# 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_acrif12 # _entry.id acrif12 # 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 ALA 2 1 n TYR 3 1 n GLU 4 1 n LYS 5 1 n THR 6 1 n TRP 7 1 n HIS 8 1 n ARG 9 1 n ASP 10 1 n TYR 11 1 n ALA 12 1 n ALA 13 1 n GLU 14 1 n SER 15 1 n LEU 16 1 n LYS 17 1 n ARG 18 1 n ALA 19 1 n GLU 20 1 n THR 21 1 n SER 22 1 n ARG 23 1 n TRP 24 1 n THR 25 1 n GLN 26 1 n ASP 27 1 n ALA 28 1 n ASN 29 1 n LEU 30 1 n GLU 31 1 n TRP 32 1 n THR 33 1 n GLN 34 1 n LEU 35 1 n ALA 36 1 n LEU 37 1 n GLU 38 1 n CYS 39 1 n ALA 40 1 n GLN 41 1 n VAL 42 1 n VAL 43 1 n HIS 44 1 n LEU 45 1 n ALA 46 1 n ARG 47 1 n GLN 48 1 n VAL 49 1 n GLY 50 1 n GLU 51 1 n GLU 52 1 n LEU 53 1 n GLY 54 1 n ASN 55 1 n GLU 56 1 n LYS 57 1 n ILE 58 1 n ILE 59 1 n GLY 60 1 n ILE 61 1 n ALA 62 1 n ASP 63 1 n THR 64 1 n VAL 65 1 n LEU 66 1 n SER 67 1 n THR 68 1 n ILE 69 1 n GLU 70 1 n ALA 71 1 n HIS 72 1 n SER 73 1 n GLN 74 1 n ALA 75 1 n THR 76 1 n TYR 77 1 n ARG 78 1 n ARG 79 1 n PRO 80 1 n CYS 81 1 n TYR 82 1 n LYS 83 1 n ARG 84 1 n ILE 85 1 n THR 86 1 n THR 87 1 n ALA 88 1 n GLN 89 1 n THR 90 1 n HIS 91 1 n LEU 92 1 n LEU 93 1 n ALA 94 1 n VAL 95 1 n THR 96 1 n LEU 97 1 n LEU 98 1 n GLU 99 1 n ARG 100 1 n PHE 101 1 n GLY 102 1 n SER 103 1 n ALA 104 1 n ARG 105 1 n ARG 106 1 n VAL 107 1 n ALA 108 1 n ASN 109 1 n ALA 110 1 n VAL 111 1 n TRP 112 1 n GLN 113 1 n LEU 114 1 n THR 115 1 n ASP 116 1 n ASP 117 1 n GLU 118 1 n ILE 119 1 n ASP 120 1 n GLN 121 1 n ALA 122 1 n LYS 123 1 n ALA 124 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-06 19:41:16)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 92.64 _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 61.96 1 1 A ALA 2 2 79.15 1 2 A TYR 3 2 93.33 1 3 A GLU 4 2 88.28 1 4 A LYS 5 2 88.53 1 5 A THR 6 2 94.70 1 6 A TRP 7 2 95.79 1 7 A HIS 8 2 89.35 1 8 A ARG 9 2 88.13 1 9 A ASP 10 2 93.09 1 10 A TYR 11 2 92.99 1 11 A ALA 12 2 97.81 1 12 A ALA 13 2 98.05 1 13 A GLU 14 2 91.40 1 14 A SER 15 2 95.97 1 15 A LEU 16 2 96.07 1 16 A LYS 17 2 91.86 1 17 A ARG 18 2 83.28 1 18 A ALA 19 2 95.78 1 19 A GLU 20 2 94.42 1 20 A THR 21 2 91.98 1 21 A SER 22 2 90.69 1 22 A ARG 23 2 75.28 1 23 A TRP 24 2 77.96 1 24 A THR 25 2 84.55 1 25 A GLN 26 2 81.84 1 26 A ASP 27 2 94.40 1 27 A ALA 28 2 96.71 1 28 A ASN 29 2 96.43 1 29 A LEU 30 2 97.00 1 30 A GLU 31 2 88.74 1 31 A TRP 32 2 97.88 1 32 A THR 33 2 98.26 1 33 A GLN 34 2 93.27 1 34 A LEU 35 2 92.01 1 35 A ALA 36 2 98.18 1 36 A LEU 37 2 98.36 1 37 A GLU 38 2 93.61 1 38 A CYS 39 2 98.13 1 39 A ALA 40 2 98.46 1 40 A GLN 41 2 96.30 1 41 A VAL 42 2 98.65 1 42 A VAL 43 2 98.69 1 43 A HIS 44 2 93.72 1 44 A LEU 45 2 98.67 1 45 A ALA 46 2 98.87 1 46 A ARG 47 2 95.98 1 47 A GLN 48 2 90.47 1 48 A VAL 49 2 98.60 1 49 A GLY 50 2 98.76 1 50 A GLU 51 2 95.71 1 51 A GLU 52 2 91.32 1 52 A LEU 53 2 96.64 1 53 A GLY 54 2 98.28 1 54 A ASN 55 2 97.66 1 55 A GLU 56 2 88.29 1 56 A LYS 57 2 91.61 1 57 A ILE 58 2 97.40 1 58 A ILE 59 2 98.51 1 59 A GLY 60 2 98.80 1 60 A ILE 61 2 97.43 1 61 A ALA 62 2 98.87 1 62 A ASP 63 2 97.98 1 63 A THR 64 2 97.63 1 64 A VAL 65 2 98.47 1 65 A LEU 66 2 98.19 1 66 A SER 67 2 94.62 1 67 A THR 68 2 97.32 1 68 A ILE 69 2 97.55 1 69 A GLU 70 2 88.16 1 70 A ALA 71 2 96.22 1 71 A HIS 72 2 93.35 1 72 A SER 73 2 93.14 1 73 A GLN 74 2 88.99 1 74 A ALA 75 2 94.16 1 75 A THR 76 2 93.69 1 76 A TYR 77 2 86.61 1 77 A ARG 78 2 80.33 1 78 A ARG 79 2 78.54 1 79 A PRO 80 2 93.61 1 80 A CYS 81 2 94.18 1 81 A TYR 82 2 87.43 1 82 A LYS 83 2 87.10 1 83 A ARG 84 2 78.79 1 84 A ILE 85 2 96.91 1 85 A THR 86 2 96.77 1 86 A THR 87 2 93.43 1 87 A ALA 88 2 97.99 1 88 A GLN 89 2 97.22 1 89 A THR 90 2 97.35 1 90 A HIS 91 2 94.32 1 91 A LEU 92 2 91.97 1 92 A LEU 93 2 98.68 1 93 A ALA 94 2 98.79 1 94 A VAL 95 2 97.95 1 95 A THR 96 2 97.88 1 96 A LEU 97 2 98.73 1 97 A LEU 98 2 98.29 1 98 A GLU 99 2 90.27 1 99 A ARG 100 2 87.74 1 100 A PHE 101 2 98.25 1 101 A GLY 102 2 97.56 1 102 A SER 103 2 98.27 1 103 A ALA 104 2 98.59 1 104 A ARG 105 2 97.11 1 105 A ARG 106 2 83.70 1 106 A VAL 107 2 98.64 1 107 A ALA 108 2 98.64 1 108 A ASN 109 2 95.29 1 109 A ALA 110 2 98.56 1 110 A VAL 111 2 98.22 1 111 A TRP 112 2 97.81 1 112 A GLN 113 2 89.22 1 113 A LEU 114 2 96.84 1 114 A THR 115 2 96.21 1 115 A ASP 116 2 94.91 1 116 A ASP 117 2 92.66 1 117 A GLU 118 2 93.11 1 118 A ILE 119 2 96.51 1 119 A ASP 120 2 94.74 1 120 A GLN 121 2 87.60 1 121 A ALA 122 2 93.09 1 122 A LYS 123 2 76.69 1 123 A ALA 124 2 75.23 1 124 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n ALA . 2 A 2 A 3 1 n TYR . 3 A 3 A 4 1 n GLU . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n TRP . 7 A 7 A 8 1 n HIS . 8 A 8 A 9 1 n ARG . 9 A 9 A 10 1 n ASP . 10 A 10 A 11 1 n TYR . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n GLU . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LYS . 17 A 17 A 18 1 n ARG . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n GLU . 20 A 20 A 21 1 n THR . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n ARG . 23 A 23 A 24 1 n TRP . 24 A 24 A 25 1 n THR . 25 A 25 A 26 1 n GLN . 26 A 26 A 27 1 n ASP . 27 A 27 A 28 1 n ALA . 28 A 28 A 29 1 n ASN . 29 A 29 A 30 1 n LEU . 30 A 30 A 31 1 n GLU . 31 A 31 A 32 1 n TRP . 32 A 32 A 33 1 n THR . 33 A 33 A 34 1 n GLN . 34 A 34 A 35 1 n LEU . 35 A 35 A 36 1 n ALA . 36 A 36 A 37 1 n LEU . 37 A 37 A 38 1 n GLU . 38 A 38 A 39 1 n CYS . 39 A 39 A 40 1 n ALA . 40 A 40 A 41 1 n GLN . 41 A 41 A 42 1 n VAL . 42 A 42 A 43 1 n VAL . 43 A 43 A 44 1 n HIS . 44 A 44 A 45 1 n LEU . 45 A 45 A 46 1 n ALA . 46 A 46 A 47 1 n ARG . 47 A 47 A 48 1 n GLN . 48 A 48 A 49 1 n VAL . 49 A 49 A 50 1 n GLY . 50 A 50 A 51 1 n GLU . 51 A 51 A 52 1 n GLU . 52 A 52 A 53 1 n LEU . 53 A 53 A 54 1 n GLY . 54 A 54 A 55 1 n ASN . 55 A 55 A 56 1 n GLU . 56 A 56 A 57 1 n LYS . 57 A 57 A 58 1 n ILE . 58 A 58 A 59 1 n ILE . 59 A 59 A 60 1 n GLY . 60 A 60 A 61 1 n ILE . 61 A 61 A 62 1 n ALA . 62 A 62 A 63 1 n ASP . 63 A 63 A 64 1 n THR . 64 A 64 A 65 1 n VAL . 65 A 65 A 66 1 n LEU . 66 A 66 A 67 1 n SER . 67 A 67 A 68 1 n THR . 68 A 68 A 69 1 n ILE . 69 A 69 A 70 1 n GLU . 70 A 70 A 71 1 n ALA . 71 A 71 A 72 1 n HIS . 72 A 72 A 73 1 n SER . 73 A 73 A 74 1 n GLN . 74 A 74 A 75 1 n ALA . 75 A 75 A 76 1 n THR . 76 A 76 A 77 1 n TYR . 77 A 77 A 78 1 n ARG . 78 A 78 A 79 1 n ARG . 79 A 79 A 80 1 n PRO . 80 A 80 A 81 1 n CYS . 81 A 81 A 82 1 n TYR . 82 A 82 A 83 1 n LYS . 83 A 83 A 84 1 n ARG . 84 A 84 A 85 1 n ILE . 85 A 85 A 86 1 n THR . 86 A 86 A 87 1 n THR . 87 A 87 A 88 1 n ALA . 88 A 88 A 89 1 n GLN . 89 A 89 A 90 1 n THR . 90 A 90 A 91 1 n HIS . 91 A 91 A 92 1 n LEU . 92 A 92 A 93 1 n LEU . 93 A 93 A 94 1 n ALA . 94 A 94 A 95 1 n VAL . 95 A 95 A 96 1 n THR . 96 A 96 A 97 1 n LEU . 97 A 97 A 98 1 n LEU . 98 A 98 A 99 1 n GLU . 99 A 99 A 100 1 n ARG . 100 A 100 A 101 1 n PHE . 101 A 101 A 102 1 n GLY . 102 A 102 A 103 1 n SER . 103 A 103 A 104 1 n ALA . 104 A 104 A 105 1 n ARG . 105 A 105 A 106 1 n ARG . 106 A 106 A 107 1 n VAL . 107 A 107 A 108 1 n ALA . 108 A 108 A 109 1 n ASN . 109 A 109 A 110 1 n ALA . 110 A 110 A 111 1 n VAL . 111 A 111 A 112 1 n TRP . 112 A 112 A 113 1 n GLN . 113 A 113 A 114 1 n LEU . 114 A 114 A 115 1 n THR . 115 A 115 A 116 1 n ASP . 116 A 116 A 117 1 n ASP . 117 A 117 A 118 1 n GLU . 118 A 118 A 119 1 n ILE . 119 A 119 A 120 1 n ASP . 120 A 120 A 121 1 n GLN . 121 A 121 A 122 1 n ALA . 122 A 122 A 123 1 n LYS . 123 A 123 A 124 1 n ALA . 124 A 124 # _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 ? -9.996 -5.146 -4.824 1.00 63.73 1 A 1 ATOM 2 C CA . MET A 1 1 ? -9.884 -5.385 -3.375 1.00 69.17 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.936 -4.533 -2.682 1.00 73.02 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.414 -3.570 -3.292 1.00 69.96 1 A 1 ATOM 5 C CB . MET A 1 1 ? -8.439 -5.087 -2.933 1.00 62.81 1 A 1 ATOM 6 C CG . MET A 1 1 ? -8.127 -5.567 -1.520 1.00 56.47 1 A 1 ATOM 7 S SD . MET A 1 1 ? -6.379 -5.356 -1.082 1.00 53.44 1 A 1 ATOM 8 C CE . MET A 1 1 ? -5.644 -6.811 -1.865 1.00 47.08 1 A 1 ATOM 9 N N . ALA A 1 2 ? -11.376 -4.903 -1.471 1.00 74.95 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -12.218 -4.027 -0.664 1.00 80.41 2 A 1 ATOM 11 C C . ALA A 1 2 ? -11.329 -2.995 0.045 1.00 86.48 2 A 1 ATOM 12 O O . ALA A 1 2 ? -10.188 -3.297 0.386 1.00 83.16 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -13.022 -4.872 0.323 1.00 70.74 2 A 1 ATOM 14 N N . TYR A 1 3 ? -11.848 -1.790 0.258 1.00 92.23 3 A 1 ATOM 15 C CA . TYR A 1 3 ? -11.131 -0.782 1.034 1.00 94.11 3 A 1 ATOM 16 C C . TYR A 1 3 ? -11.231 -1.127 2.517 1.00 93.73 3 A 1 ATOM 17 O O . TYR A 1 3 ? -12.332 -1.218 3.060 1.00 90.78 3 A 1 ATOM 18 C CB . TYR A 1 3 ? -11.695 0.612 0.748 1.00 93.70 3 A 1 ATOM 19 C CG . TYR A 1 3 ? -11.652 1.066 -0.696 1.00 95.20 3 A 1 ATOM 20 C CD1 . TYR A 1 3 ? -10.679 0.586 -1.596 1.00 93.11 3 A 1 ATOM 21 C CD2 . TYR A 1 3 ? -12.603 2.001 -1.156 1.00 93.41 3 A 1 ATOM 22 C CE1 . TYR A 1 3 ? -10.661 1.014 -2.934 1.00 92.87 3 A 1 ATOM 23 C CE2 . TYR A 1 3 ? -12.588 2.439 -2.489 1.00 93.50 3 A 1 ATOM 24 C CZ . TYR A 1 3 ? -11.618 1.940 -3.377 1.00 94.34 3 A 1 ATOM 25 O OH . TYR A 1 3 ? -11.607 2.359 -4.680 1.00 93.01 3 A 1 ATOM 26 N N . GLU A 1 4 ? -10.083 -1.283 3.170 1.00 94.87 4 A 1 ATOM 27 C CA . GLU A 1 4 ? -10.000 -1.725 4.556 1.00 94.95 4 A 1 ATOM 28 C C . GLU A 1 4 ? -9.259 -0.699 5.417 1.00 96.32 4 A 1 ATOM 29 O O . GLU A 1 4 ? -8.355 0.002 4.961 1.00 96.12 4 A 1 ATOM 30 C CB . GLU A 1 4 ? -9.316 -3.099 4.628 1.00 92.87 4 A 1 ATOM 31 C CG . GLU A 1 4 ? -10.120 -4.241 3.975 1.00 87.44 4 A 1 ATOM 32 C CD . GLU A 1 4 ? -11.472 -4.529 4.649 1.00 82.52 4 A 1 ATOM 33 O OE1 . GLU A 1 4 ? -12.285 -5.238 4.023 1.00 74.98 4 A 1 ATOM 34 O OE2 . GLU A 1 4 ? -11.688 -4.040 5.784 1.00 74.42 4 A 1 ATOM 35 N N . LYS A 1 5 ? -9.622 -0.629 6.709 1.00 95.07 5 A 1 ATOM 36 C CA . LYS A 1 5 ? -8.879 0.219 7.656 1.00 95.94 5 A 1 ATOM 37 C C . LYS A 1 5 ? -7.544 -0.414 8.045 1.00 96.99 5 A 1 ATOM 38 O O . LYS A 1 5 ? -6.547 0.288 8.216 1.00 96.56 5 A 1 ATOM 39 C CB . LYS A 1 5 ? -9.731 0.523 8.899 1.00 94.85 5 A 1 ATOM 40 C CG . LYS A 1 5 ? -10.915 1.443 8.553 1.00 90.51 5 A 1 ATOM 41 C CD . LYS A 1 5 ? -11.636 1.948 9.808 1.00 84.16 5 A 1 ATOM 42 C CE . LYS A 1 5 ? -12.726 2.928 9.362 1.00 76.35 5 A 1 ATOM 43 N NZ . LYS A 1 5 ? -13.350 3.691 10.475 1.00 66.32 5 A 1 ATOM 44 N N . THR A 1 6 ? -7.540 -1.737 8.184 1.00 96.71 6 A 1 ATOM 45 C CA . THR A 1 6 ? -6.376 -2.509 8.627 1.00 96.68 6 A 1 ATOM 46 C C . THR A 1 6 ? -6.284 -3.823 7.866 1.00 96.77 6 A 1 ATOM 47 O O . THR A 1 6 ? -7.310 -4.438 7.572 1.00 95.90 6 A 1 ATOM 48 C CB . THR A 1 6 ? -6.449 -2.828 10.133 1.00 95.92 6 A 1 ATOM 49 O OG1 . THR A 1 6 ? -7.620 -3.553 10.432 1.00 90.89 6 A 1 ATOM 50 C CG2 . THR A 1 6 ? -6.457 -1.578 11.014 1.00 90.03 6 A 1 ATOM 51 N N . TRP A 1 7 ? -5.063 -4.297 7.622 1.00 97.15 7 A 1 ATOM 52 C CA . TRP A 1 7 ? -4.799 -5.662 7.175 1.00 97.30 7 A 1 ATOM 53 C C . TRP A 1 7 ? -4.125 -6.459 8.293 1.00 97.27 7 A 1 ATOM 54 O O . TRP A 1 7 ? -3.326 -5.919 9.067 1.00 96.44 7 A 1 ATOM 55 C CB . TRP A 1 7 ? -3.946 -5.657 5.906 1.00 96.91 7 A 1 ATOM 56 C CG . TRP A 1 7 ? -4.615 -5.186 4.650 1.00 96.57 7 A 1 ATOM 57 C CD1 . TRP A 1 7 ? -5.906 -4.806 4.500 1.00 94.65 7 A 1 ATOM 58 C CD2 . TRP A 1 7 ? -4.009 -5.063 3.329 1.00 96.64 7 A 1 ATOM 59 N NE1 . TRP A 1 7 ? -6.143 -4.452 3.178 1.00 94.22 7 A 1 ATOM 60 C CE2 . TRP A 1 7 ? -5.001 -4.600 2.427 1.00 96.04 7 A 1 ATOM 61 C CE3 . TRP A 1 7 ? -2.711 -5.306 2.819 1.00 94.64 7 A 1 ATOM 62 C CZ2 . TRP A 1 7 ? -4.725 -4.377 1.066 1.00 94.36 7 A 1 ATOM 63 C CZ3 . TRP A 1 7 ? -2.435 -5.083 1.461 1.00 94.50 7 A 1 ATOM 64 C CH2 . TRP A 1 7 ? -3.435 -4.625 0.596 1.00 94.36 7 A 1 ATOM 65 N N . HIS A 1 8 ? -4.431 -7.760 8.349 1.00 96.59 8 A 1 ATOM 66 C CA . HIS A 1 8 ? -3.660 -8.684 9.171 1.00 96.58 8 A 1 ATOM 67 C C . HIS A 1 8 ? -2.248 -8.852 8.584 1.00 97.12 8 A 1 ATOM 68 O O . HIS A 1 8 ? -2.080 -8.840 7.362 1.00 96.69 8 A 1 ATOM 69 C CB . HIS A 1 8 ? -4.397 -10.025 9.265 1.00 95.33 8 A 1 ATOM 70 C CG . HIS A 1 8 ? -3.852 -10.889 10.372 1.00 90.24 8 A 1 ATOM 71 N ND1 . HIS A 1 8 ? -2.924 -11.896 10.269 1.00 80.74 8 A 1 ATOM 72 C CD2 . HIS A 1 8 ? -4.149 -10.769 11.709 1.00 79.20 8 A 1 ATOM 73 C CE1 . HIS A 1 8 ? -2.666 -12.373 11.502 1.00 80.19 8 A 1 ATOM 74 N NE2 . HIS A 1 8 ? -3.394 -11.709 12.407 1.00 80.83 8 A 1 ATOM 75 N N . ARG A 1 9 ? -1.233 -9.023 9.442 1.00 96.75 9 A 1 ATOM 76 C CA . ARG A 1 9 ? 0.171 -9.173 9.009 1.00 96.97 9 A 1 ATOM 77 C C . ARG A 1 9 ? 0.326 -10.310 7.999 1.00 97.64 9 A 1 ATOM 78 O O . ARG A 1 9 ? 0.919 -10.093 6.947 1.00 97.33 9 A 1 ATOM 79 C CB . ARG A 1 9 ? 1.102 -9.402 10.216 1.00 94.69 9 A 1 ATOM 80 C CG . ARG A 1 9 ? 1.213 -8.164 11.122 1.00 86.33 9 A 1 ATOM 81 C CD . ARG A 1 9 ? 2.153 -8.392 12.313 1.00 87.17 9 A 1 ATOM 82 N NE . ARG A 1 9 ? 3.581 -8.383 11.931 1.00 84.42 9 A 1 ATOM 83 C CZ . ARG A 1 9 ? 4.482 -9.358 12.062 1.00 83.32 9 A 1 ATOM 84 N NH1 . ARG A 1 9 ? 4.212 -10.515 12.593 1.00 72.36 9 A 1 ATOM 85 N NH2 . ARG A 1 9 ? 5.701 -9.187 11.659 1.00 72.50 9 A 1 ATOM 86 N N . ASP A 1 10 ? -0.283 -11.467 8.272 1.00 97.20 10 A 1 ATOM 87 C CA . ASP A 1 10 ? -0.224 -12.630 7.377 1.00 96.90 10 A 1 ATOM 88 C C . ASP A 1 10 ? -0.808 -12.307 5.997 1.00 97.38 10 A 1 ATOM 89 O O . ASP A 1 10 ? -0.203 -12.626 4.977 1.00 97.07 10 A 1 ATOM 90 C CB . ASP A 1 10 ? -0.984 -13.818 7.988 1.00 95.63 10 A 1 ATOM 91 C CG . ASP A 1 10 ? -0.502 -14.232 9.381 1.00 89.64 10 A 1 ATOM 92 O OD1 . ASP A 1 10 ? 0.574 -13.757 9.809 1.00 86.01 10 A 1 ATOM 93 O OD2 . ASP A 1 10 ? -1.284 -14.938 10.051 1.00 84.93 10 A 1 ATOM 94 N N . TYR A 1 11 ? -1.934 -11.594 5.943 1.00 97.03 11 A 1 ATOM 95 C CA . TYR A 1 11 ? -2.532 -11.182 4.672 1.00 97.01 11 A 1 ATOM 96 C C . TYR A 1 11 ? -1.619 -10.229 3.886 1.00 97.47 11 A 1 ATOM 97 O O . TYR A 1 11 ? -1.482 -10.361 2.668 1.00 97.47 11 A 1 ATOM 98 C CB . TYR A 1 11 ? -3.893 -10.532 4.930 1.00 96.29 11 A 1 ATOM 99 C CG . TYR A 1 11 ? -4.562 -10.068 3.653 1.00 94.31 11 A 1 ATOM 100 C CD1 . TYR A 1 11 ? -4.462 -8.726 3.233 1.00 92.32 11 A 1 ATOM 101 C CD2 . TYR A 1 11 ? -5.234 -11.003 2.835 1.00 92.01 11 A 1 ATOM 102 C CE1 . TYR A 1 11 ? -5.027 -8.321 2.014 1.00 89.18 11 A 1 ATOM 103 C CE2 . TYR A 1 11 ? -5.800 -10.610 1.614 1.00 89.40 11 A 1 ATOM 104 C CZ . TYR A 1 11 ? -5.691 -9.267 1.207 1.00 87.81 11 A 1 ATOM 105 O OH . TYR A 1 11 ? -6.233 -8.890 0.003 1.00 85.63 11 A 1 ATOM 106 N N . ALA A 1 12 ? -0.971 -9.291 4.573 1.00 97.47 12 A 1 ATOM 107 C CA . ALA A 1 12 ? -0.008 -8.393 3.943 1.00 97.80 12 A 1 ATOM 108 C C . ALA A 1 12 ? 1.189 -9.177 3.370 1.00 97.94 12 A 1 ATOM 109 O O . ALA A 1 12 ? 1.539 -8.981 2.206 1.00 97.97 12 A 1 ATOM 110 C CB . ALA A 1 12 ? 0.421 -7.325 4.958 1.00 97.87 12 A 1 ATOM 111 N N . ALA A 1 13 ? 1.752 -10.116 4.137 1.00 98.09 13 A 1 ATOM 112 C CA . ALA A 1 13 ? 2.856 -10.968 3.698 1.00 98.13 13 A 1 ATOM 113 C C . ALA A 1 13 ? 2.464 -11.853 2.499 1.00 98.04 13 A 1 ATOM 114 O O . ALA A 1 13 ? 3.151 -11.850 1.475 1.00 97.94 13 A 1 ATOM 115 C CB . ALA A 1 13 ? 3.330 -11.811 4.891 1.00 98.04 13 A 1 ATOM 116 N N . GLU A 1 14 ? 1.328 -12.547 2.578 1.00 97.73 14 A 1 ATOM 117 C CA . GLU A 1 14 ? 0.810 -13.398 1.499 1.00 97.37 14 A 1 ATOM 118 C C . GLU A 1 14 ? 0.532 -12.601 0.214 1.00 97.05 14 A 1 ATOM 119 O O . GLU A 1 14 ? 0.881 -13.041 -0.886 1.00 96.59 14 A 1 ATOM 120 C CB . GLU A 1 14 ? -0.498 -14.070 1.944 1.00 96.92 14 A 1 ATOM 121 C CG . GLU A 1 14 ? -0.308 -15.193 2.976 1.00 89.05 14 A 1 ATOM 122 C CD . GLU A 1 14 ? -1.644 -15.791 3.453 1.00 85.71 14 A 1 ATOM 123 O OE1 . GLU A 1 14 ? -1.603 -16.631 4.380 1.00 80.82 14 A 1 ATOM 124 O OE2 . GLU A 1 14 ? -2.705 -15.450 2.870 1.00 81.35 14 A 1 ATOM 125 N N . SER A 1 15 ? -0.078 -11.420 0.334 1.00 97.33 15 A 1 ATOM 126 C CA . SER A 1 15 ? -0.367 -10.576 -0.829 1.00 97.01 15 A 1 ATOM 127 C C . SER A 1 15 ? 0.908 -10.069 -1.508 1.00 97.00 15 A 1 ATOM 128 O O . SER A 1 15 ? 0.983 -10.079 -2.740 1.00 96.55 15 A 1 ATOM 129 C CB . SER A 1 15 ? -1.289 -9.409 -0.446 1.00 96.40 15 A 1 ATOM 130 O OG . SER A 1 15 ? -0.642 -8.448 0.362 1.00 91.52 15 A 1 ATOM 131 N N . LEU A 1 16 ? 1.925 -9.710 -0.725 1.00 97.51 16 A 1 ATOM 132 C CA . LEU A 1 16 ? 3.223 -9.294 -1.255 1.00 97.56 16 A 1 ATOM 133 C C . LEU A 1 16 ? 3.944 -10.465 -1.928 1.00 97.01 16 A 1 ATOM 134 O O . LEU A 1 16 ? 4.383 -10.336 -3.071 1.00 96.48 16 A 1 ATOM 135 C CB . LEU A 1 16 ? 4.047 -8.657 -0.124 1.00 97.64 16 A 1 ATOM 136 C CG . LEU A 1 16 ? 5.457 -8.203 -0.545 1.00 95.99 16 A 1 ATOM 137 C CD1 . LEU A 1 16 ? 5.470 -7.316 -1.789 1.00 93.12 16 A 1 ATOM 138 C CD2 . LEU A 1 16 ? 6.070 -7.387 0.595 1.00 93.24 16 A 1 ATOM 139 N N . LYS A 1 17 ? 3.982 -11.632 -1.276 1.00 97.50 17 A 1 ATOM 140 C CA . LYS A 1 17 ? 4.577 -12.839 -1.855 1.00 97.03 17 A 1 ATOM 141 C C . LYS A 1 17 ? 3.916 -13.223 -3.179 1.00 96.38 17 A 1 ATOM 142 O O . LYS A 1 17 ? 4.605 -13.575 -4.137 1.00 95.57 17 A 1 ATOM 143 C CB . LYS A 1 17 ? 4.494 -13.986 -0.835 1.00 96.69 17 A 1 ATOM 144 C CG . LYS A 1 17 ? 5.240 -15.258 -1.275 1.00 93.32 17 A 1 ATOM 145 C CD . LYS A 1 17 ? 6.738 -14.990 -1.418 1.00 88.02 17 A 1 ATOM 146 C CE . LYS A 1 17 ? 7.519 -16.278 -1.660 1.00 85.05 17 A 1 ATOM 147 N NZ . LYS A 1 17 ? 8.972 -16.021 -1.506 1.00 77.20 17 A 1 ATOM 148 N N . ARG A 1 18 ? 2.594 -13.109 -3.250 1.00 96.47 18 A 1 ATOM 149 C CA . ARG A 1 18 ? 1.826 -13.350 -4.478 1.00 95.74 18 A 1 ATOM 150 C C . ARG A 1 18 ? 2.199 -12.368 -5.595 1.00 95.70 18 A 1 ATOM 151 O O . ARG A 1 18 ? 2.343 -12.799 -6.733 1.00 95.10 18 A 1 ATOM 152 C CB . ARG A 1 18 ? 0.333 -13.283 -4.145 1.00 94.76 18 A 1 ATOM 153 C CG . ARG A 1 18 ? -0.534 -13.840 -5.273 1.00 85.39 18 A 1 ATOM 154 C CD . ARG A 1 18 ? -2.025 -13.734 -4.926 1.00 83.57 18 A 1 ATOM 155 N NE . ARG A 1 18 ? -2.341 -14.415 -3.652 1.00 75.67 18 A 1 ATOM 156 C CZ . ARG A 1 18 ? -3.224 -14.035 -2.737 1.00 69.48 18 A 1 ATOM 157 N NH1 . ARG A 1 18 ? -4.047 -13.051 -2.944 1.00 63.38 18 A 1 ATOM 158 N NH2 . ARG A 1 18 ? -3.276 -14.650 -1.585 1.00 60.83 18 A 1 ATOM 159 N N . ALA A 1 19 ? 2.374 -11.094 -5.271 1.00 96.30 19 A 1 ATOM 160 C CA . ALA A 1 19 ? 2.809 -10.099 -6.252 1.00 95.96 19 A 1 ATOM 161 C C . ALA A 1 19 ? 4.230 -10.401 -6.768 1.00 95.69 19 A 1 ATOM 162 O O . ALA A 1 19 ? 4.446 -10.442 -7.977 1.00 95.02 19 A 1 ATOM 163 C CB . ALA A 1 19 ? 2.706 -8.703 -5.631 1.00 95.93 19 A 1 ATOM 164 N N . GLU A 1 20 ? 5.169 -10.716 -5.878 1.00 95.93 20 A 1 ATOM 165 C CA . GLU A 1 20 ? 6.559 -11.034 -6.233 1.00 95.32 20 A 1 ATOM 166 C C . GLU A 1 20 ? 6.694 -12.303 -7.092 1.00 94.64 20 A 1 ATOM 167 O O . GLU A 1 20 ? 7.577 -12.390 -7.942 1.00 93.17 20 A 1 ATOM 168 C CB . GLU A 1 20 ? 7.391 -11.231 -4.957 1.00 95.17 20 A 1 ATOM 169 C CG . GLU A 1 20 ? 7.623 -9.936 -4.163 1.00 94.42 20 A 1 ATOM 170 C CD . GLU A 1 20 ? 8.483 -10.168 -2.905 1.00 94.95 20 A 1 ATOM 171 O OE1 . GLU A 1 20 ? 8.959 -9.177 -2.312 1.00 92.72 20 A 1 ATOM 172 O OE2 . GLU A 1 20 ? 8.727 -11.335 -2.507 1.00 93.45 20 A 1 ATOM 173 N N . THR A 1 21 ? 5.821 -13.294 -6.872 1.00 95.21 21 A 1 ATOM 174 C CA . THR A 1 21 ? 5.859 -14.582 -7.591 1.00 94.71 21 A 1 ATOM 175 C C . THR A 1 21 ? 4.971 -14.613 -8.835 1.00 94.30 21 A 1 ATOM 176 O O . THR A 1 21 ? 5.004 -15.583 -9.598 1.00 91.41 21 A 1 ATOM 177 C CB . THR A 1 21 ? 5.527 -15.756 -6.659 1.00 93.73 21 A 1 ATOM 178 O OG1 . THR A 1 21 ? 4.264 -15.591 -6.060 1.00 88.38 21 A 1 ATOM 179 C CG2 . THR A 1 21 ? 6.557 -15.907 -5.539 1.00 86.13 21 A 1 ATOM 180 N N . SER A 1 22 ? 4.184 -13.570 -9.081 1.00 93.76 22 A 1 ATOM 181 C CA . SER A 1 22 ? 3.302 -13.495 -10.241 1.00 92.93 22 A 1 ATOM 182 C C . SER A 1 22 ? 4.106 -13.317 -11.528 1.00 92.80 22 A 1 ATOM 183 O O . SER A 1 22 ? 4.841 -12.357 -11.701 1.00 90.63 22 A 1 ATOM 184 C CB . SER A 1 22 ? 2.306 -12.348 -10.090 1.00 91.09 22 A 1 ATOM 185 O OG . SER A 1 22 ? 1.473 -12.290 -11.236 1.00 82.93 22 A 1 ATOM 186 N N . ARG A 1 23 ? 3.884 -14.215 -12.489 1.00 91.25 23 A 1 ATOM 187 C CA . ARG A 1 23 ? 4.479 -14.109 -13.833 1.00 90.72 23 A 1 ATOM 188 C C . ARG A 1 23 ? 3.934 -12.948 -14.675 1.00 91.15 23 A 1 ATOM 189 O O . ARG A 1 23 ? 4.453 -12.700 -15.757 1.00 87.71 23 A 1 ATOM 190 C CB . ARG A 1 23 ? 4.306 -15.444 -14.575 1.00 88.65 23 A 1 ATOM 191 C CG . ARG A 1 23 ? 2.835 -15.741 -14.911 1.00 78.43 23 A 1 ATOM 192 C CD . ARG A 1 23 ? 2.705 -17.075 -15.639 1.00 74.12 23 A 1 ATOM 193 N NE . ARG A 1 23 ? 1.297 -17.362 -15.940 1.00 65.47 23 A 1 ATOM 194 C CZ . ARG A 1 23 ? 0.833 -18.458 -16.525 1.00 57.58 23 A 1 ATOM 195 N NH1 . ARG A 1 23 ? 1.628 -19.412 -16.920 1.00 52.64 23 A 1 ATOM 196 N NH2 . ARG A 1 23 ? -0.449 -18.603 -16.714 1.00 50.36 23 A 1 ATOM 197 N N . TRP A 1 24 ? 2.842 -12.328 -14.231 1.00 91.68 24 A 1 ATOM 198 C CA . TRP A 1 24 ? 2.155 -11.260 -14.965 1.00 90.42 24 A 1 ATOM 199 C C . TRP A 1 24 ? 2.531 -9.866 -14.468 1.00 90.86 24 A 1 ATOM 200 O O . TRP A 1 24 ? 2.282 -8.883 -15.161 1.00 86.40 24 A 1 ATOM 201 C CB . TRP A 1 24 ? 0.643 -11.474 -14.851 1.00 88.05 24 A 1 ATOM 202 C CG . TRP A 1 24 ? 0.149 -12.818 -15.286 1.00 82.13 24 A 1 ATOM 203 C CD1 . TRP A 1 24 ? -0.425 -13.741 -14.480 1.00 74.24 24 A 1 ATOM 204 C CD2 . TRP A 1 24 ? 0.140 -13.383 -16.635 1.00 78.09 24 A 1 ATOM 205 N NE1 . TRP A 1 24 ? -0.815 -14.842 -15.237 1.00 69.64 24 A 1 ATOM 206 C CE2 . TRP A 1 24 ? -0.499 -14.657 -16.567 1.00 74.31 24 A 1 ATOM 207 C CE3 . TRP A 1 24 ? 0.573 -12.934 -17.899 1.00 67.57 24 A 1 ATOM 208 C CZ2 . TRP A 1 24 ? -0.714 -15.450 -17.718 1.00 70.59 24 A 1 ATOM 209 C CZ3 . TRP A 1 24 ? 0.375 -13.727 -19.042 1.00 63.02 24 A 1 ATOM 210 C CH2 . TRP A 1 24 ? -0.272 -14.969 -18.953 1.00 64.45 24 A 1 ATOM 211 N N . THR A 1 25 ? 3.116 -9.798 -13.288 1.00 89.10 25 A 1 ATOM 212 C CA . THR A 1 25 ? 3.549 -8.542 -12.685 1.00 88.22 25 A 1 ATOM 213 C C . THR A 1 25 ? 4.876 -8.099 -13.298 1.00 88.68 25 A 1 ATOM 214 O O . THR A 1 25 ? 5.846 -8.853 -13.307 1.00 87.42 25 A 1 ATOM 215 C CB . THR A 1 25 ? 3.634 -8.705 -11.167 1.00 85.09 25 A 1 ATOM 216 O OG1 . THR A 1 25 ? 2.310 -8.817 -10.677 1.00 76.82 25 A 1 ATOM 217 C CG2 . THR A 1 25 ? 4.273 -7.528 -10.459 1.00 76.51 25 A 1 ATOM 218 N N . GLN A 1 26 ? 4.902 -6.876 -13.823 1.00 91.31 26 A 1 ATOM 219 C CA . GLN A 1 26 ? 6.114 -6.272 -14.388 1.00 91.31 26 A 1 ATOM 220 C C . GLN A 1 26 ? 6.963 -5.596 -13.308 1.00 92.53 26 A 1 ATOM 221 O O . GLN A 1 26 ? 8.185 -5.731 -13.307 1.00 90.20 26 A 1 ATOM 222 C CB . GLN A 1 26 ? 5.738 -5.254 -15.476 1.00 88.81 26 A 1 ATOM 223 C CG . GLN A 1 26 ? 5.062 -5.919 -16.682 1.00 79.84 26 A 1 ATOM 224 C CD . GLN A 1 26 ? 4.788 -4.947 -17.833 1.00 72.61 26 A 1 ATOM 225 O OE1 . GLN A 1 26 ? 4.943 -3.744 -17.753 1.00 66.07 26 A 1 ATOM 226 N NE2 . GLN A 1 26 ? 4.367 -5.448 -18.972 1.00 63.85 26 A 1 ATOM 227 N N . ASP A 1 27 ? 6.309 -4.891 -12.386 1.00 94.86 27 A 1 ATOM 228 C CA . ASP A 1 27 ? 6.945 -4.236 -11.245 1.00 96.01 27 A 1 ATOM 229 C C . ASP A 1 27 ? 6.160 -4.557 -9.966 1.00 96.81 27 A 1 ATOM 230 O O . ASP A 1 27 ? 5.210 -3.859 -9.599 1.00 96.37 27 A 1 ATOM 231 C CB . ASP A 1 27 ? 7.070 -2.725 -11.498 1.00 95.01 27 A 1 ATOM 232 C CG . ASP A 1 27 ? 7.834 -1.993 -10.382 1.00 93.98 27 A 1 ATOM 233 O OD1 . ASP A 1 27 ? 8.052 -2.583 -9.295 1.00 91.78 27 A 1 ATOM 234 O OD2 . ASP A 1 27 ? 8.195 -0.820 -10.610 1.00 90.36 27 A 1 ATOM 235 N N . ALA A 1 28 ? 6.568 -5.622 -9.284 1.00 96.48 28 A 1 ATOM 236 C CA . ALA A 1 28 ? 5.932 -6.071 -8.049 1.00 96.75 28 A 1 ATOM 237 C C . ALA A 1 28 ? 5.969 -5.004 -6.947 1.00 97.44 28 A 1 ATOM 238 O O . ALA A 1 28 ? 5.037 -4.913 -6.147 1.00 97.24 28 A 1 ATOM 239 C CB . ALA A 1 28 ? 6.628 -7.356 -7.580 1.00 95.62 28 A 1 ATOM 240 N N . ASN A 1 29 ? 7.010 -4.172 -6.905 1.00 97.67 29 A 1 ATOM 241 C CA . ASN A 1 29 ? 7.108 -3.102 -5.917 1.00 97.90 29 A 1 ATOM 242 C C . ASN A 1 29 ? 6.000 -2.069 -6.128 1.00 98.09 29 A 1 ATOM 243 O O . ASN A 1 29 ? 5.256 -1.766 -5.193 1.00 98.02 29 A 1 ATOM 244 C CB . ASN A 1 29 ? 8.494 -2.436 -5.985 1.00 97.73 29 A 1 ATOM 245 C CG . ASN A 1 29 ? 9.602 -3.323 -5.451 1.00 96.99 29 A 1 ATOM 246 O OD1 . ASN A 1 29 ? 9.564 -3.810 -4.335 1.00 93.07 29 A 1 ATOM 247 N ND2 . ASN A 1 29 ? 10.638 -3.544 -6.232 1.00 91.93 29 A 1 ATOM 248 N N . LEU A 1 30 ? 5.860 -1.564 -7.354 1.00 97.75 30 A 1 ATOM 249 C CA . LEU A 1 30 ? 4.865 -0.547 -7.669 1.00 97.71 30 A 1 ATOM 250 C C . LEU A 1 30 ? 3.444 -1.112 -7.589 1.00 97.75 30 A 1 ATOM 251 O O . LEU A 1 30 ? 2.599 -0.528 -6.914 1.00 97.67 30 A 1 ATOM 252 C CB . LEU A 1 30 ? 5.177 0.052 -9.048 1.00 97.51 30 A 1 ATOM 253 C CG . LEU A 1 30 ? 4.228 1.195 -9.456 1.00 96.46 30 A 1 ATOM 254 C CD1 . LEU A 1 30 ? 4.300 2.387 -8.501 1.00 95.67 30 A 1 ATOM 255 C CD2 . LEU A 1 30 ? 4.597 1.683 -10.854 1.00 95.51 30 A 1 ATOM 256 N N . GLU A 1 31 ? 3.184 -2.258 -8.235 1.00 97.27 31 A 1 ATOM 257 C CA . GLU A 1 31 ? 1.847 -2.856 -8.296 1.00 96.85 31 A 1 ATOM 258 C C . GLU A 1 31 ? 1.320 -3.222 -6.905 1.00 97.10 31 A 1 ATOM 259 O O . GLU A 1 31 ? 0.193 -2.866 -6.553 1.00 96.95 31 A 1 ATOM 260 C CB . GLU A 1 31 ? 1.852 -4.100 -9.196 1.00 95.92 31 A 1 ATOM 261 C CG . GLU A 1 31 ? 2.017 -3.766 -10.688 1.00 85.97 31 A 1 ATOM 262 C CD . GLU A 1 31 ? 1.977 -5.012 -11.592 1.00 79.30 31 A 1 ATOM 263 O OE1 . GLU A 1 31 ? 2.579 -4.972 -12.685 1.00 74.26 31 A 1 ATOM 264 O OE2 . GLU A 1 31 ? 1.340 -6.020 -11.210 1.00 75.03 31 A 1 ATOM 265 N N . TRP A 1 32 ? 2.136 -3.883 -6.070 1.00 97.39 32 A 1 ATOM 266 C CA . TRP A 1 32 ? 1.724 -4.216 -4.710 1.00 97.86 32 A 1 ATOM 267 C C . TRP A 1 32 ? 1.542 -2.967 -3.851 1.00 98.02 32 A 1 ATOM 268 O O . TRP A 1 32 ? 0.551 -2.871 -3.134 1.00 98.06 32 A 1 ATOM 269 C CB . TRP A 1 32 ? 2.703 -5.181 -4.055 1.00 97.97 32 A 1 ATOM 270 C CG . TRP A 1 32 ? 2.293 -5.552 -2.655 1.00 98.10 32 A 1 ATOM 271 C CD1 . TRP A 1 32 ? 1.451 -6.561 -2.332 1.00 97.73 32 A 1 ATOM 272 C CD2 . TRP A 1 32 ? 2.633 -4.883 -1.399 1.00 98.19 32 A 1 ATOM 273 N NE1 . TRP A 1 32 ? 1.255 -6.581 -0.956 1.00 97.73 32 A 1 ATOM 274 C CE2 . TRP A 1 32 ? 1.966 -5.566 -0.346 1.00 98.04 32 A 1 ATOM 275 C CE3 . TRP A 1 32 ? 3.439 -3.778 -1.055 1.00 97.96 32 A 1 ATOM 276 C CZ2 . TRP A 1 32 ? 2.101 -5.178 1.008 1.00 97.86 32 A 1 ATOM 277 C CZ3 . TRP A 1 32 ? 3.571 -3.384 0.293 1.00 97.67 32 A 1 ATOM 278 C CH2 . TRP A 1 32 ? 2.912 -4.080 1.312 1.00 97.73 32 A 1 ATOM 279 N N . THR A 1 33 ? 2.428 -1.978 -3.938 1.00 98.06 33 A 1 ATOM 280 C CA . THR A 1 33 ? 2.300 -0.746 -3.139 1.00 98.43 33 A 1 ATOM 281 C C . THR A 1 33 ? 1.039 0.027 -3.523 1.00 98.40 33 A 1 ATOM 282 O O . THR A 1 33 ? 0.325 0.508 -2.646 1.00 98.42 33 A 1 ATOM 283 C CB . THR A 1 33 ? 3.541 0.150 -3.256 1.00 98.61 33 A 1 ATOM 284 O OG1 . THR A 1 33 ? 4.696 -0.575 -2.906 1.00 97.91 33 A 1 ATOM 285 C CG2 . THR A 1 33 ? 3.494 1.340 -2.299 1.00 97.96 33 A 1 ATOM 286 N N . GLN A 1 34 ? 0.693 0.088 -4.811 1.00 98.08 34 A 1 ATOM 287 C CA . GLN A 1 34 ? -0.569 0.686 -5.268 1.00 97.91 34 A 1 ATOM 288 C C . GLN A 1 34 ? -1.791 -0.065 -4.726 1.00 97.80 34 A 1 ATOM 289 O O . GLN A 1 34 ? -2.753 0.572 -4.294 1.00 97.40 34 A 1 ATOM 290 C CB . GLN A 1 34 ? -0.628 0.723 -6.800 1.00 97.49 34 A 1 ATOM 291 C CG . GLN A 1 34 ? 0.281 1.807 -7.384 1.00 92.61 34 A 1 ATOM 292 C CD . GLN A 1 34 ? 0.064 1.960 -8.888 1.00 92.04 34 A 1 ATOM 293 O OE1 . GLN A 1 34 ? 0.765 1.413 -9.713 1.00 83.92 34 A 1 ATOM 294 N NE2 . GLN A 1 34 ? -0.928 2.720 -9.299 1.00 82.16 34 A 1 ATOM 295 N N . LEU A 1 35 ? -1.752 -1.398 -4.716 1.00 97.44 35 A 1 ATOM 296 C CA . LEU A 1 35 ? -2.819 -2.224 -4.150 1.00 96.98 35 A 1 ATOM 297 C C . LEU A 1 35 ? -2.938 -2.030 -2.630 1.00 97.52 35 A 1 ATOM 298 O O . LEU A 1 35 ? -4.038 -1.883 -2.099 1.00 97.21 35 A 1 ATOM 299 C CB . LEU A 1 35 ? -2.526 -3.689 -4.516 1.00 95.63 35 A 1 ATOM 300 C CG . LEU A 1 35 ? -3.627 -4.669 -4.074 1.00 86.50 35 A 1 ATOM 301 C CD1 . LEU A 1 35 ? -4.923 -4.438 -4.857 1.00 82.66 35 A 1 ATOM 302 C CD2 . LEU A 1 35 ? -3.148 -6.105 -4.303 1.00 82.17 35 A 1 ATOM 303 N N . ALA A 1 36 ? -1.811 -1.976 -1.929 1.00 97.73 36 A 1 ATOM 304 C CA . ALA A 1 36 ? -1.759 -1.795 -0.482 1.00 98.20 36 A 1 ATOM 305 C C . ALA A 1 36 ? -2.282 -0.420 -0.031 1.00 98.39 36 A 1 ATOM 306 O O . ALA A 1 36 ? -2.767 -0.283 1.088 1.00 98.36 36 A 1 ATOM 307 C CB . ALA A 1 36 ? -0.320 -2.047 -0.021 1.00 98.20 36 A 1 ATOM 308 N N . LEU A 1 37 ? -2.289 0.574 -0.908 1.00 98.36 37 A 1 ATOM 309 C CA . LEU A 1 37 ? -2.893 1.886 -0.640 1.00 98.47 37 A 1 ATOM 310 C C . LEU A 1 37 ? -4.433 1.860 -0.566 1.00 98.26 37 A 1 ATOM 311 O O . LEU A 1 37 ? -5.038 2.870 -0.214 1.00 97.89 37 A 1 ATOM 312 C CB . LEU A 1 37 ? -2.386 2.899 -1.676 1.00 98.56 37 A 1 ATOM 313 C CG . LEU A 1 37 ? -0.940 3.354 -1.404 1.00 98.55 37 A 1 ATOM 314 C CD1 . LEU A 1 37 ? -0.342 3.956 -2.668 1.00 98.32 37 A 1 ATOM 315 C CD2 . LEU A 1 37 ? -0.889 4.422 -0.307 1.00 98.43 37 A 1 ATOM 316 N N . GLU A 1 38 ? -5.079 0.720 -0.815 1.00 98.06 38 A 1 ATOM 317 C CA . GLU A 1 38 ? -6.484 0.500 -0.442 1.00 97.51 38 A 1 ATOM 318 C C . GLU A 1 38 ? -6.660 0.218 1.064 1.00 97.60 38 A 1 ATOM 319 O O . GLU A 1 38 ? -7.784 0.221 1.569 1.00 96.74 38 A 1 ATOM 320 C CB . GLU A 1 38 ? -7.103 -0.630 -1.288 1.00 96.50 38 A 1 ATOM 321 C CG . GLU A 1 38 ? -7.097 -0.326 -2.801 1.00 93.92 38 A 1 ATOM 322 C CD . GLU A 1 38 ? -7.921 -1.332 -3.638 1.00 90.88 38 A 1 ATOM 323 O OE1 . GLU A 1 38 ? -8.200 -1.032 -4.826 1.00 85.77 38 A 1 ATOM 324 O OE2 . GLU A 1 38 ? -8.339 -2.391 -3.111 1.00 85.48 38 A 1 ATOM 325 N N . CYS A 1 39 ? -5.565 0.013 1.791 1.00 98.07 39 A 1 ATOM 326 C CA . CYS A 1 39 ? -5.530 -0.136 3.244 1.00 98.28 39 A 1 ATOM 327 C C . CYS A 1 39 ? -5.136 1.189 3.914 1.00 98.52 39 A 1 ATOM 328 O O . CYS A 1 39 ? -4.061 1.733 3.653 1.00 98.52 39 A 1 ATOM 329 C CB . CYS A 1 39 ? -4.552 -1.261 3.599 1.00 98.03 39 A 1 ATOM 330 S SG . CYS A 1 39 ? -4.474 -1.459 5.407 1.00 97.34 39 A 1 ATOM 331 N N . ALA A 1 40 ? -5.969 1.669 4.845 1.00 98.37 40 A 1 ATOM 332 C CA . ALA A 1 40 ? -5.731 2.948 5.518 1.00 98.48 40 A 1 ATOM 333 C C . ALA A 1 40 ? -4.379 3.019 6.249 1.00 98.65 40 A 1 ATOM 334 O O . ALA A 1 40 ? -3.768 4.086 6.274 1.00 98.60 40 A 1 ATOM 335 C CB . ALA A 1 40 ? -6.889 3.228 6.480 1.00 98.18 40 A 1 ATOM 336 N N . GLN A 1 41 ? -3.872 1.901 6.790 1.00 98.43 41 A 1 ATOM 337 C CA . GLN A 1 41 ? -2.553 1.858 7.450 1.00 98.37 41 A 1 ATOM 338 C C . GLN A 1 41 ? -1.418 2.298 6.509 1.00 98.57 41 A 1 ATOM 339 O O . GLN A 1 41 ? -0.527 3.043 6.914 1.00 98.43 41 A 1 ATOM 340 C CB . GLN A 1 41 ? -2.259 0.434 7.954 1.00 97.88 41 A 1 ATOM 341 C CG . GLN A 1 41 ? -3.204 -0.025 9.065 1.00 96.31 41 A 1 ATOM 342 C CD . GLN A 1 41 ? -2.940 -1.482 9.451 1.00 96.39 41 A 1 ATOM 343 O OE1 . GLN A 1 41 ? -3.348 -2.403 8.764 1.00 91.66 41 A 1 ATOM 344 N NE2 . GLN A 1 41 ? -2.263 -1.744 10.545 1.00 90.66 41 A 1 ATOM 345 N N . VAL A 1 42 ? -1.472 1.879 5.249 1.00 98.61 42 A 1 ATOM 346 C CA . VAL A 1 42 ? -0.465 2.238 4.237 1.00 98.74 42 A 1 ATOM 347 C C . VAL A 1 42 ? -0.632 3.695 3.809 1.00 98.81 42 A 1 ATOM 348 O O . VAL A 1 42 ? 0.353 4.405 3.626 1.00 98.78 42 A 1 ATOM 349 C CB . VAL A 1 42 ? -0.542 1.300 3.020 1.00 98.70 42 A 1 ATOM 350 C CG1 . VAL A 1 42 ? 0.607 1.562 2.038 1.00 98.46 42 A 1 ATOM 351 C CG2 . VAL A 1 42 ? -0.467 -0.172 3.447 1.00 98.47 42 A 1 ATOM 352 N N . VAL A 1 43 ? -1.871 4.174 3.716 1.00 98.76 43 A 1 ATOM 353 C CA . VAL A 1 43 ? -2.148 5.582 3.391 1.00 98.80 43 A 1 ATOM 354 C C . VAL A 1 43 ? -1.666 6.511 4.508 1.00 98.83 43 A 1 ATOM 355 O O . VAL A 1 43 ? -1.120 7.571 4.214 1.00 98.81 43 A 1 ATOM 356 C CB . VAL A 1 43 ? -3.636 5.828 3.098 1.00 98.75 43 A 1 ATOM 357 C CG1 . VAL A 1 43 ? -3.841 7.240 2.537 1.00 98.44 43 A 1 ATOM 358 C CG2 . VAL A 1 43 ? -4.197 4.841 2.063 1.00 98.43 43 A 1 ATOM 359 N N . HIS A 1 44 ? -1.802 6.108 5.779 1.00 98.83 44 A 1 ATOM 360 C CA . HIS A 1 44 ? -1.251 6.857 6.911 1.00 98.81 44 A 1 ATOM 361 C C . HIS A 1 44 ? 0.276 6.965 6.836 1.00 98.85 44 A 1 ATOM 362 O O . HIS A 1 44 ? 0.812 8.046 7.086 1.00 98.75 44 A 1 ATOM 363 C CB . HIS A 1 44 ? -1.682 6.215 8.235 1.00 98.61 44 A 1 ATOM 364 C CG . HIS A 1 44 ? -3.080 6.588 8.650 1.00 96.18 44 A 1 ATOM 365 N ND1 . HIS A 1 44 ? -3.516 7.868 8.927 1.00 84.19 44 A 1 ATOM 366 C CD2 . HIS A 1 44 ? -4.150 5.754 8.848 1.00 86.49 44 A 1 ATOM 367 C CE1 . HIS A 1 44 ? -4.809 7.801 9.279 1.00 87.59 44 A 1 ATOM 368 N NE2 . HIS A 1 44 ? -5.234 6.531 9.247 1.00 88.92 44 A 1 ATOM 369 N N . LEU A 1 45 ? 0.969 5.906 6.424 1.00 98.81 45 A 1 ATOM 370 C CA . LEU A 1 45 ? 2.413 5.967 6.194 1.00 98.82 45 A 1 ATOM 371 C C . LEU A 1 45 ? 2.758 6.958 5.068 1.00 98.85 45 A 1 ATOM 372 O O . LEU A 1 45 ? 3.650 7.788 5.233 1.00 98.82 45 A 1 ATOM 373 C CB . LEU A 1 45 ? 2.945 4.555 5.895 1.00 98.80 45 A 1 ATOM 374 C CG . LEU A 1 45 ? 4.474 4.506 5.695 1.00 98.58 45 A 1 ATOM 375 C CD1 . LEU A 1 45 ? 5.231 4.826 6.983 1.00 98.35 45 A 1 ATOM 376 C CD2 . LEU A 1 45 ? 4.885 3.121 5.209 1.00 98.35 45 A 1 ATOM 377 N N . ALA A 1 46 ? 2.028 6.927 3.951 1.00 98.89 46 A 1 ATOM 378 C CA . ALA A 1 46 ? 2.234 7.879 2.855 1.00 98.89 46 A 1 ATOM 379 C C . ALA A 1 46 ? 1.978 9.332 3.293 1.00 98.89 46 A 1 ATOM 380 O O . ALA A 1 46 ? 2.733 10.232 2.920 1.00 98.83 46 A 1 ATOM 381 C CB . ALA A 1 46 ? 1.334 7.483 1.678 1.00 98.83 46 A 1 ATOM 382 N N . ARG A 1 47 ? 0.952 9.553 4.125 1.00 98.91 47 A 1 ATOM 383 C CA . ARG A 1 47 ? 0.661 10.861 4.723 1.00 98.90 47 A 1 ATOM 384 C C . ARG A 1 47 ? 1.819 11.351 5.584 1.00 98.87 47 A 1 ATOM 385 O O . ARG A 1 47 ? 2.256 12.481 5.407 1.00 98.76 47 A 1 ATOM 386 C CB . ARG A 1 47 ? -0.634 10.775 5.536 1.00 98.83 47 A 1 ATOM 387 C CG . ARG A 1 47 ? -1.129 12.161 5.950 1.00 98.39 47 A 1 ATOM 388 C CD . ARG A 1 47 ? -2.368 12.037 6.860 1.00 97.59 47 A 1 ATOM 389 N NE . ARG A 1 47 ? -2.925 13.359 7.172 1.00 95.17 47 A 1 ATOM 390 C CZ . ARG A 1 47 ? -2.403 14.260 8.007 1.00 94.20 47 A 1 ATOM 391 N NH1 . ARG A 1 47 ? -1.410 13.982 8.803 1.00 87.23 47 A 1 ATOM 392 N NH2 . ARG A 1 47 ? -2.884 15.462 8.018 1.00 88.95 47 A 1 ATOM 393 N N . GLN A 1 48 ? 2.339 10.484 6.461 1.00 98.83 48 A 1 ATOM 394 C CA . GLN A 1 48 ? 3.488 10.802 7.312 1.00 98.76 48 A 1 ATOM 395 C C . GLN A 1 48 ? 4.722 11.175 6.477 1.00 98.80 48 A 1 ATOM 396 O O . GLN A 1 48 ? 5.380 12.175 6.763 1.00 98.62 48 A 1 ATOM 397 C CB . GLN A 1 48 ? 3.775 9.608 8.231 1.00 98.47 48 A 1 ATOM 398 C CG . GLN A 1 48 ? 4.944 9.906 9.188 1.00 87.40 48 A 1 ATOM 399 C CD . GLN A 1 48 ? 5.338 8.707 10.044 1.00 83.68 48 A 1 ATOM 400 O OE1 . GLN A 1 48 ? 4.609 7.744 10.217 1.00 76.37 48 A 1 ATOM 401 N NE2 . GLN A 1 48 ? 6.527 8.738 10.600 1.00 73.31 48 A 1 ATOM 402 N N . VAL A 1 49 ? 5.013 10.434 5.408 1.00 98.79 49 A 1 ATOM 403 C CA . VAL A 1 49 ? 6.106 10.788 4.486 1.00 98.77 49 A 1 ATOM 404 C C . VAL A 1 49 ? 5.862 12.161 3.852 1.00 98.77 49 A 1 ATOM 405 O O . VAL A 1 49 ? 6.789 12.960 3.748 1.00 98.63 49 A 1 ATOM 406 C CB . VAL A 1 49 ? 6.299 9.708 3.407 1.00 98.68 49 A 1 ATOM 407 C CG1 . VAL A 1 49 ? 7.342 10.115 2.358 1.00 98.24 49 A 1 ATOM 408 C CG2 . VAL A 1 49 ? 6.778 8.395 4.036 1.00 98.34 49 A 1 ATOM 409 N N . GLY A 1 50 ? 4.623 12.461 3.466 1.00 98.83 50 A 1 ATOM 410 C CA . GLY A 1 50 ? 4.243 13.780 2.962 1.00 98.80 50 A 1 ATOM 411 C C . GLY A 1 50 ? 4.494 14.901 3.977 1.00 98.79 50 A 1 ATOM 412 O O . GLY A 1 50 ? 5.019 15.950 3.601 1.00 98.63 50 A 1 ATOM 413 N N . GLU A 1 51 ? 4.175 14.674 5.249 1.00 98.82 51 A 1 ATOM 414 C CA . GLU A 1 51 ? 4.441 15.610 6.353 1.00 98.75 51 A 1 ATOM 415 C C . GLU A 1 51 ? 5.947 15.830 6.558 1.00 98.69 51 A 1 ATOM 416 O O . GLU A 1 51 ? 6.403 16.971 6.621 1.00 98.32 51 A 1 ATOM 417 C CB . GLU A 1 51 ? 3.805 15.104 7.658 1.00 98.60 51 A 1 ATOM 418 C CG . GLU A 1 51 ? 2.274 15.175 7.625 1.00 96.39 51 A 1 ATOM 419 C CD . GLU A 1 51 ? 1.598 14.616 8.888 1.00 93.71 51 A 1 ATOM 420 O OE1 . GLU A 1 51 ? 0.503 15.124 9.234 1.00 88.69 51 A 1 ATOM 421 O OE2 . GLU A 1 51 ? 2.117 13.655 9.495 1.00 89.42 51 A 1 ATOM 422 N N . GLU A 1 52 ? 6.729 14.755 6.584 1.00 98.61 52 A 1 ATOM 423 C CA . GLU A 1 52 ? 8.189 14.824 6.729 1.00 98.36 52 A 1 ATOM 424 C C . GLU A 1 52 ? 8.868 15.575 5.574 1.00 98.33 52 A 1 ATOM 425 O O . GLU A 1 52 ? 9.874 16.256 5.775 1.00 97.58 52 A 1 ATOM 426 C CB . GLU A 1 52 ? 8.757 13.404 6.789 1.00 97.67 52 A 1 ATOM 427 C CG . GLU A 1 52 ? 8.436 12.662 8.096 1.00 87.29 52 A 1 ATOM 428 C CD . GLU A 1 52 ? 8.867 11.187 8.046 1.00 84.92 52 A 1 ATOM 429 O OE1 . GLU A 1 52 ? 8.470 10.423 8.951 1.00 78.77 52 A 1 ATOM 430 O OE2 . GLU A 1 52 ? 9.611 10.812 7.102 1.00 80.37 52 A 1 ATOM 431 N N . LEU A 1 53 ? 8.303 15.471 4.369 1.00 98.31 53 A 1 ATOM 432 C CA . LEU A 1 53 ? 8.774 16.186 3.182 1.00 98.02 53 A 1 ATOM 433 C C . LEU A 1 53 ? 8.243 17.629 3.092 1.00 98.08 53 A 1 ATOM 434 O O . LEU A 1 53 ? 8.657 18.368 2.197 1.00 97.46 53 A 1 ATOM 435 C CB . LEU A 1 53 ? 8.394 15.377 1.929 1.00 97.53 53 A 1 ATOM 436 C CG . LEU A 1 53 ? 9.117 14.022 1.777 1.00 95.57 53 A 1 ATOM 437 C CD1 . LEU A 1 53 ? 8.522 13.261 0.593 1.00 94.14 53 A 1 ATOM 438 C CD2 . LEU A 1 53 ? 10.617 14.189 1.543 1.00 93.99 53 A 1 ATOM 439 N N . GLY A 1 54 ? 7.294 18.018 3.955 1.00 98.42 54 A 1 ATOM 440 C CA . GLY A 1 54 ? 6.578 19.294 3.837 1.00 98.35 54 A 1 ATOM 441 C C . GLY A 1 54 ? 5.766 19.411 2.540 1.00 98.49 54 A 1 ATOM 442 O O . GLY A 1 54 ? 5.576 20.509 2.013 1.00 97.84 54 A 1 ATOM 443 N N . ASN A 1 55 ? 5.310 18.277 1.980 1.00 98.61 55 A 1 ATOM 444 C CA . ASN A 1 55 ? 4.620 18.241 0.695 1.00 98.65 55 A 1 ATOM 445 C C . ASN A 1 55 ? 3.095 18.224 0.884 1.00 98.74 55 A 1 ATOM 446 O O . ASN A 1 55 ? 2.457 17.168 0.947 1.00 98.63 55 A 1 ATOM 447 C CB . ASN A 1 55 ? 5.159 17.068 -0.138 1.00 98.43 55 A 1 ATOM 448 C CG . ASN A 1 55 ? 4.661 17.094 -1.577 1.00 98.06 55 A 1 ATOM 449 O OD1 . ASN A 1 55 ? 3.598 17.597 -1.916 1.00 95.71 55 A 1 ATOM 450 N ND2 . ASN A 1 55 ? 5.434 16.536 -2.483 1.00 94.49 55 A 1 ATOM 451 N N . GLU A 1 56 ? 2.488 19.407 0.897 1.00 98.75 56 A 1 ATOM 452 C CA . GLU A 1 56 ? 1.041 19.581 1.082 1.00 98.71 56 A 1 ATOM 453 C C . GLU A 1 56 ? 0.196 18.830 0.043 1.00 98.77 56 A 1 ATOM 454 O O . GLU A 1 56 ? -0.901 18.358 0.347 1.00 98.46 56 A 1 ATOM 455 C CB . GLU A 1 56 ? 0.674 21.068 1.003 1.00 98.29 56 A 1 ATOM 456 C CG . GLU A 1 56 ? 1.286 21.906 2.133 1.00 89.25 56 A 1 ATOM 457 C CD . GLU A 1 56 ? 0.790 23.363 2.125 1.00 75.27 56 A 1 ATOM 458 O OE1 . GLU A 1 56 ? 1.021 24.053 3.142 1.00 68.25 56 A 1 ATOM 459 O OE2 . GLU A 1 56 ? 0.180 23.778 1.111 1.00 68.84 56 A 1 ATOM 460 N N . LYS A 1 57 ? 0.705 18.665 -1.188 1.00 98.64 57 A 1 ATOM 461 C CA . LYS A 1 57 ? 0.003 17.913 -2.231 1.00 98.56 57 A 1 ATOM 462 C C . LYS A 1 57 ? -0.119 16.434 -1.859 1.00 98.70 57 A 1 ATOM 463 O O . LYS A 1 57 ? -1.192 15.854 -2.027 1.00 98.53 57 A 1 ATOM 464 C CB . LYS A 1 57 ? 0.713 18.111 -3.578 1.00 98.10 57 A 1 ATOM 465 C CG . LYS A 1 57 ? -0.028 17.407 -4.726 1.00 93.71 57 A 1 ATOM 466 C CD . LYS A 1 57 ? 0.739 17.576 -6.043 1.00 88.72 57 A 1 ATOM 467 C CE . LYS A 1 57 ? 0.024 16.808 -7.155 1.00 78.49 57 A 1 ATOM 468 N NZ . LYS A 1 57 ? 0.800 16.832 -8.422 1.00 71.02 57 A 1 ATOM 469 N N . ILE A 1 58 ? 0.949 15.815 -1.359 1.00 98.71 58 A 1 ATOM 470 C CA . ILE A 1 58 ? 0.938 14.418 -0.907 1.00 98.78 58 A 1 ATOM 471 C C . ILE A 1 58 ? 0.014 14.259 0.300 1.00 98.86 58 A 1 ATOM 472 O O . ILE A 1 58 ? -0.827 13.360 0.300 1.00 98.85 58 A 1 ATOM 473 C CB . ILE A 1 58 ? 2.369 13.919 -0.607 1.00 98.63 58 A 1 ATOM 474 C CG1 . ILE A 1 58 ? 3.259 13.909 -1.874 1.00 97.62 58 A 1 ATOM 475 C CG2 . ILE A 1 58 ? 2.362 12.532 0.048 1.00 97.97 58 A 1 ATOM 476 C CD1 . ILE A 1 58 ? 2.790 12.987 -3.002 1.00 89.75 58 A 1 ATOM 477 N N . ILE A 1 59 ? 0.097 15.170 1.278 1.00 98.87 59 A 1 ATOM 478 C CA . ILE A 1 59 ? -0.784 15.180 2.454 1.00 98.87 59 A 1 ATOM 479 C C . ILE A 1 59 ? -2.253 15.259 2.015 1.00 98.88 59 A 1 ATOM 480 O O . ILE A 1 59 ? -3.054 14.403 2.389 1.00 98.83 59 A 1 ATOM 481 C CB . ILE A 1 59 ? -0.407 16.342 3.401 1.00 98.81 59 A 1 ATOM 482 C CG1 . ILE A 1 59 ? 1.041 16.190 3.928 1.00 98.40 59 A 1 ATOM 483 C CG2 . ILE A 1 59 ? -1.392 16.416 4.580 1.00 98.40 59 A 1 ATOM 484 C CD1 . ILE A 1 59 ? 1.590 17.457 4.593 1.00 97.05 59 A 1 ATOM 485 N N . GLY A 1 60 ? -2.609 16.207 1.158 1.00 98.84 60 A 1 ATOM 486 C CA . GLY A 1 60 ? -3.983 16.391 0.679 1.00 98.79 60 A 1 ATOM 487 C C . GLY A 1 60 ? -4.534 15.195 -0.110 1.00 98.85 60 A 1 ATOM 488 O O . GLY A 1 60 ? -5.709 14.841 0.026 1.00 98.70 60 A 1 ATOM 489 N N . ILE A 1 61 ? -3.697 14.528 -0.914 1.00 98.84 61 A 1 ATOM 490 C CA . ILE A 1 61 ? -4.094 13.296 -1.613 1.00 98.84 61 A 1 ATOM 491 C C . ILE A 1 61 ? -4.302 12.156 -0.616 1.00 98.88 61 A 1 ATOM 492 O O . ILE A 1 61 ? -5.317 11.464 -0.710 1.00 98.85 61 A 1 ATOM 493 C CB . ILE A 1 61 ? -3.088 12.933 -2.726 1.00 98.71 61 A 1 ATOM 494 C CG1 . ILE A 1 61 ? -3.231 13.971 -3.860 1.00 97.53 61 A 1 ATOM 495 C CG2 . ILE A 1 61 ? -3.333 11.515 -3.277 1.00 97.54 61 A 1 ATOM 496 C CD1 . ILE A 1 61 ? -2.140 13.883 -4.920 1.00 90.23 61 A 1 ATOM 497 N N . ALA A 1 62 ? -3.406 11.981 0.352 1.00 98.88 62 A 1 ATOM 498 C CA . ALA A 1 62 ? -3.554 10.972 1.396 1.00 98.89 62 A 1 ATOM 499 C C . ALA A 1 62 ? -4.841 11.193 2.207 1.00 98.87 62 A 1 ATOM 500 O O . ALA A 1 62 ? -5.621 10.255 2.371 1.00 98.83 62 A 1 ATOM 501 C CB . ALA A 1 62 ? -2.302 10.978 2.278 1.00 98.89 62 A 1 ATOM 502 N N . ASP A 1 63 ? -5.146 12.428 2.605 1.00 98.85 63 A 1 ATOM 503 C CA . ASP A 1 63 ? -6.385 12.773 3.311 1.00 98.80 63 A 1 ATOM 504 C C . ASP A 1 63 ? -7.636 12.468 2.469 1.00 98.74 63 A 1 ATOM 505 O O . ASP A 1 63 ? -8.630 11.934 2.970 1.00 98.48 63 A 1 ATOM 506 C CB . ASP A 1 63 ? -6.358 14.257 3.719 1.00 98.69 63 A 1 ATOM 507 C CG . ASP A 1 63 ? -5.391 14.563 4.873 1.00 97.95 63 A 1 ATOM 508 O OD1 . ASP A 1 63 ? -5.082 13.646 5.667 1.00 96.14 63 A 1 ATOM 509 O OD2 . ASP A 1 63 ? -4.984 15.736 5.015 1.00 96.17 63 A 1 ATOM 510 N N . THR A 1 64 ? -7.584 12.719 1.153 1.00 98.67 64 A 1 ATOM 511 C CA . THR A 1 64 ? -8.684 12.379 0.230 1.00 98.50 64 A 1 ATOM 512 C C . THR A 1 64 ? -8.900 10.865 0.133 1.00 98.51 64 A 1 ATOM 513 O O . THR A 1 64 ? -10.041 10.390 0.125 1.00 98.28 64 A 1 ATOM 514 C CB . THR A 1 64 ? -8.418 12.950 -1.171 1.00 98.24 64 A 1 ATOM 515 O OG1 . THR A 1 64 ? -8.264 14.349 -1.113 1.00 95.87 64 A 1 ATOM 516 C CG2 . THR A 1 64 ? -9.577 12.690 -2.137 1.00 95.33 64 A 1 ATOM 517 N N . VAL A 1 65 ? -7.819 10.086 0.076 1.00 98.60 65 A 1 ATOM 518 C CA . VAL A 1 65 ? -7.871 8.617 0.050 1.00 98.61 65 A 1 ATOM 519 C C . VAL A 1 65 ? -8.410 8.078 1.380 1.00 98.52 65 A 1 ATOM 520 O O . VAL A 1 65 ? -9.346 7.276 1.370 1.00 98.40 65 A 1 ATOM 521 C CB . VAL A 1 65 ? -6.492 8.028 -0.304 1.00 98.61 65 A 1 ATOM 522 C CG1 . VAL A 1 65 ? -6.477 6.503 -0.184 1.00 98.28 65 A 1 ATOM 523 C CG2 . VAL A 1 65 ? -6.119 8.363 -1.754 1.00 98.28 65 A 1 ATOM 524 N N . LEU A 1 66 ? -7.924 8.574 2.519 1.00 98.57 66 A 1 ATOM 525 C CA . LEU A 1 66 ? -8.413 8.206 3.853 1.00 98.43 66 A 1 ATOM 526 C C . LEU A 1 66 ? -9.906 8.514 4.014 1.00 98.10 66 A 1 ATOM 527 O O . LEU A 1 66 ? -10.666 7.663 4.473 1.00 97.83 66 A 1 ATOM 528 C CB . LEU A 1 66 ? -7.597 8.950 4.925 1.00 98.47 66 A 1 ATOM 529 C CG . LEU A 1 66 ? -6.154 8.438 5.094 1.00 98.21 66 A 1 ATOM 530 C CD1 . LEU A 1 66 ? -5.373 9.380 6.005 1.00 97.95 66 A 1 ATOM 531 C CD2 . LEU A 1 66 ? -6.120 7.032 5.694 1.00 97.99 66 A 1 ATOM 532 N N . SER A 1 67 ? -10.356 9.682 3.554 1.00 98.22 67 A 1 ATOM 533 C CA . SER A 1 67 ? -11.777 10.046 3.551 1.00 97.78 67 A 1 ATOM 534 C C . SER A 1 67 ? -12.624 9.090 2.706 1.00 97.55 67 A 1 ATOM 535 O O . SER A 1 67 ? -13.767 8.790 3.060 1.00 96.99 67 A 1 ATOM 536 C CB . SER A 1 67 ? -11.933 11.477 3.030 1.00 97.20 67 A 1 ATOM 537 O OG . SER A 1 67 ? -13.302 11.855 2.987 1.00 79.97 67 A 1 ATOM 538 N N . THR A 1 68 ? -12.084 8.584 1.597 1.00 97.79 68 A 1 ATOM 539 C CA . THR A 1 68 ? -12.774 7.591 0.761 1.00 97.66 68 A 1 ATOM 540 C C . THR A 1 68 ? -12.894 6.251 1.484 1.00 97.56 68 A 1 ATOM 541 O O . THR A 1 68 ? -13.989 5.691 1.518 1.00 97.24 68 A 1 ATOM 542 C CB . THR A 1 68 ? -12.082 7.427 -0.599 1.00 97.60 68 A 1 ATOM 543 O OG1 . THR A 1 68 ? -12.088 8.671 -1.270 1.00 96.72 68 A 1 ATOM 544 C CG2 . THR A 1 68 ? -12.801 6.423 -1.500 1.00 96.69 68 A 1 ATOM 545 N N . ILE A 1 69 ? -11.826 5.766 2.116 1.00 97.78 69 A 1 ATOM 546 C CA . ILE A 1 69 ? -11.832 4.526 2.909 1.00 97.65 69 A 1 ATOM 547 C C . ILE A 1 69 ? -12.825 4.645 4.074 1.00 97.23 69 A 1 ATOM 548 O O . ILE A 1 69 ? -13.658 3.757 4.267 1.00 96.84 69 A 1 ATOM 549 C CB . ILE A 1 69 ? -10.406 4.177 3.400 1.00 97.91 69 A 1 ATOM 550 C CG1 . ILE A 1 69 ? -9.469 3.907 2.200 1.00 97.75 69 A 1 ATOM 551 C CG2 . ILE A 1 69 ? -10.439 2.953 4.337 1.00 97.77 69 A 1 ATOM 552 C CD1 . ILE A 1 69 ? -7.987 3.779 2.566 1.00 97.43 69 A 1 ATOM 553 N N . GLU A 1 70 ? -12.818 5.763 4.795 1.00 97.44 70 A 1 ATOM 554 C CA . GLU A 1 70 ? -13.758 6.020 5.887 1.00 96.93 70 A 1 ATOM 555 C C . GLU A 1 70 ? -15.213 6.018 5.400 1.00 96.55 70 A 1 ATOM 556 O O . GLU A 1 70 ? -16.069 5.357 5.988 1.00 96.11 70 A 1 ATOM 557 C CB . GLU A 1 70 ? -13.404 7.355 6.567 1.00 96.46 70 A 1 ATOM 558 C CG . GLU A 1 70 ? -14.240 7.640 7.833 1.00 86.73 70 A 1 ATOM 559 C CD . GLU A 1 70 ? -14.089 6.544 8.913 1.00 78.97 70 A 1 ATOM 560 O OE1 . GLU A 1 70 ? -15.061 6.252 9.643 1.00 71.95 70 A 1 ATOM 561 O OE2 . GLU A 1 70 ? -13.008 5.922 9.014 1.00 72.26 70 A 1 ATOM 562 N N . ALA A 1 71 ? -15.503 6.666 4.271 1.00 96.86 71 A 1 ATOM 563 C CA . ALA A 1 71 ? -16.842 6.677 3.686 1.00 96.42 71 A 1 ATOM 564 C C . ALA A 1 71 ? -17.325 5.268 3.299 1.00 96.23 71 A 1 ATOM 565 O O . ALA A 1 71 ? -18.509 4.962 3.451 1.00 95.51 71 A 1 ATOM 566 C CB . ALA A 1 71 ? -16.845 7.618 2.476 1.00 96.07 71 A 1 ATOM 567 N N . HIS A 1 72 ? -16.424 4.394 2.827 1.00 96.18 72 A 1 ATOM 568 C CA . HIS A 1 72 ? -16.745 2.988 2.561 1.00 95.99 72 A 1 ATOM 569 C C . HIS A 1 72 ? -17.001 2.209 3.852 1.00 95.84 72 A 1 ATOM 570 O O . HIS A 1 72 ? -17.958 1.439 3.908 1.00 94.66 72 A 1 ATOM 571 C CB . HIS A 1 72 ? -15.636 2.341 1.726 1.00 95.80 72 A 1 ATOM 572 C CG . HIS A 1 72 ? -15.848 2.527 0.252 1.00 95.45 72 A 1 ATOM 573 N ND1 . HIS A 1 72 ? -16.454 1.613 -0.595 1.00 88.75 72 A 1 ATOM 574 C CD2 . HIS A 1 72 ? -15.514 3.618 -0.504 1.00 89.24 72 A 1 ATOM 575 C CE1 . HIS A 1 72 ? -16.470 2.143 -1.827 1.00 90.24 72 A 1 ATOM 576 N NE2 . HIS A 1 72 ? -15.914 3.359 -1.811 1.00 91.39 72 A 1 ATOM 577 N N . SER A 1 73 ? -16.230 2.442 4.917 1.00 95.36 73 A 1 ATOM 578 C CA . SER A 1 73 ? -16.430 1.775 6.211 1.00 94.68 73 A 1 ATOM 579 C C . SER A 1 73 ? -17.778 2.120 6.863 1.00 94.70 73 A 1 ATOM 580 O O . SER A 1 73 ? -18.355 1.307 7.579 1.00 93.86 73 A 1 ATOM 581 C CB . SER A 1 73 ? -15.276 2.106 7.167 1.00 93.98 73 A 1 ATOM 582 O OG . SER A 1 73 ? -15.420 3.381 7.766 1.00 86.23 73 A 1 ATOM 583 N N . GLN A 1 74 ? -18.304 3.306 6.586 1.00 94.73 74 A 1 ATOM 584 C CA . GLN A 1 74 ? -19.598 3.784 7.088 1.00 94.43 74 A 1 ATOM 585 C C . GLN A 1 74 ? -20.768 3.442 6.153 1.00 94.52 74 A 1 ATOM 586 O O . GLN A 1 74 ? -21.934 3.694 6.487 1.00 92.92 74 A 1 ATOM 587 C CB . GLN A 1 74 ? -19.513 5.296 7.301 1.00 93.52 74 A 1 ATOM 588 C CG . GLN A 1 74 ? -18.499 5.685 8.392 1.00 90.21 74 A 1 ATOM 589 C CD . GLN A 1 74 ? -18.378 7.203 8.559 1.00 85.52 74 A 1 ATOM 590 O OE1 . GLN A 1 74 ? -19.132 7.989 8.006 1.00 78.74 74 A 1 ATOM 591 N NE2 . GLN A 1 74 ? -17.433 7.665 9.342 1.00 76.36 74 A 1 ATOM 592 N N . ALA A 1 75 ? -20.489 2.894 4.974 1.00 94.48 75 A 1 ATOM 593 C CA . ALA A 1 75 ? -21.511 2.543 4.007 1.00 94.56 75 A 1 ATOM 594 C C . ALA A 1 75 ? -22.386 1.396 4.533 1.00 94.80 75 A 1 ATOM 595 O O . ALA A 1 75 ? -21.954 0.492 5.244 1.00 93.39 75 A 1 ATOM 596 C CB . ALA A 1 75 ? -20.865 2.213 2.659 1.00 93.55 75 A 1 ATOM 597 N N . THR A 1 76 ? -23.660 1.432 4.154 1.00 95.09 76 A 1 ATOM 598 C CA . THR A 1 76 ? -24.632 0.391 4.490 1.00 95.46 76 A 1 ATOM 599 C C . THR A 1 76 ? -25.348 -0.048 3.223 1.00 95.52 76 A 1 ATOM 600 O O . THR A 1 76 ? -25.356 0.672 2.220 1.00 93.96 76 A 1 ATOM 601 C CB . THR A 1 76 ? -25.648 0.868 5.539 1.00 94.75 76 A 1 ATOM 602 O OG1 . THR A 1 76 ? -26.436 1.921 5.030 1.00 91.21 76 A 1 ATOM 603 C CG2 . THR A 1 76 ? -24.996 1.360 6.835 1.00 89.83 76 A 1 ATOM 604 N N . TYR A 1 77 ? -26.023 -1.202 3.282 1.00 94.55 77 A 1 ATOM 605 C CA . TYR A 1 77 ? -26.836 -1.673 2.155 1.00 94.47 77 A 1 ATOM 606 C C . TYR A 1 77 ? -27.859 -0.625 1.670 1.00 94.77 77 A 1 ATOM 607 O O . TYR A 1 77 ? -28.112 -0.493 0.477 1.00 93.20 77 A 1 ATOM 608 C CB . TYR A 1 77 ? -27.546 -2.966 2.577 1.00 94.01 77 A 1 ATOM 609 C CG . TYR A 1 77 ? -28.385 -3.560 1.464 1.00 87.73 77 A 1 ATOM 610 C CD1 . TYR A 1 77 ? -29.772 -3.318 1.405 1.00 83.92 77 A 1 ATOM 611 C CD2 . TYR A 1 77 ? -27.766 -4.328 0.454 1.00 83.95 77 A 1 ATOM 612 C CE1 . TYR A 1 77 ? -30.540 -3.838 0.345 1.00 79.10 77 A 1 ATOM 613 C CE2 . TYR A 1 77 ? -28.528 -4.848 -0.607 1.00 79.96 77 A 1 ATOM 614 C CZ . TYR A 1 77 ? -29.912 -4.598 -0.655 1.00 77.89 77 A 1 ATOM 615 O OH . TYR A 1 77 ? -30.659 -5.100 -1.697 1.00 75.82 77 A 1 ATOM 616 N N . ARG A 1 78 ? -28.417 0.170 2.597 1.00 94.11 78 A 1 ATOM 617 C CA . ARG A 1 78 ? -29.374 1.245 2.269 1.00 94.67 78 A 1 ATOM 618 C C . ARG A 1 78 ? -28.713 2.540 1.789 1.00 94.96 78 A 1 ATOM 619 O O . ARG A 1 78 ? -29.388 3.375 1.191 1.00 93.22 78 A 1 ATOM 620 C CB . ARG A 1 78 ? -30.263 1.541 3.484 1.00 94.32 78 A 1 ATOM 621 C CG . ARG A 1 78 ? -31.186 0.370 3.847 1.00 83.76 78 A 1 ATOM 622 C CD . ARG A 1 78 ? -32.112 0.788 4.995 1.00 81.48 78 A 1 ATOM 623 N NE . ARG A 1 78 ? -33.028 -0.302 5.374 1.00 71.43 78 A 1 ATOM 624 C CZ . ARG A 1 78 ? -33.916 -0.269 6.363 1.00 63.49 78 A 1 ATOM 625 N NH1 . ARG A 1 78 ? -34.066 0.786 7.121 1.00 57.02 78 A 1 ATOM 626 N NH2 . ARG A 1 78 ? -34.670 -1.304 6.601 1.00 55.15 78 A 1 ATOM 627 N N . ARG A 1 79 ? -27.445 2.739 2.096 1.00 94.56 79 A 1 ATOM 628 C CA . ARG A 1 79 ? -26.649 3.917 1.728 1.00 94.72 79 A 1 ATOM 629 C C . ARG A 1 79 ? -25.266 3.467 1.254 1.00 95.04 79 A 1 ATOM 630 O O . ARG A 1 79 ? -24.285 3.628 1.985 1.00 93.30 79 A 1 ATOM 631 C CB . ARG A 1 79 ? -26.558 4.902 2.905 1.00 92.55 79 A 1 ATOM 632 C CG . ARG A 1 79 ? -27.908 5.531 3.260 1.00 80.82 79 A 1 ATOM 633 C CD . ARG A 1 79 ? -27.713 6.564 4.368 1.00 77.77 79 A 1 ATOM 634 N NE . ARG A 1 79 ? -28.987 7.205 4.740 1.00 67.84 79 A 1 ATOM 635 C CZ . ARG A 1 79 ? -29.150 8.089 5.715 1.00 60.22 79 A 1 ATOM 636 N NH1 . ARG A 1 79 ? -28.152 8.476 6.464 1.00 54.89 79 A 1 ATOM 637 N NH2 . ARG A 1 79 ? -30.330 8.596 5.951 1.00 52.24 79 A 1 ATOM 638 N N . PRO A 1 80 ? -25.185 2.860 0.061 1.00 94.62 80 A 1 ATOM 639 C CA . PRO A 1 80 ? -23.913 2.419 -0.495 1.00 94.43 80 A 1 ATOM 640 C C . PRO A 1 80 ? -23.019 3.624 -0.806 1.00 94.93 80 A 1 ATOM 641 O O . PRO A 1 80 ? -23.498 4.706 -1.161 1.00 93.15 80 A 1 ATOM 642 C CB . PRO A 1 80 ? -24.278 1.606 -1.740 1.00 92.95 80 A 1 ATOM 643 C CG . PRO A 1 80 ? -25.607 2.215 -2.188 1.00 91.67 80 A 1 ATOM 644 C CD . PRO A 1 80 ? -26.273 2.603 -0.876 1.00 93.52 80 A 1 ATOM 645 N N . CYS A 1 81 ? -21.704 3.428 -0.684 1.00 94.52 81 A 1 ATOM 646 C CA . CYS A 1 81 ? -20.704 4.403 -1.104 1.00 95.01 81 A 1 ATOM 647 C C . CYS A 1 81 ? -20.176 4.028 -2.490 1.00 94.74 81 A 1 ATOM 648 O O . CYS A 1 81 ? -19.698 2.917 -2.694 1.00 93.19 81 A 1 ATOM 649 C CB . CYS A 1 81 ? -19.588 4.472 -0.057 1.00 94.10 81 A 1 ATOM 650 S SG . CYS A 1 81 ? -18.426 5.792 -0.511 1.00 93.52 81 A 1 ATOM 651 N N . TYR A 1 82 ? -20.232 4.967 -3.426 1.00 94.07 82 A 1 ATOM 652 C CA . TYR A 1 82 ? -19.715 4.790 -4.789 1.00 93.97 82 A 1 ATOM 653 C C . TYR A 1 82 ? -18.404 5.544 -5.037 1.00 94.36 82 A 1 ATOM 654 O O . TYR A 1 82 ? -17.886 5.533 -6.157 1.00 92.04 82 A 1 ATOM 655 C CB . TYR A 1 82 ? -20.787 5.211 -5.794 1.00 92.43 82 A 1 ATOM 656 C CG . TYR A 1 82 ? -22.069 4.415 -5.687 1.00 89.61 82 A 1 ATOM 657 C CD1 . TYR A 1 82 ? -22.116 3.089 -6.155 1.00 85.17 82 A 1 ATOM 658 C CD2 . TYR A 1 82 ? -23.220 4.994 -5.124 1.00 84.60 82 A 1 ATOM 659 C CE1 . TYR A 1 82 ? -23.305 2.350 -6.078 1.00 81.96 82 A 1 ATOM 660 C CE2 . TYR A 1 82 ? -24.417 4.260 -5.040 1.00 81.76 82 A 1 ATOM 661 C CZ . TYR A 1 82 ? -24.452 2.942 -5.527 1.00 80.89 82 A 1 ATOM 662 O OH . TYR A 1 82 ? -25.624 2.225 -5.465 1.00 78.33 82 A 1 ATOM 663 N N . LYS A 1 83 ? -17.852 6.213 -4.011 1.00 94.06 83 A 1 ATOM 664 C CA . LYS A 1 83 ? -16.551 6.865 -4.129 1.00 94.61 83 A 1 ATOM 665 C C . LYS A 1 83 ? -15.487 5.806 -4.404 1.00 95.34 83 A 1 ATOM 666 O O . LYS A 1 83 ? -15.547 4.702 -3.865 1.00 94.23 83 A 1 ATOM 667 C CB . LYS A 1 83 ? -16.198 7.663 -2.869 1.00 93.24 83 A 1 ATOM 668 C CG . LYS A 1 83 ? -17.121 8.871 -2.634 1.00 86.33 83 A 1 ATOM 669 C CD . LYS A 1 83 ? -16.632 9.645 -1.406 1.00 83.68 83 A 1 ATOM 670 C CE . LYS A 1 83 ? -17.473 10.895 -1.145 1.00 75.08 83 A 1 ATOM 671 N NZ . LYS A 1 83 ? -16.936 11.662 0.010 1.00 67.36 83 A 1 ATOM 672 N N . ARG A 1 84 ? -14.509 6.146 -5.232 1.00 95.77 84 A 1 ATOM 673 C CA . ARG A 1 84 ? -13.379 5.264 -5.529 1.00 96.01 84 A 1 ATOM 674 C C . ARG A 1 84 ? -12.076 6.021 -5.369 1.00 97.18 84 A 1 ATOM 675 O O . ARG A 1 84 ? -11.987 7.197 -5.720 1.00 96.51 84 A 1 ATOM 676 C CB . ARG A 1 84 ? -13.505 4.655 -6.930 1.00 93.68 84 A 1 ATOM 677 C CG . ARG A 1 84 ? -14.715 3.704 -7.027 1.00 82.67 84 A 1 ATOM 678 C CD . ARG A 1 84 ? -14.677 2.908 -8.328 1.00 75.76 84 A 1 ATOM 679 N NE . ARG A 1 84 ? -15.813 1.972 -8.413 1.00 66.74 84 A 1 ATOM 680 C CZ . ARG A 1 84 ? -15.856 0.845 -9.109 1.00 58.65 84 A 1 ATOM 681 N NH1 . ARG A 1 84 ? -14.845 0.439 -9.831 1.00 53.77 84 A 1 ATOM 682 N NH2 . ARG A 1 84 ? -16.928 0.102 -9.087 1.00 49.95 84 A 1 ATOM 683 N N . ILE A 1 85 ? -11.080 5.305 -4.866 1.00 96.96 85 A 1 ATOM 684 C CA . ILE A 1 85 ? -9.691 5.741 -4.930 1.00 97.37 85 A 1 ATOM 685 C C . ILE A 1 85 ? -9.261 5.619 -6.392 1.00 97.37 85 A 1 ATOM 686 O O . ILE A 1 85 ? -9.505 4.595 -7.036 1.00 96.91 85 A 1 ATOM 687 C CB . ILE A 1 85 ? -8.813 4.899 -3.988 1.00 97.43 85 A 1 ATOM 688 C CG1 . ILE A 1 85 ? -9.342 4.936 -2.534 1.00 96.70 85 A 1 ATOM 689 C CG2 . ILE A 1 85 ? -7.369 5.418 -4.044 1.00 96.04 85 A 1 ATOM 690 C CD1 . ILE A 1 85 ? -8.669 3.916 -1.614 1.00 96.52 85 A 1 ATOM 691 N N . THR A 1 86 ? -8.681 6.671 -6.940 1.00 97.52 86 A 1 ATOM 692 C CA . THR A 1 86 ? -8.269 6.679 -8.345 1.00 97.45 86 A 1 ATOM 693 C C . THR A 1 86 ? -6.859 6.115 -8.500 1.00 97.64 86 A 1 ATOM 694 O O . THR A 1 86 ? -6.017 6.261 -7.615 1.00 97.57 86 A 1 ATOM 695 C CB . THR A 1 86 ? -8.360 8.078 -8.971 1.00 97.20 86 A 1 ATOM 696 O OG1 . THR A 1 86 ? -7.416 8.950 -8.411 1.00 95.48 86 A 1 ATOM 697 C CG2 . THR A 1 86 ? -9.744 8.710 -8.801 1.00 94.56 86 A 1 ATOM 698 N N . THR A 1 87 ? -6.565 5.540 -9.670 1.00 97.45 87 A 1 ATOM 699 C CA . THR A 1 87 ? -5.211 5.069 -10.007 1.00 97.24 87 A 1 ATOM 700 C C . THR A 1 87 ? -4.176 6.192 -9.926 1.00 97.74 87 A 1 ATOM 701 O O . THR A 1 87 ? -3.049 5.957 -9.511 1.00 97.61 87 A 1 ATOM 702 C CB . THR A 1 87 ? -5.191 4.471 -11.419 1.00 95.88 87 A 1 ATOM 703 O OG1 . THR A 1 87 ? -6.257 3.560 -11.562 1.00 85.11 87 A 1 ATOM 704 C CG2 . THR A 1 87 ? -3.899 3.727 -11.734 1.00 82.97 87 A 1 ATOM 705 N N . ALA A 1 88 ? -4.553 7.424 -10.265 1.00 97.91 88 A 1 ATOM 706 C CA . ALA A 1 88 ? -3.649 8.572 -10.149 1.00 98.06 88 A 1 ATOM 707 C C . ALA A 1 88 ? -3.269 8.875 -8.685 1.00 98.30 88 A 1 ATOM 708 O O . ALA A 1 88 ? -2.114 9.196 -8.404 1.00 97.97 88 A 1 ATOM 709 C CB . ALA A 1 88 ? -4.315 9.782 -10.812 1.00 97.71 88 A 1 ATOM 710 N N . GLN A 1 89 ? -4.222 8.734 -7.758 1.00 98.23 89 A 1 ATOM 711 C CA . GLN A 1 89 ? -3.965 8.903 -6.324 1.00 98.38 89 A 1 ATOM 712 C C . GLN A 1 89 ? -3.028 7.807 -5.806 1.00 98.51 89 A 1 ATOM 713 O O . GLN A 1 89 ? -1.992 8.125 -5.220 1.00 98.51 89 A 1 ATOM 714 C CB . GLN A 1 89 ? -5.289 8.880 -5.544 1.00 98.29 89 A 1 ATOM 715 C CG . GLN A 1 89 ? -6.113 10.164 -5.721 1.00 97.77 89 A 1 ATOM 716 C CD . GLN A 1 89 ? -7.562 9.998 -5.257 1.00 97.61 89 A 1 ATOM 717 O OE1 . GLN A 1 89 ? -8.162 8.944 -5.362 1.00 94.35 89 A 1 ATOM 718 N NE2 . GLN A 1 89 ? -8.187 11.040 -4.755 1.00 93.36 89 A 1 ATOM 719 N N . THR A 1 90 ? -3.345 6.533 -6.069 1.00 98.39 90 A 1 ATOM 720 C CA . THR A 1 90 ? -2.513 5.416 -5.596 1.00 98.31 90 A 1 ATOM 721 C C . THR A 1 90 ? -1.133 5.430 -6.237 1.00 98.48 90 A 1 ATOM 722 O O . THR A 1 90 ? -0.157 5.180 -5.543 1.00 98.39 90 A 1 ATOM 723 C CB . THR A 1 90 ? -3.162 4.046 -5.833 1.00 97.66 90 A 1 ATOM 724 O OG1 . THR A 1 90 ? -3.448 3.833 -7.197 1.00 94.92 90 A 1 ATOM 725 C CG2 . THR A 1 90 ? -4.473 3.907 -5.063 1.00 95.29 90 A 1 ATOM 726 N N . HIS A 1 91 ? -1.020 5.786 -7.516 1.00 98.48 91 A 1 ATOM 727 C CA . HIS A 1 91 ? 0.276 5.870 -8.187 1.00 98.48 91 A 1 ATOM 728 C C . HIS A 1 91 ? 1.181 6.918 -7.543 1.00 98.62 91 A 1 ATOM 729 O O . HIS A 1 91 ? 2.325 6.614 -7.212 1.00 98.53 91 A 1 ATOM 730 C CB . HIS A 1 91 ? 0.069 6.155 -9.672 1.00 98.14 91 A 1 ATOM 731 C CG . HIS A 1 91 ? 1.357 6.116 -10.445 1.00 96.87 91 A 1 ATOM 732 N ND1 . HIS A 1 91 ? 2.045 4.979 -10.819 1.00 86.79 91 A 1 ATOM 733 C CD2 . HIS A 1 91 ? 2.092 7.187 -10.885 1.00 87.55 91 A 1 ATOM 734 C CE1 . HIS A 1 91 ? 3.159 5.358 -11.465 1.00 89.09 91 A 1 ATOM 735 N NE2 . HIS A 1 91 ? 3.220 6.692 -11.527 1.00 90.67 91 A 1 ATOM 736 N N . LEU A 1 92 ? 0.672 8.131 -7.300 1.00 98.57 92 A 1 ATOM 737 C CA . LEU A 1 92 ? 1.493 9.191 -6.706 1.00 98.57 92 A 1 ATOM 738 C C . LEU A 1 92 ? 1.944 8.848 -5.277 1.00 98.76 92 A 1 ATOM 739 O O . LEU A 1 92 ? 3.107 9.065 -4.930 1.00 98.66 92 A 1 ATOM 740 C CB . LEU A 1 92 ? 0.715 10.514 -6.749 1.00 98.05 92 A 1 ATOM 741 C CG . LEU A 1 92 ? 1.571 11.719 -6.302 1.00 83.40 92 A 1 ATOM 742 C CD1 . LEU A 1 92 ? 2.699 12.019 -7.286 1.00 79.71 92 A 1 ATOM 743 C CD2 . LEU A 1 92 ? 0.705 12.968 -6.220 1.00 80.08 92 A 1 ATOM 744 N N . LEU A 1 93 ? 1.039 8.292 -4.460 1.00 98.66 93 A 1 ATOM 745 C CA . LEU A 1 93 ? 1.385 7.863 -3.103 1.00 98.81 93 A 1 ATOM 746 C C . LEU A 1 93 ? 2.351 6.668 -3.113 1.00 98.85 93 A 1 ATOM 747 O O . LEU A 1 93 ? 3.278 6.637 -2.308 1.00 98.83 93 A 1 ATOM 748 C CB . LEU A 1 93 ? 0.109 7.537 -2.311 1.00 98.82 93 A 1 ATOM 749 C CG . LEU A 1 93 ? -0.867 8.711 -2.084 1.00 98.58 93 A 1 ATOM 750 C CD1 . LEU A 1 93 ? -2.048 8.232 -1.239 1.00 98.47 93 A 1 ATOM 751 C CD2 . LEU A 1 93 ? -0.222 9.903 -1.378 1.00 98.41 93 A 1 ATOM 752 N N . ALA A 1 94 ? 2.189 5.718 -4.041 1.00 98.79 94 A 1 ATOM 753 C CA . ALA A 1 94 ? 3.093 4.576 -4.181 1.00 98.80 94 A 1 ATOM 754 C C . ALA A 1 94 ? 4.507 5.012 -4.574 1.00 98.83 94 A 1 ATOM 755 O O . ALA A 1 94 ? 5.465 4.585 -3.940 1.00 98.81 94 A 1 ATOM 756 C CB . ALA A 1 94 ? 2.524 3.586 -5.201 1.00 98.70 94 A 1 ATOM 757 N N . VAL A 1 95 ? 4.642 5.906 -5.558 1.00 98.73 95 A 1 ATOM 758 C CA . VAL A 1 95 ? 5.944 6.476 -5.939 1.00 98.64 95 A 1 ATOM 759 C C . VAL A 1 95 ? 6.591 7.170 -4.742 1.00 98.70 95 A 1 ATOM 760 O O . VAL A 1 95 ? 7.746 6.894 -4.435 1.00 98.56 95 A 1 ATOM 761 C CB . VAL A 1 95 ? 5.798 7.431 -7.140 1.00 98.27 95 A 1 ATOM 762 C CG1 . VAL A 1 95 ? 7.082 8.216 -7.428 1.00 96.26 95 A 1 ATOM 763 C CG2 . VAL A 1 95 ? 5.458 6.640 -8.409 1.00 96.50 95 A 1 ATOM 764 N N . THR A 1 96 ? 5.831 7.970 -3.987 1.00 98.72 96 A 1 ATOM 765 C CA . THR A 1 96 ? 6.340 8.650 -2.781 1.00 98.68 96 A 1 ATOM 766 C C . THR A 1 96 ? 6.849 7.656 -1.727 1.00 98.77 96 A 1 ATOM 767 O O . THR A 1 96 ? 7.908 7.861 -1.130 1.00 98.61 96 A 1 ATOM 768 C CB . THR A 1 96 ? 5.240 9.524 -2.158 1.00 98.41 96 A 1 ATOM 769 O OG1 . THR A 1 96 ? 4.753 10.455 -3.105 1.00 95.80 96 A 1 ATOM 770 C CG2 . THR A 1 96 ? 5.727 10.334 -0.956 1.00 96.17 96 A 1 ATOM 771 N N . LEU A 1 97 ? 6.120 6.558 -1.501 1.00 98.81 97 A 1 ATOM 772 C CA . LEU A 1 97 ? 6.545 5.506 -0.576 1.00 98.85 97 A 1 ATOM 773 C C . LEU A 1 97 ? 7.804 4.788 -1.072 1.00 98.82 97 A 1 ATOM 774 O O . LEU A 1 97 ? 8.727 4.566 -0.289 1.00 98.73 97 A 1 ATOM 775 C CB . LEU A 1 97 ? 5.398 4.500 -0.374 1.00 98.86 97 A 1 ATOM 776 C CG . LEU A 1 97 ? 4.249 5.012 0.513 1.00 98.69 97 A 1 ATOM 777 C CD1 . LEU A 1 97 ? 3.101 4.006 0.488 1.00 98.55 97 A 1 ATOM 778 C CD2 . LEU A 1 97 ? 4.699 5.193 1.965 1.00 98.49 97 A 1 ATOM 779 N N . LEU A 1 98 ? 7.869 4.444 -2.357 1.00 98.77 98 A 1 ATOM 780 C CA . LEU A 1 98 ? 9.007 3.727 -2.934 1.00 98.70 98 A 1 ATOM 781 C C . LEU A 1 98 ? 10.267 4.596 -3.014 1.00 98.54 98 A 1 ATOM 782 O O . LEU A 1 98 ? 11.356 4.080 -2.784 1.00 98.10 98 A 1 ATOM 783 C CB . LEU A 1 98 ? 8.620 3.167 -4.307 1.00 98.60 98 A 1 ATOM 784 C CG . LEU A 1 98 ? 7.583 2.031 -4.244 1.00 98.21 98 A 1 ATOM 785 C CD1 . LEU A 1 98 ? 7.162 1.651 -5.658 1.00 97.73 98 A 1 ATOM 786 C CD2 . LEU A 1 98 ? 8.125 0.778 -3.546 1.00 97.64 98 A 1 ATOM 787 N N . GLU A 1 99 ? 10.138 5.902 -3.237 1.00 98.59 99 A 1 ATOM 788 C CA . GLU A 1 99 ? 11.263 6.842 -3.135 1.00 98.36 99 A 1 ATOM 789 C C . GLU A 1 99 ? 11.832 6.899 -1.711 1.00 98.23 99 A 1 ATOM 790 O O . GLU A 1 99 ? 13.044 7.007 -1.526 1.00 97.41 99 A 1 ATOM 791 C CB . GLU A 1 99 ? 10.808 8.247 -3.558 1.00 97.92 99 A 1 ATOM 792 C CG . GLU A 1 99 ? 10.659 8.387 -5.080 1.00 90.03 99 A 1 ATOM 793 C CD . GLU A 1 99 ? 10.136 9.773 -5.513 1.00 80.98 99 A 1 ATOM 794 O OE1 . GLU A 1 99 ? 10.127 10.021 -6.741 1.00 74.75 99 A 1 ATOM 795 O OE2 . GLU A 1 99 ? 9.746 10.582 -4.638 1.00 76.20 99 A 1 ATOM 796 N N . ARG A 1 100 ? 10.962 6.782 -0.688 1.00 98.58 100 A 1 ATOM 797 C CA . ARG A 1 100 ? 11.398 6.802 0.715 1.00 98.50 100 A 1 ATOM 798 C C . ARG A 1 100 ? 11.944 5.457 1.193 1.00 98.57 100 A 1 ATOM 799 O O . ARG A 1 100 ? 12.957 5.426 1.891 1.00 98.18 100 A 1 ATOM 800 C CB . ARG A 1 100 ? 10.245 7.289 1.610 1.00 97.99 100 A 1 ATOM 801 C CG . ARG A 1 100 ? 10.607 7.274 3.117 1.00 94.43 100 A 1 ATOM 802 C CD . ARG A 1 100 ? 11.857 8.114 3.464 1.00 88.68 100 A 1 ATOM 803 N NE . ARG A 1 100 ? 11.563 9.561 3.384 1.00 81.63 100 A 1 ATOM 804 C CZ . ARG A 1 100 ? 11.310 10.338 4.423 1.00 73.90 100 A 1 ATOM 805 N NH1 . ARG A 1 100 ? 11.418 9.911 5.638 1.00 67.12 100 A 1 ATOM 806 N NH2 . ARG A 1 100 ? 10.917 11.565 4.269 1.00 67.57 100 A 1 ATOM 807 N N . PHE A 1 101 ? 11.252 4.360 0.884 1.00 98.61 101 A 1 ATOM 808 C CA . PHE A 1 101 ? 11.525 3.034 1.453 1.00 98.58 101 A 1 ATOM 809 C C . PHE A 1 101 ? 12.266 2.091 0.496 1.00 98.38 101 A 1 ATOM 810 O O . PHE A 1 101 ? 12.784 1.061 0.929 1.00 97.17 101 A 1 ATOM 811 C CB . PHE A 1 101 ? 10.216 2.427 1.969 1.00 98.57 101 A 1 ATOM 812 C CG . PHE A 1 101 ? 9.611 3.186 3.130 1.00 98.67 101 A 1 ATOM 813 C CD1 . PHE A 1 101 ? 10.189 3.098 4.408 1.00 98.34 101 A 1 ATOM 814 C CD2 . PHE A 1 101 ? 8.487 4.008 2.941 1.00 98.36 101 A 1 ATOM 815 C CE1 . PHE A 1 101 ? 9.655 3.821 5.484 1.00 97.96 101 A 1 ATOM 816 C CE2 . PHE A 1 101 ? 7.950 4.738 4.013 1.00 97.99 101 A 1 ATOM 817 C CZ . PHE A 1 101 ? 8.539 4.645 5.286 1.00 98.08 101 A 1 ATOM 818 N N . GLY A 1 102 ? 12.326 2.410 -0.784 1.00 98.09 102 A 1 ATOM 819 C CA . GLY A 1 102 ? 13.061 1.678 -1.818 1.00 97.75 102 A 1 ATOM 820 C C . GLY A 1 102 ? 12.361 0.429 -2.365 1.00 97.93 102 A 1 ATOM 821 O O . GLY A 1 102 ? 12.570 0.086 -3.527 1.00 96.48 102 A 1 ATOM 822 N N . SER A 1 103 ? 11.534 -0.260 -1.567 1.00 98.39 103 A 1 ATOM 823 C CA . SER A 1 103 ? 10.839 -1.472 -2.011 1.00 98.51 103 A 1 ATOM 824 C C . SER A 1 103 ? 9.519 -1.703 -1.277 1.00 98.71 103 A 1 ATOM 825 O O . SER A 1 103 ? 9.324 -1.227 -0.155 1.00 98.66 103 A 1 ATOM 826 C CB . SER A 1 103 ? 11.751 -2.693 -1.839 1.00 98.10 103 A 1 ATOM 827 O OG . SER A 1 103 ? 11.948 -3.007 -0.469 1.00 97.26 103 A 1 ATOM 828 N N . ALA A 1 104 ? 8.643 -2.520 -1.875 1.00 98.53 104 A 1 ATOM 829 C CA . ALA A 1 104 ? 7.413 -2.990 -1.246 1.00 98.63 104 A 1 ATOM 830 C C . ALA A 1 104 ? 7.676 -3.718 0.080 1.00 98.71 104 A 1 ATOM 831 O O . ALA A 1 104 ? 6.967 -3.489 1.059 1.00 98.65 104 A 1 ATOM 832 C CB . ALA A 1 104 ? 6.693 -3.901 -2.239 1.00 98.44 104 A 1 ATOM 833 N N . ARG A 1 105 ? 8.743 -4.521 0.160 1.00 98.54 105 A 1 ATOM 834 C CA . ARG A 1 105 ? 9.145 -5.202 1.406 1.00 98.57 105 A 1 ATOM 835 C C . ARG A 1 105 ? 9.451 -4.213 2.527 1.00 98.61 105 A 1 ATOM 836 O O . ARG A 1 105 ? 9.043 -4.423 3.666 1.00 98.48 105 A 1 ATOM 837 C CB . ARG A 1 105 ? 10.366 -6.105 1.166 1.00 98.37 105 A 1 ATOM 838 C CG . ARG A 1 105 ? 10.010 -7.348 0.342 1.00 97.72 105 A 1 ATOM 839 C CD . ARG A 1 105 ? 11.204 -8.294 0.261 1.00 97.02 105 A 1 ATOM 840 N NE . ARG A 1 105 ? 10.838 -9.576 -0.367 1.00 96.26 105 A 1 ATOM 841 C CZ . ARG A 1 105 ? 11.151 -10.793 0.056 1.00 96.58 105 A 1 ATOM 842 N NH1 . ARG A 1 105 ? 11.903 -11.030 1.090 1.00 93.73 105 A 1 ATOM 843 N NH2 . ARG A 1 105 ? 10.685 -11.819 -0.576 1.00 94.32 105 A 1 ATOM 844 N N . ARG A 1 106 ? 10.120 -3.108 2.219 1.00 98.68 106 A 1 ATOM 845 C CA . ARG A 1 106 ? 10.408 -2.060 3.211 1.00 98.68 106 A 1 ATOM 846 C C . ARG A 1 106 ? 9.151 -1.281 3.611 1.00 98.77 106 A 1 ATOM 847 O O . ARG A 1 106 ? 9.017 -0.935 4.780 1.00 98.63 106 A 1 ATOM 848 C CB . ARG A 1 106 ? 11.508 -1.125 2.704 1.00 98.41 106 A 1 ATOM 849 C CG . ARG A 1 106 ? 12.887 -1.799 2.569 1.00 94.17 106 A 1 ATOM 850 C CD . ARG A 1 106 ? 13.427 -2.292 3.917 1.00 84.54 106 A 1 ATOM 851 N NE . ARG A 1 106 ? 14.794 -2.822 3.781 1.00 74.31 106 A 1 ATOM 852 C CZ . ARG A 1 106 ? 15.464 -3.481 4.710 1.00 63.09 106 A 1 ATOM 853 N NH1 . ARG A 1 106 ? 14.961 -3.706 5.891 1.00 55.20 106 A 1 ATOM 854 N NH2 . ARG A 1 106 ? 16.655 -3.941 4.456 1.00 56.26 106 A 1 ATOM 855 N N . VAL A 1 107 ? 8.206 -1.075 2.698 1.00 98.65 107 A 1 ATOM 856 C CA . VAL A 1 107 ? 6.881 -0.515 3.026 1.00 98.75 107 A 1 ATOM 857 C C . VAL A 1 107 ? 6.126 -1.461 3.968 1.00 98.74 107 A 1 ATOM 858 O O . VAL A 1 107 ? 5.635 -1.023 5.007 1.00 98.63 107 A 1 ATOM 859 C CB . VAL A 1 107 ? 6.061 -0.225 1.754 1.00 98.76 107 A 1 ATOM 860 C CG1 . VAL A 1 107 ? 4.643 0.266 2.075 1.00 98.49 107 A 1 ATOM 861 C CG2 . VAL A 1 107 ? 6.734 0.855 0.895 1.00 98.49 107 A 1 ATOM 862 N N . ALA A 1 108 ? 6.098 -2.764 3.670 1.00 98.76 108 A 1 ATOM 863 C CA . ALA A 1 108 ? 5.466 -3.768 4.527 1.00 98.71 108 A 1 ATOM 864 C C . ALA A 1 108 ? 6.126 -3.847 5.917 1.00 98.66 108 A 1 ATOM 865 O O . ALA A 1 108 ? 5.430 -3.953 6.925 1.00 98.49 108 A 1 ATOM 866 C CB . ALA A 1 108 ? 5.502 -5.122 3.806 1.00 98.58 108 A 1 ATOM 867 N N . ASN A 1 109 ? 7.450 -3.734 5.983 1.00 98.64 109 A 1 ATOM 868 C CA . ASN A 1 109 ? 8.170 -3.645 7.252 1.00 98.59 109 A 1 ATOM 869 C C . ASN A 1 109 ? 7.781 -2.386 8.046 1.00 98.59 109 A 1 ATOM 870 O O . ASN A 1 109 ? 7.512 -2.484 9.242 1.00 98.49 109 A 1 ATOM 871 C CB . ASN A 1 109 ? 9.680 -3.705 6.972 1.00 98.43 109 A 1 ATOM 872 C CG . ASN A 1 109 ? 10.491 -3.594 8.254 1.00 95.13 109 A 1 ATOM 873 O OD1 . ASN A 1 109 ? 11.030 -2.553 8.588 1.00 87.39 109 A 1 ATOM 874 N ND2 . ASN A 1 109 ? 10.571 -4.663 9.015 1.00 87.03 109 A 1 ATOM 875 N N . ALA A 1 110 ? 7.681 -1.233 7.396 1.00 98.66 110 A 1 ATOM 876 C CA . ALA A 1 110 ? 7.315 0.016 8.061 1.00 98.62 110 A 1 ATOM 877 C C . ALA A 1 110 ? 5.877 0.002 8.619 1.00 98.62 110 A 1 ATOM 878 O O . ALA A 1 110 ? 5.626 0.561 9.684 1.00 98.33 110 A 1 ATOM 879 C CB . ALA A 1 110 ? 7.519 1.167 7.072 1.00 98.55 110 A 1 ATOM 880 N N . VAL A 1 111 ? 4.934 -0.656 7.925 1.00 98.64 111 A 1 ATOM 881 C CA . VAL A 1 111 ? 3.516 -0.684 8.331 1.00 98.54 111 A 1 ATOM 882 C C . VAL A 1 111 ? 3.215 -1.806 9.328 1.00 98.42 111 A 1 ATOM 883 O O . VAL A 1 111 ? 2.527 -1.577 10.323 1.00 97.97 111 A 1 ATOM 884 C CB . VAL A 1 111 ? 2.593 -0.779 7.101 1.00 98.40 111 A 1 ATOM 885 C CG1 . VAL A 1 111 ? 1.109 -0.804 7.492 1.00 97.67 111 A 1 ATOM 886 C CG2 . VAL A 1 111 ? 2.777 0.425 6.172 1.00 97.90 111 A 1 ATOM 887 N N . TRP A 1 112 ? 3.708 -3.032 9.068 1.00 98.45 112 A 1 ATOM 888 C CA . TRP A 1 112 ? 3.351 -4.232 9.835 1.00 98.28 112 A 1 ATOM 889 C C . TRP A 1 112 ? 4.534 -4.885 10.559 1.00 98.12 112 A 1 ATOM 890 O O . TRP A 1 112 ? 4.357 -5.946 11.170 1.00 97.33 112 A 1 ATOM 891 C CB . TRP A 1 112 ? 2.648 -5.246 8.931 1.00 98.09 112 A 1 ATOM 892 C CG . TRP A 1 112 ? 1.357 -4.780 8.326 1.00 98.14 112 A 1 ATOM 893 C CD1 . TRP A 1 112 ? 0.167 -4.720 8.959 1.00 97.46 112 A 1 ATOM 894 C CD2 . TRP A 1 112 ? 1.123 -4.294 6.971 1.00 98.25 112 A 1 ATOM 895 N NE1 . TRP A 1 112 ? -0.802 -4.232 8.093 1.00 97.51 112 A 1 ATOM 896 C CE2 . TRP A 1 112 ? -0.258 -3.955 6.860 1.00 97.92 112 A 1 ATOM 897 C CE3 . TRP A 1 112 ? 1.943 -4.111 5.837 1.00 97.82 112 A 1 ATOM 898 C CZ2 . TRP A 1 112 ? -0.808 -3.437 5.672 1.00 97.41 112 A 1 ATOM 899 C CZ3 . TRP A 1 112 ? 1.394 -3.596 4.651 1.00 97.30 112 A 1 ATOM 900 C CH2 . TRP A 1 112 ? 0.035 -3.259 4.571 1.00 97.30 112 A 1 ATOM 901 N N . GLN A 1 113 ? 5.717 -4.285 10.492 1.00 98.12 113 A 1 ATOM 902 C CA . GLN A 1 113 ? 6.964 -4.859 11.011 1.00 97.94 113 A 1 ATOM 903 C C . GLN A 1 113 ? 7.269 -6.249 10.415 1.00 98.06 113 A 1 ATOM 904 O O . GLN A 1 113 ? 7.863 -7.095 11.077 1.00 96.97 113 A 1 ATOM 905 C CB . GLN A 1 113 ? 6.970 -4.848 12.546 1.00 97.39 113 A 1 ATOM 906 C CG . GLN A 1 113 ? 6.747 -3.440 13.125 1.00 92.33 113 A 1 ATOM 907 C CD . GLN A 1 113 ? 6.662 -3.437 14.651 1.00 80.44 113 A 1 ATOM 908 O OE1 . GLN A 1 113 ? 6.575 -4.457 15.315 1.00 71.92 113 A 1 ATOM 909 N NE2 . GLN A 1 113 ? 6.669 -2.278 15.263 1.00 69.81 113 A 1 ATOM 910 N N . LEU A 1 114 ? 6.845 -6.491 9.176 1.00 97.63 114 A 1 ATOM 911 C CA . LEU A 1 114 ? 7.152 -7.730 8.464 1.00 97.65 114 A 1 ATOM 912 C C . LEU A 1 114 ? 8.640 -7.785 8.122 1.00 97.69 114 A 1 ATOM 913 O O . LEU A 1 114 ? 9.215 -6.828 7.599 1.00 97.31 114 A 1 ATOM 914 C CB . LEU A 1 114 ? 6.295 -7.852 7.198 1.00 97.37 114 A 1 ATOM 915 C CG . LEU A 1 114 ? 4.836 -8.251 7.479 1.00 96.16 114 A 1 ATOM 916 C CD1 . LEU A 1 114 ? 3.994 -8.068 6.220 1.00 95.33 114 A 1 ATOM 917 C CD2 . LEU A 1 114 ? 4.722 -9.710 7.923 1.00 95.59 114 A 1 ATOM 918 N N . THR A 1 115 ? 9.246 -8.934 8.400 1.00 97.60 115 A 1 ATOM 919 C CA . THR A 1 115 ? 10.626 -9.250 8.026 1.00 97.28 115 A 1 ATOM 920 C C . THR A 1 115 ? 10.672 -9.917 6.653 1.00 97.29 115 A 1 ATOM 921 O O . THR A 1 115 ? 9.675 -10.462 6.179 1.00 96.90 115 A 1 ATOM 922 C CB . THR A 1 115 ? 11.290 -10.142 9.082 1.00 96.94 115 A 1 ATOM 923 O OG1 . THR A 1 115 ? 10.611 -11.366 9.185 1.00 94.45 115 A 1 ATOM 924 C CG2 . THR A 1 115 ? 11.309 -9.493 10.467 1.00 92.99 115 A 1 ATOM 925 N N . ASP A 1 116 ? 11.843 -9.916 6.020 1.00 97.34 116 A 1 ATOM 926 C CA . ASP A 1 116 ? 12.043 -10.626 4.752 1.00 96.98 116 A 1 ATOM 927 C C . ASP A 1 116 ? 11.762 -12.133 4.907 1.00 96.97 116 A 1 ATOM 928 O O . ASP A 1 116 ? 11.075 -12.711 4.068 1.00 96.45 116 A 1 ATOM 929 C CB . ASP A 1 116 ? 13.457 -10.348 4.208 1.00 96.17 116 A 1 ATOM 930 C CG . ASP A 1 116 ? 13.622 -8.914 3.671 1.00 94.00 116 A 1 ATOM 931 O OD1 . ASP A 1 116 ? 12.668 -8.396 3.044 1.00 90.76 116 A 1 ATOM 932 O OD2 . ASP A 1 116 ? 14.698 -8.303 3.869 1.00 90.62 116 A 1 ATOM 933 N N . ASP A 1 117 ? 12.166 -12.741 6.026 1.00 96.92 117 A 1 ATOM 934 C CA . ASP A 1 117 ? 11.907 -14.155 6.323 1.00 96.53 117 A 1 ATOM 935 C C . ASP A 1 117 ? 10.407 -14.471 6.424 1.00 96.68 117 A 1 ATOM 936 O O . ASP A 1 117 ? 9.944 -15.476 5.881 1.00 95.96 117 A 1 ATOM 937 C CB . ASP A 1 117 ? 12.588 -14.553 7.644 1.00 96.22 117 A 1 ATOM 938 C CG . ASP A 1 117 ? 14.118 -14.607 7.586 1.00 89.12 117 A 1 ATOM 939 O OD1 . ASP A 1 117 ? 14.672 -14.706 6.472 1.00 84.63 117 A 1 ATOM 940 O OD2 . ASP A 1 117 ? 14.727 -14.578 8.682 1.00 85.25 117 A 1 ATOM 941 N N . GLU A 1 118 ? 9.615 -13.615 7.086 1.00 97.00 118 A 1 ATOM 942 C CA . GLU A 1 118 ? 8.157 -13.796 7.175 1.00 96.40 118 A 1 ATOM 943 C C . GLU A 1 118 ? 7.491 -13.703 5.793 1.00 96.62 118 A 1 ATOM 944 O O . GLU A 1 118 ? 6.575 -14.469 5.498 1.00 96.16 118 A 1 ATOM 945 C CB . GLU A 1 118 ? 7.539 -12.738 8.105 1.00 95.92 118 A 1 ATOM 946 C CG . GLU A 1 118 ? 7.785 -13.009 9.597 1.00 92.56 118 A 1 ATOM 947 C CD . GLU A 1 118 ? 7.363 -11.796 10.449 1.00 91.73 118 A 1 ATOM 948 O OE1 . GLU A 1 118 ? 6.511 -11.925 11.357 1.00 85.20 118 A 1 ATOM 949 O OE2 . GLU A 1 118 ? 7.870 -10.678 10.200 1.00 86.38 118 A 1 ATOM 950 N N . ILE A 1 119 ? 7.964 -12.810 4.927 1.00 97.15 119 A 1 ATOM 951 C CA . ILE A 1 119 ? 7.455 -12.678 3.556 1.00 96.76 119 A 1 ATOM 952 C C . ILE A 1 119 ? 7.876 -13.885 2.706 1.00 96.75 119 A 1 ATOM 953 O O . ILE A 1 119 ? 7.073 -14.411 1.935 1.00 96.77 119 A 1 ATOM 954 C CB . ILE A 1 119 ? 7.924 -11.345 2.933 1.00 97.02 119 A 1 ATOM 955 C CG1 . ILE A 1 119 ? 7.350 -10.137 3.717 1.00 96.41 119 A 1 ATOM 956 C CG2 . ILE A 1 119 ? 7.492 -11.253 1.458 1.00 96.67 119 A 1 ATOM 957 C CD1 . ILE A 1 119 ? 8.101 -8.827 3.450 1.00 94.55 119 A 1 ATOM 958 N N . ASP A 1 120 ? 9.107 -14.357 2.845 1.00 96.87 120 A 1 ATOM 959 C CA . ASP A 1 120 ? 9.616 -15.504 2.084 1.00 96.10 120 A 1 ATOM 960 C C . ASP A 1 120 ? 8.899 -16.809 2.435 1.00 95.57 120 A 1 ATOM 961 O O . ASP A 1 120 ? 8.671 -17.645 1.548 1.00 94.39 120 A 1 ATOM 962 C CB . ASP A 1 120 ? 11.136 -15.627 2.272 1.00 95.67 120 A 1 ATOM 963 C CG . ASP A 1 120 ? 11.907 -14.576 1.457 1.00 94.84 120 A 1 ATOM 964 O OD1 . ASP A 1 120 ? 11.365 -14.114 0.419 1.00 92.19 120 A 1 ATOM 965 O OD2 . ASP A 1 120 ? 13.056 -14.256 1.818 1.00 92.26 120 A 1 ATOM 966 N N . GLN A 1 121 ? 8.479 -16.962 3.696 1.00 95.89 121 A 1 ATOM 967 C CA . GLN A 1 121 ? 7.721 -18.114 4.198 1.00 95.20 121 A 1 ATOM 968 C C . GLN A 1 121 ? 6.208 -18.003 3.968 1.00 94.88 121 A 1 ATOM 969 O O . GLN A 1 121 ? 5.493 -18.998 4.145 1.00 92.52 121 A 1 ATOM 970 C CB . GLN A 1 121 ? 8.021 -18.298 5.689 1.00 94.59 121 A 1 ATOM 971 C CG . GLN A 1 121 ? 9.484 -18.702 5.933 1.00 89.93 121 A 1 ATOM 972 C CD . GLN A 1 121 ? 9.822 -18.814 7.422 1.00 81.17 121 A 1 ATOM 973 O OE1 . GLN A 1 121 ? 8.965 -18.963 8.281 1.00 73.10 121 A 1 ATOM 974 N NE2 . GLN A 1 121 ? 11.087 -18.781 7.773 1.00 71.12 121 A 1 ATOM 975 N N . ALA A 1 122 ? 5.700 -16.832 3.573 1.00 95.73 122 A 1 ATOM 976 C CA . ALA A 1 122 ? 4.280 -16.638 3.311 1.00 94.32 122 A 1 ATOM 977 C C . ALA A 1 122 ? 3.810 -17.512 2.138 1.00 92.51 122 A 1 ATOM 978 O O . ALA A 1 122 ? 4.502 -17.701 1.135 1.00 89.15 122 A 1 ATOM 979 C CB . ALA A 1 122 ? 3.994 -15.156 3.075 1.00 93.74 122 A 1 ATOM 980 N N . LYS A 1 123 ? 2.591 -18.046 2.263 1.00 91.08 123 A 1 ATOM 981 C CA . LYS A 1 123 ? 1.960 -18.826 1.197 1.00 87.70 123 A 1 ATOM 982 C C . LYS A 1 123 ? 1.369 -17.867 0.162 1.00 85.17 123 A 1 ATOM 983 O O . LYS A 1 123 ? 0.549 -17.021 0.496 1.00 77.72 123 A 1 ATOM 984 C CB . LYS A 1 123 ? 0.900 -19.767 1.780 1.00 82.73 123 A 1 ATOM 985 C CG . LYS A 1 123 ? 1.535 -20.830 2.692 1.00 75.40 123 A 1 ATOM 986 C CD . LYS A 1 123 ? 0.449 -21.735 3.277 1.00 69.90 123 A 1 ATOM 987 C CE . LYS A 1 123 ? 1.084 -22.750 4.224 1.00 64.29 123 A 1 ATOM 988 N NZ . LYS A 1 123 ? 0.049 -23.564 4.907 1.00 56.18 123 A 1 ATOM 989 N N . ALA A 1 124 ? 1.791 -18.002 -1.085 1.00 84.12 124 A 1 ATOM 990 C CA . ALA A 1 124 ? 1.269 -17.215 -2.201 1.00 80.82 124 A 1 ATOM 991 C C . ALA A 1 124 ? -0.088 -17.716 -2.709 1.00 74.59 124 A 1 ATOM 992 O O . ALA A 1 124 ? -0.320 -18.944 -2.726 1.00 68.76 124 A 1 ATOM 993 C CB . ALA A 1 124 ? 2.321 -17.166 -3.314 1.00 75.42 124 A 1 ATOM 994 O OXT . ALA A 1 124 ? -0.935 -16.865 -3.103 1.00 67.66 124 A 1 #