# 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_acrvia5_plus # _entry.id acrvia5_plus # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n GLU 2 1 n ARG 3 1 n ASN 4 1 n PHE 5 1 n LYS 6 1 n LYS 7 1 n VAL 8 1 n THR 9 1 n GLU 10 1 n ASN 11 1 n THR 12 1 n GLY 13 1 n ARG 14 1 n LYS 15 1 n GLU 16 1 n VAL 17 1 n PHE 18 1 n LYS 19 1 n VAL 20 1 n MET 21 1 n HIS 22 1 n ASP 23 1 n LYS 24 1 n VAL 25 1 n GLU 26 1 n ILE 27 1 n ILE 28 1 n ASN 29 1 n ASP 30 1 n PHE 31 1 n ASN 32 1 n THR 33 1 n ASN 34 1 n GLU 35 1 n LYS 36 1 n ARG 37 1 n GLU 38 1 n ALA 39 1 n ARG 40 1 n ILE 41 1 n ILE 42 1 n PHE 43 1 n HIS 44 1 n ASP 45 1 n GLN 46 1 n LYS 47 1 n ILE 48 1 n TYR 49 1 n VAL 50 1 n ILE 51 1 n LEU 52 1 n TYR 53 1 n GLN 54 1 n ASN 55 1 n LEU 56 1 n ASN 57 1 n PHE 58 1 n GLU 59 1 n GLU 60 1 n LEU 61 1 n LYS 62 1 n TRP 63 1 n LEU 64 1 n ASN 65 1 n PHE 66 1 n TYR 67 1 n ILE 68 1 n LEU 69 1 n ILE 70 1 n TYR 71 1 n GLY 72 1 n ASN 73 1 n GLN 74 1 n SER 75 1 n TYR 76 1 n GLY 77 1 n LYS 78 1 n ASN 79 1 n THR 80 1 n PHE 81 1 n PHE 82 1 n GLU 83 1 n PHE 84 1 n LYS 85 1 n LEU 86 1 n ASN 87 1 n LYS 88 1 n ASN 89 1 n ASN 90 1 n LEU 91 1 n ILE 92 1 n TYR 93 1 n HIS 94 1 n LEU 95 1 n GLN 96 1 n VAL 97 1 n TRP 98 1 n ASN 99 1 n ILE 100 1 n ILE 101 1 n GLU 102 1 n ASN 103 1 n LYS 104 1 n LYS 105 1 n PHE 106 1 n LYS 107 1 n SER 108 1 n LYS 109 1 n SER 110 1 n ILE 111 1 n SER 112 1 n LEU 113 1 n LEU 114 1 n VAL 115 1 n LYS 116 1 n ALA 117 1 n LEU 118 1 n SER 119 1 n SER 120 1 n LYS 121 1 n ALA 122 1 n GLY 123 1 n VAL 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 @ 2025-04-07 01:30:21)" _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 42.98 _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 31.78 1 1 A GLU 2 2 29.15 1 2 A ARG 3 2 26.76 1 3 A ASN 4 2 29.31 1 4 A PHE 5 2 27.08 1 5 A LYS 6 2 30.35 1 6 A LYS 7 2 29.47 1 7 A VAL 8 2 31.07 1 8 A THR 9 2 30.21 1 9 A GLU 10 2 28.88 1 10 A ASN 11 2 28.27 1 11 A THR 12 2 30.45 1 12 A GLY 13 2 33.67 1 13 A ARG 14 2 30.61 1 14 A LYS 15 2 28.10 1 15 A GLU 16 2 27.23 1 16 A VAL 17 2 32.83 1 17 A PHE 18 2 31.90 1 18 A LYS 19 2 30.35 1 19 A VAL 20 2 32.03 1 20 A MET 21 2 34.05 1 21 A HIS 22 2 30.72 1 22 A ASP 23 2 34.81 1 23 A LYS 24 2 35.03 1 24 A VAL 25 2 41.68 1 25 A GLU 26 2 42.72 1 26 A ILE 27 2 44.70 1 27 A ILE 28 2 44.78 1 28 A ASN 29 2 46.05 1 29 A ASP 30 2 48.91 1 30 A PHE 31 2 46.58 1 31 A ASN 32 2 46.30 1 32 A THR 33 2 45.75 1 33 A ASN 34 2 45.13 1 34 A GLU 35 2 43.33 1 35 A LYS 36 2 48.59 1 36 A ARG 37 2 47.94 1 37 A GLU 38 2 51.71 1 38 A ALA 39 2 63.95 1 39 A ARG 40 2 56.21 1 40 A ILE 41 2 60.66 1 41 A ILE 42 2 60.42 1 42 A PHE 43 2 52.50 1 43 A HIS 44 2 53.22 1 44 A ASP 45 2 56.26 1 45 A GLN 46 2 52.82 1 46 A LYS 47 2 57.25 1 47 A ILE 48 2 59.71 1 48 A TYR 49 2 58.47 1 49 A VAL 50 2 64.51 1 50 A ILE 51 2 61.43 1 51 A LEU 52 2 60.09 1 52 A TYR 53 2 55.89 1 53 A GLN 54 2 56.04 1 54 A ASN 55 2 56.77 1 55 A LEU 56 2 56.60 1 56 A ASN 57 2 52.25 1 57 A PHE 58 2 43.92 1 58 A GLU 59 2 50.06 1 59 A GLU 60 2 50.83 1 60 A LEU 61 2 50.36 1 61 A LYS 62 2 46.71 1 62 A TRP 63 2 38.33 1 63 A LEU 64 2 45.92 1 64 A ASN 65 2 40.09 1 65 A PHE 66 2 35.63 1 66 A TYR 67 2 31.60 1 67 A ILE 68 2 42.58 1 68 A LEU 69 2 37.42 1 69 A ILE 70 2 39.25 1 70 A TYR 71 2 31.21 1 71 A GLY 72 2 38.45 1 72 A ASN 73 2 38.19 1 73 A GLN 74 2 46.49 1 74 A SER 75 2 54.11 1 75 A TYR 76 2 53.14 1 76 A GLY 77 2 59.38 1 77 A LYS 78 2 55.51 1 78 A ASN 79 2 55.51 1 79 A THR 80 2 59.46 1 80 A PHE 81 2 54.48 1 81 A PHE 82 2 60.31 1 82 A GLU 83 2 58.37 1 83 A PHE 84 2 56.61 1 84 A LYS 85 2 52.98 1 85 A LEU 86 2 49.28 1 86 A ASN 87 2 47.60 1 87 A LYS 88 2 47.63 1 88 A ASN 89 2 48.36 1 89 A ASN 90 2 43.00 1 90 A LEU 91 2 40.76 1 91 A ILE 92 2 46.47 1 92 A TYR 93 2 40.69 1 93 A HIS 94 2 46.06 1 94 A LEU 95 2 49.56 1 95 A GLN 96 2 47.59 1 96 A VAL 97 2 51.44 1 97 A TRP 98 2 45.42 1 98 A ASN 99 2 48.25 1 99 A ILE 100 2 43.55 1 100 A ILE 101 2 40.04 1 101 A GLU 102 2 39.62 1 102 A ASN 103 2 40.43 1 103 A LYS 104 2 41.73 1 104 A LYS 105 2 44.97 1 105 A PHE 106 2 37.01 1 106 A LYS 107 2 40.40 1 107 A SER 108 2 39.72 1 108 A LYS 109 2 39.16 1 109 A SER 110 2 33.90 1 110 A ILE 111 2 34.09 1 111 A SER 112 2 35.71 1 112 A LEU 113 2 34.11 1 113 A LEU 114 2 29.63 1 114 A VAL 115 2 34.24 1 115 A LYS 116 2 35.16 1 116 A ALA 117 2 33.90 1 117 A LEU 118 2 26.31 1 118 A SER 119 2 27.92 1 119 A SER 120 2 29.89 1 120 A LYS 121 2 24.02 1 121 A ALA 122 2 21.46 1 122 A GLY 123 2 24.52 1 123 A VAL 124 2 17.75 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 GLU . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n ASN . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n LYS . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n GLU . 10 A 10 A 11 1 n ASN . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n GLY . 13 A 13 A 14 1 n ARG . 14 A 14 A 15 1 n LYS . 15 A 15 A 16 1 n GLU . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n LYS . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n MET . 21 A 21 A 22 1 n HIS . 22 A 22 A 23 1 n ASP . 23 A 23 A 24 1 n LYS . 24 A 24 A 25 1 n VAL . 25 A 25 A 26 1 n GLU . 26 A 26 A 27 1 n ILE . 27 A 27 A 28 1 n ILE . 28 A 28 A 29 1 n ASN . 29 A 29 A 30 1 n ASP . 30 A 30 A 31 1 n PHE . 31 A 31 A 32 1 n ASN . 32 A 32 A 33 1 n THR . 33 A 33 A 34 1 n ASN . 34 A 34 A 35 1 n GLU . 35 A 35 A 36 1 n LYS . 36 A 36 A 37 1 n ARG . 37 A 37 A 38 1 n GLU . 38 A 38 A 39 1 n ALA . 39 A 39 A 40 1 n ARG . 40 A 40 A 41 1 n ILE . 41 A 41 A 42 1 n ILE . 42 A 42 A 43 1 n PHE . 43 A 43 A 44 1 n HIS . 44 A 44 A 45 1 n ASP . 45 A 45 A 46 1 n GLN . 46 A 46 A 47 1 n LYS . 47 A 47 A 48 1 n ILE . 48 A 48 A 49 1 n TYR . 49 A 49 A 50 1 n VAL . 50 A 50 A 51 1 n ILE . 51 A 51 A 52 1 n LEU . 52 A 52 A 53 1 n TYR . 53 A 53 A 54 1 n GLN . 54 A 54 A 55 1 n ASN . 55 A 55 A 56 1 n LEU . 56 A 56 A 57 1 n ASN . 57 A 57 A 58 1 n PHE . 58 A 58 A 59 1 n GLU . 59 A 59 A 60 1 n GLU . 60 A 60 A 61 1 n LEU . 61 A 61 A 62 1 n LYS . 62 A 62 A 63 1 n TRP . 63 A 63 A 64 1 n LEU . 64 A 64 A 65 1 n ASN . 65 A 65 A 66 1 n PHE . 66 A 66 A 67 1 n TYR . 67 A 67 A 68 1 n ILE . 68 A 68 A 69 1 n LEU . 69 A 69 A 70 1 n ILE . 70 A 70 A 71 1 n TYR . 71 A 71 A 72 1 n GLY . 72 A 72 A 73 1 n ASN . 73 A 73 A 74 1 n GLN . 74 A 74 A 75 1 n SER . 75 A 75 A 76 1 n TYR . 76 A 76 A 77 1 n GLY . 77 A 77 A 78 1 n LYS . 78 A 78 A 79 1 n ASN . 79 A 79 A 80 1 n THR . 80 A 80 A 81 1 n PHE . 81 A 81 A 82 1 n PHE . 82 A 82 A 83 1 n GLU . 83 A 83 A 84 1 n PHE . 84 A 84 A 85 1 n LYS . 85 A 85 A 86 1 n LEU . 86 A 86 A 87 1 n ASN . 87 A 87 A 88 1 n LYS . 88 A 88 A 89 1 n ASN . 89 A 89 A 90 1 n ASN . 90 A 90 A 91 1 n LEU . 91 A 91 A 92 1 n ILE . 92 A 92 A 93 1 n TYR . 93 A 93 A 94 1 n HIS . 94 A 94 A 95 1 n LEU . 95 A 95 A 96 1 n GLN . 96 A 96 A 97 1 n VAL . 97 A 97 A 98 1 n TRP . 98 A 98 A 99 1 n ASN . 99 A 99 A 100 1 n ILE . 100 A 100 A 101 1 n ILE . 101 A 101 A 102 1 n GLU . 102 A 102 A 103 1 n ASN . 103 A 103 A 104 1 n LYS . 104 A 104 A 105 1 n LYS . 105 A 105 A 106 1 n PHE . 106 A 106 A 107 1 n LYS . 107 A 107 A 108 1 n SER . 108 A 108 A 109 1 n LYS . 109 A 109 A 110 1 n SER . 110 A 110 A 111 1 n ILE . 111 A 111 A 112 1 n SER . 112 A 112 A 113 1 n LEU . 113 A 113 A 114 1 n LEU . 114 A 114 A 115 1 n VAL . 115 A 115 A 116 1 n LYS . 116 A 116 A 117 1 n ALA . 117 A 117 A 118 1 n LEU . 118 A 118 A 119 1 n SER . 119 A 119 A 120 1 n SER . 120 A 120 A 121 1 n LYS . 121 A 121 A 122 1 n ALA . 122 A 122 A 123 1 n GLY . 123 A 123 A 124 1 n VAL . 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 ? 13.424 6.114 25.413 1.00 29.28 1 A 1 ATOM 2 C CA . MET A 1 1 ? 13.018 7.288 24.613 1.00 35.54 1 A 1 ATOM 3 C C . MET A 1 1 ? 11.664 6.997 23.989 1.00 37.17 1 A 1 ATOM 4 O O . MET A 1 1 ? 11.598 6.243 23.027 1.00 36.07 1 A 1 ATOM 5 C CB . MET A 1 1 ? 14.034 7.632 23.505 1.00 34.32 1 A 1 ATOM 6 C CG . MET A 1 1 ? 15.167 8.522 24.002 1.00 29.82 1 A 1 ATOM 7 S SD . MET A 1 1 ? 16.335 8.943 22.678 1.00 27.54 1 A 1 ATOM 8 C CE . MET A 1 1 ? 17.560 9.886 23.625 1.00 24.50 1 A 1 ATOM 9 N N . GLU A 1 2 ? 10.605 7.526 24.576 1.00 28.57 2 A 1 ATOM 10 C CA . GLU A 1 2 ? 9.278 7.496 23.963 1.00 31.21 2 A 1 ATOM 11 C C . GLU A 1 2 ? 9.288 8.412 22.740 1.00 31.37 2 A 1 ATOM 12 O O . GLU A 1 2 ? 9.470 9.626 22.843 1.00 31.39 2 A 1 ATOM 13 C CB . GLU A 1 2 ? 8.215 7.958 24.968 1.00 31.49 2 A 1 ATOM 14 C CG . GLU A 1 2 ? 7.864 6.858 25.983 1.00 28.42 2 A 1 ATOM 15 C CD . GLU A 1 2 ? 6.823 7.339 27.001 1.00 27.35 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? 5.987 6.504 27.395 1.00 25.07 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? 6.894 8.534 27.360 1.00 27.50 2 A 1 ATOM 18 N N . ARG A 1 3 ? 9.142 7.834 21.554 1.00 30.07 3 A 1 ATOM 19 C CA . ARG A 1 3 ? 8.898 8.631 20.355 1.00 31.38 3 A 1 ATOM 20 C C . ARG A 1 3 ? 7.431 9.049 20.386 1.00 31.25 3 A 1 ATOM 21 O O . ARG A 1 3 ? 6.554 8.265 20.047 1.00 29.83 3 A 1 ATOM 22 C CB . ARG A 1 3 ? 9.277 7.863 19.080 1.00 29.95 3 A 1 ATOM 23 C CG . ARG A 1 3 ? 10.799 7.683 18.935 1.00 27.01 3 A 1 ATOM 24 C CD . ARG A 1 3 ? 11.129 7.001 17.598 1.00 25.63 3 A 1 ATOM 25 N NE . ARG A 1 3 ? 12.568 6.689 17.479 1.00 23.70 3 A 1 ATOM 26 C CZ . ARG A 1 3 ? 13.150 6.029 16.487 1.00 22.28 3 A 1 ATOM 27 N NH1 . ARG A 1 3 ? 12.478 5.603 15.455 1.00 21.91 3 A 1 ATOM 28 N NH2 . ARG A 1 3 ? 14.429 5.772 16.518 1.00 21.32 3 A 1 ATOM 29 N N . ASN A 1 4 ? 7.189 10.274 20.803 1.00 30.51 4 A 1 ATOM 30 C CA . ASN A 1 4 ? 5.884 10.915 20.702 1.00 32.03 4 A 1 ATOM 31 C C . ASN A 1 4 ? 5.479 11.022 19.225 1.00 31.85 4 A 1 ATOM 32 O O . ASN A 1 4 ? 5.831 11.974 18.529 1.00 30.79 4 A 1 ATOM 33 C CB . ASN A 1 4 ? 5.935 12.288 21.406 1.00 30.71 4 A 1 ATOM 34 C CG . ASN A 1 4 ? 5.581 12.207 22.878 1.00 27.46 4 A 1 ATOM 35 O OD1 . ASN A 1 4 ? 4.719 11.448 23.270 1.00 25.87 4 A 1 ATOM 36 N ND2 . ASN A 1 4 ? 6.183 13.004 23.723 1.00 25.29 4 A 1 ATOM 37 N N . PHE A 1 5 ? 4.742 10.036 18.736 1.00 30.38 5 A 1 ATOM 38 C CA . PHE A 1 5 ? 4.091 10.109 17.434 1.00 30.36 5 A 1 ATOM 39 C C . PHE A 1 5 ? 2.960 11.131 17.533 1.00 30.70 5 A 1 ATOM 40 O O . PHE A 1 5 ? 1.861 10.833 17.998 1.00 29.56 5 A 1 ATOM 41 C CB . PHE A 1 5 ? 3.599 8.723 16.999 1.00 29.05 5 A 1 ATOM 42 C CG . PHE A 1 5 ? 4.723 7.749 16.691 1.00 27.36 5 A 1 ATOM 43 C CD1 . PHE A 1 5 ? 5.366 7.787 15.440 1.00 25.22 5 A 1 ATOM 44 C CD2 . PHE A 1 5 ? 5.138 6.816 17.660 1.00 25.38 5 A 1 ATOM 45 C CE1 . PHE A 1 5 ? 6.414 6.895 15.154 1.00 23.29 5 A 1 ATOM 46 C CE2 . PHE A 1 5 ? 6.189 5.928 17.377 1.00 23.27 5 A 1 ATOM 47 C CZ . PHE A 1 5 ? 6.827 5.964 16.123 1.00 23.35 5 A 1 ATOM 48 N N . LYS A 1 6 ? 3.245 12.351 17.114 1.00 31.13 6 A 1 ATOM 49 C CA . LYS A 1 6 ? 2.224 13.394 17.010 1.00 32.77 6 A 1 ATOM 50 C C . LYS A 1 6 ? 1.132 12.869 16.079 1.00 32.78 6 A 1 ATOM 51 O O . LYS A 1 6 ? 1.375 12.602 14.903 1.00 32.04 6 A 1 ATOM 52 C CB . LYS A 1 6 ? 2.860 14.719 16.544 1.00 32.92 6 A 1 ATOM 53 C CG . LYS A 1 6 ? 2.266 15.949 17.255 1.00 30.48 6 A 1 ATOM 54 C CD . LYS A 1 6 ? 3.000 17.237 16.835 1.00 28.99 6 A 1 ATOM 55 C CE . LYS A 1 6 ? 2.532 18.445 17.654 1.00 27.19 6 A 1 ATOM 56 N NZ . LYS A 1 6 ? 3.256 19.697 17.294 1.00 24.81 6 A 1 ATOM 57 N N . LYS A 1 7 ? -0.047 12.651 16.640 1.00 31.45 7 A 1 ATOM 58 C CA . LYS A 1 7 ? -1.246 12.182 15.943 1.00 32.14 7 A 1 ATOM 59 C C . LYS A 1 7 ? -1.458 13.096 14.735 1.00 32.12 7 A 1 ATOM 60 O O . LYS A 1 7 ? -1.690 14.285 14.908 1.00 31.45 7 A 1 ATOM 61 C CB . LYS A 1 7 ? -2.411 12.216 16.954 1.00 31.74 7 A 1 ATOM 62 C CG . LYS A 1 7 ? -3.608 11.316 16.609 1.00 28.96 7 A 1 ATOM 63 C CD . LYS A 1 7 ? -4.645 11.384 17.748 1.00 27.62 7 A 1 ATOM 64 C CE . LYS A 1 7 ? -5.776 10.365 17.570 1.00 25.84 7 A 1 ATOM 65 N NZ . LYS A 1 7 ? -6.723 10.373 18.720 1.00 23.90 7 A 1 ATOM 66 N N . VAL A 1 8 ? -1.304 12.571 13.525 1.00 32.05 8 A 1 ATOM 67 C CA . VAL A 1 8 ? -1.512 13.352 12.295 1.00 32.93 8 A 1 ATOM 68 C C . VAL A 1 8 ? -3.014 13.555 12.118 1.00 32.83 8 A 1 ATOM 69 O O . VAL A 1 8 ? -3.685 12.827 11.391 1.00 31.39 8 A 1 ATOM 70 C CB . VAL A 1 8 ? -0.825 12.717 11.062 1.00 31.38 8 A 1 ATOM 71 C CG1 . VAL A 1 8 ? -0.965 13.603 9.815 1.00 28.44 8 A 1 ATOM 72 C CG2 . VAL A 1 8 ? 0.682 12.520 11.298 1.00 28.47 8 A 1 ATOM 73 N N . THR A 1 9 ? -3.563 14.501 12.877 1.00 31.36 9 A 1 ATOM 74 C CA . THR A 1 9 ? -4.954 14.937 12.796 1.00 32.18 9 A 1 ATOM 75 C C . THR A 1 9 ? -5.036 16.190 11.937 1.00 32.66 9 A 1 ATOM 76 O O . THR A 1 9 ? -5.297 17.274 12.434 1.00 30.93 9 A 1 ATOM 77 C CB . THR A 1 9 ? -5.556 15.190 14.190 1.00 30.16 9 A 1 ATOM 78 O OG1 . THR A 1 9 ? -4.679 15.958 14.983 1.00 27.49 9 A 1 ATOM 79 C CG2 . THR A 1 9 ? -5.841 13.884 14.934 1.00 26.70 9 A 1 ATOM 80 N N . GLU A 1 10 ? -4.814 16.026 10.654 1.00 31.18 10 A 1 ATOM 81 C CA . GLU A 1 10 ? -5.303 17.001 9.682 1.00 31.64 10 A 1 ATOM 82 C C . GLU A 1 10 ? -6.427 16.357 8.877 1.00 31.52 10 A 1 ATOM 83 O O . GLU A 1 10 ? -6.309 15.222 8.399 1.00 30.34 10 A 1 ATOM 84 C CB . GLU A 1 10 ? -4.173 17.560 8.820 1.00 30.75 10 A 1 ATOM 85 C CG . GLU A 1 10 ? -3.319 18.549 9.634 1.00 28.12 10 A 1 ATOM 86 C CD . GLU A 1 10 ? -2.225 19.225 8.799 1.00 26.52 10 A 1 ATOM 87 O OE1 . GLU A 1 10 ? -1.612 20.169 9.339 1.00 24.69 10 A 1 ATOM 88 O OE2 . GLU A 1 10 ? -2.001 18.770 7.651 1.00 25.14 10 A 1 ATOM 89 N N . ASN A 1 11 ? -7.548 17.065 8.814 1.00 30.35 11 A 1 ATOM 90 C CA . ASN A 1 11 ? -8.801 16.670 8.167 1.00 30.93 11 A 1 ATOM 91 C C . ASN A 1 11 ? -8.632 16.498 6.648 1.00 31.02 11 A 1 ATOM 92 O O . ASN A 1 11 ? -9.185 17.235 5.844 1.00 29.56 11 A 1 ATOM 93 C CB . ASN A 1 11 ? -9.887 17.712 8.502 1.00 29.16 11 A 1 ATOM 94 C CG . ASN A 1 11 ? -10.541 17.548 9.861 1.00 26.36 11 A 1 ATOM 95 O OD1 . ASN A 1 11 ? -10.626 16.465 10.431 1.00 24.57 11 A 1 ATOM 96 N ND2 . ASN A 1 11 ? -11.068 18.620 10.405 1.00 24.25 11 A 1 ATOM 97 N N . THR A 1 12 ? -7.854 15.515 6.259 1.00 31.55 12 A 1 ATOM 98 C CA . THR A 1 12 ? -7.850 14.950 4.911 1.00 32.23 12 A 1 ATOM 99 C C . THR A 1 12 ? -8.474 13.565 5.012 1.00 32.46 12 A 1 ATOM 100 O O . THR A 1 12 ? -8.510 13.002 6.108 1.00 31.05 12 A 1 ATOM 101 C CB . THR A 1 12 ? -6.423 14.942 4.342 1.00 30.19 12 A 1 ATOM 102 O OG1 . THR A 1 12 ? -5.539 14.253 5.201 1.00 28.12 12 A 1 ATOM 103 C CG2 . THR A 1 12 ? -5.857 16.358 4.181 1.00 27.57 12 A 1 ATOM 104 N N . GLY A 1 13 ? -8.963 12.971 3.927 1.00 32.74 13 A 1 ATOM 105 C CA . GLY A 1 13 ? -9.670 11.666 3.898 1.00 33.77 13 A 1 ATOM 106 C C . GLY A 1 13 ? -8.925 10.449 4.479 1.00 34.82 13 A 1 ATOM 107 O O . GLY A 1 13 ? -9.345 9.303 4.331 1.00 33.35 13 A 1 ATOM 108 N N . ARG A 1 14 ? -7.843 10.712 5.184 1.00 33.61 14 A 1 ATOM 109 C CA . ARG A 1 14 ? -7.049 9.795 6.002 1.00 34.12 14 A 1 ATOM 110 C C . ARG A 1 14 ? -7.875 9.113 7.098 1.00 34.61 14 A 1 ATOM 111 O O . ARG A 1 14 ? -7.628 7.945 7.382 1.00 34.06 14 A 1 ATOM 112 C CB . ARG A 1 14 ? -5.879 10.587 6.622 1.00 33.28 14 A 1 ATOM 113 C CG . ARG A 1 14 ? -4.878 11.107 5.578 1.00 30.80 14 A 1 ATOM 114 C CD . ARG A 1 14 ? -3.807 11.987 6.235 1.00 29.51 14 A 1 ATOM 115 N NE . ARG A 1 14 ? -2.867 12.541 5.239 1.00 28.44 14 A 1 ATOM 116 C CZ . ARG A 1 14 ? -1.812 13.304 5.494 1.00 26.51 14 A 1 ATOM 117 N NH1 . ARG A 1 14 ? -1.479 13.657 6.708 1.00 26.14 14 A 1 ATOM 118 N NH2 . ARG A 1 14 ? -1.062 13.736 4.524 1.00 25.64 14 A 1 ATOM 119 N N . LYS A 1 15 ? -8.843 9.777 7.712 1.00 30.39 15 A 1 ATOM 120 C CA . LYS A 1 15 ? -9.572 9.255 8.882 1.00 30.99 15 A 1 ATOM 121 C C . LYS A 1 15 ? -10.308 7.942 8.616 1.00 31.40 15 A 1 ATOM 122 O O . LYS A 1 15 ? -10.317 7.100 9.503 1.00 30.84 15 A 1 ATOM 123 C CB . LYS A 1 15 ? -10.538 10.311 9.453 1.00 29.88 15 A 1 ATOM 124 C CG . LYS A 1 15 ? -9.851 11.245 10.464 1.00 27.30 15 A 1 ATOM 125 C CD . LYS A 1 15 ? -10.851 12.256 11.047 1.00 25.64 15 A 1 ATOM 126 C CE . LYS A 1 15 ? -10.193 13.151 12.103 1.00 23.99 15 A 1 ATOM 127 N NZ . LYS A 1 15 ? -11.095 14.249 12.546 1.00 22.50 15 A 1 ATOM 128 N N . GLU A 1 16 ? -10.891 7.745 7.449 1.00 29.24 16 A 1 ATOM 129 C CA . GLU A 1 16 ? -11.694 6.543 7.173 1.00 29.43 16 A 1 ATOM 130 C C . GLU A 1 16 ? -10.838 5.299 6.917 1.00 29.70 16 A 1 ATOM 131 O O . GLU A 1 16 ? -11.150 4.226 7.428 1.00 29.00 16 A 1 ATOM 132 C CB . GLU A 1 16 ? -12.652 6.805 6.009 1.00 28.72 16 A 1 ATOM 133 C CG . GLU A 1 16 ? -13.753 7.793 6.423 1.00 26.50 16 A 1 ATOM 134 C CD . GLU A 1 16 ? -14.827 7.964 5.347 1.00 24.93 16 A 1 ATOM 135 O OE1 . GLU A 1 16 ? -15.925 8.413 5.731 1.00 23.57 16 A 1 ATOM 136 O OE2 . GLU A 1 16 ? -14.528 7.663 4.170 1.00 24.00 16 A 1 ATOM 137 N N . VAL A 1 17 ? -9.715 5.445 6.220 1.00 33.89 17 A 1 ATOM 138 C CA . VAL A 1 17 ? -8.790 4.326 5.968 1.00 34.08 17 A 1 ATOM 139 C C . VAL A 1 17 ? -8.118 3.866 7.264 1.00 34.24 17 A 1 ATOM 140 O O . VAL A 1 17 ? -8.001 2.670 7.503 1.00 33.57 17 A 1 ATOM 141 C CB . VAL A 1 17 ? -7.748 4.696 4.892 1.00 32.92 17 A 1 ATOM 142 C CG1 . VAL A 1 17 ? -6.794 3.533 4.593 1.00 30.68 17 A 1 ATOM 143 C CG2 . VAL A 1 17 ? -8.429 5.097 3.577 1.00 30.43 17 A 1 ATOM 144 N N . PHE A 1 18 ? -7.746 4.792 8.134 1.00 34.93 18 A 1 ATOM 145 C CA . PHE A 1 18 ? -7.144 4.453 9.425 1.00 35.20 18 A 1 ATOM 146 C C . PHE A 1 18 ? -8.158 3.911 10.442 1.00 34.90 18 A 1 ATOM 147 O O . PHE A 1 18 ? -7.778 3.116 11.294 1.00 33.82 18 A 1 ATOM 148 C CB . PHE A 1 18 ? -6.378 5.662 9.977 1.00 34.19 18 A 1 ATOM 149 C CG . PHE A 1 18 ? -5.049 5.916 9.283 1.00 32.49 18 A 1 ATOM 150 C CD1 . PHE A 1 18 ? -3.969 5.046 9.512 1.00 30.24 18 A 1 ATOM 151 C CD2 . PHE A 1 18 ? -4.890 7.003 8.407 1.00 30.73 18 A 1 ATOM 152 C CE1 . PHE A 1 18 ? -2.744 5.252 8.848 1.00 28.23 18 A 1 ATOM 153 C CE2 . PHE A 1 18 ? -3.669 7.207 7.741 1.00 28.39 18 A 1 ATOM 154 C CZ . PHE A 1 18 ? -2.594 6.329 7.957 1.00 27.82 18 A 1 ATOM 155 N N . LYS A 1 19 ? -9.435 4.272 10.355 1.00 32.84 19 A 1 ATOM 156 C CA . LYS A 1 19 ? -10.476 3.797 11.289 1.00 33.18 19 A 1 ATOM 157 C C . LYS A 1 19 ? -10.725 2.289 11.174 1.00 33.15 19 A 1 ATOM 158 O O . LYS A 1 19 ? -11.039 1.658 12.170 1.00 32.37 19 A 1 ATOM 159 C CB . LYS A 1 19 ? -11.763 4.613 11.078 1.00 32.35 19 A 1 ATOM 160 C CG . LYS A 1 19 ? -12.592 4.761 12.363 1.00 29.66 19 A 1 ATOM 161 C CD . LYS A 1 19 ? -13.827 5.635 12.098 1.00 28.23 19 A 1 ATOM 162 C CE . LYS A 1 19 ? -14.612 5.868 13.389 1.00 26.67 19 A 1 ATOM 163 N NZ . LYS A 1 19 ? -15.880 6.597 13.145 1.00 24.72 19 A 1 ATOM 164 N N . VAL A 1 20 ? -10.526 1.725 9.990 1.00 33.47 20 A 1 ATOM 165 C CA . VAL A 1 20 ? -10.659 0.275 9.744 1.00 33.72 20 A 1 ATOM 166 C C . VAL A 1 20 ? -9.430 -0.507 10.233 1.00 33.72 20 A 1 ATOM 167 O O . VAL A 1 20 ? -9.498 -1.715 10.423 1.00 32.61 20 A 1 ATOM 168 C CB . VAL A 1 20 ? -10.957 0.026 8.246 1.00 31.98 20 A 1 ATOM 169 C CG1 . VAL A 1 20 ? -11.171 -1.450 7.898 1.00 29.37 20 A 1 ATOM 170 C CG2 . VAL A 1 20 ? -12.228 0.777 7.803 1.00 29.33 20 A 1 ATOM 171 N N . MET A 1 21 ? -8.306 0.161 10.459 1.00 36.17 21 A 1 ATOM 172 C CA . MET A 1 21 ? -7.020 -0.489 10.746 1.00 37.04 21 A 1 ATOM 173 C C . MET A 1 21 ? -6.578 -0.367 12.215 1.00 37.44 21 A 1 ATOM 174 O O . MET A 1 21 ? -5.530 -0.887 12.572 1.00 36.47 21 A 1 ATOM 175 C CB . MET A 1 21 ? -5.956 0.069 9.784 1.00 35.14 21 A 1 ATOM 176 C CG . MET A 1 21 ? -6.290 -0.203 8.312 1.00 31.81 21 A 1 ATOM 177 S SD . MET A 1 21 ? -5.027 0.350 7.130 1.00 29.87 21 A 1 ATOM 178 C CE . MET A 1 21 ? -3.921 -1.083 7.164 1.00 28.48 21 A 1 ATOM 179 N N . HIS A 1 22 ? -7.328 0.306 13.066 1.00 33.74 22 A 1 ATOM 180 C CA . HIS A 1 22 ? -6.813 0.853 14.324 1.00 34.20 22 A 1 ATOM 181 C C . HIS A 1 22 ? -6.379 -0.168 15.383 1.00 34.71 22 A 1 ATOM 182 O O . HIS A 1 22 ? -5.572 0.185 16.232 1.00 33.43 22 A 1 ATOM 183 C CB . HIS A 1 22 ? -7.798 1.892 14.888 1.00 32.42 22 A 1 ATOM 184 C CG . HIS A 1 22 ? -7.158 3.258 14.991 1.00 30.21 22 A 1 ATOM 185 N ND1 . HIS A 1 22 ? -6.077 3.578 15.773 1.00 27.76 22 A 1 ATOM 186 C CD2 . HIS A 1 22 ? -7.489 4.388 14.287 1.00 27.77 22 A 1 ATOM 187 C CE1 . HIS A 1 22 ? -5.751 4.858 15.538 1.00 26.36 22 A 1 ATOM 188 N NE2 . HIS A 1 22 ? -6.590 5.401 14.638 1.00 26.64 22 A 1 ATOM 189 N N . ASP A 1 23 ? -6.842 -1.408 15.327 1.00 36.82 23 A 1 ATOM 190 C CA . ASP A 1 23 ? -6.620 -2.345 16.437 1.00 37.83 23 A 1 ATOM 191 C C . ASP A 1 23 ? -5.348 -3.197 16.318 1.00 38.32 23 A 1 ATOM 192 O O . ASP A 1 23 ? -4.936 -3.796 17.304 1.00 37.10 23 A 1 ATOM 193 C CB . ASP A 1 23 ? -7.881 -3.200 16.654 1.00 36.00 23 A 1 ATOM 194 C CG . ASP A 1 23 ? -9.087 -2.389 17.145 1.00 32.55 23 A 1 ATOM 195 O OD1 . ASP A 1 23 ? -8.884 -1.270 17.668 1.00 30.05 23 A 1 ATOM 196 O OD2 . ASP A 1 23 ? -10.219 -2.888 16.960 1.00 29.79 23 A 1 ATOM 197 N N . LYS A 1 24 ? -4.707 -3.273 15.143 1.00 37.91 24 A 1 ATOM 198 C CA . LYS A 1 24 ? -3.522 -4.137 14.912 1.00 38.70 24 A 1 ATOM 199 C C . LYS A 1 24 ? -2.579 -3.623 13.811 1.00 38.86 24 A 1 ATOM 200 O O . LYS A 1 24 ? -2.137 -4.393 12.961 1.00 38.34 24 A 1 ATOM 201 C CB . LYS A 1 24 ? -3.960 -5.589 14.612 1.00 37.38 24 A 1 ATOM 202 C CG . LYS A 1 24 ? -4.689 -6.272 15.772 1.00 33.87 24 A 1 ATOM 203 C CD . LYS A 1 24 ? -4.930 -7.756 15.488 1.00 32.69 24 A 1 ATOM 204 C CE . LYS A 1 24 ? -5.690 -8.342 16.679 1.00 29.87 24 A 1 ATOM 205 N NZ . LYS A 1 24 ? -6.028 -9.767 16.469 1.00 27.68 24 A 1 ATOM 206 N N . VAL A 1 25 ? -2.295 -2.339 13.792 1.00 42.79 25 A 1 ATOM 207 C CA . VAL A 1 25 ? -1.411 -1.736 12.783 1.00 43.58 25 A 1 ATOM 208 C C . VAL A 1 25 ? -0.017 -1.535 13.355 1.00 45.45 25 A 1 ATOM 209 O O . VAL A 1 25 ? 0.159 -0.792 14.319 1.00 44.45 25 A 1 ATOM 210 C CB . VAL A 1 25 ? -2.006 -0.421 12.259 1.00 41.45 25 A 1 ATOM 211 C CG1 . VAL A 1 25 ? -1.003 0.409 11.466 1.00 36.97 25 A 1 ATOM 212 C CG2 . VAL A 1 25 ? -3.195 -0.708 11.338 1.00 37.10 25 A 1 ATOM 213 N N . GLU A 1 26 ? 0.979 -2.129 12.709 1.00 43.27 26 A 1 ATOM 214 C CA . GLU A 1 26 ? 2.388 -1.861 12.973 1.00 46.36 26 A 1 ATOM 215 C C . GLU A 1 26 ? 2.945 -0.934 11.892 1.00 46.77 26 A 1 ATOM 216 O O . GLU A 1 26 ? 2.829 -1.196 10.695 1.00 47.18 26 A 1 ATOM 217 C CB . GLU A 1 26 ? 3.145 -3.192 13.072 1.00 45.98 26 A 1 ATOM 218 C CG . GLU A 1 26 ? 4.602 -2.988 13.501 1.00 41.38 26 A 1 ATOM 219 C CD . GLU A 1 26 ? 5.362 -4.311 13.684 1.00 38.85 26 A 1 ATOM 220 O OE1 . GLU A 1 26 ? 6.571 -4.224 13.996 1.00 36.67 26 A 1 ATOM 221 O OE2 . GLU A 1 26 ? 4.744 -5.386 13.511 1.00 38.06 26 A 1 ATOM 222 N N . ILE A 1 27 ? 3.536 0.180 12.315 1.00 47.29 27 A 1 ATOM 223 C CA . ILE A 1 27 ? 4.249 1.068 11.392 1.00 47.52 27 A 1 ATOM 224 C C . ILE A 1 27 ? 5.654 0.508 11.231 1.00 47.51 27 A 1 ATOM 225 O O . ILE A 1 27 ? 6.448 0.563 12.165 1.00 46.37 27 A 1 ATOM 226 C CB . ILE A 1 27 ? 4.256 2.535 11.877 1.00 45.59 27 A 1 ATOM 227 C CG1 . ILE A 1 27 ? 2.808 3.071 11.993 1.00 41.83 27 A 1 ATOM 228 C CG2 . ILE A 1 27 ? 5.091 3.399 10.911 1.00 41.61 27 A 1 ATOM 229 C CD1 . ILE A 1 27 ? 2.711 4.472 12.616 1.00 39.88 27 A 1 ATOM 230 N N . ILE A 1 28 ? 5.957 -0.002 10.045 1.00 47.76 28 A 1 ATOM 231 C CA . ILE A 1 28 ? 7.284 -0.546 9.738 1.00 47.68 28 A 1 ATOM 232 C C . ILE A 1 28 ? 8.278 0.595 9.536 1.00 47.72 28 A 1 ATOM 233 O O . ILE A 1 28 ? 9.379 0.559 10.078 1.00 45.27 28 A 1 ATOM 234 C CB . ILE A 1 28 ? 7.234 -1.452 8.485 1.00 45.06 28 A 1 ATOM 235 C CG1 . ILE A 1 28 ? 6.271 -2.643 8.690 1.00 42.05 28 A 1 ATOM 236 C CG2 . ILE A 1 28 ? 8.646 -1.960 8.129 1.00 42.32 28 A 1 ATOM 237 C CD1 . ILE A 1 28 ? 6.093 -3.491 7.425 1.00 40.39 28 A 1 ATOM 238 N N . ASN A 1 29 ? 7.914 1.592 8.746 1.00 48.29 29 A 1 ATOM 239 C CA . ASN A 1 29 ? 8.805 2.702 8.439 1.00 49.94 29 A 1 ATOM 240 C C . ASN A 1 29 ? 8.056 3.944 7.928 1.00 50.66 29 A 1 ATOM 241 O O . ASN A 1 29 ? 7.023 3.841 7.269 1.00 49.03 29 A 1 ATOM 242 C CB . ASN A 1 29 ? 9.860 2.232 7.418 1.00 47.34 29 A 1 ATOM 243 C CG . ASN A 1 29 ? 11.156 3.014 7.509 1.00 43.04 29 A 1 ATOM 244 O OD1 . ASN A 1 29 ? 11.306 3.938 8.291 1.00 40.12 29 A 1 ATOM 245 N ND2 . ASN A 1 29 ? 12.147 2.653 6.734 1.00 39.94 29 A 1 ATOM 246 N N . ASP A 1 30 ? 8.626 5.109 8.226 1.00 50.45 30 A 1 ATOM 247 C CA . ASP A 1 30 ? 8.233 6.397 7.664 1.00 52.11 30 A 1 ATOM 248 C C . ASP A 1 30 ? 9.419 6.967 6.878 1.00 51.84 30 A 1 ATOM 249 O O . ASP A 1 30 ? 10.500 7.163 7.436 1.00 50.68 30 A 1 ATOM 250 C CB . ASP A 1 30 ? 7.807 7.378 8.774 1.00 50.33 30 A 1 ATOM 251 C CG . ASP A 1 30 ? 6.347 7.287 9.243 1.00 46.44 30 A 1 ATOM 252 O OD1 . ASP A 1 30 ? 5.514 6.565 8.659 1.00 44.77 30 A 1 ATOM 253 O OD2 . ASP A 1 30 ? 5.964 8.087 10.138 1.00 44.63 30 A 1 ATOM 254 N N . PHE A 1 31 ? 9.217 7.266 5.610 1.00 51.64 31 A 1 ATOM 255 C CA . PHE A 1 31 ? 10.215 7.878 4.738 1.00 51.15 31 A 1 ATOM 256 C C . PHE A 1 31 ? 9.995 9.381 4.705 1.00 49.56 31 A 1 ATOM 257 O O . PHE A 1 31 ? 8.889 9.847 4.413 1.00 47.44 31 A 1 ATOM 258 C CB . PHE A 1 31 ? 10.151 7.263 3.336 1.00 49.52 31 A 1 ATOM 259 C CG . PHE A 1 31 ? 10.483 5.786 3.337 1.00 47.69 31 A 1 ATOM 260 C CD1 . PHE A 1 31 ? 11.812 5.360 3.163 1.00 44.98 31 A 1 ATOM 261 C CD2 . PHE A 1 31 ? 9.465 4.842 3.560 1.00 45.15 31 A 1 ATOM 262 C CE1 . PHE A 1 31 ? 12.121 3.989 3.202 1.00 41.94 31 A 1 ATOM 263 C CE2 . PHE A 1 31 ? 9.777 3.469 3.607 1.00 42.15 31 A 1 ATOM 264 C CZ . PHE A 1 31 ? 11.104 3.045 3.425 1.00 41.12 31 A 1 ATOM 265 N N . ASN A 1 32 ? 11.040 10.130 5.032 1.00 48.99 32 A 1 ATOM 266 C CA . ASN A 1 32 ? 10.997 11.585 5.056 1.00 49.92 32 A 1 ATOM 267 C C . ASN A 1 32 ? 12.221 12.137 4.318 1.00 49.31 32 A 1 ATOM 268 O O . ASN A 1 32 ? 13.334 11.670 4.544 1.00 47.81 32 A 1 ATOM 269 C CB . ASN A 1 32 ? 10.955 12.099 6.506 1.00 47.68 32 A 1 ATOM 270 C CG . ASN A 1 32 ? 9.839 11.508 7.346 1.00 43.56 32 A 1 ATOM 271 O OD1 . ASN A 1 32 ? 8.659 11.748 7.162 1.00 41.71 32 A 1 ATOM 272 N ND2 . ASN A 1 32 ? 10.177 10.707 8.329 1.00 41.39 32 A 1 ATOM 273 N N . THR A 1 33 ? 12.025 13.177 3.521 1.00 48.59 33 A 1 ATOM 274 C CA . THR A 1 33 ? 13.098 14.024 2.991 1.00 48.92 33 A 1 ATOM 275 C C . THR A 1 33 ? 12.806 15.469 3.365 1.00 49.00 33 A 1 ATOM 276 O O . THR A 1 33 ? 11.654 15.909 3.347 1.00 45.71 33 A 1 ATOM 277 C CB . THR A 1 33 ? 13.289 13.890 1.475 1.00 44.91 33 A 1 ATOM 278 O OG1 . THR A 1 33 ? 12.132 14.282 0.802 1.00 41.31 33 A 1 ATOM 279 C CG2 . THR A 1 33 ? 13.691 12.472 1.062 1.00 41.79 33 A 1 ATOM 280 N N . ASN A 1 34 ? 13.844 16.208 3.754 1.00 48.65 34 A 1 ATOM 281 C CA . ASN A 1 34 ? 13.713 17.624 4.117 1.00 49.46 34 A 1 ATOM 282 C C . ASN A 1 34 ? 12.547 17.900 5.091 1.00 49.70 34 A 1 ATOM 283 O O . ASN A 1 34 ? 11.721 18.782 4.860 1.00 47.12 34 A 1 ATOM 284 C CB . ASN A 1 34 ? 13.636 18.460 2.825 1.00 46.12 34 A 1 ATOM 285 C CG . ASN A 1 34 ? 14.843 18.271 1.933 1.00 41.74 34 A 1 ATOM 286 O OD1 . ASN A 1 34 ? 15.957 18.083 2.385 1.00 39.45 34 A 1 ATOM 287 N ND2 . ASN A 1 34 ? 14.671 18.310 0.636 1.00 38.80 34 A 1 ATOM 288 N N . GLU A 1 35 ? 12.453 17.077 6.151 1.00 47.24 35 A 1 ATOM 289 C CA . GLU A 1 35 ? 11.399 17.141 7.180 1.00 48.45 35 A 1 ATOM 290 C C . GLU A 1 35 ? 9.960 16.884 6.684 1.00 49.38 35 A 1 ATOM 291 O O . GLU A 1 35 ? 9.008 16.912 7.467 1.00 47.16 35 A 1 ATOM 292 C CB . GLU A 1 35 ? 11.483 18.446 7.982 1.00 46.16 35 A 1 ATOM 293 C CG . GLU A 1 35 ? 12.890 18.741 8.537 1.00 40.67 35 A 1 ATOM 294 C CD . GLU A 1 35 ? 12.916 20.017 9.392 1.00 38.38 35 A 1 ATOM 295 O OE1 . GLU A 1 35 ? 13.886 20.146 10.171 1.00 34.58 35 A 1 ATOM 296 O OE2 . GLU A 1 35 ? 11.969 20.834 9.282 1.00 37.98 35 A 1 ATOM 297 N N . LYS A 1 36 ? 9.774 16.579 5.406 1.00 52.32 36 A 1 ATOM 298 C CA . LYS A 1 36 ? 8.470 16.224 4.840 1.00 53.73 36 A 1 ATOM 299 C C . LYS A 1 36 ? 8.350 14.714 4.732 1.00 54.54 36 A 1 ATOM 300 O O . LYS A 1 36 ? 9.184 14.056 4.118 1.00 52.08 36 A 1 ATOM 301 C CB . LYS A 1 36 ? 8.258 16.897 3.487 1.00 51.15 36 A 1 ATOM 302 C CG . LYS A 1 36 ? 8.158 18.418 3.637 1.00 46.64 36 A 1 ATOM 303 C CD . LYS A 1 36 ? 7.969 19.078 2.274 1.00 46.00 36 A 1 ATOM 304 C CE . LYS A 1 36 ? 7.948 20.596 2.453 1.00 42.09 36 A 1 ATOM 305 N NZ . LYS A 1 36 ? 7.953 21.289 1.144 1.00 38.73 36 A 1 ATOM 306 N N . ARG A 1 37 ? 7.283 14.181 5.295 1.00 54.61 37 A 1 ATOM 307 C CA . ARG A 1 37 ? 6.961 12.763 5.149 1.00 55.85 37 A 1 ATOM 308 C C . ARG A 1 37 ? 6.530 12.475 3.713 1.00 58.21 37 A 1 ATOM 309 O O . ARG A 1 37 ? 5.559 13.058 3.236 1.00 56.58 37 A 1 ATOM 310 C CB . ARG A 1 37 ? 5.896 12.359 6.168 1.00 52.55 37 A 1 ATOM 311 C CG . ARG A 1 37 ? 5.638 10.848 6.109 1.00 47.76 37 A 1 ATOM 312 C CD . ARG A 1 37 ? 4.611 10.427 7.168 1.00 46.26 37 A 1 ATOM 313 N NE . ARG A 1 37 ? 5.138 10.554 8.530 1.00 42.45 37 A 1 ATOM 314 C CZ . ARG A 1 37 ? 4.452 10.748 9.634 1.00 39.55 37 A 1 ATOM 315 N NH1 . ARG A 1 37 ? 3.158 10.864 9.637 1.00 37.58 37 A 1 ATOM 316 N NH2 . ARG A 1 37 ? 5.083 10.833 10.766 1.00 35.89 37 A 1 ATOM 317 N N . GLU A 1 38 ? 7.212 11.530 3.086 1.00 54.65 38 A 1 ATOM 318 C CA . GLU A 1 38 ? 6.991 11.147 1.694 1.00 56.75 38 A 1 ATOM 319 C C . GLU A 1 38 ? 6.143 9.889 1.573 1.00 59.36 38 A 1 ATOM 320 O O . GLU A 1 38 ? 5.189 9.847 0.798 1.00 57.40 38 A 1 ATOM 321 C CB . GLU A 1 38 ? 8.333 10.910 1.016 1.00 54.37 38 A 1 ATOM 322 C CG . GLU A 1 38 ? 9.200 12.163 1.040 1.00 48.75 38 A 1 ATOM 323 C CD . GLU A 1 38 ? 10.435 11.987 0.171 1.00 46.19 38 A 1 ATOM 324 O OE1 . GLU A 1 38 ? 10.786 12.988 -0.485 1.00 44.00 38 A 1 ATOM 325 O OE2 . GLU A 1 38 ? 11.018 10.882 0.189 1.00 43.96 38 A 1 ATOM 326 N N . ALA A 1 39 ? 6.463 8.884 2.372 1.00 63.36 39 A 1 ATOM 327 C CA . ALA A 1 39 ? 5.736 7.627 2.370 1.00 64.26 39 A 1 ATOM 328 C C . ALA A 1 39 ? 5.708 6.992 3.764 1.00 64.99 39 A 1 ATOM 329 O O . ALA A 1 39 ? 6.535 7.281 4.624 1.00 63.96 39 A 1 ATOM 330 C CB . ALA A 1 39 ? 6.358 6.687 1.333 1.00 63.19 39 A 1 ATOM 331 N N . ARG A 1 40 ? 4.756 6.088 3.975 1.00 64.29 40 A 1 ATOM 332 C CA . ARG A 1 40 ? 4.646 5.255 5.174 1.00 64.43 40 A 1 ATOM 333 C C . ARG A 1 40 ? 4.388 3.815 4.776 1.00 65.26 40 A 1 ATOM 334 O O . ARG A 1 40 ? 3.519 3.555 3.946 1.00 64.47 40 A 1 ATOM 335 C CB . ARG A 1 40 ? 3.549 5.814 6.080 1.00 62.29 40 A 1 ATOM 336 C CG . ARG A 1 40 ? 3.229 4.881 7.257 1.00 56.53 40 A 1 ATOM 337 C CD . ARG A 1 40 ? 2.199 5.512 8.190 1.00 55.24 40 A 1 ATOM 338 N NE . ARG A 1 40 ? 2.794 6.590 8.984 1.00 50.83 40 A 1 ATOM 339 C CZ . ARG A 1 40 ? 2.183 7.352 9.853 1.00 47.18 40 A 1 ATOM 340 N NH1 . ARG A 1 40 ? 0.894 7.294 10.045 1.00 44.99 40 A 1 ATOM 341 N NH2 . ARG A 1 40 ? 2.890 8.186 10.553 1.00 42.75 40 A 1 ATOM 342 N N . ILE A 1 41 ? 5.088 2.900 5.420 1.00 64.07 41 A 1 ATOM 343 C CA . ILE A 1 41 ? 4.849 1.462 5.301 1.00 63.53 41 A 1 ATOM 344 C C . ILE A 1 41 ? 4.173 0.971 6.578 1.00 63.41 41 A 1 ATOM 345 O O . ILE A 1 41 ? 4.645 1.217 7.688 1.00 62.08 41 A 1 ATOM 346 C CB . ILE A 1 41 ? 6.136 0.677 4.990 1.00 62.21 41 A 1 ATOM 347 C CG1 . ILE A 1 41 ? 6.828 1.252 3.734 1.00 57.68 41 A 1 ATOM 348 C CG2 . ILE A 1 41 ? 5.783 -0.809 4.792 1.00 57.41 41 A 1 ATOM 349 C CD1 . ILE A 1 41 ? 8.072 0.478 3.292 1.00 54.89 41 A 1 ATOM 350 N N . ILE A 1 42 ? 3.069 0.283 6.399 1.00 64.24 42 A 1 ATOM 351 C CA . ILE A 1 42 ? 2.237 -0.268 7.467 1.00 63.65 42 A 1 ATOM 352 C C . ILE A 1 42 ? 2.105 -1.768 7.241 1.00 63.30 42 A 1 ATOM 353 O O . ILE A 1 42 ? 1.807 -2.196 6.130 1.00 61.36 42 A 1 ATOM 354 C CB . ILE A 1 42 ? 0.862 0.429 7.470 1.00 62.03 42 A 1 ATOM 355 C CG1 . ILE A 1 42 ? 1.012 1.953 7.718 1.00 57.07 42 A 1 ATOM 356 C CG2 . ILE A 1 42 ? -0.058 -0.210 8.513 1.00 57.32 42 A 1 ATOM 357 C CD1 . ILE A 1 42 ? -0.300 2.738 7.655 1.00 54.43 42 A 1 ATOM 358 N N . PHE A 1 43 ? 2.272 -2.549 8.287 1.00 59.98 43 A 1 ATOM 359 C CA . PHE A 1 43 ? 1.950 -3.970 8.285 1.00 59.06 43 A 1 ATOM 360 C C . PHE A 1 43 ? 0.655 -4.220 9.053 1.00 58.62 43 A 1 ATOM 361 O O . PHE A 1 43 ? 0.459 -3.697 10.151 1.00 56.86 43 A 1 ATOM 362 C CB . PHE A 1 43 ? 3.117 -4.762 8.859 1.00 57.24 43 A 1 ATOM 363 C CG . PHE A 1 43 ? 2.919 -6.262 8.804 1.00 53.05 43 A 1 ATOM 364 C CD1 . PHE A 1 43 ? 2.503 -6.965 9.950 1.00 49.23 43 A 1 ATOM 365 C CD2 . PHE A 1 43 ? 3.149 -6.959 7.606 1.00 48.72 43 A 1 ATOM 366 C CE1 . PHE A 1 43 ? 2.342 -8.362 9.898 1.00 44.73 43 A 1 ATOM 367 C CE2 . PHE A 1 43 ? 2.988 -8.353 7.554 1.00 45.12 43 A 1 ATOM 368 C CZ . PHE A 1 43 ? 2.590 -9.058 8.703 1.00 44.88 43 A 1 ATOM 369 N N . HIS A 1 44 ? -0.237 -5.010 8.474 1.00 58.06 44 A 1 ATOM 370 C CA . HIS A 1 44 ? -1.492 -5.410 9.100 1.00 58.64 44 A 1 ATOM 371 C C . HIS A 1 44 ? -2.030 -6.686 8.445 1.00 59.03 44 A 1 ATOM 372 O O . HIS A 1 44 ? -2.121 -6.761 7.223 1.00 57.03 44 A 1 ATOM 373 C CB . HIS A 1 44 ? -2.511 -4.278 8.977 1.00 56.78 44 A 1 ATOM 374 C CG . HIS A 1 44 ? -3.849 -4.641 9.563 1.00 52.40 44 A 1 ATOM 375 N ND1 . HIS A 1 44 ? -4.147 -4.762 10.898 1.00 49.07 44 A 1 ATOM 376 C CD2 . HIS A 1 44 ? -4.985 -4.953 8.867 1.00 47.19 44 A 1 ATOM 377 C CE1 . HIS A 1 44 ? -5.433 -5.143 11.003 1.00 46.95 44 A 1 ATOM 378 N NE2 . HIS A 1 44 ? -5.983 -5.266 9.791 1.00 47.08 44 A 1 ATOM 379 N N . ASP A 1 45 ? -2.401 -7.675 9.248 1.00 59.15 45 A 1 ATOM 380 C CA . ASP A 1 45 ? -3.037 -8.922 8.799 1.00 60.51 45 A 1 ATOM 381 C C . ASP A 1 45 ? -2.331 -9.581 7.590 1.00 61.49 45 A 1 ATOM 382 O O . ASP A 1 45 ? -2.920 -9.830 6.537 1.00 59.54 45 A 1 ATOM 383 C CB . ASP A 1 45 ? -4.542 -8.683 8.577 1.00 58.11 45 A 1 ATOM 384 C CG . ASP A 1 45 ? -5.307 -9.990 8.353 1.00 52.76 45 A 1 ATOM 385 O OD1 . ASP A 1 45 ? -4.923 -10.996 8.993 1.00 49.98 45 A 1 ATOM 386 O OD2 . ASP A 1 45 ? -6.254 -9.968 7.535 1.00 48.57 45 A 1 ATOM 387 N N . GLN A 1 46 ? -1.022 -9.807 7.734 1.00 58.45 46 A 1 ATOM 388 C CA . GLN A 1 46 ? -0.156 -10.369 6.683 1.00 58.65 46 A 1 ATOM 389 C C . GLN A 1 46 ? -0.091 -9.535 5.391 1.00 60.45 46 A 1 ATOM 390 O O . GLN A 1 46 ? 0.330 -10.032 4.344 1.00 58.36 46 A 1 ATOM 391 C CB . GLN A 1 46 ? -0.521 -11.833 6.384 1.00 56.27 46 A 1 ATOM 392 C CG . GLN A 1 46 ? -0.532 -12.732 7.627 1.00 50.45 46 A 1 ATOM 393 C CD . GLN A 1 46 ? -0.944 -14.165 7.298 1.00 46.65 46 A 1 ATOM 394 O OE1 . GLN A 1 46 ? -1.217 -14.552 6.167 1.00 43.94 46 A 1 ATOM 395 N NE2 . GLN A 1 46 ? -1.016 -15.025 8.289 1.00 42.17 46 A 1 ATOM 396 N N . LYS A 1 47 ? -0.493 -8.287 5.450 1.00 60.88 47 A 1 ATOM 397 C CA . LYS A 1 47 ? -0.453 -7.349 4.333 1.00 62.22 47 A 1 ATOM 398 C C . LYS A 1 47 ? 0.472 -6.183 4.635 1.00 62.99 47 A 1 ATOM 399 O O . LYS A 1 47 ? 0.585 -5.738 5.772 1.00 62.36 47 A 1 ATOM 400 C CB . LYS A 1 47 ? -1.856 -6.855 3.997 1.00 60.20 47 A 1 ATOM 401 C CG . LYS A 1 47 ? -2.795 -7.989 3.574 1.00 55.17 47 A 1 ATOM 402 C CD . LYS A 1 47 ? -4.180 -7.391 3.395 1.00 54.19 47 A 1 ATOM 403 C CE . LYS A 1 47 ? -5.191 -8.407 2.899 1.00 49.99 47 A 1 ATOM 404 N NZ . LYS A 1 47 ? -6.407 -7.672 2.459 1.00 47.23 47 A 1 ATOM 405 N N . ILE A 1 48 ? 1.108 -5.693 3.591 1.00 62.73 48 A 1 ATOM 406 C CA . ILE A 1 48 ? 1.919 -4.483 3.617 1.00 62.68 48 A 1 ATOM 407 C C . ILE A 1 48 ? 1.181 -3.420 2.821 1.00 63.21 48 A 1 ATOM 408 O O . ILE A 1 48 ? 0.808 -3.637 1.672 1.00 61.58 48 A 1 ATOM 409 C CB . ILE A 1 48 ? 3.340 -4.744 3.082 1.00 61.39 48 A 1 ATOM 410 C CG1 . ILE A 1 48 ? 4.071 -5.779 3.968 1.00 56.32 48 A 1 ATOM 411 C CG2 . ILE A 1 48 ? 4.135 -3.431 3.026 1.00 56.17 48 A 1 ATOM 412 C CD1 . ILE A 1 48 ? 5.404 -6.260 3.392 1.00 53.61 48 A 1 ATOM 413 N N . TYR A 1 49 ? 0.995 -2.273 3.437 1.00 64.92 49 A 1 ATOM 414 C CA . TYR A 1 49 ? 0.407 -1.095 2.820 1.00 64.85 49 A 1 ATOM 415 C C . TYR A 1 49 ? 1.471 -0.018 2.701 1.00 65.55 49 A 1 ATOM 416 O O . TYR A 1 49 ? 2.080 0.365 3.697 1.00 64.90 49 A 1 ATOM 417 C CB . TYR A 1 49 ? -0.787 -0.613 3.635 1.00 63.16 49 A 1 ATOM 418 C CG . TYR A 1 49 ? -1.884 -1.648 3.785 1.00 59.86 49 A 1 ATOM 419 C CD1 . TYR A 1 49 ? -2.935 -1.706 2.852 1.00 56.56 49 A 1 ATOM 420 C CD2 . TYR A 1 49 ? -1.846 -2.562 4.857 1.00 55.02 49 A 1 ATOM 421 C CE1 . TYR A 1 49 ? -3.950 -2.668 2.992 1.00 52.08 49 A 1 ATOM 422 C CE2 . TYR A 1 49 ? -2.856 -3.532 4.995 1.00 52.51 49 A 1 ATOM 423 C CZ . TYR A 1 49 ? -3.912 -3.584 4.062 1.00 51.39 49 A 1 ATOM 424 O OH . TYR A 1 49 ? -4.889 -4.517 4.198 1.00 50.81 49 A 1 ATOM 425 N N . VAL A 1 50 ? 1.682 0.494 1.494 1.00 66.71 50 A 1 ATOM 426 C CA . VAL A 1 50 ? 2.542 1.659 1.257 1.00 66.47 50 A 1 ATOM 427 C C . VAL A 1 50 ? 1.650 2.839 0.909 1.00 66.52 50 A 1 ATOM 428 O O . VAL A 1 50 ? 0.851 2.762 -0.022 1.00 65.66 50 A 1 ATOM 429 C CB . VAL A 1 50 ? 3.587 1.402 0.160 1.00 65.21 50 A 1 ATOM 430 C CG1 . VAL A 1 50 ? 4.555 2.585 0.041 1.00 59.95 50 A 1 ATOM 431 C CG2 . VAL A 1 50 ? 4.396 0.130 0.428 1.00 61.08 50 A 1 ATOM 432 N N . ILE A 1 51 ? 1.774 3.912 1.678 1.00 66.25 51 A 1 ATOM 433 C CA . ILE A 1 51 ? 0.984 5.134 1.532 1.00 64.99 51 A 1 ATOM 434 C C . ILE A 1 51 ? 1.916 6.247 1.075 1.00 65.25 51 A 1 ATOM 435 O O . ILE A 1 51 ? 2.859 6.576 1.793 1.00 63.54 51 A 1 ATOM 436 C CB . ILE A 1 51 ? 0.299 5.511 2.864 1.00 63.00 51 A 1 ATOM 437 C CG1 . ILE A 1 51 ? -0.523 4.329 3.428 1.00 57.48 51 A 1 ATOM 438 C CG2 . ILE A 1 51 ? -0.566 6.773 2.665 1.00 56.95 51 A 1 ATOM 439 C CD1 . ILE A 1 51 ? -1.143 4.601 4.799 1.00 54.01 51 A 1 ATOM 440 N N . LEU A 1 52 ? 1.640 6.853 -0.065 1.00 64.52 52 A 1 ATOM 441 C CA . LEU A 1 52 ? 2.392 8.000 -0.565 1.00 63.46 52 A 1 ATOM 442 C C . LEU A 1 52 ? 1.743 9.312 -0.110 1.00 62.70 52 A 1 ATOM 443 O O . LEU A 1 52 ? 0.555 9.545 -0.323 1.00 60.23 52 A 1 ATOM 444 C CB . LEU A 1 52 ? 2.508 7.939 -2.096 1.00 61.95 52 A 1 ATOM 445 C CG . LEU A 1 52 ? 3.069 6.628 -2.677 1.00 57.36 52 A 1 ATOM 446 C CD1 . LEU A 1 52 ? 3.254 6.793 -4.184 1.00 55.32 52 A 1 ATOM 447 C CD2 . LEU A 1 52 ? 4.414 6.236 -2.066 1.00 55.16 52 A 1 ATOM 448 N N . TYR A 1 53 ? 2.538 10.194 0.505 1.00 63.06 53 A 1 ATOM 449 C CA . TYR A 1 53 ? 2.092 11.521 0.941 1.00 61.77 53 A 1 ATOM 450 C C . TYR A 1 53 ? 2.364 12.619 -0.089 1.00 60.88 53 A 1 ATOM 451 O O . TYR A 1 53 ? 1.795 13.709 0.004 1.00 58.44 53 A 1 ATOM 452 C CB . TYR A 1 53 ? 2.738 11.851 2.283 1.00 59.75 53 A 1 ATOM 453 C CG . TYR A 1 53 ? 2.310 10.933 3.406 1.00 57.46 53 A 1 ATOM 454 C CD1 . TYR A 1 53 ? 0.966 10.929 3.834 1.00 54.45 53 A 1 ATOM 455 C CD2 . TYR A 1 53 ? 3.245 10.089 4.022 1.00 53.52 53 A 1 ATOM 456 C CE1 . TYR A 1 53 ? 0.564 10.095 4.890 1.00 51.00 53 A 1 ATOM 457 C CE2 . TYR A 1 53 ? 2.846 9.256 5.081 1.00 50.77 53 A 1 ATOM 458 C CZ . TYR A 1 53 ? 1.505 9.265 5.524 1.00 50.04 53 A 1 ATOM 459 O OH . TYR A 1 53 ? 1.128 8.481 6.566 1.00 49.53 53 A 1 ATOM 460 N N . GLN A 1 54 ? 3.206 12.315 -1.071 1.00 60.11 54 A 1 ATOM 461 C CA . GLN A 1 54 ? 3.509 13.190 -2.198 1.00 60.71 54 A 1 ATOM 462 C C . GLN A 1 54 ? 3.566 12.379 -3.494 1.00 60.78 54 A 1 ATOM 463 O O . GLN A 1 54 ? 3.428 11.157 -3.470 1.00 57.93 54 A 1 ATOM 464 C CB . GLN A 1 54 ? 4.809 13.954 -1.919 1.00 59.00 54 A 1 ATOM 465 C CG . GLN A 1 54 ? 6.061 13.067 -1.811 1.00 55.25 54 A 1 ATOM 466 C CD . GLN A 1 54 ? 7.301 13.902 -1.514 1.00 52.90 54 A 1 ATOM 467 O OE1 . GLN A 1 54 ? 7.221 14.957 -0.901 1.00 49.82 54 A 1 ATOM 468 N NE2 . GLN A 1 54 ? 8.464 13.483 -1.941 1.00 47.88 54 A 1 ATOM 469 N N . ASN A 1 55 ? 3.712 13.069 -4.614 1.00 61.05 55 A 1 ATOM 470 C CA . ASN A 1 55 ? 3.960 12.391 -5.881 1.00 60.68 55 A 1 ATOM 471 C C . ASN A 1 55 ? 5.386 11.841 -5.857 1.00 61.64 55 A 1 ATOM 472 O O . ASN A 1 55 ? 6.307 12.605 -5.582 1.00 59.57 55 A 1 ATOM 473 C CB . ASN A 1 55 ? 3.756 13.360 -7.054 1.00 58.22 55 A 1 ATOM 474 C CG . ASN A 1 55 ? 2.343 13.902 -7.174 1.00 53.54 55 A 1 ATOM 475 O OD1 . ASN A 1 55 ? 1.408 13.507 -6.493 1.00 50.14 55 A 1 ATOM 476 N ND2 . ASN A 1 55 ? 2.131 14.861 -8.043 1.00 49.36 55 A 1 ATOM 477 N N . LEU A 1 56 ? 5.546 10.557 -6.128 1.00 59.35 56 A 1 ATOM 478 C CA . LEU A 1 56 ? 6.843 9.904 -6.236 1.00 59.45 56 A 1 ATOM 479 C C . LEU A 1 56 ? 6.969 9.283 -7.620 1.00 58.44 56 A 1 ATOM 480 O O . LEU A 1 56 ? 6.034 8.645 -8.115 1.00 55.73 56 A 1 ATOM 481 C CB . LEU A 1 56 ? 7.022 8.849 -5.135 1.00 57.64 56 A 1 ATOM 482 C CG . LEU A 1 56 ? 7.064 9.394 -3.698 1.00 54.97 56 A 1 ATOM 483 C CD1 . LEU A 1 56 ? 7.251 8.238 -2.713 1.00 53.78 56 A 1 ATOM 484 C CD2 . LEU A 1 56 ? 8.207 10.378 -3.466 1.00 53.47 56 A 1 ATOM 485 N N . ASN A 1 57 ? 8.131 9.467 -8.242 1.00 56.31 57 A 1 ATOM 486 C CA . ASN A 1 57 ? 8.472 8.748 -9.459 1.00 56.17 57 A 1 ATOM 487 C C . ASN A 1 57 ? 9.006 7.345 -9.125 1.00 56.71 57 A 1 ATOM 488 O O . ASN A 1 57 ? 9.238 6.990 -7.967 1.00 54.88 57 A 1 ATOM 489 C CB . ASN A 1 57 ? 9.404 9.625 -10.320 1.00 53.25 57 A 1 ATOM 490 C CG . ASN A 1 57 ? 10.786 9.783 -9.726 1.00 48.69 57 A 1 ATOM 491 O OD1 . ASN A 1 57 ? 11.443 8.815 -9.407 1.00 46.36 57 A 1 ATOM 492 N ND2 . ASN A 1 57 ? 11.277 10.984 -9.580 1.00 45.67 57 A 1 ATOM 493 N N . PHE A 1 58 ? 9.197 6.527 -10.150 1.00 50.61 58 A 1 ATOM 494 C CA . PHE A 1 58 ? 9.644 5.147 -9.957 1.00 50.02 58 A 1 ATOM 495 C C . PHE A 1 58 ? 11.032 5.041 -9.314 1.00 51.10 58 A 1 ATOM 496 O O . PHE A 1 58 ? 11.252 4.145 -8.504 1.00 49.42 58 A 1 ATOM 497 C CB . PHE A 1 58 ? 9.623 4.426 -11.301 1.00 46.76 58 A 1 ATOM 498 C CG . PHE A 1 58 ? 10.046 2.975 -11.218 1.00 43.59 58 A 1 ATOM 499 C CD1 . PHE A 1 58 ? 11.218 2.540 -11.865 1.00 40.39 58 A 1 ATOM 500 C CD2 . PHE A 1 58 ? 9.272 2.062 -10.487 1.00 40.41 58 A 1 ATOM 501 C CE1 . PHE A 1 58 ? 11.594 1.187 -11.807 1.00 36.67 58 A 1 ATOM 502 C CE2 . PHE A 1 58 ? 9.653 0.710 -10.423 1.00 37.04 58 A 1 ATOM 503 C CZ . PHE A 1 58 ? 10.809 0.272 -11.089 1.00 37.11 58 A 1 ATOM 504 N N . GLU A 1 59 ? 11.960 5.928 -9.647 1.00 53.34 59 A 1 ATOM 505 C CA . GLU A 1 59 ? 13.299 5.915 -9.057 1.00 54.94 59 A 1 ATOM 506 C C . GLU A 1 59 ? 13.243 6.242 -7.563 1.00 56.27 59 A 1 ATOM 507 O O . GLU A 1 59 ? 13.865 5.554 -6.760 1.00 54.38 59 A 1 ATOM 508 C CB . GLU A 1 59 ? 14.238 6.879 -9.799 1.00 53.43 59 A 1 ATOM 509 C CG . GLU A 1 59 ? 14.504 6.492 -11.268 1.00 48.16 59 A 1 ATOM 510 C CD . GLU A 1 59 ? 15.073 5.071 -11.432 1.00 45.41 59 A 1 ATOM 511 O OE1 . GLU A 1 59 ? 14.685 4.357 -12.384 1.00 42.00 59 A 1 ATOM 512 O OE2 . GLU A 1 59 ? 15.847 4.595 -10.570 1.00 42.65 59 A 1 ATOM 513 N N . GLU A 1 60 ? 12.432 7.201 -7.166 1.00 53.24 60 A 1 ATOM 514 C CA . GLU A 1 60 ? 12.186 7.521 -5.756 1.00 54.40 60 A 1 ATOM 515 C C . GLU A 1 60 ? 11.520 6.352 -5.015 1.00 54.68 60 A 1 ATOM 516 O O . GLU A 1 60 ? 11.889 6.039 -3.883 1.00 54.02 60 A 1 ATOM 517 C CB . GLU A 1 60 ? 11.307 8.771 -5.673 1.00 53.73 60 A 1 ATOM 518 C CG . GLU A 1 60 ? 12.041 10.040 -6.140 1.00 48.56 60 A 1 ATOM 519 C CD . GLU A 1 60 ? 11.097 11.230 -6.379 1.00 46.76 60 A 1 ATOM 520 O OE1 . GLU A 1 60 ? 11.531 12.373 -6.165 1.00 45.93 60 A 1 ATOM 521 O OE2 . GLU A 1 60 ? 9.972 11.001 -6.885 1.00 46.17 60 A 1 ATOM 522 N N . LEU A 1 61 ? 10.591 5.648 -5.661 1.00 53.94 61 A 1 ATOM 523 C CA . LEU A 1 61 ? 9.969 4.453 -5.087 1.00 53.10 61 A 1 ATOM 524 C C . LEU A 1 61 ? 10.951 3.290 -4.906 1.00 52.08 61 A 1 ATOM 525 O O . LEU A 1 61 ? 10.765 2.493 -3.986 1.00 50.14 61 A 1 ATOM 526 C CB . LEU A 1 61 ? 8.779 4.020 -5.954 1.00 51.67 61 A 1 ATOM 527 C CG . LEU A 1 61 ? 7.539 4.915 -5.810 1.00 48.60 61 A 1 ATOM 528 C CD1 . LEU A 1 61 ? 6.521 4.539 -6.885 1.00 46.89 61 A 1 ATOM 529 C CD2 . LEU A 1 61 ? 6.858 4.728 -4.454 1.00 46.49 61 A 1 ATOM 530 N N . LYS A 1 62 ? 12.000 3.187 -5.731 1.00 50.73 62 A 1 ATOM 531 C CA . LYS A 1 62 ? 13.061 2.190 -5.516 1.00 50.78 62 A 1 ATOM 532 C C . LYS A 1 62 ? 13.813 2.432 -4.210 1.00 50.19 62 A 1 ATOM 533 O O . LYS A 1 62 ? 14.288 1.473 -3.622 1.00 48.87 62 A 1 ATOM 534 C CB . LYS A 1 62 ? 14.074 2.186 -6.664 1.00 49.40 62 A 1 ATOM 535 C CG . LYS A 1 62 ? 13.552 1.617 -7.982 1.00 45.71 62 A 1 ATOM 536 C CD . LYS A 1 62 ? 14.650 1.821 -9.033 1.00 44.71 62 A 1 ATOM 537 C CE . LYS A 1 62 ? 14.221 1.386 -10.425 1.00 41.50 62 A 1 ATOM 538 N NZ . LYS A 1 62 ? 15.204 1.899 -11.419 1.00 38.46 62 A 1 ATOM 539 N N . TRP A 1 63 ? 13.906 3.663 -3.731 1.00 45.46 63 A 1 ATOM 540 C CA . TRP A 1 63 ? 14.557 3.972 -2.457 1.00 44.50 63 A 1 ATOM 541 C C . TRP A 1 63 ? 13.707 3.616 -1.233 1.00 44.28 63 A 1 ATOM 542 O O . TRP A 1 63 ? 14.240 3.559 -0.124 1.00 42.84 63 A 1 ATOM 543 C CB . TRP A 1 63 ? 14.993 5.437 -2.440 1.00 42.05 63 A 1 ATOM 544 C CG . TRP A 1 63 ? 15.998 5.783 -3.492 1.00 39.76 63 A 1 ATOM 545 C CD1 . TRP A 1 63 ? 15.738 6.415 -4.656 1.00 36.38 63 A 1 ATOM 546 C CD2 . TRP A 1 63 ? 17.427 5.494 -3.505 1.00 37.34 63 A 1 ATOM 547 N NE1 . TRP A 1 63 ? 16.900 6.537 -5.394 1.00 34.55 63 A 1 ATOM 548 C CE2 . TRP A 1 63 ? 17.971 5.987 -4.729 1.00 35.17 63 A 1 ATOM 549 C CE3 . TRP A 1 63 ? 18.313 4.874 -2.603 1.00 35.53 63 A 1 ATOM 550 C CZ2 . TRP A 1 63 ? 19.335 5.869 -5.045 1.00 33.53 63 A 1 ATOM 551 C CZ3 . TRP A 1 63 ? 19.680 4.750 -2.911 1.00 33.04 63 A 1 ATOM 552 C CH2 . TRP A 1 63 ? 20.194 5.247 -4.131 1.00 32.21 63 A 1 ATOM 553 N N . LEU A 1 64 ? 12.424 3.281 -1.400 1.00 48.78 64 A 1 ATOM 554 C CA . LEU A 1 64 ? 11.617 2.619 -0.359 1.00 48.53 64 A 1 ATOM 555 C C . LEU A 1 64 ? 12.056 1.154 -0.121 1.00 48.07 64 A 1 ATOM 556 O O . LEU A 1 64 ? 11.333 0.370 0.487 1.00 45.35 64 A 1 ATOM 557 C CB . LEU A 1 64 ? 10.112 2.734 -0.681 1.00 46.71 64 A 1 ATOM 558 C CG . LEU A 1 64 ? 9.576 4.153 -0.926 1.00 44.27 64 A 1 ATOM 559 C CD1 . LEU A 1 64 ? 8.096 4.098 -1.306 1.00 43.07 64 A 1 ATOM 560 C CD2 . LEU A 1 64 ? 9.694 5.042 0.306 1.00 42.57 64 A 1 ATOM 561 N N . ASN A 1 65 ? 13.251 0.791 -0.600 1.00 43.93 65 A 1 ATOM 562 C CA . ASN A 1 65 ? 13.873 -0.525 -0.582 1.00 43.76 65 A 1 ATOM 563 C C . ASN A 1 65 ? 14.112 -1.055 0.843 1.00 44.05 65 A 1 ATOM 564 O O . ASN A 1 65 ? 15.230 -1.094 1.346 1.00 42.53 65 A 1 ATOM 565 C CB . ASN A 1 65 ? 15.176 -0.483 -1.413 1.00 40.73 65 A 1 ATOM 566 C CG . ASN A 1 65 ? 15.073 -1.103 -2.791 1.00 37.04 65 A 1 ATOM 567 O OD1 . ASN A 1 65 ? 14.226 -1.923 -3.087 1.00 34.50 65 A 1 ATOM 568 N ND2 . ASN A 1 65 ? 15.981 -0.774 -3.679 1.00 34.19 65 A 1 ATOM 569 N N . PHE A 1 66 ? 13.070 -1.569 1.439 1.00 40.88 66 A 1 ATOM 570 C CA . PHE A 1 66 ? 13.118 -2.731 2.303 1.00 40.19 66 A 1 ATOM 571 C C . PHE A 1 66 ? 12.166 -3.775 1.712 1.00 40.53 66 A 1 ATOM 572 O O . PHE A 1 66 ? 10.978 -3.781 1.988 1.00 39.10 66 A 1 ATOM 573 C CB . PHE A 1 66 ? 12.828 -2.348 3.762 1.00 37.70 66 A 1 ATOM 574 C CG . PHE A 1 66 ? 14.037 -1.750 4.470 1.00 35.15 66 A 1 ATOM 575 C CD1 . PHE A 1 66 ? 14.982 -2.599 5.088 1.00 32.89 66 A 1 ATOM 576 C CD2 . PHE A 1 66 ? 14.233 -0.360 4.497 1.00 33.35 66 A 1 ATOM 577 C CE1 . PHE A 1 66 ? 16.112 -2.055 5.726 1.00 30.66 66 A 1 ATOM 578 C CE2 . PHE A 1 66 ? 15.368 0.182 5.131 1.00 30.85 66 A 1 ATOM 579 C CZ . PHE A 1 66 ? 16.306 -0.663 5.746 1.00 30.61 66 A 1 ATOM 580 N N . TYR A 1 67 ? 12.736 -4.639 0.855 1.00 37.66 67 A 1 ATOM 581 C CA . TYR A 1 67 ? 12.093 -5.878 0.378 1.00 38.14 67 A 1 ATOM 582 C C . TYR A 1 67 ? 10.892 -5.760 -0.576 1.00 39.15 67 A 1 ATOM 583 O O . TYR A 1 67 ? 10.260 -6.775 -0.868 1.00 37.79 67 A 1 ATOM 584 C CB . TYR A 1 67 ? 11.804 -6.791 1.574 1.00 34.92 67 A 1 ATOM 585 C CG . TYR A 1 67 ? 12.995 -6.984 2.490 1.00 31.80 67 A 1 ATOM 586 C CD1 . TYR A 1 67 ? 13.987 -7.924 2.151 1.00 29.07 67 A 1 ATOM 587 C CD2 . TYR A 1 67 ? 13.139 -6.204 3.652 1.00 28.70 67 A 1 ATOM 588 C CE1 . TYR A 1 67 ? 15.115 -8.086 2.973 1.00 26.07 67 A 1 ATOM 589 C CE2 . TYR A 1 67 ? 14.271 -6.362 4.474 1.00 26.18 67 A 1 ATOM 590 C CZ . TYR A 1 67 ? 15.259 -7.307 4.135 1.00 25.57 67 A 1 ATOM 591 O OH . TYR A 1 67 ? 16.354 -7.469 4.927 1.00 24.13 67 A 1 ATOM 592 N N . ILE A 1 68 ? 10.577 -4.579 -1.106 1.00 44.66 68 A 1 ATOM 593 C CA . ILE A 1 68 ? 9.469 -4.392 -2.050 1.00 44.42 68 A 1 ATOM 594 C C . ILE A 1 68 ? 10.015 -3.856 -3.376 1.00 43.81 68 A 1 ATOM 595 O O . ILE A 1 68 ? 10.237 -2.663 -3.540 1.00 42.30 68 A 1 ATOM 596 C CB . ILE A 1 68 ? 8.350 -3.505 -1.457 1.00 43.44 68 A 1 ATOM 597 C CG1 . ILE A 1 68 ? 7.828 -4.079 -0.116 1.00 41.25 68 A 1 ATOM 598 C CG2 . ILE A 1 68 ? 7.197 -3.398 -2.469 1.00 40.98 68 A 1 ATOM 599 C CD1 . ILE A 1 68 ? 6.799 -3.185 0.592 1.00 39.76 68 A 1 ATOM 600 N N . LEU A 1 69 ? 10.225 -4.735 -4.351 1.00 42.19 69 A 1 ATOM 601 C CA . LEU A 1 69 ? 10.532 -4.354 -5.729 1.00 41.65 69 A 1 ATOM 602 C C . LEU A 1 69 ? 9.227 -4.029 -6.463 1.00 41.46 69 A 1 ATOM 603 O O . LEU A 1 69 ? 8.520 -4.928 -6.917 1.00 39.10 69 A 1 ATOM 604 C CB . LEU A 1 69 ? 11.320 -5.483 -6.417 1.00 38.16 69 A 1 ATOM 605 C CG . LEU A 1 69 ? 12.795 -5.584 -5.992 1.00 34.24 69 A 1 ATOM 606 C CD1 . LEU A 1 69 ? 13.348 -6.967 -6.347 1.00 31.13 69 A 1 ATOM 607 C CD2 . LEU A 1 69 ? 13.653 -4.541 -6.703 1.00 31.40 69 A 1 ATOM 608 N N . ILE A 1 70 ? 8.900 -2.754 -6.567 1.00 42.29 70 A 1 ATOM 609 C CA . ILE A 1 70 ? 7.795 -2.312 -7.418 1.00 41.35 70 A 1 ATOM 610 C C . ILE A 1 70 ? 8.315 -2.302 -8.860 1.00 39.54 70 A 1 ATOM 611 O O . ILE A 1 70 ? 9.191 -1.513 -9.203 1.00 37.44 70 A 1 ATOM 612 C CB . ILE A 1 70 ? 7.238 -0.947 -6.955 1.00 40.06 70 A 1 ATOM 613 C CG1 . ILE A 1 70 ? 6.779 -1.026 -5.474 1.00 38.15 70 A 1 ATOM 614 C CG2 . ILE A 1 70 ? 6.072 -0.511 -7.865 1.00 38.23 70 A 1 ATOM 615 C CD1 . ILE A 1 70 ? 6.258 0.292 -4.894 1.00 36.93 70 A 1 ATOM 616 N N . TYR A 1 71 ? 7.814 -3.189 -9.708 1.00 37.47 71 A 1 ATOM 617 C CA . TYR A 1 71 ? 8.149 -3.211 -11.130 1.00 36.93 71 A 1 ATOM 618 C C . TYR A 1 71 ? 7.201 -2.304 -11.915 1.00 36.18 71 A 1 ATOM 619 O O . TYR A 1 71 ? 5.984 -2.450 -11.840 1.00 33.83 71 A 1 ATOM 620 C CB . TYR A 1 71 ? 8.137 -4.644 -11.676 1.00 33.56 71 A 1 ATOM 621 C CG . TYR A 1 71 ? 9.333 -5.480 -11.256 1.00 31.25 71 A 1 ATOM 622 C CD1 . TYR A 1 71 ? 10.510 -5.464 -12.033 1.00 29.26 71 A 1 ATOM 623 C CD2 . TYR A 1 71 ? 9.273 -6.273 -10.098 1.00 29.11 71 A 1 ATOM 624 C CE1 . TYR A 1 71 ? 11.620 -6.244 -11.654 1.00 27.18 71 A 1 ATOM 625 C CE2 . TYR A 1 71 ? 10.382 -7.049 -9.712 1.00 27.48 71 A 1 ATOM 626 C CZ . TYR A 1 71 ? 11.556 -7.039 -10.491 1.00 26.91 71 A 1 ATOM 627 O OH . TYR A 1 71 ? 12.629 -7.795 -10.118 1.00 25.37 71 A 1 ATOM 628 N N . GLY A 1 72 ? 7.773 -1.401 -12.698 1.00 39.80 72 A 1 ATOM 629 C CA . GLY A 1 72 ? 7.016 -0.504 -13.572 1.00 39.10 72 A 1 ATOM 630 C C . GLY A 1 72 ? 7.557 0.917 -13.500 1.00 38.77 72 A 1 ATOM 631 O O . GLY A 1 72 ? 7.480 1.544 -12.454 1.00 36.11 72 A 1 ATOM 632 N N . ASN A 1 73 ? 8.094 1.425 -14.599 1.00 41.56 73 A 1 ATOM 633 C CA . ASN A 1 73 ? 8.578 2.801 -14.687 1.00 42.40 73 A 1 ATOM 634 C C . ASN A 1 73 ? 7.394 3.781 -14.753 1.00 43.38 73 A 1 ATOM 635 O O . ASN A 1 73 ? 7.086 4.344 -15.801 1.00 41.15 73 A 1 ATOM 636 C CB . ASN A 1 73 ? 9.559 2.920 -15.866 1.00 38.51 73 A 1 ATOM 637 C CG . ASN A 1 73 ? 10.380 4.198 -15.787 1.00 34.36 73 A 1 ATOM 638 O OD1 . ASN A 1 73 ? 10.474 4.832 -14.751 1.00 32.18 73 A 1 ATOM 639 N ND2 . ASN A 1 73 ? 11.025 4.595 -16.857 1.00 32.00 73 A 1 ATOM 640 N N . GLN A 1 74 ? 6.668 3.878 -13.655 1.00 46.55 74 A 1 ATOM 641 C CA . GLN A 1 74 ? 5.462 4.684 -13.523 1.00 50.59 74 A 1 ATOM 642 C C . GLN A 1 74 ? 5.637 5.710 -12.407 1.00 52.15 74 A 1 ATOM 643 O O . GLN A 1 74 ? 6.329 5.465 -11.418 1.00 50.37 74 A 1 ATOM 644 C CB . GLN A 1 74 ? 4.241 3.783 -13.269 1.00 49.30 74 A 1 ATOM 645 C CG . GLN A 1 74 ? 3.937 2.858 -14.463 1.00 45.31 74 A 1 ATOM 646 C CD . GLN A 1 74 ? 2.676 2.018 -14.280 1.00 42.83 74 A 1 ATOM 647 O OE1 . GLN A 1 74 ? 1.924 2.127 -13.326 1.00 41.34 74 A 1 ATOM 648 N NE2 . GLN A 1 74 ? 2.387 1.137 -15.212 1.00 39.93 74 A 1 ATOM 649 N N . SER A 1 75 ? 4.988 6.846 -12.573 1.00 54.09 75 A 1 ATOM 650 C CA . SER A 1 75 ? 4.862 7.842 -11.514 1.00 55.93 75 A 1 ATOM 651 C C . SER A 1 75 ? 3.519 7.672 -10.815 1.00 58.33 75 A 1 ATOM 652 O O . SER A 1 75 ? 2.487 7.493 -11.463 1.00 56.18 75 A 1 ATOM 653 C CB . SER A 1 75 ? 5.012 9.259 -12.063 1.00 52.16 75 A 1 ATOM 654 O OG . SER A 1 75 ? 6.283 9.407 -12.664 1.00 47.99 75 A 1 ATOM 655 N N . TYR A 1 76 ? 3.538 7.738 -9.502 1.00 55.31 76 A 1 ATOM 656 C CA . TYR A 1 76 ? 2.355 7.562 -8.671 1.00 56.98 76 A 1 ATOM 657 C C . TYR A 1 76 ? 2.029 8.865 -7.960 1.00 56.58 76 A 1 ATOM 658 O O . TYR A 1 76 ? 2.899 9.513 -7.372 1.00 54.66 76 A 1 ATOM 659 C CB . TYR A 1 76 ? 2.582 6.415 -7.693 1.00 56.06 76 A 1 ATOM 660 C CG . TYR A 1 76 ? 2.830 5.083 -8.370 1.00 54.25 76 A 1 ATOM 661 C CD1 . TYR A 1 76 ? 1.743 4.295 -8.796 1.00 52.20 76 A 1 ATOM 662 C CD2 . TYR A 1 76 ? 4.151 4.643 -8.596 1.00 52.43 76 A 1 ATOM 663 C CE1 . TYR A 1 76 ? 1.973 3.058 -9.427 1.00 49.83 76 A 1 ATOM 664 C CE2 . TYR A 1 76 ? 4.383 3.409 -9.228 1.00 50.32 76 A 1 ATOM 665 C CZ . TYR A 1 76 ? 3.293 2.611 -9.636 1.00 49.04 76 A 1 ATOM 666 O OH . TYR A 1 76 ? 3.520 1.408 -10.229 1.00 49.97 76 A 1 ATOM 667 N N . GLY A 1 77 ? 0.774 9.254 -8.016 1.00 57.47 77 A 1 ATOM 668 C CA . GLY A 1 77 ? 0.303 10.480 -7.393 1.00 59.29 77 A 1 ATOM 669 C C . GLY A 1 77 ? 0.242 10.403 -5.869 1.00 61.82 77 A 1 ATOM 670 O O . GLY A 1 77 ? 0.199 9.331 -5.259 1.00 58.94 77 A 1 ATOM 671 N N . LYS A 1 78 ? 0.165 11.567 -5.252 1.00 58.88 78 A 1 ATOM 672 C CA . LYS A 1 78 ? -0.164 11.708 -3.826 1.00 59.45 78 A 1 ATOM 673 C C . LYS A 1 78 ? -1.449 10.943 -3.482 1.00 60.30 78 A 1 ATOM 674 O O . LYS A 1 78 ? -2.389 10.914 -4.269 1.00 57.67 78 A 1 ATOM 675 C CB . LYS A 1 78 ? -0.289 13.200 -3.507 1.00 58.42 78 A 1 ATOM 676 C CG . LYS A 1 78 ? -0.539 13.480 -2.020 1.00 55.67 78 A 1 ATOM 677 C CD . LYS A 1 78 ? -0.610 14.989 -1.777 1.00 54.10 78 A 1 ATOM 678 C CE . LYS A 1 78 ? -0.877 15.277 -0.298 1.00 49.58 78 A 1 ATOM 679 N NZ . LYS A 1 78 ? -0.924 16.743 -0.051 1.00 45.52 78 A 1 ATOM 680 N N . ASN A 1 79 ? -1.491 10.389 -2.275 1.00 58.06 79 A 1 ATOM 681 C CA . ASN A 1 79 ? -2.582 9.539 -1.789 1.00 59.45 79 A 1 ATOM 682 C C . ASN A 1 79 ? -2.753 8.230 -2.582 1.00 61.10 79 A 1 ATOM 683 O O . ASN A 1 79 ? -3.840 7.655 -2.601 1.00 59.01 79 A 1 ATOM 684 C CB . ASN A 1 79 ? -3.892 10.331 -1.658 1.00 57.12 79 A 1 ATOM 685 C CG . ASN A 1 79 ? -3.785 11.607 -0.858 1.00 52.17 79 A 1 ATOM 686 O OD1 . ASN A 1 79 ? -3.150 11.698 0.184 1.00 48.85 79 A 1 ATOM 687 N ND2 . ASN A 1 79 ? -4.427 12.656 -1.317 1.00 48.33 79 A 1 ATOM 688 N N . THR A 1 80 ? -1.685 7.747 -3.205 1.00 59.99 80 A 1 ATOM 689 C CA . THR A 1 80 ? -1.641 6.389 -3.744 1.00 61.80 80 A 1 ATOM 690 C C . THR A 1 80 ? -1.374 5.392 -2.625 1.00 62.48 80 A 1 ATOM 691 O O . THR A 1 80 ? -0.509 5.607 -1.775 1.00 61.32 80 A 1 ATOM 692 C CB . THR A 1 80 ? -0.601 6.244 -4.857 1.00 60.43 80 A 1 ATOM 693 O OG1 . THR A 1 80 ? -0.861 7.185 -5.869 1.00 54.90 80 A 1 ATOM 694 C CG2 . THR A 1 80 ? -0.638 4.874 -5.522 1.00 55.32 80 A 1 ATOM 695 N N . PHE A 1 81 ? -2.118 4.295 -2.643 1.00 61.83 81 A 1 ATOM 696 C CA . PHE A 1 81 ? -1.996 3.173 -1.725 1.00 61.80 81 A 1 ATOM 697 C C . PHE A 1 81 ? -1.646 1.925 -2.517 1.00 62.69 81 A 1 ATOM 698 O O . PHE A 1 81 ? -2.337 1.588 -3.474 1.00 61.35 81 A 1 ATOM 699 C CB . PHE A 1 81 ? -3.308 2.958 -0.959 1.00 59.23 81 A 1 ATOM 700 C CG . PHE A 1 81 ? -3.649 4.043 0.036 1.00 55.40 81 A 1 ATOM 701 C CD1 . PHE A 1 81 ? -3.589 3.779 1.416 1.00 51.60 81 A 1 ATOM 702 C CD2 . PHE A 1 81 ? -4.014 5.326 -0.414 1.00 50.24 81 A 1 ATOM 703 C CE1 . PHE A 1 81 ? -3.879 4.795 2.340 1.00 45.44 81 A 1 ATOM 704 C CE2 . PHE A 1 81 ? -4.289 6.344 0.510 1.00 45.78 81 A 1 ATOM 705 C CZ . PHE A 1 81 ? -4.223 6.078 1.891 1.00 43.93 81 A 1 ATOM 706 N N . PHE A 1 82 ? -0.615 1.218 -2.081 1.00 63.86 82 A 1 ATOM 707 C CA . PHE A 1 82 ? -0.283 -0.107 -2.581 1.00 64.31 82 A 1 ATOM 708 C C . PHE A 1 82 ? -0.620 -1.129 -1.508 1.00 63.78 82 A 1 ATOM 709 O O . PHE A 1 82 ? -0.251 -0.938 -0.353 1.00 62.61 82 A 1 ATOM 710 C CB . PHE A 1 82 ? 1.200 -0.176 -2.949 1.00 63.19 82 A 1 ATOM 711 C CG . PHE A 1 82 ? 1.647 0.874 -3.946 1.00 61.98 82 A 1 ATOM 712 C CD1 . PHE A 1 82 ? 1.630 0.583 -5.318 1.00 59.18 82 A 1 ATOM 713 C CD2 . PHE A 1 82 ? 2.070 2.141 -3.501 1.00 58.39 82 A 1 ATOM 714 C CE1 . PHE A 1 82 ? 2.040 1.549 -6.245 1.00 55.19 82 A 1 ATOM 715 C CE2 . PHE A 1 82 ? 2.476 3.108 -4.432 1.00 55.74 82 A 1 ATOM 716 C CZ . PHE A 1 82 ? 2.463 2.811 -5.805 1.00 55.15 82 A 1 ATOM 717 N N . GLU A 1 83 ? -1.283 -2.202 -1.879 1.00 62.42 83 A 1 ATOM 718 C CA . GLU A 1 83 ? -1.484 -3.367 -1.015 1.00 63.09 83 A 1 ATOM 719 C C . GLU A 1 83 ? -0.646 -4.527 -1.537 1.00 63.38 83 A 1 ATOM 720 O O . GLU A 1 83 ? -0.770 -4.934 -2.694 1.00 62.73 83 A 1 ATOM 721 C CB . GLU A 1 83 ? -2.970 -3.737 -0.939 1.00 61.78 83 A 1 ATOM 722 C CG . GLU A 1 83 ? -3.288 -4.847 0.082 1.00 55.74 83 A 1 ATOM 723 C CD . GLU A 1 83 ? -4.781 -5.246 0.100 1.00 54.30 83 A 1 ATOM 724 O OE1 . GLU A 1 83 ? -5.232 -5.852 1.098 1.00 50.88 83 A 1 ATOM 725 O OE2 . GLU A 1 83 ? -5.501 -4.993 -0.886 1.00 50.98 83 A 1 ATOM 726 N N . PHE A 1 84 ? 0.168 -5.078 -0.667 1.00 62.40 84 A 1 ATOM 727 C CA . PHE A 1 84 ? 0.921 -6.300 -0.894 1.00 61.10 84 A 1 ATOM 728 C C . PHE A 1 84 ? 0.490 -7.345 0.122 1.00 59.21 84 A 1 ATOM 729 O O . PHE A 1 84 ? 0.154 -7.012 1.255 1.00 57.02 84 A 1 ATOM 730 C CB . PHE A 1 84 ? 2.422 -6.031 -0.791 1.00 59.50 84 A 1 ATOM 731 C CG . PHE A 1 84 ? 2.932 -4.919 -1.685 1.00 58.05 84 A 1 ATOM 732 C CD1 . PHE A 1 84 ? 3.437 -5.217 -2.963 1.00 55.17 84 A 1 ATOM 733 C CD2 . PHE A 1 84 ? 2.893 -3.585 -1.243 1.00 54.73 84 A 1 ATOM 734 C CE1 . PHE A 1 84 ? 3.904 -4.185 -3.792 1.00 51.54 84 A 1 ATOM 735 C CE2 . PHE A 1 84 ? 3.357 -2.553 -2.077 1.00 52.40 84 A 1 ATOM 736 C CZ . PHE A 1 84 ? 3.863 -2.852 -3.350 1.00 51.63 84 A 1 ATOM 737 N N . LYS A 1 85 ? 0.531 -8.613 -0.261 1.00 58.99 85 A 1 ATOM 738 C CA . LYS A 1 85 ? 0.266 -9.716 0.661 1.00 58.15 85 A 1 ATOM 739 C C . LYS A 1 85 ? 1.479 -10.626 0.746 1.00 56.68 85 A 1 ATOM 740 O O . LYS A 1 85 ? 2.088 -10.957 -0.267 1.00 54.95 85 A 1 ATOM 741 C CB . LYS A 1 85 ? -1.013 -10.439 0.235 1.00 56.43 85 A 1 ATOM 742 C CG . LYS A 1 85 ? -1.443 -11.497 1.256 1.00 52.49 85 A 1 ATOM 743 C CD . LYS A 1 85 ? -2.809 -12.087 0.887 1.00 51.10 85 A 1 ATOM 744 C CE . LYS A 1 85 ? -3.170 -13.198 1.877 1.00 45.74 85 A 1 ATOM 745 N NZ . LYS A 1 85 ? -4.479 -13.816 1.550 1.00 42.25 85 A 1 ATOM 746 N N . LEU A 1 86 ? 1.808 -11.026 1.966 1.00 53.97 86 A 1 ATOM 747 C CA . LEU A 1 86 ? 2.786 -12.063 2.263 1.00 53.01 86 A 1 ATOM 748 C C . LEU A 1 86 ? 2.109 -13.434 2.193 1.00 52.15 86 A 1 ATOM 749 O O . LEU A 1 86 ? 1.087 -13.668 2.833 1.00 49.45 86 A 1 ATOM 750 C CB . LEU A 1 86 ? 3.389 -11.800 3.651 1.00 50.76 86 A 1 ATOM 751 C CG . LEU A 1 86 ? 4.446 -10.679 3.632 1.00 46.48 86 A 1 ATOM 752 C CD1 . LEU A 1 86 ? 4.532 -9.993 4.988 1.00 43.90 86 A 1 ATOM 753 C CD2 . LEU A 1 86 ? 5.825 -11.246 3.294 1.00 44.49 86 A 1 ATOM 754 N N . ASN A 1 87 ? 2.686 -14.339 1.425 1.00 51.39 87 A 1 ATOM 755 C CA . ASN A 1 87 ? 2.289 -15.741 1.461 1.00 51.29 87 A 1 ATOM 756 C C . ASN A 1 87 ? 3.114 -16.530 2.498 1.00 50.19 87 A 1 ATOM 757 O O . ASN A 1 87 ? 4.070 -16.020 3.081 1.00 48.20 87 A 1 ATOM 758 C CB . ASN A 1 87 ? 2.301 -16.314 0.029 1.00 49.14 87 A 1 ATOM 759 C CG . ASN A 1 87 ? 3.675 -16.632 -0.531 1.00 44.62 87 A 1 ATOM 760 O OD1 . ASN A 1 87 ? 4.687 -16.637 0.143 1.00 43.03 87 A 1 ATOM 761 N ND2 . ASN A 1 87 ? 3.740 -16.975 -1.797 1.00 42.98 87 A 1 ATOM 762 N N . LYS A 1 88 ? 2.768 -17.797 2.695 1.00 52.21 88 A 1 ATOM 763 C CA . LYS A 1 88 ? 3.448 -18.694 3.653 1.00 51.48 88 A 1 ATOM 764 C C . LYS A 1 88 ? 4.947 -18.902 3.375 1.00 50.67 88 A 1 ATOM 765 O O . LYS A 1 88 ? 5.671 -19.297 4.272 1.00 48.63 88 A 1 ATOM 766 C CB . LYS A 1 88 ? 2.740 -20.057 3.688 1.00 50.62 88 A 1 ATOM 767 C CG . LYS A 1 88 ? 1.302 -19.980 4.226 1.00 47.62 88 A 1 ATOM 768 C CD . LYS A 1 88 ? 0.698 -21.389 4.354 1.00 46.93 88 A 1 ATOM 769 C CE . LYS A 1 88 ? -0.721 -21.319 4.922 1.00 41.79 88 A 1 ATOM 770 N NZ . LYS A 1 88 ? -1.315 -22.674 5.104 1.00 38.70 88 A 1 ATOM 771 N N . ASN A 1 89 ? 5.399 -18.615 2.153 1.00 51.05 89 A 1 ATOM 772 C CA . ASN A 1 89 ? 6.789 -18.764 1.724 1.00 51.37 89 A 1 ATOM 773 C C . ASN A 1 89 ? 7.563 -17.434 1.783 1.00 50.88 89 A 1 ATOM 774 O O . ASN A 1 89 ? 8.595 -17.298 1.133 1.00 48.35 89 A 1 ATOM 775 C CB . ASN A 1 89 ? 6.814 -19.389 0.314 1.00 49.88 89 A 1 ATOM 776 C CG . ASN A 1 89 ? 6.177 -20.763 0.229 1.00 46.64 89 A 1 ATOM 777 O OD1 . ASN A 1 89 ? 5.918 -21.442 1.205 1.00 44.74 89 A 1 ATOM 778 N ND2 . ASN A 1 89 ? 5.880 -21.225 -0.962 1.00 43.94 89 A 1 ATOM 779 N N . ASN A 1 90 ? 7.048 -16.450 2.517 1.00 45.88 90 A 1 ATOM 780 C CA . ASN A 1 90 ? 7.608 -15.100 2.608 1.00 46.56 90 A 1 ATOM 781 C C . ASN A 1 90 ? 7.723 -14.372 1.254 1.00 47.33 90 A 1 ATOM 782 O O . ASN A 1 90 ? 8.487 -13.422 1.122 1.00 46.19 90 A 1 ATOM 783 C CB . ASN A 1 90 ? 8.930 -15.119 3.394 1.00 44.23 90 A 1 ATOM 784 C CG . ASN A 1 90 ? 8.772 -15.596 4.822 1.00 39.94 90 A 1 ATOM 785 O OD1 . ASN A 1 90 ? 7.739 -15.454 5.449 1.00 37.46 90 A 1 ATOM 786 N ND2 . ASN A 1 90 ? 9.805 -16.171 5.396 1.00 36.43 90 A 1 ATOM 787 N N . LEU A 1 91 ? 6.975 -14.794 0.245 1.00 44.42 91 A 1 ATOM 788 C CA . LEU A 1 91 ? 6.877 -14.049 -1.006 1.00 44.32 91 A 1 ATOM 789 C C . LEU A 1 91 ? 5.823 -12.962 -0.847 1.00 45.43 91 A 1 ATOM 790 O O . LEU A 1 91 ? 4.712 -13.229 -0.384 1.00 44.15 91 A 1 ATOM 791 C CB . LEU A 1 91 ? 6.555 -14.977 -2.184 1.00 41.38 91 A 1 ATOM 792 C CG . LEU A 1 91 ? 7.602 -16.069 -2.442 1.00 37.43 91 A 1 ATOM 793 C CD1 . LEU A 1 91 ? 7.098 -17.021 -3.525 1.00 33.99 91 A 1 ATOM 794 C CD2 . LEU A 1 91 ? 8.935 -15.483 -2.911 1.00 34.98 91 A 1 ATOM 795 N N . ILE A 1 92 ? 6.181 -11.755 -1.241 1.00 48.30 92 A 1 ATOM 796 C CA . ILE A 1 92 ? 5.250 -10.635 -1.296 1.00 49.11 92 A 1 ATOM 797 C C . ILE A 1 92 ? 4.715 -10.566 -2.722 1.00 49.03 92 A 1 ATOM 798 O O . ILE A 1 92 ? 5.481 -10.578 -3.682 1.00 46.99 92 A 1 ATOM 799 C CB . ILE A 1 92 ? 5.905 -9.318 -0.834 1.00 47.43 92 A 1 ATOM 800 C CG1 . ILE A 1 92 ? 6.524 -9.466 0.578 1.00 44.08 92 A 1 ATOM 801 C CG2 . ILE A 1 92 ? 4.862 -8.187 -0.836 1.00 44.38 92 A 1 ATOM 802 C CD1 . ILE A 1 92 ? 7.371 -8.267 1.018 1.00 42.44 92 A 1 ATOM 803 N N . TYR A 1 93 ? 3.412 -10.490 -2.870 1.00 46.47 93 A 1 ATOM 804 C CA . TYR A 1 93 ? 2.798 -10.197 -4.157 1.00 47.36 93 A 1 ATOM 805 C C . TYR A 1 93 ? 1.909 -8.965 -4.046 1.00 48.61 93 A 1 ATOM 806 O O . TYR A 1 93 ? 1.207 -8.764 -3.052 1.00 47.11 93 A 1 ATOM 807 C CB . TYR A 1 93 ? 2.063 -11.421 -4.706 1.00 44.42 93 A 1 ATOM 808 C CG . TYR A 1 93 ? 0.942 -11.949 -3.841 1.00 41.25 93 A 1 ATOM 809 C CD1 . TYR A 1 93 ? 1.220 -12.887 -2.830 1.00 38.15 93 A 1 ATOM 810 C CD2 . TYR A 1 93 ? -0.386 -11.551 -4.086 1.00 37.88 93 A 1 ATOM 811 C CE1 . TYR A 1 93 ? 0.175 -13.445 -2.081 1.00 34.26 93 A 1 ATOM 812 C CE2 . TYR A 1 93 ? -1.436 -12.108 -3.336 1.00 35.95 93 A 1 ATOM 813 C CZ . TYR A 1 93 ? -1.157 -13.063 -2.341 1.00 34.28 93 A 1 ATOM 814 O OH . TYR A 1 93 ? -2.174 -13.627 -1.637 1.00 32.49 93 A 1 ATOM 815 N N . HIS A 1 94 ? 1.964 -8.145 -5.077 1.00 50.09 94 A 1 ATOM 816 C CA . HIS A 1 94 ? 1.108 -6.978 -5.181 1.00 51.50 94 A 1 ATOM 817 C C . HIS A 1 94 ? -0.342 -7.413 -5.424 1.00 52.27 94 A 1 ATOM 818 O O . HIS A 1 94 ? -0.620 -8.168 -6.351 1.00 51.00 94 A 1 ATOM 819 C CB . HIS A 1 94 ? 1.623 -6.078 -6.299 1.00 49.26 94 A 1 ATOM 820 C CG . HIS A 1 94 ? 0.742 -4.888 -6.544 1.00 45.27 94 A 1 ATOM 821 N ND1 . HIS A 1 94 ? -0.119 -4.751 -7.609 1.00 42.12 94 A 1 ATOM 822 C CD2 . HIS A 1 94 ? 0.625 -3.781 -5.761 1.00 41.01 94 A 1 ATOM 823 C CE1 . HIS A 1 94 ? -0.740 -3.578 -7.467 1.00 38.85 94 A 1 ATOM 824 N NE2 . HIS A 1 94 ? -0.319 -2.950 -6.355 1.00 39.24 94 A 1 ATOM 825 N N . LEU A 1 95 ? -1.246 -6.933 -4.594 1.00 53.59 95 A 1 ATOM 826 C CA . LEU A 1 95 ? -2.672 -7.204 -4.751 1.00 53.40 95 A 1 ATOM 827 C C . LEU A 1 95 ? -3.366 -6.085 -5.515 1.00 53.92 95 A 1 ATOM 828 O O . LEU A 1 95 ? -4.222 -6.356 -6.359 1.00 51.36 95 A 1 ATOM 829 C CB . LEU A 1 95 ? -3.324 -7.366 -3.373 1.00 50.52 95 A 1 ATOM 830 C CG . LEU A 1 95 ? -2.952 -8.653 -2.626 1.00 46.22 95 A 1 ATOM 831 C CD1 . LEU A 1 95 ? -3.676 -8.660 -1.280 1.00 43.63 95 A 1 ATOM 832 C CD2 . LEU A 1 95 ? -3.388 -9.905 -3.392 1.00 43.86 95 A 1 ATOM 833 N N . GLN A 1 96 ? -3.058 -4.851 -5.175 1.00 50.25 96 A 1 ATOM 834 C CA . GLN A 1 96 ? -3.898 -3.743 -5.606 1.00 52.25 96 A 1 ATOM 835 C C . GLN A 1 96 ? -3.218 -2.387 -5.436 1.00 52.92 96 A 1 ATOM 836 O O . GLN A 1 96 ? -2.468 -2.167 -4.492 1.00 51.67 96 A 1 ATOM 837 C CB . GLN A 1 96 ? -5.191 -3.824 -4.782 1.00 50.32 96 A 1 ATOM 838 C CG . GLN A 1 96 ? -6.388 -3.173 -5.462 1.00 46.23 96 A 1 ATOM 839 C CD . GLN A 1 96 ? -7.692 -3.579 -4.779 1.00 42.87 96 A 1 ATOM 840 O OE1 . GLN A 1 96 ? -7.810 -3.874 -3.603 1.00 41.56 96 A 1 ATOM 841 N NE2 . GLN A 1 96 ? -8.773 -3.661 -5.496 1.00 40.27 96 A 1 ATOM 842 N N . VAL A 1 97 ? -3.548 -1.466 -6.330 1.00 53.32 97 A 1 ATOM 843 C CA . VAL A 1 97 ? -3.249 -0.040 -6.190 1.00 53.53 97 A 1 ATOM 844 C C . VAL A 1 97 ? -4.561 0.724 -6.069 1.00 53.79 97 A 1 ATOM 845 O O . VAL A 1 97 ? -5.508 0.487 -6.823 1.00 51.78 97 A 1 ATOM 846 C CB . VAL A 1 97 ? -2.404 0.505 -7.357 1.00 51.90 97 A 1 ATOM 847 C CG1 . VAL A 1 97 ? -2.015 1.970 -7.132 1.00 46.98 97 A 1 ATOM 848 C CG2 . VAL A 1 97 ? -1.110 -0.292 -7.548 1.00 48.78 97 A 1 ATOM 849 N N . TRP A 1 98 ? -4.617 1.640 -5.120 1.00 51.93 98 A 1 ATOM 850 C CA . TRP A 1 98 ? -5.725 2.575 -4.986 1.00 52.33 98 A 1 ATOM 851 C C . TRP A 1 98 ? -5.220 4.010 -4.996 1.00 51.58 98 A 1 ATOM 852 O O . TRP A 1 98 ? -4.271 4.336 -4.296 1.00 49.19 98 A 1 ATOM 853 C CB . TRP A 1 98 ? -6.500 2.333 -3.702 1.00 49.67 98 A 1 ATOM 854 C CG . TRP A 1 98 ? -7.042 0.959 -3.521 1.00 47.63 98 A 1 ATOM 855 C CD1 . TRP A 1 98 ? -8.228 0.512 -3.980 1.00 43.49 98 A 1 ATOM 856 C CD2 . TRP A 1 98 ? -6.454 -0.136 -2.770 1.00 44.15 98 A 1 ATOM 857 N NE1 . TRP A 1 98 ? -8.434 -0.779 -3.533 1.00 41.21 98 A 1 ATOM 858 C CE2 . TRP A 1 98 ? -7.385 -1.217 -2.757 1.00 42.41 98 A 1 ATOM 859 C CE3 . TRP A 1 98 ? -5.260 -0.308 -2.054 1.00 41.74 98 A 1 ATOM 860 C CZ2 . TRP A 1 98 ? -7.167 -2.384 -2.012 1.00 41.25 98 A 1 ATOM 861 C CZ3 . TRP A 1 98 ? -5.017 -1.485 -1.328 1.00 39.94 98 A 1 ATOM 862 C CH2 . TRP A 1 98 ? -5.976 -2.506 -1.287 1.00 39.31 98 A 1 ATOM 863 N N . ASN A 1 99 ? -5.930 4.875 -5.689 1.00 49.81 99 A 1 ATOM 864 C CA . ASN A 1 99 ? -5.748 6.311 -5.571 1.00 51.23 99 A 1 ATOM 865 C C . ASN A 1 99 ? -6.918 6.902 -4.787 1.00 49.64 99 A 1 ATOM 866 O O . ASN A 1 99 ? -8.071 6.527 -5.006 1.00 49.07 99 A 1 ATOM 867 C CB . ASN A 1 99 ? -5.589 6.926 -6.969 1.00 50.54 99 A 1 ATOM 868 C CG . ASN A 1 99 ? -4.286 6.500 -7.619 1.00 46.40 99 A 1 ATOM 869 O OD1 . ASN A 1 99 ? -3.261 6.387 -6.979 1.00 44.97 99 A 1 ATOM 870 N ND2 . ASN A 1 99 ? -4.267 6.244 -8.904 1.00 44.38 99 A 1 ATOM 871 N N . ILE A 1 100 ? -6.616 7.826 -3.886 1.00 47.12 100 A 1 ATOM 872 C CA . ILE A 1 100 ? -7.639 8.620 -3.206 1.00 46.57 100 A 1 ATOM 873 C C . ILE A 1 100 ? -7.586 10.032 -3.779 1.00 45.05 100 A 1 ATOM 874 O O . ILE A 1 100 ? -6.604 10.748 -3.598 1.00 42.89 100 A 1 ATOM 875 C CB . ILE A 1 100 ? -7.483 8.578 -1.674 1.00 43.98 100 A 1 ATOM 876 C CG1 . ILE A 1 100 ? -7.611 7.111 -1.187 1.00 40.89 100 A 1 ATOM 877 C CG2 . ILE A 1 100 ? -8.539 9.482 -1.005 1.00 41.72 100 A 1 ATOM 878 C CD1 . ILE A 1 100 ? -7.529 6.945 0.332 1.00 40.20 100 A 1 ATOM 879 N N . ILE A 1 101 ? -8.634 10.420 -4.468 1.00 42.58 101 A 1 ATOM 880 C CA . ILE A 1 101 ? -8.810 11.761 -5.026 1.00 42.85 101 A 1 ATOM 881 C C . ILE A 1 101 ? -10.076 12.329 -4.396 1.00 42.77 101 A 1 ATOM 882 O O . ILE A 1 101 ? -11.120 11.679 -4.430 1.00 40.47 101 A 1 ATOM 883 C CB . ILE A 1 101 ? -8.875 11.722 -6.569 1.00 40.04 101 A 1 ATOM 884 C CG1 . ILE A 1 101 ? -7.610 11.049 -7.167 1.00 37.32 101 A 1 ATOM 885 C CG2 . ILE A 1 101 ? -9.058 13.144 -7.126 1.00 37.87 101 A 1 ATOM 886 C CD1 . ILE A 1 101 ? -7.655 10.839 -8.685 1.00 36.40 101 A 1 ATOM 887 N N . GLU A 1 102 ? -9.960 13.495 -3.773 1.00 40.95 102 A 1 ATOM 888 C CA . GLU A 1 102 ? -11.110 14.167 -3.142 1.00 43.04 102 A 1 ATOM 889 C C . GLU A 1 102 ? -11.920 13.253 -2.203 1.00 43.15 102 A 1 ATOM 890 O O . GLU A 1 102 ? -13.149 13.212 -2.229 1.00 41.63 102 A 1 ATOM 891 C CB . GLU A 1 102 ? -11.996 14.810 -4.218 1.00 42.26 102 A 1 ATOM 892 C CG . GLU A 1 102 ? -11.260 15.874 -5.036 1.00 38.02 102 A 1 ATOM 893 C CD . GLU A 1 102 ? -12.128 16.434 -6.170 1.00 36.26 102 A 1 ATOM 894 O OE1 . GLU A 1 102 ? -11.633 17.378 -6.832 1.00 34.11 102 A 1 ATOM 895 O OE2 . GLU A 1 102 ? -13.243 15.905 -6.392 1.00 37.18 102 A 1 ATOM 896 N N . ASN A 1 103 ? -11.213 12.471 -1.384 1.00 42.80 103 A 1 ATOM 897 C CA . ASN A 1 103 ? -11.795 11.487 -0.459 1.00 44.06 103 A 1 ATOM 898 C C . ASN A 1 103 ? -12.542 10.312 -1.120 1.00 43.55 103 A 1 ATOM 899 O O . ASN A 1 103 ? -13.125 9.491 -0.410 1.00 41.74 103 A 1 ATOM 900 C CB . ASN A 1 103 ? -12.635 12.190 0.622 1.00 41.63 103 A 1 ATOM 901 C CG . ASN A 1 103 ? -11.879 13.279 1.357 1.00 37.56 103 A 1 ATOM 902 O OD1 . ASN A 1 103 ? -10.661 13.252 1.495 1.00 36.23 103 A 1 ATOM 903 N ND2 . ASN A 1 103 ? -12.565 14.272 1.863 1.00 35.89 103 A 1 ATOM 904 N N . LYS A 1 104 ? -12.478 10.171 -2.435 1.00 45.09 104 A 1 ATOM 905 C CA . LYS A 1 104 ? -13.019 9.023 -3.165 1.00 46.45 104 A 1 ATOM 906 C C . LYS A 1 104 ? -11.903 8.032 -3.466 1.00 45.82 104 A 1 ATOM 907 O O . LYS A 1 104 ? -10.825 8.399 -3.928 1.00 43.64 104 A 1 ATOM 908 C CB . LYS A 1 104 ? -13.743 9.484 -4.432 1.00 43.88 104 A 1 ATOM 909 C CG . LYS A 1 104 ? -14.990 10.313 -4.098 1.00 40.82 104 A 1 ATOM 910 C CD . LYS A 1 104 ? -15.678 10.806 -5.375 1.00 39.72 104 A 1 ATOM 911 C CE . LYS A 1 104 ? -16.863 11.701 -5.003 1.00 36.18 104 A 1 ATOM 912 N NZ . LYS A 1 104 ? -17.460 12.351 -6.200 1.00 34.00 104 A 1 ATOM 913 N N . LYS A 1 105 ? -12.174 6.762 -3.191 1.00 47.81 105 A 1 ATOM 914 C CA . LYS A 1 105 ? -11.255 5.653 -3.432 1.00 49.14 105 A 1 ATOM 915 C C . LYS A 1 105 ? -11.480 5.102 -4.838 1.00 48.47 105 A 1 ATOM 916 O O . LYS A 1 105 ? -12.538 4.553 -5.121 1.00 46.27 105 A 1 ATOM 917 C CB . LYS A 1 105 ? -11.452 4.601 -2.331 1.00 47.70 105 A 1 ATOM 918 C CG . LYS A 1 105 ? -10.412 3.472 -2.386 1.00 44.45 105 A 1 ATOM 919 C CD . LYS A 1 105 ? -10.639 2.490 -1.226 1.00 43.21 105 A 1 ATOM 920 C CE . LYS A 1 105 ? -9.587 1.381 -1.234 1.00 40.40 105 A 1 ATOM 921 N NZ . LYS A 1 105 ? -9.761 0.425 -0.110 1.00 37.25 105 A 1 ATOM 922 N N . PHE A 1 106 ? -10.464 5.176 -5.670 1.00 40.75 106 A 1 ATOM 923 C CA . PHE A 1 106 ? -10.474 4.629 -7.024 1.00 41.10 106 A 1 ATOM 924 C C . PHE A 1 106 ? -9.590 3.387 -7.089 1.00 40.73 106 A 1 ATOM 925 O O . PHE A 1 106 ? -8.419 3.430 -6.722 1.00 38.87 106 A 1 ATOM 926 C CB . PHE A 1 106 ? -10.022 5.697 -8.025 1.00 38.67 106 A 1 ATOM 927 C CG . PHE A 1 106 ? -10.955 6.892 -8.068 1.00 36.83 106 A 1 ATOM 928 C CD1 . PHE A 1 106 ? -12.062 6.903 -8.936 1.00 34.67 106 A 1 ATOM 929 C CD2 . PHE A 1 106 ? -10.731 7.984 -7.209 1.00 35.52 106 A 1 ATOM 930 C CE1 . PHE A 1 106 ? -12.937 8.002 -8.951 1.00 33.15 106 A 1 ATOM 931 C CE2 . PHE A 1 106 ? -11.610 9.078 -7.218 1.00 33.61 106 A 1 ATOM 932 C CZ . PHE A 1 106 ? -12.709 9.089 -8.090 1.00 33.18 106 A 1 ATOM 933 N N . LYS A 1 107 ? -10.149 2.283 -7.551 1.00 42.53 107 A 1 ATOM 934 C CA . LYS A 1 107 ? -9.423 1.034 -7.785 1.00 44.08 107 A 1 ATOM 935 C C . LYS A 1 107 ? -8.791 1.093 -9.174 1.00 43.62 107 A 1 ATOM 936 O O . LYS A 1 107 ? -9.517 1.157 -10.162 1.00 42.03 107 A 1 ATOM 937 C CB . LYS A 1 107 ? -10.408 -0.139 -7.627 1.00 42.62 107 A 1 ATOM 938 C CG . LYS A 1 107 ? -9.748 -1.501 -7.839 1.00 39.77 107 A 1 ATOM 939 C CD . LYS A 1 107 ? -10.752 -2.643 -7.584 1.00 39.10 107 A 1 ATOM 940 C CE . LYS A 1 107 ? -10.058 -3.992 -7.830 1.00 36.13 107 A 1 ATOM 941 N NZ . LYS A 1 107 ? -10.758 -5.128 -7.177 1.00 33.74 107 A 1 ATOM 942 N N . SER A 1 108 ? -7.461 1.040 -9.260 1.00 41.13 108 A 1 ATOM 943 C CA . SER A 1 108 ? -6.810 0.826 -10.553 1.00 41.36 108 A 1 ATOM 944 C C . SER A 1 108 ? -6.792 -0.666 -10.905 1.00 41.80 108 A 1 ATOM 945 O O . SER A 1 108 ? -6.888 -1.535 -10.030 1.00 39.94 108 A 1 ATOM 946 C CB . SER A 1 108 ? -5.423 1.480 -10.610 1.00 38.55 108 A 1 ATOM 947 O OG . SER A 1 108 ? -4.491 0.763 -9.844 1.00 35.55 108 A 1 ATOM 948 N N . LYS A 1 109 ? -6.710 -0.988 -12.200 1.00 40.78 109 A 1 ATOM 949 C CA . LYS A 1 109 ? -6.513 -2.377 -12.633 1.00 42.05 109 A 1 ATOM 950 C C . LYS A 1 109 ? -5.188 -2.898 -12.074 1.00 41.85 109 A 1 ATOM 951 O O . LYS A 1 109 ? -4.181 -2.204 -12.127 1.00 40.68 109 A 1 ATOM 952 C CB . LYS A 1 109 ? -6.569 -2.512 -14.165 1.00 41.58 109 A 1 ATOM 953 C CG . LYS A 1 109 ? -8.011 -2.495 -14.708 1.00 39.08 109 A 1 ATOM 954 C CD . LYS A 1 109 ? -8.032 -2.716 -16.230 1.00 38.33 109 A 1 ATOM 955 C CE . LYS A 1 109 ? -9.462 -2.776 -16.772 1.00 35.39 109 A 1 ATOM 956 N NZ . LYS A 1 109 ? -9.500 -2.946 -18.251 1.00 32.69 109 A 1 ATOM 957 N N . SER A 1 110 ? -5.217 -4.107 -11.532 1.00 35.03 110 A 1 ATOM 958 C CA . SER A 1 110 ? -4.060 -4.782 -10.950 1.00 35.19 110 A 1 ATOM 959 C C . SER A 1 110 ? -2.937 -4.906 -11.978 1.00 35.79 110 A 1 ATOM 960 O O . SER A 1 110 ? -3.141 -5.462 -13.052 1.00 34.72 110 A 1 ATOM 961 C CB . SER A 1 110 ? -4.481 -6.171 -10.458 1.00 32.74 110 A 1 ATOM 962 O OG . SER A 1 110 ? -3.404 -6.874 -9.892 1.00 29.91 110 A 1 ATOM 963 N N . ILE A 1 111 ? -1.757 -4.409 -11.635 1.00 35.02 111 A 1 ATOM 964 C CA . ILE A 1 111 ? -0.508 -4.721 -12.335 1.00 35.31 111 A 1 ATOM 965 C C . ILE A 1 111 ? 0.137 -5.849 -11.534 1.00 35.37 111 A 1 ATOM 966 O O . ILE A 1 111 ? 0.348 -5.707 -10.332 1.00 35.01 111 A 1 ATOM 967 C CB . ILE A 1 111 ? 0.395 -3.476 -12.464 1.00 34.38 111 A 1 ATOM 968 C CG1 . ILE A 1 111 ? -0.332 -2.361 -13.259 1.00 32.73 111 A 1 ATOM 969 C CG2 . ILE A 1 111 ? 1.729 -3.849 -13.143 1.00 33.01 111 A 1 ATOM 970 C CD1 . ILE A 1 111 ? 0.410 -1.021 -13.287 1.00 31.85 111 A 1 ATOM 971 N N . SER A 1 112 ? 0.394 -6.978 -12.177 1.00 35.62 112 A 1 ATOM 972 C CA . SER A 1 112 ? 1.022 -8.126 -11.523 1.00 36.48 112 A 1 ATOM 973 C C . SER A 1 112 ? 2.454 -7.777 -11.120 1.00 36.97 112 A 1 ATOM 974 O O . SER A 1 112 ? 3.309 -7.565 -11.977 1.00 36.72 112 A 1 ATOM 975 C CB . SER A 1 112 ? 1.022 -9.339 -12.456 1.00 35.59 112 A 1 ATOM 976 O OG . SER A 1 112 ? -0.282 -9.593 -12.946 1.00 32.89 112 A 1 ATOM 977 N N . LEU A 1 113 ? 2.720 -7.724 -9.831 1.00 35.92 113 A 1 ATOM 978 C CA . LEU A 1 113 ? 4.049 -7.487 -9.277 1.00 36.66 113 A 1 ATOM 979 C C . LEU A 1 113 ? 4.468 -8.708 -8.462 1.00 36.70 113 A 1 ATOM 980 O O . LEU A 1 113 ? 3.830 -9.052 -7.469 1.00 36.14 113 A 1 ATOM 981 C CB . LEU A 1 113 ? 4.030 -6.200 -8.438 1.00 35.26 113 A 1 ATOM 982 C CG . LEU A 1 113 ? 3.943 -4.916 -9.284 1.00 32.18 113 A 1 ATOM 983 C CD1 . LEU A 1 113 ? 3.557 -3.720 -8.419 1.00 29.82 113 A 1 ATOM 984 C CD2 . LEU A 1 113 ? 5.278 -4.612 -9.948 1.00 30.19 113 A 1 ATOM 985 N N . LEU A 1 114 ? 5.522 -9.370 -8.902 1.00 31.30 114 A 1 ATOM 986 C CA . LEU A 1 114 ? 6.162 -10.462 -8.174 1.00 31.32 114 A 1 ATOM 987 C C . LEU A 1 114 ? 7.320 -9.885 -7.354 1.00 31.30 114 A 1 ATOM 988 O O . LEU A 1 114 ? 8.257 -9.321 -7.922 1.00 30.77 114 A 1 ATOM 989 C CB . LEU A 1 114 ? 6.649 -11.528 -9.177 1.00 30.66 114 A 1 ATOM 990 C CG . LEU A 1 114 ? 7.035 -12.856 -8.498 1.00 28.42 114 A 1 ATOM 991 C CD1 . LEU A 1 114 ? 5.814 -13.759 -8.337 1.00 26.31 114 A 1 ATOM 992 C CD2 . LEU A 1 114 ? 8.082 -13.605 -9.319 1.00 26.97 114 A 1 ATOM 993 N N . VAL A 1 115 ? 7.270 -10.031 -6.053 1.00 35.43 115 A 1 ATOM 994 C CA . VAL A 1 115 ? 8.335 -9.578 -5.154 1.00 35.56 115 A 1 ATOM 995 C C . VAL A 1 115 ? 8.851 -10.760 -4.347 1.00 35.18 115 A 1 ATOM 996 O O . VAL A 1 115 ? 8.099 -11.445 -3.658 1.00 34.61 115 A 1 ATOM 997 C CB . VAL A 1 115 ? 7.862 -8.450 -4.237 1.00 34.65 115 A 1 ATOM 998 C CG1 . VAL A 1 115 ? 9.011 -7.969 -3.340 1.00 32.09 115 A 1 ATOM 999 C CG2 . VAL A 1 115 ? 7.307 -7.273 -5.047 1.00 32.17 115 A 1 ATOM 1000 N N . LYS A 1 116 ? 10.150 -10.994 -4.441 1.00 35.88 116 A 1 ATOM 1001 C CA . LYS A 1 116 ? 10.831 -11.986 -3.614 1.00 37.30 116 A 1 ATOM 1002 C C . LYS A 1 116 ? 11.315 -11.296 -2.341 1.00 36.88 116 A 1 ATOM 1003 O O . LYS A 1 116 ? 12.274 -10.536 -2.385 1.00 36.92 116 A 1 ATOM 1004 C CB . LYS A 1 116 ? 11.956 -12.638 -4.434 1.00 37.70 116 A 1 ATOM 1005 C CG . LYS A 1 116 ? 12.508 -13.899 -3.751 1.00 35.19 116 A 1 ATOM 1006 C CD . LYS A 1 116 ? 13.551 -14.579 -4.652 1.00 34.33 116 A 1 ATOM 1007 C CE . LYS A 1 116 ? 14.048 -15.880 -4.016 1.00 32.26 116 A 1 ATOM 1008 N NZ . LYS A 1 116 ? 15.059 -16.565 -4.869 1.00 29.99 116 A 1 ATOM 1009 N N . ALA A 1 117 ? 10.659 -11.563 -1.225 1.00 34.72 117 A 1 ATOM 1010 C CA . ALA A 1 117 ? 11.206 -11.187 0.070 1.00 34.49 117 A 1 ATOM 1011 C C . ALA A 1 117 ? 12.436 -12.066 0.334 1.00 34.12 117 A 1 ATOM 1012 O O . ALA A 1 117 ? 12.322 -13.276 0.499 1.00 33.14 117 A 1 ATOM 1013 C CB . ALA A 1 117 ? 10.131 -11.329 1.150 1.00 33.02 117 A 1 ATOM 1014 N N . LEU A 1 118 ? 13.627 -11.474 0.329 1.00 27.92 118 A 1 ATOM 1015 C CA . LEU A 1 118 ? 14.808 -12.156 0.844 1.00 27.80 118 A 1 ATOM 1016 C C . LEU A 1 118 ? 14.665 -12.201 2.366 1.00 27.17 118 A 1 ATOM 1017 O O . LEU A 1 118 ? 14.783 -11.176 3.028 1.00 26.27 118 A 1 ATOM 1018 C CB . LEU A 1 118 ? 16.089 -11.437 0.387 1.00 26.87 118 A 1 ATOM 1019 C CG . LEU A 1 118 ? 16.410 -11.606 -1.113 1.00 25.65 118 A 1 ATOM 1020 C CD1 . LEU A 1 118 ? 17.542 -10.656 -1.510 1.00 24.04 118 A 1 ATOM 1021 C CD2 . LEU A 1 118 ? 16.847 -13.032 -1.451 1.00 24.74 118 A 1 ATOM 1022 N N . SER A 1 119 ? 14.378 -13.365 2.910 1.00 28.35 119 A 1 ATOM 1023 C CA . SER A 1 119 ? 14.441 -13.558 4.356 1.00 28.91 119 A 1 ATOM 1024 C C . SER A 1 119 ? 15.895 -13.393 4.799 1.00 28.64 119 A 1 ATOM 1025 O O . SER A 1 119 ? 16.687 -14.329 4.698 1.00 27.76 119 A 1 ATOM 1026 C CB . SER A 1 119 ? 13.886 -14.931 4.744 1.00 27.85 119 A 1 ATOM 1027 O OG . SER A 1 119 ? 14.576 -15.965 4.065 1.00 26.00 119 A 1 ATOM 1028 N N . SER A 1 120 ? 16.274 -12.226 5.279 1.00 29.85 120 A 1 ATOM 1029 C CA . SER A 1 120 ? 17.431 -12.155 6.161 1.00 31.10 120 A 1 ATOM 1030 C C . SER A 1 120 ? 17.022 -12.862 7.447 1.00 30.44 120 A 1 ATOM 1031 O O . SER A 1 120 ? 16.252 -12.329 8.244 1.00 29.30 120 A 1 ATOM 1032 C CB . SER A 1 120 ? 17.891 -10.710 6.396 1.00 30.16 120 A 1 ATOM 1033 O OG . SER A 1 120 ? 16.836 -9.913 6.886 1.00 28.46 120 A 1 ATOM 1034 N N . LYS A 1 121 ? 17.490 -14.091 7.635 1.00 25.05 121 A 1 ATOM 1035 C CA . LYS A 1 121 ? 17.603 -14.639 8.984 1.00 26.67 121 A 1 ATOM 1036 C C . LYS A 1 121 ? 18.447 -13.630 9.756 1.00 26.20 121 A 1 ATOM 1037 O O . LYS A 1 121 ? 19.640 -13.513 9.488 1.00 25.12 121 A 1 ATOM 1038 C CB . LYS A 1 121 ? 18.283 -16.021 8.977 1.00 25.48 121 A 1 ATOM 1039 C CG . LYS A 1 121 ? 17.332 -17.177 8.636 1.00 23.52 121 A 1 ATOM 1040 C CD . LYS A 1 121 ? 18.086 -18.512 8.746 1.00 22.93 121 A 1 ATOM 1041 C CE . LYS A 1 121 ? 17.149 -19.704 8.540 1.00 21.02 121 A 1 ATOM 1042 N NZ . LYS A 1 121 ? 17.870 -20.997 8.682 1.00 20.21 121 A 1 ATOM 1043 N N . ALA A 1 122 ? 17.826 -12.871 10.636 1.00 21.16 122 A 1 ATOM 1044 C CA . ALA A 1 122 ? 18.563 -12.230 11.708 1.00 22.04 122 A 1 ATOM 1045 C C . ALA A 1 122 ? 19.120 -13.377 12.553 1.00 22.24 122 A 1 ATOM 1046 O O . ALA A 1 122 ? 18.400 -13.983 13.344 1.00 21.33 122 A 1 ATOM 1047 C CB . ALA A 1 122 ? 17.636 -11.281 12.469 1.00 20.52 122 A 1 ATOM 1048 N N . GLY A 1 123 ? 20.360 -13.749 12.271 1.00 23.66 123 A 1 ATOM 1049 C CA . GLY A 1 123 ? 21.146 -14.564 13.174 1.00 24.97 123 A 1 ATOM 1050 C C . GLY A 1 123 ? 21.450 -13.717 14.398 1.00 25.45 123 A 1 ATOM 1051 O O . GLY A 1 123 ? 22.107 -12.686 14.271 1.00 24.00 123 A 1 ATOM 1052 N N . VAL A 1 124 ? 20.922 -14.141 15.512 1.00 17.31 124 A 1 ATOM 1053 C CA . VAL A 1 124 ? 21.640 -14.052 16.781 1.00 19.71 124 A 1 ATOM 1054 C C . VAL A 1 124 ? 22.431 -15.344 16.882 1.00 19.21 124 A 1 ATOM 1055 O O . VAL A 1 124 ? 21.850 -16.402 16.566 1.00 17.26 124 A 1 ATOM 1056 C CB . VAL A 1 124 ? 20.693 -13.858 17.975 1.00 18.33 124 A 1 ATOM 1057 C CG1 . VAL A 1 124 ? 21.484 -13.685 19.273 1.00 16.26 124 A 1 ATOM 1058 C CG2 . VAL A 1 124 ? 19.818 -12.611 17.783 1.00 17.65 124 A 1 ATOM 1059 O OXT . VAL A 1 124 ? 23.618 -15.243 17.296 1.00 16.25 124 A 1 #