# 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_acriia12 # _entry.id acriia12 # 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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n SER 2 1 n LYS 3 1 n THR 4 1 n MET 5 1 n TYR 6 1 n LYS 7 1 n ASN 8 1 n ASP 9 1 n VAL 10 1 n ILE 11 1 n GLU 12 1 n LEU 13 1 n ILE 14 1 n LYS 15 1 n ASN 16 1 n ALA 17 1 n LYS 18 1 n THR 19 1 n ASN 20 1 n ASN 21 1 n GLU 22 1 n GLU 23 1 n LEU 24 1 n LEU 25 1 n PHE 26 1 n THR 27 1 n SER 28 1 n VAL 29 1 n GLU 30 1 n ARG 31 1 n ASN 32 1 n THR 33 1 n ARG 34 1 n GLU 35 1 n ALA 36 1 n ALA 37 1 n THR 38 1 n GLN 39 1 n TYR 40 1 n PHE 41 1 n ARG 42 1 n CYS 43 1 n PRO 44 1 n GLU 45 1 n LYS 46 1 n HIS 47 1 n VAL 48 1 n SER 49 1 n ASP 50 1 n ALA 51 1 n GLY 52 1 n VAL 53 1 n TYR 54 1 n TYR 55 1 n GLY 56 1 n GLU 57 1 n ASP 58 1 n PHE 59 1 n GLU 60 1 n PHE 61 1 n ASP 62 1 n GLY 63 1 n PHE 64 1 n GLU 65 1 n ILE 66 1 n PHE 67 1 n GLU 68 1 n ASP 69 1 n ASP 70 1 n LEU 71 1 n ILE 72 1 n TYR 73 1 n THR 74 1 n ARG 75 1 n SER 76 1 n TYR 77 1 n ASP 78 1 n LYS 79 1 n GLU 80 1 n GLU 81 1 n LEU 82 1 n ASN 83 # _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 19:46:21)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 37.63 _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 32.87 1 1 A SER 2 2 36.61 1 2 A LYS 3 2 36.29 1 3 A THR 4 2 42.71 1 4 A MET 5 2 47.10 1 5 A TYR 6 2 43.32 1 6 A LYS 7 2 48.19 1 7 A ASN 8 2 53.94 1 8 A ASP 9 2 55.85 1 9 A VAL 10 2 58.97 1 10 A ILE 11 2 58.12 1 11 A GLU 12 2 61.37 1 12 A LEU 13 2 60.93 1 13 A ILE 14 2 60.13 1 14 A LYS 15 2 62.21 1 15 A ASN 16 2 64.63 1 16 A ALA 17 2 64.11 1 17 A LYS 18 2 56.77 1 18 A THR 19 2 70.56 1 19 A ASN 20 2 66.70 1 20 A ASN 21 2 59.45 1 21 A GLU 22 2 55.56 1 22 A GLU 23 2 48.17 1 23 A LEU 24 2 51.72 1 24 A LEU 25 2 42.98 1 25 A PHE 26 2 42.47 1 26 A THR 27 2 37.00 1 27 A SER 28 2 33.61 1 28 A VAL 29 2 34.10 1 29 A GLU 30 2 25.67 1 30 A ARG 31 2 25.39 1 31 A ASN 32 2 29.35 1 32 A THR 33 2 33.47 1 33 A ARG 34 2 29.31 1 34 A GLU 35 2 32.44 1 35 A ALA 36 2 34.29 1 36 A ALA 37 2 34.90 1 37 A THR 38 2 31.30 1 38 A GLN 39 2 25.74 1 39 A TYR 40 2 26.42 1 40 A PHE 41 2 29.62 1 41 A ARG 42 2 25.73 1 42 A CYS 43 2 30.00 1 43 A PRO 44 2 29.45 1 44 A GLU 45 2 24.36 1 45 A LYS 46 2 26.18 1 46 A HIS 47 2 22.38 1 47 A VAL 48 2 25.94 1 48 A SER 49 2 25.62 1 49 A ASP 50 2 22.99 1 50 A ALA 51 2 25.81 1 51 A GLY 52 2 28.00 1 52 A VAL 53 2 26.38 1 53 A TYR 54 2 26.14 1 54 A TYR 55 2 26.03 1 55 A GLY 56 2 35.10 1 56 A GLU 57 2 33.32 1 57 A ASP 58 2 35.91 1 58 A PHE 59 2 36.87 1 59 A GLU 60 2 34.18 1 60 A PHE 61 2 34.95 1 61 A ASP 62 2 35.09 1 62 A GLY 63 2 36.26 1 63 A PHE 64 2 33.78 1 64 A GLU 65 2 35.86 1 65 A ILE 66 2 39.37 1 66 A PHE 67 2 33.53 1 67 A GLU 68 2 33.67 1 68 A ASP 69 2 36.93 1 69 A ASP 70 2 37.25 1 70 A LEU 71 2 34.25 1 71 A ILE 72 2 38.27 1 72 A TYR 73 2 30.21 1 73 A THR 74 2 33.64 1 74 A ARG 75 2 26.72 1 75 A SER 76 2 31.91 1 76 A TYR 77 2 27.04 1 77 A ASP 78 2 32.17 1 78 A LYS 79 2 30.70 1 79 A GLU 80 2 35.65 1 80 A GLU 81 2 31.87 1 81 A LEU 82 2 30.06 1 82 A ASN 83 2 35.52 1 83 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n SER . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n MET . 5 A 5 A 6 1 n TYR . 6 A 6 A 7 1 n LYS . 7 A 7 A 8 1 n ASN . 8 A 8 A 9 1 n ASP . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n GLU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n LYS . 15 A 15 A 16 1 n ASN . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n LYS . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n ASN . 20 A 20 A 21 1 n ASN . 21 A 21 A 22 1 n GLU . 22 A 22 A 23 1 n GLU . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n LEU . 25 A 25 A 26 1 n PHE . 26 A 26 A 27 1 n THR . 27 A 27 A 28 1 n SER . 28 A 28 A 29 1 n VAL . 29 A 29 A 30 1 n GLU . 30 A 30 A 31 1 n ARG . 31 A 31 A 32 1 n ASN . 32 A 32 A 33 1 n THR . 33 A 33 A 34 1 n ARG . 34 A 34 A 35 1 n GLU . 35 A 35 A 36 1 n ALA . 36 A 36 A 37 1 n ALA . 37 A 37 A 38 1 n THR . 38 A 38 A 39 1 n GLN . 39 A 39 A 40 1 n TYR . 40 A 40 A 41 1 n PHE . 41 A 41 A 42 1 n ARG . 42 A 42 A 43 1 n CYS . 43 A 43 A 44 1 n PRO . 44 A 44 A 45 1 n GLU . 45 A 45 A 46 1 n LYS . 46 A 46 A 47 1 n HIS . 47 A 47 A 48 1 n VAL . 48 A 48 A 49 1 n SER . 49 A 49 A 50 1 n ASP . 50 A 50 A 51 1 n ALA . 51 A 51 A 52 1 n GLY . 52 A 52 A 53 1 n VAL . 53 A 53 A 54 1 n TYR . 54 A 54 A 55 1 n TYR . 55 A 55 A 56 1 n GLY . 56 A 56 A 57 1 n GLU . 57 A 57 A 58 1 n ASP . 58 A 58 A 59 1 n PHE . 59 A 59 A 60 1 n GLU . 60 A 60 A 61 1 n PHE . 61 A 61 A 62 1 n ASP . 62 A 62 A 63 1 n GLY . 63 A 63 A 64 1 n PHE . 64 A 64 A 65 1 n GLU . 65 A 65 A 66 1 n ILE . 66 A 66 A 67 1 n PHE . 67 A 67 A 68 1 n GLU . 68 A 68 A 69 1 n ASP . 69 A 69 A 70 1 n ASP . 70 A 70 A 71 1 n LEU . 71 A 71 A 72 1 n ILE . 72 A 72 A 73 1 n TYR . 73 A 73 A 74 1 n THR . 74 A 74 A 75 1 n ARG . 75 A 75 A 76 1 n SER . 76 A 76 A 77 1 n TYR . 77 A 77 A 78 1 n ASP . 78 A 78 A 79 1 n LYS . 79 A 79 A 80 1 n GLU . 80 A 80 A 81 1 n GLU . 81 A 81 A 82 1 n LEU . 82 A 82 A 83 1 n ASN . 83 A 83 # _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 ? 5.000 5.875 14.163 1.00 32.89 1 A 1 ATOM 2 C CA . MET A 1 1 ? 3.674 6.493 13.910 1.00 35.69 1 A 1 ATOM 3 C C . MET A 1 1 ? 2.846 5.541 13.055 1.00 37.82 1 A 1 ATOM 4 O O . MET A 1 1 ? 3.341 5.115 12.016 1.00 36.86 1 A 1 ATOM 5 C CB . MET A 1 1 ? 3.811 7.841 13.187 1.00 35.11 1 A 1 ATOM 6 C CG . MET A 1 1 ? 3.960 9.024 14.141 1.00 30.90 1 A 1 ATOM 7 S SD . MET A 1 1 ? 4.238 10.589 13.273 1.00 28.19 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.592 11.779 14.480 1.00 25.50 1 A 1 ATOM 9 N N . SER A 1 2 ? 1.630 5.166 13.475 1.00 36.48 2 A 1 ATOM 10 C CA . SER A 1 2 ? 0.709 4.384 12.636 1.00 37.83 2 A 1 ATOM 11 C C . SER A 1 2 ? 0.023 5.318 11.642 1.00 39.26 2 A 1 ATOM 12 O O . SER A 1 2 ? -0.533 6.333 12.059 1.00 37.69 2 A 1 ATOM 13 C CB . SER A 1 2 ? -0.334 3.656 13.495 1.00 36.06 2 A 1 ATOM 14 O OG . SER A 1 2 ? -0.951 4.547 14.400 1.00 32.33 2 A 1 ATOM 15 N N . LYS A 1 3 ? 0.038 4.992 10.333 1.00 38.85 3 A 1 ATOM 16 C CA . LYS A 1 3 ? -0.680 5.752 9.305 1.00 40.32 3 A 1 ATOM 17 C C . LYS A 1 3 ? -1.819 4.887 8.776 1.00 41.71 3 A 1 ATOM 18 O O . LYS A 1 3 ? -1.581 3.790 8.275 1.00 40.68 3 A 1 ATOM 19 C CB . LYS A 1 3 ? 0.308 6.224 8.219 1.00 38.57 3 A 1 ATOM 20 C CG . LYS A 1 3 ? -0.309 7.292 7.298 1.00 35.02 3 A 1 ATOM 21 C CD . LYS A 1 3 ? 0.739 7.850 6.321 1.00 32.96 3 A 1 ATOM 22 C CE . LYS A 1 3 ? 0.121 8.960 5.462 1.00 30.57 3 A 1 ATOM 23 N NZ . LYS A 1 3 ? 1.109 9.573 4.534 1.00 27.93 3 A 1 ATOM 24 N N . THR A 1 4 ? -3.049 5.377 8.920 1.00 43.89 4 A 1 ATOM 25 C CA . THR A 1 4 ? -4.236 4.774 8.304 1.00 45.07 4 A 1 ATOM 26 C C . THR A 1 4 ? -4.341 5.295 6.878 1.00 46.17 4 A 1 ATOM 27 O O . THR A 1 4 ? -4.276 6.506 6.667 1.00 44.95 4 A 1 ATOM 28 C CB . THR A 1 4 ? -5.502 5.114 9.107 1.00 42.91 4 A 1 ATOM 29 O OG1 . THR A 1 4 ? -5.304 4.781 10.464 1.00 38.55 4 A 1 ATOM 30 C CG2 . THR A 1 4 ? -6.720 4.336 8.620 1.00 37.46 4 A 1 ATOM 31 N N . MET A 1 5 ? -4.450 4.392 5.897 1.00 48.94 5 A 1 ATOM 32 C CA . MET A 1 5 ? -4.703 4.752 4.504 1.00 50.46 5 A 1 ATOM 33 C C . MET A 1 5 ? -6.154 4.424 4.167 1.00 51.44 5 A 1 ATOM 34 O O . MET A 1 5 ? -6.640 3.344 4.506 1.00 50.53 5 A 1 ATOM 35 C CB . MET A 1 5 ? -3.733 4.035 3.560 1.00 48.88 5 A 1 ATOM 36 C CG . MET A 1 5 ? -2.291 4.500 3.782 1.00 44.34 5 A 1 ATOM 37 S SD . MET A 1 5 ? -1.101 3.931 2.547 1.00 42.06 5 A 1 ATOM 38 C CE . MET A 1 5 ? -1.720 4.834 1.106 1.00 40.16 5 A 1 ATOM 39 N N . TYR A 1 6 ? -6.844 5.347 3.502 1.00 49.00 6 A 1 ATOM 40 C CA . TYR A 1 6 ? -8.211 5.145 3.045 1.00 50.57 6 A 1 ATOM 41 C C . TYR A 1 6 ? -8.213 4.485 1.662 1.00 52.00 6 A 1 ATOM 42 O O . TYR A 1 6 ? -7.278 4.641 0.873 1.00 50.95 6 A 1 ATOM 43 C CB . TYR A 1 6 ? -8.961 6.484 3.053 1.00 48.08 6 A 1 ATOM 44 C CG . TYR A 1 6 ? -9.121 7.077 4.446 1.00 43.64 6 A 1 ATOM 45 C CD1 . TYR A 1 6 ? -10.190 6.661 5.266 1.00 40.62 6 A 1 ATOM 46 C CD2 . TYR A 1 6 ? -8.193 8.020 4.930 1.00 39.52 6 A 1 ATOM 47 C CE1 . TYR A 1 6 ? -10.337 7.190 6.563 1.00 36.53 6 A 1 ATOM 48 C CE2 . TYR A 1 6 ? -8.336 8.548 6.230 1.00 36.82 6 A 1 ATOM 49 C CZ . TYR A 1 6 ? -9.412 8.134 7.046 1.00 36.37 6 A 1 ATOM 50 O OH . TYR A 1 6 ? -9.552 8.647 8.298 1.00 35.80 6 A 1 ATOM 51 N N . LYS A 1 7 ? -9.311 3.788 1.333 1.00 51.54 7 A 1 ATOM 52 C CA . LYS A 1 7 ? -9.517 3.117 0.038 1.00 52.80 7 A 1 ATOM 53 C C . LYS A 1 7 ? -9.135 3.991 -1.163 1.00 54.57 7 A 1 ATOM 54 O O . LYS A 1 7 ? -8.427 3.533 -2.060 1.00 53.33 7 A 1 ATOM 55 C CB . LYS A 1 7 ? -10.991 2.678 -0.018 1.00 51.09 7 A 1 ATOM 56 C CG . LYS A 1 7 ? -11.344 1.940 -1.308 1.00 46.25 7 A 1 ATOM 57 C CD . LYS A 1 7 ? -12.803 1.460 -1.267 1.00 44.52 7 A 1 ATOM 58 C CE . LYS A 1 7 ? -13.143 0.714 -2.556 1.00 41.35 7 A 1 ATOM 59 N NZ . LYS A 1 7 ? -14.497 0.127 -2.500 1.00 38.23 7 A 1 ATOM 60 N N . ASN A 1 8 ? -9.541 5.262 -1.165 1.00 56.50 8 A 1 ATOM 61 C CA . ASN A 1 8 ? -9.232 6.190 -2.258 1.00 57.78 8 A 1 ATOM 62 C C . ASN A 1 8 ? -7.726 6.455 -2.415 1.00 58.99 8 A 1 ATOM 63 O O . ASN A 1 8 ? -7.247 6.539 -3.543 1.00 57.23 8 A 1 ATOM 64 C CB . ASN A 1 8 ? -10.002 7.502 -2.034 1.00 55.70 8 A 1 ATOM 65 C CG . ASN A 1 8 ? -11.500 7.347 -2.245 1.00 50.85 8 A 1 ATOM 66 O OD1 . ASN A 1 8 ? -11.977 6.450 -2.912 1.00 48.01 8 A 1 ATOM 67 N ND2 . ASN A 1 8 ? -12.295 8.229 -1.687 1.00 46.46 8 A 1 ATOM 68 N N . ASP A 1 9 ? -6.981 6.522 -1.311 1.00 58.95 9 A 1 ATOM 69 C CA . ASP A 1 9 ? -5.526 6.700 -1.346 1.00 59.79 9 A 1 ATOM 70 C C . ASP A 1 9 ? -4.845 5.464 -1.951 1.00 60.67 9 A 1 ATOM 71 O O . ASP A 1 9 ? -3.910 5.580 -2.742 1.00 59.74 9 A 1 ATOM 72 C CB . ASP A 1 9 ? -4.975 6.945 0.070 1.00 57.32 9 A 1 ATOM 73 C CG . ASP A 1 9 ? -5.572 8.151 0.804 1.00 52.77 9 A 1 ATOM 74 O OD1 . ASP A 1 9 ? -5.740 9.216 0.168 1.00 49.35 9 A 1 ATOM 75 O OD2 . ASP A 1 9 ? -5.827 8.005 2.023 1.00 48.20 9 A 1 ATOM 76 N N . VAL A 1 10 ? -5.354 4.258 -1.636 1.00 60.62 10 A 1 ATOM 77 C CA . VAL A 1 10 ? -4.861 2.991 -2.195 1.00 61.03 10 A 1 ATOM 78 C C . VAL A 1 10 ? -5.164 2.896 -3.693 1.00 62.07 10 A 1 ATOM 79 O O . VAL A 1 10 ? -4.283 2.558 -4.480 1.00 62.11 10 A 1 ATOM 80 C CB . VAL A 1 10 ? -5.456 1.790 -1.436 1.00 59.30 10 A 1 ATOM 81 C CG1 . VAL A 1 10 ? -4.916 0.462 -1.978 1.00 54.93 10 A 1 ATOM 82 C CG2 . VAL A 1 10 ? -5.115 1.859 0.059 1.00 52.76 10 A 1 ATOM 83 N N . ILE A 1 11 ? -6.373 3.264 -4.121 1.00 61.13 11 A 1 ATOM 84 C CA . ILE A 1 11 ? -6.765 3.306 -5.539 1.00 61.27 11 A 1 ATOM 85 C C . ILE A 1 11 ? -5.875 4.276 -6.327 1.00 62.22 11 A 1 ATOM 86 O O . ILE A 1 11 ? -5.460 3.972 -7.450 1.00 61.16 11 A 1 ATOM 87 C CB . ILE A 1 11 ? -8.260 3.682 -5.663 1.00 59.42 11 A 1 ATOM 88 C CG1 . ILE A 1 11 ? -9.148 2.530 -5.135 1.00 55.33 11 A 1 ATOM 89 C CG2 . ILE A 1 11 ? -8.643 4.016 -7.120 1.00 53.56 11 A 1 ATOM 90 C CD1 . ILE A 1 11 ? -10.618 2.916 -4.939 1.00 50.84 11 A 1 ATOM 91 N N . GLU A 1 12 ? -5.572 5.440 -5.770 1.00 64.57 12 A 1 ATOM 92 C CA . GLU A 1 12 ? -4.693 6.425 -6.408 1.00 65.82 12 A 1 ATOM 93 C C . GLU A 1 12 ? -3.256 5.892 -6.542 1.00 66.34 12 A 1 ATOM 94 O O . GLU A 1 12 ? -2.649 6.018 -7.610 1.00 66.00 12 A 1 ATOM 95 C CB . GLU A 1 12 ? -4.766 7.751 -5.629 1.00 64.78 12 A 1 ATOM 96 C CG . GLU A 1 12 ? -4.073 8.893 -6.386 1.00 60.29 12 A 1 ATOM 97 C CD . GLU A 1 12 ? -4.246 10.283 -5.738 1.00 57.12 12 A 1 ATOM 98 O OE1 . GLU A 1 12 ? -3.701 11.253 -6.322 1.00 54.14 12 A 1 ATOM 99 O OE2 . GLU A 1 12 ? -4.913 10.405 -4.687 1.00 53.24 12 A 1 ATOM 100 N N . LEU A 1 13 ? -2.740 5.209 -5.516 1.00 64.63 13 A 1 ATOM 101 C CA . LEU A 1 13 ? -1.435 4.545 -5.573 1.00 64.64 13 A 1 ATOM 102 C C . LEU A 1 13 ? -1.380 3.469 -6.661 1.00 65.50 13 A 1 ATOM 103 O O . LEU A 1 13 ? -0.430 3.449 -7.442 1.00 65.10 13 A 1 ATOM 104 C CB . LEU A 1 13 ? -1.101 3.926 -4.208 1.00 62.59 13 A 1 ATOM 105 C CG . LEU A 1 13 ? -0.675 4.941 -3.136 1.00 58.07 13 A 1 ATOM 106 C CD1 . LEU A 1 13 ? -0.549 4.208 -1.802 1.00 54.16 13 A 1 ATOM 107 C CD2 . LEU A 1 13 ? 0.676 5.580 -3.447 1.00 52.72 13 A 1 ATOM 108 N N . ILE A 1 14 ? -2.415 2.614 -6.764 1.00 62.70 14 A 1 ATOM 109 C CA . ILE A 1 14 ? -2.514 1.574 -7.798 1.00 62.69 14 A 1 ATOM 110 C C . ILE A 1 14 ? -2.524 2.198 -9.200 1.00 63.02 14 A 1 ATOM 111 O O . ILE A 1 14 ? -1.788 1.764 -10.091 1.00 61.91 14 A 1 ATOM 112 C CB . ILE A 1 14 ? -3.772 0.711 -7.548 1.00 61.23 14 A 1 ATOM 113 C CG1 . ILE A 1 14 ? -3.603 -0.160 -6.279 1.00 58.32 14 A 1 ATOM 114 C CG2 . ILE A 1 14 ? -4.066 -0.199 -8.747 1.00 56.72 14 A 1 ATOM 115 C CD1 . ILE A 1 14 ? -4.897 -0.826 -5.799 1.00 54.44 14 A 1 ATOM 116 N N . LYS A 1 15 ? -3.326 3.248 -9.413 1.00 66.12 15 A 1 ATOM 117 C CA . LYS A 1 15 ? -3.396 3.949 -10.705 1.00 66.41 15 A 1 ATOM 118 C C . LYS A 1 15 ? -2.058 4.583 -11.092 1.00 67.02 15 A 1 ATOM 119 O O . LYS A 1 15 ? -1.656 4.498 -12.255 1.00 66.37 15 A 1 ATOM 120 C CB . LYS A 1 15 ? -4.491 5.024 -10.656 1.00 64.73 15 A 1 ATOM 121 C CG . LYS A 1 15 ? -5.897 4.414 -10.732 1.00 61.24 15 A 1 ATOM 122 C CD . LYS A 1 15 ? -6.953 5.510 -10.554 1.00 59.86 15 A 1 ATOM 123 C CE . LYS A 1 15 ? -8.355 4.906 -10.634 1.00 55.88 15 A 1 ATOM 124 N NZ . LYS A 1 15 ? -9.403 5.916 -10.357 1.00 52.25 15 A 1 ATOM 125 N N . ASN A 1 16 ? -1.363 5.180 -10.134 1.00 67.31 16 A 1 ATOM 126 C CA . ASN A 1 16 ? -0.055 5.786 -10.355 1.00 67.62 16 A 1 ATOM 127 C C . ASN A 1 16 ? 1.006 4.728 -10.684 1.00 67.72 16 A 1 ATOM 128 O O . ASN A 1 16 ? 1.736 4.892 -11.659 1.00 66.56 16 A 1 ATOM 129 C CB . ASN A 1 16 ? 0.322 6.633 -9.129 1.00 66.52 16 A 1 ATOM 130 C CG . ASN A 1 16 ? -0.478 7.926 -9.036 1.00 62.88 16 A 1 ATOM 131 O OD1 . ASN A 1 16 ? -1.005 8.442 -10.011 1.00 60.07 16 A 1 ATOM 132 N ND2 . ASN A 1 16 ? -0.562 8.514 -7.866 1.00 58.33 16 A 1 ATOM 133 N N . ALA A 1 17 ? 1.030 3.608 -9.953 1.00 64.84 17 A 1 ATOM 134 C CA . ALA A 1 17 ? 1.928 2.488 -10.231 1.00 64.54 17 A 1 ATOM 135 C C . ALA A 1 17 ? 1.712 1.925 -11.641 1.00 64.75 17 A 1 ATOM 136 O O . ALA A 1 17 ? 2.661 1.796 -12.411 1.00 63.74 17 A 1 ATOM 137 C CB . ALA A 1 17 ? 1.711 1.416 -9.169 1.00 62.66 17 A 1 ATOM 138 N N . LYS A 1 18 ? 0.453 1.704 -12.044 1.00 62.48 18 A 1 ATOM 139 C CA . LYS A 1 18 ? 0.105 1.259 -13.399 1.00 62.62 18 A 1 ATOM 140 C C . LYS A 1 18 ? 0.564 2.245 -14.473 1.00 63.56 18 A 1 ATOM 141 O O . LYS A 1 18 ? 1.080 1.835 -15.510 1.00 62.91 18 A 1 ATOM 142 C CB . LYS A 1 18 ? -1.408 1.010 -13.462 1.00 60.49 18 A 1 ATOM 143 C CG . LYS A 1 18 ? -1.829 0.365 -14.790 1.00 54.73 18 A 1 ATOM 144 C CD . LYS A 1 18 ? -3.296 -0.076 -14.718 1.00 51.96 18 A 1 ATOM 145 C CE . LYS A 1 18 ? -3.659 -0.937 -15.933 1.00 48.13 18 A 1 ATOM 146 N NZ . LYS A 1 18 ? -4.873 -1.755 -15.665 1.00 44.05 18 A 1 ATOM 147 N N . THR A 1 19 ? 0.400 3.546 -14.236 1.00 69.27 19 A 1 ATOM 148 C CA . THR A 1 19 ? 0.826 4.601 -15.174 1.00 71.69 19 A 1 ATOM 149 C C . THR A 1 19 ? 2.347 4.630 -15.337 1.00 72.27 19 A 1 ATOM 150 O O . THR A 1 19 ? 2.843 4.851 -16.441 1.00 70.27 19 A 1 ATOM 151 C CB . THR A 1 19 ? 0.321 5.977 -14.712 1.00 71.86 19 A 1 ATOM 152 O OG1 . THR A 1 19 ? -1.085 5.954 -14.588 1.00 69.52 19 A 1 ATOM 153 C CG2 . THR A 1 19 ? 0.658 7.102 -15.698 1.00 69.04 19 A 1 ATOM 154 N N . ASN A 1 20 ? 3.081 4.356 -14.262 1.00 67.85 20 A 1 ATOM 155 C CA . ASN A 1 20 ? 4.543 4.325 -14.253 1.00 68.83 20 A 1 ATOM 156 C C . ASN A 1 20 ? 5.129 2.943 -14.603 1.00 69.00 20 A 1 ATOM 157 O O . ASN A 1 20 ? 6.348 2.792 -14.638 1.00 67.75 20 A 1 ATOM 158 C CB . ASN A 1 20 ? 5.017 4.828 -12.885 1.00 68.02 20 A 1 ATOM 159 C CG . ASN A 1 20 ? 4.655 6.278 -12.613 1.00 66.64 20 A 1 ATOM 160 O OD1 . ASN A 1 20 ? 4.513 7.115 -13.499 1.00 63.18 20 A 1 ATOM 161 N ND2 . ASN A 1 20 ? 4.507 6.629 -11.358 1.00 62.34 20 A 1 ATOM 162 N N . ASN A 1 21 ? 4.273 1.944 -14.908 1.00 63.43 21 A 1 ATOM 163 C CA . ASN A 1 21 ? 4.664 0.556 -15.156 1.00 63.36 21 A 1 ATOM 164 C C . ASN A 1 21 ? 5.459 -0.067 -13.981 1.00 63.25 21 A 1 ATOM 165 O O . ASN A 1 21 ? 6.428 -0.800 -14.173 1.00 61.37 21 A 1 ATOM 166 C CB . ASN A 1 21 ? 5.341 0.477 -16.533 1.00 61.96 21 A 1 ATOM 167 C CG . ASN A 1 21 ? 5.327 -0.922 -17.098 1.00 56.56 21 A 1 ATOM 168 O OD1 . ASN A 1 21 ? 4.291 -1.483 -17.400 1.00 53.72 21 A 1 ATOM 169 N ND2 . ASN A 1 21 ? 6.475 -1.513 -17.319 1.00 51.97 21 A 1 ATOM 170 N N . GLU A 1 22 ? 5.051 0.271 -12.756 1.00 59.29 22 A 1 ATOM 171 C CA . GLU A 1 22 ? 5.600 -0.249 -11.499 1.00 59.56 22 A 1 ATOM 172 C C . GLU A 1 22 ? 4.721 -1.394 -10.974 1.00 58.13 22 A 1 ATOM 173 O O . GLU A 1 22 ? 3.495 -1.357 -11.087 1.00 55.56 22 A 1 ATOM 174 C CB . GLU A 1 22 ? 5.710 0.882 -10.461 1.00 58.67 22 A 1 ATOM 175 C CG . GLU A 1 22 ? 6.743 1.958 -10.851 1.00 54.41 22 A 1 ATOM 176 C CD . GLU A 1 22 ? 6.777 3.175 -9.907 1.00 52.93 22 A 1 ATOM 177 O OE1 . GLU A 1 22 ? 7.750 3.960 -10.011 1.00 50.50 22 A 1 ATOM 178 O OE2 . GLU A 1 22 ? 5.818 3.372 -9.128 1.00 51.03 22 A 1 ATOM 179 N N . GLU A 1 23 ? 5.324 -2.422 -10.380 1.00 54.27 23 A 1 ATOM 180 C CA . GLU A 1 23 ? 4.616 -3.578 -9.824 1.00 53.85 23 A 1 ATOM 181 C C . GLU A 1 23 ? 4.348 -3.368 -8.326 1.00 53.72 23 A 1 ATOM 182 O O . GLU A 1 23 ? 5.259 -3.080 -7.545 1.00 51.64 23 A 1 ATOM 183 C CB . GLU A 1 23 ? 5.427 -4.845 -10.132 1.00 51.44 23 A 1 ATOM 184 C CG . GLU A 1 23 ? 4.607 -6.134 -9.982 1.00 45.60 23 A 1 ATOM 185 C CD . GLU A 1 23 ? 5.368 -7.388 -10.456 1.00 42.67 23 A 1 ATOM 186 O OE1 . GLU A 1 23 ? 4.710 -8.441 -10.620 1.00 40.38 23 A 1 ATOM 187 O OE2 . GLU A 1 23 ? 6.606 -7.314 -10.641 1.00 39.97 23 A 1 ATOM 188 N N . LEU A 1 24 ? 3.070 -3.481 -7.919 1.00 55.20 24 A 1 ATOM 189 C CA . LEU A 1 24 ? 2.649 -3.409 -6.517 1.00 54.21 24 A 1 ATOM 190 C C . LEU A 1 24 ? 2.381 -4.815 -5.989 1.00 52.90 24 A 1 ATOM 191 O O . LEU A 1 24 ? 1.485 -5.506 -6.472 1.00 51.18 24 A 1 ATOM 192 C CB . LEU A 1 24 ? 1.393 -2.533 -6.382 1.00 52.95 24 A 1 ATOM 193 C CG . LEU A 1 24 ? 1.676 -1.027 -6.379 1.00 50.13 24 A 1 ATOM 194 C CD1 . LEU A 1 24 ? 0.353 -0.262 -6.468 1.00 48.72 24 A 1 ATOM 195 C CD2 . LEU A 1 24 ? 2.377 -0.594 -5.095 1.00 48.44 24 A 1 ATOM 196 N N . LEU A 1 25 ? 3.104 -5.223 -4.952 1.00 47.14 25 A 1 ATOM 197 C CA . LEU A 1 25 ? 2.863 -6.480 -4.254 1.00 46.70 25 A 1 ATOM 198 C C . LEU A 1 25 ? 1.995 -6.224 -3.013 1.00 46.74 25 A 1 ATOM 199 O O . LEU A 1 25 ? 2.475 -5.725 -1.994 1.00 45.19 25 A 1 ATOM 200 C CB . LEU A 1 25 ? 4.209 -7.152 -3.922 1.00 44.08 25 A 1 ATOM 201 C CG . LEU A 1 25 ? 4.059 -8.673 -3.778 1.00 40.10 25 A 1 ATOM 202 C CD1 . LEU A 1 25 ? 4.242 -9.361 -5.135 1.00 37.32 25 A 1 ATOM 203 C CD2 . LEU A 1 25 ? 5.102 -9.239 -2.819 1.00 36.59 25 A 1 ATOM 204 N N . PHE A 1 26 ? 0.702 -6.603 -3.091 1.00 45.78 26 A 1 ATOM 205 C CA . PHE A 1 26 ? -0.177 -6.649 -1.921 1.00 45.14 26 A 1 ATOM 206 C C . PHE A 1 26 ? -0.070 -8.041 -1.297 1.00 44.10 26 A 1 ATOM 207 O O . PHE A 1 26 ? -0.538 -9.025 -1.859 1.00 43.22 26 A 1 ATOM 208 C CB . PHE A 1 26 ? -1.613 -6.289 -2.311 1.00 44.02 26 A 1 ATOM 209 C CG . PHE A 1 26 ? -1.773 -4.863 -2.811 1.00 42.60 26 A 1 ATOM 210 C CD1 . PHE A 1 26 ? -1.999 -3.813 -1.903 1.00 41.98 26 A 1 ATOM 211 C CD2 . PHE A 1 26 ? -1.673 -4.589 -4.186 1.00 41.42 26 A 1 ATOM 212 C CE1 . PHE A 1 26 ? -2.120 -2.492 -2.368 1.00 39.62 26 A 1 ATOM 213 C CE2 . PHE A 1 26 ? -1.786 -3.267 -4.647 1.00 39.32 26 A 1 ATOM 214 C CZ . PHE A 1 26 ? -2.010 -2.220 -3.738 1.00 39.93 26 A 1 ATOM 215 N N . THR A 1 27 ? 0.546 -8.146 -0.122 1.00 39.18 27 A 1 ATOM 216 C CA . THR A 1 27 ? 0.454 -9.372 0.680 1.00 39.04 27 A 1 ATOM 217 C C . THR A 1 27 ? -0.878 -9.379 1.421 1.00 38.79 27 A 1 ATOM 218 O O . THR A 1 27 ? -1.219 -8.371 2.038 1.00 37.33 27 A 1 ATOM 219 C CB . THR A 1 27 ? 1.629 -9.512 1.657 1.00 37.02 27 A 1 ATOM 220 O OG1 . THR A 1 27 ? 1.817 -8.324 2.389 1.00 34.28 27 A 1 ATOM 221 C CG2 . THR A 1 27 ? 2.934 -9.804 0.915 1.00 33.35 27 A 1 ATOM 222 N N . SER A 1 28 ? -1.632 -10.488 1.334 1.00 34.92 28 A 1 ATOM 223 C CA . SER A 1 28 ? -2.976 -10.624 1.906 1.00 34.78 28 A 1 ATOM 224 C C . SER A 1 28 ? -3.026 -10.181 3.370 1.00 34.93 28 A 1 ATOM 225 O O . SER A 1 28 ? -2.104 -10.425 4.150 1.00 33.29 28 A 1 ATOM 226 C CB . SER A 1 28 ? -3.518 -12.049 1.749 1.00 33.01 28 A 1 ATOM 227 O OG . SER A 1 28 ? -2.949 -12.934 2.686 1.00 30.72 28 A 1 ATOM 228 N N . VAL A 1 29 ? -4.127 -9.514 3.736 1.00 35.75 29 A 1 ATOM 229 C CA . VAL A 1 29 ? -4.376 -8.915 5.056 1.00 35.71 29 A 1 ATOM 230 C C . VAL A 1 29 ? -4.763 -9.991 6.077 1.00 35.41 29 A 1 ATOM 231 O O . VAL A 1 29 ? -5.794 -9.929 6.728 1.00 34.22 29 A 1 ATOM 232 C CB . VAL A 1 29 ? -5.400 -7.758 4.959 1.00 34.23 29 A 1 ATOM 233 C CG1 . VAL A 1 29 ? -5.432 -6.908 6.239 1.00 31.85 29 A 1 ATOM 234 C CG2 . VAL A 1 29 ? -5.076 -6.793 3.808 1.00 31.52 29 A 1 ATOM 235 N N . GLU A 1 30 ? -3.937 -11.010 6.264 1.00 28.77 30 A 1 ATOM 236 C CA . GLU A 1 30 ? -3.908 -11.776 7.500 1.00 28.39 30 A 1 ATOM 237 C C . GLU A 1 30 ? -2.789 -11.215 8.378 1.00 28.90 30 A 1 ATOM 238 O O . GLU A 1 30 ? -1.636 -11.617 8.299 1.00 27.88 30 A 1 ATOM 239 C CB . GLU A 1 30 ? -3.805 -13.287 7.259 1.00 26.73 30 A 1 ATOM 240 C CG . GLU A 1 30 ? -5.159 -13.872 6.825 1.00 24.32 30 A 1 ATOM 241 C CD . GLU A 1 30 ? -5.215 -15.404 6.932 1.00 23.13 30 A 1 ATOM 242 O OE1 . GLU A 1 30 ? -6.345 -15.931 7.013 1.00 21.05 30 A 1 ATOM 243 O OE2 . GLU A 1 30 ? -4.137 -16.038 6.978 1.00 21.88 30 A 1 ATOM 244 N N . ARG A 1 31 ? -3.172 -10.219 9.204 1.00 29.63 31 A 1 ATOM 245 C CA . ARG A 1 31 ? -2.469 -9.775 10.415 1.00 29.23 31 A 1 ATOM 246 C C . ARG A 1 31 ? -0.941 -9.947 10.399 1.00 29.56 31 A 1 ATOM 247 O O . ARG A 1 31 ? -0.437 -10.776 11.136 1.00 28.51 31 A 1 ATOM 248 C CB . ARG A 1 31 ? -3.067 -10.509 11.636 1.00 27.57 31 A 1 ATOM 249 C CG . ARG A 1 31 ? -4.482 -10.080 12.018 1.00 25.25 31 A 1 ATOM 250 C CD . ARG A 1 31 ? -4.895 -10.857 13.275 1.00 24.16 31 A 1 ATOM 251 N NE . ARG A 1 31 ? -6.203 -10.419 13.787 1.00 22.44 31 A 1 ATOM 252 C CZ . ARG A 1 31 ? -6.855 -10.949 14.806 1.00 21.37 31 A 1 ATOM 253 N NH1 . ARG A 1 31 ? -6.372 -11.955 15.480 1.00 21.02 31 A 1 ATOM 254 N NH2 . ARG A 1 31 ? -8.014 -10.475 15.163 1.00 20.60 31 A 1 ATOM 255 N N . ASN A 1 32 ? -0.223 -9.144 9.626 1.00 31.94 32 A 1 ATOM 256 C CA . ASN A 1 32 ? 1.160 -8.677 9.844 1.00 31.98 32 A 1 ATOM 257 C C . ASN A 1 32 ? 1.787 -8.146 8.538 1.00 32.43 32 A 1 ATOM 258 O O . ASN A 1 32 ? 2.760 -8.689 8.027 1.00 30.97 32 A 1 ATOM 259 C CB . ASN A 1 32 ? 2.072 -9.756 10.489 1.00 29.85 32 A 1 ATOM 260 C CG . ASN A 1 32 ? 1.976 -9.815 12.003 1.00 27.32 32 A 1 ATOM 261 O OD1 . ASN A 1 32 ? 1.767 -8.826 12.686 1.00 25.47 32 A 1 ATOM 262 N ND2 . ASN A 1 32 ? 2.160 -10.976 12.583 1.00 24.88 32 A 1 ATOM 263 N N . THR A 1 33 ? 1.276 -7.050 7.990 1.00 34.77 33 A 1 ATOM 264 C CA . THR A 1 33 ? 1.906 -6.366 6.848 1.00 35.02 33 A 1 ATOM 265 C C . THR A 1 33 ? 3.063 -5.491 7.321 1.00 35.06 33 A 1 ATOM 266 O O . THR A 1 33 ? 2.912 -4.299 7.573 1.00 33.69 33 A 1 ATOM 267 C CB . THR A 1 33 ? 0.876 -5.560 6.042 1.00 33.37 33 A 1 ATOM 268 O OG1 . THR A 1 33 ? 0.032 -4.849 6.916 1.00 31.41 33 A 1 ATOM 269 C CG2 . THR A 1 33 ? -0.007 -6.479 5.198 1.00 31.00 33 A 1 ATOM 270 N N . ARG A 1 34 ? 4.234 -6.109 7.502 1.00 33.67 34 A 1 ATOM 271 C CA . ARG A 1 34 ? 5.403 -5.428 8.096 1.00 33.65 34 A 1 ATOM 272 C C . ARG A 1 34 ? 6.334 -4.742 7.088 1.00 34.10 34 A 1 ATOM 273 O O . ARG A 1 34 ? 7.077 -3.872 7.513 1.00 33.08 34 A 1 ATOM 274 C CB . ARG A 1 34 ? 6.137 -6.407 9.030 1.00 31.96 34 A 1 ATOM 275 C CG . ARG A 1 34 ? 6.856 -5.685 10.184 1.00 29.37 34 A 1 ATOM 276 C CD . ARG A 1 34 ? 7.491 -6.698 11.142 1.00 27.84 34 A 1 ATOM 277 N NE . ARG A 1 34 ? 8.179 -6.047 12.273 1.00 25.97 34 A 1 ATOM 278 C CZ . ARG A 1 34 ? 8.769 -6.660 13.287 1.00 24.83 34 A 1 ATOM 279 N NH1 . ARG A 1 34 ? 8.800 -7.959 13.391 1.00 24.01 34 A 1 ATOM 280 N NH2 . ARG A 1 34 ? 9.353 -5.973 14.225 1.00 23.98 34 A 1 ATOM 281 N N . GLU A 1 35 ? 6.307 -5.083 5.782 1.00 35.26 35 A 1 ATOM 282 C CA . GLU A 1 35 ? 7.400 -4.640 4.884 1.00 35.30 35 A 1 ATOM 283 C C . GLU A 1 35 ? 7.022 -4.230 3.443 1.00 35.48 35 A 1 ATOM 284 O O . GLU A 1 35 ? 7.832 -3.589 2.774 1.00 34.80 35 A 1 ATOM 285 C CB . GLU A 1 35 ? 8.517 -5.704 4.884 1.00 34.46 35 A 1 ATOM 286 C CG . GLU A 1 35 ? 9.254 -5.733 6.236 1.00 31.22 35 A 1 ATOM 287 C CD . GLU A 1 35 ? 10.425 -6.721 6.297 1.00 29.64 35 A 1 ATOM 288 O OE1 . GLU A 1 35 ? 11.275 -6.533 7.198 1.00 27.68 35 A 1 ATOM 289 O OE2 . GLU A 1 35 ? 10.436 -7.679 5.494 1.00 28.12 35 A 1 ATOM 290 N N . ALA A 1 36 ? 5.820 -4.516 2.923 1.00 35.15 36 A 1 ATOM 291 C CA . ALA A 1 36 ? 5.562 -4.360 1.485 1.00 34.90 36 A 1 ATOM 292 C C . ALA A 1 36 ? 5.289 -2.914 1.020 1.00 34.63 36 A 1 ATOM 293 O O . ALA A 1 36 ? 5.657 -2.544 -0.091 1.00 33.35 36 A 1 ATOM 294 C CB . ALA A 1 36 ? 4.437 -5.322 1.089 1.00 33.44 36 A 1 ATOM 295 N N . ALA A 1 37 ? 4.675 -2.062 1.846 1.00 35.44 37 A 1 ATOM 296 C CA . ALA A 1 37 ? 4.257 -0.719 1.415 1.00 35.39 37 A 1 ATOM 297 C C . ALA A 1 37 ? 5.355 0.359 1.529 1.00 35.23 37 A 1 ATOM 298 O O . ALA A 1 37 ? 5.230 1.438 0.955 1.00 34.26 37 A 1 ATOM 299 C CB . ALA A 1 37 ? 2.996 -0.334 2.193 1.00 34.17 37 A 1 ATOM 300 N N . THR A 1 38 ? 6.422 0.101 2.267 1.00 32.54 38 A 1 ATOM 301 C CA . THR A 1 38 ? 7.405 1.134 2.640 1.00 32.66 38 A 1 ATOM 302 C C . THR A 1 38 ? 8.517 1.338 1.610 1.00 32.69 38 A 1 ATOM 303 O O . THR A 1 38 ? 9.196 2.365 1.654 1.00 31.96 38 A 1 ATOM 304 C CB . THR A 1 38 ? 8.013 0.855 4.027 1.00 31.39 38 A 1 ATOM 305 O OG1 . THR A 1 38 ? 7.184 0.018 4.809 1.00 29.19 38 A 1 ATOM 306 C CG2 . THR A 1 38 ? 8.183 2.144 4.839 1.00 28.69 38 A 1 ATOM 307 N N . GLN A 1 39 ? 8.729 0.403 0.679 1.00 28.50 39 A 1 ATOM 308 C CA . GLN A 1 39 ? 9.853 0.480 -0.262 1.00 28.11 39 A 1 ATOM 309 C C . GLN A 1 39 ? 9.568 1.263 -1.550 1.00 28.36 39 A 1 ATOM 310 O O . GLN A 1 39 ? 10.526 1.716 -2.172 1.00 27.44 39 A 1 ATOM 311 C CB . GLN A 1 39 ? 10.411 -0.919 -0.550 1.00 26.68 39 A 1 ATOM 312 C CG . GLN A 1 39 ? 11.464 -1.300 0.500 1.00 24.61 39 A 1 ATOM 313 C CD . GLN A 1 39 ? 12.179 -2.615 0.203 1.00 23.28 39 A 1 ATOM 314 O OE1 . GLN A 1 39 ? 11.802 -3.406 -0.639 1.00 22.68 39 A 1 ATOM 315 N NE2 . GLN A 1 39 ? 13.261 -2.906 0.888 1.00 22.04 39 A 1 ATOM 316 N N . TYR A 1 40 ? 8.299 1.469 -1.935 1.00 30.69 40 A 1 ATOM 317 C CA . TYR A 1 40 ? 7.991 1.966 -3.281 1.00 30.38 40 A 1 ATOM 318 C C . TYR A 1 40 ? 7.343 3.350 -3.364 1.00 30.65 40 A 1 ATOM 319 O O . TYR A 1 40 ? 7.360 3.943 -4.438 1.00 29.92 40 A 1 ATOM 320 C CB . TYR A 1 40 ? 7.230 0.876 -4.042 1.00 28.83 40 A 1 ATOM 321 C CG . TYR A 1 40 ? 8.131 -0.300 -4.364 1.00 26.82 40 A 1 ATOM 322 C CD1 . TYR A 1 40 ? 9.023 -0.213 -5.456 1.00 25.00 40 A 1 ATOM 323 C CD2 . TYR A 1 40 ? 8.128 -1.460 -3.565 1.00 24.79 40 A 1 ATOM 324 C CE1 . TYR A 1 40 ? 9.900 -1.274 -5.745 1.00 22.83 40 A 1 ATOM 325 C CE2 . TYR A 1 40 ? 9.009 -2.524 -3.850 1.00 22.87 40 A 1 ATOM 326 C CZ . TYR A 1 40 ? 9.893 -2.429 -4.940 1.00 22.66 40 A 1 ATOM 327 O OH . TYR A 1 40 ? 10.746 -3.456 -5.215 1.00 21.56 40 A 1 ATOM 328 N N . PHE A 1 41 ? 6.841 3.939 -2.268 1.00 32.58 41 A 1 ATOM 329 C CA . PHE A 1 41 ? 6.139 5.223 -2.353 1.00 32.52 41 A 1 ATOM 330 C C . PHE A 1 41 ? 6.530 6.216 -1.258 1.00 32.29 41 A 1 ATOM 331 O O . PHE A 1 41 ? 6.304 6.006 -0.069 1.00 31.56 41 A 1 ATOM 332 C CB . PHE A 1 41 ? 4.625 4.982 -2.422 1.00 31.43 41 A 1 ATOM 333 C CG . PHE A 1 41 ? 4.217 4.269 -3.702 1.00 29.69 41 A 1 ATOM 334 C CD1 . PHE A 1 41 ? 4.035 4.999 -4.894 1.00 28.19 41 A 1 ATOM 335 C CD2 . PHE A 1 41 ? 4.115 2.867 -3.722 1.00 28.28 41 A 1 ATOM 336 C CE1 . PHE A 1 41 ? 3.777 4.330 -6.102 1.00 26.55 41 A 1 ATOM 337 C CE2 . PHE A 1 41 ? 3.865 2.201 -4.937 1.00 26.53 41 A 1 ATOM 338 C CZ . PHE A 1 41 ? 3.704 2.932 -6.124 1.00 26.17 41 A 1 ATOM 339 N N . ARG A 1 42 ? 7.030 7.388 -1.670 1.00 29.44 42 A 1 ATOM 340 C CA . ARG A 1 42 ? 6.962 8.613 -0.868 1.00 29.23 42 A 1 ATOM 341 C C . ARG A 1 42 ? 5.496 9.051 -0.816 1.00 29.44 42 A 1 ATOM 342 O O . ARG A 1 42 ? 5.039 9.791 -1.681 1.00 28.87 42 A 1 ATOM 343 C CB . ARG A 1 42 ? 7.848 9.726 -1.461 1.00 28.01 42 A 1 ATOM 344 C CG . ARG A 1 42 ? 9.228 9.816 -0.811 1.00 25.69 42 A 1 ATOM 345 C CD . ARG A 1 42 ? 9.980 11.024 -1.383 1.00 24.43 42 A 1 ATOM 346 N NE . ARG A 1 42 ? 11.263 11.261 -0.699 1.00 22.94 42 A 1 ATOM 347 C CZ . ARG A 1 42 ? 12.091 12.259 -0.931 1.00 21.88 42 A 1 ATOM 348 N NH1 . ARG A 1 42 ? 11.847 13.160 -1.842 1.00 21.61 42 A 1 ATOM 349 N NH2 . ARG A 1 42 ? 13.191 12.378 -0.244 1.00 21.44 42 A 1 ATOM 350 N N . CYS A 1 43 ? 4.754 8.598 0.204 1.00 30.52 43 A 1 ATOM 351 C CA . CYS A 1 43 ? 3.400 9.093 0.450 1.00 31.13 43 A 1 ATOM 352 C C . CYS A 1 43 ? 3.441 10.609 0.726 1.00 31.04 43 A 1 ATOM 353 O O . CYS A 1 43 ? 4.149 11.020 1.653 1.00 30.16 43 A 1 ATOM 354 C CB . CYS A 1 43 ? 2.783 8.358 1.646 1.00 29.63 43 A 1 ATOM 355 S SG . CYS A 1 43 ? 2.406 6.639 1.234 1.00 27.50 43 A 1 ATOM 356 N N . PRO A 1 44 ? 2.684 11.447 -0.018 1.00 30.24 44 A 1 ATOM 357 C CA . PRO A 1 44 ? 2.514 12.843 0.361 1.00 30.14 44 A 1 ATOM 358 C C . PRO A 1 44 ? 1.814 12.917 1.727 1.00 29.93 44 A 1 ATOM 359 O O . PRO A 1 44 ? 0.837 12.215 1.989 1.00 29.35 44 A 1 ATOM 360 C CB . PRO A 1 44 ? 1.721 13.494 -0.775 1.00 28.71 44 A 1 ATOM 361 C CG . PRO A 1 44 ? 0.964 12.332 -1.408 1.00 28.15 44 A 1 ATOM 362 C CD . PRO A 1 44 ? 1.871 11.126 -1.181 1.00 29.65 44 A 1 ATOM 363 N N . GLU A 1 45 ? 2.335 13.746 2.621 1.00 26.77 45 A 1 ATOM 364 C CA . GLU A 1 45 ? 1.735 13.996 3.932 1.00 26.74 45 A 1 ATOM 365 C C . GLU A 1 45 ? 0.411 14.744 3.746 1.00 26.98 45 A 1 ATOM 366 O O . GLU A 1 45 ? 0.385 15.957 3.555 1.00 26.11 45 A 1 ATOM 367 C CB . GLU A 1 45 ? 2.698 14.808 4.819 1.00 25.33 45 A 1 ATOM 368 C CG . GLU A 1 45 ? 3.897 13.996 5.320 1.00 23.24 45 A 1 ATOM 369 C CD . GLU A 1 45 ? 4.840 14.808 6.225 1.00 22.16 45 A 1 ATOM 370 O OE1 . GLU A 1 45 ? 5.580 14.161 7.002 1.00 20.45 45 A 1 ATOM 371 O OE2 . GLU A 1 45 ? 4.847 16.053 6.114 1.00 21.44 45 A 1 ATOM 372 N N . LYS A 1 46 ? -0.715 14.018 3.820 1.00 28.80 46 A 1 ATOM 373 C CA . LYS A 1 46 ? -2.026 14.622 4.081 1.00 28.87 46 A 1 ATOM 374 C C . LYS A 1 46 ? -2.415 14.332 5.526 1.00 28.89 46 A 1 ATOM 375 O O . LYS A 1 46 ? -2.611 13.183 5.916 1.00 28.11 46 A 1 ATOM 376 C CB . LYS A 1 46 ? -3.081 14.154 3.062 1.00 27.63 46 A 1 ATOM 377 C CG . LYS A 1 46 ? -3.183 15.124 1.870 1.00 25.41 46 A 1 ATOM 378 C CD . LYS A 1 46 ? -4.273 14.665 0.889 1.00 24.21 46 A 1 ATOM 379 C CE . LYS A 1 46 ? -4.440 15.652 -0.274 1.00 22.47 46 A 1 ATOM 380 N NZ . LYS A 1 46 ? -5.402 15.131 -1.280 1.00 21.24 46 A 1 ATOM 381 N N . HIS A 1 47 ? -2.501 15.390 6.336 1.00 25.11 47 A 1 ATOM 382 C CA . HIS A 1 47 ? -3.170 15.355 7.631 1.00 25.49 47 A 1 ATOM 383 C C . HIS A 1 47 ? -4.675 15.227 7.392 1.00 26.35 47 A 1 ATOM 384 O O . HIS A 1 47 ? -5.279 16.125 6.813 1.00 25.26 47 A 1 ATOM 385 C CB . HIS A 1 47 ? -2.849 16.635 8.426 1.00 23.73 47 A 1 ATOM 386 C CG . HIS A 1 47 ? -1.644 16.518 9.322 1.00 21.56 47 A 1 ATOM 387 N ND1 . HIS A 1 47 ? -0.325 16.511 8.936 1.00 19.70 47 A 1 ATOM 388 C CD2 . HIS A 1 47 ? -1.656 16.402 10.683 1.00 19.32 47 A 1 ATOM 389 C CE1 . HIS A 1 47 ? 0.433 16.391 10.040 1.00 18.53 47 A 1 ATOM 390 N NE2 . HIS A 1 47 ? -0.339 16.329 11.130 1.00 18.78 47 A 1 ATOM 391 N N . VAL A 1 48 ? -5.288 14.125 7.832 1.00 26.91 48 A 1 ATOM 392 C CA . VAL A 1 48 ? -6.747 13.970 7.916 1.00 26.93 48 A 1 ATOM 393 C C . VAL A 1 48 ? -7.081 13.769 9.388 1.00 27.10 48 A 1 ATOM 394 O O . VAL A 1 48 ? -6.619 12.812 10.004 1.00 26.54 48 A 1 ATOM 395 C CB . VAL A 1 48 ? -7.278 12.834 7.023 1.00 25.95 48 A 1 ATOM 396 C CG1 . VAL A 1 48 ? -8.812 12.833 7.033 1.00 24.02 48 A 1 ATOM 397 C CG2 . VAL A 1 48 ? -6.818 12.997 5.565 1.00 24.16 48 A 1 ATOM 398 N N . SER A 1 49 ? -7.804 14.736 9.966 1.00 26.30 49 A 1 ATOM 399 C CA . SER A 1 49 ? -8.038 14.825 11.411 1.00 26.79 49 A 1 ATOM 400 C C . SER A 1 49 ? -9.346 14.200 11.896 1.00 27.18 49 A 1 ATOM 401 O O . SER A 1 49 ? -9.582 14.216 13.094 1.00 26.08 49 A 1 ATOM 402 C CB . SER A 1 49 ? -7.947 16.288 11.864 1.00 24.93 49 A 1 ATOM 403 O OG . SER A 1 49 ? -8.799 17.110 11.097 1.00 22.44 49 A 1 ATOM 404 N N . ASP A 1 50 ? -10.181 13.641 11.015 1.00 24.41 50 A 1 ATOM 405 C CA . ASP A 1 50 ? -11.470 13.067 11.414 1.00 24.75 50 A 1 ATOM 406 C C . ASP A 1 50 ? -11.727 11.715 10.743 1.00 25.17 50 A 1 ATOM 407 O O . ASP A 1 50 ? -11.772 11.598 9.515 1.00 24.52 50 A 1 ATOM 408 C CB . ASP A 1 50 ? -12.614 14.065 11.155 1.00 23.46 50 A 1 ATOM 409 C CG . ASP A 1 50 ? -12.718 15.139 12.245 1.00 21.56 50 A 1 ATOM 410 O OD1 . ASP A 1 50 ? -12.698 14.760 13.437 1.00 19.95 50 A 1 ATOM 411 O OD2 . ASP A 1 50 ? -12.829 16.330 11.882 1.00 20.08 50 A 1 ATOM 412 N N . ALA A 1 51 ? -11.913 10.683 11.563 1.00 25.82 51 A 1 ATOM 413 C CA . ALA A 1 51 ? -12.350 9.358 11.151 1.00 26.08 51 A 1 ATOM 414 C C . ALA A 1 51 ? -13.850 9.399 10.818 1.00 26.55 51 A 1 ATOM 415 O O . ALA A 1 51 ? -14.699 9.110 11.652 1.00 25.89 51 A 1 ATOM 416 C CB . ALA A 1 51 ? -11.999 8.358 12.264 1.00 24.70 51 A 1 ATOM 417 N N . GLY A 1 52 ? -14.186 9.791 9.592 1.00 27.69 52 A 1 ATOM 418 C CA . GLY A 1 52 ? -15.526 9.649 9.030 1.00 27.86 52 A 1 ATOM 419 C C . GLY A 1 52 ? -15.628 8.373 8.200 1.00 28.65 52 A 1 ATOM 420 O O . GLY A 1 52 ? -14.783 8.134 7.342 1.00 27.80 52 A 1 ATOM 421 N N . VAL A 1 53 ? -16.659 7.554 8.446 1.00 27.65 53 A 1 ATOM 422 C CA . VAL A 1 53 ? -17.026 6.421 7.585 1.00 27.51 53 A 1 ATOM 423 C C . VAL A 1 53 ? -17.469 6.984 6.235 1.00 28.28 53 A 1 ATOM 424 O O . VAL A 1 53 ? -18.385 7.804 6.181 1.00 27.73 53 A 1 ATOM 425 C CB . VAL A 1 53 ? -18.143 5.573 8.228 1.00 26.12 53 A 1 ATOM 426 C CG1 . VAL A 1 53 ? -18.535 4.378 7.353 1.00 23.58 53 A 1 ATOM 427 C CG2 . VAL A 1 53 ? -17.709 5.035 9.601 1.00 23.76 53 A 1 ATOM 428 N N . TYR A 1 54 ? -16.802 6.582 5.150 1.00 29.06 54 A 1 ATOM 429 C CA . TYR A 1 54 ? -17.131 6.991 3.787 1.00 29.40 54 A 1 ATOM 430 C C . TYR A 1 54 ? -17.675 5.770 3.038 1.00 29.50 54 A 1 ATOM 431 O O . TYR A 1 54 ? -16.998 4.747 2.991 1.00 28.64 54 A 1 ATOM 432 C CB . TYR A 1 54 ? -15.889 7.598 3.111 1.00 28.55 54 A 1 ATOM 433 C CG . TYR A 1 54 ? -16.209 8.714 2.129 1.00 26.73 54 A 1 ATOM 434 C CD1 . TYR A 1 54 ? -16.420 8.432 0.764 1.00 24.96 54 A 1 ATOM 435 C CD2 . TYR A 1 54 ? -16.307 10.042 2.592 1.00 24.96 54 A 1 ATOM 436 C CE1 . TYR A 1 54 ? -16.719 9.473 -0.132 1.00 23.35 54 A 1 ATOM 437 C CE2 . TYR A 1 54 ? -16.610 11.084 1.698 1.00 23.67 54 A 1 ATOM 438 C CZ . TYR A 1 54 ? -16.813 10.803 0.334 1.00 23.11 54 A 1 ATOM 439 O OH . TYR A 1 54 ? -17.100 11.812 -0.534 1.00 21.75 54 A 1 ATOM 440 N N . TYR A 1 55 ? -18.886 5.880 2.483 1.00 29.88 55 A 1 ATOM 441 C CA . TYR A 1 55 ? -19.503 4.848 1.648 1.00 30.09 55 A 1 ATOM 442 C C . TYR A 1 55 ? -19.133 5.121 0.183 1.00 30.57 55 A 1 ATOM 443 O O . TYR A 1 55 ? -19.455 6.190 -0.337 1.00 29.69 55 A 1 ATOM 444 C CB . TYR A 1 55 ? -21.022 4.851 1.864 1.00 28.54 55 A 1 ATOM 445 C CG . TYR A 1 55 ? -21.464 4.446 3.262 1.00 26.45 55 A 1 ATOM 446 C CD1 . TYR A 1 55 ? -21.625 3.083 3.575 1.00 24.30 55 A 1 ATOM 447 C CD2 . TYR A 1 55 ? -21.717 5.422 4.248 1.00 24.00 55 A 1 ATOM 448 C CE1 . TYR A 1 55 ? -22.036 2.696 4.866 1.00 22.41 55 A 1 ATOM 449 C CE2 . TYR A 1 55 ? -22.122 5.037 5.542 1.00 22.78 55 A 1 ATOM 450 C CZ . TYR A 1 55 ? -22.282 3.673 5.849 1.00 22.32 55 A 1 ATOM 451 O OH . TYR A 1 55 ? -22.671 3.297 7.100 1.00 21.38 55 A 1 ATOM 452 N N . GLY A 1 56 ? -18.435 4.205 -0.475 1.00 34.67 56 A 1 ATOM 453 C CA . GLY A 1 56 ? -18.025 4.225 -1.880 1.00 35.37 56 A 1 ATOM 454 C C . GLY A 1 56 ? -18.362 2.903 -2.594 1.00 35.77 56 A 1 ATOM 455 O O . GLY A 1 56 ? -19.072 2.072 -2.052 1.00 34.60 56 A 1 ATOM 456 N N . GLU A 1 57 ? -17.884 2.683 -3.820 1.00 34.92 57 A 1 ATOM 457 C CA . GLU A 1 57 ? -18.064 1.419 -4.554 1.00 36.47 57 A 1 ATOM 458 C C . GLU A 1 57 ? -16.800 0.549 -4.470 1.00 36.80 57 A 1 ATOM 459 O O . GLU A 1 57 ? -15.679 1.076 -4.468 1.00 35.79 57 A 1 ATOM 460 C CB . GLU A 1 57 ? -18.433 1.687 -6.026 1.00 35.50 57 A 1 ATOM 461 C CG . GLU A 1 57 ? -19.839 2.295 -6.193 1.00 32.17 57 A 1 ATOM 462 C CD . GLU A 1 57 ? -20.240 2.524 -7.665 1.00 30.21 57 A 1 ATOM 463 O OE1 . GLU A 1 57 ? -21.441 2.781 -7.911 1.00 28.33 57 A 1 ATOM 464 O OE2 . GLU A 1 57 ? -19.353 2.495 -8.555 1.00 29.66 57 A 1 ATOM 465 N N . ASP A 1 58 ? -16.974 -0.777 -4.435 1.00 37.46 58 A 1 ATOM 466 C CA . ASP A 1 58 ? -15.865 -1.737 -4.432 1.00 38.39 58 A 1 ATOM 467 C C . ASP A 1 58 ? -14.934 -1.531 -5.641 1.00 38.86 58 A 1 ATOM 468 O O . ASP A 1 58 ? -15.352 -1.095 -6.712 1.00 37.88 58 A 1 ATOM 469 C CB . ASP A 1 58 ? -16.391 -3.177 -4.380 1.00 36.82 58 A 1 ATOM 470 C CG . ASP A 1 58 ? -17.152 -3.490 -3.089 1.00 33.88 58 A 1 ATOM 471 O OD1 . ASP A 1 58 ? -16.876 -2.815 -2.069 1.00 32.03 58 A 1 ATOM 472 O OD2 . ASP A 1 58 ? -18.013 -4.397 -3.136 1.00 31.96 58 A 1 ATOM 473 N N . PHE A 1 59 ? -13.640 -1.829 -5.474 1.00 39.72 59 A 1 ATOM 474 C CA . PHE A 1 59 ? -12.648 -1.648 -6.527 1.00 40.37 59 A 1 ATOM 475 C C . PHE A 1 59 ? -11.848 -2.930 -6.742 1.00 40.02 59 A 1 ATOM 476 O O . PHE A 1 59 ? -11.184 -3.409 -5.828 1.00 39.38 59 A 1 ATOM 477 C CB . PHE A 1 59 ? -11.746 -0.456 -6.188 1.00 39.27 59 A 1 ATOM 478 C CG . PHE A 1 59 ? -10.755 -0.118 -7.286 1.00 37.35 59 A 1 ATOM 479 C CD1 . PHE A 1 59 ? -9.448 -0.637 -7.244 1.00 35.09 59 A 1 ATOM 480 C CD2 . PHE A 1 59 ? -11.145 0.696 -8.363 1.00 35.25 59 A 1 ATOM 481 C CE1 . PHE A 1 59 ? -8.533 -0.331 -8.270 1.00 33.12 59 A 1 ATOM 482 C CE2 . PHE A 1 59 ? -10.234 1.000 -9.388 1.00 33.40 59 A 1 ATOM 483 C CZ . PHE A 1 59 ? -8.924 0.489 -9.340 1.00 32.58 59 A 1 ATOM 484 N N . GLU A 1 60 ? -11.871 -3.452 -7.972 1.00 35.92 60 A 1 ATOM 485 C CA . GLU A 1 60 ? -11.101 -4.629 -8.377 1.00 36.68 60 A 1 ATOM 486 C C . GLU A 1 60 ? -9.929 -4.219 -9.273 1.00 37.08 60 A 1 ATOM 487 O O . GLU A 1 60 ? -10.087 -3.439 -10.224 1.00 36.71 60 A 1 ATOM 488 C CB . GLU A 1 60 ? -12.035 -5.641 -9.058 1.00 35.88 60 A 1 ATOM 489 C CG . GLU A 1 60 ? -11.391 -7.031 -9.182 1.00 32.85 60 A 1 ATOM 490 C CD . GLU A 1 60 ? -12.218 -7.998 -10.039 1.00 31.36 60 A 1 ATOM 491 O OE1 . GLU A 1 60 ? -11.592 -8.927 -10.605 1.00 29.81 60 A 1 ATOM 492 O OE2 . GLU A 1 60 ? -13.437 -7.775 -10.200 1.00 31.37 60 A 1 ATOM 493 N N . PHE A 1 61 ? -8.729 -4.744 -8.994 1.00 38.52 61 A 1 ATOM 494 C CA . PHE A 1 61 ? -7.536 -4.539 -9.808 1.00 38.49 61 A 1 ATOM 495 C C . PHE A 1 61 ? -6.666 -5.803 -9.830 1.00 38.53 61 A 1 ATOM 496 O O . PHE A 1 61 ? -6.240 -6.281 -8.783 1.00 37.79 61 A 1 ATOM 497 C CB . PHE A 1 61 ? -6.753 -3.333 -9.281 1.00 37.10 61 A 1 ATOM 498 C CG . PHE A 1 61 ? -5.554 -2.982 -10.134 1.00 34.98 61 A 1 ATOM 499 C CD1 . PHE A 1 61 ? -4.292 -3.519 -9.835 1.00 32.93 61 A 1 ATOM 500 C CD2 . PHE A 1 61 ? -5.706 -2.145 -11.251 1.00 33.50 61 A 1 ATOM 501 C CE1 . PHE A 1 61 ? -3.184 -3.216 -10.649 1.00 30.99 61 A 1 ATOM 502 C CE2 . PHE A 1 61 ? -4.601 -1.841 -12.066 1.00 31.08 61 A 1 ATOM 503 C CZ . PHE A 1 61 ? -3.340 -2.380 -11.763 1.00 30.56 61 A 1 ATOM 504 N N . ASP A 1 62 ? -6.403 -6.348 -11.032 1.00 37.05 62 A 1 ATOM 505 C CA . ASP A 1 62 ? -5.573 -7.541 -11.271 1.00 37.97 62 A 1 ATOM 506 C C . ASP A 1 62 ? -5.881 -8.735 -10.336 1.00 38.03 62 A 1 ATOM 507 O O . ASP A 1 62 ? -4.994 -9.450 -9.876 1.00 36.58 62 A 1 ATOM 508 C CB . ASP A 1 62 ? -4.082 -7.153 -11.367 1.00 35.95 62 A 1 ATOM 509 C CG . ASP A 1 62 ? -3.729 -6.349 -12.635 1.00 33.23 62 A 1 ATOM 510 O OD1 . ASP A 1 62 ? -4.575 -6.247 -13.559 1.00 31.11 62 A 1 ATOM 511 O OD2 . ASP A 1 62 ? -2.609 -5.803 -12.703 1.00 30.78 62 A 1 ATOM 512 N N . GLY A 1 63 ? -7.181 -8.963 -10.056 1.00 36.02 63 A 1 ATOM 513 C CA . GLY A 1 63 ? -7.664 -10.048 -9.193 1.00 36.11 63 A 1 ATOM 514 C C . GLY A 1 63 ? -7.663 -9.734 -7.695 1.00 37.14 63 A 1 ATOM 515 O O . GLY A 1 63 ? -7.958 -10.621 -6.898 1.00 35.77 63 A 1 ATOM 516 N N . PHE A 1 64 ? -7.362 -8.506 -7.302 1.00 36.86 64 A 1 ATOM 517 C CA . PHE A 1 64 ? -7.483 -8.018 -5.928 1.00 37.54 64 A 1 ATOM 518 C C . PHE A 1 64 ? -8.726 -7.142 -5.788 1.00 38.20 64 A 1 ATOM 519 O O . PHE A 1 64 ? -8.867 -6.143 -6.485 1.00 37.55 64 A 1 ATOM 520 C CB . PHE A 1 64 ? -6.223 -7.251 -5.515 1.00 36.31 64 A 1 ATOM 521 C CG . PHE A 1 64 ? -4.974 -8.108 -5.494 1.00 34.08 64 A 1 ATOM 522 C CD1 . PHE A 1 64 ? -4.667 -8.881 -4.362 1.00 31.60 64 A 1 ATOM 523 C CD2 . PHE A 1 64 ? -4.139 -8.163 -6.623 1.00 31.73 64 A 1 ATOM 524 C CE1 . PHE A 1 64 ? -3.529 -9.709 -4.361 1.00 29.52 64 A 1 ATOM 525 C CE2 . PHE A 1 64 ? -3.002 -8.994 -6.624 1.00 29.50 64 A 1 ATOM 526 C CZ . PHE A 1 64 ? -2.701 -9.767 -5.493 1.00 28.65 64 A 1 ATOM 527 N N . GLU A 1 65 ? -9.605 -7.495 -4.849 1.00 37.69 65 A 1 ATOM 528 C CA . GLU A 1 65 ? -10.820 -6.754 -4.516 1.00 39.00 65 A 1 ATOM 529 C C . GLU A 1 65 ? -10.600 -5.962 -3.221 1.00 39.60 65 A 1 ATOM 530 O O . GLU A 1 65 ? -10.138 -6.504 -2.213 1.00 38.93 65 A 1 ATOM 531 C CB . GLU A 1 65 ? -11.990 -7.745 -4.444 1.00 38.28 65 A 1 ATOM 532 C CG . GLU A 1 65 ? -13.362 -7.059 -4.504 1.00 34.64 65 A 1 ATOM 533 C CD . GLU A 1 65 ? -14.518 -8.076 -4.610 1.00 32.49 65 A 1 ATOM 534 O OE1 . GLU A 1 65 ? -15.649 -7.642 -4.915 1.00 31.00 65 A 1 ATOM 535 O OE2 . GLU A 1 65 ? -14.288 -9.286 -4.367 1.00 31.15 65 A 1 ATOM 536 N N . ILE A 1 66 ? -10.870 -4.658 -3.262 1.00 40.92 66 A 1 ATOM 537 C CA . ILE A 1 66 ? -10.745 -3.741 -2.129 1.00 40.85 66 A 1 ATOM 538 C C . ILE A 1 66 ? -12.147 -3.269 -1.752 1.00 40.15 66 A 1 ATOM 539 O O . ILE A 1 66 ? -12.754 -2.486 -2.489 1.00 39.33 66 A 1 ATOM 540 C CB . ILE A 1 66 ? -9.815 -2.546 -2.446 1.00 40.26 66 A 1 ATOM 541 C CG1 . ILE A 1 66 ? -8.416 -3.015 -2.912 1.00 38.21 66 A 1 ATOM 542 C CG2 . ILE A 1 66 ? -9.690 -1.632 -1.209 1.00 38.15 66 A 1 ATOM 543 C CD1 . ILE A 1 66 ? -7.488 -1.873 -3.345 1.00 37.06 66 A 1 ATOM 544 N N . PHE A 1 67 ? -12.637 -3.690 -0.583 1.00 38.24 67 A 1 ATOM 545 C CA . PHE A 1 67 ? -13.951 -3.332 -0.061 1.00 38.35 67 A 1 ATOM 546 C C . PHE A 1 67 ? -13.932 -1.978 0.660 1.00 38.49 67 A 1 ATOM 547 O O . PHE A 1 67 ? -12.895 -1.506 1.132 1.00 37.02 67 A 1 ATOM 548 C CB . PHE A 1 67 ? -14.464 -4.451 0.852 1.00 36.02 67 A 1 ATOM 549 C CG . PHE A 1 67 ? -14.568 -5.787 0.144 1.00 33.52 67 A 1 ATOM 550 C CD1 . PHE A 1 67 ? -15.676 -6.053 -0.683 1.00 30.76 67 A 1 ATOM 551 C CD2 . PHE A 1 67 ? -13.542 -6.738 0.266 1.00 30.81 67 A 1 ATOM 552 C CE1 . PHE A 1 67 ? -15.755 -7.267 -1.385 1.00 28.73 67 A 1 ATOM 553 C CE2 . PHE A 1 67 ? -13.621 -7.952 -0.441 1.00 28.71 67 A 1 ATOM 554 C CZ . PHE A 1 67 ? -14.728 -8.214 -1.269 1.00 28.17 67 A 1 ATOM 555 N N . GLU A 1 68 ? -15.090 -1.311 0.757 1.00 36.65 68 A 1 ATOM 556 C CA . GLU A 1 68 ? -15.234 0.007 1.399 1.00 36.79 68 A 1 ATOM 557 C C . GLU A 1 68 ? -14.831 0.036 2.868 1.00 37.26 68 A 1 ATOM 558 O O . GLU A 1 68 ? -14.239 1.018 3.318 1.00 36.26 68 A 1 ATOM 559 C CB . GLU A 1 68 ? -16.696 0.439 1.318 1.00 35.05 68 A 1 ATOM 560 C CG . GLU A 1 68 ? -17.018 0.978 -0.059 1.00 32.10 68 A 1 ATOM 561 C CD . GLU A 1 68 ? -18.513 1.200 -0.213 1.00 30.46 68 A 1 ATOM 562 O OE1 . GLU A 1 68 ? -19.011 0.902 -1.306 1.00 28.81 68 A 1 ATOM 563 O OE2 . GLU A 1 68 ? -19.136 1.745 0.738 1.00 29.62 68 A 1 ATOM 564 N N . ASP A 1 69 ? -15.146 -1.037 3.587 1.00 39.13 69 A 1 ATOM 565 C CA . ASP A 1 69 ? -14.900 -1.159 5.024 1.00 39.83 69 A 1 ATOM 566 C C . ASP A 1 69 ? -13.480 -1.653 5.351 1.00 40.09 69 A 1 ATOM 567 O O . ASP A 1 69 ? -13.102 -1.752 6.522 1.00 38.48 69 A 1 ATOM 568 C CB . ASP A 1 69 ? -15.987 -2.054 5.633 1.00 37.89 69 A 1 ATOM 569 C CG . ASP A 1 69 ? -17.395 -1.439 5.552 1.00 34.87 69 A 1 ATOM 570 O OD1 . ASP A 1 69 ? -17.510 -0.196 5.686 1.00 32.65 69 A 1 ATOM 571 O OD2 . ASP A 1 69 ? -18.358 -2.221 5.420 1.00 32.47 69 A 1 ATOM 572 N N . ASP A 1 70 ? -12.653 -1.932 4.330 1.00 38.91 70 A 1 ATOM 573 C CA . ASP A 1 70 ? -11.279 -2.372 4.531 1.00 39.86 70 A 1 ATOM 574 C C . ASP A 1 70 ? -10.375 -1.208 4.951 1.00 39.89 70 A 1 ATOM 575 O O . ASP A 1 70 ? -9.793 -0.463 4.153 1.00 38.67 70 A 1 ATOM 576 C CB . ASP A 1 70 ? -10.738 -3.115 3.301 1.00 38.52 70 A 1 ATOM 577 C CG . ASP A 1 70 ? -11.319 -4.521 3.136 1.00 35.76 70 A 1 ATOM 578 O OD1 . ASP A 1 70 ? -11.701 -5.136 4.157 1.00 33.41 70 A 1 ATOM 579 O OD2 . ASP A 1 70 ? -11.305 -5.001 1.979 1.00 33.00 70 A 1 ATOM 580 N N . LEU A 1 71 ? -10.207 -1.070 6.271 1.00 36.58 71 A 1 ATOM 581 C CA . LEU A 1 71 ? -9.175 -0.225 6.858 1.00 36.82 71 A 1 ATOM 582 C C . LEU A 1 71 ? -7.812 -0.899 6.678 1.00 37.21 71 A 1 ATOM 583 O O . LEU A 1 71 ? -7.437 -1.816 7.414 1.00 36.11 71 A 1 ATOM 584 C CB . LEU A 1 71 ? -9.505 0.025 8.340 1.00 35.16 71 A 1 ATOM 585 C CG . LEU A 1 71 ? -10.639 1.040 8.562 1.00 32.42 71 A 1 ATOM 586 C CD1 . LEU A 1 71 ? -11.162 0.932 9.992 1.00 30.01 71 A 1 ATOM 587 C CD2 . LEU A 1 71 ? -10.161 2.477 8.348 1.00 29.66 71 A 1 ATOM 588 N N . ILE A 1 72 ? -7.020 -0.415 5.720 1.00 40.17 72 A 1 ATOM 589 C CA . ILE A 1 72 ? -5.633 -0.856 5.560 1.00 40.00 72 A 1 ATOM 590 C C . ILE A 1 72 ? -4.772 -0.134 6.604 1.00 39.32 72 A 1 ATOM 591 O O . ILE A 1 72 ? -4.344 1.008 6.436 1.00 38.20 72 A 1 ATOM 592 C CB . ILE A 1 72 ? -5.140 -0.696 4.104 1.00 39.14 72 A 1 ATOM 593 C CG1 . ILE A 1 72 ? -6.069 -1.482 3.145 1.00 37.16 72 A 1 ATOM 594 C CG2 . ILE A 1 72 ? -3.685 -1.196 3.994 1.00 36.86 72 A 1 ATOM 595 C CD1 . ILE A 1 72 ? -5.690 -1.389 1.666 1.00 35.34 72 A 1 ATOM 596 N N . TYR A 1 73 ? -4.507 -0.818 7.718 1.00 34.46 73 A 1 ATOM 597 C CA . TYR A 1 73 ? -3.595 -0.327 8.745 1.00 34.54 73 A 1 ATOM 598 C C . TYR A 1 73 ? -2.150 -0.596 8.329 1.00 34.67 73 A 1 ATOM 599 O O . TYR A 1 73 ? -1.656 -1.719 8.428 1.00 33.76 73 A 1 ATOM 600 C CB . TYR A 1 73 ? -3.904 -0.977 10.096 1.00 33.09 73 A 1 ATOM 601 C CG . TYR A 1 73 ? -5.253 -0.590 10.670 1.00 30.89 73 A 1 ATOM 602 C CD1 . TYR A 1 73 ? -5.407 0.623 11.371 1.00 28.92 73 A 1 ATOM 603 C CD2 . TYR A 1 73 ? -6.357 -1.444 10.499 1.00 28.78 73 A 1 ATOM 604 C CE1 . TYR A 1 73 ? -6.659 0.981 11.901 1.00 26.35 73 A 1 ATOM 605 C CE2 . TYR A 1 73 ? -7.612 -1.086 11.025 1.00 26.46 73 A 1 ATOM 606 C CZ . TYR A 1 73 ? -7.762 0.126 11.729 1.00 25.70 73 A 1 ATOM 607 O OH . TYR A 1 73 ? -8.976 0.470 12.240 1.00 24.89 73 A 1 ATOM 608 N N . THR A 1 74 ? -1.422 0.443 7.939 1.00 34.93 74 A 1 ATOM 609 C CA . THR A 1 74 ? 0.039 0.368 7.852 1.00 35.05 74 A 1 ATOM 610 C C . THR A 1 74 ? 0.634 0.865 9.167 1.00 34.80 74 A 1 ATOM 611 O O . THR A 1 74 ? 0.560 2.041 9.518 1.00 33.69 74 A 1 ATOM 612 C CB . THR A 1 74 ? 0.597 1.089 6.616 1.00 33.74 74 A 1 ATOM 613 O OG1 . THR A 1 74 ? 0.202 2.432 6.572 1.00 31.80 74 A 1 ATOM 614 C CG2 . THR A 1 74 ? 0.116 0.428 5.319 1.00 31.50 74 A 1 ATOM 615 N N . ARG A 1 75 ? 1.207 -0.043 9.955 1.00 30.11 75 A 1 ATOM 616 C CA . ARG A 1 75 ? 1.996 0.320 11.137 1.00 30.68 75 A 1 ATOM 617 C C . ARG A 1 75 ? 3.448 0.498 10.707 1.00 30.92 75 A 1 ATOM 618 O O . ARG A 1 75 ? 4.137 -0.485 10.439 1.00 29.94 75 A 1 ATOM 619 C CB . ARG A 1 75 ? 1.824 -0.721 12.254 1.00 29.00 75 A 1 ATOM 620 C CG . ARG A 1 75 ? 1.222 -0.106 13.525 1.00 26.68 75 A 1 ATOM 621 C CD . ARG A 1 75 ? 1.130 -1.148 14.642 1.00 25.54 75 A 1 ATOM 622 N NE . ARG A 1 75 ? 0.407 -0.633 15.820 1.00 23.94 75 A 1 ATOM 623 C CZ . ARG A 1 75 ? 0.225 -1.276 16.961 1.00 22.65 75 A 1 ATOM 624 N NH1 . ARG A 1 75 ? 0.716 -2.464 17.167 1.00 22.52 75 A 1 ATOM 625 N NH2 . ARG A 1 75 ? -0.462 -0.734 17.927 1.00 21.90 75 A 1 ATOM 626 N N . SER A 1 76 ? 3.925 1.734 10.662 1.00 32.89 76 A 1 ATOM 627 C CA . SER A 1 76 ? 5.361 1.995 10.675 1.00 33.14 76 A 1 ATOM 628 C C . SER A 1 76 ? 5.829 1.943 12.126 1.00 32.85 76 A 1 ATOM 629 O O . SER A 1 76 ? 5.365 2.721 12.956 1.00 31.65 76 A 1 ATOM 630 C CB . SER A 1 76 ? 5.703 3.328 9.998 1.00 31.58 76 A 1 ATOM 631 O OG . SER A 1 76 ? 4.959 4.396 10.539 1.00 29.35 76 A 1 ATOM 632 N N . TYR A 1 77 ? 6.709 1.005 12.436 1.00 30.59 77 A 1 ATOM 633 C CA . TYR A 1 77 ? 7.422 0.987 13.709 1.00 31.00 77 A 1 ATOM 634 C C . TYR A 1 77 ? 8.683 1.836 13.562 1.00 31.25 77 A 1 ATOM 635 O O . TYR A 1 77 ? 9.422 1.666 12.585 1.00 30.23 77 A 1 ATOM 636 C CB . TYR A 1 77 ? 7.752 -0.451 14.112 1.00 29.56 77 A 1 ATOM 637 C CG . TYR A 1 77 ? 6.532 -1.286 14.458 1.00 27.80 77 A 1 ATOM 638 C CD1 . TYR A 1 77 ? 6.025 -1.262 15.771 1.00 25.53 77 A 1 ATOM 639 C CD2 . TYR A 1 77 ? 5.903 -2.078 13.477 1.00 25.34 77 A 1 ATOM 640 C CE1 . TYR A 1 77 ? 4.897 -2.034 16.109 1.00 23.67 77 A 1 ATOM 641 C CE2 . TYR A 1 77 ? 4.771 -2.848 13.813 1.00 24.05 77 A 1 ATOM 642 C CZ . TYR A 1 77 ? 4.271 -2.829 15.132 1.00 23.31 77 A 1 ATOM 643 O OH . TYR A 1 77 ? 3.186 -3.580 15.462 1.00 22.19 77 A 1 ATOM 644 N N . ASP A 1 78 ? 8.932 2.733 14.513 1.00 33.27 78 A 1 ATOM 645 C CA . ASP A 1 78 ? 10.241 3.358 14.613 1.00 34.54 78 A 1 ATOM 646 C C . ASP A 1 78 ? 11.290 2.282 14.926 1.00 34.49 78 A 1 ATOM 647 O O . ASP A 1 78 ? 11.035 1.291 15.613 1.00 33.41 78 A 1 ATOM 648 C CB . ASP A 1 78 ? 10.238 4.519 15.629 1.00 33.51 78 A 1 ATOM 649 C CG . ASP A 1 78 ? 9.618 5.800 15.042 1.00 30.86 78 A 1 ATOM 650 O OD1 . ASP A 1 78 ? 9.847 6.057 13.836 1.00 28.90 78 A 1 ATOM 651 O OD2 . ASP A 1 78 ? 8.912 6.517 15.784 1.00 28.41 78 A 1 ATOM 652 N N . LYS A 1 79 ? 12.488 2.448 14.384 1.00 32.90 79 A 1 ATOM 653 C CA . LYS A 1 79 ? 13.573 1.452 14.430 1.00 33.79 79 A 1 ATOM 654 C C . LYS A 1 79 ? 13.970 1.041 15.858 1.00 33.41 79 A 1 ATOM 655 O O . LYS A 1 79 ? 14.580 -0.001 16.034 1.00 32.35 79 A 1 ATOM 656 C CB . LYS A 1 79 ? 14.770 2.026 13.655 1.00 32.81 79 A 1 ATOM 657 C CG . LYS A 1 79 ? 15.465 0.995 12.767 1.00 29.92 79 A 1 ATOM 658 C CD . LYS A 1 79 ? 16.604 1.661 11.989 1.00 29.06 79 A 1 ATOM 659 C CE . LYS A 1 79 ? 17.239 0.669 11.015 1.00 26.55 79 A 1 ATOM 660 N NZ . LYS A 1 79 ? 18.357 1.284 10.259 1.00 25.53 79 A 1 ATOM 661 N N . GLU A 1 80 ? 13.606 1.855 16.851 1.00 35.96 80 A 1 ATOM 662 C CA . GLU A 1 80 ? 13.886 1.640 18.276 1.00 39.18 80 A 1 ATOM 663 C C . GLU A 1 80 ? 12.898 0.687 18.972 1.00 38.98 80 A 1 ATOM 664 O O . GLU A 1 80 ? 13.244 0.103 19.992 1.00 38.14 80 A 1 ATOM 665 C CB . GLU A 1 80 ? 13.944 3.005 18.984 1.00 39.13 80 A 1 ATOM 666 C CG . GLU A 1 80 ? 15.091 3.882 18.436 1.00 34.59 80 A 1 ATOM 667 C CD . GLU A 1 80 ? 15.299 5.200 19.203 1.00 32.40 80 A 1 ATOM 668 O OE1 . GLU A 1 80 ? 16.372 5.811 18.982 1.00 29.74 80 A 1 ATOM 669 O OE2 . GLU A 1 80 ? 14.412 5.595 19.987 1.00 32.69 80 A 1 ATOM 670 N N . GLU A 1 81 ? 11.700 0.447 18.417 1.00 31.85 81 A 1 ATOM 671 C CA . GLU A 1 81 ? 10.714 -0.508 18.962 1.00 34.06 81 A 1 ATOM 672 C C . GLU A 1 81 ? 10.926 -1.956 18.472 1.00 33.70 81 A 1 ATOM 673 O O . GLU A 1 81 ? 10.116 -2.845 18.756 1.00 33.39 81 A 1 ATOM 674 C CB . GLU A 1 81 ? 9.279 -0.044 18.653 1.00 34.59 81 A 1 ATOM 675 C CG . GLU A 1 81 ? 8.852 1.233 19.397 1.00 31.49 81 A 1 ATOM 676 C CD . GLU A 1 81 ? 7.349 1.540 19.223 1.00 29.84 81 A 1 ATOM 677 O OE1 . GLU A 1 81 ? 6.785 2.254 20.085 1.00 27.84 81 A 1 ATOM 678 O OE2 . GLU A 1 81 ? 6.732 1.053 18.238 1.00 30.06 81 A 1 ATOM 679 N N . LEU A 1 82 ? 11.985 -2.211 17.698 1.00 30.38 82 A 1 ATOM 680 C CA . LEU A 1 82 ? 12.292 -3.514 17.090 1.00 31.64 82 A 1 ATOM 681 C C . LEU A 1 82 ? 13.363 -4.330 17.839 1.00 31.44 82 A 1 ATOM 682 O O . LEU A 1 82 ? 13.818 -5.341 17.295 1.00 30.17 82 A 1 ATOM 683 C CB . LEU A 1 82 ? 12.639 -3.311 15.602 1.00 31.07 82 A 1 ATOM 684 C CG . LEU A 1 82 ? 11.456 -2.857 14.731 1.00 29.27 82 A 1 ATOM 685 C CD1 . LEU A 1 82 ? 11.950 -2.561 13.310 1.00 27.34 82 A 1 ATOM 686 C CD2 . LEU A 1 82 ? 10.375 -3.925 14.630 1.00 29.14 82 A 1 ATOM 687 N N . ASN A 1 83 ? 13.765 -3.908 19.038 1.00 36.41 83 A 1 ATOM 688 C CA . ASN A 1 83 ? 14.662 -4.673 19.913 1.00 40.22 83 A 1 ATOM 689 C C . ASN A 1 83 ? 13.886 -5.471 20.965 1.00 37.69 83 A 1 ATOM 690 O O . ASN A 1 83 ? 13.016 -4.868 21.631 1.00 35.90 83 A 1 ATOM 691 C CB . ASN A 1 83 ? 15.702 -3.744 20.563 1.00 39.03 83 A 1 ATOM 692 C CG . ASN A 1 83 ? 16.878 -3.367 19.678 1.00 34.77 83 A 1 ATOM 693 O OD1 . ASN A 1 83 ? 17.284 -4.051 18.745 1.00 32.65 83 A 1 ATOM 694 N ND2 . ASN A 1 83 ? 17.533 -2.267 19.978 1.00 31.56 83 A 1 ATOM 695 O OXT . ASN A 1 83 ? 14.208 -6.672 21.093 1.00 31.47 83 A 1 #