# 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_acrie9 # _entry.id acrie9 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n GLU 2 1 n MET 3 1 n GLN 4 1 n ILE 5 1 n ASN 6 1 n SER 7 1 n ARG 8 1 n LYS 9 1 n LEU 10 1 n GLY 11 1 n ARG 12 1 n THR 13 1 n ILE 14 1 n THR 15 1 n PHE 16 1 n SER 17 1 n ARG 18 1 n PRO 19 1 n GLY 20 1 n ALA 21 1 n SER 22 1 n TYR 23 1 n ILE 24 1 n PHE 25 1 n ALA 26 1 n ASP 27 1 n LEU 28 1 n ASN 29 1 n GLY 30 1 n LYS 31 1 n SER 32 1 n GLY 33 1 n THR 34 1 n LEU 35 1 n GLY 36 1 n CYS 37 1 n GLN 38 1 n ILE 39 1 n CYS 40 1 n SER 41 1 n GLY 42 1 n GLY 43 1 n GLY 44 1 n THR 45 1 n MET 46 1 n GLY 47 1 n SER 48 1 n THR 49 1 n LEU 50 1 n SER 51 1 n TYR 52 1 n ASP 53 1 n GLY 54 1 n ASP 55 1 n ASP 56 1 n GLN 57 1 n ALA 58 1 n GLN 59 1 n PHE 60 1 n GLU 61 1 n ALA 62 1 n ILE 63 1 n CYS 64 1 n ARG 65 1 n ARG 66 1 n TRP 67 1 n TYR 68 1 n ARG 69 1 n ALA 70 1 n HIS 71 1 n VAL 72 1 n ARG 73 1 n GLY 74 1 n GLU 75 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-06 19:40:15)" _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 93.74 _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 94.53 1 1 A GLU 2 2 91.37 1 2 A MET 3 2 93.63 1 3 A GLN 4 2 95.35 1 4 A ILE 5 2 97.60 1 5 A ASN 6 2 91.19 1 6 A SER 7 2 96.42 1 7 A ARG 8 2 81.43 1 8 A LYS 9 2 86.64 1 9 A LEU 10 2 93.72 1 10 A GLY 11 2 95.51 1 11 A ARG 12 2 89.29 1 12 A THR 13 2 96.85 1 13 A ILE 14 2 95.59 1 14 A THR 15 2 97.84 1 15 A PHE 16 2 98.11 1 16 A SER 17 2 97.06 1 17 A ARG 18 2 94.53 1 18 A PRO 19 2 94.66 1 19 A GLY 20 2 93.23 1 20 A ALA 21 2 90.26 1 21 A SER 22 2 93.26 1 22 A TYR 23 2 92.55 1 23 A ILE 24 2 98.08 1 24 A PHE 25 2 97.64 1 25 A ALA 26 2 98.37 1 26 A ASP 27 2 96.34 1 27 A LEU 28 2 96.42 1 28 A ASN 29 2 96.50 1 29 A GLY 30 2 96.24 1 30 A LYS 31 2 94.28 1 31 A SER 32 2 92.52 1 32 A GLY 33 2 96.10 1 33 A THR 34 2 95.84 1 34 A LEU 35 2 95.93 1 35 A GLY 36 2 97.83 1 36 A CYS 37 2 97.55 1 37 A GLN 38 2 91.00 1 38 A ILE 39 2 97.87 1 39 A CYS 40 2 97.36 1 40 A SER 41 2 94.80 1 41 A GLY 42 2 96.49 1 42 A GLY 43 2 97.55 1 43 A GLY 44 2 97.60 1 44 A THR 45 2 96.42 1 45 A MET 46 2 89.94 1 46 A GLY 47 2 95.70 1 47 A SER 48 2 93.65 1 48 A THR 49 2 92.87 1 49 A LEU 50 2 95.25 1 50 A SER 51 2 95.14 1 51 A TYR 52 2 97.07 1 52 A ASP 53 2 90.92 1 53 A GLY 54 2 96.36 1 54 A ASP 55 2 91.24 1 55 A ASP 56 2 96.27 1 56 A GLN 57 2 97.06 1 57 A ALA 58 2 98.18 1 58 A GLN 59 2 91.28 1 59 A PHE 60 2 98.06 1 60 A GLU 61 2 96.77 1 61 A ALA 62 2 98.16 1 62 A ILE 63 2 97.58 1 63 A CYS 64 2 98.03 1 64 A ARG 65 2 91.77 1 65 A ARG 66 2 84.74 1 66 A TRP 67 2 97.51 1 67 A TYR 68 2 97.06 1 68 A ARG 69 2 87.79 1 69 A ALA 70 2 97.61 1 70 A HIS 71 2 95.73 1 71 A VAL 72 2 94.83 1 72 A ARG 73 2 85.62 1 73 A GLY 74 2 85.68 1 74 A GLU 75 2 65.78 1 75 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n GLU . 2 A 2 A 3 1 n MET . 3 A 3 A 4 1 n GLN . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n ASN . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n ARG . 8 A 8 A 9 1 n LYS . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n ARG . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n ARG . 18 A 18 A 19 1 n PRO . 19 A 19 A 20 1 n GLY . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n TYR . 23 A 23 A 24 1 n ILE . 24 A 24 A 25 1 n PHE . 25 A 25 A 26 1 n ALA . 26 A 26 A 27 1 n ASP . 27 A 27 A 28 1 n LEU . 28 A 28 A 29 1 n ASN . 29 A 29 A 30 1 n GLY . 30 A 30 A 31 1 n LYS . 31 A 31 A 32 1 n SER . 32 A 32 A 33 1 n GLY . 33 A 33 A 34 1 n THR . 34 A 34 A 35 1 n LEU . 35 A 35 A 36 1 n GLY . 36 A 36 A 37 1 n CYS . 37 A 37 A 38 1 n GLN . 38 A 38 A 39 1 n ILE . 39 A 39 A 40 1 n CYS . 40 A 40 A 41 1 n SER . 41 A 41 A 42 1 n GLY . 42 A 42 A 43 1 n GLY . 43 A 43 A 44 1 n GLY . 44 A 44 A 45 1 n THR . 45 A 45 A 46 1 n MET . 46 A 46 A 47 1 n GLY . 47 A 47 A 48 1 n SER . 48 A 48 A 49 1 n THR . 49 A 49 A 50 1 n LEU . 50 A 50 A 51 1 n SER . 51 A 51 A 52 1 n TYR . 52 A 52 A 53 1 n ASP . 53 A 53 A 54 1 n GLY . 54 A 54 A 55 1 n ASP . 55 A 55 A 56 1 n ASP . 56 A 56 A 57 1 n GLN . 57 A 57 A 58 1 n ALA . 58 A 58 A 59 1 n GLN . 59 A 59 A 60 1 n PHE . 60 A 60 A 61 1 n GLU . 61 A 61 A 62 1 n ALA . 62 A 62 A 63 1 n ILE . 63 A 63 A 64 1 n CYS . 64 A 64 A 65 1 n ARG . 65 A 65 A 66 1 n ARG . 66 A 66 A 67 1 n TRP . 67 A 67 A 68 1 n TYR . 68 A 68 A 69 1 n ARG . 69 A 69 A 70 1 n ALA . 70 A 70 A 71 1 n HIS . 71 A 71 A 72 1 n VAL . 72 A 72 A 73 1 n ARG . 73 A 73 A 74 1 n GLY . 74 A 74 A 75 1 n GLU . 75 A 75 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (fa08f1a239cfd4fd49a5c37bef32bd41139da97e359ba389d3209450484ef018)" # _struct_asym.entity_id 1 _struct_asym.id A # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? 14.297 1.190 1.773 1.00 95.20 1 A 1 ATOM 2 C CA . MET A 1 1 ? 13.599 2.098 2.703 1.00 96.59 1 A 1 ATOM 3 C C . MET A 1 1 ? 12.438 1.342 3.305 1.00 97.12 1 A 1 ATOM 4 O O . MET A 1 1 ? 11.836 0.538 2.601 1.00 96.39 1 A 1 ATOM 5 C CB . MET A 1 1 ? 13.075 3.354 2.000 1.00 95.04 1 A 1 ATOM 6 C CG . MET A 1 1 ? 14.185 4.126 1.304 1.00 92.17 1 A 1 ATOM 7 S SD . MET A 1 1 ? 13.603 5.613 0.468 1.00 93.27 1 A 1 ATOM 8 C CE . MET A 1 1 ? 13.691 6.761 1.858 1.00 90.50 1 A 1 ATOM 9 N N . GLU A 1 2 ? 12.129 1.601 4.567 1.00 97.52 2 A 1 ATOM 10 C CA . GLU A 1 2 ? 11.044 0.939 5.291 1.00 97.49 2 A 1 ATOM 11 C C . GLU A 1 2 ? 10.419 1.903 6.304 1.00 97.78 2 A 1 ATOM 12 O O . GLU A 1 2 ? 11.094 2.790 6.837 1.00 97.06 2 A 1 ATOM 13 C CB . GLU A 1 2 ? 11.572 -0.334 5.971 1.00 95.83 2 A 1 ATOM 14 C CG . GLU A 1 2 ? 10.441 -1.199 6.545 1.00 86.85 2 A 1 ATOM 15 C CD . GLU A 1 2 ? 10.967 -2.520 7.112 1.00 88.17 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? 10.927 -2.670 8.348 1.00 80.54 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? 11.379 -3.364 6.289 1.00 81.11 2 A 1 ATOM 18 N N . MET A 1 3 ? 9.106 1.744 6.551 1.00 97.02 3 A 1 ATOM 19 C CA . MET A 1 3 ? 8.413 2.356 7.682 1.00 96.95 3 A 1 ATOM 20 C C . MET A 1 3 ? 7.277 1.461 8.175 1.00 97.79 3 A 1 ATOM 21 O O . MET A 1 3 ? 6.746 0.638 7.438 1.00 97.29 3 A 1 ATOM 22 C CB . MET A 1 3 ? 7.881 3.752 7.322 1.00 93.72 3 A 1 ATOM 23 C CG . MET A 1 3 ? 6.675 3.722 6.372 1.00 90.81 3 A 1 ATOM 24 S SD . MET A 1 3 ? 5.742 5.272 6.231 1.00 90.44 3 A 1 ATOM 25 C CE . MET A 1 3 ? 5.154 5.473 7.922 1.00 84.99 3 A 1 ATOM 26 N N . GLN A 1 4 ? 6.845 1.694 9.413 1.00 98.17 4 A 1 ATOM 27 C CA . GLN A 1 4 ? 5.724 0.981 10.017 1.00 98.24 4 A 1 ATOM 28 C C . GLN A 1 4 ? 4.623 1.943 10.474 1.00 98.31 4 A 1 ATOM 29 O O . GLN A 1 4 ? 4.886 3.037 10.984 1.00 97.88 4 A 1 ATOM 30 C CB . GLN A 1 4 ? 6.221 0.102 11.168 1.00 97.87 4 A 1 ATOM 31 C CG . GLN A 1 4 ? 7.116 -1.039 10.654 1.00 96.13 4 A 1 ATOM 32 C CD . GLN A 1 4 ? 7.549 -1.999 11.752 1.00 94.93 4 A 1 ATOM 33 O OE1 . GLN A 1 4 ? 7.359 -1.777 12.936 1.00 89.35 4 A 1 ATOM 34 N NE2 . GLN A 1 4 ? 8.143 -3.113 11.391 1.00 87.30 4 A 1 ATOM 35 N N . ILE A 1 5 ? 3.368 1.520 10.309 1.00 98.20 5 A 1 ATOM 36 C CA . ILE A 1 5 ? 2.194 2.209 10.848 1.00 98.23 5 A 1 ATOM 37 C C . ILE A 1 5 ? 1.423 1.226 11.727 1.00 98.24 5 A 1 ATOM 38 O O . ILE A 1 5 ? 0.905 0.224 11.240 1.00 98.01 5 A 1 ATOM 39 C CB . ILE A 1 5 ? 1.304 2.795 9.722 1.00 98.10 5 A 1 ATOM 40 C CG1 . ILE A 1 5 ? 2.090 3.845 8.905 1.00 97.26 5 A 1 ATOM 41 C CG2 . ILE A 1 5 ? 0.029 3.417 10.327 1.00 96.82 5 A 1 ATOM 42 C CD1 . ILE A 1 5 ? 1.307 4.489 7.753 1.00 95.94 5 A 1 ATOM 43 N N . ASN A 1 6 ? 1.269 1.545 13.006 1.00 97.92 6 A 1 ATOM 44 C CA . ASN A 1 6 ? 0.343 0.822 13.873 1.00 97.73 6 A 1 ATOM 45 C C . ASN A 1 6 ? -1.099 1.258 13.553 1.00 97.57 6 A 1 ATOM 46 O O . ASN A 1 6 ? -1.525 2.365 13.894 1.00 96.78 6 A 1 ATOM 47 C CB . ASN A 1 6 ? 0.750 1.037 15.341 1.00 97.31 6 A 1 ATOM 48 C CG . ASN A 1 6 ? -0.058 0.162 16.293 1.00 87.18 6 A 1 ATOM 49 O OD1 . ASN A 1 6 ? -1.077 -0.421 15.962 1.00 77.41 6 A 1 ATOM 50 N ND2 . ASN A 1 6 ? 0.376 0.042 17.525 1.00 77.64 6 A 1 ATOM 51 N N . SER A 1 7 ? -1.838 0.405 12.857 1.00 97.24 7 A 1 ATOM 52 C CA . SER A 1 7 ? -3.200 0.663 12.410 1.00 96.96 7 A 1 ATOM 53 C C . SER A 1 7 ? -4.211 0.172 13.441 1.00 96.86 7 A 1 ATOM 54 O O . SER A 1 7 ? -4.520 -1.018 13.515 1.00 96.23 7 A 1 ATOM 55 C CB . SER A 1 7 ? -3.450 0.003 11.056 1.00 96.49 7 A 1 ATOM 56 O OG . SER A 1 7 ? -4.770 0.310 10.638 1.00 94.76 7 A 1 ATOM 57 N N . ARG A 1 8 ? -4.811 1.105 14.176 1.00 95.45 8 A 1 ATOM 58 C CA . ARG A 1 8 ? -5.942 0.786 15.066 1.00 95.07 8 A 1 ATOM 59 C C . ARG A 1 8 ? -7.152 0.253 14.290 1.00 95.14 8 A 1 ATOM 60 O O . ARG A 1 8 ? -7.845 -0.617 14.790 1.00 93.52 8 A 1 ATOM 61 C CB . ARG A 1 8 ? -6.356 2.018 15.884 1.00 94.60 8 A 1 ATOM 62 C CG . ARG A 1 8 ? -5.262 2.481 16.856 1.00 86.06 8 A 1 ATOM 63 C CD . ARG A 1 8 ? -5.780 3.660 17.685 1.00 82.12 8 A 1 ATOM 64 N NE . ARG A 1 8 ? -4.742 4.188 18.585 1.00 73.43 8 A 1 ATOM 65 C CZ . ARG A 1 8 ? -4.850 5.252 19.365 1.00 64.91 8 A 1 ATOM 66 N NH1 . ARG A 1 8 ? -5.941 5.966 19.415 1.00 59.51 8 A 1 ATOM 67 N NH2 . ARG A 1 8 ? -3.851 5.629 20.115 1.00 55.92 8 A 1 ATOM 68 N N . LYS A 1 9 ? -7.393 0.778 13.067 1.00 95.39 9 A 1 ATOM 69 C CA . LYS A 1 9 ? -8.531 0.348 12.241 1.00 94.77 9 A 1 ATOM 70 C C . LYS A 1 9 ? -8.379 -1.091 11.751 1.00 95.06 9 A 1 ATOM 71 O O . LYS A 1 9 ? -9.348 -1.837 11.782 1.00 93.72 9 A 1 ATOM 72 C CB . LYS A 1 9 ? -8.756 1.334 11.080 1.00 93.73 9 A 1 ATOM 73 C CG . LYS A 1 9 ? -10.025 0.950 10.291 1.00 84.97 9 A 1 ATOM 74 C CD . LYS A 1 9 ? -10.517 2.016 9.308 1.00 80.51 9 A 1 ATOM 75 C CE . LYS A 1 9 ? -11.772 1.461 8.619 1.00 74.84 9 A 1 ATOM 76 N NZ . LYS A 1 9 ? -12.422 2.389 7.671 1.00 66.75 9 A 1 ATOM 77 N N . LEU A 1 10 ? -7.179 -1.473 11.343 1.00 95.10 10 A 1 ATOM 78 C CA . LEU A 1 10 ? -6.888 -2.831 10.869 1.00 94.85 10 A 1 ATOM 79 C C . LEU A 1 10 ? -6.434 -3.777 11.994 1.00 95.16 10 A 1 ATOM 80 O O . LEU A 1 10 ? -6.186 -4.946 11.738 1.00 94.16 10 A 1 ATOM 81 C CB . LEU A 1 10 ? -5.864 -2.753 9.721 1.00 94.68 10 A 1 ATOM 82 C CG . LEU A 1 10 ? -6.323 -1.911 8.511 1.00 93.78 10 A 1 ATOM 83 C CD1 . LEU A 1 10 ? -5.224 -1.874 7.460 1.00 91.23 10 A 1 ATOM 84 C CD2 . LEU A 1 10 ? -7.582 -2.467 7.852 1.00 90.81 10 A 1 ATOM 85 N N . GLY A 1 11 ? -6.289 -3.269 13.229 1.00 95.54 11 A 1 ATOM 86 C CA . GLY A 1 11 ? -5.890 -4.070 14.390 1.00 95.68 11 A 1 ATOM 87 C C . GLY A 1 11 ? -4.463 -4.630 14.328 1.00 96.01 11 A 1 ATOM 88 O O . GLY A 1 11 ? -4.164 -5.596 15.025 1.00 94.81 11 A 1 ATOM 89 N N . ARG A 1 12 ? -3.590 -4.066 13.478 1.00 96.46 12 A 1 ATOM 90 C CA . ARG A 1 12 ? -2.220 -4.565 13.277 1.00 96.34 12 A 1 ATOM 91 C C . ARG A 1 12 ? -1.246 -3.469 12.845 1.00 97.20 12 A 1 ATOM 92 O O . ARG A 1 12 ? -1.649 -2.400 12.392 1.00 96.98 12 A 1 ATOM 93 C CB . ARG A 1 12 ? -2.226 -5.726 12.271 1.00 94.79 12 A 1 ATOM 94 C CG . ARG A 1 12 ? -2.613 -5.304 10.844 1.00 91.97 12 A 1 ATOM 95 C CD . ARG A 1 12 ? -2.554 -6.527 9.928 1.00 90.60 12 A 1 ATOM 96 N NE . ARG A 1 12 ? -2.929 -6.183 8.551 1.00 85.24 12 A 1 ATOM 97 C CZ . ARG A 1 12 ? -2.866 -6.997 7.521 1.00 81.40 12 A 1 ATOM 98 N NH1 . ARG A 1 12 ? -2.430 -8.221 7.625 1.00 77.20 12 A 1 ATOM 99 N NH2 . ARG A 1 12 ? -3.249 -6.596 6.354 1.00 74.06 12 A 1 ATOM 100 N N . THR A 1 13 ? 0.034 -3.773 12.941 1.00 97.56 13 A 1 ATOM 101 C CA . THR A 1 13 ? 1.092 -2.979 12.312 1.00 97.74 13 A 1 ATOM 102 C C . THR A 1 13 ? 1.169 -3.323 10.828 1.00 97.77 13 A 1 ATOM 103 O O . THR A 1 13 ? 1.141 -4.497 10.470 1.00 97.28 13 A 1 ATOM 104 C CB . THR A 1 13 ? 2.438 -3.215 13.006 1.00 97.48 13 A 1 ATOM 105 O OG1 . THR A 1 13 ? 2.302 -2.883 14.371 1.00 94.98 13 A 1 ATOM 106 C CG2 . THR A 1 13 ? 3.557 -2.337 12.452 1.00 95.12 13 A 1 ATOM 107 N N . ILE A 1 14 ? 1.241 -2.295 9.980 1.00 98.10 14 A 1 ATOM 108 C CA . ILE A 1 14 ? 1.503 -2.416 8.543 1.00 98.10 14 A 1 ATOM 109 C C . ILE A 1 14 ? 2.922 -1.937 8.292 1.00 98.29 14 A 1 ATOM 110 O O . ILE A 1 14 ? 3.266 -0.812 8.663 1.00 98.14 14 A 1 ATOM 111 C CB . ILE A 1 14 ? 0.506 -1.587 7.707 1.00 97.64 14 A 1 ATOM 112 C CG1 . ILE A 1 14 ? -0.955 -1.962 8.020 1.00 94.62 14 A 1 ATOM 113 C CG2 . ILE A 1 14 ? 0.787 -1.775 6.199 1.00 94.42 14 A 1 ATOM 114 C CD1 . ILE A 1 14 ? -1.942 -0.964 7.416 1.00 85.38 14 A 1 ATOM 115 N N . THR A 1 15 ? 3.698 -2.771 7.629 1.00 98.38 15 A 1 ATOM 116 C CA . THR A 1 15 ? 5.053 -2.455 7.191 1.00 98.40 15 A 1 ATOM 117 C C . THR A 1 15 ? 5.025 -2.065 5.721 1.00 98.48 15 A 1 ATOM 118 O O . THR A 1 15 ? 4.565 -2.823 4.868 1.00 98.33 15 A 1 ATOM 119 C CB . THR A 1 15 ? 5.997 -3.644 7.420 1.00 98.14 15 A 1 ATOM 120 O OG1 . THR A 1 15 ? 5.914 -4.069 8.761 1.00 96.51 15 A 1 ATOM 121 C CG2 . THR A 1 15 ? 7.453 -3.278 7.147 1.00 96.62 15 A 1 ATOM 122 N N . PHE A 1 16 ? 5.511 -0.866 5.418 1.00 98.44 16 A 1 ATOM 123 C CA . PHE A 1 16 ? 5.762 -0.398 4.063 1.00 98.46 16 A 1 ATOM 124 C C . PHE A 1 16 ? 7.239 -0.562 3.756 1.00 98.37 16 A 1 ATOM 125 O O . PHE A 1 16 ? 8.080 -0.161 4.561 1.00 98.05 16 A 1 ATOM 126 C CB . PHE A 1 16 ? 5.348 1.065 3.908 1.00 98.42 16 A 1 ATOM 127 C CG . PHE A 1 16 ? 3.865 1.293 4.075 1.00 98.43 16 A 1 ATOM 128 C CD1 . PHE A 1 16 ? 3.026 1.296 2.946 1.00 97.83 16 A 1 ATOM 129 C CD2 . PHE A 1 16 ? 3.320 1.476 5.360 1.00 97.98 16 A 1 ATOM 130 C CE1 . PHE A 1 16 ? 1.643 1.481 3.103 1.00 97.73 16 A 1 ATOM 131 C CE2 . PHE A 1 16 ? 1.936 1.654 5.518 1.00 97.66 16 A 1 ATOM 132 C CZ . PHE A 1 16 ? 1.097 1.655 4.388 1.00 97.87 16 A 1 ATOM 133 N N . SER A 1 17 ? 7.547 -1.091 2.589 1.00 98.21 17 A 1 ATOM 134 C CA . SER A 1 17 ? 8.926 -1.291 2.151 1.00 98.11 17 A 1 ATOM 135 C C . SER A 1 17 ? 9.113 -0.928 0.684 1.00 98.27 17 A 1 ATOM 136 O O . SER A 1 17 ? 8.207 -1.074 -0.137 1.00 97.98 17 A 1 ATOM 137 C CB . SER A 1 17 ? 9.382 -2.728 2.442 1.00 97.32 17 A 1 ATOM 138 O OG . SER A 1 17 ? 8.546 -3.668 1.796 1.00 92.50 17 A 1 ATOM 139 N N . ARG A 1 18 ? 10.308 -0.481 0.348 1.00 97.89 18 A 1 ATOM 140 C CA . ARG A 1 18 ? 10.793 -0.303 -1.024 1.00 97.92 18 A 1 ATOM 141 C C . ARG A 1 18 ? 12.031 -1.187 -1.216 1.00 97.65 18 A 1 ATOM 142 O O . ARG A 1 18 ? 13.153 -0.710 -1.025 1.00 96.77 18 A 1 ATOM 143 C CB . ARG A 1 18 ? 11.052 1.187 -1.293 1.00 97.56 18 A 1 ATOM 144 C CG . ARG A 1 18 ? 11.345 1.436 -2.781 1.00 96.98 18 A 1 ATOM 145 C CD . ARG A 1 18 ? 11.805 2.870 -3.044 1.00 95.84 18 A 1 ATOM 146 N NE . ARG A 1 18 ? 13.171 3.102 -2.531 1.00 92.74 18 A 1 ATOM 147 C CZ . ARG A 1 18 ? 13.942 4.140 -2.806 1.00 92.67 18 A 1 ATOM 148 N NH1 . ARG A 1 18 ? 13.542 5.124 -3.552 1.00 86.94 18 A 1 ATOM 149 N NH2 . ARG A 1 18 ? 15.154 4.218 -2.341 1.00 86.90 18 A 1 ATOM 150 N N . PRO A 1 19 ? 11.841 -2.479 -1.533 1.00 97.00 19 A 1 ATOM 151 C CA . PRO A 1 19 ? 12.953 -3.421 -1.676 1.00 95.75 19 A 1 ATOM 152 C C . PRO A 1 19 ? 13.780 -3.204 -2.953 1.00 94.52 19 A 1 ATOM 153 O O . PRO A 1 19 ? 14.906 -3.678 -3.042 1.00 88.87 19 A 1 ATOM 154 C CB . PRO A 1 19 ? 12.290 -4.802 -1.664 1.00 94.90 19 A 1 ATOM 155 C CG . PRO A 1 19 ? 10.910 -4.531 -2.253 1.00 94.86 19 A 1 ATOM 156 C CD . PRO A 1 19 ? 10.565 -3.154 -1.708 1.00 96.74 19 A 1 ATOM 157 N N . GLY A 1 20 ? 13.217 -2.489 -3.939 1.00 93.99 20 A 1 ATOM 158 C CA . GLY A 1 20 ? 13.880 -2.125 -5.191 1.00 93.19 20 A 1 ATOM 159 C C . GLY A 1 20 ? 14.098 -0.617 -5.333 1.00 94.01 20 A 1 ATOM 160 O O . GLY A 1 20 ? 14.090 0.130 -4.354 1.00 91.72 20 A 1 ATOM 161 N N . ALA A 1 21 ? 14.275 -0.174 -6.580 1.00 91.69 21 A 1 ATOM 162 C CA . ALA A 1 21 ? 14.538 1.229 -6.891 1.00 91.24 21 A 1 ATOM 163 C C . ALA A 1 21 ? 13.319 2.135 -6.644 1.00 92.21 21 A 1 ATOM 164 O O . ALA A 1 21 ? 13.485 3.215 -6.089 1.00 87.77 21 A 1 ATOM 165 C CB . ALA A 1 21 ? 15.037 1.321 -8.337 1.00 88.40 21 A 1 ATOM 166 N N . SER A 1 22 ? 12.109 1.688 -7.002 1.00 95.52 22 A 1 ATOM 167 C CA . SER A 1 22 ? 10.947 2.577 -7.136 1.00 95.75 22 A 1 ATOM 168 C C . SER A 1 22 ? 9.690 2.105 -6.413 1.00 96.53 22 A 1 ATOM 169 O O . SER A 1 22 ? 9.046 2.881 -5.717 1.00 94.95 22 A 1 ATOM 170 C CB . SER A 1 22 ? 10.610 2.751 -8.620 1.00 92.91 22 A 1 ATOM 171 O OG . SER A 1 22 ? 11.765 3.029 -9.374 1.00 83.92 22 A 1 ATOM 172 N N . TYR A 1 23 ? 9.281 0.846 -6.603 1.00 97.25 23 A 1 ATOM 173 C CA . TYR A 1 23 ? 7.967 0.386 -6.157 1.00 97.38 23 A 1 ATOM 174 C C . TYR A 1 23 ? 7.885 0.188 -4.645 1.00 97.71 23 A 1 ATOM 175 O O . TYR A 1 23 ? 8.801 -0.343 -4.012 1.00 97.13 23 A 1 ATOM 176 C CB . TYR A 1 23 ? 7.566 -0.884 -6.905 1.00 96.63 23 A 1 ATOM 177 C CG . TYR A 1 23 ? 7.426 -0.717 -8.406 1.00 95.12 23 A 1 ATOM 178 C CD1 . TYR A 1 23 ? 6.673 0.351 -8.940 1.00 90.60 23 A 1 ATOM 179 C CD2 . TYR A 1 23 ? 8.047 -1.632 -9.279 1.00 89.59 23 A 1 ATOM 180 C CE1 . TYR A 1 23 ? 6.544 0.504 -10.333 1.00 87.56 23 A 1 ATOM 181 C CE2 . TYR A 1 23 ? 7.915 -1.486 -10.674 1.00 87.85 23 A 1 ATOM 182 C CZ . TYR A 1 23 ? 7.163 -0.415 -11.199 1.00 88.01 23 A 1 ATOM 183 O OH . TYR A 1 23 ? 7.031 -0.268 -12.546 1.00 85.74 23 A 1 ATOM 184 N N . ILE A 1 24 ? 6.731 0.591 -4.084 1.00 98.07 24 A 1 ATOM 185 C CA . ILE A 1 24 ? 6.447 0.495 -2.654 1.00 98.32 24 A 1 ATOM 186 C C . ILE A 1 24 ? 5.440 -0.634 -2.427 1.00 98.35 24 A 1 ATOM 187 O O . ILE A 1 24 ? 4.442 -0.752 -3.138 1.00 98.22 24 A 1 ATOM 188 C CB . ILE A 1 24 ? 5.952 1.846 -2.094 1.00 98.35 24 A 1 ATOM 189 C CG1 . ILE A 1 24 ? 6.918 3.002 -2.450 1.00 97.96 24 A 1 ATOM 190 C CG2 . ILE A 1 24 ? 5.779 1.736 -0.567 1.00 98.00 24 A 1 ATOM 191 C CD1 . ILE A 1 24 ? 6.399 4.390 -2.059 1.00 97.39 24 A 1 ATOM 192 N N . PHE A 1 25 ? 5.693 -1.437 -1.407 1.00 98.23 25 A 1 ATOM 193 C CA . PHE A 1 25 ? 4.860 -2.571 -1.019 1.00 98.29 25 A 1 ATOM 194 C C . PHE A 1 25 ? 4.395 -2.416 0.427 1.00 98.37 25 A 1 ATOM 195 O O . PHE A 1 25 ? 5.133 -1.897 1.265 1.00 98.25 25 A 1 ATOM 196 C CB . PHE A 1 25 ? 5.639 -3.875 -1.215 1.00 98.06 25 A 1 ATOM 197 C CG . PHE A 1 25 ? 6.068 -4.142 -2.647 1.00 97.95 25 A 1 ATOM 198 C CD1 . PHE A 1 25 ? 5.301 -4.989 -3.470 1.00 97.24 25 A 1 ATOM 199 C CD2 . PHE A 1 25 ? 7.229 -3.535 -3.166 1.00 97.32 25 A 1 ATOM 200 C CE1 . PHE A 1 25 ? 5.691 -5.227 -4.798 1.00 96.78 25 A 1 ATOM 201 C CE2 . PHE A 1 25 ? 7.612 -3.767 -4.500 1.00 96.76 25 A 1 ATOM 202 C CZ . PHE A 1 25 ? 6.844 -4.615 -5.315 1.00 96.74 25 A 1 ATOM 203 N N . ALA A 1 26 ? 3.182 -2.894 0.720 1.00 98.44 26 A 1 ATOM 204 C CA . ALA A 1 26 ? 2.636 -3.009 2.067 1.00 98.48 26 A 1 ATOM 205 C C . ALA A 1 26 ? 2.343 -4.479 2.398 1.00 98.47 26 A 1 ATOM 206 O O . ALA A 1 26 ? 1.859 -5.229 1.551 1.00 98.15 26 A 1 ATOM 207 C CB . ALA A 1 26 ? 1.377 -2.132 2.178 1.00 98.32 26 A 1 ATOM 208 N N . ASP A 1 27 ? 2.588 -4.890 3.636 1.00 98.41 27 A 1 ATOM 209 C CA . ASP A 1 27 ? 2.401 -6.274 4.099 1.00 98.26 27 A 1 ATOM 210 C C . ASP A 1 27 ? 0.936 -6.662 4.390 1.00 98.14 27 A 1 ATOM 211 O O . ASP A 1 27 ? 0.648 -7.459 5.284 1.00 97.23 27 A 1 ATOM 212 C CB . ASP A 1 27 ? 3.346 -6.554 5.281 1.00 97.69 27 A 1 ATOM 213 C CG . ASP A 1 27 ? 2.953 -5.821 6.572 1.00 96.12 27 A 1 ATOM 214 O OD1 . ASP A 1 27 ? 2.062 -4.940 6.515 1.00 92.86 27 A 1 ATOM 215 O OD2 . ASP A 1 27 ? 3.565 -6.121 7.615 1.00 92.02 27 A 1 ATOM 216 N N . LEU A 1 28 ? -0.028 -6.127 3.624 1.00 97.86 28 A 1 ATOM 217 C CA . LEU A 1 28 ? -1.467 -6.370 3.824 1.00 97.43 28 A 1 ATOM 218 C C . LEU A 1 28 ? -1.848 -7.853 3.760 1.00 97.15 28 A 1 ATOM 219 O O . LEU A 1 28 ? -2.830 -8.269 4.372 1.00 96.02 28 A 1 ATOM 220 C CB . LEU A 1 28 ? -2.275 -5.602 2.769 1.00 97.16 28 A 1 ATOM 221 C CG . LEU A 1 28 ? -2.119 -4.080 2.804 1.00 96.39 28 A 1 ATOM 222 C CD1 . LEU A 1 28 ? -2.945 -3.493 1.662 1.00 94.78 28 A 1 ATOM 223 C CD2 . LEU A 1 28 ? -2.590 -3.468 4.123 1.00 94.54 28 A 1 ATOM 224 N N . ASN A 1 29 ? -1.071 -8.647 3.035 1.00 97.48 29 A 1 ATOM 225 C CA . ASN A 1 29 ? -1.212 -10.099 2.923 1.00 97.20 29 A 1 ATOM 226 C C . ASN A 1 29 ? -0.343 -10.883 3.931 1.00 97.03 29 A 1 ATOM 227 O O . ASN A 1 29 ? -0.231 -12.100 3.813 1.00 95.78 29 A 1 ATOM 228 C CB . ASN A 1 29 ? -0.930 -10.493 1.459 1.00 97.21 29 A 1 ATOM 229 C CG . ASN A 1 29 ? 0.500 -10.231 1.022 1.00 97.23 29 A 1 ATOM 230 O OD1 . ASN A 1 29 ? 1.323 -9.697 1.750 1.00 95.32 29 A 1 ATOM 231 N ND2 . ASN A 1 29 ? 0.845 -10.576 -0.196 1.00 94.75 29 A 1 ATOM 232 N N . GLY A 1 30 ? 0.286 -10.198 4.897 1.00 96.66 30 A 1 ATOM 233 C CA . GLY A 1 30 ? 1.201 -10.797 5.876 1.00 96.13 30 A 1 ATOM 234 C C . GLY A 1 30 ? 2.596 -11.123 5.330 1.00 96.68 30 A 1 ATOM 235 O O . GLY A 1 30 ? 3.379 -11.772 6.020 1.00 95.50 30 A 1 ATOM 236 N N . LYS A 1 31 ? 2.911 -10.692 4.098 1.00 97.25 31 A 1 ATOM 237 C CA . LYS A 1 31 ? 4.218 -10.900 3.459 1.00 97.45 31 A 1 ATOM 238 C C . LYS A 1 31 ? 4.930 -9.565 3.258 1.00 97.39 31 A 1 ATOM 239 O O . LYS A 1 31 ? 4.308 -8.571 2.891 1.00 96.64 31 A 1 ATOM 240 C CB . LYS A 1 31 ? 4.045 -11.633 2.122 1.00 97.57 31 A 1 ATOM 241 C CG . LYS A 1 31 ? 3.380 -13.011 2.271 1.00 96.52 31 A 1 ATOM 242 C CD . LYS A 1 31 ? 3.264 -13.678 0.898 1.00 93.00 31 A 1 ATOM 243 C CE . LYS A 1 31 ? 2.587 -15.046 1.021 1.00 90.29 31 A 1 ATOM 244 N NZ . LYS A 1 31 ? 2.481 -15.708 -0.302 1.00 82.40 31 A 1 ATOM 245 N N . SER A 1 32 ? 6.235 -9.552 3.464 1.00 95.94 32 A 1 ATOM 246 C CA . SER A 1 32 ? 7.064 -8.354 3.330 1.00 95.09 32 A 1 ATOM 247 C C . SER A 1 32 ? 7.735 -8.242 1.956 1.00 95.60 32 A 1 ATOM 248 O O . SER A 1 32 ? 7.755 -9.186 1.160 1.00 93.68 32 A 1 ATOM 249 C CB . SER A 1 32 ? 8.099 -8.313 4.463 1.00 92.00 32 A 1 ATOM 250 O OG . SER A 1 32 ? 8.927 -9.458 4.421 1.00 82.78 32 A 1 ATOM 251 N N . GLY A 1 33 ? 8.293 -7.064 1.680 1.00 95.35 33 A 1 ATOM 252 C CA . GLY A 1 33 ? 9.064 -6.807 0.466 1.00 95.82 33 A 1 ATOM 253 C C . GLY A 1 33 ? 8.236 -7.002 -0.806 1.00 96.90 33 A 1 ATOM 254 O O . GLY A 1 33 ? 7.060 -6.659 -0.852 1.00 96.33 33 A 1 ATOM 255 N N . THR A 1 34 ? 8.840 -7.580 -1.838 1.00 96.93 34 A 1 ATOM 256 C CA . THR A 1 34 ? 8.191 -7.854 -3.134 1.00 97.09 34 A 1 ATOM 257 C C . THR A 1 34 ? 7.070 -8.898 -3.060 1.00 97.42 34 A 1 ATOM 258 O O . THR A 1 34 ? 6.294 -9.023 -4.000 1.00 96.86 34 A 1 ATOM 259 C CB . THR A 1 34 ? 9.220 -8.326 -4.169 1.00 96.47 34 A 1 ATOM 260 O OG1 . THR A 1 34 ? 9.939 -9.432 -3.671 1.00 93.81 34 A 1 ATOM 261 C CG2 . THR A 1 34 ? 10.238 -7.239 -4.505 1.00 92.33 34 A 1 ATOM 262 N N . LEU A 1 35 ? 6.957 -9.633 -1.960 1.00 97.35 35 A 1 ATOM 263 C CA . LEU A 1 35 ? 5.857 -10.571 -1.714 1.00 97.53 35 A 1 ATOM 264 C C . LEU A 1 35 ? 4.626 -9.886 -1.105 1.00 97.65 35 A 1 ATOM 265 O O . LEU A 1 35 ? 3.550 -10.486 -1.054 1.00 97.22 35 A 1 ATOM 266 C CB . LEU A 1 35 ? 6.352 -11.717 -0.814 1.00 97.35 35 A 1 ATOM 267 C CG . LEU A 1 35 ? 7.526 -12.537 -1.374 1.00 95.73 35 A 1 ATOM 268 C CD1 . LEU A 1 35 ? 7.923 -13.607 -0.357 1.00 92.41 35 A 1 ATOM 269 C CD2 . LEU A 1 35 ? 7.165 -13.231 -2.690 1.00 92.18 35 A 1 ATOM 270 N N . GLY A 1 36 ? 4.770 -8.645 -0.631 1.00 97.83 36 A 1 ATOM 271 C CA . GLY A 1 36 ? 3.689 -7.801 -0.146 1.00 97.82 36 A 1 ATOM 272 C C . GLY A 1 36 ? 2.795 -7.275 -1.269 1.00 97.99 36 A 1 ATOM 273 O O . GLY A 1 36 ? 3.015 -7.517 -2.455 1.00 97.70 36 A 1 ATOM 274 N N . CYS A 1 37 ? 1.764 -6.520 -0.894 1.00 98.13 37 A 1 ATOM 275 C CA . CYS A 1 37 ? 0.870 -5.866 -1.841 1.00 98.13 37 A 1 ATOM 276 C C . CYS A 1 37 ? 1.514 -4.577 -2.357 1.00 98.30 37 A 1 ATOM 277 O O . CYS A 1 37 ? 1.815 -3.678 -1.571 1.00 97.98 37 A 1 ATOM 278 C CB . CYS A 1 37 ? -0.468 -5.583 -1.157 1.00 97.64 37 A 1 ATOM 279 S SG . CYS A 1 37 ? -1.272 -7.135 -0.673 1.00 95.11 37 A 1 ATOM 280 N N . GLN A 1 38 ? 1.687 -4.460 -3.675 1.00 97.80 38 A 1 ATOM 281 C CA . GLN A 1 38 ? 2.133 -3.215 -4.297 1.00 97.83 38 A 1 ATOM 282 C C . GLN A 1 38 ? 1.067 -2.137 -4.101 1.00 97.99 38 A 1 ATOM 283 O O . GLN A 1 38 ? -0.113 -2.373 -4.361 1.00 97.47 38 A 1 ATOM 284 C CB . GLN A 1 38 ? 2.440 -3.488 -5.770 1.00 96.93 38 A 1 ATOM 285 C CG . GLN A 1 38 ? 3.136 -2.311 -6.473 1.00 89.32 38 A 1 ATOM 286 C CD . GLN A 1 38 ? 3.577 -2.696 -7.891 1.00 86.89 38 A 1 ATOM 287 O OE1 . GLN A 1 38 ? 3.514 -3.831 -8.325 1.00 79.33 38 A 1 ATOM 288 N NE2 . GLN A 1 38 ? 4.058 -1.786 -8.689 1.00 75.45 38 A 1 ATOM 289 N N . ILE A 1 39 ? 1.453 -0.960 -3.624 1.00 98.25 39 A 1 ATOM 290 C CA . ILE A 1 39 ? 0.495 0.108 -3.332 1.00 98.29 39 A 1 ATOM 291 C C . ILE A 1 39 ? 0.212 0.960 -4.572 1.00 98.28 39 A 1 ATOM 292 O O . ILE A 1 39 ? 1.115 1.324 -5.327 1.00 98.04 39 A 1 ATOM 293 C CB . ILE A 1 39 ? 0.887 0.934 -2.086 1.00 98.21 39 A 1 ATOM 294 C CG1 . ILE A 1 39 ? 2.158 1.779 -2.272 1.00 97.71 39 A 1 ATOM 295 C CG2 . ILE A 1 39 ? 1.003 0.013 -0.858 1.00 97.07 39 A 1 ATOM 296 C CD1 . ILE A 1 39 ? 2.384 2.809 -1.156 1.00 97.10 39 A 1 ATOM 297 N N . CYS A 1 40 ? -1.063 1.298 -4.766 1.00 97.78 40 A 1 ATOM 298 C CA . CYS A 1 40 ? -1.549 2.090 -5.889 1.00 97.77 40 A 1 ATOM 299 C C . CYS A 1 40 ? -2.287 3.350 -5.416 1.00 97.75 40 A 1 ATOM 300 O O . CYS A 1 40 ? -2.748 3.450 -4.279 1.00 97.29 40 A 1 ATOM 301 C CB . CYS A 1 40 ? -2.430 1.206 -6.776 1.00 97.39 40 A 1 ATOM 302 S SG . CYS A 1 40 ? -1.467 -0.149 -7.509 1.00 96.20 40 A 1 ATOM 303 N N . SER A 1 41 ? -2.420 4.320 -6.312 1.00 97.31 41 A 1 ATOM 304 C CA . SER A 1 41 ? -3.125 5.574 -6.045 1.00 96.97 41 A 1 ATOM 305 C C . SER A 1 41 ? -4.538 5.339 -5.500 1.00 97.05 41 A 1 ATOM 306 O O . SER A 1 41 ? -5.221 4.394 -5.883 1.00 96.10 41 A 1 ATOM 307 C CB . SER A 1 41 ? -3.194 6.414 -7.323 1.00 95.76 41 A 1 ATOM 308 O OG . SER A 1 41 ? -1.889 6.811 -7.704 1.00 85.59 41 A 1 ATOM 309 N N . GLY A 1 42 ? -4.986 6.223 -4.604 1.00 96.64 42 A 1 ATOM 310 C CA . GLY A 1 42 ? -6.322 6.125 -3.997 1.00 96.39 42 A 1 ATOM 311 C C . GLY A 1 42 ? -6.429 5.179 -2.793 1.00 96.99 42 A 1 ATOM 312 O O . GLY A 1 42 ? -7.515 5.040 -2.254 1.00 95.96 42 A 1 ATOM 313 N N . GLY A 1 43 ? -5.323 4.582 -2.343 1.00 97.55 43 A 1 ATOM 314 C CA . GLY A 1 43 ? -5.328 3.667 -1.191 1.00 97.68 43 A 1 ATOM 315 C C . GLY A 1 43 ? -5.610 2.206 -1.556 1.00 97.79 43 A 1 ATOM 316 O O . GLY A 1 43 ? -5.788 1.383 -0.665 1.00 97.16 43 A 1 ATOM 317 N N . GLY A 1 44 ? -5.641 1.874 -2.852 1.00 97.53 44 A 1 ATOM 318 C CA . GLY A 1 44 ? -5.808 0.502 -3.333 1.00 97.48 44 A 1 ATOM 319 C C . GLY A 1 44 ? -4.485 -0.224 -3.593 1.00 97.94 44 A 1 ATOM 320 O O . GLY A 1 44 ? -3.397 0.327 -3.421 1.00 97.47 44 A 1 ATOM 321 N N . THR A 1 45 ? -4.601 -1.461 -4.052 1.00 97.44 45 A 1 ATOM 322 C CA . THR A 1 45 ? -3.499 -2.317 -4.529 1.00 97.39 45 A 1 ATOM 323 C C . THR A 1 45 ? -3.618 -2.630 -6.025 1.00 97.25 45 A 1 ATOM 324 O O . THR A 1 45 ? -2.881 -3.449 -6.557 1.00 96.01 45 A 1 ATOM 325 C CB . THR A 1 45 ? -3.415 -3.611 -3.708 1.00 96.98 45 A 1 ATOM 326 O OG1 . THR A 1 45 ? -4.637 -4.307 -3.769 1.00 95.64 45 A 1 ATOM 327 C CG2 . THR A 1 45 ? -3.124 -3.333 -2.230 1.00 94.26 45 A 1 ATOM 328 N N . MET A 1 46 ? -4.557 -1.973 -6.722 1.00 96.64 46 A 1 ATOM 329 C CA . MET A 1 46 ? -4.794 -2.066 -8.163 1.00 96.10 46 A 1 ATOM 330 C C . MET A 1 46 ? -4.873 -0.668 -8.779 1.00 96.16 46 A 1 ATOM 331 O O . MET A 1 46 ? -5.293 0.280 -8.119 1.00 94.26 46 A 1 ATOM 332 C CB . MET A 1 46 ? -6.090 -2.848 -8.447 1.00 94.65 46 A 1 ATOM 333 C CG . MET A 1 46 ? -6.038 -4.300 -7.966 1.00 88.21 46 A 1 ATOM 334 S SD . MET A 1 46 ? -7.542 -5.257 -8.311 1.00 82.77 46 A 1 ATOM 335 C CE . MET A 1 46 ? -7.418 -5.461 -10.104 1.00 70.77 46 A 1 ATOM 336 N N . GLY A 1 47 ? -4.512 -0.551 -10.057 1.00 95.73 47 A 1 ATOM 337 C CA . GLY A 1 47 ? -4.526 0.709 -10.801 1.00 95.55 47 A 1 ATOM 338 C C . GLY A 1 47 ? -3.145 1.357 -10.914 1.00 96.32 47 A 1 ATOM 339 O O . GLY A 1 47 ? -2.140 0.669 -11.065 1.00 95.19 47 A 1 ATOM 340 N N . SER A 1 48 ? -3.094 2.697 -10.868 1.00 96.37 48 A 1 ATOM 341 C CA . SER A 1 48 ? -1.836 3.438 -11.012 1.00 96.44 48 A 1 ATOM 342 C C . SER A 1 48 ? -0.925 3.221 -9.808 1.00 96.79 48 A 1 ATOM 343 O O . SER A 1 48 ? -1.222 3.675 -8.699 1.00 96.07 48 A 1 ATOM 344 C CB . SER A 1 48 ? -2.102 4.934 -11.197 1.00 95.49 48 A 1 ATOM 345 O OG . SER A 1 48 ? -2.892 5.148 -12.352 1.00 80.72 48 A 1 ATOM 346 N N . THR A 1 49 ? 0.191 2.546 -10.026 1.00 96.82 49 A 1 ATOM 347 C CA . THR A 1 49 ? 1.170 2.230 -8.982 1.00 96.58 49 A 1 ATOM 348 C C . THR A 1 49 ? 1.806 3.487 -8.390 1.00 96.79 49 A 1 ATOM 349 O O . THR A 1 49 ? 2.137 4.427 -9.111 1.00 95.60 49 A 1 ATOM 350 C CB . THR A 1 49 ? 2.264 1.321 -9.549 1.00 94.84 49 A 1 ATOM 351 O OG1 . THR A 1 49 ? 1.693 0.144 -10.092 1.00 85.54 49 A 1 ATOM 352 C CG2 . THR A 1 49 ? 3.250 0.890 -8.481 1.00 83.91 49 A 1 ATOM 353 N N . LEU A 1 50 ? 2.020 3.491 -7.079 1.00 96.60 50 A 1 ATOM 354 C CA . LEU A 1 50 ? 2.840 4.491 -6.408 1.00 96.34 50 A 1 ATOM 355 C C . LEU A 1 50 ? 4.300 4.034 -6.385 1.00 96.30 50 A 1 ATOM 356 O O . LEU A 1 50 ? 4.619 2.924 -5.953 1.00 95.49 50 A 1 ATOM 357 C CB . LEU A 1 50 ? 2.314 4.769 -4.994 1.00 96.09 50 A 1 ATOM 358 C CG . LEU A 1 50 ? 0.928 5.436 -4.955 1.00 95.17 50 A 1 ATOM 359 C CD1 . LEU A 1 50 ? 0.476 5.594 -3.505 1.00 92.91 50 A 1 ATOM 360 C CD2 . LEU A 1 50 ? 0.925 6.826 -5.599 1.00 93.11 50 A 1 ATOM 361 N N . SER A 1 51 ? 5.171 4.934 -6.819 1.00 96.74 51 A 1 ATOM 362 C CA . SER A 1 51 ? 6.618 4.741 -6.804 1.00 96.47 51 A 1 ATOM 363 C C . SER A 1 51 ? 7.316 5.924 -6.144 1.00 96.90 51 A 1 ATOM 364 O O . SER A 1 51 ? 6.762 7.023 -6.037 1.00 96.20 51 A 1 ATOM 365 C CB . SER A 1 51 ? 7.147 4.493 -8.220 1.00 94.77 51 A 1 ATOM 366 O OG . SER A 1 51 ? 6.862 5.579 -9.080 1.00 89.74 51 A 1 ATOM 367 N N . TYR A 1 52 ? 8.524 5.679 -5.681 1.00 96.91 52 A 1 ATOM 368 C CA . TYR A 1 52 ? 9.413 6.703 -5.157 1.00 97.40 52 A 1 ATOM 369 C C . TYR A 1 52 ? 10.863 6.337 -5.469 1.00 97.23 52 A 1 ATOM 370 O O . TYR A 1 52 ? 11.365 5.335 -4.958 1.00 96.47 52 A 1 ATOM 371 C CB . TYR A 1 52 ? 9.184 6.857 -3.648 1.00 97.56 52 A 1 ATOM 372 C CG . TYR A 1 52 ? 10.111 7.879 -3.021 1.00 97.93 52 A 1 ATOM 373 C CD1 . TYR A 1 52 ? 11.075 7.483 -2.071 1.00 97.08 52 A 1 ATOM 374 C CD2 . TYR A 1 52 ? 10.044 9.222 -3.436 1.00 97.23 52 A 1 ATOM 375 C CE1 . TYR A 1 52 ? 11.965 8.428 -1.539 1.00 96.78 52 A 1 ATOM 376 C CE2 . TYR A 1 52 ? 10.940 10.167 -2.913 1.00 96.91 52 A 1 ATOM 377 C CZ . TYR A 1 52 ? 11.905 9.771 -1.968 1.00 97.04 52 A 1 ATOM 378 O OH . TYR A 1 52 ? 12.781 10.685 -1.486 1.00 96.30 52 A 1 ATOM 379 N N . ASP A 1 53 ? 11.525 7.160 -6.270 1.00 96.92 53 A 1 ATOM 380 C CA . ASP A 1 53 ? 12.903 6.917 -6.733 1.00 96.25 53 A 1 ATOM 381 C C . ASP A 1 53 ? 13.960 7.651 -5.894 1.00 96.27 53 A 1 ATOM 382 O O . ASP A 1 53 ? 15.155 7.414 -6.043 1.00 92.21 53 A 1 ATOM 383 C CB . ASP A 1 53 ? 13.014 7.316 -8.213 1.00 94.16 53 A 1 ATOM 384 C CG . ASP A 1 53 ? 12.001 6.585 -9.101 1.00 88.82 53 A 1 ATOM 385 O OD1 . ASP A 1 53 ? 11.811 5.366 -8.899 1.00 81.43 53 A 1 ATOM 386 O OD2 . ASP A 1 53 ? 11.383 7.248 -9.959 1.00 81.32 53 A 1 ATOM 387 N N . GLY A 1 54 ? 13.522 8.544 -5.001 1.00 96.56 54 A 1 ATOM 388 C CA . GLY A 1 54 ? 14.424 9.309 -4.142 1.00 96.29 54 A 1 ATOM 389 C C . GLY A 1 54 ? 15.005 8.497 -2.979 1.00 96.69 54 A 1 ATOM 390 O O . GLY A 1 54 ? 14.655 7.336 -2.745 1.00 95.90 54 A 1 ATOM 391 N N . ASP A 1 55 ? 15.873 9.133 -2.222 1.00 96.95 55 A 1 ATOM 392 C CA . ASP A 1 55 ? 16.547 8.574 -1.041 1.00 96.51 55 A 1 ATOM 393 C C . ASP A 1 55 ? 16.126 9.249 0.278 1.00 97.09 55 A 1 ATOM 394 O O . ASP A 1 55 ? 16.500 8.783 1.357 1.00 95.93 55 A 1 ATOM 395 C CB . ASP A 1 55 ? 18.067 8.626 -1.268 1.00 94.39 55 A 1 ATOM 396 C CG . ASP A 1 55 ? 18.629 10.037 -1.501 1.00 86.83 55 A 1 ATOM 397 O OD1 . ASP A 1 55 ? 17.822 10.982 -1.664 1.00 81.18 55 A 1 ATOM 398 O OD2 . ASP A 1 55 ? 19.875 10.126 -1.572 1.00 81.05 55 A 1 ATOM 399 N N . ASP A 1 56 ? 15.269 10.278 0.209 1.00 97.35 56 A 1 ATOM 400 C CA . ASP A 1 56 ? 14.735 10.969 1.385 1.00 97.66 56 A 1 ATOM 401 C C . ASP A 1 56 ? 13.682 10.112 2.112 1.00 97.90 56 A 1 ATOM 402 O O . ASP A 1 56 ? 12.566 9.877 1.632 1.00 97.81 56 A 1 ATOM 403 C CB . ASP A 1 56 ? 14.203 12.345 0.958 1.00 97.43 56 A 1 ATOM 404 C CG . ASP A 1 56 ? 13.700 13.210 2.118 1.00 96.13 56 A 1 ATOM 405 O OD1 . ASP A 1 56 ? 13.376 12.659 3.196 1.00 93.46 56 A 1 ATOM 406 O OD2 . ASP A 1 56 ? 13.564 14.432 1.904 1.00 92.39 56 A 1 ATOM 407 N N . GLN A 1 57 ? 14.028 9.664 3.315 1.00 97.80 57 A 1 ATOM 408 C CA . GLN A 1 57 ? 13.149 8.869 4.173 1.00 97.92 57 A 1 ATOM 409 C C . GLN A 1 57 ? 11.841 9.607 4.500 1.00 98.08 57 A 1 ATOM 410 O O . GLN A 1 57 ? 10.775 8.991 4.485 1.00 98.03 57 A 1 ATOM 411 C CB . GLN A 1 57 ? 13.920 8.485 5.449 1.00 97.57 57 A 1 ATOM 412 C CG . GLN A 1 57 ? 13.117 7.621 6.429 1.00 97.01 57 A 1 ATOM 413 C CD . GLN A 1 57 ? 12.750 6.228 5.918 1.00 97.20 57 A 1 ATOM 414 O OE1 . GLN A 1 57 ? 13.379 5.646 5.047 1.00 95.31 57 A 1 ATOM 415 N NE2 . GLN A 1 57 ? 11.719 5.630 6.473 1.00 94.62 57 A 1 ATOM 416 N N . ALA A 1 58 ? 11.884 10.915 4.753 1.00 98.28 58 A 1 ATOM 417 C CA . ALA A 1 58 ? 10.691 11.677 5.114 1.00 98.26 58 A 1 ATOM 418 C C . ALA A 1 58 ? 9.687 11.754 3.952 1.00 98.27 58 A 1 ATOM 419 O O . ALA A 1 58 ? 8.475 11.637 4.167 1.00 98.02 58 A 1 ATOM 420 C CB . ALA A 1 58 ? 11.122 13.073 5.589 1.00 98.07 58 A 1 ATOM 421 N N . GLN A 1 59 ? 10.172 11.873 2.709 1.00 98.10 59 A 1 ATOM 422 C CA . GLN A 1 59 ? 9.318 11.841 1.517 1.00 97.98 59 A 1 ATOM 423 C C . GLN A 1 59 ? 8.699 10.457 1.303 1.00 98.03 59 A 1 ATOM 424 O O . GLN A 1 59 ? 7.490 10.357 1.076 1.00 97.89 59 A 1 ATOM 425 C CB . GLN A 1 59 ? 10.115 12.258 0.279 1.00 97.62 59 A 1 ATOM 426 C CG . GLN A 1 59 ? 10.500 13.742 0.304 1.00 91.52 59 A 1 ATOM 427 C CD . GLN A 1 59 ? 11.233 14.165 -0.961 1.00 86.47 59 A 1 ATOM 428 O OE1 . GLN A 1 59 ? 10.935 13.728 -2.061 1.00 78.56 59 A 1 ATOM 429 N NE2 . GLN A 1 59 ? 12.201 15.044 -0.854 1.00 75.32 59 A 1 ATOM 430 N N . PHE A 1 60 ? 9.482 9.387 1.437 1.00 97.98 60 A 1 ATOM 431 C CA . PHE A 1 60 ? 8.977 8.012 1.385 1.00 98.12 60 A 1 ATOM 432 C C . PHE A 1 60 ? 7.868 7.778 2.419 1.00 98.23 60 A 1 ATOM 433 O O . PHE A 1 60 ? 6.786 7.287 2.089 1.00 98.22 60 A 1 ATOM 434 C CB . PHE A 1 60 ? 10.152 7.042 1.594 1.00 98.07 60 A 1 ATOM 435 C CG . PHE A 1 60 ? 9.725 5.610 1.816 1.00 98.18 60 A 1 ATOM 436 C CD1 . PHE A 1 60 ? 9.711 5.065 3.116 1.00 97.96 60 A 1 ATOM 437 C CD2 . PHE A 1 60 ? 9.300 4.828 0.727 1.00 98.07 60 A 1 ATOM 438 C CE1 . PHE A 1 60 ? 9.282 3.744 3.320 1.00 97.93 60 A 1 ATOM 439 C CE2 . PHE A 1 60 ? 8.869 3.506 0.934 1.00 97.87 60 A 1 ATOM 440 C CZ . PHE A 1 60 ? 8.860 2.961 2.231 1.00 97.99 60 A 1 ATOM 441 N N . GLU A 1 61 ? 8.095 8.190 3.660 1.00 98.32 61 A 1 ATOM 442 C CA . GLU A 1 61 ? 7.097 8.090 4.725 1.00 98.31 61 A 1 ATOM 443 C C . GLU A 1 61 ? 5.833 8.902 4.422 1.00 98.27 61 A 1 ATOM 444 O O . GLU A 1 61 ? 4.723 8.435 4.678 1.00 98.14 61 A 1 ATOM 445 C CB . GLU A 1 61 ? 7.685 8.577 6.047 1.00 98.23 61 A 1 ATOM 446 C CG . GLU A 1 61 ? 8.679 7.603 6.667 1.00 97.27 61 A 1 ATOM 447 C CD . GLU A 1 61 ? 9.011 7.960 8.118 1.00 96.54 61 A 1 ATOM 448 O OE1 . GLU A 1 61 ? 10.057 7.494 8.602 1.00 92.93 61 A 1 ATOM 449 O OE2 . GLU A 1 61 ? 8.140 8.613 8.771 1.00 92.93 61 A 1 ATOM 450 N N . ALA A 1 62 ? 5.969 10.108 3.860 1.00 98.32 62 A 1 ATOM 451 C CA . ALA A 1 62 ? 4.831 10.945 3.492 1.00 98.26 62 A 1 ATOM 452 C C . ALA A 1 62 ? 3.927 10.262 2.449 1.00 98.23 62 A 1 ATOM 453 O O . ALA A 1 62 ? 2.696 10.294 2.592 1.00 97.92 62 A 1 ATOM 454 C CB . ALA A 1 62 ? 5.352 12.304 3.006 1.00 98.08 62 A 1 ATOM 455 N N . ILE A 1 63 ? 4.515 9.588 1.449 1.00 98.17 63 A 1 ATOM 456 C CA . ILE A 1 63 ? 3.784 8.797 0.446 1.00 98.11 63 A 1 ATOM 457 C C . ILE A 1 63 ? 3.027 7.652 1.127 1.00 98.14 63 A 1 ATOM 458 O O . ILE A 1 63 ? 1.809 7.529 0.949 1.00 98.01 63 A 1 ATOM 459 C CB . ILE A 1 63 ? 4.747 8.280 -0.656 1.00 98.05 63 A 1 ATOM 460 C CG1 . ILE A 1 63 ? 5.341 9.460 -1.463 1.00 97.46 63 A 1 ATOM 461 C CG2 . ILE A 1 63 ? 4.018 7.320 -1.615 1.00 97.34 63 A 1 ATOM 462 C CD1 . ILE A 1 63 ? 6.576 9.081 -2.287 1.00 95.34 63 A 1 ATOM 463 N N . CYS A 1 64 ? 3.700 6.875 1.975 1.00 98.35 64 A 1 ATOM 464 C CA . CYS A 1 64 ? 3.101 5.746 2.689 1.00 98.35 64 A 1 ATOM 465 C C . CYS A 1 64 ? 1.951 6.186 3.615 1.00 98.31 64 A 1 ATOM 466 O O . CYS A 1 64 ? 0.870 5.595 3.597 1.00 98.13 64 A 1 ATOM 467 C CB . CYS A 1 64 ? 4.194 5.021 3.487 1.00 98.23 64 A 1 ATOM 468 S SG . CYS A 1 64 ? 5.446 4.330 2.373 1.00 96.83 64 A 1 ATOM 469 N N . ARG A 1 65 ? 2.142 7.269 4.372 1.00 98.33 65 A 1 ATOM 470 C CA . ARG A 1 65 ? 1.098 7.827 5.254 1.00 98.32 65 A 1 ATOM 471 C C . ARG A 1 65 ? -0.100 8.358 4.464 1.00 98.27 65 A 1 ATOM 472 O O . ARG A 1 65 ? -1.238 8.217 4.911 1.00 98.05 65 A 1 ATOM 473 C CB . ARG A 1 65 ? 1.685 8.948 6.126 1.00 98.17 65 A 1 ATOM 474 C CG . ARG A 1 65 ? 2.686 8.448 7.178 1.00 95.66 65 A 1 ATOM 475 C CD . ARG A 1 65 ? 3.293 9.623 7.952 1.00 93.94 65 A 1 ATOM 476 N NE . ARG A 1 65 ? 4.534 9.265 8.655 1.00 88.93 65 A 1 ATOM 477 C CZ . ARG A 1 65 ? 4.692 8.659 9.815 1.00 84.82 65 A 1 ATOM 478 N NH1 . ARG A 1 65 ? 3.684 8.258 10.540 1.00 76.32 65 A 1 ATOM 479 N NH2 . ARG A 1 65 ? 5.897 8.441 10.268 1.00 78.61 65 A 1 ATOM 480 N N . ARG A 1 66 ? 0.143 8.987 3.300 1.00 98.07 66 A 1 ATOM 481 C CA . ARG A 1 66 ? -0.937 9.451 2.415 1.00 97.97 66 A 1 ATOM 482 C C . ARG A 1 66 ? -1.753 8.279 1.883 1.00 98.03 66 A 1 ATOM 483 O O . ARG A 1 66 ? -2.982 8.330 1.969 1.00 97.67 66 A 1 ATOM 484 C CB . ARG A 1 66 ? -0.350 10.306 1.281 1.00 97.55 66 A 1 ATOM 485 C CG . ARG A 1 66 ? -1.449 10.854 0.356 1.00 87.87 66 A 1 ATOM 486 C CD . ARG A 1 66 ? -0.844 11.720 -0.753 1.00 87.34 66 A 1 ATOM 487 N NE . ARG A 1 66 ? -1.876 12.202 -1.694 1.00 76.28 66 A 1 ATOM 488 C CZ . ARG A 1 66 ? -1.664 12.922 -2.782 1.00 69.70 66 A 1 ATOM 489 N NH1 . ARG A 1 66 ? -0.470 13.299 -3.139 1.00 63.21 66 A 1 ATOM 490 N NH2 . ARG A 1 66 ? -2.662 13.279 -3.542 1.00 58.44 66 A 1 ATOM 491 N N . TRP A 1 67 ? -1.090 7.247 1.391 1.00 98.17 67 A 1 ATOM 492 C CA . TRP A 1 67 ? -1.740 6.031 0.915 1.00 98.24 67 A 1 ATOM 493 C C . TRP A 1 67 ? -2.549 5.350 2.020 1.00 98.24 67 A 1 ATOM 494 O O . TRP A 1 67 ? -3.737 5.101 1.833 1.00 98.05 67 A 1 ATOM 495 C CB . TRP A 1 67 ? -0.690 5.088 0.328 1.00 98.21 67 A 1 ATOM 496 C CG . TRP A 1 67 ? -1.287 3.818 -0.194 1.00 98.06 67 A 1 ATOM 497 C CD1 . TRP A 1 67 ? -1.685 3.599 -1.468 1.00 97.17 67 A 1 ATOM 498 C CD2 . TRP A 1 67 ? -1.618 2.607 0.546 1.00 97.90 67 A 1 ATOM 499 N NE1 . TRP A 1 67 ? -2.239 2.340 -1.568 1.00 97.12 67 A 1 ATOM 500 C CE2 . TRP A 1 67 ? -2.234 1.687 -0.358 1.00 97.57 67 A 1 ATOM 501 C CE3 . TRP A 1 67 ? -1.472 2.194 1.891 1.00 97.01 67 A 1 ATOM 502 C CZ2 . TRP A 1 67 ? -2.690 0.427 0.051 1.00 96.72 67 A 1 ATOM 503 C CZ3 . TRP A 1 67 ? -1.924 0.932 2.311 1.00 96.37 67 A 1 ATOM 504 C CH2 . TRP A 1 67 ? -2.534 0.053 1.396 1.00 96.27 67 A 1 ATOM 505 N N . TYR A 1 68 ? -1.961 5.140 3.198 1.00 98.18 68 A 1 ATOM 506 C CA . TYR A 1 68 ? -2.642 4.548 4.351 1.00 98.17 68 A 1 ATOM 507 C C . TYR A 1 68 ? -3.920 5.312 4.718 1.00 98.10 68 A 1 ATOM 508 O O . TYR A 1 68 ? -4.971 4.704 4.908 1.00 97.88 68 A 1 ATOM 509 C CB . TYR A 1 68 ? -1.681 4.497 5.544 1.00 98.08 68 A 1 ATOM 510 C CG . TYR A 1 68 ? -2.375 4.160 6.850 1.00 97.84 68 A 1 ATOM 511 C CD1 . TYR A 1 68 ? -2.661 5.175 7.787 1.00 96.80 68 A 1 ATOM 512 C CD2 . TYR A 1 68 ? -2.801 2.842 7.102 1.00 96.77 68 A 1 ATOM 513 C CE1 . TYR A 1 68 ? -3.365 4.874 8.967 1.00 96.00 68 A 1 ATOM 514 C CE2 . TYR A 1 68 ? -3.508 2.539 8.281 1.00 96.08 68 A 1 ATOM 515 C CZ . TYR A 1 68 ? -3.790 3.556 9.213 1.00 96.20 68 A 1 ATOM 516 O OH . TYR A 1 68 ? -4.479 3.272 10.353 1.00 94.56 68 A 1 ATOM 517 N N . ARG A 1 69 ? -3.866 6.651 4.763 1.00 97.74 69 A 1 ATOM 518 C CA . ARG A 1 69 ? -5.061 7.464 5.041 1.00 97.71 69 A 1 ATOM 519 C C . ARG A 1 69 ? -6.159 7.277 3.994 1.00 97.74 69 A 1 ATOM 520 O O . ARG A 1 69 ? -7.327 7.316 4.365 1.00 97.33 69 A 1 ATOM 521 C CB . ARG A 1 69 ? -4.695 8.947 5.134 1.00 97.37 69 A 1 ATOM 522 C CG . ARG A 1 69 ? -3.993 9.292 6.459 1.00 93.56 69 A 1 ATOM 523 C CD . ARG A 1 69 ? -3.722 10.793 6.588 1.00 91.28 69 A 1 ATOM 524 N NE . ARG A 1 69 ? -2.813 11.292 5.532 1.00 82.13 69 A 1 ATOM 525 C CZ . ARG A 1 69 ? -1.706 12.002 5.693 1.00 76.25 69 A 1 ATOM 526 N NH1 . ARG A 1 69 ? -1.260 12.337 6.872 1.00 68.27 69 A 1 ATOM 527 N NH2 . ARG A 1 69 ? -1.016 12.400 4.661 1.00 66.26 69 A 1 ATOM 528 N N . ALA A 1 70 ? -5.807 7.139 2.722 1.00 97.75 70 A 1 ATOM 529 C CA . ALA A 1 70 ? -6.774 6.866 1.661 1.00 97.75 70 A 1 ATOM 530 C C . ALA A 1 70 ? -7.349 5.446 1.792 1.00 97.68 70 A 1 ATOM 531 O O . ALA A 1 70 ? -8.565 5.287 1.759 1.00 97.23 70 A 1 ATOM 532 C CB . ALA A 1 70 ? -6.104 7.107 0.302 1.00 97.62 70 A 1 ATOM 533 N N . HIS A 1 71 ? -6.504 4.458 2.050 1.00 97.77 71 A 1 ATOM 534 C CA . HIS A 1 71 ? -6.885 3.062 2.259 1.00 97.63 71 A 1 ATOM 535 C C . HIS A 1 71 ? -7.921 2.910 3.373 1.00 97.35 71 A 1 ATOM 536 O O . HIS A 1 71 ? -9.022 2.422 3.141 1.00 96.55 71 A 1 ATOM 537 C CB . HIS A 1 71 ? -5.619 2.251 2.560 1.00 97.60 71 A 1 ATOM 538 C CG . HIS A 1 71 ? -5.882 0.772 2.660 1.00 97.48 71 A 1 ATOM 539 N ND1 . HIS A 1 71 ? -6.398 -0.035 1.669 1.00 91.91 71 A 1 ATOM 540 C CD2 . HIS A 1 71 ? -5.642 -0.021 3.749 1.00 92.98 71 A 1 ATOM 541 C CE1 . HIS A 1 71 ? -6.477 -1.284 2.162 1.00 93.55 71 A 1 ATOM 542 N NE2 . HIS A 1 71 ? -6.016 -1.319 3.417 1.00 94.48 71 A 1 ATOM 543 N N . VAL A 1 72 ? -7.632 3.451 4.565 1.00 97.28 72 A 1 ATOM 544 C CA . VAL A 1 72 ? -8.550 3.338 5.711 1.00 96.76 72 A 1 ATOM 545 C C . VAL A 1 72 ? -9.829 4.173 5.570 1.00 96.37 72 A 1 ATOM 546 O O . VAL A 1 72 ? -10.745 3.991 6.361 1.00 94.65 72 A 1 ATOM 547 C CB . VAL A 1 72 ? -7.861 3.661 7.050 1.00 95.94 72 A 1 ATOM 548 C CG1 . VAL A 1 72 ? -6.658 2.748 7.299 1.00 91.52 72 A 1 ATOM 549 C CG2 . VAL A 1 72 ? -7.444 5.130 7.165 1.00 91.32 72 A 1 ATOM 550 N N . ARG A 1 73 ? -9.918 5.105 4.614 1.00 96.40 73 A 1 ATOM 551 C CA . ARG A 1 73 ? -11.165 5.833 4.312 1.00 95.75 73 A 1 ATOM 552 C C . ARG A 1 73 ? -12.063 5.077 3.337 1.00 94.84 73 A 1 ATOM 553 O O . ARG A 1 73 ? -13.262 5.320 3.353 1.00 91.72 73 A 1 ATOM 554 C CB . ARG A 1 73 ? -10.848 7.213 3.732 1.00 95.13 73 A 1 ATOM 555 C CG . ARG A 1 73 ? -10.386 8.219 4.789 1.00 90.53 73 A 1 ATOM 556 C CD . ARG A 1 73 ? -9.896 9.472 4.064 1.00 88.15 73 A 1 ATOM 557 N NE . ARG A 1 73 ? -9.347 10.474 4.996 1.00 80.70 73 A 1 ATOM 558 C CZ . ARG A 1 73 ? -8.868 11.655 4.650 1.00 74.62 73 A 1 ATOM 559 N NH1 . ARG A 1 73 ? -8.842 12.051 3.404 1.00 69.19 73 A 1 ATOM 560 N NH2 . ARG A 1 73 ? -8.401 12.470 5.557 1.00 64.75 73 A 1 ATOM 561 N N . GLY A 1 74 ? -11.479 4.247 2.485 1.00 91.10 74 A 1 ATOM 562 C CA . GLY A 1 74 ? -12.193 3.422 1.508 1.00 88.17 74 A 1 ATOM 563 C C . GLY A 1 74 ? -12.703 2.091 2.061 1.00 85.52 74 A 1 ATOM 564 O O . GLY A 1 74 ? -13.514 1.451 1.397 1.00 77.92 74 A 1 ATOM 565 N N . GLU A 1 75 ? -12.245 1.725 3.242 1.00 80.29 75 A 1 ATOM 566 C CA . GLU A 1 75 ? -12.690 0.567 4.022 1.00 75.84 75 A 1 ATOM 567 C C . GLU A 1 75 ? -13.836 0.928 4.995 1.00 66.09 75 A 1 ATOM 568 O O . GLU A 1 75 ? -13.889 2.081 5.483 1.00 59.49 75 A 1 ATOM 569 C CB . GLU A 1 75 ? -11.500 -0.009 4.807 1.00 69.10 75 A 1 ATOM 570 C CG . GLU A 1 75 ? -10.369 -0.604 3.938 1.00 62.15 75 A 1 ATOM 571 C CD . GLU A 1 75 ? -10.616 -2.030 3.432 1.00 59.54 75 A 1 ATOM 572 O OE1 . GLU A 1 75 ? -10.201 -2.312 2.282 1.00 56.24 75 A 1 ATOM 573 O OE2 . GLU A 1 75 ? -11.165 -2.856 4.193 1.00 60.67 75 A 1 ATOM 574 O OXT . GLU A 1 75 ? -14.661 0.022 5.268 1.00 68.39 75 A 1 #