45 34 A 1 ATOM 284 C CG . ARG A 1 34 ? 0.720 8.315 6.332 1.00 82.42 34 A 1 ATOM 285 C CD . ARG A 1 34 ? 1.241 6.944 6.754 1.00 81.15 34 A 1 ATOM 286 N NE . ARG A 1 34 ? 2.405 7.067 7.657 1.00 71.25 34 A 1 ATOM 287 C CZ . ARG A 1 34 ? 3.214 6.082 7.997 1.00 65.87 34 A 1 ATOM 288 N NH1 . ARG A 1 34 ? 3.058 4.874 7.533 1.00 61.47 34 A 1 ATOM 289 N NH2 . ARG A 1 34 ? 4.199 6.292 8.821 1.00 56.21 34 A 1 ATOM 290 N N . TYR A 1 35 ? -0.245 10.167 2.912 1.00 96.04 35 A 1 ATOM 291 C CA . TYR A 1 35 ? 0.728 10.748 1.982 1.00 96.39 35 A 1 ATOM 292 C C . TYR A 1 35 ? 0.091 11.601 0.879 1.00 96.83 35 A 1 ATOM 293 O O . TYR A 1 35 ? 0.809 12.159 0.051 1.00 95.93 35 A 1 ATOM 294 C CB . TYR A 1 35 ? 1.582 9.619 1.388 1.00 95.98 35 A 1 ATOM 295 C CG . TYR A 1 35 ? 2.257 8.703 2.393 1.00 95.51 35 A 1 ATOM 296 C CD1 . TYR A 1 35 ? 3.221 9.215 3.285 1.00 92.85 35 A 1 ATOM 297 C CD2 . TYR A 1 35 ? 1.947 7.329 2.418 1.00 93.14 35 A 1 ATOM 298 C CE1 . TYR A 1 35 ? 3.874 8.359 4.189 1.00 91.99 35 A 1 ATOM 299 C CE2 . TYR A 1 35 ? 2.600 6.471 3.320 1.00 91.95 35 A 1 ATOM 300 C CZ . TYR A 1 35 ? 3.568 6.983 4.205 1.00 92.05 35 A 1 ATOM 301 O OH . TYR A 1 35 ? 4.210 6.155 5.071 1.00 90.12 35 A 1 ATOM 302 N N . GLY A 1 36 ? -1.237 11.721 0.854 1.00 96.34 36 A 1 ATOM 303 C CA . GLY A 1 36 ? -1.961 12.468 -0.159 1.00 96.47 36 A 1 ATOM 304 C C . GLY A 1 36 ? -2.207 11.679 -1.445 1.00 96.77 36 A 1 ATOM 305 O O . GLY A 1 36 ? -2.130 10.449 -1.490 1.00 96.10 36 A 1 ATOM 306 N N . GLN A 1 37 ? -2.543 12.396 -2.519 1.00 96.47 37 A 1 ATOM 307 C CA . GLN A 1 37 ? -2.955 11.800 -3.784 1.00 96.31 37 A 1 ATOM 308 C C . GLN A 1 37 ? -1.817 11.003 -4.429 1.00 96.70 37 A 1 ATOM 309 O O . GLN A 1 37 ? -0.706 11.499 -4.584 1.00 96.23 37 A 1 ATOM 310 C CB . GLN A 1 37 ? -3.464 12.906 -4.714 1.00 95.24 37 A 1 ATOM 311 C CG . GLN A 1 37 ? -4.023 12.339 -6.026 1.00 86.23 37 A 1 ATOM 312 C CD . GLN A 1 37 ? -4.627 13.398 -6.941 1.00 78.36 37 A 1 ATOM 313 O OE1 . GLN A 1 37 ? -4.657 14.580 -6.669 1.00 71.29 37 A 1 ATOM 314 N NE2 . GLN A 1 37 ? -5.153 13.000 -8.080 1.00 66.05 37 A 1 ATOM 315 N N . GLN A 1 38 ? -2.125 9.787 -4.890 1.00 95.50 38 A 1 ATOM 316 C CA . GLN A 1 38 ? -1.196 9.005 -5.703 1.00 95.56 38 A 1 ATOM 317 C C . GLN A 1 38 ? -1.069 9.623 -7.099 1.00 95.61 38 A 1 ATOM 318 O O . GLN A 1 38 ? -2.043 9.689 -7.845 1.00 94.85 38 A 1 ATOM 319 C CB . GLN A 1 38 ? -1.667 7.545 -5.767 1.00 94.67 38 A 1 ATOM 320 C CG . GLN A 1 38 ? -0.598 6.626 -6.373 1.00 93.23 38 A 1 ATOM 321 C CD . GLN A 1 38 ? -1.152 5.215 -6.574 1.00 91.93 38 A 1 ATOM 322 O OE1 . GLN A 1 38 ? -1.173 4.367 -5.700 1.00 87.16 38 A 1 ATOM 323 N NE2 . GLN A 1 38 ? -1.645 4.908 -7.746 1.00 85.94 38 A 1 ATOM 324 N N . ILE A 1 39 ? 0.149 10.027 -7.461 1.00 96.64 39 A 1 ATOM 325 C CA . ILE A 1 39 ? 0.464 10.674 -8.748 1.00 96.51 39 A 1 ATOM 326 C C . ILE A 1 39 ? 1.274 9.777 -9.694 1.00 96.66 39 A 1 ATOM 327 O O . ILE A 1 39 ? 1.373 10.056 -10.882 1.00 96.15 39 A 1 ATOM 328 C CB . ILE A 1 39 ? 1.165 12.028 -8.516 1.00 96.33 39 A 1 ATOM 329 C CG1 . ILE A 1 39 ? 2.478 11.876 -7.716 1.00 95.39 39 A 1 ATOM 330 C CG2 . ILE A 1 39 ? 0.195 13.007 -7.818 1.00 94.20 39 A 1 ATOM 331 C CD1 . ILE A 1 39 ? 3.321 13.149 -7.685 1.00 93.21 39 A 1 ATOM 332 N N . TYR A 1 40 ? 1.836 8.686 -9.177 1.00 96.55 40 A 1 ATOM 333 C CA . TYR A 1 40 ? 2.518 7.666 -9.963 1.00 96.70 40 A 1 ATOM 334 C C . TYR A 1 40 ? 2.334 6.295 -9.321 1.00 96.56 40 A 1 ATOM 335 O O . TYR A 1 40 ? 2.290 6.177 -8.097 1.00 96.18 40 A 1 ATOM 336 C CB . TYR A 1 40 ? 4.003 8.022 -10.091 1.00 96.96 40 A 1 ATOM 337 C CG . TYR A 1 40 ? 4.854 6.957 -10.756 1.00 97.18 40 A 1 ATOM 338 C CD1 . TYR A 1 40 ? 5.542 6.010 -9.970 1.00 96.08 40 A 1 ATOM 339 C CD2 . TYR A 1 40 ? 4.957 6.909 -12.160 1.00 96.29 40 A 1 ATOM 340 C CE1 . TYR A 1 40 ? 6.343 5.031 -10.583 1.00 95.70 40 A 1 ATOM 341 C CE2 . TYR A 1 40 ? 5.762 5.934 -12.777 1.00 95.90 40 A 1 ATOM 342 C CZ . TYR A 1 40 ? 6.461 4.995 -11.988 1.00 96.20 40 A 1 ATOM 343 O OH . TYR A 1 40 ? 7.259 4.063 -12.577 1.00 95.33 40 A 1 ATOM 344 N N . HIS A 1 41 ? 2.255 5.258 -10.154 1.00 95.80 41 A 1 ATOM 345 C CA . HIS A 1 41 ? 2.243 3.878 -9.699 1.00 95.58 41 A 1 ATOM 346 C C . HIS A 1 41 ? 2.833 2.955 -10.762 1.00 95.79 41 A 1 ATOM 347 O O . HIS A 1 41 ? 2.444 2.991 -11.926 1.00 94.91 41 A 1 ATOM 348 C CB . HIS A 1 41 ? 0.819 3.447 -9.348 1.00 94.08 41 A 1 ATOM 349 C CG . HIS A 1 41 ? 0.704 2.018 -8.871 1.00 92.93 41 A 1 ATOM 350 N ND1 . HIS A 1 41 ? -0.077 1.035 -9.457 1.00 83.95 41 A 1 ATOM 351 C CD2 . HIS A 1 41 ? 1.350 1.470 -7.802 1.00 83.56 41 A 1 ATOM 352 C CE1 . HIS A 1 41 ? 0.103 -0.080 -8.742 1.00 85.18 41 A 1 ATOM 353 N NE2 . HIS A 1 41 ? 0.963 0.141 -7.728 1.00 86.65 41 A 1 ATOM 354 N N . HIS A 1 42 ? 3.730 2.082 -10.331 1.00 95.82 42 A 1 ATOM 355 C CA . HIS A 1 42 ? 4.241 0.973 -11.109 1.00 95.47 42 A 1 ATOM 356 C C . HIS A 1 42 ? 4.265 -0.275 -10.232 1.00 95.47 42 A 1 ATOM 357 O O . HIS A 1 42 ? 4.451 -0.187 -9.024 1.00 94.74 42 A 1 ATOM 358 C CB . HIS A 1 42 ? 5.636 1.322 -11.641 1.00 94.13 42 A 1 ATOM 359 C CG . HIS A 1 42 ? 6.298 0.169 -12.349 1.00 88.37 42 A 1 ATOM 360 N ND1 . HIS A 1 42 ? 7.143 -0.749 -11.774 1.00 73.94 42 A 1 ATOM 361 C CD2 . HIS A 1 42 ? 6.113 -0.217 -13.650 1.00 72.70 42 A 1 ATOM 362 C CE1 . HIS A 1 42 ? 7.455 -1.670 -12.707 1.00 68.48 42 A 1 ATOM 363 N NE2 . HIS A 1 42 ? 6.849 -1.385 -13.867 1.00 70.87 42 A 1 ATOM 364 N N . TYR A 1 43 ? 4.090 -1.442 -10.844 1.00 95.70 43 A 1 ATOM 365 C CA . TYR A 1 43 ? 4.278 -2.695 -10.129 1.00 95.48 43 A 1 ATOM 366 C C . TYR A 1 43 ? 4.875 -3.763 -11.037 1.00 95.72 43 A 1 ATOM 367 O O . TYR A 1 43 ? 4.635 -3.798 -12.244 1.00 94.96 43 A 1 ATOM 368 C CB . TYR A 1 43 ? 2.962 -3.181 -9.501 1.00 94.18 43 A 1 ATOM 369 C CG . TYR A 1 43 ? 1.983 -3.794 -10.483 1.00 93.21 43 A 1 ATOM 370 C CD1 . TYR A 1 43 ? 1.120 -2.972 -11.231 1.00 90.14 43 A 1 ATOM 371 C CD2 . TYR A 1 43 ? 1.957 -5.191 -10.676 1.00 89.51 43 A 1 ATOM 372 C CE1 . TYR A 1 43 ? 0.241 -3.536 -12.168 1.00 87.20 43 A 1 ATOM 373 C CE2 . TYR A 1 43 ? 1.077 -5.761 -11.614 1.00 87.83 43 A 1 ATOM 374 C CZ . TYR A 1 43 ? 0.218 -4.932 -12.362 1.00 86.55 43 A 1 ATOM 375 O OH . TYR A 1 43 ? -0.627 -5.482 -13.275 1.00 84.27 43 A 1 ATOM 376 N N . ARG A 1 44 ? 5.582 -4.706 -10.428 1.00 95.62 44 A 1 ATOM 377 C CA . ARG A 1 44 ? 5.992 -5.958 -11.059 1.00 95.25 44 A 1 ATOM 378 C C . ARG A 1 44 ? 5.582 -7.135 -10.184 1.00 95.48 44 A 1 ATOM 379 O O . ARG A 1 44 ? 5.397 -7.004 -8.975 1.00 95.00 44 A 1 ATOM 380 C CB . ARG A 1 44 ? 7.491 -5.926 -11.403 1.00 93.76 44 A 1 ATOM 381 C CG . ARG A 1 44 ? 8.374 -5.757 -10.162 1.00 90.65 44 A 1 ATOM 382 C CD . ARG A 1 44 ? 9.849 -5.657 -10.554 1.00 90.58 44 A 1 ATOM 383 N NE . ARG A 1 44 ? 10.650 -5.510 -9.329 1.00 89.29 44 A 1 ATOM 384 C CZ . ARG A 1 44 ? 11.139 -6.458 -8.558 1.00 89.59 44 A 1 ATOM 385 N NH1 . ARG A 1 44 ? 11.076 -7.729 -8.860 1.00 80.79 44 A 1 ATOM 386 N NH2 . ARG A 1 44 ? 11.696 -6.113 -7.443 1.00 83.18 44 A 1 ATOM 387 N N . LYS A 1 45 ? 5.403 -8.297 -10.812 1.00 94.57 45 A 1 ATOM 388 C CA . LYS A 1 45 ? 4.926 -9.503 -10.128 1.00 94.35 45 A 1 ATOM 389 C C . LYS A 1 45 ? 5.725 -10.715 -10.581 1.00 94.89 45 A 1 ATOM 390 O O . LYS A 1 45 ? 5.936 -10.911 -11.772 1.00 93.60 45 A 1 ATOM 391 C CB . LYS A 1 45 ? 3.425 -9.653 -10.391 1.00 91.61 45 A 1 ATOM 392 C CG . LYS A 1 45 ? 2.802 -10.802 -9.589 1.00 81.43 45 A 1 ATOM 393 C CD . LYS A 1 45 ? 1.313 -10.893 -9.899 1.00 81.21 45 A 1 ATOM 394 C CE . LYS A 1 45 ? 0.701 -12.095 -9.182 1.00 71.82 45 A 1 ATOM 395 N NZ . LYS A 1 45 ? -0.707 -12.277 -9.610 1.00 64.65 45 A 1 ATOM 396 N N . GLN A 1 46 ? 6.102 -11.565 -9.627 1.00 95.51 46 A 1 ATOM 397 C CA . GLN A 1 46 ? 6.768 -12.835 -9.883 1.00 95.18 46 A 1 ATOM 398 C C . GLN A 1 46 ? 6.185 -13.908 -8.962 1.00 95.59 46 A 1 ATOM 399 O O . GLN A 1 46 ? 6.311 -13.840 -7.738 1.00 94.19 46 A 1 ATOM 400 C CB . GLN A 1 46 ? 8.281 -12.646 -9.709 1.00 93.33 46 A 1 ATOM 401 C CG . GLN A 1 46 ? 9.079 -13.883 -10.166 1.00 83.30 46 A 1 ATOM 402 C CD . GLN A 1 46 ? 10.584 -13.667 -10.064 1.00 79.51 46 A 1 ATOM 403 O OE1 . GLN A 1 46 ? 11.065 -12.688 -9.523 1.00 74.11 46 A 1 ATOM 404 N NE2 . GLN A 1 46 ? 11.393 -14.569 -10.577 1.00 70.93 46 A 1 ATOM 405 N N . GLY A 1 47 ? 5.486 -14.874 -9.539 1.00 94.76 47 A 1 ATOM 406 C CA . GLY A 1 47 ? 4.766 -15.895 -8.780 1.00 94.47 47 A 1 ATOM 407 C C . GLY A 1 47 ? 3.708 -15.287 -7.846 1.00 94.53 47 A 1 ATOM 408 O O . GLY A 1 47 ? 2.764 -14.635 -8.300 1.00 92.56 47 A 1 ATOM 409 N N . ASN A 1 48 ? 3.849 -15.520 -6.548 1.00 94.45 48 A 1 ATOM 410 C CA . ASN A 1 48 ? 2.975 -14.961 -5.517 1.00 93.75 48 A 1 ATOM 411 C C . ASN A 1 48 ? 3.499 -13.648 -4.907 1.00 94.05 48 A 1 ATOM 412 O O . ASN A 1 48 ? 2.817 -13.098 -4.044 1.00 92.45 48 A 1 ATOM 413 C CB . ASN A 1 48 ? 2.699 -16.028 -4.438 1.00 92.04 48 A 1 ATOM 414 C CG . ASN A 1 48 ? 3.924 -16.392 -3.619 1.00 87.78 48 A 1 ATOM 415 O OD1 . ASN A 1 48 ? 5.034 -16.453 -4.116 1.00 78.38 48 A 1 ATOM 416 N ND2 . ASN A 1 48 ? 3.759 -16.676 -2.348 1.00 80.22 48 A 1 ATOM 417 N N . HIS A 1 49 ? 4.664 -13.167 -5.338 1.00 94.04 49 A 1 ATOM 418 C CA . HIS A 1 49 ? 5.269 -11.915 -4.888 1.00 94.54 49 A 1 ATOM 419 C C . HIS A 1 49 ? 4.897 -10.760 -5.819 1.00 94.52 49 A 1 ATOM 420 O O . HIS A 1 49 ? 4.715 -10.932 -7.027 1.00 93.28 49 A 1 ATOM 421 C CB . HIS A 1 49 ? 6.790 -12.066 -4.780 1.00 94.13 49 A 1 ATOM 422 C CG . HIS A 1 49 ? 7.201 -13.015 -3.684 1.00 94.36 49 A 1 ATOM 423 N ND1 . HIS A 1 49 ? 7.579 -12.669 -2.407 1.00 86.45 49 A 1 ATOM 424 C CD2 . HIS A 1 49 ? 7.243 -14.380 -3.754 1.00 87.76 49 A 1 ATOM 425 C CE1 . HIS A 1 49 ? 7.848 -13.797 -1.734 1.00 88.36 49 A 1 ATOM 426 N NE2 . HIS A 1 49 ? 7.645 -14.867 -2.514 1.00 89.68 49 A 1 ATOM 427 N N . ARG A 1 50 ? 4.800 -9.574 -5.234 1.00 93.93 50 A 1 ATOM 428 C CA . ARG A 1 50 ? 4.511 -8.319 -5.923 1.00 93.54 50 A 1 ATOM 429 C C . ARG A 1 50 ? 5.319 -7.192 -5.289 1.00 94.05 50 A 1 ATOM 430 O O . ARG A 1 50 ? 5.365 -7.088 -4.069 1.00 93.46 50 A 1 ATOM 431 C CB . ARG A 1 50 ? 3.001 -8.065 -5.856 1.00 91.55 50 A 1 ATOM 432 C CG . ARG A 1 50 ? 2.594 -6.739 -6.509 1.00 89.31 50 A 1 ATOM 433 C CD . ARG A 1 50 ? 1.079 -6.566 -6.457 1.00 87.32 50 A 1 ATOM 434 N NE . ARG A 1 50 ? 0.713 -5.215 -6.886 1.00 82.28 50 A 1 ATOM 435 C CZ . ARG A 1 50 ? -0.467 -4.754 -7.216 1.00 81.29 50 A 1 ATOM 436 N NH1 . ARG A 1 50 ? -1.532 -5.497 -7.224 1.00 74.83 50 A 1 ATOM 437 N NH2 . ARG A 1 50 ? -0.581 -3.505 -7.544 1.00 73.32 50 A 1 ATOM 438 N N . TRP A 1 51 ? 5.918 -6.365 -6.131 1.00 95.75 51 A 1 ATOM 439 C CA . TRP A 1 51 ? 6.625 -5.152 -5.747 1.00 95.94 51 A 1 ATOM 440 C C . TRP A 1 51 ? 5.878 -3.967 -6.342 1.00 95.74 51 A 1 ATOM 441 O O . TRP A 1 51 ? 5.698 -3.907 -7.558 1.00 95.16 51 A 1 ATOM 442 C CB . TRP A 1 51 ? 8.076 -5.200 -6.225 1.00 96.11 51 A 1 ATOM 443 C CG . TRP A 1 51 ? 8.897 -6.299 -5.623 1.00 95.94 51 A 1 ATOM 444 C CD1 . TRP A 1 51 ? 9.763 -6.156 -4.594 1.00 94.02 51 A 1 ATOM 445 C CD2 . TRP A 1 51 ? 8.939 -7.713 -5.993 1.00 95.66 51 A 1 ATOM 446 N NE1 . TRP A 1 51 ? 10.338 -7.377 -4.306 1.00 94.29 51 A 1 ATOM 447 C CE2 . TRP A 1 51 ? 9.868 -8.371 -5.137 1.00 95.27 51 A 1 ATOM 448 C CE3 . TRP A 1 51 ? 8.290 -8.507 -6.964 1.00 94.79 51 A 1 ATOM 449 C CZ2 . TRP A 1 51 ? 10.141 -9.745 -5.236 1.00 93.62 51 A 1 ATOM 450 C CZ3 . TRP A 1 51 ? 8.556 -9.888 -7.069 1.00 92.91 51 A 1 ATOM 451 C CH2 . TRP A 1 51 ? 9.479 -10.503 -6.213 1.00 92.71 51 A 1 ATOM 452 N N . ASP A 1 52 ? 5.414 -3.082 -5.481 1.00 94.84 52 A 1 ATOM 453 C CA . ASP A 1 52 ? 4.714 -1.860 -5.838 1.00 94.84 52 A 1 ATOM 454 C C . ASP A 1 52 ? 5.622 -0.664 -5.551 1.00 95.72 52 A 1 ATOM 455 O O . ASP A 1 52 ? 6.212 -0.565 -4.474 1.00 95.47 52 A 1 ATOM 456 C CB . ASP A 1 52 ? 3.400 -1.752 -5.050 1.00 93.39 52 A 1 ATOM 457 C CG . ASP A 1 52 ? 2.320 -2.711 -5.556 1.00 90.43 52 A 1 ATOM 458 O OD1 . ASP A 1 52 ? 1.499 -2.301 -6.409 1.00 86.38 52 A 1 ATOM 459 O OD2 . ASP A 1 52 ? 2.231 -3.882 -5.112 1.00 85.70 52 A 1 ATOM 460 N N . THR A 1 53 ? 5.700 0.255 -6.506 1.00 96.23 53 A 1 ATOM 461 C CA . THR A 1 53 ? 6.304 1.577 -6.347 1.00 96.84 53 A 1 ATOM 462 C C . THR A 1 53 ? 5.213 2.605 -6.573 1.00 96.68 53 A 1 ATOM 463 O O . THR A 1 53 ? 4.657 2.679 -7.672 1.00 96.01 53 A 1 ATOM 464 C CB . THR A 1 53 ? 7.443 1.804 -7.342 1.00 96.91 53 A 1 ATOM 465 O OG1 . THR A 1 53 ? 8.400 0.783 -7.218 1.00 95.60 53 A 1 ATOM 466 C CG2 . THR A 1 53 ? 8.148 3.141 -7.104 1.00 95.44 53 A 1 ATOM 467 N N . SER A 1 54 ? 4.903 3.399 -5.560 1.00 96.64 54 A 1 ATOM 468 C CA . SER A 1 54 ? 3.951 4.502 -5.680 1.00 96.62 54 A 1 ATOM 469 C C . SER A 1 54 ? 4.591 5.818 -5.265 1.00 97.15 54 A 1 ATOM 470 O O . SER A 1 54 ? 5.433 5.853 -4.370 1.00 97.00 54 A 1 ATOM 471 C CB . SER A 1 54 ? 2.656 4.220 -4.908 1.00 95.71 54 A 1 ATOM 472 O OG . SER A 1 54 ? 2.898 3.991 -3.539 1.00 90.68 54 A 1 ATOM 473 N N . VAL A 1 55 ? 4.191 6.907 -5.925 1.00 97.39 55 A 1 ATOM 474 C CA . VAL A 1 55 ? 4.532 8.268 -5.512 1.00 97.53 55 A 1 ATOM 475 C C . VAL A 1 55 ? 3.245 8.992 -5.171 1.00 97.36 55 A 1 ATOM 476 O O . VAL A 1 55 ? 2.284 8.956 -5.942 1.00 96.91 55 A 1 ATOM 477 C CB . VAL A 1 55 ? 5.345 9.043 -6.564 1.00 97.45 55 A 1 ATOM 478 C CG1 . VAL A 1 55 ? 5.846 10.376 -5.995 1.00 96.64 55 A 1 ATOM 479 C CG2 . VAL A 1 55 ? 6.553 8.236 -7.060 1.00 96.64 55 A 1 ATOM 480 N N . HIS A 1 56 ? 3.246 9.636 -4.020 1.00 97.49 56 A 1 ATOM 481 C CA . HIS A 1 56 ? 2.142 10.432 -3.505 1.00 97.43 56 A 1 ATOM 482 C C . HIS A 1 56 ? 2.577 11.885 -3.361 1.00 97.39 56 A 1 ATOM 483 O O . HIS A 1 56 ? 3.753 12.167 -3.131 1.00 96.87 56 A 1 ATOM 484 C CB . HIS A 1 56 ? 1.670 9.850 -2.168 1.00 97.13 56 A 1 ATOM 485 C CG . HIS A 1 56 ? 1.029 8.494 -2.308 1.00 96.95 56 A 1 ATOM 486 N ND1 . HIS A 1 56 ? -0.325 8.236 -2.228 1.00 90.51 56 A 1 ATOM 487 C CD2 . HIS A 1 56 ? 1.655 7.306 -2.569 1.00 92.07 56 A 1 ATOM 488 C CE1 . HIS A 1 56 ? -0.504 6.926 -2.438 1.00 92.28 56 A 1 ATOM 489 N NE2 . HIS A 1 56 ? 0.675 6.321 -2.655 1.00 93.51 56 A 1 ATOM 490 N N . GLN A 1 57 ? 1.608 12.795 -3.470 1.00 96.82 57 A 1 ATOM 491 C CA . GLN A 1 57 ? 1.785 14.210 -3.176 1.00 96.73 57 A 1 ATOM 492 C C . GLN A 1 57 ? 0.618 14.698 -2.322 1.00 96.69 57 A 1 ATOM 493 O O . GLN A 1 57 ? -0.542 14.478 -2.671 1.00 95.94 57 A 1 ATOM 494 C CB . GLN A 1 57 ? 1.913 15.000 -4.483 1.00 95.80 57 A 1 ATOM 495 C CG . GLN A 1 57 ? 2.392 16.443 -4.231 1.00 93.32 57 A 1 ATOM 496 C CD . GLN A 1 57 ? 2.534 17.250 -5.515 1.00 91.24 57 A 1 ATOM 497 O OE1 . GLN A 1 57 ? 1.953 16.969 -6.554 1.00 85.07 57 A 1 ATOM 498 N NE2 . GLN A 1 57 ? 3.311 18.310 -5.498 1.00 82.05 57 A 1 ATOM 499 N N . ASP A 1 58 ? 0.924 15.343 -1.206 1.00 96.56 58 A 1 ATOM 500 C CA . ASP A 1 58 ? -0.094 15.929 -0.339 1.00 96.39 58 A 1 ATOM 501 C C . ASP A 1 58 ? -0.505 17.341 -0.798 1.00 96.40 58 A 1 ATOM 502 O O . ASP A 1 58 ? 0.055 17.923 -1.733 1.00 95.23 58 A 1 ATOM 503 C CB . ASP A 1 58 ? 0.329 15.826 1.140 1.00 95.20 58 A 1 ATOM 504 C CG . ASP A 1 58 ? 1.417 16.804 1.599 1.00 94.65 58 A 1 ATOM 505 O OD1 . ASP A 1 58 ? 1.703 17.778 0.878 1.00 90.69 58 A 1 ATOM 506 O OD2 . ASP A 1 58 ? 1.919 16.615 2.727 1.00 89.95 58 A 1 ATOM 507 N N . SER A 1 59 ? -1.515 17.909 -0.130 1.00 96.40 59 A 1 ATOM 508 C CA . SER A 1 59 ? -2.000 19.264 -0.418 1.00 95.90 59 A 1 ATOM 509 C C . SER A 1 59 ? -0.993 20.371 -0.084 1.00 95.32 59 A 1 ATOM 510 O O . SER A 1 59 ? -1.149 21.493 -0.559 1.00 92.67 59 A 1 ATOM 511 C CB . SER A 1 59 ? -3.304 19.516 0.345 1.00 95.49 59 A 1 ATOM 512 O OG . SER A 1 59 ? -3.131 19.297 1.734 1.00 91.54 59 A 1 ATOM 513 N N . GLY A 1 60 ? 0.030 20.067 0.721 1.00 95.99 60 A 1 ATOM 514 C CA . GLY A 1 60 ? 1.146 20.961 1.038 1.00 95.30 60 A 1 ATOM 515 C C . GLY A 1 60 ? 2.283 20.908 0.016 1.00 95.16 60 A 1 ATOM 516 O O . GLY A 1 60 ? 3.253 21.650 0.152 1.00 92.81 60 A 1 ATOM 517 N N . GLY A 1 61 ? 2.163 20.045 -0.999 1.00 94.65 61 A 1 ATOM 518 C CA . GLY A 1 61 ? 3.177 19.862 -2.032 1.00 93.74 61 A 1 ATOM 519 C C . GLY A 1 61 ? 4.303 18.897 -1.647 1.00 94.50 61 A 1 ATOM 520 O O . GLY A 1 61 ? 5.227 18.726 -2.442 1.00 93.01 61 A 1 ATOM 521 N N . GLN A 1 62 ? 4.241 18.254 -0.481 1.00 95.92 62 A 1 ATOM 522 C CA . GLN A 1 62 ? 5.231 17.263 -0.069 1.00 96.32 62 A 1 ATOM 523 C C . GLN A 1 62 ? 5.040 15.952 -0.822 1.00 96.74 62 A 1 ATOM 524 O O . GLN A 1 62 ? 3.918 15.524 -1.092 1.00 96.20 62 A 1 ATOM 525 C CB . GLN A 1 62 ? 5.199 16.987 1.440 1.00 95.50 62 A 1 ATOM 526 C CG . GLN A 1 62 ? 5.392 18.245 2.287 1.00 86.88 62 A 1 ATOM 527 C CD . GLN A 1 62 ? 5.570 17.944 3.775 1.00 80.63 62 A 1 ATOM 528 O OE1 . GLN A 1 62 ? 5.445 16.835 4.275 1.00 72.08 62 A 1 ATOM 529 N NE2 . GLN A 1 62 ? 5.909 18.943 4.561 1.00 67.40 62 A 1 ATOM 530 N N . TYR A 1 63 ? 6.143 15.283 -1.112 1.00 96.84 63 A 1 ATOM 531 C CA . TYR A 1 63 ? 6.180 14.015 -1.826 1.00 96.97 63 A 1 ATOM 532 C C . TYR A 1 63 ? 6.516 12.856 -0.889 1.00 97.29 63 A 1 ATOM 533 O O . TYR A 1 63 ? 7.331 12.981 0.026 1.00 96.91 63 A 1 ATOM 534 C CB . TYR A 1 63 ? 7.185 14.086 -2.974 1.00 96.47 63 A 1 ATOM 535 C CG . TYR A 1 63 ? 6.815 15.058 -4.076 1.00 96.01 63 A 1 ATOM 536 C CD1 . TYR A 1 63 ? 6.147 14.600 -5.229 1.00 94.29 63 A 1 ATOM 537 C CD2 . TYR A 1 63 ? 7.141 16.423 -3.949 1.00 94.46 63 A 1 ATOM 538 C CE1 . TYR A 1 63 ? 5.804 15.505 -6.254 1.00 93.41 63 A 1 ATOM 539 C CE2 . TYR A 1 63 ? 6.793 17.331 -4.966 1.00 93.49 63 A 1 ATOM 540 C CZ . TYR A 1 63 ? 6.124 16.873 -6.121 1.00 93.54 63 A 1 ATOM 541 O OH . TYR A 1 63 ? 5.789 17.752 -7.100 1.00 91.69 63 A 1 ATOM 542 N N . ALA A 1 64 ? 5.948 11.689 -1.188 1.00 97.40 64 A 1 ATOM 543 C CA . ALA A 1 64 ? 6.342 10.417 -0.601 1.00 97.66 64 A 1 ATOM 544 C C . ALA A 1 64 ? 6.439 9.334 -1.680 1.00 97.88 64 A 1 ATOM 545 O O . ALA A 1 64 ? 5.483 9.092 -2.413 1.00 97.57 64 A 1 ATOM 546 C CB . ALA A 1 64 ? 5.347 10.041 0.506 1.00 97.29 64 A 1 ATOM 547 N N . ILE A 1 65 ? 7.583 8.650 -1.759 1.00 97.78 65 A 1 ATOM 548 C CA . ILE A 1 65 ? 7.764 7.433 -2.558 1.00 97.86 65 A 1 ATOM 549 C C . ILE A 1 65 ? 7.660 6.241 -1.617 1.00 97.87 65 A 1 ATOM 550 O O . ILE A 1 65 ? 8.345 6.203 -0.595 1.00 97.48 65 A 1 ATOM 551 C CB . ILE A 1 65 ? 9.110 7.411 -3.309 1.00 97.56 65 A 1 ATOM 552 C CG1 . ILE A 1 65 ? 9.280 8.667 -4.186 1.00 95.84 65 A 1 ATOM 553 C CG2 . ILE A 1 65 ? 9.224 6.127 -4.155 1.00 96.06 65 A 1 ATOM 554 C CD1 . ILE A 1 65 ? 10.647 8.775 -4.853 1.00 91.93 65 A 1 ATOM 555 N N . ILE A 1 66 ? 6.846 5.269 -1.982 1.00 97.42 66 A 1 ATOM 556 C CA . ILE A 1 66 ? 6.658 4.025 -1.241 1.00 97.30 66 A 1 ATOM 557 C C . ILE A 1 66 ? 7.097 2.864 -2.130 1.00 97.23 66 A 1 ATOM 558 O O . ILE A 1 66 ? 6.505 2.622 -3.181 1.00 96.82 66 A 1 ATOM 559 C CB . ILE A 1 66 ? 5.195 3.870 -0.774 1.00 96.87 66 A 1 ATOM 560 C CG1 . ILE A 1 66 ? 4.692 5.134 -0.036 1.00 95.39 66 A 1 ATOM 561 C CG2 . ILE A 1 66 ? 5.067 2.619 0.114 1.00 95.33 66 A 1 ATOM 562 C CD1 . ILE A 1 66 ? 3.195 5.104 0.271 1.00 90.80 66 A 1 ATOM 563 N N . PHE A 1 67 ? 8.124 2.131 -1.692 1.00 97.38 67 A 1 ATOM 564 C CA . PHE A 1 67 ? 8.513 0.836 -2.237 1.00 97.23 67 A 1 ATOM 565 C C . PHE A 1 67 ? 7.960 -0.245 -1.321 1.00 96.81 67 A 1 ATOM 566 O O . PHE A 1 67 ? 8.364 -0.339 -0.161 1.00 96.12 67 A 1 ATOM 567 C CB . PHE A 1 67 ? 10.036 0.733 -2.339 1.00 97.26 67 A 1 ATOM 568 C CG . PHE A 1 67 ? 10.660 1.763 -3.254 1.00 97.59 67 A 1 ATOM 569 C CD1 . PHE A 1 67 ? 10.646 1.567 -4.644 1.00 96.82 67 A 1 ATOM 570 C CD2 . PHE A 1 67 ? 11.248 2.925 -2.714 1.00 97.05 67 A 1 ATOM 571 C CE1 . PHE A 1 67 ? 11.223 2.522 -5.497 1.00 96.71 67 A 1 ATOM 572 C CE2 . PHE A 1 67 ? 11.823 3.883 -3.567 1.00 96.73 67 A 1 ATOM 573 C CZ . PHE A 1 67 ? 11.813 3.681 -4.959 1.00 97.06 67 A 1 ATOM 574 N N . ARG A 1 68 ? 7.046 -1.062 -1.827 1.00 95.88 68 A 1 ATOM 575 C CA . ARG A 1 68 ? 6.371 -2.090 -1.028 1.00 95.35 68 A 1 ATOM 576 C C . ARG A 1 68 ? 6.517 -3.455 -1.674 1.00 95.24 68 A 1 ATOM 577 O O . ARG A 1 68 ? 6.050 -3.676 -2.792 1.00 94.61 68 A 1 ATOM 578 C CB . ARG A 1 68 ? 4.905 -1.678 -0.827 1.00 94.27 68 A 1 ATOM 579 C CG . ARG A 1 68 ? 4.132 -2.662 0.053 1.00 92.19 68 A 1 ATOM 580 C CD . ARG A 1 68 ? 2.683 -2.201 0.221 1.00 91.01 68 A 1 ATOM 581 N NE . ARG A 1 68 ? 2.591 -1.005 1.064 1.00 88.87 68 A 1 ATOM 582 C CZ . ARG A 1 68 ? 1.864 0.079 0.877 1.00 89.18 68 A 1 ATOM 583 N NH1 . ARG A 1 68 ? 1.051 0.254 -0.125 1.00 82.98 68 A 1 ATOM 584 N NH2 . ARG A 1 68 ? 1.946 1.045 1.732 1.00 83.83 68 A 1 ATOM 585 N N . HIS A 1 69 ? 7.093 -4.393 -0.938 1.00 94.41 69 A 1 ATOM 586 C CA . HIS A 1 69 ? 7.101 -5.800 -1.312 1.00 94.20 69 A 1 ATOM 587 C C . HIS A 1 69 ? 6.004 -6.542 -0.552 1.00 93.45 69 A 1 ATOM 588 O O . HIS A 1 69 ? 5.965 -6.563 0.678 1.00 92.60 69 A 1 ATOM 589 C CB . HIS A 1 69 ? 8.489 -6.382 -1.066 1.00 94.03 69 A 1 ATOM 590 C CG . HIS A 1 69 ? 8.638 -7.851 -1.367 1.00 93.88 69 A 1 ATOM 591 N ND1 . HIS A 1 69 ? 9.626 -8.645 -0.819 1.00 85.81 69 A 1 ATOM 592 C CD2 . HIS A 1 69 ? 7.902 -8.642 -2.202 1.00 87.14 69 A 1 ATOM 593 C CE1 . HIS A 1 69 ? 9.485 -9.877 -1.321 1.00 88.95 69 A 1 ATOM 594 N NE2 . HIS A 1 69 ? 8.440 -9.930 -2.165 1.00 89.57 69 A 1 ATOM 595 N N . SER A 1 70 ? 5.110 -7.178 -1.296 1.00 92.60 70 A 1 ATOM 596 C CA . SER A 1 70 ? 4.041 -7.998 -0.741 1.00 91.92 70 A 1 ATOM 597 C C . SER A 1 70 ? 4.025 -9.399 -1.348 1.00 92.43 70 A 1 ATOM 598 O O . SER A 1 70 ? 4.568 -9.649 -2.426 1.00 92.20 70 A 1 ATOM 599 C CB . SER A 1 70 ? 2.695 -7.276 -0.880 1.00 90.01 70 A 1 ATOM 600 O OG . SER A 1 70 ? 2.336 -7.115 -2.238 1.00 83.59 70 A 1 ATOM 601 N N . PHE A 1 71 ? 3.401 -10.334 -0.661 1.00 91.41 71 A 1 ATOM 602 C CA . PHE A 1 71 ? 3.188 -11.681 -1.174 1.00 90.60 71 A 1 ATOM 603 C C . PHE A 1 71 ? 1.806 -12.196 -0.788 1.00 89.88 71 A 1 ATOM 604 O O . PHE A 1 71 ? 1.242 -11.837 0.244 1.00 88.65 71 A 1 ATOM 605 C CB . PHE A 1 71 ? 4.307 -12.626 -0.707 1.00 89.74 71 A 1 ATOM 606 C CG . PHE A 1 71 ? 4.287 -12.947 0.774 1.00 88.29 71 A 1 ATOM 607 C CD1 . PHE A 1 71 ? 4.825 -12.033 1.702 1.00 84.81 71 A 1 ATOM 608 C CD2 . PHE A 1 71 ? 3.720 -14.151 1.233 1.00 85.30 71 A 1 ATOM 609 C CE1 . PHE A 1 71 ? 4.798 -12.322 3.077 1.00 82.64 71 A 1 ATOM 610 C CE2 . PHE A 1 71 ? 3.693 -14.441 2.612 1.00 83.97 71 A 1 ATOM 611 C CZ . PHE A 1 71 ? 4.233 -13.524 3.533 1.00 82.66 71 A 1 ATOM 612 N N . SER A 1 72 ? 1.250 -13.079 -1.620 1.00 89.67 72 A 1 ATOM 613 C CA . SER A 1 72 ? -0.042 -13.706 -1.351 1.00 88.91 72 A 1 ATOM 614 C C . SER A 1 72 ? 0.138 -15.148 -0.888 1.00 89.62 72 A 1 ATOM 615 O O . SER A 1 72 ? 0.795 -15.943 -1.560 1.00 88.54 72 A 1 ATOM 616 C CB . SER A 1 72 ? -0.939 -13.662 -2.577 1.00 86.00 72 A 1 ATOM 617 O OG . SER A 1 72 ? -1.236 -12.340 -2.972 1.00 73.34 72 A 1 ATOM 618 N N . LYS A 1 73 ? -0.512 -15.514 0.222 1.00 88.55 73 A 1 ATOM 619 C CA . LYS A 1 73 ? -0.491 -16.877 0.769 1.00 87.60 73 A 1 ATOM 620 C C . LYS A 1 73 ? -1.912 -17.350 1.070 1.00 87.21 73 A 1 ATOM 621 O O . LYS A 1 73 ? -2.730 -16.593 1.579 1.00 85.46 73 A 1 ATOM 622 C CB . LYS A 1 73 ? 0.428 -16.911 2.007 1.00 85.32 73 A 1 ATOM 623 C CG . LYS A 1 73 ? 0.655 -18.335 2.543 1.00 77.27 73 A 1 ATOM 624 C CD . LYS A 1 73 ? 1.617 -18.345 3.739 1.00 75.73 73 A 1 ATOM 625 C CE . LYS A 1 73 ? 1.774 -19.774 4.285 1.00 67.61 73 A 1 ATOM 626 N NZ . LYS A 1 73 ? 2.637 -19.826 5.495 1.00 61.57 73 A 1 ATOM 627 N N . LYS A 1 74 ? -2.205 -18.617 0.754 1.00 87.24 74 A 1 ATOM 628 C CA . LYS A 1 74 ? -3.439 -19.283 1.179 1.00 86.95 74 A 1 ATOM 629 C C . LYS A 1 74 ? -3.317 -19.619 2.670 1.00 86.11 74 A 1 ATOM 630 O O . LYS A 1 74 ? -2.335 -20.242 3.072 1.00 83.14 74 A 1 ATOM 631 C CB . LYS A 1 74 ? -3.689 -20.516 0.297 1.00 85.88 74 A 1 ATOM 632 C CG . LYS A 1 74 ? -5.118 -21.061 0.461 1.00 79.04 74 A 1 ATOM 633 C CD . LYS A 1 74 ? -5.381 -22.237 -0.497 1.00 77.48 74 A 1 ATOM 634 C CE . LYS A 1 74 ? -6.834 -22.700 -0.349 1.00 71.75 74 A 1 ATOM 635 N NZ . LYS A 1 74 ? -7.180 -23.872 -1.191 1.00 65.60 74 A 1 ATOM 636 N N . GLN A 1 75 ? -4.271 -19.157 3.464 1.00 86.83 75 A 1 ATOM 637 C CA . GLN A 1 75 ? -4.340 -19.407 4.906 1.00 85.91 75 A 1 ATOM 638 C C . GLN A 1 75 ? -4.999 -20.760 5.200 1.00 87.89 75 A 1 ATOM 639 O O . GLN A 1 75 ? -5.475 -21.437 4.289 1.00 85.82 75 A 1 ATOM 640 C CB . GLN A 1 75 ? -5.079 -18.244 5.587 1.00 81.82 75 A 1 ATOM 641 C CG . GLN A 1 75 ? -4.410 -16.876 5.372 1.00 76.50 75 A 1 ATOM 642 C CD . GLN A 1 75 ? -2.987 -16.783 5.909 1.00 72.58 75 A 1 ATOM 643 O OE1 . GLN A 1 75 ? -2.527 -17.540 6.748 1.00 67.64 75 A 1 ATOM 644 N NE2 . GLN A 1 75 ? -2.209 -15.848 5.417 1.00 64.56 75 A 1 ATOM 645 N N . ALA A 1 76 ? -5.029 -21.160 6.477 1.00 86.75 76 A 1 ATOM 646 C CA . ALA A 1 76 ? -5.621 -22.427 6.920 1.00 88.23 76 A 1 ATOM 647 C C . ALA A 1 76 ? -7.128 -22.532 6.607 1.00 88.93 76 A 1 ATOM 648 O O . ALA A 1 76 ? -7.621 -23.619 6.332 1.00 85.75 76 A 1 ATOM 649 C CB . ALA A 1 76 ? -5.352 -22.570 8.424 1.00 87.87 76 A 1 ATOM 650 N N . ASP A 1 77 ? -7.821 -21.394 6.568 1.00 87.32 77 A 1 ATOM 651 C CA . ASP A 1 77 ? -9.232 -21.275 6.169 1.00 87.60 77 A 1 ATOM 652 C C . ASP A 1 77 ? -9.453 -21.391 4.646 1.00 89.54 77 A 1 ATOM 653 O O . ASP A 1 77 ? -10.574 -21.298 4.153 1.00 86.54 77 A 1 ATOM 654 C CB . ASP A 1 77 ? -9.778 -19.945 6.703 1.00 83.99 77 A 1 ATOM 655 C CG . ASP A 1 77 ? -9.070 -18.709 6.136 1.00 78.90 77 A 1 ATOM 656 O OD1 . ASP A 1 77 ? -8.166 -18.838 5.272 1.00 75.40 77 A 1 ATOM 657 O OD2 . ASP A 1 77 ? -9.355 -17.590 6.604 1.00 75.21 77 A 1 ATOM 658 N N . GLY A 1 78 ? -8.386 -21.588 3.874 1.00 86.08 78 A 1 ATOM 659 C CA . GLY A 1 78 ? -8.451 -21.680 2.423 1.00 86.06 78 A 1 ATOM 660 C C . GLY A 1 78 ? -8.498 -20.333 1.693 1.00 86.38 78 A 1 ATOM 661 O O . GLY A 1 78 ? -8.401 -20.328 0.457 1.00 83.20 78 A 1 ATOM 662 N N . VAL A 1 79 ? -8.581 -19.215 2.411 1.00 86.41 79 A 1 ATOM 663 C CA . VAL A 1 79 ? -8.638 -17.870 1.833 1.00 85.28 79 A 1 ATOM 664 C C . VAL A 1 79 ? -7.230 -17.372 1.505 1.00 85.74 79 A 1 ATOM 665 O O . VAL A 1 79 ? -6.289 -17.473 2.296 1.00 84.03 79 A 1 ATOM 666 C CB . VAL A 1 79 ? -9.397 -16.891 2.750 1.00 82.61 79 A 1 ATOM 667 C CG1 . VAL A 1 79 ? -9.500 -15.497 2.113 1.00 78.29 79 A 1 ATOM 668 C CG2 . VAL A 1 79 ? -10.825 -17.388 3.012 1.00 79.23 79 A 1 ATOM 669 N N . LYS A 1 80 ? -7.061 -16.819 0.294 1.00 84.64 80 A 1 ATOM 670 C CA . LYS A 1 80 ? -5.805 -16.200 -0.134 1.00 83.99 80 A 1 ATOM 671 C C . LYS A 1 80 ? -5.744 -14.763 0.380 1.00 83.08 80 A 1 ATOM 672 O O . LYS A 1 80 ? -6.538 -13.935 -0.053 1.00 81.66 80 A 1 ATOM 673 C CB . LYS A 1 80 ? -5.682 -16.297 -1.659 1.00 83.17 80 A 1 ATOM 674 C CG . LYS A 1 80 ? -4.292 -15.855 -2.139 1.00 76.51 80 A 1 ATOM 675 C CD . LYS A 1 80 ? -4.184 -16.022 -3.658 1.00 75.85 80 A 1 ATOM 676 C CE . LYS A 1 80 ? -2.779 -15.631 -4.104 1.00 69.86 80 A 1 ATOM 677 N NZ . LYS A 1 80 ? -2.584 -15.836 -5.560 1.00 64.96 80 A 1 ATOM 678 N N . ARG A 1 81 ? -4.768 -14.468 1.234 1.00 85.58 81 A 1 ATOM 679 C CA . ARG A 1 81 ? -4.519 -13.124 1.781 1.00 84.96 81 A 1 ATOM 680 C C . ARG A 1 81 ? -3.179 -12.580 1.302 1.00 86.16 81 A 1 ATOM 681 O O . ARG A 1 81 ? -2.223 -13.339 1.124 1.00 85.02 81 A 1 ATOM 682 C CB . ARG A 1 81 ? -4.614 -13.142 3.315 1.00 83.07 81 A 1 ATOM 683 C CG . ARG A 1 81 ? -6.040 -13.479 3.806 1.00 78.56 81 A 1 ATOM 684 C CD . ARG A 1 81 ? -6.162 -13.314 5.323 1.00 76.64 81 A 1 ATOM 685 N NE . ARG A 1 81 ? -7.529 -13.619 5.798 1.00 71.21 81 A 1 ATOM 686 C CZ . ARG A 1 81 ? -8.002 -14.788 6.197 1.00 65.01 81 A 1 ATOM 687 N NH1 . ARG A 1 81 ? -7.275 -15.860 6.259 1.00 60.87 81 A 1 ATOM 688 N NH2 . ARG A 1 81 ? -9.242 -14.915 6.546 1.00 57.43 81 A 1 ATOM 689 N N . THR A 1 82 ? -3.121 -11.271 1.092 1.00 86.57 82 A 1 ATOM 690 C CA . THR A 1 82 ? -1.889 -10.547 0.756 1.00 85.93 82 A 1 ATOM 691 C C . THR A 1 82 ? -1.276 -9.987 2.033 1.00 86.48 82 A 1 ATOM 692 O O . THR A 1 82 ? -1.978 -9.402 2.849 1.00 85.54 82 A 1 ATOM 693 C CB . THR A 1 82 ? -2.151 -9.438 -0.270 1.00 84.48 82 A 1 ATOM 694 O OG1 . THR A 1 82 ? -2.668 -10.024 -1.453 1.00 80.20 82 A 1 ATOM 695 C CG2 . THR A 1 82 ? -0.883 -8.691 -0.676 1.00 79.83 82 A 1 ATOM 696 N N . MET A 1 83 ? 0.030 -10.180 2.198 1.00 87.75 83 A 1 ATOM 697 C CA . MET A 1 83 ? 0.816 -9.708 3.335 1.00 87.98 83 A 1 ATOM 698 C C . MET A 1 83 ? 1.947 -8.821 2.832 1.00 89.49 83 A 1 ATOM 699 O O . MET A 1 83 ? 2.583 -9.157 1.830 1.00 88.71 83 A 1 ATOM 700 C CB . MET A 1 83 ? 1.388 -10.910 4.099 1.00 85.87 83 A 1 ATOM 701 C CG . MET A 1 83 ? 0.297 -11.779 4.730 1.00 77.48 83 A 1 ATOM 702 S SD . MET A 1 83 ? 0.948 -13.246 5.575 1.00 71.92 83 A 1 ATOM 703 C CE . MET A 1 83 ? -0.539 -13.765 6.447 1.00 62.12 83 A 1 ATOM 704 N N . ILE A 1 84 ? 2.211 -7.721 3.526 1.00 90.23 84 A 1 ATOM 705 C CA . ILE A 1 84 ? 3.422 -6.923 3.303 1.00 90.38 84 A 1 ATOM 706 C C . ILE A 1 84 ? 4.595 -7.653 3.950 1.00 90.55 84 A 1 ATOM 707 O O . ILE A 1 84 ? 4.492 -8.123 5.083 1.00 89.61 84 A 1 ATOM 708 C CB . ILE A 1 84 ? 3.260 -5.483 3.832 1.00 89.39 84 A 1 ATOM 709 C CG1 . ILE A 1 84 ? 2.171 -4.760 3.012 1.00 87.77 84 A 1 ATOM 710 C CG2 . ILE A 1 84 ? 4.587 -4.712 3.746 1.00 87.46 84 A 1 ATOM 711 C CD1 . ILE A 1 84 ? 1.810 -3.379 3.559 1.00 81.98 84 A 1 ATOM 712 N N . ARG A 1 85 ? 5.690 -7.780 3.206 1.00 92.86 85 A 1 ATOM 713 C CA . ARG A 1 85 ? 6.949 -8.336 3.698 1.00 92.89 85 A 1 ATOM 714 C C . ARG A 1 85 ? 7.867 -7.231 4.198 1.00 93.02 85 A 1 ATOM 715 O O . ARG A 1 85 ? 8.402 -7.347 5.291 1.00 92.09 85 A 1 ATOM 716 C CB . ARG A 1 85 ? 7.605 -9.163 2.584 1.00 91.97 85 A 1 ATOM 717 C CG . ARG A 1 85 ? 8.902 -9.819 3.081 1.00 86.32 85 A 1 ATOM 718 C CD . ARG A 1 85 ? 9.566 -10.595 1.941 1.00 82.81 85 A 1 ATOM 719 N NE . ARG A 1 85 ? 10.826 -11.207 2.397 1.00 73.71 85 A 1 ATOM 720 C CZ . ARG A 1 85 ? 11.734 -11.767 1.621 1.00 67.81 85 A 1 ATOM 721 N NH1 . ARG A 1 85 ? 11.583 -11.842 0.328 1.00 62.84 85 A 1 ATOM 722 N NH2 . ARG A 1 85 ? 12.824 -12.265 2.140 1.00 57.29 85 A 1 ATOM 723 N N . ASP A 1 86 ? 8.024 -6.191 3.387 1.00 93.40 86 A 1 ATOM 724 C CA . ASP A 1 86 ? 8.863 -5.038 3.673 1.00 93.63 86 A 1 ATOM 725 C C . ASP A 1 86 ? 8.342 -3.806 2.925 1.00 94.76 86 A 1 ATOM 726 O O . ASP A 1 86 ? 7.677 -3.904 1.891 1.00 93.94 86 A 1 ATOM 727 C CB . ASP A 1 86 ? 10.342 -5.353 3.349 1.00 90.06 86 A 1 ATOM 728 C CG . ASP A 1 86 ? 10.558 -5.949 1.955 1.00 79.07 86 A 1 ATOM 729 O OD1 . ASP A 1 86 ? 10.477 -7.206 1.842 1.00 71.44 86 A 1 ATOM 730 O OD2 . ASP A 1 86 ? 10.834 -5.185 1.014 1.00 71.75 86 A 1 ATOM 731 N N . GLU A 1 87 ? 8.637 -2.638 3.493 1.00 94.90 87 A 1 ATOM 732 C CA . GLU A 1 87 ? 8.256 -1.337 2.956 1.00 95.19 87 A 1 ATOM 733 C C . GLU A 1 87 ? 9.362 -0.318 3.239 1.00 95.71 87 A 1 ATOM 734 O O . GLU A 1 87 ? 9.896 -0.247 4.343 1.00 94.74 87 A 1 ATOM 735 C CB . GLU A 1 87 ? 6.914 -0.892 3.560 1.00 93.39 87 A 1 ATOM 736 C CG . GLU A 1 87 ? 6.395 0.421 2.952 1.00 90.71 87 A 1 ATOM 737 C CD . GLU A 1 87 ? 5.052 0.828 3.568 1.00 90.15 87 A 1 ATOM 738 O OE1 . GLU A 1 87 ? 5.060 1.639 4.519 1.00 83.69 87 A 1 ATOM 739 O OE2 . GLU A 1 87 ? 4.006 0.335 3.091 1.00 84.90 87 A 1 ATOM 740 N N . THR A 1 88 ? 9.699 0.488 2.235 1.00 96.42 88 A 1 ATOM 741 C CA . THR A 1 88 ? 10.618 1.624 2.365 1.00 96.78 88 A 1 ATOM 742 C C . THR A 1 88 ? 9.913 2.880 1.881 1.00 97.16 88 A 1 ATOM 743 O O . THR A 1 88 ? 9.337 2.884 0.795 1.00 96.73 88 A 1 ATOM 744 C CB . THR A 1 88 ? 11.912 1.395 1.574 1.00 96.17 88 A 1 ATOM 745 O OG1 . THR A 1 88 ? 12.547 0.227 2.035 1.00 91.90 88 A 1 ATOM 746 C CG2 . THR A 1 88 ? 12.917 2.536 1.743 1.00 91.56 88 A 1 ATOM 747 N N . VAL A 1 89 ? 9.969 3.945 2.682 1.00 96.97 89 A 1 ATOM 748 C CA . VAL A 1 89 ? 9.347 5.236 2.365 1.00 97.24 89 A 1 ATOM 749 C C . VAL A 1 89 ? 10.418 6.318 2.311 1.00 97.32 89 A 1 ATOM 750 O O . VAL A 1 89 ? 11.170 6.501 3.266 1.00 96.56 89 A 1 ATOM 751 C CB . VAL A 1 89 ? 8.241 5.605 3.372 1.00 96.75 89 A 1 ATOM 752 C CG1 . VAL A 1 89 ? 7.525 6.901 2.954 1.00 95.26 89 A 1 ATOM 753 C CG2 . VAL A 1 89 ? 7.184 4.501 3.493 1.00 95.22 89 A 1 ATOM 754 N N . ILE A 1 90 ? 10.455 7.060 1.207 1.00 97.54 90 A 1 ATOM 755 C CA . ILE A 1 90 ? 11.286 8.255 1.025 1.00 97.44 90 A 1 ATOM 756 C C . ILE A 1 90 ? 10.353 9.460 0.993 1.00 97.57 90 A 1 ATOM 757 O O . ILE A 1 90 ? 9.348 9.440 0.289 1.00 97.12 90 A 1 ATOM 758 C CB . ILE A 1 90 ? 12.134 8.156 -0.260 1.00 96.97 90 A 1 ATOM 759 C CG1 . ILE A 1 90 ? 13.026 6.891 -0.233 1.00 95.13 90 A 1 ATOM 760 C CG2 . ILE A 1 90 ? 12.985 9.431 -0.440 1.00 95.19 90 A 1 ATOM 761 C CD1 . ILE A 1 90 ? 13.782 6.652 -1.542 1.00 89.12 90 A 1 ATOM 762 N N . ARG A 1 91 ? 10.682 10.510 1.746 1.00 97.37 91 A 1 ATOM 763 C CA . ARG A 1 91 ? 9.917 11.761 1.785 1.00 97.22 91 A 1 ATOM 764 C C . ARG A 1 91 ? 10.783 12.919 1.316 1.00 97.28 91 A 1 ATOM 765 O O . ARG A 1 91 ? 11.981 12.921 1.579 1.00 96.34 91 A 1 ATOM 766 C CB . ARG A 1 91 ? 9.375 12.029 3.192 1.00 96.43 91 A 1 ATOM 767 C CG . ARG A 1 91 ? 8.336 10.985 3.623 1.00 93.79 91 A 1 ATOM 768 C CD . ARG A 1 91 ? 7.810 11.359 5.007 1.00 90.57 91 A 1 ATOM 769 N NE . ARG A 1 91 ? 6.733 10.452 5.455 1.00 84.32 91 A 1 ATOM 770 C CZ . ARG A 1 91 ? 6.015 10.610 6.554 1.00 78.54 91 A 1 ATOM 771 N NH1 . ARG A 1 91 ? 6.269 11.550 7.416 1.00 71.90 91 A 1 ATOM 772 N NH2 . ARG A 1 91 ? 5.014 9.831 6.805 1.00 71.25 91 A 1 ATOM 773 N N . ALA A 1 92 ? 10.151 13.895 0.663 1.00 96.50 92 A 1 ATOM 774 C CA . ALA A 1 92 ? 10.802 15.113 0.204 1.00 96.10 92 A 1 ATOM 775 C C . ALA A 1 92 ? 9.812 16.282 0.247 1.00 96.25 92 A 1 ATOM 776 O O . ALA A 1 92 ? 8.629 16.096 -0.032 1.00 95.34 92 A 1 ATOM 777 C CB . ALA A 1 92 ? 11.329 14.874 -1.212 1.00 95.01 92 A 1 ATOM 778 N N . GLY A 1 93 ? 10.282 17.475 0.591 1.00 95.46 93 A 1 ATOM 779 C CA . GLY A 1 93 ? 9.461 18.689 0.624 1.00 94.61 93 A 1 ATOM 780 C C . GLY A 1 93 ? 9.165 19.246 -0.766 1.00 94.51 93 A 1 ATOM 781 O O . GLY A 1 93 ? 8.142 19.896 -0.967 1.00 92.64 93 A 1 ATOM 782 N N . THR A 1 94 ? 10.030 18.958 -1.737 1.00 93.61 94 A 1 ATOM 783 C CA . THR A 1 94 ? 9.924 19.470 -3.109 1.00 93.29 94 A 1 ATOM 784 C C . THR A 1 94 ? 10.234 18.394 -4.153 1.00 93.73 94 A 1 ATOM 785 O O . THR A 1 94 ? 10.855 17.365 -3.865 1.00 93.62 94 A 1 ATOM 786 C CB . THR A 1 94 ? 10.847 20.679 -3.325 1.00 92.40 94 A 1 ATOM 787 O OG1 . THR A 1 94 ? 12.194 20.279 -3.294 1.00 90.85 94 A 1 ATOM 788 C CG2 . THR A 1 94 ? 10.657 21.796 -2.300 1.00 89.64 94 A 1 ATOM 789 N N . ALA A 1 95 ? 9.833 18.642 -5.404 1.00 93.89 95 A 1 ATOM 790 C CA . ALA A 1 95 ? 10.204 17.784 -6.530 1.00 93.34 95 A 1 ATOM 791 C C . ALA A 1 95 ? 11.730 17.692 -6.699 1.00 93.65 95 A 1 ATOM 792 O O . ALA A 1 95 ? 12.250 16.623 -7.007 1.00 92.80 95 A 1 ATOM 793 C CB . ALA A 1 95 ? 9.543 18.327 -7.799 1.00 92.22 95 A 1 ATOM 794 N N . GLN A 1 96 ? 12.449 18.793 -6.465 1.00 92.47 96 A 1 ATOM 795 C CA . GLN A 1 96 ? 13.909 18.822 -6.527 1.00 92.04 96 A 1 ATOM 796 C C . GLN A 1 96 ? 14.528 17.881 -5.488 1.00 92.97 96 A 1 ATOM 797 O O . GLN A 1 96 ? 15.253 16.958 -5.864 1.00 92.93 96 A 1 ATOM 798 C CB . GLN A 1 96 ? 14.407 20.263 -6.368 1.00 90.87 96 A 1 ATOM 799 C CG . GLN A 1 96 ? 15.941 20.306 -6.278 1.00 84.17 96 A 1 ATOM 800 C CD . GLN A 1 96 ? 16.529 21.704 -6.321 1.00 78.24 96 A 1 ATOM 801 O OE1 . GLN A 1 96 ? 15.856 22.699 -6.508 1.00 72.53 96 A 1 ATOM 802 N NE2 . GLN A 1 96 ? 17.831 21.818 -6.187 1.00 67.21 96 A 1 ATOM 803 N N . GLU A 1 97 ? 14.181 18.057 -4.213 1.00 93.61 97 A 1 ATOM 804 C CA . GLU A 1 97 ? 14.654 17.184 -3.130 1.00 94.25 97 A 1 ATOM 805 C C . GLU A 1 97 ? 14.338 15.713 -3.407 1.00 95.01 97 A 1 ATOM 806 O O . GLU A 1 97 ? 15.155 14.834 -3.133 1.00 94.71 97 A 1 ATOM 807 C CB . GLU A 1 97 ? 13.967 17.574 -1.819 1.00 93.95 97 A 1 ATOM 808 C CG . GLU A 1 97 ? 14.489 18.875 -1.195 1.00 89.24 97 A 1 ATOM 809 C CD . GLU A 1 97 ? 13.614 19.333 -0.018 1.00 88.01 97 A 1 ATOM 810 O OE1 . GLU A 1 97 ? 13.752 20.504 0.381 1.00 80.66 97 A 1 ATOM 811 O OE2 . GLU A 1 97 ? 12.766 18.532 0.448 1.00 82.62 97 A 1 ATOM 812 N N . LEU A 1 98 ? 13.171 15.426 -3.995 1.00 95.43 98 A 1 ATOM 813 C CA . LEU A 1 98 ? 12.796 14.066 -4.375 1.00 95.63 98 A 1 ATOM 814 C C . LEU A 1 98 ? 13.753 13.472 -5.418 1.00 95.95 98 A 1 ATOM 815 O O . LEU A 1 98 ? 14.109 12.302 -5.322 1.00 95.45 98 A 1 ATOM 816 C CB . LEU A 1 98 ? 11.352 14.066 -4.903 1.00 95.17 98 A 1 ATOM 817 C CG . LEU A 1 98 ? 10.751 12.657 -5.008 1.00 93.04 98 A 1 ATOM 818 C CD1 . LEU A 1 98 ? 10.506 12.068 -3.620 1.00 87.99 98 A 1 ATOM 819 C CD2 . LEU A 1 98 ? 9.431 12.695 -5.778 1.00 88.21 98 A 1 ATOM 820 N N . THR A 1 99 ? 14.166 14.263 -6.410 1.00 95.07 99 A 1 ATOM 821 C CA . THR A 1 99 ? 15.096 13.807 -7.459 1.00 95.02 99 A 1 ATOM 822 C C . THR A 1 99 ? 16.530 13.622 -6.963 1.00 95.33 99 A 1 ATOM 823 O O . THR A 1 99 ? 17.275 12.829 -7.539 1.00 94.67 99 A 1 ATOM 824 C CB . THR A 1 99 ? 15.097 14.718 -8.694 1.00 94.33 99 A 1 ATOM 825 O OG1 . THR A 1 99 ? 15.505 16.035 -8.439 1.00 90.60 99 A 1 ATOM 826 C CG2 . THR A 1 99 ? 13.738 14.754 -9.391 1.00 89.23 99 A 1 ATOM 827 N N . GLU A 1 100 ? 16.904 14.323 -5.898 1.00 95.10 100 A 1 ATOM 828 C CA . GLU A 1 100 ? 18.232 14.286 -5.274 1.00 95.24 100 A 1 ATOM 829 C C . GLU A 1 100 ? 18.309 13.304 -4.095 1.00 95.82 100 A 1 ATOM 830 O O . GLU A 1 100 ? 19.395 13.028 -3.578 1.00 95.04 100 A 1 ATOM 831 C CB . GLU A 1 100 ? 18.606 15.711 -4.837 1.00 94.44 100 A 1 ATOM 832 C CG . GLU A 1 100 ? 18.789 16.630 -6.056 1.00 92.43 100 A 1 ATOM 833 C CD . GLU A 1 100 ? 19.059 18.098 -5.697 1.00 90.08 100 A 1 ATOM 834 O OE1 . GLU A 1 100 ? 19.253 18.880 -6.665 1.00 83.67 100 A 1 ATOM 835 O OE2 . GLU A 1 100 ? 19.045 18.464 -4.509 1.00 84.25 100 A 1 ATOM 836 N N . ALA A 1 101 ? 17.166 12.741 -3.681 1.00 96.76 101 A 1 ATOM 837 C CA . ALA A 1 101 ? 17.094 11.803 -2.574 1.00 96.72 101 A 1 ATOM 838 C C . ALA A 1 101 ? 17.956 10.548 -2.813 1.00 97.12 101 A 1 ATOM 839 O O . ALA A 1 101 ? 18.136 10.058 -3.933 1.00 96.62 101 A 1 ATOM 840 C CB . ALA A 1 101 ? 15.626 11.441 -2.312 1.00 96.31 101 A 1 ATOM 841 N N . THR A 1 102 ? 18.451 9.977 -1.717 1.00 96.91 102 A 1 ATOM 842 C CA . THR A 1 102 ? 19.149 8.686 -1.757 1.00 96.67 102 A 1 ATOM 843 C C . THR A 1 102 ? 18.130 7.561 -1.874 1.00 96.77 102 A 1 ATOM 844 O O . THR A 1 102 ? 17.339 7.322 -0.961 1.00 96.03 102 A 1 ATOM 845 C CB . THR A 1 102 ? 20.039 8.492 -0.527 1.00 95.90 102 A 1 ATOM 846 O OG1 . THR A 1 102 ? 20.983 9.538 -0.476 1.00 91.21 102 A 1 ATOM 847 C CG2 . THR A 1 102 ? 20.841 7.189 -0.586 1.00 89.74 102 A 1 ATOM 848 N N . PHE A 1 103 ? 18.162 6.862 -3.000 1.00 96.67 103 A 1 ATOM 849 C CA . PHE A 1 103 ? 17.298 5.707 -3.246 1.00 96.77 103 A 1 ATOM 850 C C . PHE A 1 103 ? 17.972 4.413 -2.775 1.00 96.80 103 A 1 ATOM 851 O O . PHE A 1 103 ? 19.190 4.277 -2.924 1.00 95.28 103 A 1 ATOM 852 C CB . PHE A 1 103 ? 16.932 5.623 -4.732 1.00 96.07 103 A 1 ATOM 853 C CG . PHE A 1 103 ? 15.956 6.698 -5.173 1.00 96.36 103 A 1 ATOM 854 C CD1 . PHE A 1 103 ? 14.604 6.375 -5.381 1.00 93.49 103 A 1 ATOM 855 C CD2 . PHE A 1 103 ? 16.387 8.025 -5.340 1.00 93.55 103 A 1 ATOM 856 C CE1 . PHE A 1 103 ? 13.692 7.378 -5.752 1.00 92.48 103 A 1 ATOM 857 C CE2 . PHE A 1 103 ? 15.474 9.027 -5.699 1.00 92.77 103 A 1 ATOM 858 C CZ . PHE A 1 103 ? 14.126 8.705 -5.905 1.00 93.76 103 A 1 ATOM 859 N N . PRO A 1 104 ? 17.194 3.448 -2.252 1.00 96.69 104 A 1 ATOM 860 C CA . PRO A 1 104 ? 17.713 2.114 -1.974 1.00 96.14 104 A 1 ATOM 861 C C . PRO A 1 104 ? 18.165 1.425 -3.270 1.00 96.73 104 A 1 ATOM 862 O O . PRO A 1 104 ? 17.628 1.697 -4.350 1.00 96.32 104 A 1 ATOM 863 C CB . PRO A 1 104 ? 16.560 1.375 -1.288 1.00 94.92 104 A 1 ATOM 864 C CG . PRO A 1 104 ? 15.316 2.048 -1.862 1.00 93.36 104 A 1 ATOM 865 C CD . PRO A 1 104 ? 15.754 3.497 -2.037 1.00 95.73 104 A 1 ATOM 866 N N . ASP A 1 105 ? 19.119 0.506 -3.152 1.00 95.91 105 A 1 ATOM 867 C CA . ASP A 1 105 ? 19.631 -0.298 -4.277 1.00 95.54 105 A 1 ATOM 868 C C . ASP A 1 105 ? 18.632 -1.406 -4.654 1.00 95.22 105 A 1 ATOM 869 O O . ASP A 1 105 ? 18.800 -2.589 -4.353 1.00 92.99 105 A 1 ATOM 870 C CB . ASP A 1 105 ? 21.033 -0.822 -3.925 1.00 94.01 105 A 1 ATOM 871 C CG . ASP A 1 105 ? 21.742 -1.480 -5.118 1.00 84.33 105 A 1 ATOM 872 O OD1 . ASP A 1 105 ? 21.351 -1.177 -6.264 1.00 77.82 105 A 1 ATOM 873 O OD2 . ASP A 1 105 ? 22.695 -2.251 -4.855 1.00 79.65 105 A 1 ATOM 874 N N . PHE A 1 106 ? 17.509 -0.982 -5.232 1.00 91.24 106 A 1 ATOM 875 C CA . PHE A 1 106 ? 16.419 -1.840 -5.674 1.00 91.35 106 A 1 ATOM 876 C C . PHE A 1 106 ? 16.216 -1.679 -7.180 1.00 93.78 106 A 1 ATOM 877 O O . PHE A 1 106 ? 16.191 -0.561 -7.692 1.00 92.35 106 A 1 ATOM 878 C CB . PHE A 1 106 ? 15.104 -1.491 -4.947 1.00 87.09 106 A 1 ATOM 879 C CG . PHE A 1 106 ? 15.056 -1.636 -3.435 1.00 87.97 106 A 1 ATOM 880 C CD1 . PHE A 1 106 ? 15.964 -2.449 -2.736 1.00 81.89 106 A 1 ATOM 881 C CD2 . PHE A 1 106 ? 14.050 -0.955 -2.720 1.00 82.13 106 A 1 ATOM 882 C CE1 . PHE A 1 106 ? 15.886 -2.565 -1.334 1.00 77.70 106 A 1 ATOM 883 C CE2 . PHE A 1 106 ? 13.964 -1.073 -1.322 1.00 79.99 106 A 1 ATOM 884 C CZ . PHE A 1 106 ? 14.889 -1.870 -0.628 1.00 79.59 106 A 1 ATOM 885 N N . GLN A 1 107 ? 15.904 -2.784 -7.859 1.00 95.25 107 A 1 ATOM 886 C CA . GLN A 1 107 ? 15.459 -2.744 -9.256 1.00 95.82 107 A 1 ATOM 887 C C . GLN A 1 107 ? 14.283 -1.768 -9.462 1.00 96.50 107 A 1 ATOM 888 O O . GLN A 1 107 ? 14.174 -1.099 -10.488 1.00 95.96 107 A 1 ATOM 889 C CB . GLN A 1 107 ? 15.047 -4.174 -9.665 1.00 94.76 107 A 1 ATOM 890 C CG . GLN A 1 107 ? 14.631 -4.245 -11.140 1.00 90.64 107 A 1 ATOM 891 C CD . GLN A 1 107 ? 14.147 -5.619 -11.582 1.00 88.36 107 A 1 ATOM 892 O OE1 . GLN A 1 107 ? 13.894 -6.537 -10.812 1.00 82.38 107 A 1 ATOM 893 N NE2 . GLN A 1 107 ? 13.957 -5.806 -12.870 1.00 80.53 107 A 1 ATOM 894 N N . ASP A 1 108 ? 13.388 -1.663 -8.474 1.00 96.81 108 A 1 ATOM 895 C CA . ASP A 1 108 ? 12.230 -0.771 -8.536 1.00 97.00 108 A 1 ATOM 896 C C . ASP A 1 108 ? 12.622 0.715 -8.474 1.00 97.57 108 A 1 ATOM 897 O O . ASP A 1 108 ? 11.958 1.542 -9.103 1.00 97.26 108 A 1 ATOM 898 C CB . ASP A 1 108 ? 11.249 -1.159 -7.419 1.00 96.05 108 A 1 ATOM 899 C CG . ASP A 1 108 ? 10.842 -2.627 -7.541 1.00 93.57 108 A 1 ATOM 900 O OD1 . ASP A 1 108 ? 10.124 -2.982 -8.504 1.00 88.02 108 A 1 ATOM 901 O OD2 . ASP A 1 108 ? 11.332 -3.469 -6.748 1.00 87.61 108 A 1 ATOM 902 N N . SER A 1 109 ? 13.729 1.053 -7.801 1.00 97.58 109 A 1 ATOM 903 C CA . SER A 1 109 ? 14.309 2.402 -7.826 1.00 97.68 109 A 1 ATOM 904 C C . SER A 1 109 ? 14.810 2.772 -9.221 1.00 97.88 109 A 1 ATOM 905 O O . SER A 1 109 ? 14.550 3.878 -9.693 1.00 97.63 109 A 1 ATOM 906 C CB . SER A 1 109 ? 15.482 2.521 -6.846 1.00 97.04 109 A 1 ATOM 907 O OG . SER A 1 109 ? 15.082 2.201 -5.530 1.00 90.75 109 A 1 ATOM 908 N N . ASP A 1 110 ? 15.476 1.837 -9.909 1.00 97.77 110 A 1 ATOM 909 C CA . ASP A 1 110 ? 15.964 2.058 -11.274 1.00 97.72 110 A 1 ATOM 910 C C . ASP A 1 110 ? 14.813 2.241 -12.263 1.00 97.90 110 A 1 ATOM 911 O O . ASP A 1 110 ? 14.839 3.154 -13.090 1.00 97.53 110 A 1 ATOM 912 C CB . ASP A 1 110 ? 16.847 0.883 -11.716 1.00 97.18 110 A 1 ATOM 913 C CG . ASP A 1 110 ? 18.120 0.755 -10.885 1.00 95.00 110 A 1 ATOM 914 O OD1 . ASP A 1 110 ? 18.605 1.808 -10.405 1.00 91.37 110 A 1 ATOM 915 O OD2 . ASP A 1 110 ? 18.582 -0.399 -10.767 1.00 91.14 110 A 1 ATOM 916 N N . ILE A 1 111 ? 13.763 1.432 -12.133 1.00 97.85 111 A 1 ATOM 917 C CA . ILE A 1 111 ? 12.547 1.563 -12.946 1.00 97.74 111 A 1 ATOM 918 C C . ILE A 1 111 ? 11.895 2.933 -12.728 1.00 97.89 111 A 1 ATOM 919 O O . ILE A 1 111 ? 11.531 3.595 -13.702 1.00 97.55 111 A 1 ATOM 920 C CB . ILE A 1 111 ? 11.565 0.406 -12.642 1.00 97.46 111 A 1 ATOM 921 C CG1 . ILE A 1 111 ? 12.145 -0.943 -13.137 1.00 96.82 111 A 1 ATOM 922 C CG2 . ILE A 1 111 ? 10.201 0.654 -13.310 1.00 96.61 111 A 1 ATOM 923 C CD1 . ILE A 1 111 ? 11.407 -2.174 -12.596 1.00 93.80 111 A 1 ATOM 924 N N . LEU A 1 112 ? 11.771 3.383 -11.477 1.00 97.86 112 A 1 ATOM 925 C CA . LEU A 1 112 ? 11.221 4.701 -11.169 1.00 97.98 112 A 1 ATOM 926 C C . LEU A 1 112 ? 12.068 5.814 -11.800 1.00 98.00 112 A 1 ATOM 927 O O . LEU A 1 112 ? 11.523 6.664 -12.501 1.00 97.80 112 A 1 ATOM 928 C CB . LEU A 1 112 ? 11.098 4.866 -9.644 1.00 97.92 112 A 1 ATOM 929 C CG . LEU A 1 112 ? 10.622 6.268 -9.209 1.00 97.53 112 A 1 ATOM 930 C CD1 . LEU A 1 112 ? 9.230 6.612 -9.724 1.00 96.51 112 A 1 ATOM 931 C CD2 . LEU A 1 112 ? 10.602 6.350 -7.684 1.00 96.46 112 A 1 ATOM 932 N N . LYS A 1 113 ? 13.396 5.790 -11.615 1.00 97.69 113 A 1 ATOM 933 C CA . LYS A 1 113 ? 14.323 6.789 -12.179 1.00 97.51 113 A 1 ATOM 934 C C . LYS A 1 113 ? 14.291 6.827 -13.709 1.00 97.48 113 A 1 ATOM 935 O O . LYS A 1 113 ? 14.410 7.895 -14.308 1.00 97.15 113 A 1 ATOM 936 C CB . LYS A 1 113 ? 15.748 6.487 -11.696 1.00 97.26 113 A 1 ATOM 937 C CG . LYS A 1 113 ? 15.963 6.841 -10.217 1.00 96.04 113 A 1 ATOM 938 C CD . LYS A 1 113 ? 17.347 6.356 -9.768 1.00 93.45 113 A 1 ATOM 939 C CE . LYS A 1 113 ? 17.598 6.718 -8.305 1.00 88.59 113 A 1 ATOM 940 N NZ . LYS A 1 113 ? 18.899 6.181 -7.827 1.00 81.64 113 A 1 ATOM 941 N N . ALA A 1 114 ? 14.094 5.678 -14.351 1.00 97.58 114 A 1 ATOM 942 C CA . ALA A 1 114 ? 13.972 5.581 -15.804 1.00 97.47 114 A 1 ATOM 943 C C . ALA A 1 114 ? 12.596 6.018 -16.345 1.00 97.48 114 A 1 ATOM 944 O O . ALA A 1 114 ? 12.460 6.218 -17.559 1.00 96.85 114 A 1 ATOM 945 C CB . ALA A 1 114 ? 14.304 4.143 -16.213 1.00 97.24 114 A 1 ATOM 946 N N . SER A 1 115 ? 11.584 6.171 -15.486 1.00 97.52 115 A 1 ATOM 947 C CA . SER A 1 115 ? 10.219 6.512 -15.894 1.00 97.36 115 A 1 ATOM 948 C C . SER A 1 115 ? 10.107 7.942 -16.430 1.00 97.37 115 A 1 ATOM 949 O O . SER A 1 115 ? 10.821 8.853 -16.007 1.00 97.01 115 A 1 ATOM 950 C CB . SER A 1 115 ? 9.224 6.285 -14.749 1.00 97.17 115 A 1 ATOM 951 O OG . SER A 1 115 ? 9.332 7.286 -13.755 1.00 95.32 115 A 1 ATOM 952 N N . ASP A 1 116 ? 9.149 8.164 -17.330 1.00 97.04 116 A 1 ATOM 953 C CA . ASP A 1 116 ? 8.865 9.506 -17.857 1.00 96.63 116 A 1 ATOM 954 C C . ASP A 1 116 ? 8.349 10.444 -16.766 1.00 96.50 116 A 1 ATOM 955 O O . ASP A 1 116 ? 8.662 11.636 -16.775 1.00 95.52 116 A 1 ATOM 956 C CB . ASP A 1 116 ? 7.862 9.401 -19.015 1.00 96.10 116 A 1 ATOM 957 C CG . ASP A 1 116 ? 8.419 8.599 -20.196 1.00 92.04 116 A 1 ATOM 958 O OD1 . ASP A 1 116 ? 9.670 8.577 -20.372 1.00 88.22 116 A 1 ATOM 959 O OD2 . ASP A 1 116 ? 7.589 7.970 -20.881 1.00 88.37 116 A 1 ATOM 960 N N . PHE A 1 117 ? 7.646 9.903 -15.777 1.00 96.69 117 A 1 ATOM 961 C CA . PHE A 1 117 ? 7.253 10.643 -14.587 1.00 96.35 117 A 1 ATOM 962 C C . PHE A 1 117 ? 8.472 11.255 -13.881 1.00 96.37 117 A 1 ATOM 963 O O . PHE A 1 117 ? 8.535 12.470 -13.719 1.00 95.73 117 A 1 ATOM 964 C CB . PHE A 1 117 ? 6.464 9.723 -13.645 1.00 96.05 117 A 1 ATOM 965 C CG . PHE A 1 117 ? 6.245 10.336 -12.276 1.00 96.18 117 A 1 ATOM 966 C CD1 . PHE A 1 117 ? 7.086 9.991 -11.200 1.00 94.91 117 A 1 ATOM 967 C CD2 . PHE A 1 117 ? 5.252 11.316 -12.099 1.00 95.30 117 A 1 ATOM 968 C CE1 . PHE A 1 117 ? 6.940 10.629 -9.958 1.00 94.53 117 A 1 ATOM 969 C CE2 . PHE A 1 117 ? 5.107 11.955 -10.857 1.00 94.45 117 A 1 ATOM 970 C CZ . PHE A 1 117 ? 5.953 11.614 -9.787 1.00 94.77 117 A 1 ATOM 971 N N . PHE A 1 118 ? 9.475 10.448 -13.530 1.00 96.77 118 A 1 ATOM 972 C CA . PHE A 1 118 ? 10.656 10.929 -12.810 1.00 96.55 118 A 1 ATOM 973 C C . PHE A 1 118 ? 11.487 11.909 -13.657 1.00 96.16 118 A 1 ATOM 974 O O . PHE A 1 118 ? 11.911 12.959 -13.168 1.00 95.15 118 A 1 ATOM 975 C CB . PHE A 1 118 ? 11.487 9.732 -12.355 1.00 96.21 118 A 1 ATOM 976 C CG . PHE A 1 118 ? 12.485 10.073 -11.269 1.00 96.47 118 A 1 ATOM 977 C CD1 . PHE A 1 118 ? 13.809 10.414 -11.592 1.00 95.14 118 A 1 ATOM 978 C CD2 . PHE A 1 118 ? 12.083 10.040 -9.918 1.00 95.39 118 A 1 ATOM 979 C CE1 . PHE A 1 118 ? 14.731 10.705 -10.571 1.00 94.72 118 A 1 ATOM 980 C CE2 . PHE A 1 118 ? 13.006 10.328 -8.898 1.00 94.83 118 A 1 ATOM 981 C CZ . PHE A 1 118 ? 14.332 10.658 -9.225 1.00 95.47 118 A 1 ATOM 982 N N . LYS A 1 119 ? 11.649 11.631 -14.954 1.00 95.97 119 A 1 ATOM 983 C CA . LYS A 1 119 ? 12.303 12.556 -15.899 1.00 95.26 119 A 1 ATOM 984 C C . LYS A 1 119 ? 11.581 13.904 -15.975 1.00 94.56 119 A 1 ATOM 985 O O . LYS A 1 119 ? 12.243 14.938 -16.033 1.00 93.49 119 A 1 ATOM 986 C CB . LYS A 1 119 ? 12.355 11.926 -17.293 1.00 95.36 119 A 1 ATOM 987 C CG . LYS A 1 119 ? 13.287 10.709 -17.384 1.00 94.19 119 A 1 ATOM 988 C CD . LYS A 1 119 ? 13.068 10.039 -18.747 1.00 91.51 119 A 1 ATOM 989 C CE . LYS A 1 119 ? 13.721 8.661 -18.812 1.00 88.80 119 A 1 ATOM 990 N NZ . LYS A 1 119 ? 13.037 7.829 -19.835 1.00 81.40 119 A 1 ATOM 991 N N . SER A 1 120 ? 10.248 13.915 -15.926 1.00 95.26 120 A 1 ATOM 992 C CA . SER A 1 120 ? 9.478 15.162 -15.934 1.00 94.00 120 A 1 ATOM 993 C C . SER A 1 120 ? 9.737 16.032 -14.697 1.00 93.24 120 A 1 ATOM 994 O O . SER A 1 120 ? 9.759 17.258 -14.814 1.00 91.49 120 A 1 ATOM 995 C CB . SER A 1 120 ? 7.979 14.879 -16.106 1.00 93.59 120 A 1 ATOM 996 O OG . SER A 1 120 ? 7.346 14.505 -14.895 1.00 86.27 120 A 1 ATOM 997 N N . LEU A 1 121 ? 10.002 15.425 -13.535 1.00 93.60 121 A 1 ATOM 998 C CA . LEU A 1 121 ? 10.379 16.161 -12.324 1.00 91.95 121 A 1 ATOM 999 C C . LEU A 1 121 ? 11.747 16.838 -12.486 1.00 90.53 121 A 1 ATOM 1000 O O . LEU A 1 121 ? 11.902 18.004 -12.127 1.00 87.87 121 A 1 ATOM 1001 C CB . LEU A 1 121 ? 10.389 15.220 -11.104 1.00 91.81 121 A 1 ATOM 1002 C CG . LEU A 1 121 ? 9.044 14.562 -10.746 1.00 90.25 121 A 1 ATOM 1003 C CD1 . LEU A 1 121 ? 9.241 13.650 -9.535 1.00 87.42 121 A 1 ATOM 1004 C CD2 . LEU A 1 121 ? 7.964 15.590 -10.407 1.00 87.22 121 A 1 ATOM 1005 N N . ILE A 1 122 ? 12.715 16.142 -13.096 1.00 90.83 122 A 1 ATOM 1006 C CA . ILE A 1 122 ? 14.049 16.688 -13.392 1.00 89.39 122 A 1 ATOM 1007 C C . ILE A 1 122 ? 13.951 17.861 -14.379 1.00 87.18 122 A 1 ATOM 1008 O O . ILE A 1 122 ? 14.604 18.889 -14.201 1.00 84.40 122 A 1 ATOM 1009 C CB . ILE A 1 122 ? 14.978 15.574 -13.931 1.00 89.73 122 A 1 ATOM 1010 C CG1 . ILE A 1 122 ? 15.175 14.460 -12.873 1.00 87.86 122 A 1 ATOM 1011 C CG2 . ILE A 1 122 ? 16.346 16.149 -14.358 1.00 86.82 122 A 1 ATOM 1012 C CD1 . ILE A 1 122 ? 15.889 13.209 -13.397 1.00 81.46 122 A 1 ATOM 1013 N N . GLN A 1 123 ? 13.112 17.750 -15.415 1.00 88.21 123 A 1 ATOM 1014 C CA . GLN A 1 123 ? 12.920 18.811 -16.411 1.00 85.46 123 A 1 ATOM 1015 C C . GLN A 1 123 ? 12.269 20.069 -15.821 1.00 81.90 123 A 1 ATOM 1016 O O . GLN A 1 123 ? 12.679 21.179 -16.164 1.00 79.05 123 A 1 ATOM 1017 C CB . GLN A 1 123 ? 12.073 18.278 -17.567 1.00 85.09 123 A 1 ATOM 1018 C CG . GLN A 1 123 ? 12.853 17.282 -18.442 1.00 79.61 123 A 1 ATOM 1019 C CD . GLN A 1 123 ? 11.968 16.625 -19.499 1.00 75.39 123 A 1 ATOM 1020 O OE1 . GLN A 1 123 ? 10.759 16.780 -19.548 1.00 70.41 123 A 1 ATOM 1021 N NE2 . GLN A 1 123 ? 12.541 15.850 -20.391 1.00 67.55 123 A 1 ATOM 1022 N N . ARG A 1 124 ? 11.295 19.919 -14.917 1.00 79.34 124 A 1 ATOM 1023 C CA . ARG A 1 124 ? 10.698 21.061 -14.205 1.00 75.98 124 A 1 ATOM 1024 C C . ARG A 1 124 ? 11.743 21.829 -13.405 1.00 75.22 124 A 1 ATOM 1025 O O . ARG A 1 124 ? 11.799 23.051 -13.523 1.00 72.56 124 A 1 ATOM 1026 C CB . ARG A 1 124 ? 9.558 20.599 -13.288 1.00 73.35 124 A 1 ATOM 1027 C CG . ARG A 1 124 ? 8.301 20.251 -14.084 1.00 67.31 124 A 1 ATOM 1028 C CD . ARG A 1 124 ? 7.217 19.759 -13.122 1.00 65.52 124 A 1 ATOM 1029 N NE . ARG A 1 124 ? 6.015 19.321 -13.850 1.00 59.30 124 A 1 ATOM 1030 C CZ . ARG A 1 124 ? 4.853 19.014 -13.307 1.00 54.27 124 A 1 ATOM 1031 N NH1 . ARG A 1 124 ? 4.649 19.098 -12.020 1.00 51.46 124 A 1 ATOM 1032 N NH2 . ARG A 1 124 ? 3.864 18.605 -14.050 1.00 47.99 124 A 1 ATOM 1033 N N . LYS A 1 125 ? 12.627 21.128 -12.699 1.00 73.71 125 A 1 ATOM 1034 C CA . LYS A 1 125 ? 13.761 21.745 -11.998 1.00 70.56 125 A 1 ATOM 1035 C C . LYS A 1 125 ? 14.598 22.625 -12.935 1.00 70.34 125 A 1 ATOM 1036 O O . LYS A 1 125 ? 14.927 23.752 -12.583 1.00 68.81 125 A 1 ATOM 1037 C CB . LYS A 1 125 ? 14.615 20.631 -11.361 1.00 66.76 125 A 1 ATOM 1038 C CG . LYS A 1 125 ? 15.871 21.174 -10.666 1.00 61.38 125 A 1 ATOM 1039 C CD . LYS A 1 125 ? 16.820 20.051 -10.235 1.00 59.31 125 A 1 ATOM 1040 C CE . LYS A 1 125 ? 18.113 20.672 -9.700 1.00 53.77 125 A 1 ATOM 1041 N NZ . LYS A 1 125 ? 19.081 19.645 -9.262 1.00 47.56 125 A 1 ATOM 1042 N N . ALA A 1 126 ? 14.941 22.127 -14.123 1.00 70.31 126 A 1 ATOM 1043 C CA . ALA A 1 126 ? 15.760 22.878 -15.073 1.00 73.13 126 A 1 ATOM 1044 C C . ALA A 1 126 ? 15.063 24.160 -15.565 1.00 72.37 126 A 1 ATOM 1045 O O . ALA A 1 126 ? 15.719 25.186 -15.734 1.00 69.62 126 A 1 ATOM 1046 C CB . ALA A 1 126 ? 16.131 21.949 -16.237 1.00 70.75 126 A 1 ATOM 1047 N N . ALA A 1 127 ? 13.739 24.116 -15.757 1.00 70.08 127 A 1 ATOM 1048 C CA . ALA A 1 127 ? 12.953 25.280 -16.159 1.00 71.69 127 A 1 ATOM 1049 C C . ALA A 1 127 ? 12.867 26.343 -15.046 1.00 70.99 127 A 1 ATOM 1050 O O . ALA A 1 127 ? 13.115 27.521 -15.311 1.00 67.45 127 A 1 ATOM 1051 C CB . ALA A 1 127 ? 11.571 24.797 -16.611 1.00 69.58 127 A 1 ATOM 1052 N N . ASP A 1 128 ? 12.601 25.938 -13.810 1.00 68.48 128 A 1 ATOM 1053 C CA . ASP A 1 128 ? 12.460 26.850 -12.665 1.00 69.82 128 A 1 ATOM 1054 C C . ASP A 1 128 ? 13.777 27.579 -12.339 1.00 67.68 128 A 1 ATOM 1055 O O . ASP A 1 128 ? 13.776 28.780 -12.060 1.00 66.12 128 A 1 ATOM 1056 C CB . ASP A 1 128 ? 11.959 26.064 -11.434 1.00 66.68 128 A 1 ATOM 1057 C CG . ASP A 1 128 ? 10.505 25.572 -11.533 1.00 59.04 128 A 1 ATOM 1058 O OD1 . ASP A 1 128 ? 9.733 26.109 -12.358 1.00 55.93 128 A 1 ATOM 1059 O OD2 . ASP A 1 128 ? 10.157 24.648 -10.759 1.00 54.69 128 A 1 ATOM 1060 N N . VAL A 1 129 ? 14.927 26.894 -12.440 1.00 69.42 129 A 1 ATOM 1061 C CA . VAL A 1 129 ? 16.255 27.512 -12.252 1.00 73.81 129 A 1 ATOM 1062 C C . VAL A 1 129 ? 16.520 28.567 -13.329 1.00 74.45 129 A 1 ATOM 1063 O O . VAL A 1 129 ? 16.942 29.679 -13.015 1.00 70.58 129 A 1 ATOM 1064 C CB . VAL A 1 129 ? 17.364 26.441 -12.219 1.00 70.19 129 A 1 ATOM 1065 C CG1 . VAL A 1 129 ? 18.773 27.048 -12.196 1.00 62.82 129 A 1 ATOM 1066 C CG2 . VAL A 1 129 ? 17.233 25.569 -10.961 1.00 65.98 129 A 1 ATOM 1067 N N . THR A 1 130 ? 16.198 28.271 -14.597 1.00 68.11 130 A 1 ATOM 1068 C CA . THR A 1 130 ? 16.426 29.203 -15.717 1.00 73.41 130 A 1 ATOM 1069 C C . THR A 1 130 ? 15.588 30.483 -15.592 1.00 72.12 130 A 1 ATOM 1070 O O . THR A 1 130 ? 15.987 31.532 -16.092 1.00 68.72 130 A 1 ATOM 1071 C CB . THR A 1 130 ? 16.125 28.521 -17.060 1.00 71.03 130 A 1 ATOM 1072 O OG1 . THR A 1 130 ? 16.783 27.274 -17.168 1.00 64.39 130 A 1 ATOM 1073 C CG2 . THR A 1 130 ? 16.610 29.337 -18.261 1.00 63.43 130 A 1 ATOM 1074 N N . GLN A 1 131 ? 14.433 30.426 -14.934 1.00 69.76 131 A 1 ATOM 1075 C CA . GLN A 1 131 ? 13.524 31.564 -14.778 1.00 73.76 131 A 1 ATOM 1076 C C . GLN A 1 131 ? 13.838 32.438 -13.547 1.00 70.95 131 A 1 ATOM 1077 O O . GLN A 1 131 ? 13.348 33.564 -13.460 1.00 69.78 131 A 1 ATOM 1078 C CB . GLN A 1 131 ? 12.087 31.016 -14.795 1.00 72.70 131 A 1 ATOM 1079 C CG . GLN A 1 131 ? 11.048 32.120 -15.041 1.00 63.83 131 A 1 ATOM 1080 C CD . GLN A 1 131 ? 9.800 31.649 -15.781 1.00 57.50 131 A 1 ATOM 1081 O OE1 . GLN A 1 131 ? 9.567 30.490 -16.068 1.00 54.86 131 A 1 ATOM 1082 N NE2 . GLN A 1 131 ? 8.936 32.568 -16.161 1.00 51.17 131 A 1 ATOM 1083 N N . THR A 1 132 ? 14.643 31.946 -12.616 1.00 69.77 132 A 1 ATOM 1084 C CA . THR A 1 132 ? 15.058 32.692 -11.410 1.00 73.23 132 A 1 ATOM 1085 C C . THR A 1 132 ? 16.329 33.530 -11.648 1.00 71.20 132 A 1 ATOM 1086 O O . THR A 1 132 ? 16.600 34.452 -10.881 1.00 66.25 132 A 1 ATOM 1087 C CB . THR A 1 132 ? 15.239 31.736 -10.218 1.00 70.78 132 A 1 ATOM 1088 O OG1 . THR A 1 132 ? 14.150 30.834 -10.122 1.00 65.23 132 A 1 ATOM 1089 C CG2 . THR A 1 132 ? 15.275 32.453 -8.871 1.00 64.52 132 A 1 ATOM 1090 N N . ASP A 1 133 ? 17.074 33.250 -12.721 1.00 57.86 133 A 1 ATOM 1091 C CA . ASP A 1 133 ? 18.327 33.935 -13.090 1.00 64.30 133 A 1 ATOM 1092 C C . ASP A 1 133 ? 18.130 35.110 -14.086 1.00 59.57 133 A 1 ATOM 1093 O O . ASP A 1 133 ? 19.104 35.590 -14.675 1.00 55.96 133 A 1 ATOM 1094 C CB . ASP A 1 133 ? 19.339 32.896 -13.627 1.00 62.24 133 A 1 ATOM 1095 C CG . ASP A 1 133 ? 19.959 31.973 -12.559 1.00 55.93 133 A 1 ATOM 1096 O OD1 . ASP A 1 133 ? 20.027 32.370 -11.374 1.00 53.77 133 A 1 ATOM 1097 O OD2 . ASP A 1 133 ? 20.429 30.876 -12.952 1.00 53.98 133 A 1 ATOM 1098 N N . ILE A 1 134 ? 16.890 35.590 -14.292 1.00 70.05 134 A 1 ATOM 1099 C CA . ILE A 1 134 ? 16.535 36.742 -15.149 1.00 74.96 134 A 1 ATOM 1100 C C . ILE A 1 134 ? 15.914 37.852 -14.289 1.00 69.88 134 A 1 ATOM 1101 O O . ILE A 1 134 ? 16.304 39.022 -14.478 1.00 61.98 134 A 1 ATOM 1102 C CB . ILE A 1 134 ? 15.580 36.323 -16.291 1.00 66.72 134 A 1 ATOM 1103 C CG1 . ILE A 1 134 ? 16.148 35.171 -17.135 1.00 59.10 134 A 1 ATOM 1104 C CG2 . ILE A 1 134 ? 15.275 37.553 -17.180 1.00 58.82 134 A 1 ATOM 1105 C CD1 . ILE A 1 134 ? 15.187 34.651 -18.228 1.00 57.07 134 A 1 ATOM 1106 O OXT . ILE A 1 134 ? 15.044 37.500 -13.472 1.00 55.71 134 A 1 #