# 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_acrie7 # _entry.id acrie7 # 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 ILE 2 1 n GLY 3 1 n SER 4 1 n GLU 5 1 n LYS 6 1 n GLN 7 1 n VAL 8 1 n ASN 9 1 n TRP 10 1 n ALA 11 1 n LYS 12 1 n SER 13 1 n ILE 14 1 n ILE 15 1 n GLU 16 1 n LYS 17 1 n GLU 18 1 n VAL 19 1 n GLU 20 1 n ALA 21 1 n TRP 22 1 n GLU 23 1 n ALA 24 1 n ILE 25 1 n GLY 26 1 n VAL 27 1 n ASP 28 1 n VAL 29 1 n ARG 30 1 n GLU 31 1 n VAL 32 1 n ALA 33 1 n ALA 34 1 n PHE 35 1 n LEU 36 1 n ARG 37 1 n SER 38 1 n ILE 39 1 n SER 40 1 n ASP 41 1 n ALA 42 1 n ARG 43 1 n VAL 44 1 n ILE 45 1 n ILE 46 1 n ASP 47 1 n ASN 48 1 n ARG 49 1 n ASN 50 1 n LEU 51 1 n ILE 52 1 n HIS 53 1 n PHE 54 1 n GLN 55 1 n SER 56 1 n SER 57 1 n GLY 58 1 n ILE 59 1 n SER 60 1 n TYR 61 1 n SER 62 1 n LEU 63 1 n GLU 64 1 n SER 65 1 n SER 66 1 n PRO 67 1 n LEU 68 1 n ASN 69 1 n SER 70 1 n PRO 71 1 n ILE 72 1 n PHE 73 1 n LEU 74 1 n ARG 75 1 n ARG 76 1 n PHE 77 1 n SER 78 1 n ALA 79 1 n CYS 80 1 n SER 81 1 n VAL 82 1 n GLY 83 1 n PHE 84 1 n GLU 85 1 n GLU 86 1 n ILE 87 1 n PRO 88 1 n THR 89 1 n ALA 90 1 n LEU 91 1 n GLN 92 1 n ARG 93 1 n ILE 94 1 n ARG 95 1 n SER 96 1 n VAL 97 1 n TYR 98 1 n THR 99 1 n ALA 100 1 n LYS 101 1 n LEU 102 1 n LEU 103 1 n GLU 104 1 n ASP 105 1 n GLU 106 # _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 19:40:18)" _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 45.70 _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 38.45 1 1 A ILE 2 2 40.33 1 2 A GLY 3 2 49.09 1 3 A SER 4 2 53.55 1 4 A GLU 5 2 54.54 1 5 A LYS 6 2 57.57 1 6 A GLN 7 2 47.44 1 7 A VAL 8 2 51.97 1 8 A ASN 9 2 57.14 1 9 A TRP 10 2 49.06 1 10 A ALA 11 2 54.26 1 11 A LYS 12 2 52.67 1 12 A SER 13 2 59.38 1 13 A ILE 14 2 54.08 1 14 A ILE 15 2 55.57 1 15 A GLU 16 2 57.72 1 16 A LYS 17 2 59.66 1 17 A GLU 18 2 56.87 1 18 A VAL 19 2 59.92 1 19 A GLU 20 2 60.17 1 20 A ALA 21 2 62.03 1 21 A TRP 22 2 52.87 1 22 A GLU 23 2 55.97 1 23 A ALA 24 2 57.80 1 24 A ILE 25 2 50.50 1 25 A GLY 26 2 55.56 1 26 A VAL 27 2 54.64 1 27 A ASP 28 2 59.64 1 28 A VAL 29 2 60.88 1 29 A ARG 30 2 59.61 1 30 A GLU 31 2 59.62 1 31 A VAL 32 2 59.76 1 32 A ALA 33 2 65.75 1 33 A ALA 34 2 66.09 1 34 A PHE 35 2 53.90 1 35 A LEU 36 2 54.42 1 36 A ARG 37 2 57.19 1 37 A SER 38 2 54.87 1 38 A ILE 39 2 49.24 1 39 A SER 40 2 49.56 1 40 A ASP 41 2 47.42 1 41 A ALA 42 2 51.82 1 42 A ARG 43 2 48.87 1 43 A VAL 44 2 57.10 1 44 A ILE 45 2 58.45 1 45 A ILE 46 2 57.95 1 46 A ASP 47 2 55.20 1 47 A ASN 48 2 53.56 1 48 A ARG 49 2 48.58 1 49 A ASN 50 2 52.76 1 50 A LEU 51 2 51.71 1 51 A ILE 52 2 54.46 1 52 A HIS 53 2 51.45 1 53 A PHE 54 2 46.60 1 54 A GLN 55 2 46.00 1 55 A SER 56 2 43.70 1 56 A SER 57 2 41.87 1 57 A GLY 58 2 43.05 1 58 A ILE 59 2 37.46 1 59 A SER 60 2 42.88 1 60 A TYR 61 2 37.83 1 61 A SER 62 2 45.94 1 62 A LEU 63 2 43.36 1 63 A GLU 64 2 41.79 1 64 A SER 65 2 41.66 1 65 A SER 66 2 37.74 1 66 A PRO 67 2 34.74 1 67 A LEU 68 2 28.07 1 68 A ASN 69 2 27.57 1 69 A SER 70 2 31.80 1 70 A PRO 71 2 28.66 1 71 A ILE 72 2 25.73 1 72 A PHE 73 2 24.11 1 73 A LEU 74 2 22.95 1 74 A ARG 75 2 21.99 1 75 A ARG 76 2 23.20 1 76 A PHE 77 2 22.36 1 77 A SER 78 2 24.56 1 78 A ALA 79 2 23.72 1 79 A CYS 80 2 24.81 1 80 A SER 81 2 25.54 1 81 A VAL 82 2 27.11 1 82 A GLY 83 2 31.31 1 83 A PHE 84 2 27.75 1 84 A GLU 85 2 30.55 1 85 A GLU 86 2 33.31 1 86 A ILE 87 2 36.70 1 87 A PRO 88 2 40.50 1 88 A THR 89 2 43.77 1 89 A ALA 90 2 43.60 1 90 A LEU 91 2 43.28 1 91 A GLN 92 2 42.74 1 92 A ARG 93 2 39.77 1 93 A ILE 94 2 41.49 1 94 A ARG 95 2 39.68 1 95 A SER 96 2 46.37 1 96 A VAL 97 2 42.69 1 97 A TYR 98 2 36.85 1 98 A THR 99 2 44.79 1 99 A ALA 100 2 51.88 1 100 A LYS 101 2 40.63 1 101 A LEU 102 2 43.06 1 102 A LEU 103 2 50.54 1 103 A GLU 104 2 52.94 1 104 A ASP 105 2 50.26 1 105 A GLU 106 2 51.90 1 106 # _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 ILE . 2 A 2 A 3 1 n GLY . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n GLU . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n GLN . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n ASN . 9 A 9 A 10 1 n TRP . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n LYS . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n GLU . 16 A 16 A 17 1 n LYS . 17 A 17 A 18 1 n GLU . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n GLU . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n TRP . 22 A 22 A 23 1 n GLU . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n ILE . 25 A 25 A 26 1 n GLY . 26 A 26 A 27 1 n VAL . 27 A 27 A 28 1 n ASP . 28 A 28 A 29 1 n VAL . 29 A 29 A 30 1 n ARG . 30 A 30 A 31 1 n GLU . 31 A 31 A 32 1 n VAL . 32 A 32 A 33 1 n ALA . 33 A 33 A 34 1 n ALA . 34 A 34 A 35 1 n PHE . 35 A 35 A 36 1 n LEU . 36 A 36 A 37 1 n ARG . 37 A 37 A 38 1 n SER . 38 A 38 A 39 1 n ILE . 39 A 39 A 40 1 n SER . 40 A 40 A 41 1 n ASP . 41 A 41 A 42 1 n ALA . 42 A 42 A 43 1 n ARG . 43 A 43 A 44 1 n VAL . 44 A 44 A 45 1 n ILE . 45 A 45 A 46 1 n ILE . 46 A 46 A 47 1 n ASP . 47 A 47 A 48 1 n ASN . 48 A 48 A 49 1 n ARG . 49 A 49 A 50 1 n ASN . 50 A 50 A 51 1 n LEU . 51 A 51 A 52 1 n ILE . 52 A 52 A 53 1 n HIS . 53 A 53 A 54 1 n PHE . 54 A 54 A 55 1 n GLN . 55 A 55 A 56 1 n SER . 56 A 56 A 57 1 n SER . 57 A 57 A 58 1 n GLY . 58 A 58 A 59 1 n ILE . 59 A 59 A 60 1 n SER . 60 A 60 A 61 1 n TYR . 61 A 61 A 62 1 n SER . 62 A 62 A 63 1 n LEU . 63 A 63 A 64 1 n GLU . 64 A 64 A 65 1 n SER . 65 A 65 A 66 1 n SER . 66 A 66 A 67 1 n PRO . 67 A 67 A 68 1 n LEU . 68 A 68 A 69 1 n ASN . 69 A 69 A 70 1 n SER . 70 A 70 A 71 1 n PRO . 71 A 71 A 72 1 n ILE . 72 A 72 A 73 1 n PHE . 73 A 73 A 74 1 n LEU . 74 A 74 A 75 1 n ARG . 75 A 75 A 76 1 n ARG . 76 A 76 A 77 1 n PHE . 77 A 77 A 78 1 n SER . 78 A 78 A 79 1 n ALA . 79 A 79 A 80 1 n CYS . 80 A 80 A 81 1 n SER . 81 A 81 A 82 1 n VAL . 82 A 82 A 83 1 n GLY . 83 A 83 A 84 1 n PHE . 84 A 84 A 85 1 n GLU . 85 A 85 A 86 1 n GLU . 86 A 86 A 87 1 n ILE . 87 A 87 A 88 1 n PRO . 88 A 88 A 89 1 n THR . 89 A 89 A 90 1 n ALA . 90 A 90 A 91 1 n LEU . 91 A 91 A 92 1 n GLN . 92 A 92 A 93 1 n ARG . 93 A 93 A 94 1 n ILE . 94 A 94 A 95 1 n ARG . 95 A 95 A 96 1 n SER . 96 A 96 A 97 1 n VAL . 97 A 97 A 98 1 n TYR . 98 A 98 A 99 1 n THR . 99 A 99 A 100 1 n ALA . 100 A 100 A 101 1 n LYS . 101 A 101 A 102 1 n LEU . 102 A 102 A 103 1 n LEU . 103 A 103 A 104 1 n GLU . 104 A 104 A 105 1 n ASP . 105 A 105 A 106 1 n GLU . 106 A 106 # _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 ? -14.682 15.209 4.793 1.00 38.32 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.193 15.189 6.194 1.00 42.24 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.756 14.701 6.176 1.00 44.06 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.513 13.629 5.638 1.00 42.45 1 A 1 ATOM 5 C CB . MET A 1 1 ? -15.062 14.278 7.071 1.00 41.11 1 A 1 ATOM 6 C CG . MET A 1 1 ? -16.060 15.081 7.901 1.00 36.07 1 A 1 ATOM 7 S SD . MET A 1 1 ? -17.415 14.126 8.624 1.00 32.81 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.551 12.858 9.590 1.00 30.55 1 A 1 ATOM 9 N N . ILE A 1 2 ? -11.802 15.499 6.670 1.00 41.32 2 A 1 ATOM 10 C CA . ILE A 1 2 ? -10.391 15.086 6.762 1.00 43.08 2 A 1 ATOM 11 C C . ILE A 1 2 ? -10.302 14.125 7.949 1.00 43.79 2 A 1 ATOM 12 O O . ILE A 1 2 ? -10.735 14.471 9.049 1.00 41.50 2 A 1 ATOM 13 C CB . ILE A 1 2 ? -9.468 16.316 6.908 1.00 41.38 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? -9.614 17.245 5.679 1.00 37.99 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? -8.004 15.883 7.083 1.00 37.91 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? -8.901 18.602 5.820 1.00 35.66 2 A 1 ATOM 17 N N . GLY A 1 3 ? -9.817 12.909 7.713 1.00 46.41 3 A 1 ATOM 18 C CA . GLY A 1 3 ? -9.634 11.915 8.769 1.00 48.76 3 A 1 ATOM 19 C C . GLY A 1 3 ? -8.722 12.447 9.874 1.00 51.42 3 A 1 ATOM 20 O O . GLY A 1 3 ? -7.803 13.222 9.614 1.00 49.78 3 A 1 ATOM 21 N N . SER A 1 4 ? -8.962 12.036 11.108 1.00 51.12 4 A 1 ATOM 22 C CA . SER A 1 4 ? -8.096 12.381 12.240 1.00 55.41 4 A 1 ATOM 23 C C . SER A 1 4 ? -6.657 11.907 11.989 1.00 57.40 4 A 1 ATOM 24 O O . SER A 1 4 ? -6.429 10.927 11.272 1.00 56.13 4 A 1 ATOM 25 C CB . SER A 1 4 ? -8.652 11.774 13.536 1.00 53.81 4 A 1 ATOM 26 O OG . SER A 1 4 ? -8.657 10.361 13.469 1.00 47.42 4 A 1 ATOM 27 N N . GLU A 1 5 ? -5.670 12.540 12.630 1.00 55.05 5 A 1 ATOM 28 C CA . GLU A 1 5 ? -4.251 12.134 12.545 1.00 58.97 5 A 1 ATOM 29 C C . GLU A 1 5 ? -4.047 10.626 12.807 1.00 59.80 5 A 1 ATOM 30 O O . GLU A 1 5 ? -3.234 9.965 12.155 1.00 59.02 5 A 1 ATOM 31 C CB . GLU A 1 5 ? -3.488 12.987 13.565 1.00 58.63 5 A 1 ATOM 32 C CG . GLU A 1 5 ? -1.966 12.841 13.474 1.00 52.36 5 A 1 ATOM 33 C CD . GLU A 1 5 ? -1.232 13.698 14.523 1.00 50.56 5 A 1 ATOM 34 O OE1 . GLU A 1 5 ? 0.016 13.615 14.546 1.00 47.43 5 A 1 ATOM 35 O OE2 . GLU A 1 5 ? -1.921 14.387 15.313 1.00 49.06 5 A 1 ATOM 36 N N . LYS A 1 6 ? -4.871 10.043 13.693 1.00 60.56 6 A 1 ATOM 37 C CA . LYS A 1 6 ? -4.900 8.591 13.940 1.00 61.75 6 A 1 ATOM 38 C C . LYS A 1 6 ? -5.343 7.790 12.715 1.00 60.14 6 A 1 ATOM 39 O O . LYS A 1 6 ? -4.766 6.739 12.455 1.00 58.32 6 A 1 ATOM 40 C CB . LYS A 1 6 ? -5.814 8.266 15.129 1.00 61.65 6 A 1 ATOM 41 C CG . LYS A 1 6 ? -5.189 8.670 16.471 1.00 57.91 6 A 1 ATOM 42 C CD . LYS A 1 6 ? -6.083 8.222 17.636 1.00 57.25 6 A 1 ATOM 43 C CE . LYS A 1 6 ? -5.422 8.561 18.971 1.00 52.66 6 A 1 ATOM 44 N NZ . LYS A 1 6 ? -6.252 8.128 20.128 1.00 47.86 6 A 1 ATOM 45 N N . GLN A 1 7 ? -6.342 8.267 11.970 1.00 52.03 7 A 1 ATOM 46 C CA . GLN A 1 7 ? -6.803 7.608 10.742 1.00 52.34 7 A 1 ATOM 47 C C . GLN A 1 7 ? -5.757 7.709 9.632 1.00 52.81 7 A 1 ATOM 48 O O . GLN A 1 7 ? -5.524 6.724 8.935 1.00 51.71 7 A 1 ATOM 49 C CB . GLN A 1 7 ? -8.134 8.225 10.282 1.00 50.41 7 A 1 ATOM 50 C CG . GLN A 1 7 ? -9.321 7.763 11.143 1.00 45.37 7 A 1 ATOM 51 C CD . GLN A 1 7 ? -10.552 8.634 10.933 1.00 42.30 7 A 1 ATOM 52 O OE1 . GLN A 1 7 ? -10.477 9.849 10.987 1.00 40.62 7 A 1 ATOM 53 N NE2 . GLN A 1 7 ? -11.714 8.064 10.728 1.00 39.36 7 A 1 ATOM 54 N N . VAL A 1 8 ? -5.070 8.854 9.519 1.00 54.37 8 A 1 ATOM 55 C CA . VAL A 1 8 ? -3.979 9.047 8.552 1.00 54.71 8 A 1 ATOM 56 C C . VAL A 1 8 ? -2.798 8.121 8.867 1.00 55.96 8 A 1 ATOM 57 O O . VAL A 1 8 ? -2.310 7.425 7.978 1.00 53.89 8 A 1 ATOM 58 C CB . VAL A 1 8 ? -3.538 10.524 8.518 1.00 52.43 8 A 1 ATOM 59 C CG1 . VAL A 1 8 ? -2.354 10.747 7.569 1.00 46.77 8 A 1 ATOM 60 C CG2 . VAL A 1 8 ? -4.686 11.429 8.052 1.00 45.66 8 A 1 ATOM 61 N N . ASN A 1 9 ? -2.380 8.046 10.131 1.00 58.80 9 A 1 ATOM 62 C CA . ASN A 1 9 ? -1.294 7.155 10.557 1.00 60.28 9 A 1 ATOM 63 C C . ASN A 1 9 ? -1.657 5.668 10.419 1.00 59.75 9 A 1 ATOM 64 O O . ASN A 1 9 ? -0.814 4.852 10.045 1.00 58.64 9 A 1 ATOM 65 C CB . ASN A 1 9 ? -0.911 7.505 12.004 1.00 59.34 9 A 1 ATOM 66 C CG . ASN A 1 9 ? -0.107 8.791 12.101 1.00 54.88 9 A 1 ATOM 67 O OD1 . ASN A 1 9 ? 0.606 9.176 11.191 1.00 53.49 9 A 1 ATOM 68 N ND2 . ASN A 1 9 ? -0.163 9.475 13.217 1.00 51.94 9 A 1 ATOM 69 N N . TRP A 1 10 ? -2.917 5.308 10.676 1.00 56.74 10 A 1 ATOM 70 C CA . TRP A 1 10 ? -3.413 3.950 10.469 1.00 56.80 10 A 1 ATOM 71 C C . TRP A 1 10 ? -3.414 3.573 8.981 1.00 56.86 10 A 1 ATOM 72 O O . TRP A 1 10 ? -2.867 2.529 8.623 1.00 55.95 10 A 1 ATOM 73 C CB . TRP A 1 10 ? -4.805 3.833 11.090 1.00 55.17 10 A 1 ATOM 74 C CG . TRP A 1 10 ? -5.460 2.507 10.890 1.00 50.62 10 A 1 ATOM 75 C CD1 . TRP A 1 10 ? -5.258 1.403 11.645 1.00 46.81 10 A 1 ATOM 76 C CD2 . TRP A 1 10 ? -6.441 2.128 9.877 1.00 47.09 10 A 1 ATOM 77 N NE1 . TRP A 1 10 ? -6.054 0.370 11.187 1.00 43.75 10 A 1 ATOM 78 C CE2 . TRP A 1 10 ? -6.812 0.763 10.106 1.00 44.97 10 A 1 ATOM 79 C CE3 . TRP A 1 10 ? -7.067 2.797 8.804 1.00 43.47 10 A 1 ATOM 80 C CZ2 . TRP A 1 10 ? -7.775 0.106 9.319 1.00 43.84 10 A 1 ATOM 81 C CZ3 . TRP A 1 10 ? -8.027 2.148 8.008 1.00 43.04 10 A 1 ATOM 82 C CH2 . TRP A 1 10 ? -8.388 0.805 8.266 1.00 41.75 10 A 1 ATOM 83 N N . ALA A 1 11 ? -3.939 4.446 8.117 1.00 55.19 11 A 1 ATOM 84 C CA . ALA A 1 11 ? -3.915 4.243 6.671 1.00 54.61 11 A 1 ATOM 85 C C . ALA A 1 11 ? -2.476 4.122 6.149 1.00 55.29 11 A 1 ATOM 86 O O . ALA A 1 11 ? -2.173 3.195 5.401 1.00 53.94 11 A 1 ATOM 87 C CB . ALA A 1 11 ? -4.662 5.399 5.997 1.00 52.29 11 A 1 ATOM 88 N N . LYS A 1 12 ? -1.559 4.983 6.619 1.00 56.39 12 A 1 ATOM 89 C CA . LYS A 1 12 ? -0.130 4.903 6.299 1.00 57.90 12 A 1 ATOM 90 C C . LYS A 1 12 ? 0.464 3.539 6.663 1.00 58.89 12 A 1 ATOM 91 O O . LYS A 1 12 ? 1.091 2.912 5.816 1.00 58.26 12 A 1 ATOM 92 C CB . LYS A 1 12 ? 0.605 6.058 6.994 1.00 56.47 12 A 1 ATOM 93 C CG . LYS A 1 12 ? 2.104 6.025 6.690 1.00 51.15 12 A 1 ATOM 94 C CD . LYS A 1 12 ? 2.848 7.167 7.381 1.00 48.55 12 A 1 ATOM 95 C CE . LYS A 1 12 ? 4.340 6.905 7.149 1.00 45.36 12 A 1 ATOM 96 N NZ . LYS A 1 12 ? 5.213 7.885 7.826 1.00 41.09 12 A 1 ATOM 97 N N . SER A 1 13 ? 0.220 3.053 7.883 1.00 60.17 13 A 1 ATOM 98 C CA . SER A 1 13 ? 0.743 1.752 8.331 1.00 61.11 13 A 1 ATOM 99 C C . SER A 1 13 ? 0.207 0.579 7.510 1.00 61.11 13 A 1 ATOM 100 O O . SER A 1 13 ? 0.928 -0.399 7.308 1.00 60.74 13 A 1 ATOM 101 C CB . SER A 1 13 ? 0.399 1.530 9.804 1.00 59.62 13 A 1 ATOM 102 O OG . SER A 1 13 ? 0.934 0.288 10.253 1.00 53.53 13 A 1 ATOM 103 N N . ILE A 1 14 ? -1.049 0.638 7.063 1.00 57.85 14 A 1 ATOM 104 C CA . ILE A 1 14 ? -1.620 -0.384 6.174 1.00 57.83 14 A 1 ATOM 105 C C . ILE A 1 14 ? -0.976 -0.299 4.798 1.00 58.01 14 A 1 ATOM 106 O O . ILE A 1 14 ? -0.524 -1.315 4.286 1.00 56.67 14 A 1 ATOM 107 C CB . ILE A 1 14 ? -3.156 -0.262 6.106 1.00 55.69 14 A 1 ATOM 108 C CG1 . ILE A 1 14 ? -3.724 -0.689 7.480 1.00 50.84 14 A 1 ATOM 109 C CG2 . ILE A 1 14 ? -3.746 -1.123 4.971 1.00 49.04 14 A 1 ATOM 110 C CD1 . ILE A 1 14 ? -5.240 -0.578 7.580 1.00 46.73 14 A 1 ATOM 111 N N . ILE A 1 15 ? -0.881 0.899 4.227 1.00 59.38 15 A 1 ATOM 112 C CA . ILE A 1 15 ? -0.282 1.123 2.912 1.00 59.16 15 A 1 ATOM 113 C C . ILE A 1 15 ? 1.173 0.639 2.887 1.00 59.82 15 A 1 ATOM 114 O O . ILE A 1 15 ? 1.557 -0.043 1.945 1.00 58.17 15 A 1 ATOM 115 C CB . ILE A 1 15 ? -0.406 2.614 2.544 1.00 57.14 15 A 1 ATOM 116 C CG1 . ILE A 1 15 ? -1.882 2.972 2.220 1.00 52.53 15 A 1 ATOM 117 C CG2 . ILE A 1 15 ? 0.492 2.965 1.350 1.00 50.33 15 A 1 ATOM 118 C CD1 . ILE A 1 15 ? -2.165 4.481 2.197 1.00 48.03 15 A 1 ATOM 119 N N . GLU A 1 16 ? 1.974 0.943 3.911 1.00 62.22 16 A 1 ATOM 120 C CA . GLU A 1 16 ? 3.367 0.482 4.005 1.00 62.64 16 A 1 ATOM 121 C C . GLU A 1 16 ? 3.453 -1.054 3.998 1.00 63.10 16 A 1 ATOM 122 O O . GLU A 1 16 ? 4.212 -1.627 3.219 1.00 62.39 16 A 1 ATOM 123 C CB . GLU A 1 16 ? 4.030 1.072 5.265 1.00 61.30 16 A 1 ATOM 124 C CG . GLU A 1 16 ? 4.371 2.563 5.096 1.00 55.66 16 A 1 ATOM 125 C CD . GLU A 1 16 ? 4.867 3.266 6.373 1.00 52.97 16 A 1 ATOM 126 O OE1 . GLU A 1 16 ? 5.424 4.388 6.244 1.00 50.34 16 A 1 ATOM 127 O OE2 . GLU A 1 16 ? 4.616 2.777 7.500 1.00 48.85 16 A 1 ATOM 128 N N . LYS A 1 17 ? 2.621 -1.724 4.808 1.00 64.80 17 A 1 ATOM 129 C CA . LYS A 1 17 ? 2.571 -3.196 4.855 1.00 64.94 17 A 1 ATOM 130 C C . LYS A 1 17 ? 2.073 -3.813 3.549 1.00 64.85 17 A 1 ATOM 131 O O . LYS A 1 17 ? 2.576 -4.856 3.140 1.00 63.42 17 A 1 ATOM 132 C CB . LYS A 1 17 ? 1.659 -3.647 5.993 1.00 63.57 17 A 1 ATOM 133 C CG . LYS A 1 17 ? 2.315 -3.422 7.353 1.00 58.89 17 A 1 ATOM 134 C CD . LYS A 1 17 ? 1.326 -3.817 8.444 1.00 56.75 17 A 1 ATOM 135 C CE . LYS A 1 17 ? 1.962 -3.584 9.809 1.00 51.84 17 A 1 ATOM 136 N NZ . LYS A 1 17 ? 1.023 -3.960 10.889 1.00 47.87 17 A 1 ATOM 137 N N . GLU A 1 18 ? 1.084 -3.195 2.921 1.00 62.33 18 A 1 ATOM 138 C CA . GLU A 1 18 ? 0.591 -3.635 1.622 1.00 62.46 18 A 1 ATOM 139 C C . GLU A 1 18 ? 1.689 -3.485 0.572 1.00 63.18 18 A 1 ATOM 140 O O . GLU A 1 18 ? 2.046 -4.474 -0.051 1.00 61.86 18 A 1 ATOM 141 C CB . GLU A 1 18 ? -0.682 -2.873 1.228 1.00 60.33 18 A 1 ATOM 142 C CG . GLU A 1 18 ? -1.922 -3.328 2.023 1.00 54.48 18 A 1 ATOM 143 C CD . GLU A 1 18 ? -2.330 -4.785 1.755 1.00 51.16 18 A 1 ATOM 144 O OE1 . GLU A 1 18 ? -2.886 -5.415 2.682 1.00 48.57 18 A 1 ATOM 145 O OE2 . GLU A 1 18 ? -2.104 -5.266 0.622 1.00 47.43 18 A 1 ATOM 146 N N . VAL A 1 19 ? 2.324 -2.316 0.435 1.00 62.73 19 A 1 ATOM 147 C CA . VAL A 1 19 ? 3.420 -2.116 -0.531 1.00 62.38 19 A 1 ATOM 148 C C . VAL A 1 19 ? 4.538 -3.146 -0.322 1.00 62.98 19 A 1 ATOM 149 O O . VAL A 1 19 ? 4.932 -3.802 -1.284 1.00 61.50 19 A 1 ATOM 150 C CB . VAL A 1 19 ? 3.954 -0.671 -0.480 1.00 60.43 19 A 1 ATOM 151 C CG1 . VAL A 1 19 ? 5.229 -0.474 -1.313 1.00 55.14 19 A 1 ATOM 152 C CG2 . VAL A 1 19 ? 2.904 0.296 -1.044 1.00 54.26 19 A 1 ATOM 153 N N . GLU A 1 20 ? 4.974 -3.373 0.921 1.00 64.61 20 A 1 ATOM 154 C CA . GLU A 1 20 ? 5.966 -4.409 1.243 1.00 64.56 20 A 1 ATOM 155 C C . GLU A 1 20 ? 5.500 -5.816 0.810 1.00 64.41 20 A 1 ATOM 156 O O . GLU A 1 20 ? 6.286 -6.600 0.270 1.00 63.39 20 A 1 ATOM 157 C CB . GLU A 1 20 ? 6.272 -4.418 2.760 1.00 63.39 20 A 1 ATOM 158 C CG . GLU A 1 20 ? 7.159 -3.252 3.247 1.00 58.59 20 A 1 ATOM 159 C CD . GLU A 1 20 ? 7.502 -3.317 4.760 1.00 56.46 20 A 1 ATOM 160 O OE1 . GLU A 1 20 ? 8.379 -2.540 5.223 1.00 53.39 20 A 1 ATOM 161 O OE2 . GLU A 1 20 ? 6.955 -4.179 5.489 1.00 52.71 20 A 1 ATOM 162 N N . ALA A 1 21 ? 4.226 -6.158 1.024 1.00 63.28 21 A 1 ATOM 163 C CA . ALA A 1 21 ? 3.676 -7.459 0.643 1.00 62.61 21 A 1 ATOM 164 C C . ALA A 1 21 ? 3.553 -7.627 -0.881 1.00 62.55 21 A 1 ATOM 165 O O . ALA A 1 21 ? 3.840 -8.704 -1.411 1.00 60.86 21 A 1 ATOM 166 C CB . ALA A 1 21 ? 2.318 -7.641 1.335 1.00 60.87 21 A 1 ATOM 167 N N . TRP A 1 22 ? 3.153 -6.572 -1.600 1.00 61.15 22 A 1 ATOM 168 C CA . TRP A 1 22 ? 3.028 -6.581 -3.062 1.00 60.32 22 A 1 ATOM 169 C C . TRP A 1 22 ? 4.403 -6.638 -3.747 1.00 59.57 22 A 1 ATOM 170 O O . TRP A 1 22 ? 4.591 -7.422 -4.678 1.00 57.63 22 A 1 ATOM 171 C CB . TRP A 1 22 ? 2.201 -5.373 -3.511 1.00 58.07 22 A 1 ATOM 172 C CG . TRP A 1 22 ? 0.714 -5.466 -3.269 1.00 55.63 22 A 1 ATOM 173 C CD1 . TRP A 1 22 ? 0.084 -5.164 -2.119 1.00 51.56 22 A 1 ATOM 174 C CD2 . TRP A 1 22 ? -0.348 -5.864 -4.193 1.00 50.95 22 A 1 ATOM 175 N NE1 . TRP A 1 22 ? -1.281 -5.347 -2.257 1.00 48.69 22 A 1 ATOM 176 C CE2 . TRP A 1 22 ? -1.605 -5.767 -3.516 1.00 48.58 22 A 1 ATOM 177 C CE3 . TRP A 1 22 ? -0.372 -6.281 -5.533 1.00 47.47 22 A 1 ATOM 178 C CZ2 . TRP A 1 22 ? -2.822 -6.052 -4.149 1.00 47.16 22 A 1 ATOM 179 C CZ3 . TRP A 1 22 ? -1.588 -6.575 -6.175 1.00 46.77 22 A 1 ATOM 180 C CH2 . TRP A 1 22 ? -2.812 -6.458 -5.495 1.00 46.58 22 A 1 ATOM 181 N N . GLU A 1 23 ? 5.390 -5.901 -3.229 1.00 60.82 23 A 1 ATOM 182 C CA . GLU A 1 23 ? 6.781 -6.007 -3.684 1.00 60.95 23 A 1 ATOM 183 C C . GLU A 1 23 ? 7.344 -7.414 -3.440 1.00 61.01 23 A 1 ATOM 184 O O . GLU A 1 23 ? 8.003 -7.982 -4.318 1.00 59.59 23 A 1 ATOM 185 C CB . GLU A 1 23 ? 7.649 -4.971 -2.961 1.00 59.06 23 A 1 ATOM 186 C CG . GLU A 1 23 ? 7.428 -3.544 -3.487 1.00 53.83 23 A 1 ATOM 187 C CD . GLU A 1 23 ? 8.289 -2.489 -2.763 1.00 51.23 23 A 1 ATOM 188 O OE1 . GLU A 1 23 ? 8.214 -1.311 -3.180 1.00 49.42 23 A 1 ATOM 189 O OE2 . GLU A 1 23 ? 9.054 -2.842 -1.839 1.00 47.81 23 A 1 ATOM 190 N N . ALA A 1 24 ? 7.036 -8.032 -2.291 1.00 59.45 24 A 1 ATOM 191 C CA . ALA A 1 24 ? 7.487 -9.379 -1.945 1.00 58.64 24 A 1 ATOM 192 C C . ALA A 1 24 ? 7.014 -10.466 -2.923 1.00 58.16 24 A 1 ATOM 193 O O . ALA A 1 24 ? 7.709 -11.468 -3.110 1.00 55.97 24 A 1 ATOM 194 C CB . ALA A 1 24 ? 7.029 -9.704 -0.521 1.00 56.77 24 A 1 ATOM 195 N N . ILE A 1 25 ? 5.859 -10.272 -3.566 1.00 54.18 25 A 1 ATOM 196 C CA . ILE A 1 25 ? 5.325 -11.182 -4.587 1.00 53.37 25 A 1 ATOM 197 C C . ILE A 1 25 ? 5.645 -10.734 -6.024 1.00 53.05 25 A 1 ATOM 198 O O . ILE A 1 25 ? 5.170 -11.346 -6.975 1.00 50.66 25 A 1 ATOM 199 C CB . ILE A 1 25 ? 3.827 -11.475 -4.350 1.00 51.19 25 A 1 ATOM 200 C CG1 . ILE A 1 25 ? 2.964 -10.200 -4.484 1.00 48.21 25 A 1 ATOM 201 C CG2 . ILE A 1 25 ? 3.636 -12.148 -2.973 1.00 47.42 25 A 1 ATOM 202 C CD1 . ILE A 1 25 ? 1.455 -10.450 -4.398 1.00 45.89 25 A 1 ATOM 203 N N . GLY A 1 26 ? 6.477 -9.700 -6.181 1.00 56.36 26 A 1 ATOM 204 C CA . GLY A 1 26 ? 6.958 -9.239 -7.484 1.00 55.41 26 A 1 ATOM 205 C C . GLY A 1 26 ? 5.946 -8.421 -8.287 1.00 56.45 26 A 1 ATOM 206 O O . GLY A 1 26 ? 6.076 -8.338 -9.506 1.00 54.04 26 A 1 ATOM 207 N N . VAL A 1 27 ? 4.948 -7.840 -7.625 1.00 56.85 27 A 1 ATOM 208 C CA . VAL A 1 27 ? 3.956 -6.972 -8.279 1.00 57.35 27 A 1 ATOM 209 C C . VAL A 1 27 ? 4.592 -5.623 -8.622 1.00 59.55 27 A 1 ATOM 210 O O . VAL A 1 27 ? 5.330 -5.050 -7.821 1.00 57.53 27 A 1 ATOM 211 C CB . VAL A 1 27 ? 2.698 -6.815 -7.414 1.00 54.21 27 A 1 ATOM 212 C CG1 . VAL A 1 27 ? 1.663 -5.864 -8.029 1.00 49.05 27 A 1 ATOM 213 C CG2 . VAL A 1 27 ? 2.005 -8.173 -7.243 1.00 47.96 27 A 1 ATOM 214 N N . ASP A 1 28 ? 4.294 -5.104 -9.818 1.00 60.59 28 A 1 ATOM 215 C CA . ASP A 1 28 ? 4.834 -3.820 -10.272 1.00 62.82 28 A 1 ATOM 216 C C . ASP A 1 28 ? 4.299 -2.668 -9.399 1.00 64.23 28 A 1 ATOM 217 O O . ASP A 1 28 ? 3.104 -2.562 -9.113 1.00 63.93 28 A 1 ATOM 218 C CB . ASP A 1 28 ? 4.524 -3.617 -11.771 1.00 61.08 28 A 1 ATOM 219 C CG . ASP A 1 28 ? 5.257 -2.422 -12.405 1.00 56.38 28 A 1 ATOM 220 O OD1 . ASP A 1 28 ? 5.009 -1.272 -11.986 1.00 54.57 28 A 1 ATOM 221 O OD2 . ASP A 1 28 ? 6.045 -2.616 -13.349 1.00 53.53 28 A 1 ATOM 222 N N . VAL A 1 29 ? 5.188 -1.741 -9.028 1.00 63.80 29 A 1 ATOM 223 C CA . VAL A 1 29 ? 4.861 -0.521 -8.269 1.00 63.45 29 A 1 ATOM 224 C C . VAL A 1 29 ? 3.701 0.271 -8.899 1.00 65.02 29 A 1 ATOM 225 O O . VAL A 1 29 ? 2.915 0.918 -8.199 1.00 63.75 29 A 1 ATOM 226 C CB . VAL A 1 29 ? 6.146 0.327 -8.160 1.00 61.18 29 A 1 ATOM 227 C CG1 . VAL A 1 29 ? 5.904 1.787 -7.779 1.00 54.66 29 A 1 ATOM 228 C CG2 . VAL A 1 29 ? 7.089 -0.266 -7.109 1.00 54.30 29 A 1 ATOM 229 N N . ARG A 1 30 ? 3.530 0.196 -10.219 1.00 66.63 30 A 1 ATOM 230 C CA . ARG A 1 30 ? 2.415 0.833 -10.934 1.00 67.05 30 A 1 ATOM 231 C C . ARG A 1 30 ? 1.070 0.189 -10.614 1.00 67.81 30 A 1 ATOM 232 O O . ARG A 1 30 ? 0.077 0.910 -10.522 1.00 66.77 30 A 1 ATOM 233 C CB . ARG A 1 30 ? 2.662 0.784 -12.443 1.00 66.37 30 A 1 ATOM 234 C CG . ARG A 1 30 ? 3.900 1.591 -12.838 1.00 62.36 30 A 1 ATOM 235 C CD . ARG A 1 30 ? 4.193 1.364 -14.315 1.00 61.42 30 A 1 ATOM 236 N NE . ARG A 1 30 ? 5.385 2.112 -14.732 1.00 55.69 30 A 1 ATOM 237 C CZ . ARG A 1 30 ? 5.890 2.142 -15.952 1.00 50.53 30 A 1 ATOM 238 N NH1 . ARG A 1 30 ? 5.340 1.482 -16.935 1.00 46.73 30 A 1 ATOM 239 N NH2 . ARG A 1 30 ? 6.960 2.834 -16.203 1.00 44.31 30 A 1 ATOM 240 N N . GLU A 1 31 ? 1.033 -1.137 -10.439 1.00 64.29 31 A 1 ATOM 241 C CA . GLU A 1 31 ? -0.173 -1.873 -10.057 1.00 64.34 31 A 1 ATOM 242 C C . GLU A 1 31 ? -0.557 -1.556 -8.608 1.00 64.67 31 A 1 ATOM 243 O O . GLU A 1 31 ? -1.717 -1.241 -8.338 1.00 63.83 31 A 1 ATOM 244 C CB . GLU A 1 31 ? 0.031 -3.382 -10.255 1.00 62.99 31 A 1 ATOM 245 C CG . GLU A 1 31 ? 0.290 -3.738 -11.726 1.00 57.45 31 A 1 ATOM 246 C CD . GLU A 1 31 ? 0.426 -5.250 -11.932 1.00 55.33 31 A 1 ATOM 247 O OE1 . GLU A 1 31 ? -0.243 -5.764 -12.849 1.00 52.13 31 A 1 ATOM 248 O OE2 . GLU A 1 31 ? 1.201 -5.878 -11.177 1.00 51.51 31 A 1 ATOM 249 N N . VAL A 1 32 ? 0.432 -1.495 -7.702 1.00 63.07 32 A 1 ATOM 250 C CA . VAL A 1 32 ? 0.226 -1.042 -6.317 1.00 62.07 32 A 1 ATOM 251 C C . VAL A 1 32 ? -0.327 0.386 -6.288 1.00 62.46 32 A 1 ATOM 252 O O . VAL A 1 32 ? -1.326 0.662 -5.625 1.00 61.17 32 A 1 ATOM 253 C CB . VAL A 1 32 ? 1.530 -1.118 -5.497 1.00 60.16 32 A 1 ATOM 254 C CG1 . VAL A 1 32 ? 1.265 -0.749 -4.034 1.00 55.07 32 A 1 ATOM 255 C CG2 . VAL A 1 32 ? 2.154 -2.516 -5.531 1.00 54.31 32 A 1 ATOM 256 N N . ALA A 1 33 ? 0.262 1.305 -7.054 1.00 66.49 33 A 1 ATOM 257 C CA . ALA A 1 33 ? -0.222 2.681 -7.117 1.00 66.19 33 A 1 ATOM 258 C C . ALA A 1 33 ? -1.629 2.794 -7.729 1.00 65.65 33 A 1 ATOM 259 O O . ALA A 1 33 ? -2.410 3.647 -7.297 1.00 64.66 33 A 1 ATOM 260 C CB . ALA A 1 33 ? 0.782 3.521 -7.901 1.00 65.74 33 A 1 ATOM 261 N N . ALA A 1 34 ? -1.974 1.958 -8.713 1.00 67.86 34 A 1 ATOM 262 C CA . ALA A 1 34 ? -3.322 1.905 -9.275 1.00 66.88 34 A 1 ATOM 263 C C . ALA A 1 34 ? -4.344 1.420 -8.234 1.00 65.58 34 A 1 ATOM 264 O O . ALA A 1 34 ? -5.404 2.032 -8.090 1.00 63.57 34 A 1 ATOM 265 C CB . ALA A 1 34 ? -3.314 1.017 -10.525 1.00 66.55 34 A 1 ATOM 266 N N . PHE A 1 35 ? -4.001 0.386 -7.463 1.00 61.70 35 A 1 ATOM 267 C CA . PHE A 1 35 ? -4.821 -0.089 -6.351 1.00 60.48 35 A 1 ATOM 268 C C . PHE A 1 35 ? -5.025 1.010 -5.302 1.00 60.49 35 A 1 ATOM 269 O O . PHE A 1 35 ? -6.162 1.328 -4.962 1.00 59.24 35 A 1 ATOM 270 C CB . PHE A 1 35 ? -4.177 -1.341 -5.749 1.00 58.49 35 A 1 ATOM 271 C CG . PHE A 1 35 ? -4.904 -1.850 -4.519 1.00 53.98 35 A 1 ATOM 272 C CD1 . PHE A 1 35 ? -4.346 -1.669 -3.237 1.00 50.45 35 A 1 ATOM 273 C CD2 . PHE A 1 35 ? -6.152 -2.480 -4.659 1.00 49.44 35 A 1 ATOM 274 C CE1 . PHE A 1 35 ? -5.031 -2.135 -2.103 1.00 46.33 35 A 1 ATOM 275 C CE2 . PHE A 1 35 ? -6.839 -2.941 -3.522 1.00 46.09 35 A 1 ATOM 276 C CZ . PHE A 1 35 ? -6.277 -2.771 -2.244 1.00 46.18 35 A 1 ATOM 277 N N . LEU A 1 36 ? -3.957 1.678 -4.869 1.00 57.58 36 A 1 ATOM 278 C CA . LEU A 1 36 ? -4.031 2.750 -3.875 1.00 56.83 36 A 1 ATOM 279 C C . LEU A 1 36 ? -4.878 3.943 -4.341 1.00 56.32 36 A 1 ATOM 280 O O . LEU A 1 36 ? -5.635 4.495 -3.547 1.00 54.64 36 A 1 ATOM 281 C CB . LEU A 1 36 ? -2.606 3.179 -3.516 1.00 55.62 36 A 1 ATOM 282 C CG . LEU A 1 36 ? -1.831 2.089 -2.753 1.00 52.98 36 A 1 ATOM 283 C CD1 . LEU A 1 36 ? -0.352 2.437 -2.707 1.00 51.37 36 A 1 ATOM 284 C CD2 . LEU A 1 36 ? -2.367 1.910 -1.334 1.00 50.02 36 A 1 ATOM 285 N N . ARG A 1 37 ? -4.829 4.293 -5.631 1.00 61.96 37 A 1 ATOM 286 C CA . ARG A 1 37 ? -5.725 5.310 -6.219 1.00 61.02 37 A 1 ATOM 287 C C . ARG A 1 37 ? -7.195 4.897 -6.189 1.00 59.52 37 A 1 ATOM 288 O O . ARG A 1 37 ? -8.046 5.770 -6.177 1.00 57.18 37 A 1 ATOM 289 C CB . ARG A 1 37 ? -5.332 5.593 -7.671 1.00 60.93 37 A 1 ATOM 290 C CG . ARG A 1 37 ? -4.050 6.420 -7.794 1.00 58.96 37 A 1 ATOM 291 C CD . ARG A 1 37 ? -3.677 6.545 -9.273 1.00 59.31 37 A 1 ATOM 292 N NE . ARG A 1 37 ? -2.317 7.089 -9.439 1.00 57.08 37 A 1 ATOM 293 C CZ . ARG A 1 37 ? -1.360 6.618 -10.216 1.00 53.32 37 A 1 ATOM 294 N NH1 . ARG A 1 37 ? -1.531 5.595 -11.005 1.00 50.67 37 A 1 ATOM 295 N NH2 . ARG A 1 37 ? -0.192 7.178 -10.210 1.00 49.13 37 A 1 ATOM 296 N N . SER A 1 38 ? -7.492 3.599 -6.217 1.00 58.19 38 A 1 ATOM 297 C CA . SER A 1 38 ? -8.873 3.106 -6.209 1.00 56.82 38 A 1 ATOM 298 C C . SER A 1 38 ? -9.519 3.108 -4.819 1.00 55.85 38 A 1 ATOM 299 O O . SER A 1 38 ? -10.738 3.080 -4.727 1.00 53.70 38 A 1 ATOM 300 C CB . SER A 1 38 ? -8.955 1.715 -6.846 1.00 54.86 38 A 1 ATOM 301 O OG . SER A 1 38 ? -8.479 0.685 -5.997 1.00 49.77 38 A 1 ATOM 302 N N . ILE A 1 39 ? -8.712 3.141 -3.753 1.00 53.76 39 A 1 ATOM 303 C CA . ILE A 1 39 ? -9.183 3.051 -2.361 1.00 52.12 39 A 1 ATOM 304 C C . ILE A 1 39 ? -8.971 4.338 -1.556 1.00 51.43 39 A 1 ATOM 305 O O . ILE A 1 39 ? -9.280 4.375 -0.365 1.00 48.88 39 A 1 ATOM 306 C CB . ILE A 1 39 ? -8.554 1.831 -1.646 1.00 49.65 39 A 1 ATOM 307 C CG1 . ILE A 1 39 ? -7.024 1.983 -1.490 1.00 46.83 39 A 1 ATOM 308 C CG2 . ILE A 1 39 ? -8.927 0.530 -2.380 1.00 46.67 39 A 1 ATOM 309 C CD1 . ILE A 1 39 ? -6.377 0.932 -0.587 1.00 44.57 39 A 1 ATOM 310 N N . SER A 1 40 ? -8.397 5.382 -2.158 1.00 51.45 40 A 1 ATOM 311 C CA . SER A 1 40 ? -8.019 6.611 -1.458 1.00 51.71 40 A 1 ATOM 312 C C . SER A 1 40 ? -8.208 7.830 -2.359 1.00 52.45 40 A 1 ATOM 313 O O . SER A 1 40 ? -7.777 7.831 -3.509 1.00 49.64 40 A 1 ATOM 314 C CB . SER A 1 40 ? -6.572 6.465 -0.956 1.00 48.43 40 A 1 ATOM 315 O OG . SER A 1 40 ? -5.771 7.600 -1.169 1.00 43.70 40 A 1 ATOM 316 N N . ASP A 1 41 ? -8.737 8.912 -1.786 1.00 50.52 41 A 1 ATOM 317 C CA . ASP A 1 41 ? -8.808 10.235 -2.424 1.00 51.19 41 A 1 ATOM 318 C C . ASP A 1 41 ? -7.446 10.951 -2.476 1.00 52.18 41 A 1 ATOM 319 O O . ASP A 1 41 ? -7.313 12.068 -2.989 1.00 50.30 41 A 1 ATOM 320 C CB . ASP A 1 41 ? -9.827 11.109 -1.671 1.00 48.71 41 A 1 ATOM 321 C CG . ASP A 1 41 ? -11.248 10.554 -1.713 1.00 44.32 41 A 1 ATOM 322 O OD1 . ASP A 1 41 ? -11.628 10.029 -2.779 1.00 41.54 41 A 1 ATOM 323 O OD2 . ASP A 1 41 ? -11.922 10.690 -0.669 1.00 40.64 41 A 1 ATOM 324 N N . ALA A 1 42 ? -6.394 10.340 -1.910 1.00 52.00 42 A 1 ATOM 325 C CA . ALA A 1 42 ? -5.058 10.902 -1.947 1.00 52.11 42 A 1 ATOM 326 C C . ALA A 1 42 ? -4.487 10.842 -3.368 1.00 53.84 42 A 1 ATOM 327 O O . ALA A 1 42 ? -4.619 9.863 -4.105 1.00 52.08 42 A 1 ATOM 328 C CB . ALA A 1 42 ? -4.147 10.196 -0.935 1.00 49.08 42 A 1 ATOM 329 N N . ARG A 1 43 ? -3.775 11.898 -3.753 1.00 55.66 43 A 1 ATOM 330 C CA . ARG A 1 43 ? -3.050 11.907 -5.018 1.00 56.74 43 A 1 ATOM 331 C C . ARG A 1 43 ? -1.834 10.992 -4.897 1.00 57.30 43 A 1 ATOM 332 O O . ARG A 1 43 ? -0.865 11.339 -4.231 1.00 56.41 43 A 1 ATOM 333 C CB . ARG A 1 43 ? -2.698 13.351 -5.395 1.00 54.95 43 A 1 ATOM 334 C CG . ARG A 1 43 ? -2.122 13.421 -6.813 1.00 49.99 43 A 1 ATOM 335 C CD . ARG A 1 43 ? -1.802 14.874 -7.171 1.00 48.69 43 A 1 ATOM 336 N NE . ARG A 1 43 ? -1.303 14.989 -8.552 1.00 44.18 43 A 1 ATOM 337 C CZ . ARG A 1 43 ? -0.891 16.099 -9.142 1.00 40.18 43 A 1 ATOM 338 N NH1 . ARG A 1 43 ? -0.881 17.243 -8.516 1.00 38.03 43 A 1 ATOM 339 N NH2 . ARG A 1 43 ? -0.487 16.074 -10.379 1.00 35.49 43 A 1 ATOM 340 N N . VAL A 1 44 ? -1.867 9.863 -5.590 1.00 57.85 44 A 1 ATOM 341 C CA . VAL A 1 44 ? -0.756 8.901 -5.665 1.00 58.96 44 A 1 ATOM 342 C C . VAL A 1 44 ? 0.083 9.176 -6.913 1.00 59.63 44 A 1 ATOM 343 O O . VAL A 1 44 ? -0.419 9.106 -8.040 1.00 58.83 44 A 1 ATOM 344 C CB . VAL A 1 44 ? -1.270 7.451 -5.647 1.00 57.94 44 A 1 ATOM 345 C CG1 . VAL A 1 44 ? -0.101 6.467 -5.558 1.00 52.73 44 A 1 ATOM 346 C CG2 . VAL A 1 44 ? -2.215 7.186 -4.469 1.00 53.75 44 A 1 ATOM 347 N N . ILE A 1 45 ? 1.358 9.491 -6.730 1.00 62.31 45 A 1 ATOM 348 C CA . ILE A 1 45 ? 2.335 9.806 -7.783 1.00 61.89 45 A 1 ATOM 349 C C . ILE A 1 45 ? 3.474 8.791 -7.695 1.00 61.26 45 A 1 ATOM 350 O O . ILE A 1 45 ? 3.913 8.460 -6.605 1.00 59.29 45 A 1 ATOM 351 C CB . ILE A 1 45 ? 2.850 11.260 -7.630 1.00 59.69 45 A 1 ATOM 352 C CG1 . ILE A 1 45 ? 1.686 12.282 -7.610 1.00 55.14 45 A 1 ATOM 353 C CG2 . ILE A 1 45 ? 3.854 11.599 -8.751 1.00 55.63 45 A 1 ATOM 354 C CD1 . ILE A 1 45 ? 2.120 13.712 -7.262 1.00 52.36 45 A 1 ATOM 355 N N . ILE A 1 46 ? 3.959 8.313 -8.836 1.00 60.98 46 A 1 ATOM 356 C CA . ILE A 1 46 ? 5.189 7.509 -8.913 1.00 60.61 46 A 1 ATOM 357 C C . ILE A 1 46 ? 6.251 8.391 -9.550 1.00 59.95 46 A 1 ATOM 358 O O . ILE A 1 46 ? 6.005 8.964 -10.610 1.00 57.59 46 A 1 ATOM 359 C CB . ILE A 1 46 ? 4.982 6.203 -9.705 1.00 59.44 46 A 1 ATOM 360 C CG1 . ILE A 1 46 ? 3.842 5.358 -9.104 1.00 55.05 46 A 1 ATOM 361 C CG2 . ILE A 1 46 ? 6.293 5.385 -9.716 1.00 56.25 46 A 1 ATOM 362 C CD1 . ILE A 1 46 ? 3.427 4.215 -10.030 1.00 53.75 46 A 1 ATOM 363 N N . ASP A 1 47 ? 7.401 8.534 -8.908 1.00 58.00 47 A 1 ATOM 364 C CA . ASP A 1 47 ? 8.513 9.293 -9.472 1.00 58.38 47 A 1 ATOM 365 C C . ASP A 1 47 ? 9.441 8.428 -10.340 1.00 57.00 47 A 1 ATOM 366 O O . ASP A 1 47 ? 9.258 7.221 -10.509 1.00 55.03 47 A 1 ATOM 367 C CB . ASP A 1 47 ? 9.238 10.092 -8.373 1.00 56.72 47 A 1 ATOM 368 C CG . ASP A 1 47 ? 10.176 9.286 -7.468 1.00 52.81 47 A 1 ATOM 369 O OD1 . ASP A 1 47 ? 10.479 8.117 -7.780 1.00 51.37 47 A 1 ATOM 370 O OD2 . ASP A 1 47 ? 10.660 9.906 -6.495 1.00 52.29 47 A 1 ATOM 371 N N . ASN A 1 48 ? 10.471 9.068 -10.909 1.00 58.73 48 A 1 ATOM 372 C CA . ASN A 1 48 ? 11.446 8.408 -11.788 1.00 57.43 48 A 1 ATOM 373 C C . ASN A 1 48 ? 12.351 7.392 -11.059 1.00 57.24 48 A 1 ATOM 374 O O . ASN A 1 48 ? 13.160 6.733 -11.704 1.00 55.25 48 A 1 ATOM 375 C CB . ASN A 1 48 ? 12.304 9.487 -12.472 1.00 54.86 48 A 1 ATOM 376 C CG . ASN A 1 48 ? 11.520 10.429 -13.367 1.00 50.33 48 A 1 ATOM 377 O OD1 . ASN A 1 48 ? 10.392 10.204 -13.758 1.00 47.99 48 A 1 ATOM 378 N ND2 . ASN A 1 48 ? 12.111 11.545 -13.728 1.00 46.63 48 A 1 ATOM 379 N N . ARG A 1 49 ? 12.249 7.292 -9.731 1.00 56.29 49 A 1 ATOM 380 C CA . ARG A 1 49 ? 12.981 6.335 -8.890 1.00 56.03 49 A 1 ATOM 381 C C . ARG A 1 49 ? 12.090 5.178 -8.434 1.00 55.54 49 A 1 ATOM 382 O O . ARG A 1 49 ? 12.505 4.418 -7.569 1.00 52.67 49 A 1 ATOM 383 C CB . ARG A 1 49 ? 13.604 7.062 -7.689 1.00 54.04 49 A 1 ATOM 384 C CG . ARG A 1 49 ? 14.567 8.182 -8.098 1.00 49.98 49 A 1 ATOM 385 C CD . ARG A 1 49 ? 15.119 8.847 -6.840 1.00 48.95 49 A 1 ATOM 386 N NE . ARG A 1 49 ? 16.042 9.948 -7.176 1.00 44.64 49 A 1 ATOM 387 C CZ . ARG A 1 49 ? 16.668 10.718 -6.304 1.00 41.07 49 A 1 ATOM 388 N NH1 . ARG A 1 49 ? 16.513 10.565 -5.017 1.00 38.56 49 A 1 ATOM 389 N NH2 . ARG A 1 49 ? 17.466 11.663 -6.716 1.00 36.57 49 A 1 ATOM 390 N N . ASN A 1 50 ? 10.887 5.051 -9.003 1.00 56.46 50 A 1 ATOM 391 C CA . ASN A 1 50 ? 9.849 4.110 -8.584 1.00 56.72 50 A 1 ATOM 392 C C . ASN A 1 50 ? 9.387 4.314 -7.130 1.00 57.52 50 A 1 ATOM 393 O O . ASN A 1 50 ? 8.891 3.384 -6.510 1.00 55.83 50 A 1 ATOM 394 C CB . ASN A 1 50 ? 10.257 2.658 -8.895 1.00 53.80 50 A 1 ATOM 395 C CG . ASN A 1 50 ? 10.374 2.356 -10.373 1.00 49.29 50 A 1 ATOM 396 O OD1 . ASN A 1 50 ? 9.738 2.951 -11.230 1.00 46.73 50 A 1 ATOM 397 N ND2 . ASN A 1 50 ? 11.185 1.382 -10.728 1.00 45.72 50 A 1 ATOM 398 N N . LEU A 1 51 ? 9.519 5.534 -6.590 1.00 54.93 51 A 1 ATOM 399 C CA . LEU A 1 51 ? 8.968 5.843 -5.277 1.00 56.13 51 A 1 ATOM 400 C C . LEU A 1 51 ? 7.492 6.204 -5.415 1.00 57.31 51 A 1 ATOM 401 O O . LEU A 1 51 ? 7.111 6.965 -6.309 1.00 55.82 51 A 1 ATOM 402 C CB . LEU A 1 51 ? 9.754 6.969 -4.590 1.00 53.04 51 A 1 ATOM 403 C CG . LEU A 1 51 ? 11.273 6.754 -4.511 1.00 47.49 51 A 1 ATOM 404 C CD1 . LEU A 1 51 ? 11.926 7.906 -3.748 1.00 44.74 51 A 1 ATOM 405 C CD2 . LEU A 1 51 ? 11.636 5.454 -3.799 1.00 44.20 51 A 1 ATOM 406 N N . ILE A 1 52 ? 6.663 5.667 -4.517 1.00 55.79 52 A 1 ATOM 407 C CA . ILE A 1 52 ? 5.246 6.024 -4.434 1.00 56.41 52 A 1 ATOM 408 C C . ILE A 1 52 ? 5.105 7.204 -3.479 1.00 55.81 52 A 1 ATOM 409 O O . ILE A 1 52 ? 5.393 7.100 -2.292 1.00 54.51 52 A 1 ATOM 410 C CB . ILE A 1 52 ? 4.361 4.831 -4.016 1.00 55.83 52 A 1 ATOM 411 C CG1 . ILE A 1 52 ? 4.541 3.628 -4.967 1.00 53.06 52 A 1 ATOM 412 C CG2 . ILE A 1 52 ? 2.886 5.274 -4.002 1.00 53.08 52 A 1 ATOM 413 C CD1 . ILE A 1 52 ? 3.763 2.380 -4.540 1.00 51.21 52 A 1 ATOM 414 N N . HIS A 1 53 ? 4.612 8.326 -4.003 1.00 56.71 53 A 1 ATOM 415 C CA . HIS A 1 53 ? 4.303 9.523 -3.236 1.00 56.90 53 A 1 ATOM 416 C C . HIS A 1 53 ? 2.797 9.645 -3.035 1.00 56.43 53 A 1 ATOM 417 O O . HIS A 1 53 ? 2.023 9.588 -3.988 1.00 54.89 53 A 1 ATOM 418 C CB . HIS A 1 53 ? 4.857 10.771 -3.927 1.00 54.53 53 A 1 ATOM 419 C CG . HIS A 1 53 ? 6.348 10.731 -4.123 1.00 50.52 53 A 1 ATOM 420 N ND1 . HIS A 1 53 ? 7.297 11.224 -3.245 1.00 47.10 53 A 1 ATOM 421 C CD2 . HIS A 1 53 ? 6.989 10.170 -5.190 1.00 46.30 53 A 1 ATOM 422 C CE1 . HIS A 1 53 ? 8.491 10.954 -3.782 1.00 45.21 53 A 1 ATOM 423 N NE2 . HIS A 1 53 ? 8.347 10.325 -4.959 1.00 45.92 53 A 1 ATOM 424 N N . PHE A 1 54 ? 2.387 9.891 -1.800 1.00 51.74 54 A 1 ATOM 425 C CA . PHE A 1 54 ? 1.012 10.211 -1.427 1.00 51.17 54 A 1 ATOM 426 C C . PHE A 1 54 ? 0.920 11.687 -1.091 1.00 50.50 54 A 1 ATOM 427 O O . PHE A 1 54 ? 1.650 12.170 -0.232 1.00 49.19 54 A 1 ATOM 428 C CB . PHE A 1 54 ? 0.571 9.376 -0.228 1.00 49.60 54 A 1 ATOM 429 C CG . PHE A 1 54 ? 0.575 7.900 -0.526 1.00 47.22 54 A 1 ATOM 430 C CD1 . PHE A 1 54 ? -0.591 7.281 -0.999 1.00 44.83 54 A 1 ATOM 431 C CD2 . PHE A 1 54 ? 1.771 7.170 -0.391 1.00 44.62 54 A 1 ATOM 432 C CE1 . PHE A 1 54 ? -0.554 5.928 -1.349 1.00 41.43 54 A 1 ATOM 433 C CE2 . PHE A 1 54 ? 1.806 5.820 -0.750 1.00 41.48 54 A 1 ATOM 434 C CZ . PHE A 1 54 ? 0.644 5.201 -1.232 1.00 40.81 54 A 1 ATOM 435 N N . GLN A 1 55 ? 0.003 12.388 -1.730 1.00 49.42 55 A 1 ATOM 436 C CA . GLN A 1 55 ? -0.339 13.760 -1.379 1.00 49.85 55 A 1 ATOM 437 C C . GLN A 1 55 ? -1.797 13.818 -0.937 1.00 48.68 55 A 1 ATOM 438 O O . GLN A 1 55 ? -2.703 13.580 -1.735 1.00 46.77 55 A 1 ATOM 439 C CB . GLN A 1 55 ? -0.058 14.708 -2.552 1.00 48.77 55 A 1 ATOM 440 C CG . GLN A 1 55 ? 1.445 14.838 -2.827 1.00 44.99 55 A 1 ATOM 441 C CD . GLN A 1 55 ? 1.755 15.824 -3.946 1.00 43.00 55 A 1 ATOM 442 O OE1 . GLN A 1 55 ? 0.945 16.143 -4.805 1.00 41.60 55 A 1 ATOM 443 N NE2 . GLN A 1 55 ? 2.961 16.341 -3.989 1.00 40.95 55 A 1 ATOM 444 N N . SER A 1 56 ? -2.025 14.147 0.329 1.00 46.11 56 A 1 ATOM 445 C CA . SER A 1 56 ? -3.355 14.394 0.879 1.00 45.88 56 A 1 ATOM 446 C C . SER A 1 56 ? -3.303 15.628 1.769 1.00 44.64 56 A 1 ATOM 447 O O . SER A 1 56 ? -2.424 15.744 2.616 1.00 42.21 56 A 1 ATOM 448 C CB . SER A 1 56 ? -3.865 13.183 1.650 1.00 43.29 56 A 1 ATOM 449 O OG . SER A 1 56 ? -5.184 13.438 2.087 1.00 40.08 56 A 1 ATOM 450 N N . SER A 1 57 ? -4.224 16.576 1.550 1.00 44.08 57 A 1 ATOM 451 C CA . SER A 1 57 ? -4.406 17.764 2.404 1.00 44.06 57 A 1 ATOM 452 C C . SER A 1 57 ? -3.118 18.556 2.700 1.00 43.78 57 A 1 ATOM 453 O O . SER A 1 57 ? -2.917 19.045 3.807 1.00 40.99 57 A 1 ATOM 454 C CB . SER A 1 57 ? -5.144 17.367 3.687 1.00 40.96 57 A 1 ATOM 455 O OG . SER A 1 57 ? -6.367 16.726 3.357 1.00 37.33 57 A 1 ATOM 456 N N . GLY A 1 58 ? -2.219 18.678 1.713 1.00 43.60 58 A 1 ATOM 457 C CA . GLY A 1 58 ? -0.949 19.409 1.845 1.00 43.40 58 A 1 ATOM 458 C C . GLY A 1 58 ? 0.192 18.629 2.506 1.00 43.75 58 A 1 ATOM 459 O O . GLY A 1 58 ? 1.290 19.163 2.628 1.00 41.45 58 A 1 ATOM 460 N N . ILE A 1 59 ? -0.032 17.372 2.885 1.00 39.40 59 A 1 ATOM 461 C CA . ILE A 1 59 ? 0.997 16.481 3.433 1.00 40.10 59 A 1 ATOM 462 C C . ILE A 1 59 ? 1.450 15.515 2.335 1.00 40.50 59 A 1 ATOM 463 O O . ILE A 1 59 ? 0.627 14.891 1.670 1.00 38.83 59 A 1 ATOM 464 C CB . ILE A 1 59 ? 0.492 15.753 4.695 1.00 37.80 59 A 1 ATOM 465 C CG1 . ILE A 1 59 ? -0.119 16.737 5.721 1.00 34.59 59 A 1 ATOM 466 C CG2 . ILE A 1 59 ? 1.678 15.004 5.332 1.00 35.29 59 A 1 ATOM 467 C CD1 . ILE A 1 59 ? -0.726 16.072 6.959 1.00 33.15 59 A 1 ATOM 468 N N . SER A 1 60 ? 2.766 15.412 2.142 1.00 43.01 60 A 1 ATOM 469 C CA . SER A 1 60 ? 3.386 14.491 1.187 1.00 44.42 60 A 1 ATOM 470 C C . SER A 1 60 ? 4.143 13.391 1.928 1.00 45.43 60 A 1 ATOM 471 O O . SER A 1 60 ? 4.965 13.676 2.797 1.00 44.17 60 A 1 ATOM 472 C CB . SER A 1 60 ? 4.330 15.228 0.233 1.00 42.49 60 A 1 ATOM 473 O OG . SER A 1 60 ? 3.622 16.189 -0.534 1.00 37.78 60 A 1 ATOM 474 N N . TYR A 1 61 ? 3.890 12.141 1.554 1.00 41.43 61 A 1 ATOM 475 C CA . TYR A 1 61 ? 4.618 10.968 2.042 1.00 43.09 61 A 1 ATOM 476 C C . TYR A 1 61 ? 5.293 10.271 0.866 1.00 43.88 61 A 1 ATOM 477 O O . TYR A 1 61 ? 4.727 10.236 -0.222 1.00 43.06 61 A 1 ATOM 478 C CB . TYR A 1 61 ? 3.664 10.004 2.755 1.00 41.26 61 A 1 ATOM 479 C CG . TYR A 1 61 ? 2.877 10.634 3.882 1.00 38.78 61 A 1 ATOM 480 C CD1 . TYR A 1 61 ? 3.467 10.789 5.149 1.00 36.47 61 A 1 ATOM 481 C CD2 . TYR A 1 61 ? 1.558 11.078 3.659 1.00 36.28 61 A 1 ATOM 482 C CE1 . TYR A 1 61 ? 2.740 11.372 6.200 1.00 33.35 61 A 1 ATOM 483 C CE2 . TYR A 1 61 ? 0.828 11.664 4.710 1.00 33.53 61 A 1 ATOM 484 C CZ . TYR A 1 61 ? 1.418 11.804 5.983 1.00 31.89 61 A 1 ATOM 485 O OH . TYR A 1 61 ? 0.709 12.352 7.008 1.00 30.96 61 A 1 ATOM 486 N N . SER A 1 62 ? 6.477 9.703 1.092 1.00 46.83 62 A 1 ATOM 487 C CA . SER A 1 62 ? 7.199 8.907 0.096 1.00 48.06 62 A 1 ATOM 488 C C . SER A 1 62 ? 7.451 7.509 0.652 1.00 48.45 62 A 1 ATOM 489 O O . SER A 1 62 ? 7.938 7.376 1.773 1.00 47.24 62 A 1 ATOM 490 C CB . SER A 1 62 ? 8.521 9.572 -0.299 1.00 45.27 62 A 1 ATOM 491 O OG . SER A 1 62 ? 8.293 10.885 -0.783 1.00 39.76 62 A 1 ATOM 492 N N . LEU A 1 63 ? 7.099 6.483 -0.131 1.00 45.85 63 A 1 ATOM 493 C CA . LEU A 1 63 ? 7.454 5.089 0.119 1.00 46.57 63 A 1 ATOM 494 C C . LEU A 1 63 ? 8.578 4.707 -0.840 1.00 46.32 63 A 1 ATOM 495 O O . LEU A 1 63 ? 8.432 4.841 -2.055 1.00 44.27 63 A 1 ATOM 496 C CB . LEU A 1 63 ? 6.225 4.186 -0.067 1.00 44.48 63 A 1 ATOM 497 C CG . LEU A 1 63 ? 5.119 4.415 0.976 1.00 41.15 63 A 1 ATOM 498 C CD1 . LEU A 1 63 ? 3.891 3.596 0.599 1.00 39.11 63 A 1 ATOM 499 C CD2 . LEU A 1 63 ? 5.551 3.992 2.380 1.00 39.10 63 A 1 ATOM 500 N N . GLU A 1 64 ? 9.704 4.282 -0.289 1.00 44.88 64 A 1 ATOM 501 C CA . GLU A 1 64 ? 10.812 3.748 -1.076 1.00 45.91 64 A 1 ATOM 502 C C . GLU A 1 64 ? 10.494 2.301 -1.459 1.00 44.44 64 A 1 ATOM 503 O O . GLU A 1 64 ? 10.355 1.444 -0.583 1.00 41.82 64 A 1 ATOM 504 C CB . GLU A 1 64 ? 12.144 3.848 -0.309 1.00 44.70 64 A 1 ATOM 505 C CG . GLU A 1 64 ? 12.595 5.309 -0.121 1.00 40.72 64 A 1 ATOM 506 C CD . GLU A 1 64 ? 14.018 5.474 0.440 1.00 38.91 64 A 1 ATOM 507 O OE1 . GLU A 1 64 ? 14.532 6.617 0.375 1.00 37.13 64 A 1 ATOM 508 O OE2 . GLU A 1 64 ? 14.601 4.480 0.932 1.00 37.64 64 A 1 ATOM 509 N N . SER A 1 65 ? 10.396 2.025 -2.761 1.00 43.76 65 A 1 ATOM 510 C CA . SER A 1 65 ? 10.437 0.650 -3.251 1.00 43.68 65 A 1 ATOM 511 C C . SER A 1 65 ? 11.853 0.118 -3.030 1.00 43.51 65 A 1 ATOM 512 O O . SER A 1 65 ? 12.818 0.613 -3.618 1.00 41.00 65 A 1 ATOM 513 C CB . SER A 1 65 ? 10.007 0.551 -4.721 1.00 40.65 65 A 1 ATOM 514 O OG . SER A 1 65 ? 10.901 1.218 -5.589 1.00 37.34 65 A 1 ATOM 515 N N . SER A 1 66 ? 12.017 -0.865 -2.150 1.00 38.74 66 A 1 ATOM 516 C CA . SER A 1 66 ? 13.296 -1.560 -2.024 1.00 39.48 66 A 1 ATOM 517 C C . SER A 1 66 ? 13.386 -2.624 -3.116 1.00 39.12 66 A 1 ATOM 518 O O . SER A 1 66 ? 12.503 -3.478 -3.197 1.00 37.25 66 A 1 ATOM 519 C CB . SER A 1 66 ? 13.467 -2.176 -0.636 1.00 37.48 66 A 1 ATOM 520 O OG . SER A 1 66 ? 13.983 -1.196 0.244 1.00 34.37 66 A 1 ATOM 521 N N . PRO A 1 67 ? 14.440 -2.634 -3.948 1.00 35.67 67 A 1 ATOM 522 C CA . PRO A 1 67 ? 14.586 -3.694 -4.931 1.00 35.69 67 A 1 ATOM 523 C C . PRO A 1 67 ? 14.577 -5.055 -4.224 1.00 35.83 67 A 1 ATOM 524 O O . PRO A 1 67 ? 15.236 -5.223 -3.194 1.00 34.68 67 A 1 ATOM 525 C CB . PRO A 1 67 ? 15.900 -3.397 -5.671 1.00 33.93 67 A 1 ATOM 526 C CG . PRO A 1 67 ? 16.679 -2.502 -4.708 1.00 33.05 67 A 1 ATOM 527 C CD . PRO A 1 67 ? 15.596 -1.753 -3.945 1.00 34.34 67 A 1 ATOM 528 N N . LEU A 1 68 ? 13.877 -6.038 -4.801 1.00 30.85 68 A 1 ATOM 529 C CA . LEU A 1 68 ? 13.699 -7.421 -4.304 1.00 30.33 68 A 1 ATOM 530 C C . LEU A 1 68 ? 15.010 -8.129 -3.886 1.00 30.63 68 A 1 ATOM 531 O O . LEU A 1 68 ? 14.991 -9.085 -3.112 1.00 28.90 68 A 1 ATOM 532 C CB . LEU A 1 68 ? 13.005 -8.227 -5.423 1.00 28.30 68 A 1 ATOM 533 C CG . LEU A 1 68 ? 11.495 -7.960 -5.558 1.00 26.22 68 A 1 ATOM 534 C CD1 . LEU A 1 68 ? 10.997 -8.330 -6.951 1.00 24.28 68 A 1 ATOM 535 C CD2 . LEU A 1 68 ? 10.712 -8.782 -4.536 1.00 25.02 68 A 1 ATOM 536 N N . ASN A 1 69 ? 16.163 -7.631 -4.343 1.00 29.29 69 A 1 ATOM 537 C CA . ASN A 1 69 ? 17.501 -8.135 -4.022 1.00 29.78 69 A 1 ATOM 538 C C . ASN A 1 69 ? 18.201 -7.373 -2.880 1.00 30.45 69 A 1 ATOM 539 O O . ASN A 1 69 ? 19.395 -7.582 -2.649 1.00 29.41 69 A 1 ATOM 540 C CB . ASN A 1 69 ? 18.333 -8.145 -5.315 1.00 28.30 69 A 1 ATOM 541 C CG . ASN A 1 69 ? 17.794 -9.108 -6.357 1.00 25.84 69 A 1 ATOM 542 O OD1 . ASN A 1 69 ? 17.141 -10.091 -6.066 1.00 23.89 69 A 1 ATOM 543 N ND2 . ASN A 1 69 ? 18.074 -8.870 -7.612 1.00 23.60 69 A 1 ATOM 544 N N . SER A 1 70 ? 17.500 -6.499 -2.147 1.00 31.98 70 A 1 ATOM 545 C CA . SER A 1 70 ? 18.084 -5.822 -0.986 1.00 32.61 70 A 1 ATOM 546 C C . SER A 1 70 ? 18.452 -6.840 0.108 1.00 32.50 70 A 1 ATOM 547 O O . SER A 1 70 ? 17.615 -7.665 0.491 1.00 31.89 70 A 1 ATOM 548 C CB . SER A 1 70 ? 17.125 -4.758 -0.447 1.00 31.93 70 A 1 ATOM 549 O OG . SER A 1 70 ? 17.649 -4.175 0.735 1.00 29.88 70 A 1 ATOM 550 N N . PRO A 1 71 ? 19.661 -6.779 0.695 1.00 29.71 71 A 1 ATOM 551 C CA . PRO A 1 71 ? 20.049 -7.634 1.826 1.00 29.25 71 A 1 ATOM 552 C C . PRO A 1 71 ? 19.114 -7.518 3.041 1.00 30.03 71 A 1 ATOM 553 O O . PRO A 1 71 ? 19.019 -8.447 3.845 1.00 29.18 71 A 1 ATOM 554 C CB . PRO A 1 71 ? 21.470 -7.192 2.197 1.00 27.34 71 A 1 ATOM 555 C CG . PRO A 1 71 ? 22.012 -6.558 0.918 1.00 26.68 71 A 1 ATOM 556 C CD . PRO A 1 71 ? 20.771 -5.942 0.274 1.00 28.40 71 A 1 ATOM 557 N N . ILE A 1 72 ? 18.421 -6.383 3.178 1.00 27.67 72 A 1 ATOM 558 C CA . ILE A 1 72 ? 17.425 -6.129 4.229 1.00 27.36 72 A 1 ATOM 559 C C . ILE A 1 72 ? 16.160 -6.961 3.978 1.00 28.10 72 A 1 ATOM 560 O O . ILE A 1 72 ? 15.589 -7.512 4.923 1.00 27.38 72 A 1 ATOM 561 C CB . ILE A 1 72 ? 17.125 -4.612 4.307 1.00 25.82 72 A 1 ATOM 562 C CG1 . ILE A 1 72 ? 18.416 -3.835 4.681 1.00 23.52 72 A 1 ATOM 563 C CG2 . ILE A 1 72 ? 16.005 -4.320 5.319 1.00 23.77 72 A 1 ATOM 564 C CD1 . ILE A 1 72 ? 18.283 -2.308 4.608 1.00 22.23 72 A 1 ATOM 565 N N . PHE A 1 73 ? 15.778 -7.128 2.713 1.00 26.19 73 A 1 ATOM 566 C CA . PHE A 1 73 ? 14.646 -7.940 2.279 1.00 26.19 73 A 1 ATOM 567 C C . PHE A 1 73 ? 14.878 -9.427 2.594 1.00 26.54 73 A 1 ATOM 568 O O . PHE A 1 73 ? 14.076 -10.050 3.290 1.00 26.05 73 A 1 ATOM 569 C CB . PHE A 1 73 ? 14.427 -7.688 0.782 1.00 25.42 73 A 1 ATOM 570 C CG . PHE A 1 73 ? 13.182 -8.336 0.227 1.00 23.77 73 A 1 ATOM 571 C CD1 . PHE A 1 73 ? 13.247 -9.594 -0.400 1.00 22.50 73 A 1 ATOM 572 C CD2 . PHE A 1 73 ? 11.951 -7.663 0.337 1.00 22.69 73 A 1 ATOM 573 C CE1 . PHE A 1 73 ? 12.080 -10.177 -0.916 1.00 21.76 73 A 1 ATOM 574 C CE2 . PHE A 1 73 ? 10.789 -8.249 -0.181 1.00 22.03 73 A 1 ATOM 575 C CZ . PHE A 1 73 ? 10.854 -9.507 -0.807 1.00 22.09 73 A 1 ATOM 576 N N . LEU A 1 74 ? 16.047 -9.963 2.227 1.00 25.18 74 A 1 ATOM 577 C CA . LEU A 1 74 ? 16.401 -11.367 2.482 1.00 24.66 74 A 1 ATOM 578 C C . LEU A 1 74 ? 16.492 -11.709 3.982 1.00 25.32 74 A 1 ATOM 579 O O . LEU A 1 74 ? 16.090 -12.798 4.392 1.00 24.58 74 A 1 ATOM 580 C CB . LEU A 1 74 ? 17.727 -11.683 1.762 1.00 23.25 74 A 1 ATOM 581 C CG . LEU A 1 74 ? 17.627 -11.689 0.226 1.00 21.14 74 A 1 ATOM 582 C CD1 . LEU A 1 74 ? 19.027 -11.795 -0.376 1.00 19.63 74 A 1 ATOM 583 C CD2 . LEU A 1 74 ? 16.798 -12.867 -0.289 1.00 19.85 74 A 1 ATOM 584 N N . ARG A 1 75 ? 16.960 -10.768 4.825 1.00 25.54 75 A 1 ATOM 585 C CA . ARG A 1 75 ? 17.016 -10.968 6.287 1.00 25.62 75 A 1 ATOM 586 C C . ARG A 1 75 ? 15.640 -10.990 6.957 1.00 26.10 75 A 1 ATOM 587 O O . ARG A 1 75 ? 15.475 -11.713 7.933 1.00 25.27 75 A 1 ATOM 588 C CB . ARG A 1 75 ? 17.894 -9.895 6.954 1.00 24.35 75 A 1 ATOM 589 C CG . ARG A 1 75 ? 19.353 -10.340 7.065 1.00 22.16 75 A 1 ATOM 590 C CD . ARG A 1 75 ? 20.151 -9.302 7.860 1.00 20.74 75 A 1 ATOM 591 N NE . ARG A 1 75 ? 21.541 -9.728 8.062 1.00 19.02 75 A 1 ATOM 592 C CZ . ARG A 1 75 ? 22.447 -9.124 8.814 1.00 17.93 75 A 1 ATOM 593 N NH1 . ARG A 1 75 ? 22.174 -8.034 9.478 1.00 17.67 75 A 1 ATOM 594 N NH2 . ARG A 1 75 ? 23.655 -9.606 8.912 1.00 17.44 75 A 1 ATOM 595 N N . ARG A 1 76 ? 14.684 -10.201 6.479 1.00 26.80 76 A 1 ATOM 596 C CA . ARG A 1 76 ? 13.319 -10.190 7.037 1.00 26.75 76 A 1 ATOM 597 C C . ARG A 1 76 ? 12.495 -11.388 6.559 1.00 26.83 76 A 1 ATOM 598 O O . ARG A 1 76 ? 11.750 -11.952 7.354 1.00 26.12 76 A 1 ATOM 599 C CB . ARG A 1 76 ? 12.620 -8.855 6.731 1.00 25.38 76 A 1 ATOM 600 C CG . ARG A 1 76 ? 13.128 -7.729 7.647 1.00 23.24 76 A 1 ATOM 601 C CD . ARG A 1 76 ? 12.319 -6.445 7.407 1.00 22.07 76 A 1 ATOM 602 N NE . ARG A 1 76 ? 12.676 -5.368 8.349 1.00 20.61 76 A 1 ATOM 603 C CZ . ARG A 1 76 ? 12.086 -4.184 8.429 1.00 19.29 76 A 1 ATOM 604 N NH1 . ARG A 1 76 ? 11.105 -3.845 7.636 1.00 19.02 76 A 1 ATOM 605 N NH2 . ARG A 1 76 ? 12.470 -3.308 9.309 1.00 19.04 76 A 1 ATOM 606 N N . PHE A 1 77 ? 12.713 -11.836 5.336 1.00 25.00 77 A 1 ATOM 607 C CA . PHE A 1 77 ? 12.040 -13.012 4.780 1.00 24.79 77 A 1 ATOM 608 C C . PHE A 1 77 ? 12.417 -14.317 5.493 1.00 25.03 77 A 1 ATOM 609 O O . PHE A 1 77 ? 11.550 -15.149 5.742 1.00 24.10 77 A 1 ATOM 610 C CB . PHE A 1 77 ? 12.315 -13.102 3.272 1.00 23.50 77 A 1 ATOM 611 C CG . PHE A 1 77 ? 11.030 -13.155 2.474 1.00 21.91 77 A 1 ATOM 612 C CD1 . PHE A 1 77 ? 10.432 -14.390 2.170 1.00 20.55 77 A 1 ATOM 613 C CD2 . PHE A 1 77 ? 10.410 -11.959 2.077 1.00 20.56 77 A 1 ATOM 614 C CE1 . PHE A 1 77 ? 9.212 -14.427 1.470 1.00 19.85 77 A 1 ATOM 615 C CE2 . PHE A 1 77 ? 9.190 -11.999 1.377 1.00 20.26 77 A 1 ATOM 616 C CZ . PHE A 1 77 ? 8.591 -13.233 1.073 1.00 20.42 77 A 1 ATOM 617 N N . SER A 1 78 ? 13.681 -14.477 5.921 1.00 25.77 78 A 1 ATOM 618 C CA . SER A 1 78 ? 14.092 -15.668 6.687 1.00 25.41 78 A 1 ATOM 619 C C . SER A 1 78 ? 13.472 -15.754 8.090 1.00 26.00 78 A 1 ATOM 620 O O . SER A 1 78 ? 13.509 -16.816 8.709 1.00 24.98 78 A 1 ATOM 621 C CB . SER A 1 78 ? 15.621 -15.748 6.778 1.00 23.61 78 A 1 ATOM 622 O OG . SER A 1 78 ? 16.163 -14.730 7.596 1.00 21.57 78 A 1 ATOM 623 N N . ALA A 1 79 ? 12.914 -14.652 8.604 1.00 24.20 79 A 1 ATOM 624 C CA . ALA A 1 79 ? 12.262 -14.595 9.914 1.00 23.87 79 A 1 ATOM 625 C C . ALA A 1 79 ? 10.736 -14.825 9.851 1.00 24.73 79 A 1 ATOM 626 O O . ALA A 1 79 ? 10.130 -15.148 10.869 1.00 23.82 79 A 1 ATOM 627 C CB . ALA A 1 79 ? 12.623 -13.256 10.565 1.00 22.00 79 A 1 ATOM 628 N N . CYS A 1 80 ? 10.122 -14.689 8.686 1.00 25.28 80 A 1 ATOM 629 C CA . CYS A 1 80 ? 8.693 -14.903 8.482 1.00 25.61 80 A 1 ATOM 630 C C . CYS A 1 80 ? 8.450 -16.232 7.756 1.00 26.30 80 A 1 ATOM 631 O O . CYS A 1 80 ? 8.202 -16.267 6.557 1.00 25.61 80 A 1 ATOM 632 C CB . CYS A 1 80 ? 8.092 -13.693 7.751 1.00 24.12 80 A 1 ATOM 633 S SG . CYS A 1 80 ? 7.999 -12.270 8.873 1.00 21.97 80 A 1 ATOM 634 N N . SER A 1 81 ? 8.473 -17.334 8.506 1.00 26.50 81 A 1 ATOM 635 C CA . SER A 1 81 ? 7.977 -18.630 8.038 1.00 26.50 81 A 1 ATOM 636 C C . SER A 1 81 ? 6.443 -18.656 8.029 1.00 27.45 81 A 1 ATOM 637 O O . SER A 1 81 ? 5.822 -19.466 8.714 1.00 26.14 81 A 1 ATOM 638 C CB . SER A 1 81 ? 8.571 -19.757 8.894 1.00 24.47 81 A 1 ATOM 639 O OG . SER A 1 81 ? 8.186 -19.591 10.242 1.00 22.18 81 A 1 ATOM 640 N N . VAL A 1 82 ? 5.814 -17.717 7.327 1.00 27.98 82 A 1 ATOM 641 C CA . VAL A 1 82 ? 4.369 -17.733 7.070 1.00 28.28 82 A 1 ATOM 642 C C . VAL A 1 82 ? 4.186 -18.249 5.649 1.00 28.95 82 A 1 ATOM 643 O O . VAL A 1 82 ? 4.772 -17.708 4.714 1.00 28.32 82 A 1 ATOM 644 C CB . VAL A 1 82 ? 3.714 -16.359 7.302 1.00 26.88 82 A 1 ATOM 645 C CG1 . VAL A 1 82 ? 2.191 -16.457 7.178 1.00 24.67 82 A 1 ATOM 646 C CG2 . VAL A 1 82 ? 4.032 -15.823 8.708 1.00 24.72 82 A 1 ATOM 647 N N . GLY A 1 83 ? 3.467 -19.353 5.517 1.00 31.38 83 A 1 ATOM 648 C CA . GLY A 1 83 ? 3.311 -20.052 4.246 1.00 31.01 83 A 1 ATOM 649 C C . GLY A 1 83 ? 2.759 -19.128 3.158 1.00 32.02 83 A 1 ATOM 650 O O . GLY A 1 83 ? 1.759 -18.445 3.357 1.00 30.82 83 A 1 ATOM 651 N N . PHE A 1 84 ? 3.416 -19.122 1.997 1.00 30.86 84 A 1 ATOM 652 C CA . PHE A 1 84 ? 3.064 -18.322 0.813 1.00 30.98 84 A 1 ATOM 653 C C . PHE A 1 84 ? 1.604 -18.479 0.348 1.00 32.10 84 A 1 ATOM 654 O O . PHE A 1 84 ? 1.104 -17.624 -0.375 1.00 31.22 84 A 1 ATOM 655 C CB . PHE A 1 84 ? 4.021 -18.704 -0.325 1.00 29.21 84 A 1 ATOM 656 C CG . PHE A 1 84 ? 5.266 -17.843 -0.420 1.00 27.23 84 A 1 ATOM 657 C CD1 . PHE A 1 84 ? 5.276 -16.755 -1.319 1.00 25.08 84 A 1 ATOM 658 C CD2 . PHE A 1 84 ? 6.405 -18.120 0.351 1.00 25.59 84 A 1 ATOM 659 C CE1 . PHE A 1 84 ? 6.429 -15.963 -1.455 1.00 23.90 84 A 1 ATOM 660 C CE2 . PHE A 1 84 ? 7.557 -17.325 0.218 1.00 24.37 84 A 1 ATOM 661 C CZ . PHE A 1 84 ? 7.573 -16.250 -0.693 1.00 24.67 84 A 1 ATOM 662 N N . GLU A 1 85 ? 0.912 -19.535 0.777 1.00 33.27 85 A 1 ATOM 663 C CA . GLU A 1 85 ? -0.470 -19.839 0.387 1.00 34.06 85 A 1 ATOM 664 C C . GLU A 1 85 ? -1.527 -18.972 1.100 1.00 35.22 85 A 1 ATOM 665 O O . GLU A 1 85 ? -2.655 -18.867 0.626 1.00 33.80 85 A 1 ATOM 666 C CB . GLU A 1 85 ? -0.737 -21.334 0.620 1.00 32.55 85 A 1 ATOM 667 C CG . GLU A 1 85 ? 0.161 -22.221 -0.266 1.00 28.99 85 A 1 ATOM 668 C CD . GLU A 1 85 ? -0.181 -23.717 -0.183 1.00 26.74 85 A 1 ATOM 669 O OE1 . GLU A 1 85 ? 0.285 -24.451 -1.084 1.00 24.81 85 A 1 ATOM 670 O OE2 . GLU A 1 85 ? -0.877 -24.125 0.774 1.00 25.54 85 A 1 ATOM 671 N N . GLU A 1 86 ? -1.181 -18.302 2.213 1.00 35.75 86 A 1 ATOM 672 C CA . GLU A 1 86 ? -2.139 -17.502 2.997 1.00 36.81 86 A 1 ATOM 673 C C . GLU A 1 86 ? -2.214 -16.029 2.564 1.00 37.86 86 A 1 ATOM 674 O O . GLU A 1 86 ? -3.208 -15.348 2.849 1.00 36.64 86 A 1 ATOM 675 C CB . GLU A 1 86 ? -1.822 -17.623 4.494 1.00 35.21 86 A 1 ATOM 676 C CG . GLU A 1 86 ? -2.050 -19.055 5.015 1.00 31.59 86 A 1 ATOM 677 C CD . GLU A 1 86 ? -1.936 -19.170 6.544 1.00 29.55 86 A 1 ATOM 678 O OE1 . GLU A 1 86 ? -2.310 -20.246 7.066 1.00 28.10 86 A 1 ATOM 679 O OE2 . GLU A 1 86 ? -1.500 -18.189 7.192 1.00 28.32 86 A 1 ATOM 680 N N . ILE A 1 87 ? -1.214 -15.523 1.844 1.00 38.61 87 A 1 ATOM 681 C CA . ILE A 1 87 ? -1.125 -14.118 1.409 1.00 38.75 87 A 1 ATOM 682 C C . ILE A 1 87 ? -2.280 -13.725 0.466 1.00 39.26 87 A 1 ATOM 683 O O . ILE A 1 87 ? -2.946 -12.725 0.749 1.00 38.18 87 A 1 ATOM 684 C CB . ILE A 1 87 ? 0.280 -13.802 0.835 1.00 37.16 87 A 1 ATOM 685 C CG1 . ILE A 1 87 ? 1.366 -14.049 1.910 1.00 34.67 87 A 1 ATOM 686 C CG2 . ILE A 1 87 ? 0.341 -12.355 0.316 1.00 34.17 87 A 1 ATOM 687 C CD1 . ILE A 1 87 ? 2.807 -13.879 1.417 1.00 32.82 87 A 1 ATOM 688 N N . PRO A 1 88 ? -2.638 -14.501 -0.574 1.00 41.45 88 A 1 ATOM 689 C CA . PRO A 1 88 ? -3.781 -14.177 -1.436 1.00 41.61 88 A 1 ATOM 690 C C . PRO A 1 88 ? -5.110 -14.143 -0.676 1.00 42.80 88 A 1 ATOM 691 O O . PRO A 1 88 ? -5.977 -13.314 -0.952 1.00 41.73 88 A 1 ATOM 692 C CB . PRO A 1 88 ? -3.802 -15.262 -2.523 1.00 39.27 88 A 1 ATOM 693 C CG . PRO A 1 88 ? -2.377 -15.799 -2.536 1.00 37.72 88 A 1 ATOM 694 C CD . PRO A 1 88 ? -1.949 -15.675 -1.079 1.00 38.91 88 A 1 ATOM 695 N N . THR A 1 89 ? -5.265 -15.018 0.324 1.00 44.20 89 A 1 ATOM 696 C CA . THR A 1 89 ? -6.476 -15.113 1.147 1.00 45.56 89 A 1 ATOM 697 C C . THR A 1 89 ? -6.596 -13.924 2.108 1.00 45.75 89 A 1 ATOM 698 O O . THR A 1 89 ? -7.690 -13.394 2.309 1.00 44.91 89 A 1 ATOM 699 C CB . THR A 1 89 ? -6.484 -16.434 1.930 1.00 44.74 89 A 1 ATOM 700 O OG1 . THR A 1 89 ? -6.235 -17.517 1.060 1.00 40.82 89 A 1 ATOM 701 C CG2 . THR A 1 89 ? -7.839 -16.703 2.580 1.00 40.39 89 A 1 ATOM 702 N N . ALA A 1 90 ? -5.480 -13.460 2.673 1.00 43.92 90 A 1 ATOM 703 C CA . ALA A 1 90 ? -5.427 -12.253 3.493 1.00 44.06 90 A 1 ATOM 704 C C . ALA A 1 90 ? -5.760 -10.997 2.668 1.00 44.64 90 A 1 ATOM 705 O O . ALA A 1 90 ? -6.597 -10.194 3.086 1.00 43.75 90 A 1 ATOM 706 C CB . ALA A 1 90 ? -4.046 -12.175 4.153 1.00 41.62 90 A 1 ATOM 707 N N . LEU A 1 91 ? -5.209 -10.884 1.456 1.00 45.36 91 A 1 ATOM 708 C CA . LEU A 1 91 ? -5.489 -9.788 0.523 1.00 45.75 91 A 1 ATOM 709 C C . LEU A 1 91 ? -6.959 -9.774 0.071 1.00 46.12 91 A 1 ATOM 710 O O . LEU A 1 91 ? -7.593 -8.719 0.043 1.00 45.60 91 A 1 ATOM 711 C CB . LEU A 1 91 ? -4.542 -9.914 -0.683 1.00 44.10 91 A 1 ATOM 712 C CG . LEU A 1 91 ? -3.063 -9.634 -0.363 1.00 41.39 91 A 1 ATOM 713 C CD1 . LEU A 1 91 ? -2.192 -10.016 -1.558 1.00 39.23 91 A 1 ATOM 714 C CD2 . LEU A 1 91 ? -2.824 -8.163 -0.042 1.00 38.73 91 A 1 ATOM 715 N N . GLN A 1 92 ? -7.560 -10.939 -0.202 1.00 46.15 92 A 1 ATOM 716 C CA . GLN A 1 92 ? -8.993 -11.047 -0.508 1.00 46.83 92 A 1 ATOM 717 C C . GLN A 1 92 ? -9.879 -10.643 0.676 1.00 47.01 92 A 1 ATOM 718 O O . GLN A 1 92 ? -10.903 -9.984 0.468 1.00 45.86 92 A 1 ATOM 719 C CB . GLN A 1 92 ? -9.342 -12.474 -0.947 1.00 45.81 92 A 1 ATOM 720 C CG . GLN A 1 92 ? -8.987 -12.725 -2.421 1.00 41.34 92 A 1 ATOM 721 C CD . GLN A 1 92 ? -9.379 -14.127 -2.879 1.00 38.73 92 A 1 ATOM 722 O OE1 . GLN A 1 92 ? -9.723 -15.010 -2.105 1.00 37.26 92 A 1 ATOM 723 N NE2 . GLN A 1 92 ? -9.361 -14.391 -4.165 1.00 35.67 92 A 1 ATOM 724 N N . ARG A 1 93 ? -9.501 -10.981 1.916 1.00 45.94 93 A 1 ATOM 725 C CA . ARG A 1 93 ? -10.232 -10.568 3.124 1.00 46.40 93 A 1 ATOM 726 C C . ARG A 1 93 ? -10.159 -9.061 3.358 1.00 45.90 93 A 1 ATOM 727 O O . ARG A 1 93 ? -11.186 -8.458 3.659 1.00 45.13 93 A 1 ATOM 728 C CB . ARG A 1 93 ? -9.717 -11.324 4.357 1.00 44.72 93 A 1 ATOM 729 C CG . ARG A 1 93 ? -10.367 -12.708 4.480 1.00 39.87 93 A 1 ATOM 730 C CD . ARG A 1 93 ? -9.817 -13.422 5.717 1.00 37.92 93 A 1 ATOM 731 N NE . ARG A 1 93 ? -10.539 -14.675 5.986 1.00 35.90 93 A 1 ATOM 732 C CZ . ARG A 1 93 ? -10.290 -15.517 6.973 1.00 32.46 93 A 1 ATOM 733 N NH1 . ARG A 1 93 ? -9.324 -15.311 7.828 1.00 31.96 93 A 1 ATOM 734 N NH2 . ARG A 1 93 ? -11.012 -16.593 7.122 1.00 31.26 93 A 1 ATOM 735 N N . ILE A 1 94 ? -8.994 -8.449 3.189 1.00 44.50 94 A 1 ATOM 736 C CA . ILE A 1 94 ? -8.837 -6.992 3.325 1.00 44.12 94 A 1 ATOM 737 C C . ILE A 1 94 ? -9.668 -6.273 2.253 1.00 44.06 94 A 1 ATOM 738 O O . ILE A 1 94 ? -10.431 -5.357 2.576 1.00 43.16 94 A 1 ATOM 739 C CB . ILE A 1 94 ? -7.340 -6.615 3.292 1.00 42.23 94 A 1 ATOM 740 C CG1 . ILE A 1 94 ? -6.640 -7.177 4.554 1.00 38.95 94 A 1 ATOM 741 C CG2 . ILE A 1 94 ? -7.163 -5.089 3.221 1.00 38.18 94 A 1 ATOM 742 C CD1 . ILE A 1 94 ? -5.111 -7.133 4.487 1.00 36.73 94 A 1 ATOM 743 N N . ARG A 1 95 ? -9.635 -6.758 1.008 1.00 44.46 95 A 1 ATOM 744 C CA . ARG A 1 95 ? -10.479 -6.254 -0.080 1.00 45.08 95 A 1 ATOM 745 C C . ARG A 1 95 ? -11.967 -6.362 0.253 1.00 45.28 95 A 1 ATOM 746 O O . ARG A 1 95 ? -12.682 -5.383 0.081 1.00 44.52 95 A 1 ATOM 747 C CB . ARG A 1 95 ? -10.110 -6.996 -1.375 1.00 43.42 95 A 1 ATOM 748 C CG . ARG A 1 95 ? -10.817 -6.413 -2.608 1.00 39.72 95 A 1 ATOM 749 C CD . ARG A 1 95 ? -10.366 -7.157 -3.869 1.00 38.24 95 A 1 ATOM 750 N NE . ARG A 1 95 ? -11.058 -6.655 -5.069 1.00 36.76 95 A 1 ATOM 751 C CZ . ARG A 1 95 ? -10.935 -7.117 -6.300 1.00 33.85 95 A 1 ATOM 752 N NH1 . ARG A 1 95 ? -10.148 -8.114 -6.584 1.00 32.81 95 A 1 ATOM 753 N NH2 . ARG A 1 95 ? -11.610 -6.579 -7.276 1.00 32.38 95 A 1 ATOM 754 N N . SER A 1 96 ? -12.439 -7.493 0.782 1.00 47.23 96 A 1 ATOM 755 C CA . SER A 1 96 ? -13.857 -7.670 1.123 1.00 47.82 96 A 1 ATOM 756 C C . SER A 1 96 ? -14.318 -6.774 2.275 1.00 47.41 96 A 1 ATOM 757 O O . SER A 1 96 ? -15.413 -6.217 2.204 1.00 46.61 96 A 1 ATOM 758 C CB . SER A 1 96 ? -14.177 -9.141 1.420 1.00 46.83 96 A 1 ATOM 759 O OG . SER A 1 96 ? -13.550 -9.616 2.593 1.00 42.31 96 A 1 ATOM 760 N N . VAL A 1 97 ? -13.482 -6.566 3.293 1.00 45.38 97 A 1 ATOM 761 C CA . VAL A 1 97 ? -13.787 -5.683 4.438 1.00 45.38 97 A 1 ATOM 762 C C . VAL A 1 97 ? -13.831 -4.213 4.011 1.00 45.94 97 A 1 ATOM 763 O O . VAL A 1 97 ? -14.693 -3.466 4.473 1.00 44.47 97 A 1 ATOM 764 C CB . VAL A 1 97 ? -12.767 -5.913 5.572 1.00 42.54 97 A 1 ATOM 765 C CG1 . VAL A 1 97 ? -12.891 -4.887 6.710 1.00 37.89 97 A 1 ATOM 766 C CG2 . VAL A 1 97 ? -12.960 -7.301 6.200 1.00 37.21 97 A 1 ATOM 767 N N . TYR A 1 98 ? -12.946 -3.794 3.106 1.00 42.06 98 A 1 ATOM 768 C CA . TYR A 1 98 ? -12.933 -2.428 2.585 1.00 42.83 98 A 1 ATOM 769 C C . TYR A 1 98 ? -14.085 -2.153 1.618 1.00 43.70 98 A 1 ATOM 770 O O . TYR A 1 98 ? -14.722 -1.106 1.716 1.00 43.11 98 A 1 ATOM 771 C CB . TYR A 1 98 ? -11.576 -2.132 1.935 1.00 40.77 98 A 1 ATOM 772 C CG . TYR A 1 98 ? -10.730 -1.191 2.768 1.00 37.35 98 A 1 ATOM 773 C CD1 . TYR A 1 98 ? -10.829 0.195 2.546 1.00 34.54 98 A 1 ATOM 774 C CD2 . TYR A 1 98 ? -9.873 -1.690 3.766 1.00 34.42 98 A 1 ATOM 775 C CE1 . TYR A 1 98 ? -10.051 1.086 3.301 1.00 31.62 98 A 1 ATOM 776 C CE2 . TYR A 1 98 ? -9.092 -0.800 4.526 1.00 31.19 98 A 1 ATOM 777 C CZ . TYR A 1 98 ? -9.174 0.593 4.283 1.00 30.90 98 A 1 ATOM 778 O OH . TYR A 1 98 ? -8.400 1.465 4.982 1.00 29.67 98 A 1 ATOM 779 N N . THR A 1 99 ? -14.411 -3.097 0.732 1.00 45.57 99 A 1 ATOM 780 C CA . THR A 1 99 ? -15.557 -2.956 -0.181 1.00 46.80 99 A 1 ATOM 781 C C . THR A 1 99 ? -16.879 -2.916 0.590 1.00 46.85 99 A 1 ATOM 782 O O . THR A 1 99 ? -17.757 -2.143 0.230 1.00 46.22 99 A 1 ATOM 783 C CB . THR A 1 99 ? -15.580 -4.088 -1.224 1.00 45.77 99 A 1 ATOM 784 O OG1 . THR A 1 99 ? -14.345 -4.172 -1.900 1.00 41.47 99 A 1 ATOM 785 C CG2 . THR A 1 99 ? -16.630 -3.872 -2.316 1.00 40.86 99 A 1 ATOM 786 N N . ALA A 1 100 ? -17.016 -3.688 1.680 1.00 52.04 100 A 1 ATOM 787 C CA . ALA A 1 100 ? -18.217 -3.656 2.518 1.00 52.80 100 A 1 ATOM 788 C C . ALA A 1 100 ? -18.398 -2.308 3.236 1.00 51.96 100 A 1 ATOM 789 O O . ALA A 1 100 ? -19.504 -1.778 3.249 1.00 50.61 100 A 1 ATOM 790 C CB . ALA A 1 100 ? -18.162 -4.822 3.509 1.00 52.00 100 A 1 ATOM 791 N N . LYS A 1 101 ? -17.320 -1.709 3.760 1.00 45.30 101 A 1 ATOM 792 C CA . LYS A 1 101 ? -17.388 -0.398 4.429 1.00 46.34 101 A 1 ATOM 793 C C . LYS A 1 101 ? -17.687 0.765 3.486 1.00 46.31 101 A 1 ATOM 794 O O . LYS A 1 101 ? -18.370 1.694 3.896 1.00 45.31 101 A 1 ATOM 795 C CB . LYS A 1 101 ? -16.093 -0.119 5.191 1.00 44.37 101 A 1 ATOM 796 C CG . LYS A 1 101 ? -16.160 -0.730 6.589 1.00 39.04 101 A 1 ATOM 797 C CD . LYS A 1 101 ? -14.939 -0.284 7.395 1.00 36.16 101 A 1 ATOM 798 C CE . LYS A 1 101 ? -15.146 -0.711 8.842 1.00 32.87 101 A 1 ATOM 799 N NZ . LYS A 1 101 ? -14.073 -0.173 9.700 1.00 29.97 101 A 1 ATOM 800 N N . LEU A 1 102 ? -17.208 0.711 2.248 1.00 45.84 102 A 1 ATOM 801 C CA . LEU A 1 102 ? -17.521 1.725 1.234 1.00 46.97 102 A 1 ATOM 802 C C . LEU A 1 102 ? -18.990 1.673 0.783 1.00 47.56 102 A 1 ATOM 803 O O . LEU A 1 102 ? -19.501 2.682 0.316 1.00 46.41 102 A 1 ATOM 804 C CB . LEU A 1 102 ? -16.572 1.540 0.034 1.00 44.68 102 A 1 ATOM 805 C CG . LEU A 1 102 ? -15.152 2.088 0.270 1.00 39.71 102 A 1 ATOM 806 C CD1 . LEU A 1 102 ? -14.200 1.550 -0.800 1.00 36.55 102 A 1 ATOM 807 C CD2 . LEU A 1 102 ? -15.111 3.618 0.206 1.00 36.77 102 A 1 ATOM 808 N N . LEU A 1 103 ? -19.662 0.524 0.920 1.00 51.36 103 A 1 ATOM 809 C CA . LEU A 1 103 ? -21.083 0.351 0.593 1.00 53.73 103 A 1 ATOM 810 C C . LEU A 1 103 ? -22.026 0.670 1.771 1.00 53.28 103 A 1 ATOM 811 O O . LEU A 1 103 ? -23.222 0.812 1.548 1.00 51.56 103 A 1 ATOM 812 C CB . LEU A 1 103 ? -21.304 -1.091 0.096 1.00 53.04 103 A 1 ATOM 813 C CG . LEU A 1 103 ? -20.685 -1.401 -1.281 1.00 48.83 103 A 1 ATOM 814 C CD1 . LEU A 1 103 ? -20.718 -2.916 -1.532 1.00 45.29 103 A 1 ATOM 815 C CD2 . LEU A 1 103 ? -21.451 -0.726 -2.422 1.00 47.22 103 A 1 ATOM 816 N N . GLU A 1 104 ? -21.519 0.756 3.003 1.00 54.52 104 A 1 ATOM 817 C CA . GLU A 1 104 ? -22.310 1.114 4.197 1.00 58.11 104 A 1 ATOM 818 C C . GLU A 1 104 ? -22.416 2.637 4.422 1.00 57.60 104 A 1 ATOM 819 O O . GLU A 1 104 ? -23.260 3.064 5.213 1.00 55.58 104 A 1 ATOM 820 C CB . GLU A 1 104 ? -21.744 0.406 5.445 1.00 57.64 104 A 1 ATOM 821 C CG . GLU A 1 104 ? -22.146 -1.079 5.524 1.00 51.66 104 A 1 ATOM 822 C CD . GLU A 1 104 ? -21.608 -1.822 6.770 1.00 48.29 104 A 1 ATOM 823 O OE1 . GLU A 1 104 ? -22.079 -2.960 7.017 1.00 45.63 104 A 1 ATOM 824 O OE2 . GLU A 1 104 ? -20.723 -1.292 7.486 1.00 47.41 104 A 1 ATOM 825 N N . ASP A 1 105 ? -21.607 3.444 3.731 1.00 51.35 105 A 1 ATOM 826 C CA . ASP A 1 105 ? -21.593 4.914 3.823 1.00 53.89 105 A 1 ATOM 827 C C . ASP A 1 105 ? -22.355 5.612 2.661 1.00 52.79 105 A 1 ATOM 828 O O . ASP A 1 105 ? -22.226 6.830 2.492 1.00 51.40 105 A 1 ATOM 829 C CB . ASP A 1 105 ? -20.140 5.421 3.995 1.00 52.85 105 A 1 ATOM 830 C CG . ASP A 1 105 ? -19.536 5.294 5.414 1.00 48.35 105 A 1 ATOM 831 O OD1 . ASP A 1 105 ? -20.281 5.331 6.421 1.00 46.10 105 A 1 ATOM 832 O OD2 . ASP A 1 105 ? -18.281 5.273 5.517 1.00 45.31 105 A 1 ATOM 833 N N . GLU A 1 106 ? -23.159 4.872 1.858 1.00 56.59 106 A 1 ATOM 834 C CA . GLU A 1 106 ? -24.166 5.406 0.911 1.00 59.64 106 A 1 ATOM 835 C C . GLU A 1 106 ? -25.592 5.415 1.498 1.00 55.82 106 A 1 ATOM 836 O O . GLU A 1 106 ? -26.017 4.383 2.070 1.00 51.87 106 A 1 ATOM 837 C CB . GLU A 1 106 ? -24.148 4.681 -0.453 1.00 55.93 106 A 1 ATOM 838 C CG . GLU A 1 106 ? -23.052 5.189 -1.426 1.00 49.47 106 A 1 ATOM 839 C CD . GLU A 1 106 ? -23.235 4.700 -2.891 1.00 46.15 106 A 1 ATOM 840 O OE1 . GLU A 1 106 ? -22.830 5.447 -3.822 1.00 44.90 106 A 1 ATOM 841 O OE2 . GLU A 1 106 ? -23.784 3.592 -3.121 1.00 47.04 106 A 1 ATOM 842 O OXT . GLU A 1 106 ? -26.249 6.466 1.357 1.00 51.63 106 A 1 #