# 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_adfn # _entry.id adfn # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n SER 2 1 n GLU 3 1 n LEU 4 1 n GLU 5 1 n ILE 6 1 n ARG 7 1 n SER 8 1 n ASN 9 1 n PHE 10 1 n ARG 11 1 n TRP 12 1 n PRO 13 1 n SER 14 1 n CYS 15 1 n ALA 16 1 n LEU 17 1 n SER 18 1 n ASN 19 1 n PHE 20 1 n ALA 21 1 n GLN 22 1 n TRP 23 1 n PRO 24 1 n PHE 25 1 n VAL 26 1 n MET 27 1 n ASP 28 1 n GLY 29 1 n ILE 30 1 n GLN 31 1 n PHE 32 1 n GLY 33 1 n GLY 34 1 n LEU 35 1 n GLU 36 1 n GLY 37 1 n PHE 38 1 n LEU 39 1 n GLN 40 1 n GLY 41 1 n CYS 42 1 n LYS 43 1 n VAL 44 1 n LYS 45 1 n ASN 46 1 n VAL 47 1 n GLU 48 1 n GLN 49 1 n GLN 50 1 n ARG 51 1 n ARG 52 1 n ILE 53 1 n PHE 54 1 n GLY 55 1 n LEU 56 1 n SER 57 1 n GLY 58 1 n LEU 59 1 n ALA 60 1 n ALA 61 1 n GLN 62 1 n GLN 63 1 n ALA 64 1 n GLY 65 1 n ARG 66 1 n SER 67 1 n TYR 68 1 n ALA 69 1 n ARG 70 1 n ALA 71 1 n GLN 72 1 n ASP 73 1 n ARG 74 1 n GLY 75 1 n THR 76 1 n LEU 77 1 n PHE 78 1 n TRP 79 1 n LEU 80 1 n GLY 81 1 n VAL 82 1 n PRO 83 1 n PHE 84 1 n SER 85 1 n ARG 86 1 n TYR 87 1 n SER 88 1 n PRO 89 1 n ALA 90 1 n TRP 91 1 n LYS 92 1 n GLU 93 1 n LEU 94 1 n TYR 95 1 n THR 96 1 n ASN 97 1 n ALA 98 1 n TYR 99 1 n PHE 100 1 n GLU 101 1 n ALA 102 1 n ALA 103 1 n ILE 104 1 n GLN 105 1 n ASN 106 1 n LYS 107 1 n GLY 108 1 n PHE 109 1 n ARG 110 1 n ASP 111 1 n ALA 112 1 n LEU 113 1 n LEU 114 1 n ALA 115 1 n SER 116 1 n LYS 117 1 n GLY 118 1 n LYS 119 1 n VAL 120 1 n LEU 121 1 n LYS 122 1 n HIS 123 1 n SER 124 1 n MET 125 1 n ALA 126 1 n SER 127 1 n GLY 128 1 n LEU 129 1 n THR 130 1 n LYS 131 1 n ASP 132 1 n ASP 133 1 n THR 134 1 n ILE 135 1 n LEU 136 1 n THR 137 1 n GLU 138 1 n ALA 139 1 n GLU 140 1 n PHE 141 1 n ILE 142 1 n ASP 143 1 n VAL 144 1 n LEU 145 1 n ASN 146 1 n LEU 147 1 n LEU 148 1 n ARG 149 1 n ASP 150 1 n SER 151 1 n LEU 152 # _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 01:28:56)" _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 91.56 _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 81.29 1 1 A SER 2 2 93.08 1 2 A GLU 3 2 90.82 1 3 A LEU 4 2 96.33 1 4 A GLU 5 2 94.23 1 5 A ILE 6 2 96.16 1 6 A ARG 7 2 85.19 1 7 A SER 8 2 94.81 1 8 A ASN 9 2 92.72 1 9 A PHE 10 2 93.48 1 10 A ARG 11 2 82.99 1 11 A TRP 12 2 95.64 1 12 A PRO 13 2 97.16 1 13 A SER 14 2 96.85 1 14 A CYS 15 2 97.43 1 15 A ALA 16 2 97.33 1 16 A LEU 17 2 97.07 1 17 A SER 18 2 96.68 1 18 A ASN 19 2 95.25 1 19 A PHE 20 2 94.60 1 20 A ALA 21 2 96.83 1 21 A GLN 22 2 88.04 1 22 A TRP 23 2 94.67 1 23 A PRO 24 2 98.01 1 24 A PHE 25 2 98.36 1 25 A VAL 26 2 98.15 1 26 A MET 27 2 97.06 1 27 A ASP 28 2 95.42 1 28 A GLY 29 2 96.88 1 29 A ILE 30 2 96.53 1 30 A GLN 31 2 88.43 1 31 A PHE 32 2 98.26 1 32 A GLY 33 2 98.31 1 33 A GLY 34 2 98.29 1 34 A LEU 35 2 98.01 1 35 A GLU 36 2 95.98 1 36 A GLY 37 2 98.19 1 37 A PHE 38 2 97.83 1 38 A LEU 39 2 96.42 1 39 A GLN 40 2 94.11 1 40 A GLY 41 2 96.43 1 41 A CYS 42 2 95.72 1 42 A LYS 43 2 92.01 1 43 A VAL 44 2 93.41 1 44 A LYS 45 2 88.63 1 45 A ASN 46 2 93.63 1 46 A VAL 47 2 95.71 1 47 A GLU 48 2 87.71 1 48 A GLN 49 2 85.07 1 49 A GLN 50 2 94.96 1 50 A ARG 51 2 91.19 1 51 A ARG 52 2 81.26 1 52 A ILE 53 2 96.85 1 53 A PHE 54 2 97.81 1 54 A GLY 55 2 98.29 1 55 A LEU 56 2 97.60 1 56 A SER 57 2 96.90 1 57 A GLY 58 2 96.78 1 58 A LEU 59 2 94.21 1 59 A ALA 60 2 97.15 1 60 A ALA 61 2 96.87 1 61 A GLN 62 2 90.02 1 62 A GLN 63 2 91.48 1 63 A ALA 64 2 93.86 1 64 A GLY 65 2 91.03 1 65 A ARG 66 2 75.61 1 66 A SER 67 2 80.46 1 67 A TYR 68 2 83.34 1 68 A ALA 69 2 68.69 1 69 A ARG 70 2 47.07 1 70 A ALA 71 2 53.46 1 71 A GLN 72 2 53.40 1 72 A ASP 73 2 65.65 1 73 A ARG 74 2 61.40 1 74 A GLY 75 2 87.26 1 75 A THR 76 2 90.26 1 76 A LEU 77 2 93.03 1 77 A PHE 78 2 93.15 1 78 A TRP 79 2 93.39 1 79 A LEU 80 2 93.57 1 80 A GLY 81 2 93.19 1 81 A VAL 82 2 94.18 1 82 A PRO 83 2 92.89 1 83 A PHE 84 2 90.39 1 84 A SER 85 2 92.79 1 85 A ARG 86 2 87.27 1 86 A TYR 87 2 90.84 1 87 A SER 88 2 94.71 1 88 A PRO 89 2 95.78 1 89 A ALA 90 2 96.00 1 90 A TRP 91 2 95.31 1 91 A LYS 92 2 93.31 1 92 A GLU 93 2 89.15 1 93 A LEU 94 2 96.97 1 94 A TYR 95 2 97.03 1 95 A THR 96 2 97.37 1 96 A ASN 97 2 92.06 1 97 A ALA 98 2 98.40 1 98 A TYR 99 2 97.53 1 99 A PHE 100 2 89.86 1 100 A GLU 101 2 96.43 1 101 A ALA 102 2 98.16 1 102 A ALA 103 2 97.64 1 103 A ILE 104 2 93.22 1 104 A GLN 105 2 97.65 1 105 A ASN 106 2 96.88 1 106 A LYS 107 2 94.50 1 107 A GLY 108 2 97.65 1 108 A PHE 109 2 97.24 1 109 A ARG 110 2 93.06 1 110 A ASP 111 2 97.04 1 111 A ALA 112 2 97.90 1 112 A LEU 113 2 96.78 1 113 A LEU 114 2 96.05 1 114 A ALA 115 2 97.42 1 115 A SER 116 2 96.92 1 116 A LYS 117 2 91.48 1 117 A GLY 118 2 95.41 1 118 A LYS 119 2 93.25 1 119 A VAL 120 2 96.35 1 120 A LEU 121 2 96.49 1 121 A LYS 122 2 88.19 1 122 A HIS 123 2 89.64 1 123 A SER 124 2 89.91 1 124 A MET 125 2 80.08 1 125 A ALA 126 2 84.80 1 126 A SER 127 2 81.98 1 127 A GLY 128 2 87.44 1 128 A LEU 129 2 87.35 1 129 A THR 130 2 88.11 1 130 A LYS 131 2 87.51 1 131 A ASP 132 2 84.78 1 132 A ASP 133 2 85.54 1 133 A THR 134 2 88.43 1 134 A ILE 135 2 90.11 1 135 A LEU 136 2 93.36 1 136 A THR 137 2 93.82 1 137 A GLU 138 2 88.37 1 138 A ALA 139 2 95.36 1 139 A GLU 140 2 94.81 1 140 A PHE 141 2 96.70 1 141 A ILE 142 2 96.34 1 142 A ASP 143 2 93.16 1 143 A VAL 144 2 96.24 1 144 A LEU 145 2 97.28 1 145 A ASN 146 2 95.71 1 146 A LEU 147 2 95.05 1 147 A LEU 148 2 92.94 1 148 A ARG 149 2 93.55 1 149 A ASP 150 2 91.75 1 150 A SER 151 2 92.00 1 151 A LEU 152 2 91.27 1 152 # _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 SER . 2 A 2 A 3 1 n GLU . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n GLU . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n ASN . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n ARG . 11 A 11 A 12 1 n TRP . 12 A 12 A 13 1 n PRO . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n CYS . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n ASN . 19 A 19 A 20 1 n PHE . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n GLN . 22 A 22 A 23 1 n TRP . 23 A 23 A 24 1 n PRO . 24 A 24 A 25 1 n PHE . 25 A 25 A 26 1 n VAL . 26 A 26 A 27 1 n MET . 27 A 27 A 28 1 n ASP . 28 A 28 A 29 1 n GLY . 29 A 29 A 30 1 n ILE . 30 A 30 A 31 1 n GLN . 31 A 31 A 32 1 n PHE . 32 A 32 A 33 1 n GLY . 33 A 33 A 34 1 n GLY . 34 A 34 A 35 1 n LEU . 35 A 35 A 36 1 n GLU . 36 A 36 A 37 1 n GLY . 37 A 37 A 38 1 n PHE . 38 A 38 A 39 1 n LEU . 39 A 39 A 40 1 n GLN . 40 A 40 A 41 1 n GLY . 41 A 41 A 42 1 n CYS . 42 A 42 A 43 1 n LYS . 43 A 43 A 44 1 n VAL . 44 A 44 A 45 1 n LYS . 45 A 45 A 46 1 n ASN . 46 A 46 A 47 1 n VAL . 47 A 47 A 48 1 n GLU . 48 A 48 A 49 1 n GLN . 49 A 49 A 50 1 n GLN . 50 A 50 A 51 1 n ARG . 51 A 51 A 52 1 n ARG . 52 A 52 A 53 1 n ILE . 53 A 53 A 54 1 n PHE . 54 A 54 A 55 1 n GLY . 55 A 55 A 56 1 n LEU . 56 A 56 A 57 1 n SER . 57 A 57 A 58 1 n GLY . 58 A 58 A 59 1 n LEU . 59 A 59 A 60 1 n ALA . 60 A 60 A 61 1 n ALA . 61 A 61 A 62 1 n GLN . 62 A 62 A 63 1 n GLN . 63 A 63 A 64 1 n ALA . 64 A 64 A 65 1 n GLY . 65 A 65 A 66 1 n ARG . 66 A 66 A 67 1 n SER . 67 A 67 A 68 1 n TYR . 68 A 68 A 69 1 n ALA . 69 A 69 A 70 1 n ARG . 70 A 70 A 71 1 n ALA . 71 A 71 A 72 1 n GLN . 72 A 72 A 73 1 n ASP . 73 A 73 A 74 1 n ARG . 74 A 74 A 75 1 n GLY . 75 A 75 A 76 1 n THR . 76 A 76 A 77 1 n LEU . 77 A 77 A 78 1 n PHE . 78 A 78 A 79 1 n TRP . 79 A 79 A 80 1 n LEU . 80 A 80 A 81 1 n GLY . 81 A 81 A 82 1 n VAL . 82 A 82 A 83 1 n PRO . 83 A 83 A 84 1 n PHE . 84 A 84 A 85 1 n SER . 85 A 85 A 86 1 n ARG . 86 A 86 A 87 1 n TYR . 87 A 87 A 88 1 n SER . 88 A 88 A 89 1 n PRO . 89 A 89 A 90 1 n ALA . 90 A 90 A 91 1 n TRP . 91 A 91 A 92 1 n LYS . 92 A 92 A 93 1 n GLU . 93 A 93 A 94 1 n LEU . 94 A 94 A 95 1 n TYR . 95 A 95 A 96 1 n THR . 96 A 96 A 97 1 n ASN . 97 A 97 A 98 1 n ALA . 98 A 98 A 99 1 n TYR . 99 A 99 A 100 1 n PHE . 100 A 100 A 101 1 n GLU . 101 A 101 A 102 1 n ALA . 102 A 102 A 103 1 n ALA . 103 A 103 A 104 1 n ILE . 104 A 104 A 105 1 n GLN . 105 A 105 A 106 1 n ASN . 106 A 106 A 107 1 n LYS . 107 A 107 A 108 1 n GLY . 108 A 108 A 109 1 n PHE . 109 A 109 A 110 1 n ARG . 110 A 110 A 111 1 n ASP . 111 A 111 A 112 1 n ALA . 112 A 112 A 113 1 n LEU . 113 A 113 A 114 1 n LEU . 114 A 114 A 115 1 n ALA . 115 A 115 A 116 1 n SER . 116 A 116 A 117 1 n LYS . 117 A 117 A 118 1 n GLY . 118 A 118 A 119 1 n LYS . 119 A 119 A 120 1 n VAL . 120 A 120 A 121 1 n LEU . 121 A 121 A 122 1 n LYS . 122 A 122 A 123 1 n HIS . 123 A 123 A 124 1 n SER . 124 A 124 A 125 1 n MET . 125 A 125 A 126 1 n ALA . 126 A 126 A 127 1 n SER . 127 A 127 A 128 1 n GLY . 128 A 128 A 129 1 n LEU . 129 A 129 A 130 1 n THR . 130 A 130 A 131 1 n LYS . 131 A 131 A 132 1 n ASP . 132 A 132 A 133 1 n ASP . 133 A 133 A 134 1 n THR . 134 A 134 A 135 1 n ILE . 135 A 135 A 136 1 n LEU . 136 A 136 A 137 1 n THR . 137 A 137 A 138 1 n GLU . 138 A 138 A 139 1 n ALA . 139 A 139 A 140 1 n GLU . 140 A 140 A 141 1 n PHE . 141 A 141 A 142 1 n ILE . 142 A 142 A 143 1 n ASP . 143 A 143 A 144 1 n VAL . 144 A 144 A 145 1 n LEU . 145 A 145 A 146 1 n ASN . 146 A 146 A 147 1 n LEU . 147 A 147 A 148 1 n LEU . 148 A 148 A 149 1 n ARG . 149 A 149 A 150 1 n ASP . 150 A 150 A 151 1 n SER . 151 A 151 A 152 1 n LEU . 152 A 152 # _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 ? -1.740 6.478 25.794 1.00 83.44 1 A 1 ATOM 2 C CA . MET A 1 1 ? -2.347 5.790 24.636 1.00 90.96 1 A 1 ATOM 3 C C . MET A 1 1 ? -1.447 4.629 24.264 1.00 93.03 1 A 1 ATOM 4 O O . MET A 1 1 ? -0.236 4.796 24.339 1.00 89.79 1 A 1 ATOM 5 C CB . MET A 1 1 ? -2.516 6.743 23.447 1.00 83.92 1 A 1 ATOM 6 C CG . MET A 1 1 ? -3.587 7.806 23.708 1.00 75.44 1 A 1 ATOM 7 S SD . MET A 1 1 ? -3.782 8.973 22.337 1.00 71.39 1 A 1 ATOM 8 C CE . MET A 1 1 ? -3.593 10.550 23.210 1.00 62.39 1 A 1 ATOM 9 N N . SER A 1 2 ? -2.006 3.453 23.935 1.00 93.17 2 A 1 ATOM 10 C CA . SER A 1 2 ? -1.193 2.314 23.488 1.00 95.04 2 A 1 ATOM 11 C C . SER A 1 2 ? -0.713 2.541 22.048 1.00 95.96 2 A 1 ATOM 12 O O . SER A 1 2 ? -1.416 3.154 21.247 1.00 94.76 2 A 1 ATOM 13 C CB . SER A 1 2 ? -1.962 0.994 23.610 1.00 91.81 2 A 1 ATOM 14 O OG . SER A 1 2 ? -3.190 1.038 22.923 1.00 87.74 2 A 1 ATOM 15 N N . GLU A 1 3 ? 0.476 2.038 21.706 1.00 95.53 3 A 1 ATOM 16 C CA . GLU A 1 3 ? 1.029 2.105 20.353 1.00 95.86 3 A 1 ATOM 17 C C . GLU A 1 3 ? 0.742 0.806 19.588 1.00 96.17 3 A 1 ATOM 18 O O . GLU A 1 3 ? 0.661 -0.276 20.181 1.00 95.15 3 A 1 ATOM 19 C CB . GLU A 1 3 ? 2.530 2.420 20.399 1.00 94.03 3 A 1 ATOM 20 C CG . GLU A 1 3 ? 2.799 3.767 21.098 1.00 88.22 3 A 1 ATOM 21 C CD . GLU A 1 3 ? 4.267 4.202 21.054 1.00 89.08 3 A 1 ATOM 22 O OE1 . GLU A 1 3 ? 4.533 5.385 21.358 1.00 80.42 3 A 1 ATOM 23 O OE2 . GLU A 1 3 ? 5.148 3.432 20.608 1.00 82.94 3 A 1 ATOM 24 N N . LEU A 1 4 ? 0.586 0.907 18.253 1.00 96.29 4 A 1 ATOM 25 C CA . LEU A 1 4 ? 0.496 -0.217 17.333 1.00 96.56 4 A 1 ATOM 26 C C . LEU A 1 4 ? 1.566 -0.066 16.252 1.00 96.89 4 A 1 ATOM 27 O O . LEU A 1 4 ? 1.418 0.721 15.319 1.00 96.68 4 A 1 ATOM 28 C CB . LEU A 1 4 ? -0.927 -0.308 16.752 1.00 96.78 4 A 1 ATOM 29 C CG . LEU A 1 4 ? -1.121 -1.476 15.767 1.00 96.66 4 A 1 ATOM 30 C CD1 . LEU A 1 4 ? -0.984 -2.836 16.454 1.00 95.24 4 A 1 ATOM 31 C CD2 . LEU A 1 4 ? -2.514 -1.404 15.147 1.00 95.50 4 A 1 ATOM 32 N N . GLU A 1 5 ? 2.630 -0.857 16.366 1.00 97.23 5 A 1 ATOM 33 C CA . GLU A 1 5 ? 3.671 -0.985 15.348 1.00 97.20 5 A 1 ATOM 34 C C . GLU A 1 5 ? 3.149 -1.822 14.174 1.00 97.42 5 A 1 ATOM 35 O O . GLU A 1 5 ? 2.773 -2.985 14.356 1.00 96.85 5 A 1 ATOM 36 C CB . GLU A 1 5 ? 4.910 -1.615 15.996 1.00 96.36 5 A 1 ATOM 37 C CG . GLU A 1 5 ? 6.071 -1.857 15.017 1.00 94.10 5 A 1 ATOM 38 C CD . GLU A 1 5 ? 6.691 -0.573 14.448 1.00 93.61 5 A 1 ATOM 39 O OE1 . GLU A 1 5 ? 7.361 -0.681 13.396 1.00 86.94 5 A 1 ATOM 40 O OE2 . GLU A 1 5 ? 6.594 0.489 15.084 1.00 88.33 5 A 1 ATOM 41 N N . ILE A 1 6 ? 3.129 -1.261 12.961 1.00 96.96 6 A 1 ATOM 42 C CA . ILE A 1 6 ? 2.623 -1.926 11.753 1.00 96.94 6 A 1 ATOM 43 C C . ILE A 1 6 ? 3.754 -2.682 11.061 1.00 96.41 6 A 1 ATOM 44 O O . ILE A 1 6 ? 4.699 -2.095 10.541 1.00 95.64 6 A 1 ATOM 45 C CB . ILE A 1 6 ? 1.924 -0.930 10.812 1.00 97.16 6 A 1 ATOM 46 C CG1 . ILE A 1 6 ? 0.727 -0.271 11.536 1.00 96.19 6 A 1 ATOM 47 C CG2 . ILE A 1 6 ? 1.442 -1.662 9.539 1.00 96.65 6 A 1 ATOM 48 C CD1 . ILE A 1 6 ? 0.143 0.910 10.772 1.00 93.31 6 A 1 ATOM 49 N N . ARG A 1 7 ? 3.652 -4.018 11.039 1.00 96.62 7 A 1 ATOM 50 C CA . ARG A 1 7 ? 4.620 -4.907 10.381 1.00 96.47 7 A 1 ATOM 51 C C . ARG A 1 7 ? 3.926 -6.147 9.826 1.00 97.19 7 A 1 ATOM 52 O O . ARG A 1 7 ? 3.091 -6.746 10.494 1.00 96.22 7 A 1 ATOM 53 C CB . ARG A 1 7 ? 5.727 -5.315 11.359 1.00 94.90 7 A 1 ATOM 54 C CG . ARG A 1 7 ? 6.592 -4.130 11.807 1.00 88.21 7 A 1 ATOM 55 C CD . ARG A 1 7 ? 7.789 -4.571 12.648 1.00 84.21 7 A 1 ATOM 56 N NE . ARG A 1 7 ? 8.770 -5.348 11.866 1.00 78.66 7 A 1 ATOM 57 C CZ . ARG A 1 7 ? 9.955 -5.751 12.291 1.00 72.54 7 A 1 ATOM 58 N NH1 . ARG A 1 7 ? 10.369 -5.507 13.506 1.00 67.56 7 A 1 ATOM 59 N NH2 . ARG A 1 7 ? 10.750 -6.403 11.493 1.00 64.53 7 A 1 ATOM 60 N N . SER A 1 8 ? 4.326 -6.577 8.634 1.00 95.87 8 A 1 ATOM 61 C CA . SER A 1 8 ? 3.734 -7.738 7.945 1.00 95.40 8 A 1 ATOM 62 C C . SER A 1 8 ? 3.908 -9.064 8.693 1.00 95.65 8 A 1 ATOM 63 O O . SER A 1 8 ? 3.081 -9.961 8.554 1.00 94.79 8 A 1 ATOM 64 C CB . SER A 1 8 ? 4.339 -7.861 6.543 1.00 94.87 8 A 1 ATOM 65 O OG . SER A 1 8 ? 5.750 -7.959 6.609 1.00 92.26 8 A 1 ATOM 66 N N . ASN A 1 9 ? 4.957 -9.187 9.514 1.00 95.97 9 A 1 ATOM 67 C CA . ASN A 1 9 ? 5.256 -10.379 10.311 1.00 95.36 9 A 1 ATOM 68 C C . ASN A 1 9 ? 4.761 -10.304 11.770 1.00 96.02 9 A 1 ATOM 69 O O . ASN A 1 9 ? 5.105 -11.168 12.575 1.00 94.85 9 A 1 ATOM 70 C CB . ASN A 1 9 ? 6.766 -10.670 10.216 1.00 94.38 9 A 1 ATOM 71 C CG . ASN A 1 9 ? 7.642 -9.653 10.932 1.00 92.30 9 A 1 ATOM 72 O OD1 . ASN A 1 9 ? 7.313 -8.495 11.129 1.00 86.71 9 A 1 ATOM 73 N ND2 . ASN A 1 9 ? 8.829 -10.054 11.323 1.00 86.13 9 A 1 ATOM 74 N N . PHE A 1 10 ? 3.981 -9.280 12.134 1.00 95.62 10 A 1 ATOM 75 C CA . PHE A 1 10 ? 3.372 -9.158 13.462 1.00 96.02 10 A 1 ATOM 76 C C . PHE A 1 10 ? 1.963 -9.761 13.478 1.00 96.10 10 A 1 ATOM 77 O O . PHE A 1 10 ? 1.395 -10.118 12.448 1.00 94.33 10 A 1 ATOM 78 C CB . PHE A 1 10 ? 3.405 -7.689 13.927 1.00 95.58 10 A 1 ATOM 79 C CG . PHE A 1 10 ? 4.731 -7.176 14.474 1.00 95.11 10 A 1 ATOM 80 C CD1 . PHE A 1 10 ? 5.949 -7.854 14.266 1.00 91.92 10 A 1 ATOM 81 C CD2 . PHE A 1 10 ? 4.729 -5.994 15.241 1.00 91.50 10 A 1 ATOM 82 C CE1 . PHE A 1 10 ? 7.143 -7.360 14.822 1.00 89.87 10 A 1 ATOM 83 C CE2 . PHE A 1 10 ? 5.922 -5.500 15.794 1.00 90.53 10 A 1 ATOM 84 C CZ . PHE A 1 10 ? 7.129 -6.182 15.589 1.00 91.65 10 A 1 ATOM 85 N N . ARG A 1 11 ? 1.388 -9.911 14.681 1.00 96.62 11 A 1 ATOM 86 C CA . ARG A 1 11 ? 0.017 -10.406 14.834 1.00 96.71 11 A 1 ATOM 87 C C . ARG A 1 11 ? -0.993 -9.383 14.305 1.00 97.45 11 A 1 ATOM 88 O O . ARG A 1 11 ? -0.714 -8.187 14.248 1.00 96.69 11 A 1 ATOM 89 C CB . ARG A 1 11 ? -0.268 -10.779 16.303 1.00 95.77 11 A 1 ATOM 90 C CG . ARG A 1 11 ? 0.570 -11.983 16.763 1.00 89.86 11 A 1 ATOM 91 C CD . ARG A 1 11 ? 0.176 -12.403 18.185 1.00 83.20 11 A 1 ATOM 92 N NE . ARG A 1 11 ? 0.942 -13.580 18.643 1.00 73.95 11 A 1 ATOM 93 C CZ . ARG A 1 11 ? 0.754 -14.247 19.768 1.00 64.30 11 A 1 ATOM 94 N NH1 . ARG A 1 11 ? -0.166 -13.910 20.633 1.00 59.73 11 A 1 ATOM 95 N NH2 . ARG A 1 11 ? 1.498 -15.281 20.056 1.00 58.56 11 A 1 ATOM 96 N N . TRP A 1 12 ? -2.191 -9.871 13.952 1.00 97.17 12 A 1 ATOM 97 C CA . TRP A 1 12 ? -3.344 -9.020 13.650 1.00 97.46 12 A 1 ATOM 98 C C . TRP A 1 12 ? -3.648 -8.075 14.841 1.00 97.59 12 A 1 ATOM 99 O O . TRP A 1 12 ? -3.550 -8.514 15.990 1.00 97.00 12 A 1 ATOM 100 C CB . TRP A 1 12 ? -4.530 -9.929 13.310 1.00 96.86 12 A 1 ATOM 101 C CG . TRP A 1 12 ? -5.756 -9.210 12.857 1.00 96.39 12 A 1 ATOM 102 C CD1 . TRP A 1 12 ? -6.113 -8.980 11.565 1.00 95.00 12 A 1 ATOM 103 C CD2 . TRP A 1 12 ? -6.796 -8.593 13.670 1.00 96.62 12 A 1 ATOM 104 N NE1 . TRP A 1 12 ? -7.295 -8.267 11.526 1.00 94.35 12 A 1 ATOM 105 C CE2 . TRP A 1 12 ? -7.759 -8.000 12.797 1.00 95.59 12 A 1 ATOM 106 C CE3 . TRP A 1 12 ? -7.030 -8.471 15.056 1.00 94.43 12 A 1 ATOM 107 C CZ2 . TRP A 1 12 ? -8.890 -7.321 13.276 1.00 93.95 12 A 1 ATOM 108 C CZ3 . TRP A 1 12 ? -8.161 -7.788 15.545 1.00 93.71 12 A 1 ATOM 109 C CH2 . TRP A 1 12 ? -9.083 -7.219 14.657 1.00 92.82 12 A 1 ATOM 110 N N . PRO A 1 13 ? -4.003 -6.802 14.620 1.00 97.06 13 A 1 ATOM 111 C CA . PRO A 1 13 ? -4.301 -6.159 13.329 1.00 97.26 13 A 1 ATOM 112 C C . PRO A 1 13 ? -3.074 -5.599 12.581 1.00 97.71 13 A 1 ATOM 113 O O . PRO A 1 13 ? -3.205 -5.202 11.430 1.00 97.35 13 A 1 ATOM 114 C CB . PRO A 1 13 ? -5.292 -5.041 13.685 1.00 96.99 13 A 1 ATOM 115 C CG . PRO A 1 13 ? -4.818 -4.590 15.065 1.00 96.47 13 A 1 ATOM 116 C CD . PRO A 1 13 ? -4.376 -5.898 15.716 1.00 97.27 13 A 1 ATOM 117 N N . SER A 1 14 ? -1.875 -5.589 13.186 1.00 97.71 14 A 1 ATOM 118 C CA . SER A 1 14 ? -0.644 -5.009 12.613 1.00 97.80 14 A 1 ATOM 119 C C . SER A 1 14 ? -0.333 -5.528 11.199 1.00 97.90 14 A 1 ATOM 120 O O . SER A 1 14 ? -0.161 -4.743 10.271 1.00 97.55 14 A 1 ATOM 121 C CB . SER A 1 14 ? 0.528 -5.301 13.559 1.00 97.34 14 A 1 ATOM 122 O OG . SER A 1 14 ? 1.767 -5.077 12.935 1.00 92.80 14 A 1 ATOM 123 N N . CYS A 1 15 ? -0.295 -6.860 11.016 1.00 97.64 15 A 1 ATOM 124 C CA . CYS A 1 15 ? 0.012 -7.457 9.712 1.00 97.58 15 A 1 ATOM 125 C C . CYS A 1 15 ? -1.030 -7.129 8.632 1.00 97.77 15 A 1 ATOM 126 O O . CYS A 1 15 ? -0.675 -7.020 7.465 1.00 97.50 15 A 1 ATOM 127 C CB . CYS A 1 15 ? 0.182 -8.972 9.864 1.00 97.21 15 A 1 ATOM 128 S SG . CYS A 1 15 ? -1.330 -9.773 10.487 1.00 96.87 15 A 1 ATOM 129 N N . ALA A 1 16 ? -2.287 -6.949 9.016 1.00 97.33 16 A 1 ATOM 130 C CA . ALA A 1 16 ? -3.386 -6.631 8.110 1.00 97.24 16 A 1 ATOM 131 C C . ALA A 1 16 ? -3.407 -5.151 7.679 1.00 97.68 16 A 1 ATOM 132 O O . ALA A 1 16 ? -4.010 -4.826 6.663 1.00 97.40 16 A 1 ATOM 133 C CB . ALA A 1 16 ? -4.690 -7.045 8.796 1.00 96.99 16 A 1 ATOM 134 N N . LEU A 1 17 ? -2.734 -4.265 8.427 1.00 97.20 17 A 1 ATOM 135 C CA . LEU A 1 17 ? -2.540 -2.854 8.070 1.00 97.35 17 A 1 ATOM 136 C C . LEU A 1 17 ? -1.280 -2.623 7.219 1.00 97.44 17 A 1 ATOM 137 O O . LEU A 1 17 ? -1.109 -1.553 6.656 1.00 97.30 17 A 1 ATOM 138 C CB . LEU A 1 17 ? -2.500 -2.005 9.355 1.00 97.51 17 A 1 ATOM 139 C CG . LEU A 1 17 ? -3.802 -2.015 10.177 1.00 97.10 17 A 1 ATOM 140 C CD1 . LEU A 1 17 ? -3.610 -1.194 11.452 1.00 96.22 17 A 1 ATOM 141 C CD2 . LEU A 1 17 ? -4.985 -1.437 9.403 1.00 96.43 17 A 1 ATOM 142 N N . SER A 1 18 ? -0.390 -3.617 7.110 1.00 97.72 18 A 1 ATOM 143 C CA . SER A 1 18 ? 0.815 -3.524 6.280 1.00 97.58 18 A 1 ATOM 144 C C . SER A 1 18 ? 0.459 -3.501 4.790 1.00 97.64 18 A 1 ATOM 145 O O . SER A 1 18 ? -0.404 -4.256 4.349 1.00 97.21 18 A 1 ATOM 146 C CB . SER A 1 18 ? 1.729 -4.711 6.574 1.00 96.96 18 A 1 ATOM 147 O OG . SER A 1 18 ? 2.919 -4.638 5.811 1.00 93.00 18 A 1 ATOM 148 N N . ASN A 1 19 ? 1.213 -2.742 3.983 1.00 97.53 19 A 1 ATOM 149 C CA . ASN A 1 19 ? 1.117 -2.784 2.515 1.00 97.49 19 A 1 ATOM 150 C C . ASN A 1 19 ? 1.399 -4.170 1.919 1.00 97.56 19 A 1 ATOM 151 O O . ASN A 1 19 ? 1.005 -4.452 0.786 1.00 96.75 19 A 1 ATOM 152 C CB . ASN A 1 19 ? 2.083 -1.747 1.925 1.00 96.89 19 A 1 ATOM 153 C CG . ASN A 1 19 ? 1.631 -0.334 2.207 1.00 95.76 19 A 1 ATOM 154 O OD1 . ASN A 1 19 ? 0.464 -0.080 2.442 1.00 90.27 19 A 1 ATOM 155 N ND2 . ASN A 1 19 ? 2.528 0.620 2.194 1.00 89.78 19 A 1 ATOM 156 N N . PHE A 1 20 ? 2.058 -5.059 2.682 1.00 97.49 20 A 1 ATOM 157 C CA . PHE A 1 20 ? 2.300 -6.446 2.283 1.00 97.42 20 A 1 ATOM 158 C C . PHE A 1 20 ? 1.063 -7.341 2.424 1.00 97.47 20 A 1 ATOM 159 O O . PHE A 1 20 ? 1.069 -8.453 1.892 1.00 95.94 20 A 1 ATOM 160 C CB . PHE A 1 20 ? 3.469 -7.020 3.090 1.00 96.69 20 A 1 ATOM 161 C CG . PHE A 1 20 ? 4.854 -6.666 2.576 1.00 96.12 20 A 1 ATOM 162 C CD1 . PHE A 1 20 ? 5.142 -5.418 2.002 1.00 93.18 20 A 1 ATOM 163 C CD2 . PHE A 1 20 ? 5.873 -7.634 2.672 1.00 92.48 20 A 1 ATOM 164 C CE1 . PHE A 1 20 ? 6.429 -5.129 1.524 1.00 90.60 20 A 1 ATOM 165 C CE2 . PHE A 1 20 ? 7.163 -7.349 2.200 1.00 90.99 20 A 1 ATOM 166 C CZ . PHE A 1 20 ? 7.440 -6.098 1.627 1.00 92.18 20 A 1 ATOM 167 N N . ALA A 1 21 ? 0.024 -6.888 3.125 1.00 97.25 21 A 1 ATOM 168 C CA . ALA A 1 21 ? -1.221 -7.631 3.238 1.00 96.95 21 A 1 ATOM 169 C C . ALA A 1 21 ? -1.879 -7.782 1.857 1.00 96.89 21 A 1 ATOM 170 O O . ALA A 1 21 ? -1.889 -6.863 1.036 1.00 96.19 21 A 1 ATOM 171 C CB . ALA A 1 21 ? -2.146 -6.943 4.244 1.00 96.89 21 A 1 ATOM 172 N N . GLN A 1 22 ? -2.436 -8.962 1.601 1.00 96.98 22 A 1 ATOM 173 C CA . GLN A 1 22 ? -3.089 -9.270 0.335 1.00 96.59 22 A 1 ATOM 174 C C . GLN A 1 22 ? -4.541 -8.785 0.373 1.00 96.88 22 A 1 ATOM 175 O O . GLN A 1 22 ? -5.460 -9.552 0.664 1.00 95.90 22 A 1 ATOM 176 C CB . GLN A 1 22 ? -2.935 -10.765 0.032 1.00 95.02 22 A 1 ATOM 177 C CG . GLN A 1 22 ? -3.415 -11.097 -1.393 1.00 85.24 22 A 1 ATOM 178 C CD . GLN A 1 22 ? -3.205 -12.559 -1.765 1.00 80.78 22 A 1 ATOM 179 O OE1 . GLN A 1 22 ? -2.682 -13.371 -1.017 1.00 74.72 22 A 1 ATOM 180 N NE2 . GLN A 1 22 ? -3.601 -12.956 -2.953 1.00 70.24 22 A 1 ATOM 181 N N . TRP A 1 23 ? -4.732 -7.491 0.077 1.00 96.80 23 A 1 ATOM 182 C CA . TRP A 1 23 ? -6.036 -6.846 -0.059 1.00 96.65 23 A 1 ATOM 183 C C . TRP A 1 23 ? -6.253 -6.432 -1.519 1.00 97.16 23 A 1 ATOM 184 O O . TRP A 1 23 ? -5.926 -5.300 -1.875 1.00 96.39 23 A 1 ATOM 185 C CB . TRP A 1 23 ? -6.130 -5.659 0.905 1.00 96.05 23 A 1 ATOM 186 C CG . TRP A 1 23 ? -5.952 -5.989 2.361 1.00 95.95 23 A 1 ATOM 187 C CD1 . TRP A 1 23 ? -5.117 -5.347 3.205 1.00 93.71 23 A 1 ATOM 188 C CD2 . TRP A 1 23 ? -6.603 -7.027 3.159 1.00 95.82 23 A 1 ATOM 189 N NE1 . TRP A 1 23 ? -5.202 -5.902 4.461 1.00 92.94 23 A 1 ATOM 190 C CE2 . TRP A 1 23 ? -6.099 -6.947 4.491 1.00 94.49 23 A 1 ATOM 191 C CE3 . TRP A 1 23 ? -7.563 -8.030 2.892 1.00 93.19 23 A 1 ATOM 192 C CZ2 . TRP A 1 23 ? -6.515 -7.826 5.502 1.00 92.68 23 A 1 ATOM 193 C CZ3 . TRP A 1 23 ? -7.988 -8.917 3.899 1.00 92.15 23 A 1 ATOM 194 C CH2 . TRP A 1 23 ? -7.464 -8.815 5.199 1.00 91.33 23 A 1 ATOM 195 N N . PRO A 1 24 ? -6.725 -7.357 -2.395 1.00 98.28 24 A 1 ATOM 196 C CA . PRO A 1 24 ? -6.958 -7.038 -3.797 1.00 98.37 24 A 1 ATOM 197 C C . PRO A 1 24 ? -8.077 -6.001 -3.937 1.00 98.47 24 A 1 ATOM 198 O O . PRO A 1 24 ? -9.042 -6.022 -3.176 1.00 98.25 24 A 1 ATOM 199 C CB . PRO A 1 24 ? -7.322 -8.361 -4.469 1.00 98.06 24 A 1 ATOM 200 C CG . PRO A 1 24 ? -7.964 -9.162 -3.335 1.00 96.46 24 A 1 ATOM 201 C CD . PRO A 1 24 ? -7.155 -8.723 -2.117 1.00 98.18 24 A 1 ATOM 202 N N . PHE A 1 25 ? -7.950 -5.112 -4.919 1.00 98.36 25 A 1 ATOM 203 C CA . PHE A 1 25 ? -8.957 -4.087 -5.201 1.00 98.38 25 A 1 ATOM 204 C C . PHE A 1 25 ? -8.938 -3.681 -6.673 1.00 98.50 25 A 1 ATOM 205 O O . PHE A 1 25 ? -7.980 -3.962 -7.397 1.00 98.44 25 A 1 ATOM 206 C CB . PHE A 1 25 ? -8.753 -2.871 -4.274 1.00 98.42 25 A 1 ATOM 207 C CG . PHE A 1 25 ? -7.460 -2.103 -4.479 1.00 98.61 25 A 1 ATOM 208 C CD1 . PHE A 1 25 ? -6.267 -2.547 -3.877 1.00 98.26 25 A 1 ATOM 209 C CD2 . PHE A 1 25 ? -7.448 -0.931 -5.259 1.00 98.29 25 A 1 ATOM 210 C CE1 . PHE A 1 25 ? -5.072 -1.830 -4.052 1.00 98.11 25 A 1 ATOM 211 C CE2 . PHE A 1 25 ? -6.254 -0.211 -5.432 1.00 98.07 25 A 1 ATOM 212 C CZ . PHE A 1 25 ? -5.062 -0.660 -4.830 1.00 98.49 25 A 1 ATOM 213 N N . VAL A 1 26 ? -9.997 -3.025 -7.110 1.00 98.65 26 A 1 ATOM 214 C CA . VAL A 1 26 ? -10.119 -2.404 -8.433 1.00 98.64 26 A 1 ATOM 215 C C . VAL A 1 26 ? -10.195 -0.892 -8.249 1.00 98.63 26 A 1 ATOM 216 O O . VAL A 1 26 ? -10.964 -0.415 -7.421 1.00 98.37 26 A 1 ATOM 217 C CB . VAL A 1 26 ? -11.347 -2.937 -9.196 1.00 98.44 26 A 1 ATOM 218 C CG1 . VAL A 1 26 ? -11.478 -2.300 -10.585 1.00 97.13 26 A 1 ATOM 219 C CG2 . VAL A 1 26 ? -11.254 -4.454 -9.401 1.00 97.20 26 A 1 ATOM 220 N N . MET A 1 27 ? -9.410 -0.145 -9.027 1.00 98.26 27 A 1 ATOM 221 C CA . MET A 1 27 ? -9.459 1.318 -9.108 1.00 98.14 27 A 1 ATOM 222 C C . MET A 1 27 ? -9.282 1.720 -10.571 1.00 97.92 27 A 1 ATOM 223 O O . MET A 1 27 ? -8.419 1.170 -11.251 1.00 97.18 27 A 1 ATOM 224 C CB . MET A 1 27 ? -8.362 1.914 -8.209 1.00 97.92 27 A 1 ATOM 225 C CG . MET A 1 27 ? -8.370 3.443 -8.158 1.00 97.31 27 A 1 ATOM 226 S SD . MET A 1 27 ? -7.037 4.130 -7.132 1.00 96.81 27 A 1 ATOM 227 C CE . MET A 1 27 ? -5.616 3.842 -8.218 1.00 92.95 27 A 1 ATOM 228 N N . ASP A 1 28 ? -10.119 2.617 -11.082 1.00 97.53 28 A 1 ATOM 229 C CA . ASP A 1 28 ? -10.115 3.065 -12.487 1.00 96.93 28 A 1 ATOM 230 C C . ASP A 1 28 ? -10.160 1.907 -13.511 1.00 97.10 28 A 1 ATOM 231 O O . ASP A 1 28 ? -9.515 1.924 -14.564 1.00 95.93 28 A 1 ATOM 232 C CB . ASP A 1 28 ? -8.956 4.050 -12.728 1.00 96.21 28 A 1 ATOM 233 C CG . ASP A 1 28 ? -9.004 5.267 -11.803 1.00 94.90 28 A 1 ATOM 234 O OD1 . ASP A 1 28 ? -10.129 5.676 -11.438 1.00 92.61 28 A 1 ATOM 235 O OD2 . ASP A 1 28 ? -7.908 5.777 -11.481 1.00 92.15 28 A 1 ATOM 236 N N . GLY A 1 29 ? -10.888 0.832 -13.188 1.00 97.03 29 A 1 ATOM 237 C CA . GLY A 1 29 ? -10.985 -0.377 -14.017 1.00 96.96 29 A 1 ATOM 238 C C . GLY A 1 29 ? -9.711 -1.242 -14.051 1.00 97.24 29 A 1 ATOM 239 O O . GLY A 1 29 ? -9.617 -2.175 -14.853 1.00 96.27 29 A 1 ATOM 240 N N . ILE A 1 30 ? -8.715 -0.958 -13.196 1.00 97.51 30 A 1 ATOM 241 C CA . ILE A 1 30 ? -7.458 -1.705 -13.075 1.00 97.74 30 A 1 ATOM 242 C C . ILE A 1 30 ? -7.524 -2.603 -11.842 1.00 98.18 30 A 1 ATOM 243 O O . ILE A 1 30 ? -7.857 -2.154 -10.750 1.00 98.08 30 A 1 ATOM 244 C CB . ILE A 1 30 ? -6.249 -0.749 -13.013 1.00 97.36 30 A 1 ATOM 245 C CG1 . ILE A 1 30 ? -6.204 0.176 -14.253 1.00 95.91 30 A 1 ATOM 246 C CG2 . ILE A 1 30 ? -4.931 -1.543 -12.897 1.00 96.20 30 A 1 ATOM 247 C CD1 . ILE A 1 30 ? -5.283 1.377 -14.055 1.00 91.24 30 A 1 ATOM 248 N N . GLN A 1 31 ? -7.153 -3.881 -12.015 1.00 98.13 31 A 1 ATOM 249 C CA . GLN A 1 31 ? -7.043 -4.847 -10.922 1.00 98.09 31 A 1 ATOM 250 C C . GLN A 1 31 ? -5.684 -4.724 -10.223 1.00 98.36 31 A 1 ATOM 251 O O . GLN A 1 31 ? -4.636 -4.796 -10.869 1.00 98.14 31 A 1 ATOM 252 C CB . GLN A 1 31 ? -7.249 -6.262 -11.486 1.00 97.30 31 A 1 ATOM 253 C CG . GLN A 1 31 ? -7.279 -7.356 -10.407 1.00 85.47 31 A 1 ATOM 254 C CD . GLN A 1 31 ? -8.514 -7.267 -9.515 1.00 80.16 31 A 1 ATOM 255 O OE1 . GLN A 1 31 ? -9.637 -7.252 -9.988 1.00 72.01 31 A 1 ATOM 256 N NE2 . GLN A 1 31 ? -8.362 -7.201 -8.210 1.00 68.24 31 A 1 ATOM 257 N N . PHE A 1 32 ? -5.692 -4.637 -8.896 1.00 98.33 32 A 1 ATOM 258 C CA . PHE A 1 32 ? -4.520 -4.648 -8.023 1.00 98.55 32 A 1 ATOM 259 C C . PHE A 1 32 ? -4.542 -5.885 -7.123 1.00 98.62 32 A 1 ATOM 260 O O . PHE A 1 32 ? -5.576 -6.225 -6.556 1.00 98.38 32 A 1 ATOM 261 C CB . PHE A 1 32 ? -4.474 -3.356 -7.198 1.00 98.50 32 A 1 ATOM 262 C CG . PHE A 1 32 ? -4.384 -2.104 -8.049 1.00 98.59 32 A 1 ATOM 263 C CD1 . PHE A 1 32 ? -3.126 -1.609 -8.436 1.00 98.11 32 A 1 ATOM 264 C CD2 . PHE A 1 32 ? -5.556 -1.468 -8.503 1.00 98.21 32 A 1 ATOM 265 C CE1 . PHE A 1 32 ? -3.041 -0.490 -9.281 1.00 97.84 32 A 1 ATOM 266 C CE2 . PHE A 1 32 ? -5.468 -0.352 -9.353 1.00 97.83 32 A 1 ATOM 267 C CZ . PHE A 1 32 ? -4.211 0.134 -9.745 1.00 97.94 32 A 1 ATOM 268 N N . GLY A 1 33 ? -3.384 -6.558 -6.958 1.00 98.44 33 A 1 ATOM 269 C CA . GLY A 1 33 ? -3.220 -7.661 -5.995 1.00 98.40 33 A 1 ATOM 270 C C . GLY A 1 33 ? -3.110 -7.185 -4.542 1.00 98.48 33 A 1 ATOM 271 O O . GLY A 1 33 ? -3.278 -7.972 -3.611 1.00 97.90 33 A 1 ATOM 272 N N . GLY A 1 34 ? -2.833 -5.898 -4.339 1.00 98.33 34 A 1 ATOM 273 C CA . GLY A 1 34 ? -2.747 -5.232 -3.046 1.00 98.30 34 A 1 ATOM 274 C C . GLY A 1 34 ? -1.990 -3.908 -3.138 1.00 98.49 34 A 1 ATOM 275 O O . GLY A 1 34 ? -1.462 -3.550 -4.195 1.00 98.05 34 A 1 ATOM 276 N N . LEU A 1 35 ? -1.901 -3.186 -2.007 1.00 98.41 35 A 1 ATOM 277 C CA . LEU A 1 35 ? -1.287 -1.852 -1.946 1.00 98.34 35 A 1 ATOM 278 C C . LEU A 1 35 ? 0.207 -1.865 -2.309 1.00 98.09 35 A 1 ATOM 279 O O . LEU A 1 35 ? 0.675 -0.949 -2.975 1.00 97.76 35 A 1 ATOM 280 C CB . LEU A 1 35 ? -1.518 -1.261 -0.546 1.00 98.37 35 A 1 ATOM 281 C CG . LEU A 1 35 ? -2.985 -0.867 -0.288 1.00 98.17 35 A 1 ATOM 282 C CD1 . LEU A 1 35 ? -3.216 -0.632 1.200 1.00 97.42 35 A 1 ATOM 283 C CD2 . LEU A 1 35 ? -3.376 0.402 -1.052 1.00 97.50 35 A 1 ATOM 284 N N . GLU A 1 36 ? 0.962 -2.917 -1.960 1.00 98.20 36 A 1 ATOM 285 C CA . GLU A 1 36 ? 2.369 -3.026 -2.372 1.00 97.95 36 A 1 ATOM 286 C C . GLU A 1 36 ? 2.504 -3.123 -3.898 1.00 97.80 36 A 1 ATOM 287 O O . GLU A 1 36 ? 3.361 -2.468 -4.477 1.00 97.27 36 A 1 ATOM 288 C CB . GLU A 1 36 ? 3.023 -4.224 -1.674 1.00 97.54 36 A 1 ATOM 289 C CG . GLU A 1 36 ? 4.550 -4.294 -1.885 1.00 95.31 36 A 1 ATOM 290 C CD . GLU A 1 36 ? 5.338 -3.115 -1.286 1.00 95.62 36 A 1 ATOM 291 O OE1 . GLU A 1 36 ? 6.493 -2.908 -1.731 1.00 91.80 36 A 1 ATOM 292 O OE2 . GLU A 1 36 ? 4.815 -2.435 -0.381 1.00 92.31 36 A 1 ATOM 293 N N . GLY A 1 37 ? 1.626 -3.888 -4.568 1.00 98.26 37 A 1 ATOM 294 C CA . GLY A 1 37 ? 1.571 -3.974 -6.030 1.00 98.27 37 A 1 ATOM 295 C C . GLY A 1 37 ? 1.314 -2.617 -6.683 1.00 98.22 37 A 1 ATOM 296 O O . GLY A 1 37 ? 2.040 -2.231 -7.603 1.00 98.00 37 A 1 ATOM 297 N N . PHE A 1 38 ? 0.358 -1.857 -6.148 1.00 98.20 38 A 1 ATOM 298 C CA . PHE A 1 38 ? 0.078 -0.483 -6.572 1.00 98.10 38 A 1 ATOM 299 C C . PHE A 1 38 ? 1.319 0.415 -6.429 1.00 97.67 38 A 1 ATOM 300 O O . PHE A 1 38 ? 1.770 1.005 -7.411 1.00 97.22 38 A 1 ATOM 301 C CB . PHE A 1 38 ? -1.127 0.052 -5.777 1.00 98.22 38 A 1 ATOM 302 C CG . PHE A 1 38 ? -1.264 1.558 -5.819 1.00 98.28 38 A 1 ATOM 303 C CD1 . PHE A 1 38 ? -0.773 2.337 -4.752 1.00 97.75 38 A 1 ATOM 304 C CD2 . PHE A 1 38 ? -1.811 2.187 -6.951 1.00 97.89 38 A 1 ATOM 305 C CE1 . PHE A 1 38 ? -0.823 3.738 -4.824 1.00 97.59 38 A 1 ATOM 306 C CE2 . PHE A 1 38 ? -1.860 3.587 -7.020 1.00 97.47 38 A 1 ATOM 307 C CZ . PHE A 1 38 ? -1.361 4.363 -5.958 1.00 97.73 38 A 1 ATOM 308 N N . LEU A 1 39 ? 1.931 0.457 -5.240 1.00 97.58 39 A 1 ATOM 309 C CA . LEU A 1 39 ? 3.094 1.303 -4.957 1.00 96.84 39 A 1 ATOM 310 C C . LEU A 1 39 ? 4.284 0.964 -5.868 1.00 96.07 39 A 1 ATOM 311 O O . LEU A 1 39 ? 4.915 1.855 -6.429 1.00 95.44 39 A 1 ATOM 312 C CB . LEU A 1 39 ? 3.493 1.144 -3.476 1.00 96.83 39 A 1 ATOM 313 C CG . LEU A 1 39 ? 2.502 1.731 -2.452 1.00 96.61 39 A 1 ATOM 314 C CD1 . LEU A 1 39 ? 2.954 1.346 -1.042 1.00 95.98 39 A 1 ATOM 315 C CD2 . LEU A 1 39 ? 2.410 3.253 -2.530 1.00 96.02 39 A 1 ATOM 316 N N . GLN A 1 40 ? 4.601 -0.321 -6.031 1.00 96.58 40 A 1 ATOM 317 C CA . GLN A 1 40 ? 5.738 -0.749 -6.853 1.00 95.94 40 A 1 ATOM 318 C C . GLN A 1 40 ? 5.479 -0.548 -8.351 1.00 95.69 40 A 1 ATOM 319 O O . GLN A 1 40 ? 6.396 -0.156 -9.071 1.00 95.18 40 A 1 ATOM 320 C CB . GLN A 1 40 ? 6.089 -2.208 -6.550 1.00 95.55 40 A 1 ATOM 321 C CG . GLN A 1 40 ? 6.528 -2.453 -5.098 1.00 94.60 40 A 1 ATOM 322 C CD . GLN A 1 40 ? 7.732 -1.652 -4.631 1.00 94.01 40 A 1 ATOM 323 O OE1 . GLN A 1 40 ? 8.655 -1.322 -5.363 1.00 90.30 40 A 1 ATOM 324 N NE2 . GLN A 1 40 ? 7.783 -1.314 -3.361 1.00 89.18 40 A 1 ATOM 325 N N . GLY A 1 41 ? 4.250 -0.764 -8.810 1.00 96.87 41 A 1 ATOM 326 C CA . GLY A 1 41 ? 3.865 -0.541 -10.204 1.00 96.62 41 A 1 ATOM 327 C C . GLY A 1 41 ? 3.987 0.927 -10.629 1.00 96.30 41 A 1 ATOM 328 O O . GLY A 1 41 ? 4.464 1.199 -11.726 1.00 95.93 41 A 1 ATOM 329 N N . CYS A 1 42 ? 3.689 1.887 -9.729 1.00 96.10 42 A 1 ATOM 330 C CA . CYS A 1 42 ? 3.832 3.324 -10.017 1.00 95.88 42 A 1 ATOM 331 C C . CYS A 1 42 ? 5.280 3.765 -10.336 1.00 95.17 42 A 1 ATOM 332 O O . CYS A 1 42 ? 5.486 4.853 -10.865 1.00 94.44 42 A 1 ATOM 333 C CB . CYS A 1 42 ? 3.260 4.130 -8.844 1.00 96.38 42 A 1 ATOM 334 S SG . CYS A 1 42 ? 1.452 3.987 -8.820 1.00 96.33 42 A 1 ATOM 335 N N . LYS A 1 43 ? 6.299 2.924 -10.088 1.00 94.41 43 A 1 ATOM 336 C CA . LYS A 1 43 ? 7.697 3.185 -10.492 1.00 93.82 43 A 1 ATOM 337 C C . LYS A 1 43 ? 7.971 2.862 -11.969 1.00 93.54 43 A 1 ATOM 338 O O . LYS A 1 43 ? 9.048 3.162 -12.473 1.00 92.86 43 A 1 ATOM 339 C CB . LYS A 1 43 ? 8.649 2.379 -9.600 1.00 93.51 43 A 1 ATOM 340 C CG . LYS A 1 43 ? 8.478 2.692 -8.111 1.00 92.98 43 A 1 ATOM 341 C CD . LYS A 1 43 ? 9.359 1.760 -7.278 1.00 91.53 43 A 1 ATOM 342 C CE . LYS A 1 43 ? 9.105 2.016 -5.792 1.00 89.31 43 A 1 ATOM 343 N NZ . LYS A 1 43 ? 9.791 1.004 -4.961 1.00 86.12 43 A 1 ATOM 344 N N . VAL A 1 44 ? 7.040 2.203 -12.664 1.00 93.82 44 A 1 ATOM 345 C CA . VAL A 1 44 ? 7.277 1.546 -13.952 1.00 93.97 44 A 1 ATOM 346 C C . VAL A 1 44 ? 6.644 2.335 -15.089 1.00 94.05 44 A 1 ATOM 347 O O . VAL A 1 44 ? 5.431 2.486 -15.151 1.00 93.54 44 A 1 ATOM 348 C CB . VAL A 1 44 ? 6.742 0.104 -13.930 1.00 93.67 44 A 1 ATOM 349 C CG1 . VAL A 1 44 ? 7.107 -0.637 -15.223 1.00 92.38 44 A 1 ATOM 350 C CG2 . VAL A 1 44 ? 7.324 -0.674 -12.748 1.00 92.42 44 A 1 ATOM 351 N N . LYS A 1 45 ? 7.479 2.793 -16.039 1.00 93.05 45 A 1 ATOM 352 C CA . LYS A 1 45 ? 7.012 3.533 -17.226 1.00 93.10 45 A 1 ATOM 353 C C . LYS A 1 45 ? 6.242 2.661 -18.225 1.00 93.85 45 A 1 ATOM 354 O O . LYS A 1 45 ? 5.274 3.118 -18.825 1.00 93.46 45 A 1 ATOM 355 C CB . LYS A 1 45 ? 8.218 4.199 -17.907 1.00 91.85 45 A 1 ATOM 356 C CG . LYS A 1 45 ? 7.801 5.089 -19.089 1.00 89.67 45 A 1 ATOM 357 C CD . LYS A 1 45 ? 9.005 5.825 -19.684 1.00 86.69 45 A 1 ATOM 358 C CE . LYS A 1 45 ? 8.527 6.713 -20.842 1.00 81.33 45 A 1 ATOM 359 N NZ . LYS A 1 45 ? 9.642 7.486 -21.444 1.00 74.71 45 A 1 ATOM 360 N N . ASN A 1 46 ? 6.707 1.418 -18.448 1.00 94.19 46 A 1 ATOM 361 C CA . ASN A 1 46 ? 6.068 0.517 -19.408 1.00 94.97 46 A 1 ATOM 362 C C . ASN A 1 46 ? 4.712 0.037 -18.863 1.00 95.70 46 A 1 ATOM 363 O O . ASN A 1 46 ? 4.672 -0.631 -17.831 1.00 95.96 46 A 1 ATOM 364 C CB . ASN A 1 46 ? 7.023 -0.646 -19.731 1.00 94.81 46 A 1 ATOM 365 C CG . ASN A 1 46 ? 6.393 -1.622 -20.707 1.00 94.20 46 A 1 ATOM 366 O OD1 . ASN A 1 46 ? 5.494 -2.361 -20.362 1.00 90.27 46 A 1 ATOM 367 N ND2 . ASN A 1 46 ? 6.803 -1.631 -21.952 1.00 88.96 46 A 1 ATOM 368 N N . VAL A 1 47 ? 3.627 0.342 -19.574 1.00 95.60 47 A 1 ATOM 369 C CA . VAL A 1 47 ? 2.243 0.092 -19.133 1.00 96.46 47 A 1 ATOM 370 C C . VAL A 1 47 ? 1.952 -1.393 -18.916 1.00 97.05 47 A 1 ATOM 371 O O . VAL A 1 47 ? 1.280 -1.754 -17.949 1.00 96.90 47 A 1 ATOM 372 C CB . VAL A 1 47 ? 1.241 0.683 -20.149 1.00 96.08 47 A 1 ATOM 373 C CG1 . VAL A 1 47 ? -0.217 0.412 -19.765 1.00 94.01 47 A 1 ATOM 374 C CG2 . VAL A 1 47 ? 1.418 2.199 -20.277 1.00 93.84 47 A 1 ATOM 375 N N . GLU A 1 48 ? 2.469 -2.277 -19.776 1.00 96.27 48 A 1 ATOM 376 C CA . GLU A 1 48 ? 2.255 -3.724 -19.642 1.00 96.55 48 A 1 ATOM 377 C C . GLU A 1 48 ? 2.944 -4.268 -18.383 1.00 96.82 48 A 1 ATOM 378 O O . GLU A 1 48 ? 2.321 -4.957 -17.569 1.00 96.65 48 A 1 ATOM 379 C CB . GLU A 1 48 ? 2.779 -4.418 -20.906 1.00 96.38 48 A 1 ATOM 380 C CG . GLU A 1 48 ? 2.416 -5.909 -20.943 1.00 86.40 48 A 1 ATOM 381 C CD . GLU A 1 48 ? 3.096 -6.654 -22.102 1.00 78.50 48 A 1 ATOM 382 O OE1 . GLU A 1 48 ? 3.032 -7.902 -22.073 1.00 70.65 48 A 1 ATOM 383 O OE2 . GLU A 1 48 ? 3.716 -5.983 -22.960 1.00 71.13 48 A 1 ATOM 384 N N . GLN A 1 49 ? 4.219 -3.889 -18.162 1.00 96.36 49 A 1 ATOM 385 C CA . GLN A 1 49 ? 4.954 -4.266 -16.954 1.00 96.34 49 A 1 ATOM 386 C C . GLN A 1 49 ? 4.348 -3.633 -15.694 1.00 97.05 49 A 1 ATOM 387 O O . GLN A 1 49 ? 4.272 -4.291 -14.655 1.00 96.99 49 A 1 ATOM 388 C CB . GLN A 1 49 ? 6.433 -3.877 -17.092 1.00 95.07 49 A 1 ATOM 389 C CG . GLN A 1 49 ? 7.150 -4.642 -18.215 1.00 80.74 49 A 1 ATOM 390 C CD . GLN A 1 49 ? 7.106 -6.159 -18.040 1.00 73.90 49 A 1 ATOM 391 O OE1 . GLN A 1 49 ? 7.177 -6.696 -16.946 1.00 66.36 49 A 1 ATOM 392 N NE2 . GLN A 1 49 ? 6.979 -6.908 -19.112 1.00 62.86 49 A 1 ATOM 393 N N . GLN A 1 50 ? 3.877 -2.384 -15.778 1.00 96.64 50 A 1 ATOM 394 C CA . GLN A 1 50 ? 3.175 -1.714 -14.686 1.00 97.15 50 A 1 ATOM 395 C C . GLN A 1 50 ? 1.922 -2.500 -14.279 1.00 97.61 50 A 1 ATOM 396 O O . GLN A 1 50 ? 1.779 -2.842 -13.104 1.00 97.62 50 A 1 ATOM 397 C CB . GLN A 1 50 ? 2.865 -0.269 -15.104 1.00 96.64 50 A 1 ATOM 398 C CG . GLN A 1 50 ? 2.016 0.466 -14.066 1.00 94.74 50 A 1 ATOM 399 C CD . GLN A 1 50 ? 1.935 1.954 -14.326 1.00 94.97 50 A 1 ATOM 400 O OE1 . GLN A 1 50 ? 1.173 2.434 -15.149 1.00 90.01 50 A 1 ATOM 401 N NE2 . GLN A 1 50 ? 2.708 2.745 -13.616 1.00 89.26 50 A 1 ATOM 402 N N . ARG A 1 51 ? 1.058 -2.866 -15.238 1.00 97.33 51 A 1 ATOM 403 C CA . ARG A 1 51 ? -0.149 -3.674 -14.984 1.00 97.56 51 A 1 ATOM 404 C C . ARG A 1 51 ? 0.183 -5.049 -14.409 1.00 97.87 51 A 1 ATOM 405 O O . ARG A 1 51 ? -0.497 -5.504 -13.496 1.00 97.73 51 A 1 ATOM 406 C CB . ARG A 1 51 ? -0.967 -3.832 -16.274 1.00 97.34 51 A 1 ATOM 407 C CG . ARG A 1 51 ? -1.704 -2.542 -16.652 1.00 94.97 51 A 1 ATOM 408 C CD . ARG A 1 51 ? -2.504 -2.745 -17.942 1.00 92.90 51 A 1 ATOM 409 N NE . ARG A 1 51 ? -3.254 -1.539 -18.340 1.00 88.38 51 A 1 ATOM 410 C CZ . ARG A 1 51 ? -4.428 -1.138 -17.878 1.00 83.80 51 A 1 ATOM 411 N NH1 . ARG A 1 51 ? -5.070 -1.789 -16.951 1.00 78.09 51 A 1 ATOM 412 N NH2 . ARG A 1 51 ? -4.983 -0.056 -18.345 1.00 77.16 51 A 1 ATOM 413 N N . ARG A 1 52 ? 1.262 -5.694 -14.882 1.00 97.74 52 A 1 ATOM 414 C CA . ARG A 1 52 ? 1.740 -6.960 -14.315 1.00 97.83 52 A 1 ATOM 415 C C . ARG A 1 52 ? 2.102 -6.805 -12.835 1.00 98.26 52 A 1 ATOM 416 O O . ARG A 1 52 ? 1.704 -7.641 -12.032 1.00 98.11 52 A 1 ATOM 417 C CB . ARG A 1 52 ? 2.910 -7.483 -15.151 1.00 97.19 52 A 1 ATOM 418 C CG . ARG A 1 52 ? 3.416 -8.832 -14.626 1.00 83.18 52 A 1 ATOM 419 C CD . ARG A 1 52 ? 4.576 -9.332 -15.481 1.00 80.08 52 A 1 ATOM 420 N NE . ARG A 1 52 ? 5.135 -10.580 -14.924 1.00 70.30 52 A 1 ATOM 421 C CZ . ARG A 1 52 ? 5.567 -11.626 -15.600 1.00 62.41 52 A 1 ATOM 422 N NH1 . ARG A 1 52 ? 5.556 -11.667 -16.905 1.00 56.43 52 A 1 ATOM 423 N NH2 . ARG A 1 52 ? 6.021 -12.671 -14.969 1.00 52.36 52 A 1 ATOM 424 N N . ILE A 1 53 ? 2.835 -5.753 -12.469 1.00 97.52 53 A 1 ATOM 425 C CA . ILE A 1 53 ? 3.234 -5.492 -11.076 1.00 97.73 53 A 1 ATOM 426 C C . ILE A 1 53 ? 2.029 -5.084 -10.220 1.00 98.20 53 A 1 ATOM 427 O O . ILE A 1 53 ? 1.936 -5.539 -9.084 1.00 98.23 53 A 1 ATOM 428 C CB . ILE A 1 53 ? 4.386 -4.468 -11.018 1.00 97.23 53 A 1 ATOM 429 C CG1 . ILE A 1 53 ? 5.646 -5.102 -11.654 1.00 96.20 53 A 1 ATOM 430 C CG2 . ILE A 1 53 ? 4.683 -4.040 -9.569 1.00 96.24 53 A 1 ATOM 431 C CD1 . ILE A 1 53 ? 6.818 -4.137 -11.830 1.00 93.45 53 A 1 ATOM 432 N N . PHE A 1 54 ? 1.088 -4.315 -10.752 1.00 97.97 54 A 1 ATOM 433 C CA . PHE A 1 54 ? -0.167 -3.993 -10.066 1.00 98.34 54 A 1 ATOM 434 C C . PHE A 1 54 ? -0.930 -5.250 -9.615 1.00 98.51 54 A 1 ATOM 435 O O . PHE A 1 54 ? -1.473 -5.264 -8.512 1.00 98.37 54 A 1 ATOM 436 C CB . PHE A 1 54 ? -1.063 -3.137 -10.973 1.00 98.23 54 A 1 ATOM 437 C CG . PHE A 1 54 ? -0.664 -1.685 -11.196 1.00 98.24 54 A 1 ATOM 438 C CD1 . PHE A 1 54 ? 0.170 -0.995 -10.299 1.00 97.60 54 A 1 ATOM 439 C CD2 . PHE A 1 54 ? -1.240 -0.979 -12.277 1.00 97.47 54 A 1 ATOM 440 C CE1 . PHE A 1 54 ? 0.434 0.377 -10.483 1.00 97.04 54 A 1 ATOM 441 C CE2 . PHE A 1 54 ? -0.977 0.392 -12.457 1.00 96.94 54 A 1 ATOM 442 C CZ . PHE A 1 54 ? -0.140 1.071 -11.559 1.00 97.23 54 A 1 ATOM 443 N N . GLY A 1 55 ? -0.912 -6.328 -10.411 1.00 98.19 55 A 1 ATOM 444 C CA . GLY A 1 55 ? -1.542 -7.606 -10.056 1.00 98.28 55 A 1 ATOM 445 C C . GLY A 1 55 ? -0.823 -8.402 -8.957 1.00 98.51 55 A 1 ATOM 446 O O . GLY A 1 55 ? -1.343 -9.425 -8.515 1.00 98.18 55 A 1 ATOM 447 N N . LEU A 1 56 ? 0.372 -7.974 -8.509 1.00 98.04 56 A 1 ATOM 448 C CA . LEU A 1 56 ? 1.135 -8.630 -7.442 1.00 98.13 56 A 1 ATOM 449 C C . LEU A 1 56 ? 0.796 -8.038 -6.061 1.00 98.30 56 A 1 ATOM 450 O O . LEU A 1 56 ? 0.271 -6.936 -5.934 1.00 98.11 56 A 1 ATOM 451 C CB . LEU A 1 56 ? 2.646 -8.535 -7.732 1.00 98.05 56 A 1 ATOM 452 C CG . LEU A 1 56 ? 3.103 -9.122 -9.079 1.00 97.57 56 A 1 ATOM 453 C CD1 . LEU A 1 56 ? 4.607 -8.907 -9.240 1.00 96.40 56 A 1 ATOM 454 C CD2 . LEU A 1 56 ? 2.816 -10.618 -9.192 1.00 96.21 56 A 1 ATOM 455 N N . SER A 1 57 ? 1.161 -8.764 -5.001 1.00 97.75 57 A 1 ATOM 456 C CA . SER A 1 57 ? 1.053 -8.304 -3.612 1.00 97.66 57 A 1 ATOM 457 C C . SER A 1 57 ? 2.304 -8.658 -2.807 1.00 97.58 57 A 1 ATOM 458 O O . SER A 1 57 ? 3.133 -9.475 -3.231 1.00 96.81 57 A 1 ATOM 459 C CB . SER A 1 57 ? -0.217 -8.878 -2.961 1.00 97.14 57 A 1 ATOM 460 O OG . SER A 1 57 ? -0.163 -10.293 -2.915 1.00 94.48 57 A 1 ATOM 461 N N . GLY A 1 58 ? 2.469 -8.044 -1.635 1.00 97.35 58 A 1 ATOM 462 C CA . GLY A 1 58 ? 3.488 -8.382 -0.649 1.00 96.79 58 A 1 ATOM 463 C C . GLY A 1 58 ? 4.915 -8.451 -1.208 1.00 96.90 58 A 1 ATOM 464 O O . GLY A 1 58 ? 5.357 -7.594 -1.974 1.00 96.07 58 A 1 ATOM 465 N N . LEU A 1 59 ? 5.648 -9.500 -0.822 1.00 96.90 59 A 1 ATOM 466 C CA . LEU A 1 59 ? 7.053 -9.688 -1.186 1.00 96.59 59 A 1 ATOM 467 C C . LEU A 1 59 ? 7.262 -9.804 -2.704 1.00 96.61 59 A 1 ATOM 468 O O . LEU A 1 59 ? 8.250 -9.280 -3.218 1.00 96.38 59 A 1 ATOM 469 C CB . LEU A 1 59 ? 7.589 -10.931 -0.447 1.00 96.14 59 A 1 ATOM 470 C CG . LEU A 1 59 ? 9.088 -11.204 -0.667 1.00 92.09 59 A 1 ATOM 471 C CD1 . LEU A 1 59 ? 9.966 -10.066 -0.150 1.00 89.18 59 A 1 ATOM 472 C CD2 . LEU A 1 59 ? 9.489 -12.490 0.055 1.00 89.82 59 A 1 ATOM 473 N N . ALA A 1 60 ? 6.341 -10.451 -3.435 1.00 97.36 60 A 1 ATOM 474 C CA . ALA A 1 60 ? 6.433 -10.595 -4.889 1.00 97.32 60 A 1 ATOM 475 C C . ALA A 1 60 ? 6.385 -9.229 -5.592 1.00 97.05 60 A 1 ATOM 476 O O . ALA A 1 60 ? 7.217 -8.948 -6.458 1.00 96.53 60 A 1 ATOM 477 C CB . ALA A 1 60 ? 5.305 -11.518 -5.365 1.00 97.49 60 A 1 ATOM 478 N N . ALA A 1 61 ? 5.480 -8.346 -5.164 1.00 97.49 61 A 1 ATOM 479 C CA . ALA A 1 61 ? 5.398 -6.977 -5.662 1.00 97.19 61 A 1 ATOM 480 C C . ALA A 1 61 ? 6.667 -6.178 -5.338 1.00 96.41 61 A 1 ATOM 481 O O . ALA A 1 61 ? 7.263 -5.566 -6.226 1.00 95.85 61 A 1 ATOM 482 C CB . ALA A 1 61 ? 4.156 -6.316 -5.062 1.00 97.43 61 A 1 ATOM 483 N N . GLN A 1 62 ? 7.153 -6.247 -4.089 1.00 96.02 62 A 1 ATOM 484 C CA . GLN A 1 62 ? 8.378 -5.564 -3.674 1.00 95.18 62 A 1 ATOM 485 C C . GLN A 1 62 ? 9.582 -6.008 -4.513 1.00 94.78 62 A 1 ATOM 486 O O . GLN A 1 62 ? 10.355 -5.171 -4.979 1.00 94.11 62 A 1 ATOM 487 C CB . GLN A 1 62 ? 8.643 -5.819 -2.186 1.00 94.50 62 A 1 ATOM 488 C CG . GLN A 1 62 ? 9.766 -4.910 -1.672 1.00 91.46 62 A 1 ATOM 489 C CD . GLN A 1 62 ? 10.291 -5.333 -0.310 1.00 88.01 62 A 1 ATOM 490 O OE1 . GLN A 1 62 ? 10.882 -6.390 -0.150 1.00 79.66 62 A 1 ATOM 491 N NE2 . GLN A 1 62 ? 10.141 -4.521 0.711 1.00 76.47 62 A 1 ATOM 492 N N . GLN A 1 63 ? 9.758 -7.317 -4.719 1.00 95.42 63 A 1 ATOM 493 C CA . GLN A 1 63 ? 10.849 -7.870 -5.525 1.00 95.22 63 A 1 ATOM 494 C C . GLN A 1 63 ? 10.771 -7.404 -6.984 1.00 94.83 63 A 1 ATOM 495 O O . GLN A 1 63 ? 11.786 -6.964 -7.520 1.00 94.27 63 A 1 ATOM 496 C CB . GLN A 1 63 ? 10.829 -9.401 -5.446 1.00 95.75 63 A 1 ATOM 497 C CG . GLN A 1 63 ? 11.363 -9.914 -4.098 1.00 93.05 63 A 1 ATOM 498 C CD . GLN A 1 63 ? 11.252 -11.433 -3.974 1.00 89.07 63 A 1 ATOM 499 O OE1 . GLN A 1 63 ? 10.641 -12.121 -4.769 1.00 83.87 63 A 1 ATOM 500 N NE2 . GLN A 1 63 ? 11.853 -12.033 -2.972 1.00 81.80 63 A 1 ATOM 501 N N . ALA A 1 64 ? 9.584 -7.424 -7.588 1.00 94.97 64 A 1 ATOM 502 C CA . ALA A 1 64 ? 9.375 -6.952 -8.955 1.00 94.35 64 A 1 ATOM 503 C C . ALA A 1 64 ? 9.684 -5.452 -9.119 1.00 93.36 64 A 1 ATOM 504 O O . ALA A 1 64 ? 10.253 -5.042 -10.131 1.00 91.83 64 A 1 ATOM 505 C CB . ALA A 1 64 ? 7.932 -7.286 -9.352 1.00 94.79 64 A 1 ATOM 506 N N . GLY A 1 65 ? 9.390 -4.628 -8.104 1.00 93.38 65 A 1 ATOM 507 C CA . GLY A 1 65 ? 9.661 -3.185 -8.127 1.00 91.82 65 A 1 ATOM 508 C C . GLY A 1 65 ? 11.116 -2.782 -7.846 1.00 90.46 65 A 1 ATOM 509 O O . GLY A 1 65 ? 11.499 -1.646 -8.134 1.00 88.47 65 A 1 ATOM 510 N N . ARG A 1 66 ? 11.961 -3.682 -7.293 1.00 90.22 66 A 1 ATOM 511 C CA . ARG A 1 66 ? 13.347 -3.356 -6.887 1.00 88.13 66 A 1 ATOM 512 C C . ARG A 1 66 ? 14.244 -2.914 -8.043 1.00 86.73 66 A 1 ATOM 513 O O . ARG A 1 66 ? 15.060 -2.011 -7.856 1.00 82.53 66 A 1 ATOM 514 C CB . ARG A 1 66 ? 14.007 -4.553 -6.184 1.00 86.43 66 A 1 ATOM 515 C CG . ARG A 1 66 ? 13.648 -4.647 -4.700 1.00 76.98 66 A 1 ATOM 516 C CD . ARG A 1 66 ? 14.220 -5.932 -4.091 1.00 75.44 66 A 1 ATOM 517 N NE . ARG A 1 66 ? 13.756 -6.129 -2.705 1.00 68.94 66 A 1 ATOM 518 C CZ . ARG A 1 66 ? 14.193 -7.034 -1.845 1.00 62.89 66 A 1 ATOM 519 N NH1 . ARG A 1 66 ? 15.153 -7.868 -2.141 1.00 59.16 66 A 1 ATOM 520 N NH2 . ARG A 1 66 ? 13.656 -7.122 -0.661 1.00 54.30 66 A 1 ATOM 521 N N . SER A 1 67 ? 14.136 -3.547 -9.212 1.00 85.26 67 A 1 ATOM 522 C CA . SER A 1 67 ? 14.945 -3.197 -10.387 1.00 83.63 67 A 1 ATOM 523 C C . SER A 1 67 ? 14.653 -1.773 -10.867 1.00 83.74 67 A 1 ATOM 524 O O . SER A 1 67 ? 15.583 -1.014 -11.135 1.00 80.07 67 A 1 ATOM 525 C CB . SER A 1 67 ? 14.686 -4.197 -11.519 1.00 79.76 67 A 1 ATOM 526 O OG . SER A 1 67 ? 13.296 -4.288 -11.764 1.00 70.30 67 A 1 ATOM 527 N N . TYR A 1 68 ? 13.389 -1.367 -10.862 1.00 82.32 68 A 1 ATOM 528 C CA . TYR A 1 68 ? 12.945 -0.039 -11.287 1.00 82.26 68 A 1 ATOM 529 C C . TYR A 1 68 ? 13.388 1.060 -10.316 1.00 79.52 68 A 1 ATOM 530 O O . TYR A 1 68 ? 13.827 2.121 -10.754 1.00 74.79 68 A 1 ATOM 531 C CB . TYR A 1 68 ? 11.423 -0.056 -11.459 1.00 84.40 68 A 1 ATOM 532 C CG . TYR A 1 68 ? 10.965 -1.061 -12.496 1.00 86.11 68 A 1 ATOM 533 C CD1 . TYR A 1 68 ? 11.051 -0.746 -13.865 1.00 84.21 68 A 1 ATOM 534 C CD2 . TYR A 1 68 ? 10.490 -2.324 -12.095 1.00 85.42 68 A 1 ATOM 535 C CE1 . TYR A 1 68 ? 10.650 -1.684 -14.834 1.00 84.20 68 A 1 ATOM 536 C CE2 . TYR A 1 68 ? 10.090 -3.267 -13.062 1.00 85.53 68 A 1 ATOM 537 C CZ . TYR A 1 68 ? 10.165 -2.946 -14.433 1.00 86.17 68 A 1 ATOM 538 O OH . TYR A 1 68 ? 9.766 -3.850 -15.366 1.00 85.10 68 A 1 ATOM 539 N N . ALA A 1 69 ? 13.402 0.785 -9.007 1.00 74.49 69 A 1 ATOM 540 C CA . ALA A 1 69 ? 13.895 1.732 -8.001 1.00 70.09 69 A 1 ATOM 541 C C . ALA A 1 69 ? 15.394 2.076 -8.144 1.00 70.56 69 A 1 ATOM 542 O O . ALA A 1 69 ? 15.839 3.097 -7.628 1.00 65.01 69 A 1 ATOM 543 C CB . ALA A 1 69 ? 13.606 1.145 -6.614 1.00 63.28 69 A 1 ATOM 544 N N . ARG A 1 70 ? 16.193 1.217 -8.801 1.00 64.52 70 A 1 ATOM 545 C CA . ARG A 1 70 ? 17.625 1.445 -9.064 1.00 60.22 70 A 1 ATOM 546 C C . ARG A 1 70 ? 17.889 2.088 -10.427 1.00 61.98 70 A 1 ATOM 547 O O . ARG A 1 70 ? 18.915 2.731 -10.590 1.00 56.13 70 A 1 ATOM 548 C CB . ARG A 1 70 ? 18.390 0.118 -8.965 1.00 50.90 70 A 1 ATOM 549 C CG . ARG A 1 70 ? 18.433 -0.432 -7.535 1.00 45.53 70 A 1 ATOM 550 C CD . ARG A 1 70 ? 19.224 -1.740 -7.516 1.00 41.59 70 A 1 ATOM 551 N NE . ARG A 1 70 ? 19.336 -2.293 -6.157 1.00 38.23 70 A 1 ATOM 552 C CZ . ARG A 1 70 ? 19.995 -3.387 -5.817 1.00 33.80 70 A 1 ATOM 553 N NH1 . ARG A 1 70 ? 20.616 -4.120 -6.697 1.00 33.12 70 A 1 ATOM 554 N NH2 . ARG A 1 70 ? 20.042 -3.769 -4.571 1.00 31.80 70 A 1 ATOM 555 N N . ALA A 1 71 ? 17.018 1.865 -11.387 1.00 55.98 71 A 1 ATOM 556 C CA . ALA A 1 71 ? 17.203 2.270 -12.776 1.00 54.00 71 A 1 ATOM 557 C C . ALA A 1 71 ? 16.583 3.638 -13.120 1.00 57.28 71 A 1 ATOM 558 O O . ALA A 1 71 ? 16.901 4.184 -14.177 1.00 53.21 71 A 1 ATOM 559 C CB . ALA A 1 71 ? 16.631 1.156 -13.662 1.00 46.84 71 A 1 ATOM 560 N N . GLN A 1 72 ? 15.691 4.176 -12.287 1.00 61.61 72 A 1 ATOM 561 C CA . GLN A 1 72 ? 14.933 5.393 -12.581 1.00 60.47 72 A 1 ATOM 562 C C . GLN A 1 72 ? 15.126 6.464 -11.505 1.00 64.31 72 A 1 ATOM 563 O O . GLN A 1 72 ? 15.379 6.160 -10.337 1.00 58.53 72 A 1 ATOM 564 C CB . GLN A 1 72 ? 13.441 5.060 -12.783 1.00 54.97 72 A 1 ATOM 565 C CG . GLN A 1 72 ? 13.226 4.114 -13.980 1.00 49.23 72 A 1 ATOM 566 C CD . GLN A 1 72 ? 11.759 3.836 -14.293 1.00 45.83 72 A 1 ATOM 567 O OE1 . GLN A 1 72 ? 10.833 4.255 -13.633 1.00 43.64 72 A 1 ATOM 568 N NE2 . GLN A 1 72 ? 11.489 3.099 -15.353 1.00 42.00 72 A 1 ATOM 569 N N . ASP A 1 73 ? 14.976 7.722 -11.919 1.00 68.48 73 A 1 ATOM 570 C CA . ASP A 1 73 ? 14.830 8.864 -11.022 1.00 69.92 73 A 1 ATOM 571 C C . ASP A 1 73 ? 13.680 8.601 -10.030 1.00 71.13 73 A 1 ATOM 572 O O . ASP A 1 73 ? 12.535 8.365 -10.427 1.00 65.08 73 A 1 ATOM 573 C CB . ASP A 1 73 ? 14.579 10.126 -11.866 1.00 65.15 73 A 1 ATOM 574 C CG . ASP A 1 73 ? 14.107 11.317 -11.034 1.00 62.70 73 A 1 ATOM 575 O OD1 . ASP A 1 73 ? 14.442 11.365 -9.832 1.00 60.93 73 A 1 ATOM 576 O OD2 . ASP A 1 73 ? 13.314 12.104 -11.591 1.00 61.79 73 A 1 ATOM 577 N N . ARG A 1 74 ? 13.998 8.619 -8.737 1.00 74.54 74 A 1 ATOM 578 C CA . ARG A 1 74 ? 13.033 8.358 -7.657 1.00 74.13 74 A 1 ATOM 579 C C . ARG A 1 74 ? 11.962 9.447 -7.540 1.00 78.21 74 A 1 ATOM 580 O O . ARG A 1 74 ? 10.915 9.194 -6.943 1.00 73.49 74 A 1 ATOM 581 C CB . ARG A 1 74 ? 13.771 8.194 -6.325 1.00 67.36 74 A 1 ATOM 582 C CG . ARG A 1 74 ? 14.669 6.950 -6.299 1.00 60.91 74 A 1 ATOM 583 C CD . ARG A 1 74 ? 15.283 6.816 -4.902 1.00 57.43 74 A 1 ATOM 584 N NE . ARG A 1 74 ? 16.148 5.625 -4.783 1.00 53.53 74 A 1 ATOM 585 C CZ . ARG A 1 74 ? 16.701 5.207 -3.657 1.00 47.77 74 A 1 ATOM 586 N NH1 . ARG A 1 74 ? 16.527 5.832 -2.526 1.00 45.19 74 A 1 ATOM 587 N NH2 . ARG A 1 74 ? 17.451 4.146 -3.637 1.00 42.84 74 A 1 ATOM 588 N N . GLY A 1 75 ? 12.216 10.620 -8.108 1.00 83.57 75 A 1 ATOM 589 C CA . GLY A 1 75 ? 11.283 11.740 -8.170 1.00 86.89 75 A 1 ATOM 590 C C . GLY A 1 75 ? 10.217 11.604 -9.254 1.00 90.01 75 A 1 ATOM 591 O O . GLY A 1 75 ? 9.224 12.332 -9.211 1.00 88.58 75 A 1 ATOM 592 N N . THR A 1 76 ? 10.370 10.678 -10.208 1.00 90.92 76 A 1 ATOM 593 C CA . THR A 1 76 ? 9.416 10.456 -11.299 1.00 91.51 76 A 1 ATOM 594 C C . THR A 1 76 ? 8.653 9.148 -11.101 1.00 92.17 76 A 1 ATOM 595 O O . THR A 1 76 ? 9.230 8.062 -11.066 1.00 91.73 76 A 1 ATOM 596 C CB . THR A 1 76 ? 10.106 10.489 -12.666 1.00 90.63 76 A 1 ATOM 597 O OG1 . THR A 1 76 ? 10.769 11.717 -12.843 1.00 87.21 76 A 1 ATOM 598 C CG2 . THR A 1 76 ? 9.097 10.380 -13.811 1.00 87.65 76 A 1 ATOM 599 N N . LEU A 1 77 ? 7.331 9.250 -11.013 1.00 92.93 77 A 1 ATOM 600 C CA . LEU A 1 77 ? 6.392 8.130 -11.000 1.00 93.39 77 A 1 ATOM 601 C C . LEU A 1 77 ? 5.586 8.100 -12.302 1.00 93.67 77 A 1 ATOM 602 O O . LEU A 1 77 ? 5.585 9.066 -13.066 1.00 93.40 77 A 1 ATOM 603 C CB . LEU A 1 77 ? 5.489 8.232 -9.762 1.00 93.56 77 A 1 ATOM 604 C CG . LEU A 1 77 ? 6.227 8.186 -8.418 1.00 92.84 77 A 1 ATOM 605 C CD1 . LEU A 1 77 ? 5.204 8.286 -7.285 1.00 92.28 77 A 1 ATOM 606 C CD2 . LEU A 1 77 ? 7.032 6.901 -8.228 1.00 92.21 77 A 1 ATOM 607 N N . PHE A 1 78 ? 4.883 6.997 -12.549 1.00 94.30 78 A 1 ATOM 608 C CA . PHE A 1 78 ? 4.093 6.801 -13.760 1.00 94.46 78 A 1 ATOM 609 C C . PHE A 1 78 ? 2.695 6.280 -13.437 1.00 95.30 78 A 1 ATOM 610 O O . PHE A 1 78 ? 2.540 5.319 -12.688 1.00 95.16 78 A 1 ATOM 611 C CB . PHE A 1 78 ? 4.820 5.847 -14.716 1.00 93.77 78 A 1 ATOM 612 C CG . PHE A 1 78 ? 6.205 6.310 -15.123 1.00 93.13 78 A 1 ATOM 613 C CD1 . PHE A 1 78 ? 6.372 7.159 -16.231 1.00 92.03 78 A 1 ATOM 614 C CD2 . PHE A 1 78 ? 7.326 5.922 -14.366 1.00 92.31 78 A 1 ATOM 615 C CE1 . PHE A 1 78 ? 7.652 7.618 -16.584 1.00 91.41 78 A 1 ATOM 616 C CE2 . PHE A 1 78 ? 8.607 6.386 -14.716 1.00 91.65 78 A 1 ATOM 617 C CZ . PHE A 1 78 ? 8.770 7.232 -15.823 1.00 91.15 78 A 1 ATOM 618 N N . TRP A 1 79 ? 1.685 6.860 -14.077 1.00 94.50 79 A 1 ATOM 619 C CA . TRP A 1 79 ? 0.330 6.326 -14.104 1.00 95.44 79 A 1 ATOM 620 C C . TRP A 1 79 ? -0.031 5.974 -15.541 1.00 95.54 79 A 1 ATOM 621 O O . TRP A 1 79 ? -0.166 6.861 -16.390 1.00 94.34 79 A 1 ATOM 622 C CB . TRP A 1 79 ? -0.656 7.319 -13.507 1.00 95.33 79 A 1 ATOM 623 C CG . TRP A 1 79 ? -2.046 6.772 -13.387 1.00 94.92 79 A 1 ATOM 624 C CD1 . TRP A 1 79 ? -3.131 7.189 -14.075 1.00 92.46 79 A 1 ATOM 625 C CD2 . TRP A 1 79 ? -2.513 5.696 -12.520 1.00 94.54 79 A 1 ATOM 626 N NE1 . TRP A 1 79 ? -4.242 6.467 -13.683 1.00 91.08 79 A 1 ATOM 627 C CE2 . TRP A 1 79 ? -3.920 5.537 -12.719 1.00 93.48 79 A 1 ATOM 628 C CE3 . TRP A 1 79 ? -1.896 4.848 -11.573 1.00 91.68 79 A 1 ATOM 629 C CZ2 . TRP A 1 79 ? -4.674 4.597 -12.002 1.00 92.57 79 A 1 ATOM 630 C CZ3 . TRP A 1 79 ? -2.644 3.901 -10.855 1.00 90.88 79 A 1 ATOM 631 C CH2 . TRP A 1 79 ? -4.028 3.779 -11.061 1.00 90.66 79 A 1 ATOM 632 N N . LEU A 1 80 ? -0.100 4.669 -15.849 1.00 95.46 80 A 1 ATOM 633 C CA . LEU A 1 80 ? -0.374 4.141 -17.193 1.00 95.30 80 A 1 ATOM 634 C C . LEU A 1 80 ? 0.542 4.743 -18.282 1.00 95.16 80 A 1 ATOM 635 O O . LEU A 1 80 ? 0.106 5.104 -19.371 1.00 92.81 80 A 1 ATOM 636 C CB . LEU A 1 80 ? -1.877 4.268 -17.501 1.00 94.88 80 A 1 ATOM 637 C CG . LEU A 1 80 ? -2.804 3.581 -16.485 1.00 93.79 80 A 1 ATOM 638 C CD1 . LEU A 1 80 ? -4.257 3.819 -16.884 1.00 90.61 80 A 1 ATOM 639 C CD2 . LEU A 1 80 ? -2.545 2.077 -16.412 1.00 90.55 80 A 1 ATOM 640 N N . GLY A 1 81 ? 1.836 4.859 -17.961 1.00 94.06 81 A 1 ATOM 641 C CA . GLY A 1 81 ? 2.865 5.416 -18.843 1.00 93.10 81 A 1 ATOM 642 C C . GLY A 1 81 ? 2.994 6.944 -18.813 1.00 93.63 81 A 1 ATOM 643 O O . GLY A 1 81 ? 3.986 7.460 -19.332 1.00 91.96 81 A 1 ATOM 644 N N . VAL A 1 82 ? 2.062 7.666 -18.188 1.00 94.82 82 A 1 ATOM 645 C CA . VAL A 1 82 ? 2.113 9.128 -18.028 1.00 94.93 82 A 1 ATOM 646 C C . VAL A 1 82 ? 2.991 9.472 -16.820 1.00 94.95 82 A 1 ATOM 647 O O . VAL A 1 82 ? 2.690 9.021 -15.714 1.00 94.26 82 A 1 ATOM 648 C CB . VAL A 1 82 ? 0.706 9.731 -17.877 1.00 94.83 82 A 1 ATOM 649 C CG1 . VAL A 1 82 ? 0.765 11.261 -17.781 1.00 92.99 82 A 1 ATOM 650 C CG2 . VAL A 1 82 ? -0.180 9.365 -19.078 1.00 92.47 82 A 1 ATOM 651 N N . PRO A 1 83 ? 4.097 10.246 -16.996 1.00 93.50 83 A 1 ATOM 652 C CA . PRO A 1 83 ? 4.965 10.637 -15.895 1.00 93.48 83 A 1 ATOM 653 C C . PRO A 1 83 ? 4.318 11.727 -15.036 1.00 93.69 83 A 1 ATOM 654 O O . PRO A 1 83 ? 3.682 12.649 -15.544 1.00 93.02 83 A 1 ATOM 655 C CB . PRO A 1 83 ? 6.260 11.124 -16.544 1.00 92.54 83 A 1 ATOM 656 C CG . PRO A 1 83 ? 5.781 11.692 -17.884 1.00 91.32 83 A 1 ATOM 657 C CD . PRO A 1 83 ? 4.611 10.783 -18.253 1.00 92.69 83 A 1 ATOM 658 N N . PHE A 1 84 ? 4.564 11.671 -13.727 1.00 92.68 84 A 1 ATOM 659 C CA . PHE A 1 84 ? 4.217 12.720 -12.777 1.00 92.62 84 A 1 ATOM 660 C C . PHE A 1 84 ? 5.220 12.746 -11.618 1.00 93.12 84 A 1 ATOM 661 O O . PHE A 1 84 ? 5.967 11.794 -11.392 1.00 92.63 84 A 1 ATOM 662 C CB . PHE A 1 84 ? 2.767 12.540 -12.290 1.00 91.56 84 A 1 ATOM 663 C CG . PHE A 1 84 ? 2.525 11.286 -11.478 1.00 91.72 84 A 1 ATOM 664 C CD1 . PHE A 1 84 ? 2.288 10.059 -12.123 1.00 89.04 84 A 1 ATOM 665 C CD2 . PHE A 1 84 ? 2.542 11.345 -10.076 1.00 89.82 84 A 1 ATOM 666 C CE1 . PHE A 1 84 ? 2.076 8.895 -11.368 1.00 86.33 84 A 1 ATOM 667 C CE2 . PHE A 1 84 ? 2.329 10.179 -9.322 1.00 87.86 84 A 1 ATOM 668 C CZ . PHE A 1 84 ? 2.099 8.953 -9.970 1.00 86.89 84 A 1 ATOM 669 N N . SER A 1 85 ? 5.277 13.856 -10.891 1.00 93.11 85 A 1 ATOM 670 C CA . SER A 1 85 ? 6.227 14.023 -9.790 1.00 93.49 85 A 1 ATOM 671 C C . SER A 1 85 ? 5.751 13.321 -8.518 1.00 93.93 85 A 1 ATOM 672 O O . SER A 1 85 ? 4.620 13.523 -8.070 1.00 93.60 85 A 1 ATOM 673 C CB . SER A 1 85 ? 6.479 15.511 -9.529 1.00 92.71 85 A 1 ATOM 674 O OG . SER A 1 85 ? 7.339 15.677 -8.417 1.00 89.90 85 A 1 ATOM 675 N N . ARG A 1 86 ? 6.674 12.581 -7.862 1.00 92.44 86 A 1 ATOM 676 C CA . ARG A 1 86 ? 6.516 12.003 -6.516 1.00 92.85 86 A 1 ATOM 677 C C . ARG A 1 86 ? 6.124 13.053 -5.460 1.00 93.56 86 A 1 ATOM 678 O O . ARG A 1 86 ? 5.483 12.715 -4.473 1.00 92.75 86 A 1 ATOM 679 C CB . ARG A 1 86 ? 7.845 11.302 -6.155 1.00 91.42 86 A 1 ATOM 680 C CG . ARG A 1 86 ? 7.990 10.826 -4.705 1.00 87.40 86 A 1 ATOM 681 C CD . ARG A 1 86 ? 6.912 9.835 -4.302 1.00 85.75 86 A 1 ATOM 682 N NE . ARG A 1 86 ? 7.060 9.480 -2.886 1.00 84.63 86 A 1 ATOM 683 C CZ . ARG A 1 86 ? 6.495 10.071 -1.845 1.00 85.50 86 A 1 ATOM 684 N NH1 . ARG A 1 86 ? 5.702 11.098 -1.933 1.00 76.41 86 A 1 ATOM 685 N NH2 . ARG A 1 86 ? 6.720 9.605 -0.659 1.00 77.29 86 A 1 ATOM 686 N N . TYR A 1 87 ? 6.539 14.301 -5.670 1.00 93.45 87 A 1 ATOM 687 C CA . TYR A 1 87 ? 6.318 15.415 -4.738 1.00 93.61 87 A 1 ATOM 688 C C . TYR A 1 87 ? 5.013 16.180 -5.010 1.00 94.45 87 A 1 ATOM 689 O O . TYR A 1 87 ? 4.674 17.094 -4.263 1.00 93.55 87 A 1 ATOM 690 C CB . TYR A 1 87 ? 7.530 16.351 -4.791 1.00 92.63 87 A 1 ATOM 691 C CG . TYR A 1 87 ? 8.863 15.621 -4.725 1.00 92.13 87 A 1 ATOM 692 C CD1 . TYR A 1 87 ? 9.378 15.164 -3.497 1.00 89.52 87 A 1 ATOM 693 C CD2 . TYR A 1 87 ? 9.569 15.371 -5.917 1.00 89.63 87 A 1 ATOM 694 C CE1 . TYR A 1 87 ? 10.596 14.457 -3.465 1.00 88.31 87 A 1 ATOM 695 C CE2 . TYR A 1 87 ? 10.784 14.664 -5.889 1.00 88.47 87 A 1 ATOM 696 C CZ . TYR A 1 87 ? 11.298 14.208 -4.665 1.00 88.40 87 A 1 ATOM 697 O OH . TYR A 1 87 ? 12.468 13.525 -4.661 1.00 85.88 87 A 1 ATOM 698 N N . SER A 1 88 ? 4.285 15.817 -6.075 1.00 94.66 88 A 1 ATOM 699 C CA . SER A 1 88 ? 3.059 16.508 -6.485 1.00 95.08 88 A 1 ATOM 700 C C . SER A 1 88 ? 1.850 16.156 -5.600 1.00 96.01 88 A 1 ATOM 701 O O . SER A 1 88 ? 1.770 15.041 -5.078 1.00 96.20 88 A 1 ATOM 702 C CB . SER A 1 88 ? 2.743 16.235 -7.956 1.00 94.24 88 A 1 ATOM 703 O OG . SER A 1 88 ? 2.419 14.879 -8.171 1.00 92.06 88 A 1 ATOM 704 N N . PRO A 1 89 ? 0.856 17.054 -5.497 1.00 95.85 89 A 1 ATOM 705 C CA . PRO A 1 89 ? -0.444 16.723 -4.906 1.00 96.27 89 A 1 ATOM 706 C C . PRO A 1 89 ? -1.133 15.530 -5.586 1.00 96.86 89 A 1 ATOM 707 O O . PRO A 1 89 ? -1.761 14.731 -4.899 1.00 96.50 89 A 1 ATOM 708 C CB . PRO A 1 89 ? -1.288 17.997 -5.035 1.00 95.79 89 A 1 ATOM 709 C CG . PRO A 1 89 ? -0.246 19.112 -5.093 1.00 93.62 89 A 1 ATOM 710 C CD . PRO A 1 89 ? 0.895 18.461 -5.874 1.00 95.58 89 A 1 ATOM 711 N N . ALA A 1 90 ? -0.930 15.355 -6.902 1.00 95.96 90 A 1 ATOM 712 C CA . ALA A 1 90 ? -1.478 14.239 -7.674 1.00 95.90 90 A 1 ATOM 713 C C . ALA A 1 90 ? -1.026 12.869 -7.138 1.00 96.67 90 A 1 ATOM 714 O O . ALA A 1 90 ? -1.815 11.930 -7.112 1.00 96.52 90 A 1 ATOM 715 C CB . ALA A 1 90 ? -1.063 14.414 -9.142 1.00 94.95 90 A 1 ATOM 716 N N . TRP A 1 91 ? 0.224 12.744 -6.650 1.00 96.13 91 A 1 ATOM 717 C CA . TRP A 1 91 ? 0.665 11.508 -6.002 1.00 96.62 91 A 1 ATOM 718 C C . TRP A 1 91 ? -0.110 11.240 -4.718 1.00 97.18 91 A 1 ATOM 719 O O . TRP A 1 91 ? -0.580 10.123 -4.504 1.00 97.07 91 A 1 ATOM 720 C CB . TRP A 1 91 ? 2.169 11.548 -5.711 1.00 95.97 91 A 1 ATOM 721 C CG . TRP A 1 91 ? 2.653 10.350 -4.941 1.00 95.88 91 A 1 ATOM 722 C CD1 . TRP A 1 91 ? 3.361 10.388 -3.793 1.00 95.08 91 A 1 ATOM 723 C CD2 . TRP A 1 91 ? 2.440 8.933 -5.231 1.00 95.74 91 A 1 ATOM 724 N NE1 . TRP A 1 91 ? 3.615 9.104 -3.361 1.00 94.37 91 A 1 ATOM 725 C CE2 . TRP A 1 91 ? 3.065 8.165 -4.208 1.00 94.98 91 A 1 ATOM 726 C CE3 . TRP A 1 91 ? 1.776 8.216 -6.248 1.00 94.48 91 A 1 ATOM 727 C CZ2 . TRP A 1 91 ? 3.041 6.761 -4.202 1.00 93.90 91 A 1 ATOM 728 C CZ3 . TRP A 1 91 ? 1.745 6.809 -6.253 1.00 93.79 91 A 1 ATOM 729 C CH2 . TRP A 1 91 ? 2.375 6.085 -5.237 1.00 93.19 91 A 1 ATOM 730 N N . LYS A 1 92 ? -0.274 12.272 -3.867 1.00 96.60 92 A 1 ATOM 731 C CA . LYS A 1 92 ? -1.029 12.149 -2.616 1.00 97.09 92 A 1 ATOM 732 C C . LYS A 1 92 ? -2.476 11.736 -2.873 1.00 97.60 92 A 1 ATOM 733 O O . LYS A 1 92 ? -2.979 10.853 -2.188 1.00 97.62 92 A 1 ATOM 734 C CB . LYS A 1 92 ? -0.934 13.450 -1.806 1.00 96.77 92 A 1 ATOM 735 C CG . LYS A 1 92 ? -1.671 13.307 -0.466 1.00 95.25 92 A 1 ATOM 736 C CD . LYS A 1 92 ? -1.487 14.519 0.448 1.00 92.69 92 A 1 ATOM 737 C CE . LYS A 1 92 ? -2.249 14.246 1.750 1.00 87.39 92 A 1 ATOM 738 N NZ . LYS A 1 92 ? -2.084 15.336 2.744 1.00 78.81 92 A 1 ATOM 739 N N . GLU A 1 93 ? -3.119 12.343 -3.852 1.00 97.25 93 A 1 ATOM 740 C CA . GLU A 1 93 ? -4.482 11.988 -4.249 1.00 97.29 93 A 1 ATOM 741 C C . GLU A 1 93 ? -4.558 10.538 -4.748 1.00 97.67 93 A 1 ATOM 742 O O . GLU A 1 93 ? -5.359 9.751 -4.241 1.00 97.60 93 A 1 ATOM 743 C CB . GLU A 1 93 ? -4.934 12.998 -5.311 1.00 96.95 93 A 1 ATOM 744 C CG . GLU A 1 93 ? -6.400 12.808 -5.705 1.00 85.38 93 A 1 ATOM 745 C CD . GLU A 1 93 ? -6.884 13.880 -6.700 1.00 82.08 93 A 1 ATOM 746 O OE1 . GLU A 1 93 ? -8.068 13.798 -7.084 1.00 73.30 93 A 1 ATOM 747 O OE2 . GLU A 1 93 ? -6.079 14.778 -7.049 1.00 74.81 93 A 1 ATOM 748 N N . LEU A 1 94 ? -3.649 10.139 -5.652 1.00 97.29 94 A 1 ATOM 749 C CA . LEU A 1 94 ? -3.639 8.806 -6.248 1.00 97.61 94 A 1 ATOM 750 C C . LEU A 1 94 ? -3.464 7.696 -5.201 1.00 98.02 94 A 1 ATOM 751 O O . LEU A 1 94 ? -4.231 6.732 -5.198 1.00 98.01 94 A 1 ATOM 752 C CB . LEU A 1 94 ? -2.540 8.758 -7.329 1.00 97.54 94 A 1 ATOM 753 C CG . LEU A 1 94 ? -2.481 7.425 -8.092 1.00 96.48 94 A 1 ATOM 754 C CD1 . LEU A 1 94 ? -3.728 7.184 -8.936 1.00 95.32 94 A 1 ATOM 755 C CD2 . LEU A 1 94 ? -1.268 7.411 -9.023 1.00 95.49 94 A 1 ATOM 756 N N . TYR A 1 95 ? -2.467 7.799 -4.291 1.00 97.79 95 A 1 ATOM 757 C CA . TYR A 1 95 ? -2.320 6.769 -3.260 1.00 97.97 95 A 1 ATOM 758 C C . TYR A 1 95 ? -3.470 6.809 -2.254 1.00 98.20 95 A 1 ATOM 759 O O . TYR A 1 95 ? -3.913 5.755 -1.819 1.00 98.09 95 A 1 ATOM 760 C CB . TYR A 1 95 ? -0.937 6.782 -2.580 1.00 97.72 95 A 1 ATOM 761 C CG . TYR A 1 95 ? -0.656 7.879 -1.575 1.00 97.69 95 A 1 ATOM 762 C CD1 . TYR A 1 95 ? 0.334 8.836 -1.841 1.00 96.61 95 A 1 ATOM 763 C CD2 . TYR A 1 95 ? -1.342 7.924 -0.343 1.00 96.89 95 A 1 ATOM 764 C CE1 . TYR A 1 95 ? 0.607 9.856 -0.913 1.00 95.99 95 A 1 ATOM 765 C CE2 . TYR A 1 95 ? -1.082 8.953 0.584 1.00 96.07 95 A 1 ATOM 766 C CZ . TYR A 1 95 ? -0.113 9.928 0.294 1.00 96.30 95 A 1 ATOM 767 O OH . TYR A 1 95 ? 0.114 10.944 1.165 1.00 95.07 95 A 1 ATOM 768 N N . THR A 1 96 ? -3.990 7.984 -1.909 1.00 97.91 96 A 1 ATOM 769 C CA . THR A 1 96 ? -5.137 8.086 -0.995 1.00 98.00 96 A 1 ATOM 770 C C . THR A 1 96 ? -6.338 7.336 -1.571 1.00 98.14 96 A 1 ATOM 771 O O . THR A 1 96 ? -6.893 6.475 -0.889 1.00 98.06 96 A 1 ATOM 772 C CB . THR A 1 96 ? -5.484 9.551 -0.683 1.00 97.82 96 A 1 ATOM 773 O OG1 . THR A 1 96 ? -4.373 10.185 -0.089 1.00 96.05 96 A 1 ATOM 774 C CG2 . THR A 1 96 ? -6.638 9.690 0.304 1.00 95.63 96 A 1 ATOM 775 N N . ASN A 1 97 ? -6.652 7.550 -2.850 1.00 98.14 97 A 1 ATOM 776 C CA . ASN A 1 97 ? -7.726 6.837 -3.545 1.00 98.11 97 A 1 ATOM 777 C C . ASN A 1 97 ? -7.491 5.319 -3.558 1.00 98.37 97 A 1 ATOM 778 O O . ASN A 1 97 ? -8.396 4.557 -3.223 1.00 98.30 97 A 1 ATOM 779 C CB . ASN A 1 97 ? -7.874 7.410 -4.967 1.00 97.75 97 A 1 ATOM 780 C CG . ASN A 1 97 ? -8.423 8.831 -4.982 1.00 88.89 97 A 1 ATOM 781 O OD1 . ASN A 1 97 ? -8.914 9.346 -3.989 1.00 79.52 97 A 1 ATOM 782 N ND2 . ASN A 1 97 ? -8.364 9.501 -6.106 1.00 77.38 97 A 1 ATOM 783 N N . ALA A 1 98 ? -6.260 4.857 -3.835 1.00 98.24 98 A 1 ATOM 784 C CA . ALA A 1 98 ? -5.930 3.429 -3.800 1.00 98.40 98 A 1 ATOM 785 C C . ALA A 1 98 ? -6.167 2.795 -2.416 1.00 98.47 98 A 1 ATOM 786 O O . ALA A 1 98 ? -6.679 1.679 -2.313 1.00 98.42 98 A 1 ATOM 787 C CB . ALA A 1 98 ? -4.473 3.250 -4.252 1.00 98.48 98 A 1 ATOM 788 N N . TYR A 1 99 ? -5.826 3.502 -1.330 1.00 98.47 99 A 1 ATOM 789 C CA . TYR A 1 99 ? -6.088 3.023 0.032 1.00 98.41 99 A 1 ATOM 790 C C . TYR A 1 99 ? -7.588 3.015 0.364 1.00 98.29 99 A 1 ATOM 791 O O . TYR A 1 99 ? -8.056 2.071 1.003 1.00 97.84 99 A 1 ATOM 792 C CB . TYR A 1 99 ? -5.311 3.859 1.052 1.00 98.28 99 A 1 ATOM 793 C CG . TYR A 1 99 ? -3.879 3.429 1.286 1.00 98.19 99 A 1 ATOM 794 C CD1 . TYR A 1 99 ? -3.510 2.818 2.500 1.00 97.16 99 A 1 ATOM 795 C CD2 . TYR A 1 99 ? -2.900 3.690 0.311 1.00 97.36 99 A 1 ATOM 796 C CE1 . TYR A 1 99 ? -2.161 2.497 2.740 1.00 96.65 99 A 1 ATOM 797 C CE2 . TYR A 1 99 ? -1.557 3.370 0.540 1.00 96.67 99 A 1 ATOM 798 C CZ . TYR A 1 99 ? -1.181 2.786 1.761 1.00 97.13 99 A 1 ATOM 799 O OH . TYR A 1 99 ? 0.128 2.526 1.982 1.00 95.92 99 A 1 ATOM 800 N N . PHE A 1 100 ? -8.345 4.013 -0.087 1.00 98.16 100 A 1 ATOM 801 C CA . PHE A 1 100 ? -9.802 4.030 0.065 1.00 98.00 100 A 1 ATOM 802 C C . PHE A 1 100 ? -10.463 2.870 -0.681 1.00 98.08 100 A 1 ATOM 803 O O . PHE A 1 100 ? -11.246 2.129 -0.076 1.00 97.82 100 A 1 ATOM 804 C CB . PHE A 1 100 ? -10.378 5.383 -0.386 1.00 97.40 100 A 1 ATOM 805 C CG . PHE A 1 100 ? -10.499 6.390 0.745 1.00 90.84 100 A 1 ATOM 806 C CD1 . PHE A 1 100 ? -11.607 6.333 1.612 1.00 85.06 100 A 1 ATOM 807 C CD2 . PHE A 1 100 ? -9.518 7.379 0.941 1.00 84.55 100 A 1 ATOM 808 C CE1 . PHE A 1 100 ? -11.727 7.258 2.668 1.00 80.22 100 A 1 ATOM 809 C CE2 . PHE A 1 100 ? -9.636 8.301 1.998 1.00 79.82 100 A 1 ATOM 810 C CZ . PHE A 1 100 ? -10.740 8.239 2.863 1.00 78.50 100 A 1 ATOM 811 N N . GLU A 1 101 ? -10.095 2.628 -1.943 1.00 97.85 101 A 1 ATOM 812 C CA . GLU A 1 101 ? -10.610 1.501 -2.727 1.00 98.03 101 A 1 ATOM 813 C C . GLU A 1 101 ? -10.265 0.153 -2.081 1.00 98.13 101 A 1 ATOM 814 O O . GLU A 1 101 ? -11.130 -0.714 -1.911 1.00 97.96 101 A 1 ATOM 815 C CB . GLU A 1 101 ? -10.051 1.560 -4.158 1.00 98.09 101 A 1 ATOM 816 C CG . GLU A 1 101 ? -10.673 2.686 -5.004 1.00 96.93 101 A 1 ATOM 817 C CD . GLU A 1 101 ? -12.196 2.550 -5.181 1.00 96.76 101 A 1 ATOM 818 O OE1 . GLU A 1 101 ? -12.834 3.561 -5.529 1.00 91.77 101 A 1 ATOM 819 O OE2 . GLU A 1 101 ? -12.726 1.432 -4.960 1.00 92.39 101 A 1 ATOM 820 N N . ALA A 1 102 ? -9.014 -0.010 -1.614 1.00 98.15 102 A 1 ATOM 821 C CA . ALA A 1 102 ? -8.612 -1.202 -0.872 1.00 98.17 102 A 1 ATOM 822 C C . ALA A 1 102 ? -9.445 -1.382 0.411 1.00 98.18 102 A 1 ATOM 823 O O . ALA A 1 102 ? -9.882 -2.494 0.707 1.00 98.04 102 A 1 ATOM 824 C CB . ALA A 1 102 ? -7.110 -1.127 -0.567 1.00 98.24 102 A 1 ATOM 825 N N . ALA A 1 103 ? -9.715 -0.306 1.163 1.00 98.05 103 A 1 ATOM 826 C CA . ALA A 1 103 ? -10.541 -0.367 2.368 1.00 97.75 103 A 1 ATOM 827 C C . ALA A 1 103 ? -12.005 -0.706 2.041 1.00 97.70 103 A 1 ATOM 828 O O . ALA A 1 103 ? -12.570 -1.616 2.647 1.00 97.32 103 A 1 ATOM 829 C CB . ALA A 1 103 ? -10.417 0.951 3.142 1.00 97.40 103 A 1 ATOM 830 N N . ILE A 1 104 ? -12.613 -0.048 1.055 1.00 97.51 104 A 1 ATOM 831 C CA . ILE A 1 104 ? -14.014 -0.266 0.648 1.00 97.21 104 A 1 ATOM 832 C C . ILE A 1 104 ? -14.234 -1.724 0.228 1.00 97.65 104 A 1 ATOM 833 O O . ILE A 1 104 ? -15.201 -2.360 0.662 1.00 97.46 104 A 1 ATOM 834 C CB . ILE A 1 104 ? -14.404 0.737 -0.466 1.00 96.24 104 A 1 ATOM 835 C CG1 . ILE A 1 104 ? -14.527 2.159 0.137 1.00 90.29 104 A 1 ATOM 836 C CG2 . ILE A 1 104 ? -15.732 0.348 -1.150 1.00 88.97 104 A 1 ATOM 837 C CD1 . ILE A 1 104 ? -14.585 3.277 -0.914 1.00 80.45 104 A 1 ATOM 838 N N . GLN A 1 105 ? -13.307 -2.282 -0.546 1.00 97.89 105 A 1 ATOM 839 C CA . GLN A 1 105 ? -13.453 -3.608 -1.155 1.00 98.24 105 A 1 ATOM 840 C C . GLN A 1 105 ? -13.000 -4.762 -0.243 1.00 98.40 105 A 1 ATOM 841 O O . GLN A 1 105 ? -13.358 -5.912 -0.494 1.00 98.30 105 A 1 ATOM 842 C CB . GLN A 1 105 ? -12.742 -3.596 -2.513 1.00 98.36 105 A 1 ATOM 843 C CG . GLN A 1 105 ? -13.396 -2.580 -3.480 1.00 98.22 105 A 1 ATOM 844 C CD . GLN A 1 105 ? -12.640 -2.440 -4.790 1.00 98.37 105 A 1 ATOM 845 O OE1 . GLN A 1 105 ? -12.331 -3.415 -5.459 1.00 95.38 105 A 1 ATOM 846 N NE2 . GLN A 1 105 ? -12.325 -1.235 -5.207 1.00 95.69 105 A 1 ATOM 847 N N . ASN A 1 106 ? -12.282 -4.492 0.860 1.00 98.03 106 A 1 ATOM 848 C CA . ASN A 1 106 ? -11.757 -5.531 1.748 1.00 98.00 106 A 1 ATOM 849 C C . ASN A 1 106 ? -12.217 -5.342 3.195 1.00 98.02 106 A 1 ATOM 850 O O . ASN A 1 106 ? -11.655 -4.557 3.962 1.00 97.79 106 A 1 ATOM 851 C CB . ASN A 1 106 ? -10.232 -5.597 1.630 1.00 97.98 106 A 1 ATOM 852 C CG . ASN A 1 106 ? -9.791 -6.017 0.245 1.00 97.80 106 A 1 ATOM 853 O OD1 . ASN A 1 106 ? -9.724 -7.197 -0.056 1.00 93.38 106 A 1 ATOM 854 N ND2 . ASN A 1 106 ? -9.493 -5.078 -0.625 1.00 94.02 106 A 1 ATOM 855 N N . LYS A 1 107 ? -13.212 -6.147 3.624 1.00 97.89 107 A 1 ATOM 856 C CA . LYS A 1 107 ? -13.708 -6.129 5.011 1.00 97.89 107 A 1 ATOM 857 C C . LYS A 1 107 ? -12.593 -6.354 6.039 1.00 98.01 107 A 1 ATOM 858 O O . LYS A 1 107 ? -12.552 -5.646 7.035 1.00 97.81 107 A 1 ATOM 859 C CB . LYS A 1 107 ? -14.836 -7.166 5.185 1.00 97.69 107 A 1 ATOM 860 C CG . LYS A 1 107 ? -15.509 -7.007 6.560 1.00 95.95 107 A 1 ATOM 861 C CD . LYS A 1 107 ? -16.523 -8.120 6.855 1.00 93.65 107 A 1 ATOM 862 C CE . LYS A 1 107 ? -17.202 -7.914 8.220 1.00 89.57 107 A 1 ATOM 863 N NZ . LYS A 1 107 ? -16.244 -7.876 9.352 1.00 82.01 107 A 1 ATOM 864 N N . GLY A 1 108 ? -11.664 -7.294 5.790 1.00 97.64 108 A 1 ATOM 865 C CA . GLY A 1 108 ? -10.561 -7.576 6.720 1.00 97.49 108 A 1 ATOM 866 C C . GLY A 1 108 ? -9.616 -6.390 6.942 1.00 97.91 108 A 1 ATOM 867 O O . GLY A 1 108 ? -9.108 -6.215 8.049 1.00 97.58 108 A 1 ATOM 868 N N . PHE A 1 109 ? -9.425 -5.532 5.920 1.00 97.83 109 A 1 ATOM 869 C CA . PHE A 1 109 ? -8.661 -4.292 6.071 1.00 98.03 109 A 1 ATOM 870 C C . PHE A 1 109 ? -9.423 -3.276 6.940 1.00 98.05 109 A 1 ATOM 871 O O . PHE A 1 109 ? -8.853 -2.735 7.883 1.00 97.72 109 A 1 ATOM 872 C CB . PHE A 1 109 ? -8.303 -3.730 4.684 1.00 97.92 109 A 1 ATOM 873 C CG . PHE A 1 109 ? -7.377 -2.517 4.679 1.00 98.00 109 A 1 ATOM 874 C CD1 . PHE A 1 109 ? -7.454 -1.586 3.618 1.00 96.64 109 A 1 ATOM 875 C CD2 . PHE A 1 109 ? -6.415 -2.322 5.688 1.00 96.68 109 A 1 ATOM 876 C CE1 . PHE A 1 109 ? -6.586 -0.479 3.577 1.00 96.09 109 A 1 ATOM 877 C CE2 . PHE A 1 109 ? -5.557 -1.209 5.654 1.00 95.83 109 A 1 ATOM 878 C CZ . PHE A 1 109 ? -5.642 -0.287 4.598 1.00 96.81 109 A 1 ATOM 879 N N . ARG A 1 110 ? -10.735 -3.098 6.708 1.00 97.88 110 A 1 ATOM 880 C CA . ARG A 1 110 ? -11.595 -2.254 7.564 1.00 97.78 110 A 1 ATOM 881 C C . ARG A 1 110 ? -11.642 -2.749 9.009 1.00 97.97 110 A 1 ATOM 882 O O . ARG A 1 110 ? -11.507 -1.947 9.927 1.00 97.87 110 A 1 ATOM 883 C CB . ARG A 1 110 ? -13.025 -2.170 7.008 1.00 97.10 110 A 1 ATOM 884 C CG . ARG A 1 110 ? -13.088 -1.477 5.650 1.00 94.26 110 A 1 ATOM 885 C CD . ARG A 1 110 ? -14.522 -1.099 5.283 1.00 94.24 110 A 1 ATOM 886 N NE . ARG A 1 110 ? -15.434 -2.261 5.188 1.00 91.14 110 A 1 ATOM 887 C CZ . ARG A 1 110 ? -15.597 -3.058 4.148 1.00 91.61 110 A 1 ATOM 888 N NH1 . ARG A 1 110 ? -14.873 -2.978 3.076 1.00 81.16 110 A 1 ATOM 889 N NH2 . ARG A 1 110 ? -16.522 -3.970 4.156 1.00 82.67 110 A 1 ATOM 890 N N . ASP A 1 111 ? -11.779 -4.059 9.221 1.00 97.57 111 A 1 ATOM 891 C CA . ASP A 1 111 ? -11.791 -4.643 10.566 1.00 97.84 111 A 1 ATOM 892 C C . ASP A 1 111 ? -10.471 -4.351 11.307 1.00 98.04 111 A 1 ATOM 893 O O . ASP A 1 111 ? -10.483 -4.012 12.493 1.00 97.91 111 A 1 ATOM 894 C CB . ASP A 1 111 ? -12.023 -6.163 10.486 1.00 97.80 111 A 1 ATOM 895 C CG . ASP A 1 111 ? -13.409 -6.607 9.995 1.00 97.14 111 A 1 ATOM 896 O OD1 . ASP A 1 111 ? -14.387 -5.828 9.990 1.00 95.10 111 A 1 ATOM 897 O OD2 . ASP A 1 111 ? -13.553 -7.801 9.637 1.00 94.95 111 A 1 ATOM 898 N N . ALA A 1 112 ? -9.323 -4.427 10.609 1.00 97.92 112 A 1 ATOM 899 C CA . ALA A 1 112 ? -8.024 -4.091 11.185 1.00 97.88 112 A 1 ATOM 900 C C . ALA A 1 112 ? -7.898 -2.591 11.520 1.00 97.91 112 A 1 ATOM 901 O O . ALA A 1 112 ? -7.392 -2.247 12.594 1.00 97.83 112 A 1 ATOM 902 C CB . ALA A 1 112 ? -6.924 -4.567 10.230 1.00 97.98 112 A 1 ATOM 903 N N . LEU A 1 113 ? -8.399 -1.699 10.650 1.00 97.86 113 A 1 ATOM 904 C CA . LEU A 1 113 ? -8.474 -0.255 10.920 1.00 97.55 113 A 1 ATOM 905 C C . LEU A 1 113 ? -9.333 0.029 12.163 1.00 97.51 113 A 1 ATOM 906 O O . LEU A 1 113 ? -8.873 0.704 13.082 1.00 97.37 113 A 1 ATOM 907 C CB . LEU A 1 113 ? -9.034 0.488 9.690 1.00 97.40 113 A 1 ATOM 908 C CG . LEU A 1 113 ? -8.059 0.603 8.506 1.00 96.41 113 A 1 ATOM 909 C CD1 . LEU A 1 113 ? -8.819 1.038 7.251 1.00 94.93 113 A 1 ATOM 910 C CD2 . LEU A 1 113 ? -6.961 1.636 8.779 1.00 95.21 113 A 1 ATOM 911 N N . LEU A 1 114 ? -10.534 -0.561 12.257 1.00 97.63 114 A 1 ATOM 912 C CA . LEU A 1 114 ? -11.424 -0.419 13.416 1.00 97.46 114 A 1 ATOM 913 C C . LEU A 1 114 ? -10.779 -0.945 14.707 1.00 97.45 114 A 1 ATOM 914 O O . LEU A 1 114 ? -10.813 -0.271 15.738 1.00 97.04 114 A 1 ATOM 915 C CB . LEU A 1 114 ? -12.748 -1.152 13.129 1.00 97.26 114 A 1 ATOM 916 C CG . LEU A 1 114 ? -13.647 -0.465 12.083 1.00 95.43 114 A 1 ATOM 917 C CD1 . LEU A 1 114 ? -14.809 -1.394 11.724 1.00 92.89 114 A 1 ATOM 918 C CD2 . LEU A 1 114 ? -14.233 0.843 12.605 1.00 93.24 114 A 1 ATOM 919 N N . ALA A 1 115 ? -10.098 -2.099 14.657 1.00 97.63 115 A 1 ATOM 920 C CA . ALA A 1 115 ? -9.381 -2.665 15.806 1.00 97.50 115 A 1 ATOM 921 C C . ALA A 1 115 ? -8.153 -1.842 16.249 1.00 97.47 115 A 1 ATOM 922 O O . ALA A 1 115 ? -7.601 -2.076 17.333 1.00 97.00 115 A 1 ATOM 923 C CB . ALA A 1 115 ? -8.979 -4.093 15.449 1.00 97.51 115 A 1 ATOM 924 N N . SER A 1 116 ? -7.711 -0.896 15.417 1.00 97.43 116 A 1 ATOM 925 C CA . SER A 1 116 ? -6.641 0.049 15.732 1.00 97.18 116 A 1 ATOM 926 C C . SER A 1 116 ? -7.131 1.360 16.369 1.00 97.24 116 A 1 ATOM 927 O O . SER A 1 116 ? -6.297 2.154 16.813 1.00 96.64 116 A 1 ATOM 928 C CB . SER A 1 116 ? -5.783 0.297 14.487 1.00 97.02 116 A 1 ATOM 929 O OG . SER A 1 116 ? -6.354 1.272 13.641 1.00 95.99 116 A 1 ATOM 930 N N . LYS A 1 117 ? -8.465 1.598 16.476 1.00 96.70 117 A 1 ATOM 931 C CA . LYS A 1 117 ? -9.025 2.805 17.106 1.00 96.31 117 A 1 ATOM 932 C C . LYS A 1 117 ? -8.503 2.977 18.536 1.00 96.45 117 A 1 ATOM 933 O O . LYS A 1 117 ? -8.348 2.016 19.293 1.00 95.77 117 A 1 ATOM 934 C CB . LYS A 1 117 ? -10.573 2.817 17.059 1.00 95.88 117 A 1 ATOM 935 C CG . LYS A 1 117 ? -11.097 3.198 15.659 1.00 93.00 117 A 1 ATOM 936 C CD . LYS A 1 117 ? -12.628 3.405 15.590 1.00 89.00 117 A 1 ATOM 937 C CE . LYS A 1 117 ? -12.969 3.965 14.199 1.00 84.54 117 A 1 ATOM 938 N NZ . LYS A 1 117 ? -14.399 4.317 13.967 1.00 75.68 117 A 1 ATOM 939 N N . GLY A 1 118 ? -8.163 4.216 18.885 1.00 95.57 118 A 1 ATOM 940 C CA . GLY A 1 118 ? -7.579 4.578 20.181 1.00 95.40 118 A 1 ATOM 941 C C . GLY A 1 118 ? -6.084 4.250 20.348 1.00 96.19 118 A 1 ATOM 942 O O . GLY A 1 118 ? -5.526 4.517 21.413 1.00 94.48 118 A 1 ATOM 943 N N . LYS A 1 119 ? -5.417 3.690 19.312 1.00 96.34 119 A 1 ATOM 944 C CA . LYS A 1 119 ? -3.970 3.422 19.304 1.00 96.72 119 A 1 ATOM 945 C C . LYS A 1 119 ? -3.227 4.437 18.439 1.00 97.25 119 A 1 ATOM 946 O O . LYS A 1 119 ? -3.738 4.886 17.415 1.00 96.78 119 A 1 ATOM 947 C CB . LYS A 1 119 ? -3.676 1.982 18.847 1.00 96.59 119 A 1 ATOM 948 C CG . LYS A 1 119 ? -4.431 0.934 19.677 1.00 95.49 119 A 1 ATOM 949 C CD . LYS A 1 119 ? -4.095 -0.483 19.205 1.00 93.08 119 A 1 ATOM 950 C CE . LYS A 1 119 ? -4.954 -1.489 19.976 1.00 88.06 119 A 1 ATOM 951 N NZ . LYS A 1 119 ? -4.832 -2.855 19.405 1.00 78.96 119 A 1 ATOM 952 N N . VAL A 1 120 ? -1.994 4.753 18.833 1.00 96.87 120 A 1 ATOM 953 C CA . VAL A 1 120 ? -1.052 5.509 17.997 1.00 97.04 120 A 1 ATOM 954 C C . VAL A 1 120 ? -0.420 4.534 17.002 1.00 97.35 120 A 1 ATOM 955 O O . VAL A 1 120 ? 0.239 3.581 17.417 1.00 96.84 120 A 1 ATOM 956 C CB . VAL A 1 120 ? 0.018 6.209 18.856 1.00 96.61 120 A 1 ATOM 957 C CG1 . VAL A 1 120 ? 1.004 7.002 17.987 1.00 94.72 120 A 1 ATOM 958 C CG2 . VAL A 1 120 ? -0.629 7.190 19.845 1.00 95.03 120 A 1 ATOM 959 N N . LEU A 1 121 ? -0.635 4.744 15.695 1.00 96.67 121 A 1 ATOM 960 C CA . LEU A 1 121 ? -0.031 3.925 14.640 1.00 96.59 121 A 1 ATOM 961 C C . LEU A 1 121 ? 1.434 4.330 14.435 1.00 96.41 121 A 1 ATOM 962 O O . LEU A 1 121 ? 1.743 5.519 14.431 1.00 96.43 121 A 1 ATOM 963 C CB . LEU A 1 121 ? -0.835 4.040 13.331 1.00 97.09 121 A 1 ATOM 964 C CG . LEU A 1 121 ? -2.331 3.683 13.426 1.00 96.69 121 A 1 ATOM 965 C CD1 . LEU A 1 121 ? -2.963 3.716 12.033 1.00 95.99 121 A 1 ATOM 966 C CD2 . LEU A 1 121 ? -2.568 2.298 14.030 1.00 96.02 121 A 1 ATOM 967 N N . LYS A 1 122 ? 2.322 3.345 14.243 1.00 96.72 122 A 1 ATOM 968 C CA . LYS A 1 122 ? 3.748 3.537 13.935 1.00 96.44 122 A 1 ATOM 969 C C . LYS A 1 122 ? 4.214 2.544 12.871 1.00 96.77 122 A 1 ATOM 970 O O . LYS A 1 122 ? 3.665 1.450 12.752 1.00 95.90 122 A 1 ATOM 971 C CB . LYS A 1 122 ? 4.595 3.380 15.211 1.00 94.98 122 A 1 ATOM 972 C CG . LYS A 1 122 ? 4.400 4.547 16.187 1.00 87.77 122 A 1 ATOM 973 C CD . LYS A 1 122 ? 5.408 4.444 17.334 1.00 83.70 122 A 1 ATOM 974 C CE . LYS A 1 122 ? 5.346 5.710 18.187 1.00 74.84 122 A 1 ATOM 975 N NZ . LYS A 1 122 ? 6.271 5.625 19.336 1.00 66.56 122 A 1 ATOM 976 N N . HIS A 1 123 ? 5.257 2.909 12.124 1.00 94.84 123 A 1 ATOM 977 C CA . HIS A 1 123 ? 5.939 2.037 11.169 1.00 93.83 123 A 1 ATOM 978 C C . HIS A 1 123 ? 7.456 2.275 11.204 1.00 92.80 123 A 1 ATOM 979 O O . HIS A 1 123 ? 8.064 2.781 10.258 1.00 89.76 123 A 1 ATOM 980 C CB . HIS A 1 123 ? 5.336 2.209 9.770 1.00 92.89 123 A 1 ATOM 981 C CG . HIS A 1 123 ? 5.892 1.202 8.794 1.00 91.99 123 A 1 ATOM 982 N ND1 . HIS A 1 123 ? 5.943 -0.160 8.991 1.00 84.07 123 A 1 ATOM 983 C CD2 . HIS A 1 123 ? 6.469 1.452 7.577 1.00 84.24 123 A 1 ATOM 984 C CE1 . HIS A 1 123 ? 6.533 -0.712 7.919 1.00 85.68 123 A 1 ATOM 985 N NE2 . HIS A 1 123 ? 6.868 0.232 7.030 1.00 86.29 123 A 1 ATOM 986 N N . SER A 1 124 ? 8.100 1.901 12.303 1.00 93.74 124 A 1 ATOM 987 C CA . SER A 1 124 ? 9.504 2.221 12.613 1.00 92.09 124 A 1 ATOM 988 C C . SER A 1 124 ? 10.523 1.738 11.574 1.00 91.04 124 A 1 ATOM 989 O O . SER A 1 124 ? 11.601 2.312 11.462 1.00 87.42 124 A 1 ATOM 990 C CB . SER A 1 124 ? 9.868 1.653 13.983 1.00 90.31 124 A 1 ATOM 991 O OG . SER A 1 124 ? 9.743 0.243 14.001 1.00 84.84 124 A 1 ATOM 992 N N . MET A 1 125 ? 10.198 0.731 10.752 1.00 89.32 125 A 1 ATOM 993 C CA . MET A 1 125 ? 11.053 0.264 9.648 1.00 87.40 125 A 1 ATOM 994 C C . MET A 1 125 ? 11.316 1.329 8.573 1.00 86.87 125 A 1 ATOM 995 O O . MET A 1 125 ? 12.327 1.248 7.880 1.00 82.49 125 A 1 ATOM 996 C CB . MET A 1 125 ? 10.403 -0.956 8.977 1.00 84.91 125 A 1 ATOM 997 C CG . MET A 1 125 ? 10.439 -2.221 9.836 1.00 76.59 125 A 1 ATOM 998 S SD . MET A 1 125 ? 12.070 -2.935 10.195 1.00 71.55 125 A 1 ATOM 999 C CE . MET A 1 125 ? 12.758 -3.140 8.536 1.00 61.48 125 A 1 ATOM 1000 N N . ALA A 1 126 ? 10.412 2.288 8.414 1.00 86.98 126 A 1 ATOM 1001 C CA . ALA A 1 126 ? 10.537 3.406 7.481 1.00 85.17 126 A 1 ATOM 1002 C C . ALA A 1 126 ? 10.893 4.729 8.184 1.00 86.12 126 A 1 ATOM 1003 O O . ALA A 1 126 ? 10.928 5.777 7.539 1.00 83.31 126 A 1 ATOM 1004 C CB . ALA A 1 126 ? 9.243 3.504 6.662 1.00 82.44 126 A 1 ATOM 1005 N N . SER A 1 127 ? 11.151 4.705 9.496 1.00 86.47 127 A 1 ATOM 1006 C CA . SER A 1 127 ? 11.494 5.893 10.271 1.00 85.39 127 A 1 ATOM 1007 C C . SER A 1 127 ? 12.805 6.504 9.774 1.00 85.24 127 A 1 ATOM 1008 O O . SER A 1 127 ? 13.793 5.806 9.552 1.00 80.31 127 A 1 ATOM 1009 C CB . SER A 1 127 ? 11.583 5.564 11.761 1.00 82.31 127 A 1 ATOM 1010 O OG . SER A 1 127 ? 11.567 6.755 12.513 1.00 72.16 127 A 1 ATOM 1011 N N . GLY A 1 128 ? 12.803 7.820 9.562 1.00 87.73 128 A 1 ATOM 1012 C CA . GLY A 1 128 ? 13.954 8.566 9.044 1.00 87.53 128 A 1 ATOM 1013 C C . GLY A 1 128 ? 14.137 8.513 7.523 1.00 89.01 128 A 1 ATOM 1014 O O . GLY A 1 128 ? 14.983 9.246 7.012 1.00 85.49 128 A 1 ATOM 1015 N N . LEU A 1 129 ? 13.351 7.713 6.786 1.00 87.95 129 A 1 ATOM 1016 C CA . LEU A 1 129 ? 13.344 7.753 5.324 1.00 89.02 129 A 1 ATOM 1017 C C . LEU A 1 129 ? 12.565 8.974 4.819 1.00 90.28 129 A 1 ATOM 1018 O O . LEU A 1 129 ? 11.439 9.248 5.242 1.00 89.57 129 A 1 ATOM 1019 C CB . LEU A 1 129 ? 12.776 6.458 4.723 1.00 87.76 129 A 1 ATOM 1020 C CG . LEU A 1 129 ? 13.553 5.177 5.070 1.00 86.39 129 A 1 ATOM 1021 C CD1 . LEU A 1 129 ? 12.906 3.988 4.358 1.00 84.17 129 A 1 ATOM 1022 C CD2 . LEU A 1 129 ? 15.020 5.234 4.647 1.00 83.63 129 A 1 ATOM 1023 N N . THR A 1 130 ? 13.173 9.680 3.862 1.00 89.21 130 A 1 ATOM 1024 C CA . THR A 1 130 ? 12.595 10.854 3.205 1.00 89.06 130 A 1 ATOM 1025 C C . THR A 1 130 ? 11.838 10.458 1.934 1.00 89.19 130 A 1 ATOM 1026 O O . THR A 1 130 ? 11.838 9.302 1.496 1.00 88.37 130 A 1 ATOM 1027 C CB . THR A 1 130 ? 13.684 11.889 2.891 1.00 88.58 130 A 1 ATOM 1028 O OG1 . THR A 1 130 ? 14.486 11.415 1.840 1.00 86.56 130 A 1 ATOM 1029 C CG2 . THR A 1 130 ? 14.565 12.247 4.085 1.00 85.77 130 A 1 ATOM 1030 N N . LYS A 1 131 ? 11.196 11.445 1.294 1.00 88.69 131 A 1 ATOM 1031 C CA . LYS A 1 131 ? 10.552 11.266 -0.019 1.00 88.70 131 A 1 ATOM 1032 C C . LYS A 1 131 ? 11.534 10.886 -1.136 1.00 88.01 131 A 1 ATOM 1033 O O . LYS A 1 131 ? 11.097 10.344 -2.147 1.00 86.21 131 A 1 ATOM 1034 C CB . LYS A 1 131 ? 9.784 12.539 -0.402 1.00 89.57 131 A 1 ATOM 1035 C CG . LYS A 1 131 ? 8.589 12.792 0.527 1.00 90.26 131 A 1 ATOM 1036 C CD . LYS A 1 131 ? 7.784 13.999 0.043 1.00 88.44 131 A 1 ATOM 1037 C CE . LYS A 1 131 ? 6.575 14.202 0.959 1.00 86.59 131 A 1 ATOM 1038 N NZ . LYS A 1 131 ? 5.731 15.324 0.492 1.00 81.16 131 A 1 ATOM 1039 N N . ASP A 1 132 ? 12.841 11.150 -0.948 1.00 87.85 132 A 1 ATOM 1040 C CA . ASP A 1 132 ? 13.900 10.776 -1.896 1.00 86.59 132 A 1 ATOM 1041 C C . ASP A 1 132 ? 14.324 9.307 -1.724 1.00 86.06 132 A 1 ATOM 1042 O O . ASP A 1 132 ? 14.828 8.670 -2.650 1.00 84.01 132 A 1 ATOM 1043 C CB . ASP A 1 132 ? 15.098 11.725 -1.718 1.00 86.08 132 A 1 ATOM 1044 C CG . ASP A 1 132 ? 14.716 13.207 -1.851 1.00 84.65 132 A 1 ATOM 1045 O OD1 . ASP A 1 132 ? 13.736 13.496 -2.565 1.00 81.56 132 A 1 ATOM 1046 O OD2 . ASP A 1 132 ? 15.361 14.039 -1.182 1.00 81.44 132 A 1 ATOM 1047 N N . ASP A 1 133 ? 14.075 8.732 -0.539 1.00 87.41 133 A 1 ATOM 1048 C CA . ASP A 1 133 ? 14.463 7.358 -0.203 1.00 86.91 133 A 1 ATOM 1049 C C . ASP A 1 133 ? 13.378 6.334 -0.535 1.00 87.09 133 A 1 ATOM 1050 O O . ASP A 1 133 ? 13.687 5.183 -0.876 1.00 85.55 133 A 1 ATOM 1051 C CB . ASP A 1 133 ? 14.792 7.283 1.291 1.00 86.20 133 A 1 ATOM 1052 C CG . ASP A 1 133 ? 15.913 8.241 1.661 1.00 85.04 133 A 1 ATOM 1053 O OD1 . ASP A 1 133 ? 17.016 8.068 1.096 1.00 83.21 133 A 1 ATOM 1054 O OD2 . ASP A 1 133 ? 15.628 9.140 2.487 1.00 82.88 133 A 1 ATOM 1055 N N . THR A 1 134 ? 12.102 6.726 -0.435 1.00 88.69 134 A 1 ATOM 1056 C CA . THR A 1 134 ? 10.959 5.815 -0.538 1.00 89.46 134 A 1 ATOM 1057 C C . THR A 1 134 ? 9.779 6.405 -1.309 1.00 90.04 134 A 1 ATOM 1058 O O . THR A 1 134 ? 9.529 7.608 -1.330 1.00 89.52 134 A 1 ATOM 1059 C CB . THR A 1 134 ? 10.532 5.324 0.854 1.00 89.33 134 A 1 ATOM 1060 O OG1 . THR A 1 134 ? 9.522 4.354 0.701 1.00 85.77 134 A 1 ATOM 1061 C CG2 . THR A 1 134 ? 9.996 6.413 1.776 1.00 86.17 134 A 1 ATOM 1062 N N . ILE A 1 135 ? 9.004 5.508 -1.946 1.00 91.38 135 A 1 ATOM 1063 C CA . ILE A 1 135 ? 7.778 5.877 -2.653 1.00 92.40 135 A 1 ATOM 1064 C C . ILE A 1 135 ? 6.645 6.304 -1.708 1.00 93.25 135 A 1 ATOM 1065 O O . ILE A 1 135 ? 5.730 6.996 -2.143 1.00 92.77 135 A 1 ATOM 1066 C CB . ILE A 1 135 ? 7.345 4.725 -3.584 1.00 91.81 135 A 1 ATOM 1067 C CG1 . ILE A 1 135 ? 6.264 5.220 -4.568 1.00 87.28 135 A 1 ATOM 1068 C CG2 . ILE A 1 135 ? 6.874 3.482 -2.798 1.00 86.99 135 A 1 ATOM 1069 C CD1 . ILE A 1 135 ? 5.987 4.262 -5.719 1.00 84.97 135 A 1 ATOM 1070 N N . LEU A 1 136 ? 6.693 5.907 -0.431 1.00 92.80 136 A 1 ATOM 1071 C CA . LEU A 1 136 ? 5.738 6.313 0.595 1.00 93.63 136 A 1 ATOM 1072 C C . LEU A 1 136 ? 6.490 6.389 1.926 1.00 93.50 136 A 1 ATOM 1073 O O . LEU A 1 136 ? 7.058 5.391 2.362 1.00 92.40 136 A 1 ATOM 1074 C CB . LEU A 1 136 ? 4.581 5.295 0.631 1.00 94.42 136 A 1 ATOM 1075 C CG . LEU A 1 136 ? 3.364 5.762 1.447 1.00 94.16 136 A 1 ATOM 1076 C CD1 . LEU A 1 136 ? 2.578 6.847 0.711 1.00 92.71 136 A 1 ATOM 1077 C CD2 . LEU A 1 136 ? 2.427 4.579 1.689 1.00 93.22 136 A 1 ATOM 1078 N N . THR A 1 137 ? 6.548 7.571 2.542 1.00 93.64 137 A 1 ATOM 1079 C CA . THR A 1 137 ? 7.211 7.768 3.841 1.00 94.22 137 A 1 ATOM 1080 C C . THR A 1 137 ? 6.361 7.208 4.979 1.00 95.10 137 A 1 ATOM 1081 O O . THR A 1 137 ? 5.161 6.983 4.815 1.00 95.35 137 A 1 ATOM 1082 C CB . THR A 1 137 ? 7.532 9.244 4.112 1.00 93.97 137 A 1 ATOM 1083 O OG1 . THR A 1 137 ? 6.357 10.012 4.176 1.00 92.53 137 A 1 ATOM 1084 C CG2 . THR A 1 137 ? 8.428 9.855 3.037 1.00 91.91 137 A 1 ATOM 1085 N N . GLU A 1 138 ? 6.972 7.022 6.157 1.00 93.27 138 A 1 ATOM 1086 C CA . GLU A 1 138 ? 6.227 6.647 7.367 1.00 94.25 138 A 1 ATOM 1087 C C . GLU A 1 138 ? 5.076 7.624 7.636 1.00 95.26 138 A 1 ATOM 1088 O O . GLU A 1 138 ? 3.944 7.189 7.826 1.00 95.44 138 A 1 ATOM 1089 C CB . GLU A 1 138 ? 7.180 6.582 8.573 1.00 92.88 138 A 1 ATOM 1090 C CG . GLU A 1 138 ? 6.438 6.221 9.876 1.00 87.31 138 A 1 ATOM 1091 C CD . GLU A 1 138 ? 7.356 6.047 11.096 1.00 83.28 138 A 1 ATOM 1092 O OE1 . GLU A 1 138 ? 6.874 5.462 12.095 1.00 75.42 138 A 1 ATOM 1093 O OE2 . GLU A 1 138 ? 8.535 6.464 11.041 1.00 78.18 138 A 1 ATOM 1094 N N . ALA A 1 139 ? 5.343 8.925 7.577 1.00 94.95 139 A 1 ATOM 1095 C CA . ALA A 1 139 ? 4.327 9.945 7.814 1.00 95.22 139 A 1 ATOM 1096 C C . ALA A 1 139 ? 3.157 9.827 6.824 1.00 96.07 139 A 1 ATOM 1097 O O . ALA A 1 139 ? 2.011 9.740 7.243 1.00 95.98 139 A 1 ATOM 1098 C CB . ALA A 1 139 ? 4.986 11.327 7.753 1.00 94.58 139 A 1 ATOM 1099 N N . GLU A 1 140 ? 3.438 9.730 5.517 1.00 95.70 140 A 1 ATOM 1100 C CA . GLU A 1 140 ? 2.396 9.574 4.489 1.00 96.04 140 A 1 ATOM 1101 C C . GLU A 1 140 ? 1.581 8.284 4.673 1.00 96.98 140 A 1 ATOM 1102 O O . GLU A 1 140 ? 0.363 8.282 4.481 1.00 96.94 140 A 1 ATOM 1103 C CB . GLU A 1 140 ? 3.054 9.572 3.098 1.00 95.66 140 A 1 ATOM 1104 C CG . GLU A 1 140 ? 3.560 10.958 2.662 1.00 94.53 140 A 1 ATOM 1105 C CD . GLU A 1 140 ? 4.482 10.873 1.432 1.00 94.65 140 A 1 ATOM 1106 O OE1 . GLU A 1 140 ? 4.417 11.737 0.527 1.00 91.12 140 A 1 ATOM 1107 O OE2 . GLU A 1 140 ? 5.325 9.955 1.365 1.00 91.65 140 A 1 ATOM 1108 N N . PHE A 1 141 ? 2.243 7.186 5.062 1.00 96.25 141 A 1 ATOM 1109 C CA . PHE A 1 141 ? 1.597 5.901 5.326 1.00 97.01 141 A 1 ATOM 1110 C C . PHE A 1 141 ? 0.691 5.951 6.562 1.00 97.56 141 A 1 ATOM 1111 O O . PHE A 1 141 ? -0.456 5.509 6.512 1.00 97.70 141 A 1 ATOM 1112 C CB . PHE A 1 141 ? 2.683 4.829 5.477 1.00 97.04 141 A 1 ATOM 1113 C CG . PHE A 1 141 ? 2.164 3.458 5.864 1.00 97.21 141 A 1 ATOM 1114 C CD1 . PHE A 1 141 ? 2.741 2.763 6.944 1.00 96.31 141 A 1 ATOM 1115 C CD2 . PHE A 1 141 ? 1.116 2.869 5.139 1.00 96.48 141 A 1 ATOM 1116 C CE1 . PHE A 1 141 ? 2.284 1.476 7.276 1.00 95.97 141 A 1 ATOM 1117 C CE2 . PHE A 1 141 ? 0.654 1.587 5.478 1.00 95.84 141 A 1 ATOM 1118 C CZ . PHE A 1 141 ? 1.241 0.887 6.541 1.00 96.38 141 A 1 ATOM 1119 N N . ILE A 1 142 ? 1.186 6.507 7.666 1.00 97.28 142 A 1 ATOM 1120 C CA . ILE A 1 142 ? 0.410 6.633 8.903 1.00 97.41 142 A 1 ATOM 1121 C C . ILE A 1 142 ? -0.751 7.624 8.731 1.00 97.69 142 A 1 ATOM 1122 O O . ILE A 1 142 ? -1.857 7.341 9.189 1.00 97.76 142 A 1 ATOM 1123 C CB . ILE A 1 142 ? 1.342 6.995 10.079 1.00 97.23 142 A 1 ATOM 1124 C CG1 . ILE A 1 142 ? 2.362 5.874 10.398 1.00 95.89 142 A 1 ATOM 1125 C CG2 . ILE A 1 142 ? 0.539 7.346 11.345 1.00 96.19 142 A 1 ATOM 1126 C CD1 . ILE A 1 142 ? 1.781 4.474 10.640 1.00 91.29 142 A 1 ATOM 1127 N N . ASP A 1 143 ? -0.528 8.736 8.026 1.00 96.76 143 A 1 ATOM 1128 C CA . ASP A 1 143 ? -1.564 9.739 7.770 1.00 96.65 143 A 1 ATOM 1129 C C . ASP A 1 143 ? -2.737 9.157 6.976 1.00 97.36 143 A 1 ATOM 1130 O O . ASP A 1 143 ? -3.892 9.357 7.354 1.00 97.44 143 A 1 ATOM 1131 C CB . ASP A 1 143 ? -0.971 10.944 7.022 1.00 95.91 143 A 1 ATOM 1132 C CG . ASP A 1 143 ? -0.125 11.883 7.890 1.00 90.20 143 A 1 ATOM 1133 O OD1 . ASP A 1 143 ? -0.173 11.752 9.138 1.00 86.03 143 A 1 ATOM 1134 O OD2 . ASP A 1 143 ? 0.508 12.780 7.285 1.00 84.89 143 A 1 ATOM 1135 N N . VAL A 1 144 ? -2.467 8.376 5.907 1.00 97.17 144 A 1 ATOM 1136 C CA . VAL A 1 144 ? -3.553 7.771 5.119 1.00 97.47 144 A 1 ATOM 1137 C C . VAL A 1 144 ? -4.309 6.700 5.911 1.00 97.68 144 A 1 ATOM 1138 O O . VAL A 1 144 ? -5.533 6.617 5.817 1.00 97.67 144 A 1 ATOM 1139 C CB . VAL A 1 144 ? -3.061 7.267 3.744 1.00 97.31 144 A 1 ATOM 1140 C CG1 . VAL A 1 144 ? -2.172 6.030 3.804 1.00 93.30 144 A 1 ATOM 1141 C CG2 . VAL A 1 144 ? -4.244 6.973 2.817 1.00 93.05 144 A 1 ATOM 1142 N N . LEU A 1 145 ? -3.624 5.908 6.756 1.00 97.75 145 A 1 ATOM 1143 C CA . LEU A 1 145 ? -4.294 4.939 7.626 1.00 97.75 145 A 1 ATOM 1144 C C . LEU A 1 145 ? -5.151 5.615 8.702 1.00 97.65 145 A 1 ATOM 1145 O O . LEU A 1 145 ? -6.253 5.139 8.977 1.00 97.62 145 A 1 ATOM 1146 C CB . LEU A 1 145 ? -3.264 4.015 8.285 1.00 97.91 145 A 1 ATOM 1147 C CG . LEU A 1 145 ? -2.561 3.025 7.340 1.00 97.10 145 A 1 ATOM 1148 C CD1 . LEU A 1 145 ? -1.598 2.188 8.178 1.00 96.26 145 A 1 ATOM 1149 C CD2 . LEU A 1 145 ? -3.524 2.066 6.642 1.00 96.19 145 A 1 ATOM 1150 N N . ASN A 1 146 ? -4.674 6.712 9.304 1.00 97.79 146 A 1 ATOM 1151 C CA . ASN A 1 146 ? -5.462 7.506 10.245 1.00 97.42 146 A 1 ATOM 1152 C C . ASN A 1 146 ? -6.690 8.114 9.560 1.00 97.31 146 A 1 ATOM 1153 O O . ASN A 1 146 ? -7.796 7.951 10.072 1.00 96.81 146 A 1 ATOM 1154 C CB . ASN A 1 146 ? -4.583 8.595 10.879 1.00 97.16 146 A 1 ATOM 1155 C CG . ASN A 1 146 ? -3.617 8.073 11.924 1.00 96.31 146 A 1 ATOM 1156 O OD1 . ASN A 1 146 ? -3.896 7.166 12.700 1.00 91.59 146 A 1 ATOM 1157 N ND2 . ASN A 1 146 ? -2.458 8.674 12.034 1.00 91.27 146 A 1 ATOM 1158 N N . LEU A 1 147 ? -6.518 8.711 8.375 1.00 97.19 147 A 1 ATOM 1159 C CA . LEU A 1 147 ? -7.617 9.266 7.585 1.00 96.85 147 A 1 ATOM 1160 C C . LEU A 1 147 ? -8.698 8.216 7.303 1.00 96.80 147 A 1 ATOM 1161 O O . LEU A 1 147 ? -9.881 8.467 7.527 1.00 96.09 147 A 1 ATOM 1162 C CB . LEU A 1 147 ? -7.036 9.838 6.278 1.00 96.89 147 A 1 ATOM 1163 C CG . LEU A 1 147 ? -8.086 10.421 5.312 1.00 93.98 147 A 1 ATOM 1164 C CD1 . LEU A 1 147 ? -8.781 11.649 5.905 1.00 90.78 147 A 1 ATOM 1165 C CD2 . LEU A 1 147 ? -7.409 10.827 4.005 1.00 91.83 147 A 1 ATOM 1166 N N . LEU A 1 148 ? -8.299 7.012 6.857 1.00 96.99 148 A 1 ATOM 1167 C CA . LEU A 1 148 ? -9.223 5.896 6.638 1.00 96.41 148 A 1 ATOM 1168 C C . LEU A 1 148 ? -9.919 5.470 7.927 1.00 96.53 148 A 1 ATOM 1169 O O . LEU A 1 148 ? -11.135 5.322 7.952 1.00 95.65 148 A 1 ATOM 1170 C CB . LEU A 1 148 ? -8.453 4.701 6.065 1.00 95.39 148 A 1 ATOM 1171 C CG . LEU A 1 148 ? -8.053 4.850 4.596 1.00 91.28 148 A 1 ATOM 1172 C CD1 . LEU A 1 148 ? -7.119 3.697 4.230 1.00 85.42 148 A 1 ATOM 1173 C CD2 . LEU A 1 148 ? -9.272 4.787 3.685 1.00 85.81 148 A 1 ATOM 1174 N N . ARG A 1 149 ? -9.155 5.266 9.002 1.00 96.80 149 A 1 ATOM 1175 C CA . ARG A 1 149 ? -9.678 4.824 10.304 1.00 96.42 149 A 1 ATOM 1176 C C . ARG A 1 149 ? -10.716 5.790 10.867 1.00 96.04 149 A 1 ATOM 1177 O O . ARG A 1 149 ? -11.718 5.343 11.421 1.00 95.26 149 A 1 ATOM 1178 C CB . ARG A 1 149 ? -8.497 4.662 11.262 1.00 95.16 149 A 1 ATOM 1179 C CG . ARG A 1 149 ? -8.948 4.168 12.642 1.00 94.06 149 A 1 ATOM 1180 C CD . ARG A 1 149 ? -7.772 4.140 13.612 1.00 94.09 149 A 1 ATOM 1181 N NE . ARG A 1 149 ? -7.297 5.500 13.908 1.00 92.42 149 A 1 ATOM 1182 C CZ . ARG A 1 149 ? -6.182 5.811 14.543 1.00 93.84 149 A 1 ATOM 1183 N NH1 . ARG A 1 149 ? -5.387 4.897 15.031 1.00 87.96 149 A 1 ATOM 1184 N NH2 . ARG A 1 149 ? -5.852 7.061 14.686 1.00 86.98 149 A 1 ATOM 1185 N N . ASP A 1 150 ? -10.469 7.090 10.721 1.00 95.51 150 A 1 ATOM 1186 C CA . ASP A 1 150 ? -11.328 8.147 11.255 1.00 94.26 150 A 1 ATOM 1187 C C . ASP A 1 150 ? -12.592 8.357 10.395 1.00 94.31 150 A 1 ATOM 1188 O O . ASP A 1 150 ? -13.566 8.933 10.870 1.00 92.72 150 A 1 ATOM 1189 C CB . ASP A 1 150 ? -10.493 9.428 11.440 1.00 92.92 150 A 1 ATOM 1190 C CG . ASP A 1 150 ? -9.324 9.292 12.448 1.00 90.22 150 A 1 ATOM 1191 O OD1 . ASP A 1 150 ? -9.234 8.277 13.197 1.00 87.15 150 A 1 ATOM 1192 O OD2 . ASP A 1 150 ? -8.481 10.217 12.485 1.00 86.94 150 A 1 ATOM 1193 N N . SER A 1 151 ? -12.604 7.828 9.157 1.00 94.79 151 A 1 ATOM 1194 C CA . SER A 1 151 ? -13.774 7.816 8.264 1.00 93.81 151 A 1 ATOM 1195 C C . SER A 1 151 ? -14.713 6.610 8.450 1.00 93.77 151 A 1 ATOM 1196 O O . SER A 1 151 ? -15.792 6.589 7.856 1.00 90.95 151 A 1 ATOM 1197 C CB . SER A 1 151 ? -13.313 7.929 6.804 1.00 92.95 151 A 1 ATOM 1198 O OG . SER A 1 151 ? -12.748 6.727 6.313 1.00 85.71 151 A 1 ATOM 1199 N N . LEU A 1 152 ? -14.310 5.612 9.264 1.00 95.16 152 A 1 ATOM 1200 C CA . LEU A 1 152 ? -15.069 4.380 9.574 1.00 94.04 152 A 1 ATOM 1201 C C . LEU A 1 152 ? -15.769 4.440 10.955 1.00 91.44 152 A 1 ATOM 1202 O O . LEU A 1 152 ? -16.885 3.907 11.059 1.00 86.75 152 A 1 ATOM 1203 C CB . LEU A 1 152 ? -14.110 3.175 9.555 1.00 92.98 152 A 1 ATOM 1204 C CG . LEU A 1 152 ? -13.487 2.809 8.196 1.00 92.04 152 A 1 ATOM 1205 C CD1 . LEU A 1 152 ? -12.421 1.722 8.423 1.00 90.56 152 A 1 ATOM 1206 C CD2 . LEU A 1 152 ? -14.531 2.267 7.231 1.00 90.88 152 A 1 ATOM 1207 O OXT . LEU A 1 152 ? -15.182 4.977 11.878 1.00 87.54 152 A 1 #