# 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_ipii # _entry.id ipii # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "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 LYS 2 1 n THR 3 1 n TYR 4 1 n GLN 5 1 n GLU 6 1 n PHE 7 1 n ILE 8 1 n ALA 9 1 n GLU 10 1 n ALA 11 1 n ARG 12 1 n VAL 13 1 n GLY 14 1 n ALA 15 1 n GLY 16 1 n LYS 17 1 n LEU 18 1 n GLU 19 1 n ALA 20 1 n ALA 21 1 n VAL 22 1 n ASN 23 1 n LYS 24 1 n LYS 25 1 n ALA 26 1 n HIS 27 1 n SER 28 1 n PHE 29 1 n HIS 30 1 n ASP 31 1 n LEU 32 1 n PRO 33 1 n ASP 34 1 n LYS 35 1 n ASP 36 1 n ARG 37 1 n LYS 38 1 n LYS 39 1 n LEU 40 1 n VAL 41 1 n SER 42 1 n LEU 43 1 n TYR 44 1 n ILE 45 1 n ASP 46 1 n ARG 47 1 n GLU 48 1 n ARG 49 1 n ILE 50 1 n LEU 51 1 n ALA 52 1 n LEU 53 1 n PRO 54 1 n GLY 55 1 n ALA 56 1 n ASN 57 1 n GLU 58 1 n GLY 59 1 n LYS 60 1 n GLN 61 1 n ALA 62 1 n LYS 63 1 n PRO 64 1 n LEU 65 1 n ASN 66 1 n ALA 67 1 n VAL 68 1 n GLU 69 1 n LYS 70 1 n LYS 71 1 n ILE 72 1 n ASP 73 1 n ASN 74 1 n PHE 75 1 n ALA 76 1 n SER 77 1 n LYS 78 1 n PHE 79 1 n GLY 80 1 n MET 81 1 n SER 82 1 n MET 83 1 n ASP 84 1 n ASP 85 1 n LEU 86 1 n GLN 87 1 n GLN 88 1 n ALA 89 1 n ALA 90 1 n ILE 91 1 n GLU 92 1 n ALA 93 1 n ALA 94 1 n LYS 95 1 n ALA 96 1 n ILE 97 1 n LYS 98 1 n ASP 99 1 n LYS 100 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-07 01:28:50)" _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 86.11 _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 78.65 1 1 A LYS 2 2 81.05 1 2 A THR 3 2 86.67 1 3 A TYR 4 2 78.50 1 4 A GLN 5 2 79.33 1 5 A GLU 6 2 80.75 1 6 A PHE 7 2 76.61 1 7 A ILE 8 2 83.52 1 8 A ALA 9 2 79.95 1 9 A GLU 10 2 76.41 1 10 A ALA 11 2 82.61 1 11 A ARG 12 2 69.10 1 12 A VAL 13 2 75.68 1 13 A GLY 14 2 79.08 1 14 A ALA 15 2 79.87 1 15 A GLY 16 2 73.78 1 16 A LYS 17 2 69.79 1 17 A LEU 18 2 71.48 1 18 A GLU 19 2 67.95 1 19 A ALA 20 2 69.51 1 20 A ALA 21 2 69.58 1 21 A VAL 22 2 70.61 1 22 A ASN 23 2 66.86 1 23 A LYS 24 2 63.34 1 24 A LYS 25 2 66.04 1 25 A ALA 26 2 83.61 1 26 A HIS 27 2 83.17 1 27 A SER 28 2 89.70 1 28 A PHE 29 2 93.34 1 29 A HIS 30 2 85.85 1 30 A ASP 31 2 87.44 1 31 A LEU 32 2 93.32 1 32 A PRO 33 2 94.02 1 33 A ASP 34 2 90.15 1 34 A LYS 35 2 88.76 1 35 A ASP 36 2 94.41 1 36 A ARG 37 2 86.26 1 37 A LYS 38 2 90.96 1 38 A LYS 39 2 89.56 1 39 A LEU 40 2 96.46 1 40 A VAL 41 2 96.49 1 41 A SER 42 2 94.46 1 42 A LEU 43 2 96.97 1 43 A TYR 44 2 96.47 1 44 A ILE 45 2 95.93 1 45 A ASP 46 2 92.81 1 46 A ARG 47 2 90.28 1 47 A GLU 48 2 87.59 1 48 A ARG 49 2 80.55 1 49 A ILE 50 2 94.27 1 50 A LEU 51 2 91.87 1 51 A ALA 52 2 92.52 1 52 A LEU 53 2 91.40 1 53 A PRO 54 2 90.80 1 54 A GLY 55 2 88.48 1 55 A ALA 56 2 85.65 1 56 A ASN 57 2 80.96 1 57 A GLU 58 2 83.61 1 58 A GLY 59 2 87.80 1 59 A LYS 60 2 82.63 1 60 A GLN 61 2 87.14 1 61 A ALA 62 2 92.60 1 62 A LYS 63 2 85.25 1 63 A PRO 64 2 94.05 1 64 A LEU 65 2 91.86 1 65 A ASN 66 2 90.48 1 66 A ALA 67 2 96.99 1 67 A VAL 68 2 93.98 1 68 A GLU 69 2 89.47 1 69 A LYS 70 2 88.65 1 70 A LYS 71 2 93.18 1 71 A ILE 72 2 96.96 1 72 A ASP 73 2 90.05 1 73 A ASN 74 2 92.75 1 74 A PHE 75 2 94.23 1 75 A ALA 76 2 93.96 1 76 A SER 77 2 88.99 1 77 A LYS 78 2 87.46 1 78 A PHE 79 2 91.76 1 79 A GLY 80 2 90.23 1 80 A MET 81 2 90.42 1 81 A SER 82 2 90.79 1 82 A MET 83 2 85.79 1 83 A ASP 84 2 88.28 1 84 A ASP 85 2 91.36 1 85 A LEU 86 2 94.52 1 86 A GLN 87 2 86.06 1 87 A GLN 88 2 87.50 1 88 A ALA 89 2 96.33 1 89 A ALA 90 2 96.10 1 90 A ILE 91 2 95.00 1 91 A GLU 92 2 87.39 1 92 A ALA 93 2 95.02 1 93 A ALA 94 2 93.71 1 94 A LYS 95 2 88.70 1 95 A ALA 96 2 92.61 1 96 A ILE 97 2 89.57 1 97 A LYS 98 2 80.96 1 98 A ASP 99 2 83.63 1 99 A LYS 100 2 68.56 1 100 # _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 LYS . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n TYR . 4 A 4 A 5 1 n GLN . 5 A 5 A 6 1 n GLU . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n GLU . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n ARG . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n LYS . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n GLU . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n VAL . 22 A 22 A 23 1 n ASN . 23 A 23 A 24 1 n LYS . 24 A 24 A 25 1 n LYS . 25 A 25 A 26 1 n ALA . 26 A 26 A 27 1 n HIS . 27 A 27 A 28 1 n SER . 28 A 28 A 29 1 n PHE . 29 A 29 A 30 1 n HIS . 30 A 30 A 31 1 n ASP . 31 A 31 A 32 1 n LEU . 32 A 32 A 33 1 n PRO . 33 A 33 A 34 1 n ASP . 34 A 34 A 35 1 n LYS . 35 A 35 A 36 1 n ASP . 36 A 36 A 37 1 n ARG . 37 A 37 A 38 1 n LYS . 38 A 38 A 39 1 n LYS . 39 A 39 A 40 1 n LEU . 40 A 40 A 41 1 n VAL . 41 A 41 A 42 1 n SER . 42 A 42 A 43 1 n LEU . 43 A 43 A 44 1 n TYR . 44 A 44 A 45 1 n ILE . 45 A 45 A 46 1 n ASP . 46 A 46 A 47 1 n ARG . 47 A 47 A 48 1 n GLU . 48 A 48 A 49 1 n ARG . 49 A 49 A 50 1 n ILE . 50 A 50 A 51 1 n LEU . 51 A 51 A 52 1 n ALA . 52 A 52 A 53 1 n LEU . 53 A 53 A 54 1 n PRO . 54 A 54 A 55 1 n GLY . 55 A 55 A 56 1 n ALA . 56 A 56 A 57 1 n ASN . 57 A 57 A 58 1 n GLU . 58 A 58 A 59 1 n GLY . 59 A 59 A 60 1 n LYS . 60 A 60 A 61 1 n GLN . 61 A 61 A 62 1 n ALA . 62 A 62 A 63 1 n LYS . 63 A 63 A 64 1 n PRO . 64 A 64 A 65 1 n LEU . 65 A 65 A 66 1 n ASN . 66 A 66 A 67 1 n ALA . 67 A 67 A 68 1 n VAL . 68 A 68 A 69 1 n GLU . 69 A 69 A 70 1 n LYS . 70 A 70 A 71 1 n LYS . 71 A 71 A 72 1 n ILE . 72 A 72 A 73 1 n ASP . 73 A 73 A 74 1 n ASN . 74 A 74 A 75 1 n PHE . 75 A 75 A 76 1 n ALA . 76 A 76 A 77 1 n SER . 77 A 77 A 78 1 n LYS . 78 A 78 A 79 1 n PHE . 79 A 79 A 80 1 n GLY . 80 A 80 A 81 1 n MET . 81 A 81 A 82 1 n SER . 82 A 82 A 83 1 n MET . 83 A 83 A 84 1 n ASP . 84 A 84 A 85 1 n ASP . 85 A 85 A 86 1 n LEU . 86 A 86 A 87 1 n GLN . 87 A 87 A 88 1 n GLN . 88 A 88 A 89 1 n ALA . 89 A 89 A 90 1 n ALA . 90 A 90 A 91 1 n ILE . 91 A 91 A 92 1 n GLU . 92 A 92 A 93 1 n ALA . 93 A 93 A 94 1 n ALA . 94 A 94 A 95 1 n LYS . 95 A 95 A 96 1 n ALA . 96 A 96 A 97 1 n ILE . 97 A 97 A 98 1 n LYS . 98 A 98 A 99 1 n ASP . 99 A 99 A 100 1 n LYS . 100 A 100 # _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 ? 31.284 29.033 -1.248 1.00 83.10 1 A 1 ATOM 2 C CA . MET A 1 1 ? 30.130 29.951 -1.366 1.00 88.96 1 A 1 ATOM 3 C C . MET A 1 1 ? 29.268 29.460 -2.510 1.00 89.91 1 A 1 ATOM 4 O O . MET A 1 1 ? 29.810 29.249 -3.588 1.00 85.19 1 A 1 ATOM 5 C CB . MET A 1 1 ? 30.585 31.393 -1.650 1.00 82.74 1 A 1 ATOM 6 C CG . MET A 1 1 ? 30.712 32.230 -0.379 1.00 73.36 1 A 1 ATOM 7 S SD . MET A 1 1 ? 31.434 33.859 -0.698 1.00 67.79 1 A 1 ATOM 8 C CE . MET A 1 1 ? 30.650 34.845 0.606 1.00 58.15 1 A 1 ATOM 9 N N . LYS A 1 2 ? 27.956 29.228 -2.279 1.00 86.62 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 27.007 28.906 -3.355 1.00 87.93 2 A 1 ATOM 11 C C . LYS A 1 2 ? 26.688 30.177 -4.135 1.00 88.34 2 A 1 ATOM 12 O O . LYS A 1 2 ? 26.550 31.247 -3.536 1.00 87.16 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 25.720 28.276 -2.798 1.00 84.69 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 25.959 26.867 -2.233 1.00 80.46 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 24.636 26.240 -1.754 1.00 77.22 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 24.885 24.830 -1.212 1.00 71.63 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 23.621 24.183 -0.789 1.00 65.37 2 A 1 ATOM 18 N N . THR A 1 3 ? 26.572 30.071 -5.451 1.00 86.47 3 A 1 ATOM 19 C CA . THR A 1 3 ? 26.125 31.169 -6.307 1.00 89.17 3 A 1 ATOM 20 C C . THR A 1 3 ? 24.621 31.408 -6.116 1.00 89.62 3 A 1 ATOM 21 O O . THR A 1 3 ? 23.869 30.516 -5.702 1.00 88.02 3 A 1 ATOM 22 C CB . THR A 1 3 ? 26.450 30.904 -7.784 1.00 88.51 3 A 1 ATOM 23 O OG1 . THR A 1 3 ? 25.752 29.767 -8.217 1.00 84.36 3 A 1 ATOM 24 C CG2 . THR A 1 3 ? 27.942 30.685 -8.048 1.00 80.57 3 A 1 ATOM 25 N N . TYR A 1 4 ? 24.141 32.613 -6.441 1.00 87.83 4 A 1 ATOM 26 C CA . TYR A 1 4 ? 22.709 32.946 -6.378 1.00 88.25 4 A 1 ATOM 27 C C . TYR A 1 4 ? 21.841 32.001 -7.231 1.00 88.25 4 A 1 ATOM 28 O O . TYR A 1 4 ? 20.734 31.628 -6.837 1.00 88.94 4 A 1 ATOM 29 C CB . TYR A 1 4 ? 22.553 34.405 -6.829 1.00 87.56 4 A 1 ATOM 30 C CG . TYR A 1 4 ? 21.121 34.890 -6.882 1.00 81.45 4 A 1 ATOM 31 C CD1 . TYR A 1 4 ? 20.495 35.115 -8.127 1.00 74.14 4 A 1 ATOM 32 C CD2 . TYR A 1 4 ? 20.417 35.131 -5.688 1.00 73.18 4 A 1 ATOM 33 C CE1 . TYR A 1 4 ? 19.175 35.595 -8.175 1.00 68.56 4 A 1 ATOM 34 C CE2 . TYR A 1 4 ? 19.093 35.604 -5.731 1.00 69.17 4 A 1 ATOM 35 C CZ . TYR A 1 4 ? 18.472 35.841 -6.976 1.00 68.21 4 A 1 ATOM 36 O OH . TYR A 1 4 ? 17.191 36.303 -7.021 1.00 66.45 4 A 1 ATOM 37 N N . GLN A 1 5 ? 22.353 31.548 -8.374 1.00 85.44 5 A 1 ATOM 38 C CA . GLN A 1 5 ? 21.670 30.595 -9.254 1.00 86.09 5 A 1 ATOM 39 C C . GLN A 1 5 ? 21.548 29.202 -8.623 1.00 86.57 5 A 1 ATOM 40 O O . GLN A 1 5 ? 20.481 28.594 -8.709 1.00 86.68 5 A 1 ATOM 41 C CB . GLN A 1 5 ? 22.413 30.511 -10.590 1.00 86.15 5 A 1 ATOM 42 C CG . GLN A 1 5 ? 22.260 31.799 -11.422 1.00 80.57 5 A 1 ATOM 43 C CD . GLN A 1 5 ? 23.002 31.725 -12.757 1.00 73.11 5 A 1 ATOM 44 O OE1 . GLN A 1 5 ? 23.841 30.877 -12.997 1.00 66.21 5 A 1 ATOM 45 N NE2 . GLN A 1 5 ? 22.726 32.622 -13.680 1.00 63.18 5 A 1 ATOM 46 N N . GLU A 1 6 ? 22.588 28.709 -7.946 1.00 84.76 6 A 1 ATOM 47 C CA . GLU A 1 6 ? 22.547 27.432 -7.220 1.00 86.29 6 A 1 ATOM 48 C C . GLU A 1 6 ? 21.546 27.484 -6.059 1.00 86.93 6 A 1 ATOM 49 O O . GLU A 1 6 ? 20.769 26.546 -5.874 1.00 85.94 6 A 1 ATOM 50 C CB . GLU A 1 6 ? 23.942 27.093 -6.685 1.00 86.79 6 A 1 ATOM 51 C CG . GLU A 1 6 ? 24.912 26.686 -7.808 1.00 81.62 6 A 1 ATOM 52 C CD . GLU A 1 6 ? 26.372 26.683 -7.335 1.00 75.81 6 A 1 ATOM 53 O OE1 . GLU A 1 6 ? 27.137 25.814 -7.793 1.00 68.66 6 A 1 ATOM 54 O OE2 . GLU A 1 6 ? 26.725 27.603 -6.553 1.00 69.96 6 A 1 ATOM 55 N N . PHE A 1 7 ? 21.489 28.608 -5.322 1.00 84.33 7 A 1 ATOM 56 C CA . PHE A 1 7 ? 20.517 28.796 -4.248 1.00 83.31 7 A 1 ATOM 57 C C . PHE A 1 7 ? 19.069 28.753 -4.761 1.00 84.42 7 A 1 ATOM 58 O O . PHE A 1 7 ? 18.227 28.055 -4.193 1.00 84.49 7 A 1 ATOM 59 C CB . PHE A 1 7 ? 20.816 30.119 -3.529 1.00 83.10 7 A 1 ATOM 60 C CG . PHE A 1 7 ? 19.877 30.385 -2.374 1.00 78.55 7 A 1 ATOM 61 C CD1 . PHE A 1 7 ? 18.749 31.209 -2.548 1.00 71.73 7 A 1 ATOM 62 C CD2 . PHE A 1 7 ? 20.104 29.769 -1.130 1.00 72.20 7 A 1 ATOM 63 C CE1 . PHE A 1 7 ? 17.858 31.425 -1.482 1.00 66.78 7 A 1 ATOM 64 C CE2 . PHE A 1 7 ? 19.216 29.981 -0.063 1.00 68.01 7 A 1 ATOM 65 C CZ . PHE A 1 7 ? 18.091 30.808 -0.236 1.00 65.83 7 A 1 ATOM 66 N N . ILE A 1 8 ? 18.764 29.445 -5.864 1.00 87.31 8 A 1 ATOM 67 C CA . ILE A 1 8 ? 17.426 29.409 -6.485 1.00 86.19 8 A 1 ATOM 68 C C . ILE A 1 8 ? 17.080 28.009 -6.999 1.00 84.76 8 A 1 ATOM 69 O O . ILE A 1 8 ? 15.939 27.566 -6.848 1.00 87.13 8 A 1 ATOM 70 C CB . ILE A 1 8 ? 17.317 30.469 -7.604 1.00 86.83 8 A 1 ATOM 71 C CG1 . ILE A 1 8 ? 17.259 31.866 -6.949 1.00 83.83 8 A 1 ATOM 72 C CG2 . ILE A 1 8 ? 16.080 30.238 -8.501 1.00 80.97 8 A 1 ATOM 73 C CD1 . ILE A 1 8 ? 17.094 33.021 -7.923 1.00 71.13 8 A 1 ATOM 74 N N . ALA A 1 9 ? 18.029 27.290 -7.597 1.00 79.09 9 A 1 ATOM 75 C CA . ALA A 1 9 ? 17.810 25.930 -8.081 1.00 79.91 9 A 1 ATOM 76 C C . ALA A 1 9 ? 17.472 24.974 -6.924 1.00 80.97 9 A 1 ATOM 77 O O . ALA A 1 9 ? 16.483 24.244 -7.003 1.00 79.13 9 A 1 ATOM 78 C CB . ALA A 1 9 ? 19.044 25.477 -8.871 1.00 80.66 9 A 1 ATOM 79 N N . GLU A 1 10 ? 18.210 25.026 -5.807 1.00 82.17 10 A 1 ATOM 80 C CA . GLU A 1 10 ? 17.927 24.227 -4.611 1.00 82.85 10 A 1 ATOM 81 C C . GLU A 1 10 ? 16.568 24.576 -3.986 1.00 82.64 10 A 1 ATOM 82 O O . GLU A 1 10 ? 15.798 23.672 -3.649 1.00 81.17 10 A 1 ATOM 83 C CB . GLU A 1 10 ? 19.037 24.426 -3.568 1.00 83.04 10 A 1 ATOM 84 C CG . GLU A 1 10 ? 20.331 23.685 -3.938 1.00 75.31 10 A 1 ATOM 85 C CD . GLU A 1 10 ? 21.426 23.837 -2.867 1.00 70.81 10 A 1 ATOM 86 O OE1 . GLU A 1 10 ? 22.494 23.196 -2.981 1.00 64.34 10 A 1 ATOM 87 O OE2 . GLU A 1 10 ? 21.257 24.586 -1.872 1.00 65.36 10 A 1 ATOM 88 N N . ALA A 1 11 ? 16.225 25.869 -3.890 1.00 82.95 11 A 1 ATOM 89 C CA . ALA A 1 11 ? 14.936 26.317 -3.369 1.00 82.39 11 A 1 ATOM 90 C C . ALA A 1 11 ? 13.760 25.810 -4.223 1.00 82.16 11 A 1 ATOM 91 O O . ALA A 1 11 ? 12.765 25.328 -3.679 1.00 82.07 11 A 1 ATOM 92 C CB . ALA A 1 11 ? 14.948 27.847 -3.272 1.00 83.48 11 A 1 ATOM 93 N N . ARG A 1 12 ? 13.879 25.831 -5.554 1.00 78.13 12 A 1 ATOM 94 C CA . ARG A 1 12 ? 12.863 25.289 -6.473 1.00 78.73 12 A 1 ATOM 95 C C . ARG A 1 12 ? 12.708 23.776 -6.337 1.00 78.44 12 A 1 ATOM 96 O O . ARG A 1 12 ? 11.584 23.279 -6.310 1.00 78.25 12 A 1 ATOM 97 C CB . ARG A 1 12 ? 13.209 25.653 -7.924 1.00 80.53 12 A 1 ATOM 98 C CG . ARG A 1 12 ? 12.899 27.124 -8.236 1.00 73.46 12 A 1 ATOM 99 C CD . ARG A 1 12 ? 13.332 27.440 -9.670 1.00 70.52 12 A 1 ATOM 100 N NE . ARG A 1 12 ? 13.020 28.834 -10.040 1.00 62.73 12 A 1 ATOM 101 C CZ . ARG A 1 12 ? 13.271 29.408 -11.204 1.00 56.79 12 A 1 ATOM 102 N NH1 . ARG A 1 12 ? 13.842 28.761 -12.183 1.00 52.83 12 A 1 ATOM 103 N NH2 . ARG A 1 12 ? 12.945 30.655 -11.409 1.00 49.72 12 A 1 ATOM 104 N N . VAL A 1 13 ? 13.815 23.036 -6.222 1.00 77.95 13 A 1 ATOM 105 C CA . VAL A 1 13 ? 13.778 21.578 -6.005 1.00 77.82 13 A 1 ATOM 106 C C . VAL A 1 13 ? 13.137 21.244 -4.654 1.00 78.03 13 A 1 ATOM 107 O O . VAL A 1 13 ? 12.324 20.318 -4.573 1.00 75.72 13 A 1 ATOM 108 C CB . VAL A 1 13 ? 15.194 20.977 -6.120 1.00 77.81 13 A 1 ATOM 109 C CG1 . VAL A 1 13 ? 15.241 19.499 -5.699 1.00 70.50 13 A 1 ATOM 110 C CG2 . VAL A 1 13 ? 15.693 21.039 -7.571 1.00 71.96 13 A 1 ATOM 111 N N . GLY A 1 14 ? 13.455 22.000 -3.600 1.00 79.45 14 A 1 ATOM 112 C CA . GLY A 1 14 ? 12.842 21.851 -2.281 1.00 78.74 14 A 1 ATOM 113 C C . GLY A 1 14 ? 11.336 22.121 -2.297 1.00 80.19 14 A 1 ATOM 114 O O . GLY A 1 14 ? 10.564 21.298 -1.802 1.00 77.94 14 A 1 ATOM 115 N N . ALA A 1 15 ? 10.904 23.216 -2.930 1.00 80.08 15 A 1 ATOM 116 C CA . ALA A 1 15 ? 9.494 23.570 -3.070 1.00 79.99 15 A 1 ATOM 117 C C . ALA A 1 15 ? 8.704 22.502 -3.843 1.00 79.54 15 A 1 ATOM 118 O O . ALA A 1 15 ? 7.661 22.059 -3.369 1.00 78.12 15 A 1 ATOM 119 C CB . ALA A 1 15 ? 9.393 24.945 -3.739 1.00 81.64 15 A 1 ATOM 120 N N . GLY A 1 16 ? 9.233 22.010 -4.961 1.00 74.04 16 A 1 ATOM 121 C CA . GLY A 1 16 ? 8.580 20.947 -5.738 1.00 72.15 16 A 1 ATOM 122 C C . GLY A 1 16 ? 8.457 19.622 -4.978 1.00 74.66 16 A 1 ATOM 123 O O . GLY A 1 16 ? 7.444 18.933 -5.090 1.00 74.28 16 A 1 ATOM 124 N N . LYS A 1 17 ? 9.443 19.265 -4.143 1.00 71.95 17 A 1 ATOM 125 C CA . LYS A 1 17 ? 9.360 18.076 -3.272 1.00 73.30 17 A 1 ATOM 126 C C . LYS A 1 17 ? 8.303 18.235 -2.174 1.00 73.76 17 A 1 ATOM 127 O O . LYS A 1 17 ? 7.576 17.279 -1.902 1.00 74.17 17 A 1 ATOM 128 C CB . LYS A 1 17 ? 10.724 17.775 -2.640 1.00 74.60 17 A 1 ATOM 129 C CG . LYS A 1 17 ? 11.705 17.145 -3.637 1.00 72.19 17 A 1 ATOM 130 C CD . LYS A 1 17 ? 13.060 16.919 -2.954 1.00 69.57 17 A 1 ATOM 131 C CE . LYS A 1 17 ? 14.056 16.295 -3.935 1.00 63.15 17 A 1 ATOM 132 N NZ . LYS A 1 17 ? 15.374 16.060 -3.291 1.00 55.44 17 A 1 ATOM 133 N N . LEU A 1 18 ? 8.209 19.415 -1.558 1.00 75.30 18 A 1 ATOM 134 C CA . LEU A 1 18 ? 7.190 19.722 -0.552 1.00 74.75 18 A 1 ATOM 135 C C . LEU A 1 18 ? 5.789 19.712 -1.167 1.00 73.31 18 A 1 ATOM 136 O O . LEU A 1 18 ? 4.894 19.067 -0.627 1.00 73.64 18 A 1 ATOM 137 C CB . LEU A 1 18 ? 7.492 21.084 0.094 1.00 75.95 18 A 1 ATOM 138 C CG . LEU A 1 18 ? 8.663 21.054 1.094 1.00 69.10 18 A 1 ATOM 139 C CD1 . LEU A 1 18 ? 9.077 22.483 1.443 1.00 64.84 18 A 1 ATOM 140 C CD2 . LEU A 1 18 ? 8.284 20.336 2.391 1.00 64.96 18 A 1 ATOM 141 N N . GLU A 1 19 ? 5.609 20.343 -2.321 1.00 72.54 19 A 1 ATOM 142 C CA . GLU A 1 19 ? 4.342 20.342 -3.053 1.00 72.29 19 A 1 ATOM 143 C C . GLU A 1 19 ? 3.917 18.921 -3.442 1.00 71.86 19 A 1 ATOM 144 O O . GLU A 1 19 ? 2.772 18.531 -3.216 1.00 71.56 19 A 1 ATOM 145 C CB . GLU A 1 19 ? 4.491 21.246 -4.280 1.00 73.95 19 A 1 ATOM 146 C CG . GLU A 1 19 ? 3.152 21.450 -4.997 1.00 67.22 19 A 1 ATOM 147 C CD . GLU A 1 19 ? 3.257 22.376 -6.217 1.00 63.56 19 A 1 ATOM 148 O OE1 . GLU A 1 19 ? 2.183 22.660 -6.794 1.00 58.06 19 A 1 ATOM 149 O OE2 . GLU A 1 19 ? 4.393 22.764 -6.585 1.00 60.53 19 A 1 ATOM 150 N N . ALA A 1 20 ? 4.839 18.090 -3.931 1.00 71.00 20 A 1 ATOM 151 C CA . ALA A 1 20 ? 4.558 16.687 -4.234 1.00 69.80 20 A 1 ATOM 152 C C . ALA A 1 20 ? 4.198 15.871 -2.981 1.00 69.48 20 A 1 ATOM 153 O O . ALA A 1 20 ? 3.358 14.976 -3.057 1.00 67.52 20 A 1 ATOM 154 C CB . ALA A 1 20 ? 5.772 16.089 -4.954 1.00 69.76 20 A 1 ATOM 155 N N . ALA A 1 21 ? 4.809 16.165 -1.830 1.00 70.95 21 A 1 ATOM 156 C CA . ALA A 1 21 ? 4.495 15.497 -0.568 1.00 69.49 21 A 1 ATOM 157 C C . ALA A 1 21 ? 3.122 15.912 -0.012 1.00 69.81 21 A 1 ATOM 158 O O . ALA A 1 21 ? 2.374 15.056 0.451 1.00 68.48 21 A 1 ATOM 159 C CB . ALA A 1 21 ? 5.620 15.781 0.435 1.00 69.17 21 A 1 ATOM 160 N N . VAL A 1 22 ? 2.775 17.205 -0.090 1.00 72.63 22 A 1 ATOM 161 C CA . VAL A 1 22 ? 1.476 17.751 0.353 1.00 72.40 22 A 1 ATOM 162 C C . VAL A 1 22 ? 0.342 17.320 -0.579 1.00 71.77 22 A 1 ATOM 163 O O . VAL A 1 22 ? -0.737 16.959 -0.117 1.00 69.18 22 A 1 ATOM 164 C CB . VAL A 1 22 ? 1.558 19.286 0.464 1.00 72.61 22 A 1 ATOM 165 C CG1 . VAL A 1 22 ? 0.199 19.940 0.750 1.00 66.59 22 A 1 ATOM 166 C CG2 . VAL A 1 22 ? 2.500 19.695 1.609 1.00 69.08 22 A 1 ATOM 167 N N . ASN A 1 23 ? 0.590 17.289 -1.889 1.00 72.16 23 A 1 ATOM 168 C CA . ASN A 1 23 ? -0.378 16.858 -2.900 1.00 71.00 23 A 1 ATOM 169 C C . ASN A 1 23 ? -0.448 15.337 -3.073 1.00 70.30 23 A 1 ATOM 170 O O . ASN A 1 23 ? -1.154 14.856 -3.966 1.00 68.62 23 A 1 ATOM 171 C CB . ASN A 1 23 ? -0.072 17.561 -4.232 1.00 69.55 23 A 1 ATOM 172 C CG . ASN A 1 23 ? -0.358 19.049 -4.192 1.00 63.91 23 A 1 ATOM 173 O OD1 . ASN A 1 23 ? -1.221 19.522 -3.476 1.00 60.78 23 A 1 ATOM 174 N ND2 . ASN A 1 23 ? 0.320 19.826 -5.004 1.00 58.52 23 A 1 ATOM 175 N N . LYS A 1 24 ? 0.263 14.559 -2.243 1.00 70.98 24 A 1 ATOM 176 C CA . LYS A 1 24 ? 0.130 13.101 -2.219 1.00 70.63 24 A 1 ATOM 177 C C . LYS A 1 24 ? -1.276 12.769 -1.717 1.00 71.40 24 A 1 ATOM 178 O O . LYS A 1 24 ? -1.506 12.656 -0.521 1.00 68.11 24 A 1 ATOM 179 C CB . LYS A 1 24 ? 1.257 12.477 -1.378 1.00 66.03 24 A 1 ATOM 180 C CG . LYS A 1 24 ? 1.419 10.983 -1.694 1.00 61.21 24 A 1 ATOM 181 C CD . LYS A 1 24 ? 2.569 10.386 -0.876 1.00 59.89 24 A 1 ATOM 182 C CE . LYS A 1 24 ? 2.778 8.920 -1.270 1.00 53.48 24 A 1 ATOM 183 N NZ . LYS A 1 24 ? 3.767 8.255 -0.393 1.00 48.37 24 A 1 ATOM 184 N N . LYS A 1 25 ? -2.231 12.680 -2.651 1.00 75.45 25 A 1 ATOM 185 C CA . LYS A 1 25 ? -3.636 12.411 -2.356 1.00 76.71 25 A 1 ATOM 186 C C . LYS A 1 25 ? -3.729 11.056 -1.661 1.00 80.17 25 A 1 ATOM 187 O O . LYS A 1 25 ? -3.372 10.041 -2.260 1.00 76.21 25 A 1 ATOM 188 C CB . LYS A 1 25 ? -4.492 12.443 -3.630 1.00 69.90 25 A 1 ATOM 189 C CG . LYS A 1 25 ? -4.676 13.871 -4.171 1.00 61.60 25 A 1 ATOM 190 C CD . LYS A 1 25 ? -5.630 13.876 -5.372 1.00 58.29 25 A 1 ATOM 191 C CE . LYS A 1 25 ? -5.850 15.311 -5.864 1.00 51.09 25 A 1 ATOM 192 N NZ . LYS A 1 25 ? -6.807 15.358 -6.995 1.00 44.97 25 A 1 ATOM 193 N N . ALA A 1 26 ? -4.210 11.071 -0.419 1.00 83.13 26 A 1 ATOM 194 C CA . ALA A 1 26 ? -4.732 9.872 0.205 1.00 84.69 26 A 1 ATOM 195 C C . ALA A 1 26 ? -5.935 9.400 -0.617 1.00 86.11 26 A 1 ATOM 196 O O . ALA A 1 26 ? -6.758 10.218 -1.035 1.00 83.00 26 A 1 ATOM 197 C CB . ALA A 1 26 ? -5.086 10.175 1.666 1.00 81.11 26 A 1 ATOM 198 N N . HIS A 1 27 ? -6.001 8.111 -0.900 1.00 87.84 27 A 1 ATOM 199 C CA . HIS A 1 27 ? -7.130 7.493 -1.586 1.00 88.64 27 A 1 ATOM 200 C C . HIS A 1 27 ? -7.857 6.616 -0.582 1.00 89.67 27 A 1 ATOM 201 O O . HIS A 1 27 ? -7.237 5.751 0.039 1.00 87.51 27 A 1 ATOM 202 C CB . HIS A 1 27 ? -6.667 6.678 -2.798 1.00 87.72 27 A 1 ATOM 203 C CG . HIS A 1 27 ? -6.081 7.514 -3.908 1.00 87.03 27 A 1 ATOM 204 N ND1 . HIS A 1 27 ? -4.884 8.185 -3.866 1.00 74.67 27 A 1 ATOM 205 C CD2 . HIS A 1 27 ? -6.618 7.750 -5.148 1.00 74.23 27 A 1 ATOM 206 C CE1 . HIS A 1 27 ? -4.709 8.813 -5.037 1.00 75.91 27 A 1 ATOM 207 N NE2 . HIS A 1 27 ? -5.736 8.567 -5.864 1.00 78.45 27 A 1 ATOM 208 N N . SER A 1 28 ? -9.159 6.817 -0.459 1.00 90.91 28 A 1 ATOM 209 C CA . SER A 1 28 ? -9.995 5.840 0.224 1.00 91.55 28 A 1 ATOM 210 C C . SER A 1 28 ? -10.100 4.571 -0.624 1.00 92.38 28 A 1 ATOM 211 O O . SER A 1 28 ? -9.851 4.574 -1.835 1.00 92.02 28 A 1 ATOM 212 C CB . SER A 1 28 ? -11.371 6.430 0.554 1.00 89.81 28 A 1 ATOM 213 O OG . SER A 1 28 ? -12.196 6.465 -0.593 1.00 81.55 28 A 1 ATOM 214 N N . PHE A 1 29 ? -10.493 3.456 -0.002 1.00 92.61 29 A 1 ATOM 215 C CA . PHE A 1 29 ? -10.743 2.212 -0.735 1.00 93.81 29 A 1 ATOM 216 C C . PHE A 1 29 ? -11.757 2.399 -1.881 1.00 94.34 29 A 1 ATOM 217 O O . PHE A 1 29 ? -11.615 1.805 -2.955 1.00 94.13 29 A 1 ATOM 218 C CB . PHE A 1 29 ? -11.231 1.150 0.255 1.00 94.05 29 A 1 ATOM 219 C CG . PHE A 1 29 ? -11.596 -0.154 -0.420 1.00 94.90 29 A 1 ATOM 220 C CD1 . PHE A 1 29 ? -12.944 -0.542 -0.532 1.00 92.64 29 A 1 ATOM 221 C CD2 . PHE A 1 29 ? -10.588 -0.966 -0.969 1.00 93.20 29 A 1 ATOM 222 C CE1 . PHE A 1 29 ? -13.277 -1.745 -1.175 1.00 91.84 29 A 1 ATOM 223 C CE2 . PHE A 1 29 ? -10.923 -2.168 -1.615 1.00 91.92 29 A 1 ATOM 224 C CZ . PHE A 1 29 ? -12.267 -2.560 -1.713 1.00 93.29 29 A 1 ATOM 225 N N . HIS A 1 30 ? -12.763 3.254 -1.670 1.00 93.96 30 A 1 ATOM 226 C CA . HIS A 1 30 ? -13.801 3.531 -2.663 1.00 93.54 30 A 1 ATOM 227 C C . HIS A 1 30 ? -13.333 4.447 -3.800 1.00 93.87 30 A 1 ATOM 228 O O . HIS A 1 30 ? -13.833 4.299 -4.917 1.00 91.88 30 A 1 ATOM 229 C CB . HIS A 1 30 ? -15.039 4.089 -1.953 1.00 92.45 30 A 1 ATOM 230 C CG . HIS A 1 30 ? -15.662 3.067 -1.029 1.00 88.13 30 A 1 ATOM 231 N ND1 . HIS A 1 30 ? -16.190 1.848 -1.405 1.00 77.25 30 A 1 ATOM 232 C CD2 . HIS A 1 30 ? -15.770 3.150 0.330 1.00 74.87 30 A 1 ATOM 233 C CE1 . HIS A 1 30 ? -16.606 1.216 -0.301 1.00 75.66 30 A 1 ATOM 234 N NE2 . HIS A 1 30 ? -16.372 1.971 0.782 1.00 76.87 30 A 1 ATOM 235 N N . ASP A 1 31 ? -12.332 5.317 -3.556 1.00 93.67 31 A 1 ATOM 236 C CA . ASP A 1 31 ? -11.751 6.216 -4.563 1.00 92.62 31 A 1 ATOM 237 C C . ASP A 1 31 ? -10.738 5.517 -5.477 1.00 93.78 31 A 1 ATOM 238 O O . ASP A 1 31 ? -10.316 6.080 -6.492 1.00 92.08 31 A 1 ATOM 239 C CB . ASP A 1 31 ? -11.065 7.403 -3.874 1.00 89.66 31 A 1 ATOM 240 C CG . ASP A 1 31 ? -12.012 8.256 -3.036 1.00 82.21 31 A 1 ATOM 241 O OD1 . ASP A 1 31 ? -13.156 8.481 -3.482 1.00 77.85 31 A 1 ATOM 242 O OD2 . ASP A 1 31 ? -11.563 8.661 -1.938 1.00 77.63 31 A 1 ATOM 243 N N . LEU A 1 32 ? -10.310 4.296 -5.140 1.00 93.81 32 A 1 ATOM 244 C CA . LEU A 1 32 ? -9.390 3.545 -5.983 1.00 94.37 32 A 1 ATOM 245 C C . LEU A 1 32 ? -10.035 3.207 -7.337 1.00 94.75 32 A 1 ATOM 246 O O . LEU A 1 32 ? -11.182 2.743 -7.389 1.00 94.71 32 A 1 ATOM 247 C CB . LEU A 1 32 ? -8.934 2.252 -5.295 1.00 94.64 32 A 1 ATOM 248 C CG . LEU A 1 32 ? -8.013 2.447 -4.083 1.00 93.32 32 A 1 ATOM 249 C CD1 . LEU A 1 32 ? -7.760 1.077 -3.450 1.00 90.59 32 A 1 ATOM 250 C CD2 . LEU A 1 32 ? -6.660 3.048 -4.465 1.00 90.37 32 A 1 ATOM 251 N N . PRO A 1 33 ? -9.269 3.313 -8.442 1.00 95.08 33 A 1 ATOM 252 C CA . PRO A 1 33 ? -9.681 2.750 -9.722 1.00 94.70 33 A 1 ATOM 253 C C . PRO A 1 33 ? -10.034 1.265 -9.581 1.00 95.52 33 A 1 ATOM 254 O O . PRO A 1 33 ? -9.344 0.527 -8.880 1.00 95.16 33 A 1 ATOM 255 C CB . PRO A 1 33 ? -8.489 2.950 -10.667 1.00 93.32 33 A 1 ATOM 256 C CG . PRO A 1 33 ? -7.711 4.106 -10.039 1.00 90.91 33 A 1 ATOM 257 C CD . PRO A 1 33 ? -7.943 3.912 -8.546 1.00 93.48 33 A 1 ATOM 258 N N . ASP A 1 34 ? -11.050 0.786 -10.301 1.00 95.88 34 A 1 ATOM 259 C CA . ASP A 1 34 ? -11.542 -0.596 -10.186 1.00 96.25 34 A 1 ATOM 260 C C . ASP A 1 34 ? -10.446 -1.660 -10.308 1.00 96.55 34 A 1 ATOM 261 O O . ASP A 1 34 ? -10.455 -2.674 -9.607 1.00 96.22 34 A 1 ATOM 262 C CB . ASP A 1 34 ? -12.574 -0.875 -11.284 1.00 95.27 34 A 1 ATOM 263 C CG . ASP A 1 34 ? -13.923 -0.213 -11.043 1.00 84.24 34 A 1 ATOM 264 O OD1 . ASP A 1 34 ? -14.193 0.147 -9.874 1.00 78.51 34 A 1 ATOM 265 O OD2 . ASP A 1 34 ? -14.674 -0.149 -12.038 1.00 78.31 34 A 1 ATOM 266 N N . LYS A 1 35 ? -9.464 -1.432 -11.192 1.00 96.95 35 A 1 ATOM 267 C CA . LYS A 1 35 ? -8.310 -2.320 -11.374 1.00 96.99 35 A 1 ATOM 268 C C . LYS A 1 35 ? -7.480 -2.442 -10.098 1.00 97.19 35 A 1 ATOM 269 O O . LYS A 1 35 ? -7.093 -3.552 -9.722 1.00 96.65 35 A 1 ATOM 270 C CB . LYS A 1 35 ? -7.467 -1.795 -12.543 1.00 96.63 35 A 1 ATOM 271 C CG . LYS A 1 35 ? -6.272 -2.711 -12.846 1.00 88.62 35 A 1 ATOM 272 C CD . LYS A 1 35 ? -5.448 -2.152 -14.006 1.00 84.52 35 A 1 ATOM 273 C CE . LYS A 1 35 ? -4.231 -3.035 -14.272 1.00 74.84 35 A 1 ATOM 274 N NZ . LYS A 1 35 ? -3.425 -2.499 -15.395 1.00 66.43 35 A 1 ATOM 275 N N . ASP A 1 36 ? -7.197 -1.321 -9.448 1.00 96.49 36 A 1 ATOM 276 C CA . ASP A 1 36 ? -6.381 -1.273 -8.237 1.00 96.39 36 A 1 ATOM 277 C C . ASP A 1 36 ? -7.166 -1.795 -7.029 1.00 96.87 36 A 1 ATOM 278 O O . ASP A 1 36 ? -6.631 -2.581 -6.244 1.00 96.64 36 A 1 ATOM 279 C CB . ASP A 1 36 ? -5.846 0.154 -8.039 1.00 95.65 36 A 1 ATOM 280 C CG . ASP A 1 36 ? -4.736 0.494 -9.043 1.00 93.93 36 A 1 ATOM 281 O OD1 . ASP A 1 36 ? -3.786 -0.323 -9.178 1.00 90.03 36 A 1 ATOM 282 O OD2 . ASP A 1 36 ? -4.802 1.563 -9.681 1.00 89.29 36 A 1 ATOM 283 N N . ARG A 1 37 ? -8.470 -1.482 -6.941 1.00 96.66 37 A 1 ATOM 284 C CA . ARG A 1 37 ? -9.380 -2.032 -5.926 1.00 96.73 37 A 1 ATOM 285 C C . ARG A 1 37 ? -9.434 -3.562 -5.985 1.00 97.13 37 A 1 ATOM 286 O O . ARG A 1 37 ? -9.169 -4.223 -4.987 1.00 96.96 37 A 1 ATOM 287 C CB . ARG A 1 37 ? -10.768 -1.405 -6.116 1.00 95.54 37 A 1 ATOM 288 C CG . ARG A 1 37 ? -11.646 -1.618 -4.881 1.00 88.33 37 A 1 ATOM 289 C CD . ARG A 1 37 ? -13.086 -1.139 -5.098 1.00 87.44 37 A 1 ATOM 290 N NE . ARG A 1 37 ? -13.148 0.270 -5.539 1.00 79.81 37 A 1 ATOM 291 C CZ . ARG A 1 37 ? -14.247 0.948 -5.796 1.00 76.35 37 A 1 ATOM 292 N NH1 . ARG A 1 37 ? -15.436 0.466 -5.573 1.00 68.67 37 A 1 ATOM 293 N NH2 . ARG A 1 37 ? -14.172 2.140 -6.308 1.00 65.27 37 A 1 ATOM 294 N N . LYS A 1 38 ? -9.675 -4.131 -7.174 1.00 96.11 38 A 1 ATOM 295 C CA . LYS A 1 38 ? -9.682 -5.592 -7.392 1.00 96.47 38 A 1 ATOM 296 C C . LYS A 1 38 ? -8.342 -6.234 -7.033 1.00 96.92 38 A 1 ATOM 297 O O . LYS A 1 38 ? -8.316 -7.319 -6.460 1.00 96.69 38 A 1 ATOM 298 C CB . LYS A 1 38 ? -10.039 -5.905 -8.854 1.00 96.11 38 A 1 ATOM 299 C CG . LYS A 1 38 ? -11.536 -5.698 -9.132 1.00 92.11 38 A 1 ATOM 300 C CD . LYS A 1 38 ? -11.855 -5.883 -10.623 1.00 88.23 38 A 1 ATOM 301 C CE . LYS A 1 38 ? -13.344 -5.612 -10.852 1.00 82.25 38 A 1 ATOM 302 N NZ . LYS A 1 38 ? -13.741 -5.700 -12.279 1.00 73.79 38 A 1 ATOM 303 N N . LYS A 1 39 ? -7.227 -5.563 -7.346 1.00 96.98 39 A 1 ATOM 304 C CA . LYS A 1 39 ? -5.888 -6.041 -6.988 1.00 97.11 39 A 1 ATOM 305 C C . LYS A 1 39 ? -5.694 -6.103 -5.475 1.00 97.50 39 A 1 ATOM 306 O O . LYS A 1 39 ? -5.181 -7.106 -4.987 1.00 97.25 39 A 1 ATOM 307 C CB . LYS A 1 39 ? -4.841 -5.152 -7.665 1.00 96.83 39 A 1 ATOM 308 C CG . LYS A 1 39 ? -3.421 -5.672 -7.426 1.00 90.39 39 A 1 ATOM 309 C CD . LYS A 1 39 ? -2.420 -4.790 -8.166 1.00 85.20 39 A 1 ATOM 310 C CE . LYS A 1 39 ? -1.005 -5.321 -7.936 1.00 76.60 39 A 1 ATOM 311 N NZ . LYS A 1 39 ? -0.019 -4.503 -8.675 1.00 68.18 39 A 1 ATOM 312 N N . LEU A 1 40 ? -6.104 -5.066 -4.742 1.00 97.04 40 A 1 ATOM 313 C CA . LEU A 1 40 ? -6.002 -5.052 -3.281 1.00 97.23 40 A 1 ATOM 314 C C . LEU A 1 40 ? -6.872 -6.151 -2.651 1.00 97.47 40 A 1 ATOM 315 O O . LEU A 1 40 ? -6.379 -6.923 -1.835 1.00 97.47 40 A 1 ATOM 316 C CB . LEU A 1 40 ? -6.365 -3.650 -2.769 1.00 97.04 40 A 1 ATOM 317 C CG . LEU A 1 40 ? -6.229 -3.499 -1.245 1.00 96.30 40 A 1 ATOM 318 C CD1 . LEU A 1 40 ? -4.801 -3.743 -0.756 1.00 94.48 40 A 1 ATOM 319 C CD2 . LEU A 1 40 ? -6.638 -2.083 -0.842 1.00 94.65 40 A 1 ATOM 320 N N . VAL A 1 41 ? -8.121 -6.295 -3.092 1.00 96.93 41 A 1 ATOM 321 C CA . VAL A 1 41 ? -9.017 -7.379 -2.646 1.00 97.00 41 A 1 ATOM 322 C C . VAL A 1 41 ? -8.405 -8.755 -2.929 1.00 97.27 41 A 1 ATOM 323 O O . VAL A 1 41 ? -8.397 -9.613 -2.051 1.00 97.41 41 A 1 ATOM 324 C CB . VAL A 1 41 ? -10.406 -7.235 -3.301 1.00 96.86 41 A 1 ATOM 325 C CG1 . VAL A 1 41 ? -11.328 -8.420 -2.994 1.00 95.03 41 A 1 ATOM 326 C CG2 . VAL A 1 41 ? -11.117 -5.967 -2.805 1.00 94.91 41 A 1 ATOM 327 N N . SER A 1 42 ? -7.806 -8.963 -4.105 1.00 97.69 42 A 1 ATOM 328 C CA . SER A 1 42 ? -7.113 -10.218 -4.434 1.00 97.57 42 A 1 ATOM 329 C C . SER A 1 42 ? -5.957 -10.524 -3.479 1.00 97.67 42 A 1 ATOM 330 O O . SER A 1 42 ? -5.797 -11.675 -3.080 1.00 97.44 42 A 1 ATOM 331 C CB . SER A 1 42 ? -6.592 -10.168 -5.870 1.00 97.14 42 A 1 ATOM 332 O OG . SER A 1 42 ? -5.990 -11.386 -6.277 1.00 79.25 42 A 1 ATOM 333 N N . LEU A 1 43 ? -5.176 -9.517 -3.064 1.00 97.47 43 A 1 ATOM 334 C CA . LEU A 1 43 ? -4.096 -9.713 -2.090 1.00 97.44 43 A 1 ATOM 335 C C . LEU A 1 43 ? -4.637 -10.159 -0.726 1.00 97.49 43 A 1 ATOM 336 O O . LEU A 1 43 ? -4.046 -11.036 -0.099 1.00 97.55 43 A 1 ATOM 337 C CB . LEU A 1 43 ? -3.271 -8.420 -1.935 1.00 97.75 43 A 1 ATOM 338 C CG . LEU A 1 43 ? -2.419 -8.034 -3.157 1.00 96.88 43 A 1 ATOM 339 C CD1 . LEU A 1 43 ? -1.814 -6.643 -2.937 1.00 95.47 43 A 1 ATOM 340 C CD2 . LEU A 1 43 ? -1.273 -9.019 -3.396 1.00 95.69 43 A 1 ATOM 341 N N . TYR A 1 44 ? -5.769 -9.613 -0.281 1.00 97.62 44 A 1 ATOM 342 C CA . TYR A 1 44 ? -6.423 -10.063 0.949 1.00 97.45 44 A 1 ATOM 343 C C . TYR A 1 44 ? -7.018 -11.469 0.820 1.00 97.15 44 A 1 ATOM 344 O O . TYR A 1 44 ? -6.885 -12.263 1.746 1.00 96.65 44 A 1 ATOM 345 C CB . TYR A 1 44 ? -7.478 -9.043 1.383 1.00 97.51 44 A 1 ATOM 346 C CG . TYR A 1 44 ? -6.885 -7.903 2.182 1.00 97.52 44 A 1 ATOM 347 C CD1 . TYR A 1 44 ? -6.538 -8.116 3.530 1.00 96.02 44 A 1 ATOM 348 C CD2 . TYR A 1 44 ? -6.661 -6.647 1.591 1.00 96.13 44 A 1 ATOM 349 C CE1 . TYR A 1 44 ? -5.973 -7.079 4.289 1.00 95.36 44 A 1 ATOM 350 C CE2 . TYR A 1 44 ? -6.093 -5.605 2.347 1.00 95.42 44 A 1 ATOM 351 C CZ . TYR A 1 44 ? -5.749 -5.820 3.700 1.00 96.24 44 A 1 ATOM 352 O OH . TYR A 1 44 ? -5.202 -4.822 4.436 1.00 94.56 44 A 1 ATOM 353 N N . ILE A 1 45 ? -7.587 -11.838 -0.333 1.00 97.25 45 A 1 ATOM 354 C CA . ILE A 1 45 ? -8.032 -13.216 -0.600 1.00 96.89 45 A 1 ATOM 355 C C . ILE A 1 45 ? -6.853 -14.195 -0.498 1.00 96.46 45 A 1 ATOM 356 O O . ILE A 1 45 ? -6.977 -15.253 0.120 1.00 96.13 45 A 1 ATOM 357 C CB . ILE A 1 45 ? -8.729 -13.310 -1.978 1.00 96.93 45 A 1 ATOM 358 C CG1 . ILE A 1 45 ? -10.078 -12.557 -1.953 1.00 95.71 45 A 1 ATOM 359 C CG2 . ILE A 1 45 ? -8.952 -14.774 -2.404 1.00 95.58 45 A 1 ATOM 360 C CD1 . ILE A 1 45 ? -10.720 -12.360 -3.331 1.00 92.47 45 A 1 ATOM 361 N N . ASP A 1 46 ? -5.701 -13.848 -1.083 1.00 96.99 46 A 1 ATOM 362 C CA . ASP A 1 46 ? -4.501 -14.684 -1.014 1.00 96.56 46 A 1 ATOM 363 C C . ASP A 1 46 ? -3.982 -14.802 0.424 1.00 96.16 46 A 1 ATOM 364 O O . ASP A 1 46 ? -3.603 -15.895 0.847 1.00 95.52 46 A 1 ATOM 365 C CB . ASP A 1 46 ? -3.412 -14.129 -1.946 1.00 96.26 46 A 1 ATOM 366 C CG . ASP A 1 46 ? -3.721 -14.295 -3.440 1.00 90.34 46 A 1 ATOM 367 O OD1 . ASP A 1 46 ? -4.572 -15.150 -3.796 1.00 85.69 46 A 1 ATOM 368 O OD2 . ASP A 1 46 ? -3.056 -13.591 -4.234 1.00 84.93 46 A 1 ATOM 369 N N . ARG A 1 47 ? -4.021 -13.714 1.203 1.00 96.69 47 A 1 ATOM 370 C CA . ARG A 1 47 ? -3.681 -13.723 2.633 1.00 96.21 47 A 1 ATOM 371 C C . ARG A 1 47 ? -4.562 -14.699 3.413 1.00 95.63 47 A 1 ATOM 372 O O . ARG A 1 47 ? -4.024 -15.558 4.110 1.00 95.05 47 A 1 ATOM 373 C CB . ARG A 1 47 ? -3.780 -12.294 3.185 1.00 96.05 47 A 1 ATOM 374 C CG . ARG A 1 47 ? -3.357 -12.210 4.656 1.00 94.83 47 A 1 ATOM 375 C CD . ARG A 1 47 ? -3.478 -10.772 5.171 1.00 92.50 47 A 1 ATOM 376 N NE . ARG A 1 47 ? -3.095 -10.689 6.588 1.00 87.05 47 A 1 ATOM 377 C CZ . ARG A 1 47 ? -3.880 -10.873 7.641 1.00 84.13 47 A 1 ATOM 378 N NH1 . ARG A 1 47 ? -5.169 -11.091 7.536 1.00 78.05 47 A 1 ATOM 379 N NH2 . ARG A 1 47 ? -3.354 -10.839 8.828 1.00 76.84 47 A 1 ATOM 380 N N . GLU A 1 48 ? -5.880 -14.613 3.258 1.00 95.08 48 A 1 ATOM 381 C CA . GLU A 1 48 ? -6.827 -15.505 3.946 1.00 94.13 48 A 1 ATOM 382 C C . GLU A 1 48 ? -6.640 -16.972 3.530 1.00 93.93 48 A 1 ATOM 383 O O . GLU A 1 48 ? -6.649 -17.873 4.370 1.00 92.89 48 A 1 ATOM 384 C CB . GLU A 1 48 ? -8.272 -15.058 3.664 1.00 93.66 48 A 1 ATOM 385 C CG . GLU A 1 48 ? -8.636 -13.712 4.322 1.00 87.65 48 A 1 ATOM 386 C CD . GLU A 1 48 ? -8.402 -13.697 5.837 1.00 82.99 48 A 1 ATOM 387 O OE1 . GLU A 1 48 ? -7.747 -12.747 6.321 1.00 73.93 48 A 1 ATOM 388 O OE2 . GLU A 1 48 ? -8.842 -14.663 6.493 1.00 74.07 48 A 1 ATOM 389 N N . ARG A 1 49 ? -6.372 -17.245 2.248 1.00 94.81 49 A 1 ATOM 390 C CA . ARG A 1 49 ? -6.050 -18.600 1.770 1.00 94.13 49 A 1 ATOM 391 C C . ARG A 1 49 ? -4.789 -19.156 2.424 1.00 94.33 49 A 1 ATOM 392 O O . ARG A 1 49 ? -4.778 -20.323 2.796 1.00 93.17 49 A 1 ATOM 393 C CB . ARG A 1 49 ? -5.870 -18.594 0.252 1.00 93.13 49 A 1 ATOM 394 C CG . ARG A 1 49 ? -7.209 -18.497 -0.477 1.00 83.14 49 A 1 ATOM 395 C CD . ARG A 1 49 ? -6.926 -18.269 -1.957 1.00 79.58 49 A 1 ATOM 396 N NE . ARG A 1 49 ? -8.163 -18.306 -2.761 1.00 71.25 49 A 1 ATOM 397 C CZ . ARG A 1 49 ? -8.244 -18.006 -4.041 1.00 66.39 49 A 1 ATOM 398 N NH1 . ARG A 1 49 ? -7.213 -17.581 -4.723 1.00 60.84 49 A 1 ATOM 399 N NH2 . ARG A 1 49 ? -9.378 -18.143 -4.662 1.00 55.28 49 A 1 ATOM 400 N N . ILE A 1 50 ? -3.736 -18.340 2.570 1.00 94.81 50 A 1 ATOM 401 C CA . ILE A 1 50 ? -2.491 -18.758 3.227 1.00 94.86 50 A 1 ATOM 402 C C . ILE A 1 50 ? -2.741 -19.045 4.712 1.00 94.42 50 A 1 ATOM 403 O O . ILE A 1 50 ? -2.240 -20.048 5.217 1.00 93.94 50 A 1 ATOM 404 C CB . ILE A 1 50 ? -1.383 -17.704 3.019 1.00 95.30 50 A 1 ATOM 405 C CG1 . ILE A 1 50 ? -0.957 -17.654 1.533 1.00 94.56 50 A 1 ATOM 406 C CG2 . ILE A 1 50 ? -0.146 -18.015 3.887 1.00 94.38 50 A 1 ATOM 407 C CD1 . ILE A 1 50 ? -0.202 -16.371 1.173 1.00 91.87 50 A 1 ATOM 408 N N . LEU A 1 51 ? -3.531 -18.219 5.396 1.00 94.02 51 A 1 ATOM 409 C CA . LEU A 1 51 ? -3.902 -18.421 6.802 1.00 93.31 51 A 1 ATOM 410 C C . LEU A 1 51 ? -4.750 -19.684 7.019 1.00 93.21 51 A 1 ATOM 411 O O . LEU A 1 51 ? -4.662 -20.294 8.083 1.00 92.11 51 A 1 ATOM 412 C CB . LEU A 1 51 ? -4.655 -17.180 7.310 1.00 92.98 51 A 1 ATOM 413 C CG . LEU A 1 51 ? -3.771 -15.933 7.505 1.00 90.89 51 A 1 ATOM 414 C CD1 . LEU A 1 51 ? -4.659 -14.733 7.835 1.00 89.25 51 A 1 ATOM 415 C CD2 . LEU A 1 51 ? -2.769 -16.112 8.650 1.00 89.19 51 A 1 ATOM 416 N N . ALA A 1 52 ? -5.526 -20.110 6.018 1.00 93.35 52 A 1 ATOM 417 C CA . ALA A 1 52 ? -6.311 -21.344 6.058 1.00 92.61 52 A 1 ATOM 418 C C . ALA A 1 52 ? -5.480 -22.621 5.794 1.00 93.26 52 A 1 ATOM 419 O O . ALA A 1 52 ? -5.997 -23.731 5.944 1.00 91.87 52 A 1 ATOM 420 C CB . ALA A 1 52 ? -7.465 -21.195 5.059 1.00 91.52 52 A 1 ATOM 421 N N . LEU A 1 53 ? -4.209 -22.505 5.386 1.00 93.29 53 A 1 ATOM 422 C CA . LEU A 1 53 ? -3.358 -23.669 5.135 1.00 93.35 53 A 1 ATOM 423 C C . LEU A 1 53 ? -2.929 -24.353 6.445 1.00 92.99 53 A 1 ATOM 424 O O . LEU A 1 53 ? -2.690 -23.688 7.457 1.00 91.88 53 A 1 ATOM 425 C CB . LEU A 1 53 ? -2.122 -23.286 4.299 1.00 93.41 53 A 1 ATOM 426 C CG . LEU A 1 53 ? -2.423 -22.851 2.855 1.00 91.42 53 A 1 ATOM 427 C CD1 . LEU A 1 53 ? -1.132 -22.373 2.184 1.00 87.66 53 A 1 ATOM 428 C CD2 . LEU A 1 53 ? -2.993 -23.989 2.009 1.00 87.22 53 A 1 ATOM 429 N N . PRO A 1 54 ? -2.729 -25.683 6.423 1.00 92.81 54 A 1 ATOM 430 C CA . PRO A 1 54 ? -2.232 -26.416 7.581 1.00 91.75 54 A 1 ATOM 431 C C . PRO A 1 54 ? -0.905 -25.846 8.100 1.00 90.88 54 A 1 ATOM 432 O O . PRO A 1 54 ? 0.035 -25.590 7.335 1.00 87.16 54 A 1 ATOM 433 C CB . PRO A 1 54 ? -2.084 -27.871 7.124 1.00 90.91 54 A 1 ATOM 434 C CG . PRO A 1 54 ? -3.082 -27.990 5.978 1.00 89.56 54 A 1 ATOM 435 C CD . PRO A 1 54 ? -3.038 -26.604 5.342 1.00 92.51 54 A 1 ATOM 436 N N . GLY A 1 55 ? -0.808 -25.664 9.410 1.00 89.92 55 A 1 ATOM 437 C CA . GLY A 1 55 ? 0.387 -25.156 10.088 1.00 88.73 55 A 1 ATOM 438 C C . GLY A 1 55 ? 0.638 -23.651 9.936 1.00 89.38 55 A 1 ATOM 439 O O . GLY A 1 55 ? 1.716 -23.191 10.320 1.00 85.88 55 A 1 ATOM 440 N N . ALA A 1 56 ? -0.315 -22.877 9.413 1.00 87.57 56 A 1 ATOM 441 C CA . ALA A 1 56 ? -0.208 -21.415 9.381 1.00 86.11 56 A 1 ATOM 442 C C . ALA A 1 56 ? -0.025 -20.829 10.794 1.00 85.60 56 A 1 ATOM 443 O O . ALA A 1 56 ? 0.886 -20.029 11.015 1.00 83.12 56 A 1 ATOM 444 C CB . ALA A 1 56 ? -1.448 -20.846 8.684 1.00 85.85 56 A 1 ATOM 445 N N . ASN A 1 57 ? -0.788 -21.330 11.768 1.00 88.12 57 A 1 ATOM 446 C CA . ASN A 1 57 ? -0.687 -20.931 13.181 1.00 86.90 57 A 1 ATOM 447 C C . ASN A 1 57 ? 0.636 -21.359 13.847 1.00 87.61 57 A 1 ATOM 448 O O . ASN A 1 57 ? 1.035 -20.789 14.853 1.00 84.89 57 A 1 ATOM 449 C CB . ASN A 1 57 ? -1.890 -21.518 13.942 1.00 84.46 57 A 1 ATOM 450 C CG . ASN A 1 57 ? -3.221 -20.963 13.464 1.00 77.16 57 A 1 ATOM 451 O OD1 . ASN A 1 57 ? -3.310 -19.909 12.862 1.00 70.12 57 A 1 ATOM 452 N ND2 . ASN A 1 57 ? -4.304 -21.665 13.711 1.00 68.43 57 A 1 ATOM 453 N N . GLU A 1 58 ? 1.338 -22.346 13.275 1.00 89.11 58 A 1 ATOM 454 C CA . GLU A 1 58 ? 2.648 -22.834 13.738 1.00 89.91 58 A 1 ATOM 455 C C . GLU A 1 58 ? 3.818 -22.110 13.043 1.00 89.72 58 A 1 ATOM 456 O O . GLU A 1 58 ? 4.977 -22.505 13.171 1.00 84.96 58 A 1 ATOM 457 C CB . GLU A 1 58 ? 2.746 -24.350 13.503 1.00 89.40 58 A 1 ATOM 458 C CG . GLU A 1 58 ? 1.691 -25.178 14.254 1.00 85.02 58 A 1 ATOM 459 C CD . GLU A 1 58 ? 1.646 -26.638 13.756 1.00 79.63 58 A 1 ATOM 460 O OE1 . GLU A 1 58 ? 0.651 -27.323 14.053 1.00 71.10 58 A 1 ATOM 461 O OE2 . GLU A 1 58 ? 2.555 -27.063 12.997 1.00 73.66 58 A 1 ATOM 462 N N . GLY A 1 59 ? 3.536 -21.083 12.235 1.00 88.83 59 A 1 ATOM 463 C CA . GLY A 1 59 ? 4.551 -20.323 11.499 1.00 87.54 59 A 1 ATOM 464 C C . GLY A 1 59 ? 5.084 -21.006 10.231 1.00 88.79 59 A 1 ATOM 465 O O . GLY A 1 59 ? 5.931 -20.429 9.542 1.00 86.04 59 A 1 ATOM 466 N N . LYS A 1 60 ? 4.578 -22.189 9.847 1.00 87.96 60 A 1 ATOM 467 C CA . LYS A 1 60 ? 4.997 -22.895 8.616 1.00 88.00 60 A 1 ATOM 468 C C . LYS A 1 60 ? 4.739 -22.076 7.346 1.00 88.62 60 A 1 ATOM 469 O O . LYS A 1 60 ? 5.472 -22.213 6.368 1.00 86.24 60 A 1 ATOM 470 C CB . LYS A 1 60 ? 4.295 -24.261 8.529 1.00 87.15 60 A 1 ATOM 471 C CG . LYS A 1 60 ? 4.833 -25.265 9.557 1.00 84.46 60 A 1 ATOM 472 C CD . LYS A 1 60 ? 4.022 -26.568 9.537 1.00 79.26 60 A 1 ATOM 473 C CE . LYS A 1 60 ? 4.645 -27.597 10.490 1.00 75.32 60 A 1 ATOM 474 N NZ . LYS A 1 60 ? 3.642 -28.586 10.969 1.00 66.70 60 A 1 ATOM 475 N N . GLN A 1 61 ? 3.741 -21.190 7.379 1.00 89.55 61 A 1 ATOM 476 C CA . GLN A 1 61 ? 3.365 -20.310 6.267 1.00 90.40 61 A 1 ATOM 477 C C . GLN A 1 61 ? 3.880 -18.867 6.427 1.00 91.99 61 A 1 ATOM 478 O O . GLN A 1 61 ? 3.472 -17.985 5.674 1.00 91.11 61 A 1 ATOM 479 C CB . GLN A 1 61 ? 1.843 -20.379 6.050 1.00 89.80 61 A 1 ATOM 480 C CG . GLN A 1 61 ? 1.314 -21.805 5.810 1.00 87.56 61 A 1 ATOM 481 C CD . GLN A 1 61 ? 1.963 -22.538 4.638 1.00 85.88 61 A 1 ATOM 482 O OE1 . GLN A 1 61 ? 2.496 -21.958 3.701 1.00 80.10 61 A 1 ATOM 483 N NE2 . GLN A 1 61 ? 1.953 -23.855 4.651 1.00 77.85 61 A 1 ATOM 484 N N . ALA A 1 62 ? 4.814 -18.606 7.352 1.00 92.95 62 A 1 ATOM 485 C CA . ALA A 1 62 ? 5.313 -17.255 7.625 1.00 92.69 62 A 1 ATOM 486 C C . ALA A 1 62 ? 5.940 -16.577 6.393 1.00 93.44 62 A 1 ATOM 487 O O . ALA A 1 62 ? 5.693 -15.400 6.136 1.00 92.59 62 A 1 ATOM 488 C CB . ALA A 1 62 ? 6.323 -17.336 8.777 1.00 91.32 62 A 1 ATOM 489 N N . LYS A 1 63 ? 6.726 -17.322 5.588 1.00 93.59 63 A 1 ATOM 490 C CA . LYS A 1 63 ? 7.353 -16.765 4.374 1.00 93.69 63 A 1 ATOM 491 C C . LYS A 1 63 ? 6.329 -16.272 3.337 1.00 94.60 63 A 1 ATOM 492 O O . LYS A 1 63 ? 6.432 -15.112 2.940 1.00 94.52 63 A 1 ATOM 493 C CB . LYS A 1 63 ? 8.350 -17.750 3.741 1.00 92.73 63 A 1 ATOM 494 C CG . LYS A 1 63 ? 9.637 -17.919 4.561 1.00 82.43 63 A 1 ATOM 495 C CD . LYS A 1 63 ? 10.612 -18.850 3.825 1.00 79.25 63 A 1 ATOM 496 C CE . LYS A 1 63 ? 11.903 -19.029 4.631 1.00 72.19 63 A 1 ATOM 497 N NZ . LYS A 1 63 ? 12.859 -19.952 3.962 1.00 64.22 63 A 1 ATOM 498 N N . PRO A 1 64 ? 5.362 -17.089 2.866 1.00 94.87 64 A 1 ATOM 499 C CA . PRO A 1 64 ? 4.357 -16.612 1.918 1.00 94.81 64 A 1 ATOM 500 C C . PRO A 1 64 ? 3.434 -15.551 2.528 1.00 95.78 64 A 1 ATOM 501 O O . PRO A 1 64 ? 3.100 -14.597 1.824 1.00 95.26 64 A 1 ATOM 502 C CB . PRO A 1 64 ? 3.598 -17.862 1.452 1.00 93.37 64 A 1 ATOM 503 C CG . PRO A 1 64 ? 3.796 -18.866 2.582 1.00 90.33 64 A 1 ATOM 504 C CD . PRO A 1 64 ? 5.187 -18.528 3.093 1.00 93.93 64 A 1 ATOM 505 N N . LEU A 1 65 ? 3.095 -15.646 3.817 1.00 94.85 65 A 1 ATOM 506 C CA . LEU A 1 65 ? 2.284 -14.640 4.505 1.00 94.67 65 A 1 ATOM 507 C C . LEU A 1 65 ? 2.980 -13.273 4.509 1.00 95.49 65 A 1 ATOM 508 O O . LEU A 1 65 ? 2.432 -12.316 3.968 1.00 95.81 65 A 1 ATOM 509 C CB . LEU A 1 65 ? 1.966 -15.139 5.926 1.00 93.86 65 A 1 ATOM 510 C CG . LEU A 1 65 ? 1.022 -14.216 6.713 1.00 88.45 65 A 1 ATOM 511 C CD1 . LEU A 1 65 ? -0.355 -14.124 6.048 1.00 85.84 65 A 1 ATOM 512 C CD2 . LEU A 1 65 ? 0.841 -14.775 8.127 1.00 85.93 65 A 1 ATOM 513 N N . ASN A 1 66 ? 4.234 -13.201 4.967 1.00 96.03 66 A 1 ATOM 514 C CA . ASN A 1 66 ? 5.027 -11.964 4.969 1.00 96.13 66 A 1 ATOM 515 C C . ASN A 1 66 ? 5.192 -11.371 3.560 1.00 96.81 66 A 1 ATOM 516 O O . ASN A 1 66 ? 5.232 -10.153 3.380 1.00 96.68 66 A 1 ATOM 517 C CB . ASN A 1 66 ? 6.417 -12.263 5.561 1.00 95.13 66 A 1 ATOM 518 C CG . ASN A 1 66 ? 6.405 -12.540 7.058 1.00 86.83 66 A 1 ATOM 519 O OD1 . ASN A 1 66 ? 5.436 -12.357 7.759 1.00 78.79 66 A 1 ATOM 520 N ND2 . ASN A 1 66 ? 7.513 -12.973 7.612 1.00 77.47 66 A 1 ATOM 521 N N . ALA A 1 67 ? 5.300 -12.220 2.526 1.00 96.85 67 A 1 ATOM 522 C CA . ALA A 1 67 ? 5.398 -11.752 1.143 1.00 96.92 67 A 1 ATOM 523 C C . ALA A 1 67 ? 4.107 -11.067 0.659 1.00 97.33 67 A 1 ATOM 524 O O . ALA A 1 67 ? 4.186 -10.086 -0.087 1.00 97.05 67 A 1 ATOM 525 C CB . ALA A 1 67 ? 5.781 -12.931 0.241 1.00 96.78 67 A 1 ATOM 526 N N . VAL A 1 68 ? 2.933 -11.568 1.064 1.00 96.69 68 A 1 ATOM 527 C CA . VAL A 1 68 ? 1.636 -10.949 0.746 1.00 96.59 68 A 1 ATOM 528 C C . VAL A 1 68 ? 1.427 -9.680 1.572 1.00 96.80 68 A 1 ATOM 529 O O . VAL A 1 68 ? 1.080 -8.650 0.996 1.00 97.08 68 A 1 ATOM 530 C CB . VAL A 1 68 ? 0.479 -11.948 0.925 1.00 96.10 68 A 1 ATOM 531 C CG1 . VAL A 1 68 ? -0.886 -11.280 0.730 1.00 86.51 68 A 1 ATOM 532 C CG2 . VAL A 1 68 ? 0.578 -13.064 -0.126 1.00 88.12 68 A 1 ATOM 533 N N . GLU A 1 69 ? 1.724 -9.701 2.865 1.00 96.85 69 A 1 ATOM 534 C CA . GLU A 1 69 ? 1.612 -8.530 3.743 1.00 96.50 69 A 1 ATOM 535 C C . GLU A 1 69 ? 2.492 -7.380 3.250 1.00 96.83 69 A 1 ATOM 536 O O . GLU A 1 69 ? 2.005 -6.268 3.052 1.00 96.69 69 A 1 ATOM 537 C CB . GLU A 1 69 ? 1.945 -8.922 5.190 1.00 95.87 69 A 1 ATOM 538 C CG . GLU A 1 69 ? 0.823 -9.794 5.773 1.00 89.81 69 A 1 ATOM 539 C CD . GLU A 1 69 ? 1.023 -10.205 7.235 1.00 83.86 69 A 1 ATOM 540 O OE1 . GLU A 1 69 ? -0.017 -10.512 7.869 1.00 74.14 69 A 1 ATOM 541 O OE2 . GLU A 1 69 ? 2.190 -10.250 7.682 1.00 74.71 69 A 1 ATOM 542 N N . LYS A 1 70 ? 3.741 -7.661 2.855 1.00 97.22 70 A 1 ATOM 543 C CA . LYS A 1 70 ? 4.615 -6.649 2.241 1.00 97.25 70 A 1 ATOM 544 C C . LYS A 1 70 ? 4.039 -6.054 0.951 1.00 97.28 70 A 1 ATOM 545 O O . LYS A 1 70 ? 4.270 -4.879 0.650 1.00 96.97 70 A 1 ATOM 546 C CB . LYS A 1 70 ? 5.995 -7.281 2.008 1.00 97.29 70 A 1 ATOM 547 C CG . LYS A 1 70 ? 7.018 -6.242 1.540 1.00 87.77 70 A 1 ATOM 548 C CD . LYS A 1 70 ? 8.421 -6.848 1.484 1.00 83.02 70 A 1 ATOM 549 C CE . LYS A 1 70 ? 9.424 -5.753 1.103 1.00 74.57 70 A 1 ATOM 550 N NZ . LYS A 1 70 ? 10.821 -6.240 1.160 1.00 66.45 70 A 1 ATOM 551 N N . LYS A 1 71 ? 3.311 -6.833 0.141 1.00 96.76 71 A 1 ATOM 552 C CA . LYS A 1 71 ? 2.632 -6.305 -1.058 1.00 96.50 71 A 1 ATOM 553 C C . LYS A 1 71 ? 1.466 -5.396 -0.678 1.00 96.44 71 A 1 ATOM 554 O O . LYS A 1 71 ? 1.288 -4.375 -1.342 1.00 96.09 71 A 1 ATOM 555 C CB . LYS A 1 71 ? 2.135 -7.437 -1.964 1.00 97.19 71 A 1 ATOM 556 C CG . LYS A 1 71 ? 3.256 -8.188 -2.693 1.00 95.26 71 A 1 ATOM 557 C CD . LYS A 1 71 ? 2.657 -9.416 -3.390 1.00 92.36 71 A 1 ATOM 558 C CE . LYS A 1 71 ? 3.740 -10.274 -4.051 1.00 88.26 71 A 1 ATOM 559 N NZ . LYS A 1 71 ? 3.160 -11.525 -4.607 1.00 79.75 71 A 1 ATOM 560 N N . ILE A 1 72 ? 0.709 -5.738 0.362 1.00 97.59 72 A 1 ATOM 561 C CA . ILE A 1 72 ? -0.373 -4.911 0.909 1.00 97.19 72 A 1 ATOM 562 C C . ILE A 1 72 ? 0.198 -3.593 1.446 1.00 96.60 72 A 1 ATOM 563 O O . ILE A 1 72 ? -0.255 -2.531 1.027 1.00 96.31 72 A 1 ATOM 564 C CB . ILE A 1 72 ? -1.173 -5.697 1.978 1.00 97.39 72 A 1 ATOM 565 C CG1 . ILE A 1 72 ? -1.929 -6.878 1.318 1.00 97.23 72 A 1 ATOM 566 C CG2 . ILE A 1 72 ? -2.155 -4.772 2.715 1.00 97.08 72 A 1 ATOM 567 C CD1 . ILE A 1 72 ? -2.511 -7.891 2.308 1.00 96.30 72 A 1 ATOM 568 N N . ASP A 1 73 ? 1.264 -3.630 2.246 1.00 96.94 73 A 1 ATOM 569 C CA . ASP A 1 73 ? 1.914 -2.435 2.800 1.00 96.50 73 A 1 ATOM 570 C C . ASP A 1 73 ? 2.465 -1.506 1.713 1.00 96.13 73 A 1 ATOM 571 O O . ASP A 1 73 ? 2.295 -0.284 1.756 1.00 95.55 73 A 1 ATOM 572 C CB . ASP A 1 73 ? 3.081 -2.848 3.705 1.00 95.71 73 A 1 ATOM 573 C CG . ASP A 1 73 ? 2.658 -3.559 4.988 1.00 84.71 73 A 1 ATOM 574 O OD1 . ASP A 1 73 ? 1.473 -3.433 5.361 1.00 77.25 73 A 1 ATOM 575 O OD2 . ASP A 1 73 ? 3.556 -4.208 5.571 1.00 77.59 73 A 1 ATOM 576 N N . ASN A 1 74 ? 3.111 -2.072 0.687 1.00 96.30 74 A 1 ATOM 577 C CA . ASN A 1 74 ? 3.593 -1.300 -0.458 1.00 95.76 74 A 1 ATOM 578 C C . ASN A 1 74 ? 2.438 -0.653 -1.231 1.00 95.01 74 A 1 ATOM 579 O O . ASN A 1 74 ? 2.563 0.474 -1.714 1.00 94.02 74 A 1 ATOM 580 C CB . ASN A 1 74 ? 4.397 -2.222 -1.387 1.00 96.08 74 A 1 ATOM 581 C CG . ASN A 1 74 ? 5.782 -2.558 -0.864 1.00 92.16 74 A 1 ATOM 582 O OD1 . ASN A 1 74 ? 6.409 -1.849 -0.106 1.00 86.45 74 A 1 ATOM 583 N ND2 . ASN A 1 74 ? 6.356 -3.643 -1.325 1.00 86.22 74 A 1 ATOM 584 N N . PHE A 1 75 ? 1.314 -1.354 -1.364 1.00 95.86 75 A 1 ATOM 585 C CA . PHE A 1 75 ? 0.118 -0.825 -2.008 1.00 95.20 75 A 1 ATOM 586 C C . PHE A 1 75 ? -0.477 0.327 -1.186 1.00 94.73 75 A 1 ATOM 587 O O . PHE A 1 75 ? -0.666 1.420 -1.724 1.00 93.57 75 A 1 ATOM 588 C CB . PHE A 1 75 ? -0.882 -1.967 -2.231 1.00 95.17 75 A 1 ATOM 589 C CG . PHE A 1 75 ? -2.061 -1.576 -3.090 1.00 95.67 75 A 1 ATOM 590 C CD1 . PHE A 1 75 ? -3.088 -0.774 -2.565 1.00 93.41 75 A 1 ATOM 591 C CD2 . PHE A 1 75 ? -2.125 -2.010 -4.430 1.00 93.70 75 A 1 ATOM 592 C CE1 . PHE A 1 75 ? -4.167 -0.395 -3.381 1.00 92.68 75 A 1 ATOM 593 C CE2 . PHE A 1 75 ? -3.209 -1.638 -5.239 1.00 92.75 75 A 1 ATOM 594 C CZ . PHE A 1 75 ? -4.227 -0.823 -4.715 1.00 93.81 75 A 1 ATOM 595 N N . ALA A 1 76 ? -0.670 0.132 0.113 1.00 94.94 76 A 1 ATOM 596 C CA . ALA A 1 76 ? -1.157 1.148 1.038 1.00 94.30 76 A 1 ATOM 597 C C . ALA A 1 76 ? -0.269 2.401 1.022 1.00 93.50 76 A 1 ATOM 598 O O . ALA A 1 76 ? -0.756 3.517 0.853 1.00 92.65 76 A 1 ATOM 599 C CB . ALA A 1 76 ? -1.211 0.528 2.438 1.00 94.42 76 A 1 ATOM 600 N N . SER A 1 77 ? 1.051 2.221 1.066 1.00 92.67 77 A 1 ATOM 601 C CA . SER A 1 77 ? 2.024 3.318 1.004 1.00 91.36 77 A 1 ATOM 602 C C . SER A 1 77 ? 1.978 4.080 -0.323 1.00 90.23 77 A 1 ATOM 603 O O . SER A 1 77 ? 2.129 5.302 -0.349 1.00 88.94 77 A 1 ATOM 604 C CB . SER A 1 77 ? 3.442 2.772 1.193 1.00 90.73 77 A 1 ATOM 605 O OG . SER A 1 77 ? 3.582 2.142 2.447 1.00 80.03 77 A 1 ATOM 606 N N . LYS A 1 78 ? 1.779 3.374 -1.443 1.00 92.41 78 A 1 ATOM 607 C CA . LYS A 1 78 ? 1.680 3.981 -2.779 1.00 91.61 78 A 1 ATOM 608 C C . LYS A 1 78 ? 0.472 4.909 -2.891 1.00 91.38 78 A 1 ATOM 609 O O . LYS A 1 78 ? 0.601 5.988 -3.463 1.00 90.63 78 A 1 ATOM 610 C CB . LYS A 1 78 ? 1.638 2.870 -3.840 1.00 91.45 78 A 1 ATOM 611 C CG . LYS A 1 78 ? 1.557 3.437 -5.267 1.00 88.53 78 A 1 ATOM 612 C CD . LYS A 1 78 ? 1.368 2.322 -6.303 1.00 86.26 78 A 1 ATOM 613 C CE . LYS A 1 78 ? 1.126 2.972 -7.669 1.00 80.45 78 A 1 ATOM 614 N NZ . LYS A 1 78 ? 0.504 2.028 -8.632 1.00 74.46 78 A 1 ATOM 615 N N . PHE A 1 79 ? -0.671 4.488 -2.367 1.00 92.61 79 A 1 ATOM 616 C CA . PHE A 1 79 ? -1.934 5.224 -2.468 1.00 92.46 79 A 1 ATOM 617 C C . PHE A 1 79 ? -2.242 6.081 -1.230 1.00 91.86 79 A 1 ATOM 618 O O . PHE A 1 79 ? -3.223 6.813 -1.236 1.00 89.41 79 A 1 ATOM 619 C CB . PHE A 1 79 ? -3.052 4.234 -2.809 1.00 93.28 79 A 1 ATOM 620 C CG . PHE A 1 79 ? -2.942 3.659 -4.213 1.00 93.64 79 A 1 ATOM 621 C CD1 . PHE A 1 79 ? -3.342 4.430 -5.321 1.00 91.02 79 A 1 ATOM 622 C CD2 . PHE A 1 79 ? -2.441 2.364 -4.418 1.00 91.65 79 A 1 ATOM 623 C CE1 . PHE A 1 79 ? -3.246 3.905 -6.621 1.00 90.57 79 A 1 ATOM 624 C CE2 . PHE A 1 79 ? -2.344 1.838 -5.722 1.00 91.05 79 A 1 ATOM 625 C CZ . PHE A 1 79 ? -2.749 2.608 -6.821 1.00 91.83 79 A 1 ATOM 626 N N . GLY A 1 80 ? -1.393 6.045 -0.196 1.00 91.13 80 A 1 ATOM 627 C CA . GLY A 1 80 ? -1.612 6.791 1.048 1.00 90.18 80 A 1 ATOM 628 C C . GLY A 1 80 ? -2.852 6.320 1.817 1.00 90.83 80 A 1 ATOM 629 O O . GLY A 1 80 ? -3.540 7.146 2.400 1.00 88.77 80 A 1 ATOM 630 N N . MET A 1 81 ? -3.158 5.023 1.767 1.00 90.13 81 A 1 ATOM 631 C CA . MET A 1 81 ? -4.362 4.450 2.376 1.00 92.15 81 A 1 ATOM 632 C C . MET A 1 81 ? -4.241 4.349 3.898 1.00 91.88 81 A 1 ATOM 633 O O . MET A 1 81 ? -3.169 4.039 4.424 1.00 90.42 81 A 1 ATOM 634 C CB . MET A 1 81 ? -4.664 3.071 1.778 1.00 92.61 81 A 1 ATOM 635 C CG . MET A 1 81 ? -4.922 3.135 0.272 1.00 91.60 81 A 1 ATOM 636 S SD . MET A 1 81 ? -5.350 1.545 -0.475 1.00 90.49 81 A 1 ATOM 637 C CE . MET A 1 81 ? -7.036 1.363 0.190 1.00 84.10 81 A 1 ATOM 638 N N . SER A 1 82 ? -5.350 4.571 4.586 1.00 91.53 82 A 1 ATOM 639 C CA . SER A 1 82 ? -5.465 4.381 6.033 1.00 91.40 82 A 1 ATOM 640 C C . SER A 1 82 ? -5.683 2.905 6.399 1.00 92.32 82 A 1 ATOM 641 O O . SER A 1 82 ? -5.977 2.066 5.547 1.00 92.92 82 A 1 ATOM 642 C CB . SER A 1 82 ? -6.594 5.260 6.579 1.00 89.67 82 A 1 ATOM 643 O OG . SER A 1 82 ? -7.850 4.723 6.227 1.00 86.91 82 A 1 ATOM 644 N N . MET A 1 83 ? -5.568 2.579 7.691 1.00 92.78 83 A 1 ATOM 645 C CA . MET A 1 83 ? -5.907 1.238 8.189 1.00 93.46 83 A 1 ATOM 646 C C . MET A 1 83 ? -7.390 0.902 7.980 1.00 94.52 83 A 1 ATOM 647 O O . MET A 1 83 ? -7.708 -0.243 7.660 1.00 94.65 83 A 1 ATOM 648 C CB . MET A 1 83 ? -5.539 1.117 9.672 1.00 92.06 83 A 1 ATOM 649 C CG . MET A 1 83 ? -4.021 1.089 9.887 1.00 83.15 83 A 1 ATOM 650 S SD . MET A 1 83 ? -3.145 -0.301 9.105 1.00 72.79 83 A 1 ATOM 651 C CE . MET A 1 83 ? -3.764 -1.695 10.086 1.00 62.94 83 A 1 ATOM 652 N N . ASP A 1 84 ? -8.278 1.896 8.084 1.00 93.18 84 A 1 ATOM 653 C CA . ASP A 1 84 ? -9.713 1.708 7.855 1.00 93.35 84 A 1 ATOM 654 C C . ASP A 1 84 ? -10.001 1.353 6.392 1.00 94.16 84 A 1 ATOM 655 O O . ASP A 1 84 ? -10.795 0.457 6.103 1.00 94.05 84 A 1 ATOM 656 C CB . ASP A 1 84 ? -10.473 2.979 8.263 1.00 92.25 84 A 1 ATOM 657 C CG . ASP A 1 84 ? -10.372 3.311 9.758 1.00 84.85 84 A 1 ATOM 658 O OD1 . ASP A 1 84 ? -10.030 2.404 10.551 1.00 76.54 84 A 1 ATOM 659 O OD2 . ASP A 1 84 ? -10.622 4.485 10.097 1.00 77.88 84 A 1 ATOM 660 N N . ASP A 1 85 ? -9.290 1.976 5.443 1.00 94.43 85 A 1 ATOM 661 C CA . ASP A 1 85 ? -9.393 1.637 4.018 1.00 94.08 85 A 1 ATOM 662 C C . ASP A 1 85 ? -8.926 0.204 3.729 1.00 95.29 85 A 1 ATOM 663 O O . ASP A 1 85 ? -9.529 -0.517 2.927 1.00 94.92 85 A 1 ATOM 664 C CB . ASP A 1 85 ? -8.540 2.605 3.194 1.00 92.85 85 A 1 ATOM 665 C CG . ASP A 1 85 ? -9.052 4.035 3.254 1.00 89.96 85 A 1 ATOM 666 O OD1 . ASP A 1 85 ? -10.255 4.226 2.965 1.00 85.04 85 A 1 ATOM 667 O OD2 . ASP A 1 85 ? -8.220 4.921 3.554 1.00 84.27 85 A 1 ATOM 668 N N . LEU A 1 86 ? -7.858 -0.238 4.401 1.00 94.81 86 A 1 ATOM 669 C CA . LEU A 1 86 ? -7.378 -1.613 4.302 1.00 95.60 86 A 1 ATOM 670 C C . LEU A 1 86 ? -8.379 -2.603 4.911 1.00 96.26 86 A 1 ATOM 671 O O . LEU A 1 86 ? -8.604 -3.672 4.338 1.00 96.31 86 A 1 ATOM 672 C CB . LEU A 1 86 ? -5.998 -1.730 4.966 1.00 95.53 86 A 1 ATOM 673 C CG . LEU A 1 86 ? -4.872 -0.935 4.280 1.00 94.22 86 A 1 ATOM 674 C CD1 . LEU A 1 86 ? -3.566 -1.182 5.030 1.00 91.89 86 A 1 ATOM 675 C CD2 . LEU A 1 86 ? -4.675 -1.337 2.815 1.00 91.52 86 A 1 ATOM 676 N N . GLN A 1 87 ? -9.037 -2.254 6.019 1.00 95.94 87 A 1 ATOM 677 C CA . GLN A 1 87 ? -10.110 -3.065 6.593 1.00 96.07 87 A 1 ATOM 678 C C . GLN A 1 87 ? -11.291 -3.218 5.627 1.00 96.26 87 A 1 ATOM 679 O O . GLN A 1 87 ? -11.806 -4.328 5.486 1.00 96.38 87 A 1 ATOM 680 C CB . GLN A 1 87 ? -10.588 -2.466 7.916 1.00 95.64 87 A 1 ATOM 681 C CG . GLN A 1 87 ? -9.588 -2.713 9.054 1.00 83.19 87 A 1 ATOM 682 C CD . GLN A 1 87 ? -10.064 -2.109 10.374 1.00 76.09 87 A 1 ATOM 683 O OE1 . GLN A 1 87 ? -11.120 -1.514 10.486 1.00 69.24 87 A 1 ATOM 684 N NE2 . GLN A 1 87 ? -9.322 -2.272 11.446 1.00 65.75 87 A 1 ATOM 685 N N . GLN A 1 88 ? -11.673 -2.163 4.898 1.00 96.26 88 A 1 ATOM 686 C CA . GLN A 1 88 ? -12.712 -2.275 3.862 1.00 95.85 88 A 1 ATOM 687 C C . GLN A 1 88 ? -12.330 -3.290 2.779 1.00 96.07 88 A 1 ATOM 688 O O . GLN A 1 88 ? -13.142 -4.134 2.398 1.00 95.97 88 A 1 ATOM 689 C CB . GLN A 1 88 ? -12.999 -0.902 3.226 1.00 95.35 88 A 1 ATOM 690 C CG . GLN A 1 88 ? -13.638 0.104 4.194 1.00 87.89 88 A 1 ATOM 691 C CD . GLN A 1 88 ? -14.981 -0.368 4.747 1.00 80.24 88 A 1 ATOM 692 O OE1 . GLN A 1 88 ? -15.776 -1.011 4.082 1.00 72.35 88 A 1 ATOM 693 N NE2 . GLN A 1 88 ? -15.276 -0.067 5.991 1.00 67.55 88 A 1 ATOM 694 N N . ALA A 1 89 ? -11.072 -3.286 2.324 1.00 96.29 89 A 1 ATOM 695 C CA . ALA A 1 89 ? -10.588 -4.283 1.367 1.00 96.12 89 A 1 ATOM 696 C C . ALA A 1 89 ? -10.635 -5.716 1.925 1.00 96.55 89 A 1 ATOM 697 O O . ALA A 1 89 ? -11.002 -6.647 1.201 1.00 96.58 89 A 1 ATOM 698 C CB . ALA A 1 89 ? -9.167 -3.904 0.937 1.00 96.12 89 A 1 ATOM 699 N N . ALA A 1 90 ? -10.300 -5.904 3.206 1.00 96.31 90 A 1 ATOM 700 C CA . ALA A 1 90 ? -10.386 -7.199 3.878 1.00 96.18 90 A 1 ATOM 701 C C . ALA A 1 90 ? -11.837 -7.696 3.995 1.00 96.11 90 A 1 ATOM 702 O O . ALA A 1 90 ? -12.106 -8.874 3.755 1.00 95.73 90 A 1 ATOM 703 C CB . ALA A 1 90 ? -9.710 -7.082 5.250 1.00 96.18 90 A 1 ATOM 704 N N . ILE A 1 91 ? -12.788 -6.804 4.299 1.00 96.22 91 A 1 ATOM 705 C CA . ILE A 1 91 ? -14.223 -7.126 4.360 1.00 96.08 91 A 1 ATOM 706 C C . ILE A 1 91 ? -14.735 -7.582 2.989 1.00 95.81 91 A 1 ATOM 707 O O . ILE A 1 91 ? -15.414 -8.611 2.897 1.00 95.69 91 A 1 ATOM 708 C CB . ILE A 1 91 ? -15.022 -5.918 4.905 1.00 96.41 91 A 1 ATOM 709 C CG1 . ILE A 1 91 ? -14.704 -5.698 6.402 1.00 95.11 91 A 1 ATOM 710 C CG2 . ILE A 1 91 ? -16.542 -6.115 4.718 1.00 94.62 91 A 1 ATOM 711 C CD1 . ILE A 1 91 ? -15.146 -4.329 6.932 1.00 90.03 91 A 1 ATOM 712 N N . GLU A 1 92 ? -14.386 -6.863 1.920 1.00 95.58 92 A 1 ATOM 713 C CA . GLU A 1 92 ? -14.770 -7.255 0.558 1.00 94.84 92 A 1 ATOM 714 C C . GLU A 1 92 ? -14.139 -8.591 0.139 1.00 95.16 92 A 1 ATOM 715 O O . GLU A 1 92 ? -14.802 -9.429 -0.476 1.00 94.92 92 A 1 ATOM 716 C CB . GLU A 1 92 ? -14.389 -6.140 -0.430 1.00 94.52 92 A 1 ATOM 717 C CG . GLU A 1 92 ? -15.263 -4.880 -0.281 1.00 85.22 92 A 1 ATOM 718 C CD . GLU A 1 92 ? -16.754 -5.184 -0.481 1.00 81.55 92 A 1 ATOM 719 O OE1 . GLU A 1 92 ? -17.567 -4.869 0.428 1.00 71.90 92 A 1 ATOM 720 O OE2 . GLU A 1 92 ? -17.091 -5.802 -1.505 1.00 72.82 92 A 1 ATOM 721 N N . ALA A 1 93 ? -12.886 -8.852 0.522 1.00 95.54 93 A 1 ATOM 722 C CA . ALA A 1 93 ? -12.247 -10.145 0.301 1.00 95.00 93 A 1 ATOM 723 C C . ALA A 1 93 ? -12.976 -11.284 1.029 1.00 94.70 93 A 1 ATOM 724 O O . ALA A 1 93 ? -13.226 -12.335 0.433 1.00 94.64 93 A 1 ATOM 725 C CB . ALA A 1 93 ? -10.786 -10.050 0.737 1.00 95.23 93 A 1 ATOM 726 N N . ALA A 1 94 ? -13.367 -11.074 2.290 1.00 95.10 94 A 1 ATOM 727 C CA . ALA A 1 94 ? -14.102 -12.066 3.069 1.00 93.94 94 A 1 ATOM 728 C C . ALA A 1 94 ? -15.482 -12.383 2.469 1.00 93.50 94 A 1 ATOM 729 O O . ALA A 1 94 ? -15.884 -13.552 2.446 1.00 92.48 94 A 1 ATOM 730 C CB . ALA A 1 94 ? -14.218 -11.567 4.511 1.00 93.52 94 A 1 ATOM 731 N N . LYS A 1 95 ? -16.194 -11.380 1.940 1.00 95.22 95 A 1 ATOM 732 C CA . LYS A 1 95 ? -17.447 -11.591 1.192 1.00 94.66 95 A 1 ATOM 733 C C . LYS A 1 95 ? -17.202 -12.440 -0.055 1.00 94.24 95 A 1 ATOM 734 O O . LYS A 1 95 ? -17.833 -13.482 -0.218 1.00 93.28 95 A 1 ATOM 735 C CB . LYS A 1 95 ? -18.073 -10.247 0.802 1.00 94.60 95 A 1 ATOM 736 C CG . LYS A 1 95 ? -18.637 -9.454 1.991 1.00 88.74 95 A 1 ATOM 737 C CD . LYS A 1 95 ? -19.073 -8.083 1.474 1.00 86.00 95 A 1 ATOM 738 C CE . LYS A 1 95 ? -19.493 -7.126 2.585 1.00 79.43 95 A 1 ATOM 739 N NZ . LYS A 1 95 ? -19.636 -5.753 2.035 1.00 72.10 95 A 1 ATOM 740 N N . ALA A 1 96 ? -16.207 -12.073 -0.870 1.00 94.51 96 A 1 ATOM 741 C CA . ALA A 1 96 ? -15.882 -12.787 -2.105 1.00 93.07 96 A 1 ATOM 742 C C . ALA A 1 96 ? -15.439 -14.252 -1.901 1.00 92.60 96 A 1 ATOM 743 O O . ALA A 1 96 ? -15.499 -15.045 -2.845 1.00 89.88 96 A 1 ATOM 744 C CB . ALA A 1 96 ? -14.788 -11.992 -2.826 1.00 93.00 96 A 1 ATOM 745 N N . ILE A 1 97 ? -14.952 -14.615 -0.712 1.00 93.66 97 A 1 ATOM 746 C CA . ILE A 1 97 ? -14.634 -16.003 -0.343 1.00 91.71 97 A 1 ATOM 747 C C . ILE A 1 97 ? -15.904 -16.768 0.050 1.00 90.38 97 A 1 ATOM 748 O O . ILE A 1 97 ? -16.025 -17.937 -0.300 1.00 87.84 97 A 1 ATOM 749 C CB . ILE A 1 97 ? -13.574 -16.035 0.783 1.00 91.53 97 A 1 ATOM 750 C CG1 . ILE A 1 97 ? -12.215 -15.520 0.255 1.00 89.03 97 A 1 ATOM 751 C CG2 . ILE A 1 97 ? -13.392 -17.455 1.353 1.00 88.39 97 A 1 ATOM 752 C CD1 . ILE A 1 97 ? -11.214 -15.184 1.370 1.00 84.05 97 A 1 ATOM 753 N N . LYS A 1 98 ? -16.851 -16.131 0.760 1.00 91.52 98 A 1 ATOM 754 C CA . LYS A 1 98 ? -18.101 -16.771 1.210 1.00 89.48 98 A 1 ATOM 755 C C . LYS A 1 98 ? -19.080 -17.044 0.069 1.00 87.69 98 A 1 ATOM 756 O O . LYS A 1 98 ? -19.843 -17.998 0.158 1.00 83.30 98 A 1 ATOM 757 C CB . LYS A 1 98 ? -18.786 -15.901 2.266 1.00 88.49 98 A 1 ATOM 758 C CG . LYS A 1 98 ? -18.054 -15.936 3.608 1.00 80.80 98 A 1 ATOM 759 C CD . LYS A 1 98 ? -18.766 -15.016 4.602 1.00 76.80 98 A 1 ATOM 760 C CE . LYS A 1 98 ? -18.041 -15.040 5.946 1.00 69.31 98 A 1 ATOM 761 N NZ . LYS A 1 98 ? -18.740 -14.191 6.945 1.00 61.25 98 A 1 ATOM 762 N N . ASP A 1 99 ? -19.031 -16.224 -0.983 1.00 89.06 99 A 1 ATOM 763 C CA . ASP A 1 99 ? -19.927 -16.320 -2.140 1.00 86.92 99 A 1 ATOM 764 C C . ASP A 1 99 ? -19.468 -17.362 -3.186 1.00 83.70 99 A 1 ATOM 765 O O . ASP A 1 99 ? -20.042 -17.439 -4.275 1.00 78.26 99 A 1 ATOM 766 C CB . ASP A 1 99 ? -20.090 -14.921 -2.761 1.00 86.62 99 A 1 ATOM 767 C CG . ASP A 1 99 ? -20.745 -13.884 -1.833 1.00 84.06 99 A 1 ATOM 768 O OD1 . ASP A 1 99 ? -21.477 -14.278 -0.897 1.00 79.25 99 A 1 ATOM 769 O OD2 . ASP A 1 99 ? -20.497 -12.680 -2.067 1.00 81.15 99 A 1 ATOM 770 N N . LYS A 1 100 ? -18.415 -18.144 -2.880 1.00 84.87 100 A 1 ATOM 771 C CA . LYS A 1 100 ? -17.879 -19.227 -3.725 1.00 80.36 100 A 1 ATOM 772 C C . LYS A 1 100 ? -18.051 -20.592 -3.087 1.00 74.64 100 A 1 ATOM 773 O O . LYS A 1 100 ? -18.303 -21.547 -3.839 1.00 66.33 100 A 1 ATOM 774 C CB . LYS A 1 100 ? -16.392 -19.010 -3.997 1.00 74.49 100 A 1 ATOM 775 C CG . LYS A 1 100 ? -16.143 -17.943 -5.049 1.00 67.56 100 A 1 ATOM 776 C CD . LYS A 1 100 ? -14.646 -17.899 -5.363 1.00 64.53 100 A 1 ATOM 777 C CE . LYS A 1 100 ? -14.407 -16.881 -6.459 1.00 60.00 100 A 1 ATOM 778 N NZ . LYS A 1 100 ? -12.990 -16.866 -6.872 1.00 52.64 100 A 1 ATOM 779 O OXT . LYS A 1 100 ? -17.830 -20.665 -1.848 1.00 60.21 100 A 1 #