# 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_acrvia1_plus # _entry.id acrvia1_plus # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "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 LYS 3 1 n ILE 4 1 n LYS 5 1 n LEU 6 1 n ILE 7 1 n CYS 8 1 n LEU 9 1 n ARG 10 1 n ILE 11 1 n ASN 12 1 n ASN 13 1 n ASP 14 1 n GLU 15 1 n LEU 16 1 n ILE 17 1 n THR 18 1 n THR 19 1 n ASP 20 1 n LYS 21 1 n ASP 22 1 n GLU 23 1 n TRP 24 1 n LEU 25 1 n LYS 26 1 n PHE 27 1 n ILE 28 1 n LYS 29 1 n ARG 30 1 n HIS 31 1 n ARG 32 1 n GLY 33 1 n LYS 34 1 n VAL 35 1 n SER 36 1 n SER 37 1 n ILE 38 1 n GLU 39 1 n GLN 40 1 n PHE 41 1 n ASN 42 1 n TRP 43 1 n LYS 44 1 n ILE 45 1 n PRO 46 1 n GLY 47 1 n ASN 48 1 n LYS 49 1 n LEU 50 1 n GLN 51 1 n LYS 52 1 n ALA 53 1 n LEU 54 1 n GLU 55 1 n TYR 56 1 n SER 57 1 n PHE 58 1 n ASP 59 1 n GLU 60 1 n LEU 61 1 n TYR 62 1 n LYS 63 1 n PHE 64 1 n LYS 65 1 n GLN 66 1 n LYS 67 1 n GLU 68 1 n ASN 69 1 n ARG 70 1 n ARG 71 1 n GLU 72 1 n THR 73 1 n ASP 74 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-07 01:00:55)" _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 88.39 _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 73.38 1 1 A GLU 2 2 78.67 1 2 A LYS 3 2 88.83 1 3 A ILE 4 2 90.45 1 4 A LYS 5 2 91.31 1 5 A LEU 6 2 96.66 1 6 A ILE 7 2 97.41 1 7 A CYS 8 2 97.84 1 8 A LEU 9 2 95.55 1 9 A ARG 10 2 91.62 1 10 A ILE 11 2 96.92 1 11 A ASN 12 2 90.49 1 12 A ASN 13 2 86.15 1 13 A ASP 14 2 92.39 1 14 A GLU 15 2 93.86 1 15 A LEU 16 2 96.97 1 16 A ILE 17 2 95.97 1 17 A THR 18 2 96.93 1 18 A THR 19 2 96.17 1 19 A ASP 20 2 95.22 1 20 A LYS 21 2 86.24 1 21 A ASP 22 2 94.66 1 22 A GLU 23 2 91.08 1 23 A TRP 24 2 93.85 1 24 A LEU 25 2 93.50 1 25 A LYS 26 2 91.01 1 26 A PHE 27 2 96.91 1 27 A ILE 28 2 93.78 1 28 A LYS 29 2 89.59 1 29 A ARG 30 2 81.82 1 30 A HIS 31 2 92.24 1 31 A ARG 32 2 75.88 1 32 A GLY 33 2 91.65 1 33 A LYS 34 2 80.93 1 34 A VAL 35 2 91.79 1 35 A SER 36 2 93.03 1 36 A SER 37 2 94.82 1 37 A ILE 38 2 93.39 1 38 A GLU 39 2 92.03 1 39 A GLN 40 2 94.52 1 40 A PHE 41 2 97.12 1 41 A ASN 42 2 93.46 1 42 A TRP 43 2 87.68 1 43 A LYS 44 2 87.72 1 44 A ILE 45 2 91.47 1 45 A PRO 46 2 94.35 1 46 A GLY 47 2 95.17 1 47 A ASN 48 2 91.61 1 48 A LYS 49 2 88.42 1 49 A LEU 50 2 94.52 1 50 A GLN 51 2 84.57 1 51 A LYS 52 2 85.06 1 52 A ALA 53 2 95.98 1 53 A LEU 54 2 93.91 1 54 A GLU 55 2 88.90 1 55 A TYR 56 2 93.22 1 56 A SER 57 2 95.80 1 57 A PHE 58 2 96.94 1 58 A ASP 59 2 94.46 1 59 A GLU 60 2 93.71 1 60 A LEU 61 2 96.66 1 61 A TYR 62 2 92.81 1 62 A LYS 63 2 88.54 1 63 A PHE 64 2 92.13 1 64 A LYS 65 2 91.15 1 65 A GLN 66 2 87.52 1 66 A LYS 67 2 85.51 1 67 A GLU 68 2 80.50 1 68 A ASN 69 2 77.33 1 69 A ARG 70 2 66.89 1 70 A ARG 71 2 54.21 1 71 A GLU 72 2 54.38 1 72 A THR 73 2 54.07 1 73 A ASP 74 2 50.03 1 74 # _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 LYS . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n CYS . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ARG . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n ASN . 12 A 12 A 13 1 n ASN . 13 A 13 A 14 1 n ASP . 14 A 14 A 15 1 n GLU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n ASP . 20 A 20 A 21 1 n LYS . 21 A 21 A 22 1 n ASP . 22 A 22 A 23 1 n GLU . 23 A 23 A 24 1 n TRP . 24 A 24 A 25 1 n LEU . 25 A 25 A 26 1 n LYS . 26 A 26 A 27 1 n PHE . 27 A 27 A 28 1 n ILE . 28 A 28 A 29 1 n LYS . 29 A 29 A 30 1 n ARG . 30 A 30 A 31 1 n HIS . 31 A 31 A 32 1 n ARG . 32 A 32 A 33 1 n GLY . 33 A 33 A 34 1 n LYS . 34 A 34 A 35 1 n VAL . 35 A 35 A 36 1 n SER . 36 A 36 A 37 1 n SER . 37 A 37 A 38 1 n ILE . 38 A 38 A 39 1 n GLU . 39 A 39 A 40 1 n GLN . 40 A 40 A 41 1 n PHE . 41 A 41 A 42 1 n ASN . 42 A 42 A 43 1 n TRP . 43 A 43 A 44 1 n LYS . 44 A 44 A 45 1 n ILE . 45 A 45 A 46 1 n PRO . 46 A 46 A 47 1 n GLY . 47 A 47 A 48 1 n ASN . 48 A 48 A 49 1 n LYS . 49 A 49 A 50 1 n LEU . 50 A 50 A 51 1 n GLN . 51 A 51 A 52 1 n LYS . 52 A 52 A 53 1 n ALA . 53 A 53 A 54 1 n LEU . 54 A 54 A 55 1 n GLU . 55 A 55 A 56 1 n TYR . 56 A 56 A 57 1 n SER . 57 A 57 A 58 1 n PHE . 58 A 58 A 59 1 n ASP . 59 A 59 A 60 1 n GLU . 60 A 60 A 61 1 n LEU . 61 A 61 A 62 1 n TYR . 62 A 62 A 63 1 n LYS . 63 A 63 A 64 1 n PHE . 64 A 64 A 65 1 n LYS . 65 A 65 A 66 1 n GLN . 66 A 66 A 67 1 n LYS . 67 A 67 A 68 1 n GLU . 68 A 68 A 69 1 n ASN . 69 A 69 A 70 1 n ARG . 70 A 70 A 71 1 n ARG . 71 A 71 A 72 1 n GLU . 72 A 72 A 73 1 n THR . 73 A 73 A 74 1 n ASP . 74 A 74 # _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 ? -11.667 2.325 17.400 1.00 78.48 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.915 1.239 16.743 1.00 83.23 1 A 1 ATOM 3 C C . MET A 1 1 ? -9.673 1.837 16.120 1.00 85.48 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.796 2.823 15.393 1.00 81.40 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.788 0.551 15.696 1.00 75.06 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.320 -0.866 15.377 1.00 66.31 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.487 -1.741 14.310 1.00 62.18 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.222 -3.424 14.920 1.00 54.90 1 A 1 ATOM 9 N N . GLU A 1 2 ? -8.494 1.319 16.442 1.00 89.42 2 A 1 ATOM 10 C CA . GLU A 1 2 ? -7.230 1.840 15.926 1.00 91.50 2 A 1 ATOM 11 C C . GLU A 1 2 ? -7.139 1.600 14.416 1.00 92.81 2 A 1 ATOM 12 O O . GLU A 1 2 ? -7.552 0.548 13.915 1.00 90.88 2 A 1 ATOM 13 C CB . GLU A 1 2 ? -6.078 1.202 16.705 1.00 86.30 2 A 1 ATOM 14 C CG . GLU A 1 2 ? -4.741 1.898 16.427 1.00 71.40 2 A 1 ATOM 15 C CD . GLU A 1 2 ? -3.616 1.390 17.342 1.00 65.84 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? -2.547 2.028 17.319 1.00 59.50 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? -3.848 0.375 18.042 1.00 60.36 2 A 1 ATOM 18 N N . LYS A 1 3 ? -6.671 2.609 13.658 1.00 94.78 3 A 1 ATOM 19 C CA . LYS A 1 3 ? -6.467 2.516 12.213 1.00 95.51 3 A 1 ATOM 20 C C . LYS A 1 3 ? -4.987 2.292 11.927 1.00 96.04 3 A 1 ATOM 21 O O . LYS A 1 3 ? -4.147 3.060 12.384 1.00 94.79 3 A 1 ATOM 22 C CB . LYS A 1 3 ? -6.996 3.756 11.476 1.00 93.73 3 A 1 ATOM 23 C CG . LYS A 1 3 ? -8.533 3.857 11.472 1.00 89.48 3 A 1 ATOM 24 C CD . LYS A 1 3 ? -9.004 4.941 10.489 1.00 85.43 3 A 1 ATOM 25 C CE . LYS A 1 3 ? -10.534 4.979 10.404 1.00 78.51 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? -11.034 5.787 9.255 1.00 71.17 3 A 1 ATOM 27 N N . ILE A 1 4 ? -4.692 1.292 11.097 1.00 96.35 4 A 1 ATOM 28 C CA . ILE A 1 4 ? -3.342 0.957 10.652 1.00 96.34 4 A 1 ATOM 29 C C . ILE A 1 4 ? -3.142 1.511 9.242 1.00 96.72 4 A 1 ATOM 30 O O . ILE A 1 4 ? -4.034 1.451 8.395 1.00 95.95 4 A 1 ATOM 31 C CB . ILE A 1 4 ? -3.103 -0.564 10.762 1.00 95.02 4 A 1 ATOM 32 C CG1 . ILE A 1 4 ? -3.309 -1.017 12.233 1.00 84.07 4 A 1 ATOM 33 C CG2 . ILE A 1 4 ? -1.691 -0.921 10.268 1.00 82.21 4 A 1 ATOM 34 C CD1 . ILE A 1 4 ? -3.132 -2.517 12.466 1.00 76.92 4 A 1 ATOM 35 N N . LYS A 1 5 ? -1.954 2.081 8.981 1.00 97.07 5 A 1 ATOM 36 C CA . LYS A 1 5 ? -1.559 2.551 7.651 1.00 97.31 5 A 1 ATOM 37 C C . LYS A 1 5 ? -1.009 1.374 6.845 1.00 97.53 5 A 1 ATOM 38 O O . LYS A 1 5 ? 0.110 0.938 7.086 1.00 97.03 5 A 1 ATOM 39 C CB . LYS A 1 5 ? -0.546 3.696 7.789 1.00 96.58 5 A 1 ATOM 40 C CG . LYS A 1 5 ? -0.158 4.271 6.421 1.00 92.94 5 A 1 ATOM 41 C CD . LYS A 1 5 ? 0.951 5.318 6.571 1.00 89.77 5 A 1 ATOM 42 C CE . LYS A 1 5 ? 1.386 5.768 5.179 1.00 79.77 5 A 1 ATOM 43 N NZ . LYS A 1 5 ? 2.596 6.623 5.197 1.00 73.75 5 A 1 ATOM 44 N N . LEU A 1 6 ? -1.767 0.934 5.848 1.00 97.39 6 A 1 ATOM 45 C CA . LEU A 1 6 ? -1.329 -0.021 4.842 1.00 97.64 6 A 1 ATOM 46 C C . LEU A 1 6 ? -0.667 0.732 3.680 1.00 97.84 6 A 1 ATOM 47 O O . LEU A 1 6 ? -1.224 1.705 3.166 1.00 97.44 6 A 1 ATOM 48 C CB . LEU A 1 6 ? -2.552 -0.835 4.396 1.00 97.22 6 A 1 ATOM 49 C CG . LEU A 1 6 ? -2.213 -2.071 3.552 1.00 96.04 6 A 1 ATOM 50 C CD1 . LEU A 1 6 ? -1.509 -3.140 4.385 1.00 94.85 6 A 1 ATOM 51 C CD2 . LEU A 1 6 ? -3.514 -2.665 3.014 1.00 94.85 6 A 1 ATOM 52 N N . ILE A 1 7 ? 0.532 0.301 3.287 1.00 98.07 7 A 1 ATOM 53 C CA . ILE A 1 7 ? 1.273 0.809 2.131 1.00 98.14 7 A 1 ATOM 54 C C . ILE A 1 7 ? 1.075 -0.192 0.995 1.00 98.19 7 A 1 ATOM 55 O O . ILE A 1 7 ? 1.419 -1.361 1.137 1.00 97.93 7 A 1 ATOM 56 C CB . ILE A 1 7 ? 2.770 1.000 2.464 1.00 97.98 7 A 1 ATOM 57 C CG1 . ILE A 1 7 ? 2.976 1.872 3.729 1.00 97.05 7 A 1 ATOM 58 C CG2 . ILE A 1 7 ? 3.492 1.611 1.251 1.00 96.78 7 A 1 ATOM 59 C CD1 . ILE A 1 7 ? 4.433 1.958 4.205 1.00 95.17 7 A 1 ATOM 60 N N . CYS A 1 8 ? 0.526 0.274 -0.127 1.00 98.34 8 A 1 ATOM 61 C CA . CYS A 1 8 ? 0.341 -0.510 -1.337 1.00 98.29 8 A 1 ATOM 62 C C . CYS A 1 8 ? 1.231 0.097 -2.421 1.00 98.24 8 A 1 ATOM 63 O O . CYS A 1 8 ? 1.063 1.268 -2.757 1.00 97.66 8 A 1 ATOM 64 C CB . CYS A 1 8 ? -1.135 -0.486 -1.740 1.00 97.98 8 A 1 ATOM 65 S SG . CYS A 1 8 ? -2.198 -1.052 -0.381 1.00 96.53 8 A 1 ATOM 66 N N . LEU A 1 9 ? 2.194 -0.680 -2.923 1.00 97.94 9 A 1 ATOM 67 C CA . LEU A 1 9 ? 3.194 -0.242 -3.889 1.00 97.91 9 A 1 ATOM 68 C C . LEU A 1 9 ? 3.284 -1.258 -5.023 1.00 98.08 9 A 1 ATOM 69 O O . LEU A 1 9 ? 3.401 -2.451 -4.766 1.00 97.62 9 A 1 ATOM 70 C CB . LEU A 1 9 ? 4.531 -0.083 -3.139 1.00 97.01 9 A 1 ATOM 71 C CG . LEU A 1 9 ? 5.757 0.213 -4.026 1.00 94.32 9 A 1 ATOM 72 C CD1 . LEU A 1 9 ? 5.657 1.564 -4.721 1.00 90.52 9 A 1 ATOM 73 C CD2 . LEU A 1 9 ? 7.016 0.243 -3.159 1.00 91.02 9 A 1 ATOM 74 N N . ARG A 1 10 ? 3.287 -0.778 -6.267 1.00 97.84 10 A 1 ATOM 75 C CA . ARG A 1 10 ? 3.582 -1.575 -7.458 1.00 97.86 10 A 1 ATOM 76 C C . ARG A 1 10 ? 4.731 -0.936 -8.213 1.00 97.73 10 A 1 ATOM 77 O O . ARG A 1 10 ? 4.688 0.254 -8.511 1.00 97.23 10 A 1 ATOM 78 C CB . ARG A 1 10 ? 2.306 -1.721 -8.299 1.00 97.31 10 A 1 ATOM 79 C CG . ARG A 1 10 ? 2.533 -2.539 -9.575 1.00 95.77 10 A 1 ATOM 80 C CD . ARG A 1 10 ? 1.205 -3.000 -10.192 1.00 93.82 10 A 1 ATOM 81 N NE . ARG A 1 10 ? 0.357 -1.894 -10.681 1.00 87.59 10 A 1 ATOM 82 C CZ . ARG A 1 10 ? -0.930 -1.996 -10.989 1.00 85.10 10 A 1 ATOM 83 N NH1 . ARG A 1 10 ? -1.582 -3.112 -10.856 1.00 80.11 10 A 1 ATOM 84 N NH2 . ARG A 1 10 ? -1.592 -0.983 -11.447 1.00 77.47 10 A 1 ATOM 85 N N . ILE A 1 11 ? 5.769 -1.716 -8.506 1.00 97.74 11 A 1 ATOM 86 C CA . ILE A 1 11 ? 6.893 -1.311 -9.355 1.00 97.59 11 A 1 ATOM 87 C C . ILE A 1 11 ? 6.967 -2.297 -10.515 1.00 97.15 11 A 1 ATOM 88 O O . ILE A 1 11 ? 7.185 -3.486 -10.299 1.00 96.13 11 A 1 ATOM 89 C CB . ILE A 1 11 ? 8.221 -1.248 -8.577 1.00 97.39 11 A 1 ATOM 90 C CG1 . ILE A 1 11 ? 8.122 -0.243 -7.408 1.00 96.74 11 A 1 ATOM 91 C CG2 . ILE A 1 11 ? 9.361 -0.863 -9.538 1.00 96.54 11 A 1 ATOM 92 C CD1 . ILE A 1 11 ? 9.406 -0.094 -6.580 1.00 96.04 11 A 1 ATOM 93 N N . ASN A 1 12 ? 6.806 -1.797 -11.737 1.00 96.39 12 A 1 ATOM 94 C CA . ASN A 1 12 ? 6.646 -2.626 -12.931 1.00 94.72 12 A 1 ATOM 95 C C . ASN A 1 12 ? 5.475 -3.612 -12.732 1.00 93.19 12 A 1 ATOM 96 O O . ASN A 1 12 ? 4.329 -3.168 -12.614 1.00 87.54 12 A 1 ATOM 97 C CB . ASN A 1 12 ? 7.999 -3.261 -13.316 1.00 92.79 12 A 1 ATOM 98 C CG . ASN A 1 12 ? 9.139 -2.259 -13.423 1.00 90.12 12 A 1 ATOM 99 O OD1 . ASN A 1 12 ? 8.964 -1.072 -13.644 1.00 84.34 12 A 1 ATOM 100 N ND2 . ASN A 1 12 ? 10.361 -2.720 -13.264 1.00 84.85 12 A 1 ATOM 101 N N . ASN A 1 13 ? 5.760 -4.913 -12.664 1.00 94.18 13 A 1 ATOM 102 C CA . ASN A 1 13 ? 4.768 -5.969 -12.436 1.00 93.64 13 A 1 ATOM 103 C C . ASN A 1 13 ? 4.825 -6.547 -11.011 1.00 94.58 13 A 1 ATOM 104 O O . ASN A 1 13 ? 4.062 -7.454 -10.699 1.00 92.33 13 A 1 ATOM 105 C CB . ASN A 1 13 ? 4.970 -7.068 -13.487 1.00 90.68 13 A 1 ATOM 106 C CG . ASN A 1 13 ? 4.749 -6.586 -14.914 1.00 80.82 13 A 1 ATOM 107 O OD1 . ASN A 1 13 ? 4.112 -5.587 -15.197 1.00 70.75 13 A 1 ATOM 108 N ND2 . ASN A 1 13 ? 5.286 -7.301 -15.876 1.00 72.23 13 A 1 ATOM 109 N N . ASP A 1 14 ? 5.732 -6.047 -10.163 1.00 96.58 14 A 1 ATOM 110 C CA . ASP A 1 14 ? 5.897 -6.546 -8.802 1.00 96.78 14 A 1 ATOM 111 C C . ASP A 1 14 ? 5.108 -5.683 -7.817 1.00 97.28 14 A 1 ATOM 112 O O . ASP A 1 14 ? 5.203 -4.453 -7.818 1.00 96.74 14 A 1 ATOM 113 C CB . ASP A 1 14 ? 7.377 -6.597 -8.410 1.00 95.64 14 A 1 ATOM 114 C CG . ASP A 1 14 ? 8.195 -7.624 -9.192 1.00 88.01 14 A 1 ATOM 115 O OD1 . ASP A 1 14 ? 7.648 -8.686 -9.537 1.00 84.29 14 A 1 ATOM 116 O OD2 . ASP A 1 14 ? 9.402 -7.357 -9.399 1.00 83.83 14 A 1 ATOM 117 N N . GLU A 1 15 ? 4.361 -6.341 -6.937 1.00 97.39 15 A 1 ATOM 118 C CA . GLU A 1 15 ? 3.514 -5.703 -5.940 1.00 97.30 15 A 1 ATOM 119 C C . GLU A 1 15 ? 4.046 -5.920 -4.524 1.00 97.40 15 A 1 ATOM 120 O O . GLU A 1 15 ? 4.625 -6.955 -4.190 1.00 96.74 15 A 1 ATOM 121 C CB . GLU A 1 15 ? 2.059 -6.181 -6.068 1.00 96.17 15 A 1 ATOM 122 C CG . GLU A 1 15 ? 1.477 -5.900 -7.463 1.00 91.91 15 A 1 ATOM 123 C CD . GLU A 1 15 ? -0.030 -6.159 -7.574 1.00 92.04 15 A 1 ATOM 124 O OE1 . GLU A 1 15 ? -0.580 -5.852 -8.659 1.00 87.22 15 A 1 ATOM 125 O OE2 . GLU A 1 15 ? -0.659 -6.588 -6.580 1.00 88.56 15 A 1 ATOM 126 N N . LEU A 1 16 ? 3.851 -4.918 -3.669 1.00 97.51 16 A 1 ATOM 127 C CA . LEU A 1 16 ? 4.102 -5.008 -2.241 1.00 97.61 16 A 1 ATOM 128 C C . LEU A 1 16 ? 2.933 -4.395 -1.476 1.00 97.60 16 A 1 ATOM 129 O O . LEU A 1 16 ? 2.634 -3.209 -1.620 1.00 97.29 16 A 1 ATOM 130 C CB . LEU A 1 16 ? 5.424 -4.297 -1.907 1.00 97.48 16 A 1 ATOM 131 C CG . LEU A 1 16 ? 5.777 -4.341 -0.407 1.00 96.92 16 A 1 ATOM 132 C CD1 . LEU A 1 16 ? 6.200 -5.742 0.036 1.00 95.81 16 A 1 ATOM 133 C CD2 . LEU A 1 16 ? 6.919 -3.374 -0.109 1.00 95.50 16 A 1 ATOM 134 N N . ILE A 1 17 ? 2.345 -5.197 -0.597 1.00 97.76 17 A 1 ATOM 135 C CA . ILE A 1 17 ? 1.328 -4.763 0.359 1.00 97.59 17 A 1 ATOM 136 C C . ILE A 1 17 ? 1.909 -4.956 1.760 1.00 97.45 17 A 1 ATOM 137 O O . ILE A 1 17 ? 2.142 -6.085 2.182 1.00 96.73 17 A 1 ATOM 138 C CB . ILE A 1 17 ? 0.018 -5.548 0.159 1.00 97.18 17 A 1 ATOM 139 C CG1 . ILE A 1 17 ? -0.488 -5.557 -1.308 1.00 95.63 17 A 1 ATOM 140 C CG2 . ILE A 1 17 ? -1.058 -5.002 1.098 1.00 95.85 17 A 1 ATOM 141 C CD1 . ILE A 1 17 ? -0.730 -4.187 -1.939 1.00 89.58 17 A 1 ATOM 142 N N . THR A 1 18 ? 2.188 -3.861 2.476 1.00 97.45 18 A 1 ATOM 143 C CA . THR A 1 18 ? 2.853 -3.946 3.780 1.00 97.57 18 A 1 ATOM 144 C C . THR A 1 18 ? 2.432 -2.832 4.734 1.00 97.61 18 A 1 ATOM 145 O O . THR A 1 18 ? 1.987 -1.758 4.326 1.00 97.40 18 A 1 ATOM 146 C CB . THR A 1 18 ? 4.384 -3.978 3.610 1.00 97.28 18 A 1 ATOM 147 O OG1 . THR A 1 18 ? 4.983 -4.242 4.854 1.00 95.73 18 A 1 ATOM 148 C CG2 . THR A 1 18 ? 4.970 -2.661 3.076 1.00 95.44 18 A 1 ATOM 149 N N . THR A 1 19 ? 2.600 -3.076 6.026 1.00 97.54 19 A 1 ATOM 150 C CA . THR A 1 19 ? 2.565 -2.044 7.077 1.00 97.36 19 A 1 ATOM 151 C C . THR A 1 19 ? 3.964 -1.665 7.553 1.00 97.45 19 A 1 ATOM 152 O O . THR A 1 19 ? 4.118 -0.676 8.275 1.00 96.63 19 A 1 ATOM 153 C CB . THR A 1 19 ? 1.719 -2.515 8.266 1.00 96.68 19 A 1 ATOM 154 O OG1 . THR A 1 19 ? 2.200 -3.741 8.771 1.00 94.06 19 A 1 ATOM 155 C CG2 . THR A 1 19 ? 0.263 -2.730 7.858 1.00 93.47 19 A 1 ATOM 156 N N . ASP A 1 20 ? 4.988 -2.423 7.148 1.00 97.38 20 A 1 ATOM 157 C CA . ASP A 1 20 ? 6.374 -2.240 7.565 1.00 97.61 20 A 1 ATOM 158 C C . ASP A 1 20 ? 7.112 -1.288 6.613 1.00 97.80 20 A 1 ATOM 159 O O . ASP A 1 20 ? 7.254 -1.516 5.409 1.00 97.50 20 A 1 ATOM 160 C CB . ASP A 1 20 ? 7.061 -3.611 7.694 1.00 97.18 20 A 1 ATOM 161 C CG . ASP A 1 20 ? 8.473 -3.513 8.291 1.00 94.18 20 A 1 ATOM 162 O OD1 . ASP A 1 20 ? 8.969 -2.370 8.448 1.00 90.56 20 A 1 ATOM 163 O OD2 . ASP A 1 20 ? 9.067 -4.573 8.553 1.00 89.53 20 A 1 ATOM 164 N N . LYS A 1 21 ? 7.608 -0.168 7.177 1.00 97.70 21 A 1 ATOM 165 C CA . LYS A 1 21 ? 8.378 0.833 6.433 1.00 97.66 21 A 1 ATOM 166 C C . LYS A 1 21 ? 9.733 0.293 5.968 1.00 97.95 21 A 1 ATOM 167 O O . LYS A 1 21 ? 10.214 0.698 4.909 1.00 97.55 21 A 1 ATOM 168 C CB . LYS A 1 21 ? 8.530 2.079 7.312 1.00 96.71 21 A 1 ATOM 169 C CG . LYS A 1 21 ? 9.151 3.244 6.540 1.00 84.25 21 A 1 ATOM 170 C CD . LYS A 1 21 ? 9.298 4.466 7.444 1.00 78.46 21 A 1 ATOM 171 C CE . LYS A 1 21 ? 9.983 5.592 6.675 1.00 66.60 21 A 1 ATOM 172 N NZ . LYS A 1 21 ? 10.297 6.743 7.555 1.00 59.24 21 A 1 ATOM 173 N N . ASP A 1 22 ? 10.351 -0.607 6.727 1.00 98.36 22 A 1 ATOM 174 C CA . ASP A 1 22 ? 11.652 -1.178 6.363 1.00 98.46 22 A 1 ATOM 175 C C . ASP A 1 22 ? 11.512 -2.164 5.205 1.00 98.48 22 A 1 ATOM 176 O O . ASP A 1 22 ? 12.338 -2.165 4.287 1.00 98.14 22 A 1 ATOM 177 C CB . ASP A 1 22 ? 12.301 -1.846 7.584 1.00 98.19 22 A 1 ATOM 178 C CG . ASP A 1 22 ? 12.806 -0.838 8.623 1.00 91.80 22 A 1 ATOM 179 O OD1 . ASP A 1 22 ? 13.022 0.340 8.242 1.00 86.86 22 A 1 ATOM 180 O OD2 . ASP A 1 22 ? 13.050 -1.269 9.768 1.00 86.98 22 A 1 ATOM 181 N N . GLU A 1 23 ? 10.428 -2.930 5.169 1.00 98.49 23 A 1 ATOM 182 C CA . GLU A 1 23 ? 10.086 -3.780 4.029 1.00 98.29 23 A 1 ATOM 183 C C . GLU A 1 23 ? 9.849 -2.943 2.763 1.00 98.31 23 A 1 ATOM 184 O O . GLU A 1 23 ? 10.435 -3.225 1.713 1.00 97.80 23 A 1 ATOM 185 C CB . GLU A 1 23 ? 8.857 -4.620 4.377 1.00 97.65 23 A 1 ATOM 186 C CG . GLU A 1 23 ? 8.627 -5.694 3.309 1.00 87.65 23 A 1 ATOM 187 C CD . GLU A 1 23 ? 7.389 -6.550 3.577 1.00 84.40 23 A 1 ATOM 188 O OE1 . GLU A 1 23 ? 7.321 -7.639 2.964 1.00 77.98 23 A 1 ATOM 189 O OE2 . GLU A 1 23 ? 6.507 -6.100 4.336 1.00 79.15 23 A 1 ATOM 190 N N . TRP A 1 24 ? 9.104 -1.840 2.882 1.00 98.10 24 A 1 ATOM 191 C CA . TRP A 1 24 ? 8.885 -0.877 1.801 1.00 97.95 24 A 1 ATOM 192 C C . TRP A 1 24 ? 10.204 -0.308 1.248 1.00 97.92 24 A 1 ATOM 193 O O . TRP A 1 24 ? 10.438 -0.304 0.035 1.00 97.58 24 A 1 ATOM 194 C CB . TRP A 1 24 ? 7.971 0.235 2.326 1.00 97.44 24 A 1 ATOM 195 C CG . TRP A 1 24 ? 7.778 1.389 1.393 1.00 96.33 24 A 1 ATOM 196 C CD1 . TRP A 1 24 ? 6.938 1.399 0.339 1.00 93.46 24 A 1 ATOM 197 C CD2 . TRP A 1 24 ? 8.425 2.702 1.421 1.00 94.80 24 A 1 ATOM 198 N NE1 . TRP A 1 24 ? 7.008 2.634 -0.297 1.00 91.46 24 A 1 ATOM 199 C CE2 . TRP A 1 24 ? 7.909 3.462 0.334 1.00 93.40 24 A 1 ATOM 200 C CE3 . TRP A 1 24 ? 9.380 3.318 2.256 1.00 89.90 24 A 1 ATOM 201 C CZ2 . TRP A 1 24 ? 8.320 4.788 0.080 1.00 89.86 24 A 1 ATOM 202 C CZ3 . TRP A 1 24 ? 9.798 4.635 2.003 1.00 87.67 24 A 1 ATOM 203 C CH2 . TRP A 1 24 ? 9.273 5.365 0.925 1.00 87.98 24 A 1 ATOM 204 N N . LEU A 1 25 ? 11.131 0.104 2.120 1.00 97.78 25 A 1 ATOM 205 C CA . LEU A 1 25 ? 12.448 0.611 1.715 1.00 97.78 25 A 1 ATOM 206 C C . LEU A 1 25 ? 13.299 -0.465 1.023 1.00 97.69 25 A 1 ATOM 207 O O . LEU A 1 25 ? 13.961 -0.184 0.019 1.00 97.45 25 A 1 ATOM 208 C CB . LEU A 1 25 ? 13.193 1.150 2.949 1.00 97.52 25 A 1 ATOM 209 C CG . LEU A 1 25 ? 12.689 2.507 3.474 1.00 87.71 25 A 1 ATOM 210 C CD1 . LEU A 1 25 ? 13.354 2.810 4.816 1.00 85.52 25 A 1 ATOM 211 C CD2 . LEU A 1 25 ? 13.024 3.650 2.514 1.00 86.53 25 A 1 ATOM 212 N N . LYS A 1 26 ? 13.293 -1.703 1.529 1.00 98.09 26 A 1 ATOM 213 C CA . LYS A 1 26 ? 13.998 -2.844 0.918 1.00 98.02 26 A 1 ATOM 214 C C . LYS A 1 26 ? 13.438 -3.162 -0.469 1.00 97.82 26 A 1 ATOM 215 O O . LYS A 1 26 ? 14.219 -3.425 -1.384 1.00 97.39 26 A 1 ATOM 216 C CB . LYS A 1 26 ? 13.891 -4.075 1.825 1.00 97.97 26 A 1 ATOM 217 C CG . LYS A 1 26 ? 14.794 -3.997 3.073 1.00 91.23 26 A 1 ATOM 218 C CD . LYS A 1 26 ? 14.457 -5.146 4.034 1.00 88.01 26 A 1 ATOM 219 C CE . LYS A 1 26 ? 15.238 -5.042 5.347 1.00 78.53 26 A 1 ATOM 220 N NZ . LYS A 1 26 ? 14.759 -6.023 6.359 1.00 72.03 26 A 1 ATOM 221 N N . PHE A 1 27 ? 12.118 -3.108 -0.644 1.00 97.79 27 A 1 ATOM 222 C CA . PHE A 1 27 ? 11.467 -3.334 -1.931 1.00 97.60 27 A 1 ATOM 223 C C . PHE A 1 27 ? 11.894 -2.289 -2.966 1.00 97.33 27 A 1 ATOM 224 O O . PHE A 1 27 ? 12.425 -2.657 -4.012 1.00 96.81 27 A 1 ATOM 225 C CB . PHE A 1 27 ? 9.956 -3.358 -1.726 1.00 97.42 27 A 1 ATOM 226 C CG . PHE A 1 27 ? 9.196 -3.760 -2.971 1.00 97.50 27 A 1 ATOM 227 C CD1 . PHE A 1 27 ? 8.645 -2.784 -3.815 1.00 96.67 27 A 1 ATOM 228 C CD2 . PHE A 1 27 ? 9.017 -5.122 -3.272 1.00 96.72 27 A 1 ATOM 229 C CE1 . PHE A 1 27 ? 7.902 -3.162 -4.942 1.00 95.98 27 A 1 ATOM 230 C CE2 . PHE A 1 27 ? 8.274 -5.502 -4.396 1.00 95.93 27 A 1 ATOM 231 C CZ . PHE A 1 27 ? 7.709 -4.522 -5.228 1.00 96.30 27 A 1 ATOM 232 N N . ILE A 1 28 ? 11.828 -0.993 -2.646 1.00 97.07 28 A 1 ATOM 233 C CA . ILE A 1 28 ? 12.293 0.082 -3.541 1.00 96.48 28 A 1 ATOM 234 C C . ILE A 1 28 ? 13.773 -0.090 -3.911 1.00 96.44 28 A 1 ATOM 235 O O . ILE A 1 28 ? 14.143 0.043 -5.077 1.00 95.83 28 A 1 ATOM 236 C CB . ILE A 1 28 ? 12.033 1.467 -2.910 1.00 95.70 28 A 1 ATOM 237 C CG1 . ILE A 1 28 ? 10.509 1.728 -2.875 1.00 93.00 28 A 1 ATOM 238 C CG2 . ILE A 1 28 ? 12.755 2.591 -3.686 1.00 92.10 28 A 1 ATOM 239 C CD1 . ILE A 1 28 ? 10.118 3.040 -2.212 1.00 83.65 28 A 1 ATOM 240 N N . LYS A 1 29 ? 14.641 -0.415 -2.945 1.00 96.77 29 A 1 ATOM 241 C CA . LYS A 1 29 ? 16.079 -0.624 -3.192 1.00 96.72 29 A 1 ATOM 242 C C . LYS A 1 29 ? 16.344 -1.784 -4.153 1.00 96.37 29 A 1 ATOM 243 O O . LYS A 1 29 ? 17.238 -1.657 -4.985 1.00 95.54 29 A 1 ATOM 244 C CB . LYS A 1 29 ? 16.819 -0.847 -1.867 1.00 96.58 29 A 1 ATOM 245 C CG . LYS A 1 29 ? 17.008 0.457 -1.071 1.00 89.84 29 A 1 ATOM 246 C CD . LYS A 1 29 ? 17.625 0.150 0.303 1.00 86.66 29 A 1 ATOM 247 C CE . LYS A 1 29 ? 17.772 1.427 1.140 1.00 77.69 29 A 1 ATOM 248 N NZ . LYS A 1 29 ? 18.335 1.149 2.488 1.00 70.13 29 A 1 ATOM 249 N N . ARG A 1 30 ? 15.567 -2.878 -4.084 1.00 96.42 30 A 1 ATOM 250 C CA . ARG A 1 30 ? 15.696 -4.026 -5.002 1.00 95.75 30 A 1 ATOM 251 C C . ARG A 1 30 ? 15.385 -3.658 -6.456 1.00 95.72 30 A 1 ATOM 252 O O . ARG A 1 30 ? 16.025 -4.190 -7.357 1.00 94.34 30 A 1 ATOM 253 C CB . ARG A 1 30 ? 14.792 -5.182 -4.543 1.00 94.28 30 A 1 ATOM 254 C CG . ARG A 1 30 ? 15.383 -5.937 -3.342 1.00 83.05 30 A 1 ATOM 255 C CD . ARG A 1 30 ? 14.521 -7.145 -2.934 1.00 81.20 30 A 1 ATOM 256 N NE . ARG A 1 30 ? 13.219 -6.756 -2.371 1.00 72.44 30 A 1 ATOM 257 C CZ . ARG A 1 30 ? 12.204 -7.577 -2.107 1.00 67.17 30 A 1 ATOM 258 N NH1 . ARG A 1 30 ? 12.273 -8.856 -2.349 1.00 62.27 30 A 1 ATOM 259 N NH2 . ARG A 1 30 ? 11.095 -7.129 -1.586 1.00 57.42 30 A 1 ATOM 260 N N . HIS A 1 31 ? 14.456 -2.723 -6.687 1.00 96.91 31 A 1 ATOM 261 C CA . HIS A 1 31 ? 14.075 -2.268 -8.027 1.00 96.40 31 A 1 ATOM 262 C C . HIS A 1 31 ? 14.893 -1.075 -8.541 1.00 95.64 31 A 1 ATOM 263 O O . HIS A 1 31 ? 14.696 -0.618 -9.669 1.00 93.34 31 A 1 ATOM 264 C CB . HIS A 1 31 ? 12.575 -1.977 -8.044 1.00 96.07 31 A 1 ATOM 265 C CG . HIS A 1 31 ? 11.766 -3.232 -7.901 1.00 95.79 31 A 1 ATOM 266 N ND1 . HIS A 1 31 ? 11.560 -4.183 -8.877 1.00 84.30 31 A 1 ATOM 267 C CD2 . HIS A 1 31 ? 11.171 -3.687 -6.752 1.00 85.64 31 A 1 ATOM 268 C CE1 . HIS A 1 31 ? 10.853 -5.183 -8.328 1.00 88.13 31 A 1 ATOM 269 N NE2 . HIS A 1 31 ? 10.604 -4.918 -7.036 1.00 90.19 31 A 1 ATOM 270 N N . ARG A 1 32 ? 15.849 -0.559 -7.757 1.00 94.82 32 A 1 ATOM 271 C CA . ARG A 1 32 ? 16.661 0.602 -8.136 1.00 93.87 32 A 1 ATOM 272 C C . ARG A 1 32 ? 17.380 0.352 -9.464 1.00 93.15 32 A 1 ATOM 273 O O . ARG A 1 32 ? 18.064 -0.647 -9.632 1.00 86.55 32 A 1 ATOM 274 C CB . ARG A 1 32 ? 17.639 0.947 -7.000 1.00 90.86 32 A 1 ATOM 275 C CG . ARG A 1 32 ? 18.330 2.298 -7.237 1.00 75.89 32 A 1 ATOM 276 C CD . ARG A 1 32 ? 19.259 2.643 -6.070 1.00 73.78 32 A 1 ATOM 277 N NE . ARG A 1 32 ? 19.908 3.952 -6.278 1.00 64.41 32 A 1 ATOM 278 C CZ . ARG A 1 32 ? 20.791 4.525 -5.471 1.00 58.26 32 A 1 ATOM 279 N NH1 . ARG A 1 32 ? 21.183 3.952 -4.368 1.00 53.82 32 A 1 ATOM 280 N NH2 . ARG A 1 32 ? 21.295 5.690 -5.774 1.00 49.23 32 A 1 ATOM 281 N N . GLY A 1 33 ? 17.226 1.302 -10.413 1.00 92.29 33 A 1 ATOM 282 C CA . GLY A 1 33 ? 17.824 1.227 -11.755 1.00 92.39 33 A 1 ATOM 283 C C . GLY A 1 33 ? 17.018 0.429 -12.790 1.00 93.05 33 A 1 ATOM 284 O O . GLY A 1 33 ? 17.420 0.393 -13.949 1.00 88.86 33 A 1 ATOM 285 N N . LYS A 1 34 ? 15.892 -0.190 -12.403 1.00 93.08 34 A 1 ATOM 286 C CA . LYS A 1 34 ? 15.022 -0.980 -13.299 1.00 92.88 34 A 1 ATOM 287 C C . LYS A 1 34 ? 13.551 -0.560 -13.213 1.00 93.49 34 A 1 ATOM 288 O O . LYS A 1 34 ? 12.664 -1.334 -13.550 1.00 89.21 34 A 1 ATOM 289 C CB . LYS A 1 34 ? 15.195 -2.482 -13.019 1.00 88.84 34 A 1 ATOM 290 C CG . LYS A 1 34 ? 16.618 -2.993 -13.286 1.00 78.02 34 A 1 ATOM 291 C CD . LYS A 1 34 ? 16.654 -4.508 -13.084 1.00 73.39 34 A 1 ATOM 292 C CE . LYS A 1 34 ? 18.051 -5.064 -13.340 1.00 63.35 34 A 1 ATOM 293 N NZ . LYS A 1 34 ? 18.089 -6.534 -13.143 1.00 56.12 34 A 1 ATOM 294 N N . VAL A 1 35 ? 13.286 0.655 -12.750 1.00 93.60 35 A 1 ATOM 295 C CA . VAL A 1 35 ? 11.923 1.165 -12.575 1.00 93.60 35 A 1 ATOM 296 C C . VAL A 1 35 ? 11.444 1.774 -13.887 1.00 93.91 35 A 1 ATOM 297 O O . VAL A 1 35 ? 11.945 2.823 -14.293 1.00 91.90 35 A 1 ATOM 298 C CB . VAL A 1 35 ? 11.855 2.183 -11.424 1.00 91.98 35 A 1 ATOM 299 C CG1 . VAL A 1 35 ? 10.428 2.680 -11.208 1.00 88.27 35 A 1 ATOM 300 C CG2 . VAL A 1 35 ? 12.356 1.570 -10.110 1.00 89.28 35 A 1 ATOM 301 N N . SER A 1 36 ? 10.469 1.128 -14.548 1.00 95.37 36 A 1 ATOM 302 C CA . SER A 1 36 ? 9.757 1.679 -15.708 1.00 95.42 36 A 1 ATOM 303 C C . SER A 1 36 ? 8.426 2.328 -15.317 1.00 95.84 36 A 1 ATOM 304 O O . SER A 1 36 ? 8.018 3.316 -15.922 1.00 93.57 36 A 1 ATOM 305 C CB . SER A 1 36 ? 9.515 0.589 -16.751 1.00 94.03 36 A 1 ATOM 306 O OG . SER A 1 36 ? 8.769 -0.478 -16.201 1.00 83.93 36 A 1 ATOM 307 N N . SER A 1 37 ? 7.770 1.801 -14.289 1.00 96.67 37 A 1 ATOM 308 C CA . SER A 1 37 ? 6.547 2.359 -13.713 1.00 96.72 37 A 1 ATOM 309 C C . SER A 1 37 ? 6.546 2.182 -12.199 1.00 96.98 37 A 1 ATOM 310 O O . SER A 1 37 ? 7.062 1.194 -11.680 1.00 96.24 37 A 1 ATOM 311 C CB . SER A 1 37 ? 5.305 1.719 -14.341 1.00 95.20 37 A 1 ATOM 312 O OG . SER A 1 37 ? 5.259 0.329 -14.085 1.00 87.10 37 A 1 ATOM 313 N N . ILE A 1 38 ? 5.981 3.157 -11.495 1.00 97.07 38 A 1 ATOM 314 C CA . ILE A 1 38 ? 5.799 3.089 -10.045 1.00 96.96 38 A 1 ATOM 315 C C . ILE A 1 38 ? 4.435 3.666 -9.681 1.00 97.21 38 A 1 ATOM 316 O O . ILE A 1 38 ? 4.096 4.781 -10.067 1.00 96.55 38 A 1 ATOM 317 C CB . ILE A 1 38 ? 6.970 3.757 -9.290 1.00 95.77 38 A 1 ATOM 318 C CG1 . ILE A 1 38 ? 6.820 3.547 -7.767 1.00 89.91 38 A 1 ATOM 319 C CG2 . ILE A 1 38 ? 7.138 5.252 -9.636 1.00 87.97 38 A 1 ATOM 320 C CD1 . ILE A 1 38 ? 8.076 3.912 -6.963 1.00 85.69 38 A 1 ATOM 321 N N . GLU A 1 39 ? 3.668 2.904 -8.920 1.00 97.58 39 A 1 ATOM 322 C CA . GLU A 1 39 ? 2.362 3.299 -8.413 1.00 97.52 39 A 1 ATOM 323 C C . GLU A 1 39 ? 2.331 3.035 -6.913 1.00 97.74 39 A 1 ATOM 324 O O . GLU A 1 39 ? 2.713 1.960 -6.449 1.00 97.29 39 A 1 ATOM 325 C CB . GLU A 1 39 ? 1.263 2.517 -9.129 1.00 96.64 39 A 1 ATOM 326 C CG . GLU A 1 39 ? 1.168 2.870 -10.622 1.00 91.07 39 A 1 ATOM 327 C CD . GLU A 1 39 ? 0.201 1.902 -11.297 1.00 88.05 39 A 1 ATOM 328 O OE1 . GLU A 1 39 ? -1.015 2.181 -11.324 1.00 80.86 39 A 1 ATOM 329 O OE2 . GLU A 1 39 ? 0.669 0.817 -11.711 1.00 81.56 39 A 1 ATOM 330 N N . GLN A 1 40 ? 1.892 4.029 -6.139 1.00 97.64 40 A 1 ATOM 331 C CA . GLN A 1 40 ? 1.789 3.877 -4.696 1.00 97.80 40 A 1 ATOM 332 C C . GLN A 1 40 ? 0.565 4.602 -4.155 1.00 97.75 40 A 1 ATOM 333 O O . GLN A 1 40 ? 0.301 5.761 -4.471 1.00 97.08 40 A 1 ATOM 334 C CB . GLN A 1 40 ? 3.083 4.357 -4.015 1.00 97.17 40 A 1 ATOM 335 C CG . GLN A 1 40 ? 3.042 4.126 -2.497 1.00 95.14 40 A 1 ATOM 336 C CD . GLN A 1 40 ? 4.301 4.576 -1.755 1.00 93.64 40 A 1 ATOM 337 O OE1 . GLN A 1 40 ? 5.385 4.713 -2.278 1.00 88.98 40 A 1 ATOM 338 N NE2 . GLN A 1 40 ? 4.193 4.824 -0.465 1.00 85.46 40 A 1 ATOM 339 N N . PHE A 1 41 ? -0.114 3.949 -3.232 1.00 97.85 41 A 1 ATOM 340 C CA . PHE A 1 41 ? -1.071 4.611 -2.360 1.00 97.82 41 A 1 ATOM 341 C C . PHE A 1 41 ? -0.951 4.102 -0.927 1.00 97.92 41 A 1 ATOM 342 O O . PHE A 1 41 ? -0.465 3.006 -0.657 1.00 97.59 41 A 1 ATOM 343 C CB . PHE A 1 41 ? -2.491 4.469 -2.911 1.00 97.52 41 A 1 ATOM 344 C CG . PHE A 1 41 ? -3.029 3.057 -2.913 1.00 97.62 41 A 1 ATOM 345 C CD1 . PHE A 1 41 ? -2.765 2.195 -3.997 1.00 97.09 41 A 1 ATOM 346 C CD2 . PHE A 1 41 ? -3.815 2.601 -1.842 1.00 96.88 41 A 1 ATOM 347 C CE1 . PHE A 1 41 ? -3.286 0.894 -4.010 1.00 95.96 41 A 1 ATOM 348 C CE2 . PHE A 1 41 ? -4.337 1.296 -1.851 1.00 96.13 41 A 1 ATOM 349 C CZ . PHE A 1 41 ? -4.072 0.444 -2.935 1.00 95.97 41 A 1 ATOM 350 N N . ASN A 1 42 ? -1.404 4.931 0.012 1.00 97.43 42 A 1 ATOM 351 C CA . ASN A 1 42 ? -1.517 4.544 1.409 1.00 97.01 42 A 1 ATOM 352 C C . ASN A 1 42 ? -2.998 4.476 1.767 1.00 96.38 42 A 1 ATOM 353 O O . ASN A 1 42 ? -3.764 5.364 1.377 1.00 94.33 42 A 1 ATOM 354 C CB . ASN A 1 42 ? -0.770 5.547 2.290 1.00 96.22 42 A 1 ATOM 355 C CG . ASN A 1 42 ? 0.706 5.627 1.941 1.00 94.11 42 A 1 ATOM 356 O OD1 . ASN A 1 42 ? 1.420 4.656 1.907 1.00 86.32 42 A 1 ATOM 357 N ND2 . ASN A 1 42 ? 1.229 6.811 1.699 1.00 85.90 42 A 1 ATOM 358 N N . TRP A 1 43 ? -3.386 3.471 2.530 1.00 95.91 43 A 1 ATOM 359 C CA . TRP A 1 43 ? -4.768 3.304 2.960 1.00 95.43 43 A 1 ATOM 360 C C . TRP A 1 43 ? -4.828 3.078 4.469 1.00 95.96 43 A 1 ATOM 361 O O . TRP A 1 43 ? -4.120 2.237 5.011 1.00 94.94 43 A 1 ATOM 362 C CB . TRP A 1 43 ? -5.413 2.174 2.162 1.00 93.24 43 A 1 ATOM 363 C CG . TRP A 1 43 ? -6.900 2.059 2.301 1.00 91.07 43 A 1 ATOM 364 C CD1 . TRP A 1 43 ? -7.754 3.056 2.622 1.00 84.68 43 A 1 ATOM 365 C CD2 . TRP A 1 43 ? -7.722 0.866 2.107 1.00 88.94 43 A 1 ATOM 366 N NE1 . TRP A 1 43 ? -9.052 2.566 2.646 1.00 82.52 43 A 1 ATOM 367 C CE2 . TRP A 1 43 ? -9.073 1.229 2.328 1.00 87.05 43 A 1 ATOM 368 C CE3 . TRP A 1 43 ? -7.443 -0.470 1.762 1.00 80.99 43 A 1 ATOM 369 C CZ2 . TRP A 1 43 ? -10.121 0.294 2.219 1.00 79.94 43 A 1 ATOM 370 C CZ3 . TRP A 1 43 ? -8.488 -1.403 1.649 1.00 77.68 43 A 1 ATOM 371 C CH2 . TRP A 1 43 ? -9.810 -1.019 1.879 1.00 79.13 43 A 1 ATOM 372 N N . LYS A 1 44 ? -5.627 3.874 5.180 1.00 95.87 44 A 1 ATOM 373 C CA . LYS A 1 44 ? -5.855 3.688 6.616 1.00 95.45 44 A 1 ATOM 374 C C . LYS A 1 44 ? -7.042 2.746 6.795 1.00 95.27 44 A 1 ATOM 375 O O . LYS A 1 44 ? -8.166 3.138 6.505 1.00 93.68 44 A 1 ATOM 376 C CB . LYS A 1 44 ? -6.089 5.030 7.318 1.00 94.43 44 A 1 ATOM 377 C CG . LYS A 1 44 ? -4.817 5.891 7.412 1.00 88.39 44 A 1 ATOM 378 C CD . LYS A 1 44 ? -5.111 7.164 8.218 1.00 83.67 44 A 1 ATOM 379 C CE . LYS A 1 44 ? -3.862 8.037 8.363 1.00 75.36 44 A 1 ATOM 380 N NZ . LYS A 1 44 ? -4.120 9.250 9.183 1.00 67.36 44 A 1 ATOM 381 N N . ILE A 1 45 ? -6.771 1.541 7.282 1.00 95.24 45 A 1 ATOM 382 C CA . ILE A 1 45 ? -7.795 0.519 7.510 1.00 94.94 45 A 1 ATOM 383 C C . ILE A 1 45 ? -7.949 0.226 9.004 1.00 95.25 45 A 1 ATOM 384 O O . ILE A 1 45 ? -6.993 0.390 9.765 1.00 94.67 45 A 1 ATOM 385 C CB . ILE A 1 45 ? -7.501 -0.763 6.707 1.00 93.80 45 A 1 ATOM 386 C CG1 . ILE A 1 45 ? -6.148 -1.405 7.081 1.00 87.05 45 A 1 ATOM 387 C CG2 . ILE A 1 45 ? -7.583 -0.450 5.207 1.00 85.43 45 A 1 ATOM 388 C CD1 . ILE A 1 45 ? -5.948 -2.779 6.437 1.00 85.41 45 A 1 ATOM 389 N N . PRO A 1 46 ? -9.132 -0.216 9.453 1.00 95.37 46 A 1 ATOM 390 C CA . PRO A 1 46 ? -9.292 -0.760 10.798 1.00 95.18 46 A 1 ATOM 391 C C . PRO A 1 46 ? -8.354 -1.957 11.026 1.00 95.61 46 A 1 ATOM 392 O O . PRO A 1 46 ? -8.244 -2.820 10.160 1.00 94.84 46 A 1 ATOM 393 C CB . PRO A 1 46 ? -10.767 -1.170 10.897 1.00 93.86 46 A 1 ATOM 394 C CG . PRO A 1 46 ? -11.460 -0.333 9.824 1.00 91.34 46 A 1 ATOM 395 C CD . PRO A 1 46 ? -10.398 -0.241 8.737 1.00 94.26 46 A 1 ATOM 396 N N . GLY A 1 47 ? -7.719 -2.048 12.198 1.00 95.27 47 A 1 ATOM 397 C CA . GLY A 1 47 ? -6.752 -3.113 12.508 1.00 95.12 47 A 1 ATOM 398 C C . GLY A 1 47 ? -7.301 -4.534 12.363 1.00 95.61 47 A 1 ATOM 399 O O . GLY A 1 47 ? -6.598 -5.421 11.887 1.00 94.67 47 A 1 ATOM 400 N N . ASN A 1 48 ? -8.589 -4.744 12.661 1.00 95.68 48 A 1 ATOM 401 C CA . ASN A 1 48 ? -9.261 -6.039 12.477 1.00 95.41 48 A 1 ATOM 402 C C . ASN A 1 48 ? -9.426 -6.467 11.004 1.00 95.71 48 A 1 ATOM 403 O O . ASN A 1 48 ? -9.783 -7.611 10.744 1.00 94.62 48 A 1 ATOM 404 C CB . ASN A 1 48 ? -10.638 -5.998 13.164 1.00 94.44 48 A 1 ATOM 405 C CG . ASN A 1 48 ? -11.634 -5.083 12.460 1.00 90.13 48 A 1 ATOM 406 O OD1 . ASN A 1 48 ? -11.289 -4.080 11.863 1.00 83.16 48 A 1 ATOM 407 N ND2 . ASN A 1 48 ? -12.913 -5.382 12.523 1.00 83.76 48 A 1 ATOM 408 N N . LYS A 1 49 ? -9.218 -5.569 10.038 1.00 95.26 49 A 1 ATOM 409 C CA . LYS A 1 49 ? -9.276 -5.869 8.601 1.00 94.96 49 A 1 ATOM 410 C C . LYS A 1 49 ? -7.892 -6.080 7.981 1.00 95.71 49 A 1 ATOM 411 O O . LYS A 1 49 ? -7.827 -6.422 6.808 1.00 94.98 49 A 1 ATOM 412 C CB . LYS A 1 49 ? -10.057 -4.782 7.851 1.00 93.64 49 A 1 ATOM 413 C CG . LYS A 1 49 ? -11.536 -4.720 8.265 1.00 89.94 49 A 1 ATOM 414 C CD . LYS A 1 49 ? -12.307 -3.778 7.336 1.00 83.69 49 A 1 ATOM 415 C CE . LYS A 1 49 ? -13.793 -3.756 7.700 1.00 78.20 49 A 1 ATOM 416 N NZ . LYS A 1 49 ? -14.583 -2.933 6.746 1.00 69.40 49 A 1 ATOM 417 N N . LEU A 1 50 ? -6.799 -5.892 8.734 1.00 95.50 50 A 1 ATOM 418 C CA . LEU A 1 50 ? -5.434 -5.951 8.206 1.00 95.79 50 A 1 ATOM 419 C C . LEU A 1 50 ? -5.115 -7.314 7.588 1.00 95.85 50 A 1 ATOM 420 O O . LEU A 1 50 ? -4.717 -7.367 6.430 1.00 95.44 50 A 1 ATOM 421 C CB . LEU A 1 50 ? -4.435 -5.591 9.317 1.00 95.41 50 A 1 ATOM 422 C CG . LEU A 1 50 ? -2.960 -5.706 8.878 1.00 94.11 50 A 1 ATOM 423 C CD1 . LEU A 1 50 ? -2.627 -4.757 7.726 1.00 92.13 50 A 1 ATOM 424 C CD2 . LEU A 1 50 ? -2.047 -5.387 10.063 1.00 91.89 50 A 1 ATOM 425 N N . GLN A 1 51 ? -5.340 -8.401 8.323 1.00 95.38 51 A 1 ATOM 426 C CA . GLN A 1 51 ? -5.020 -9.751 7.846 1.00 95.07 51 A 1 ATOM 427 C C . GLN A 1 51 ? -5.736 -10.064 6.526 1.00 95.10 51 A 1 ATOM 428 O O . GLN A 1 51 ? -5.102 -10.497 5.566 1.00 94.31 51 A 1 ATOM 429 C CB . GLN A 1 51 ? -5.374 -10.759 8.945 1.00 94.33 51 A 1 ATOM 430 C CG . GLN A 1 51 ? -4.891 -12.178 8.591 1.00 83.23 51 A 1 ATOM 431 C CD . GLN A 1 51 ? -5.110 -13.165 9.741 1.00 74.46 51 A 1 ATOM 432 O OE1 . GLN A 1 51 ? -5.655 -12.846 10.789 1.00 66.51 51 A 1 ATOM 433 N NE2 . GLN A 1 51 ? -4.682 -14.397 9.584 1.00 62.76 51 A 1 ATOM 434 N N . LYS A 1 52 ? -7.025 -9.737 6.437 1.00 95.58 52 A 1 ATOM 435 C CA . LYS A 1 52 ? -7.800 -9.910 5.208 1.00 95.58 52 A 1 ATOM 436 C C . LYS A 1 52 ? -7.315 -8.993 4.078 1.00 95.97 52 A 1 ATOM 437 O O . LYS A 1 52 ? -7.347 -9.387 2.923 1.00 95.21 52 A 1 ATOM 438 C CB . LYS A 1 52 ? -9.288 -9.704 5.526 1.00 94.60 52 A 1 ATOM 439 C CG . LYS A 1 52 ? -10.150 -10.069 4.317 1.00 83.17 52 A 1 ATOM 440 C CD . LYS A 1 52 ? -11.643 -10.070 4.664 1.00 77.70 52 A 1 ATOM 441 C CE . LYS A 1 52 ? -12.389 -10.539 3.419 1.00 67.78 52 A 1 ATOM 442 N NZ . LYS A 1 52 ? -13.832 -10.766 3.674 1.00 59.97 52 A 1 ATOM 443 N N . ALA A 1 53 ? -6.876 -7.773 4.380 1.00 96.23 53 A 1 ATOM 444 C CA . ALA A 1 53 ? -6.361 -6.849 3.371 1.00 96.10 53 A 1 ATOM 445 C C . ALA A 1 53 ? -5.047 -7.345 2.749 1.00 96.30 53 A 1 ATOM 446 O O . ALA A 1 53 ? -4.836 -7.133 1.564 1.00 95.58 53 A 1 ATOM 447 C CB . ALA A 1 53 ? -6.196 -5.460 3.996 1.00 95.67 53 A 1 ATOM 448 N N . LEU A 1 54 ? -4.195 -8.035 3.515 1.00 95.62 54 A 1 ATOM 449 C CA . LEU A 1 54 ? -2.942 -8.615 3.013 1.00 95.37 54 A 1 ATOM 450 C C . LEU A 1 54 ? -3.155 -9.775 2.021 1.00 95.49 54 A 1 ATOM 451 O O . LEU A 1 54 ? -2.225 -10.119 1.306 1.00 94.41 54 A 1 ATOM 452 C CB . LEU A 1 54 ? -2.087 -9.076 4.210 1.00 94.97 54 A 1 ATOM 453 C CG . LEU A 1 54 ? -1.571 -7.938 5.114 1.00 93.56 54 A 1 ATOM 454 C CD1 . LEU A 1 54 ? -0.921 -8.517 6.367 1.00 90.90 54 A 1 ATOM 455 C CD2 . LEU A 1 54 ? -0.549 -7.053 4.408 1.00 91.00 54 A 1 ATOM 456 N N . GLU A 1 55 ? -4.357 -10.346 1.953 1.00 95.48 55 A 1 ATOM 457 C CA . GLU A 1 55 ? -4.712 -11.404 0.991 1.00 95.37 55 A 1 ATOM 458 C C . GLU A 1 55 ? -5.126 -10.850 -0.386 1.00 95.53 55 A 1 ATOM 459 O O . GLU A 1 55 ? -5.218 -11.607 -1.352 1.00 94.26 55 A 1 ATOM 460 C CB . GLU A 1 55 ? -5.855 -12.259 1.566 1.00 94.57 55 A 1 ATOM 461 C CG . GLU A 1 55 ? -5.478 -13.007 2.858 1.00 89.25 55 A 1 ATOM 462 C CD . GLU A 1 55 ? -6.675 -13.684 3.555 1.00 82.38 55 A 1 ATOM 463 O OE1 . GLU A 1 55 ? -6.453 -14.279 4.631 1.00 76.08 55 A 1 ATOM 464 O OE2 . GLU A 1 55 ? -7.828 -13.570 3.066 1.00 77.16 55 A 1 ATOM 465 N N . TYR A 1 56 ? -5.405 -9.542 -0.490 1.00 96.81 56 A 1 ATOM 466 C CA . TYR A 1 56 ? -5.836 -8.922 -1.738 1.00 96.85 56 A 1 ATOM 467 C C . TYR A 1 56 ? -4.656 -8.380 -2.550 1.00 96.96 56 A 1 ATOM 468 O O . TYR A 1 56 ? -3.641 -7.933 -2.010 1.00 96.15 56 A 1 ATOM 469 C CB . TYR A 1 56 ? -6.853 -7.813 -1.463 1.00 96.45 56 A 1 ATOM 470 C CG . TYR A 1 56 ? -8.183 -8.283 -0.914 1.00 95.44 56 A 1 ATOM 471 C CD1 . TYR A 1 56 ? -9.019 -9.111 -1.683 1.00 91.75 56 A 1 ATOM 472 C CD2 . TYR A 1 56 ? -8.597 -7.888 0.372 1.00 91.24 56 A 1 ATOM 473 C CE1 . TYR A 1 56 ? -10.253 -9.551 -1.176 1.00 89.25 56 A 1 ATOM 474 C CE2 . TYR A 1 56 ? -9.828 -8.325 0.889 1.00 89.57 56 A 1 ATOM 475 C CZ . TYR A 1 56 ? -10.655 -9.160 0.113 1.00 90.22 56 A 1 ATOM 476 O OH . TYR A 1 56 ? -11.851 -9.600 0.622 1.00 87.97 56 A 1 ATOM 477 N N . SER A 1 57 ? -4.838 -8.331 -3.869 1.00 96.51 57 A 1 ATOM 478 C CA . SER A 1 57 ? -3.931 -7.669 -4.803 1.00 96.62 57 A 1 ATOM 479 C C . SER A 1 57 ? -3.967 -6.139 -4.669 1.00 97.10 57 A 1 ATOM 480 O O . SER A 1 57 ? -4.885 -5.547 -4.087 1.00 97.02 57 A 1 ATOM 481 C CB . SER A 1 57 ? -4.284 -8.082 -6.238 1.00 95.81 57 A 1 ATOM 482 O OG . SER A 1 57 ? -5.573 -7.615 -6.580 1.00 91.74 57 A 1 ATOM 483 N N . PHE A 1 58 ? -2.979 -5.471 -5.275 1.00 97.06 58 A 1 ATOM 484 C CA . PHE A 1 58 ? -2.920 -4.010 -5.373 1.00 97.37 58 A 1 ATOM 485 C C . PHE A 1 58 ? -4.194 -3.424 -6.000 1.00 97.38 58 A 1 ATOM 486 O O . PHE A 1 58 ? -4.776 -2.482 -5.455 1.00 97.17 58 A 1 ATOM 487 C CB . PHE A 1 58 ? -1.682 -3.632 -6.191 1.00 97.26 58 A 1 ATOM 488 C CG . PHE A 1 58 ? -1.492 -2.146 -6.379 1.00 97.53 58 A 1 ATOM 489 C CD1 . PHE A 1 58 ? -2.166 -1.465 -7.410 1.00 96.93 58 A 1 ATOM 490 C CD2 . PHE A 1 58 ? -0.625 -1.435 -5.530 1.00 96.96 58 A 1 ATOM 491 C CE1 . PHE A 1 58 ? -1.976 -0.084 -7.590 1.00 96.23 58 A 1 ATOM 492 C CE2 . PHE A 1 58 ? -0.429 -0.058 -5.715 1.00 96.11 58 A 1 ATOM 493 C CZ . PHE A 1 58 ? -1.106 0.619 -6.745 1.00 96.34 58 A 1 ATOM 494 N N . ASP A 1 59 ? -4.661 -3.987 -7.107 1.00 97.47 59 A 1 ATOM 495 C CA . ASP A 1 59 ? -5.825 -3.483 -7.839 1.00 97.30 59 A 1 ATOM 496 C C . ASP A 1 59 ? -7.133 -3.660 -7.054 1.00 97.40 59 A 1 ATOM 497 O O . ASP A 1 59 ? -8.008 -2.789 -7.076 1.00 96.90 59 A 1 ATOM 498 C CB . ASP A 1 59 ? -5.928 -4.189 -9.198 1.00 96.57 59 A 1 ATOM 499 C CG . ASP A 1 59 ? -4.878 -3.719 -10.214 1.00 92.71 59 A 1 ATOM 500 O OD1 . ASP A 1 59 ? -4.422 -2.554 -10.126 1.00 89.19 59 A 1 ATOM 501 O OD2 . ASP A 1 59 ? -4.573 -4.508 -11.127 1.00 88.16 59 A 1 ATOM 502 N N . GLU A 1 60 ? -7.275 -4.756 -6.318 1.00 97.53 60 A 1 ATOM 503 C CA . GLU A 1 60 ? -8.432 -4.983 -5.445 1.00 97.42 60 A 1 ATOM 504 C C . GLU A 1 60 ? -8.456 -3.976 -4.287 1.00 97.26 60 A 1 ATOM 505 O O . GLU A 1 60 ? -9.482 -3.332 -4.044 1.00 96.78 60 A 1 ATOM 506 C CB . GLU A 1 60 ? -8.400 -6.410 -4.900 1.00 97.32 60 A 1 ATOM 507 C CG . GLU A 1 60 ? -8.760 -7.438 -5.980 1.00 94.88 60 A 1 ATOM 508 C CD . GLU A 1 60 ? -8.495 -8.855 -5.478 1.00 91.23 60 A 1 ATOM 509 O OE1 . GLU A 1 60 ? -9.441 -9.669 -5.527 1.00 85.24 60 A 1 ATOM 510 O OE2 . GLU A 1 60 ? -7.353 -9.099 -5.030 1.00 85.72 60 A 1 ATOM 511 N N . LEU A 1 61 ? -7.317 -3.764 -3.621 1.00 97.56 61 A 1 ATOM 512 C CA . LEU A 1 61 ? -7.201 -2.783 -2.540 1.00 97.30 61 A 1 ATOM 513 C C . LEU A 1 61 ? -7.444 -1.355 -3.036 1.00 96.81 61 A 1 ATOM 514 O O . LEU A 1 61 ? -8.097 -0.563 -2.349 1.00 96.35 61 A 1 ATOM 515 C CB . LEU A 1 61 ? -5.815 -2.900 -1.898 1.00 97.31 61 A 1 ATOM 516 C CG . LEU A 1 61 ? -5.604 -4.193 -1.094 1.00 96.63 61 A 1 ATOM 517 C CD1 . LEU A 1 61 ? -4.149 -4.274 -0.662 1.00 95.76 61 A 1 ATOM 518 C CD2 . LEU A 1 61 ? -6.475 -4.237 0.167 1.00 95.56 61 A 1 ATOM 519 N N . TYR A 1 62 ? -6.986 -1.009 -4.242 1.00 97.29 62 A 1 ATOM 520 C CA . TYR A 1 62 ? -7.250 0.288 -4.857 1.00 96.77 62 A 1 ATOM 521 C C . TYR A 1 62 ? -8.744 0.504 -5.109 1.00 96.43 62 A 1 ATOM 522 O O . TYR A 1 62 ? -9.286 1.550 -4.736 1.00 95.97 62 A 1 ATOM 523 C CB . TYR A 1 62 ? -6.438 0.420 -6.143 1.00 96.24 62 A 1 ATOM 524 C CG . TYR A 1 62 ? -6.543 1.799 -6.759 1.00 94.63 62 A 1 ATOM 525 C CD1 . TYR A 1 62 ? -7.203 1.981 -7.985 1.00 91.16 62 A 1 ATOM 526 C CD2 . TYR A 1 62 ? -5.983 2.910 -6.092 1.00 90.86 62 A 1 ATOM 527 C CE1 . TYR A 1 62 ? -7.289 3.262 -8.554 1.00 89.05 62 A 1 ATOM 528 C CE2 . TYR A 1 62 ? -6.073 4.196 -6.651 1.00 89.11 62 A 1 ATOM 529 C CZ . TYR A 1 62 ? -6.726 4.367 -7.885 1.00 89.09 62 A 1 ATOM 530 O OH . TYR A 1 62 ? -6.815 5.621 -8.433 1.00 87.10 62 A 1 ATOM 531 N N . LYS A 1 63 ? -9.452 -0.505 -5.638 1.00 96.72 63 A 1 ATOM 532 C CA . LYS A 1 63 ? -10.913 -0.469 -5.817 1.00 96.65 63 A 1 ATOM 533 C C . LYS A 1 63 ? -11.651 -0.285 -4.485 1.00 96.22 63 A 1 ATOM 534 O O . LYS A 1 63 ? -12.595 0.505 -4.415 1.00 95.53 63 A 1 ATOM 535 C CB . LYS A 1 63 ? -11.385 -1.757 -6.506 1.00 96.63 63 A 1 ATOM 536 C CG . LYS A 1 63 ? -11.008 -1.815 -7.996 1.00 88.58 63 A 1 ATOM 537 C CD . LYS A 1 63 ? -11.254 -3.221 -8.552 1.00 84.46 63 A 1 ATOM 538 C CE . LYS A 1 63 ? -10.748 -3.339 -9.990 1.00 74.52 63 A 1 ATOM 539 N NZ . LYS A 1 63 ? -10.736 -4.742 -10.482 1.00 67.51 63 A 1 ATOM 540 N N . PHE A 1 64 ? -11.230 -0.965 -3.418 1.00 95.77 64 A 1 ATOM 541 C CA . PHE A 1 64 ? -11.842 -0.785 -2.099 1.00 94.96 64 A 1 ATOM 542 C C . PHE A 1 64 ? -11.621 0.626 -1.550 1.00 94.74 64 A 1 ATOM 543 O O . PHE A 1 64 ? -12.574 1.252 -1.081 1.00 93.61 64 A 1 ATOM 544 C CB . PHE A 1 64 ? -11.317 -1.832 -1.114 1.00 94.38 64 A 1 ATOM 545 C CG . PHE A 1 64 ? -11.672 -3.271 -1.436 1.00 93.17 64 A 1 ATOM 546 C CD1 . PHE A 1 64 ? -12.939 -3.619 -1.939 1.00 90.30 64 A 1 ATOM 547 C CD2 . PHE A 1 64 ? -10.719 -4.284 -1.201 1.00 90.45 64 A 1 ATOM 548 C CE1 . PHE A 1 64 ? -13.246 -4.957 -2.234 1.00 88.69 64 A 1 ATOM 549 C CE2 . PHE A 1 64 ? -11.024 -5.620 -1.492 1.00 88.61 64 A 1 ATOM 550 C CZ . PHE A 1 64 ? -12.287 -5.958 -2.015 1.00 88.73 64 A 1 ATOM 551 N N . LYS A 1 65 ? -10.414 1.184 -1.674 1.00 95.19 65 A 1 ATOM 552 C CA . LYS A 1 65 ? -10.118 2.562 -1.271 1.00 94.74 65 A 1 ATOM 553 C C . LYS A 1 65 ? -10.962 3.579 -2.044 1.00 94.10 65 A 1 ATOM 554 O O . LYS A 1 65 ? -11.477 4.525 -1.450 1.00 92.61 65 A 1 ATOM 555 C CB . LYS A 1 65 ? -8.618 2.828 -1.463 1.00 94.62 65 A 1 ATOM 556 C CG . LYS A 1 65 ? -8.239 4.231 -0.974 1.00 93.50 65 A 1 ATOM 557 C CD . LYS A 1 65 ? -6.769 4.518 -1.249 1.00 90.44 65 A 1 ATOM 558 C CE . LYS A 1 65 ? -6.466 5.958 -0.836 1.00 86.08 65 A 1 ATOM 559 N NZ . LYS A 1 65 ? -5.082 6.328 -1.185 1.00 79.07 65 A 1 ATOM 560 N N . GLN A 1 66 ? -11.134 3.412 -3.352 1.00 94.81 66 A 1 ATOM 561 C CA . GLN A 1 66 ? -11.983 4.298 -4.155 1.00 94.61 66 A 1 ATOM 562 C C . GLN A 1 66 ? -13.450 4.251 -3.717 1.00 94.24 66 A 1 ATOM 563 O O . GLN A 1 66 ? -14.100 5.290 -3.684 1.00 92.77 66 A 1 ATOM 564 C CB . GLN A 1 66 ? -11.880 3.953 -5.641 1.00 94.18 66 A 1 ATOM 565 C CG . GLN A 1 66 ? -10.559 4.429 -6.264 1.00 89.79 66 A 1 ATOM 566 C CD . GLN A 1 66 ? -10.650 4.528 -7.784 1.00 82.01 66 A 1 ATOM 567 O OE1 . GLN A 1 66 ? -11.563 4.033 -8.423 1.00 73.78 66 A 1 ATOM 568 N NE2 . GLN A 1 66 ? -9.726 5.213 -8.424 1.00 71.49 66 A 1 ATOM 569 N N . LYS A 1 67 ? -13.972 3.083 -3.351 1.00 94.26 67 A 1 ATOM 570 C CA . LYS A 1 67 ? -15.338 2.958 -2.821 1.00 93.79 67 A 1 ATOM 571 C C . LYS A 1 67 ? -15.507 3.688 -1.486 1.00 92.86 67 A 1 ATOM 572 O O . LYS A 1 67 ? -16.537 4.313 -1.292 1.00 90.44 67 A 1 ATOM 573 C CB . LYS A 1 67 ? -15.728 1.482 -2.674 1.00 93.53 67 A 1 ATOM 574 C CG . LYS A 1 67 ? -15.971 0.796 -4.028 1.00 85.15 67 A 1 ATOM 575 C CD . LYS A 1 67 ? -16.269 -0.692 -3.809 1.00 81.40 67 A 1 ATOM 576 C CE . LYS A 1 67 ? -16.497 -1.405 -5.143 1.00 73.04 67 A 1 ATOM 577 N NZ . LYS A 1 67 ? -16.824 -2.846 -4.955 1.00 65.10 67 A 1 ATOM 578 N N . GLU A 1 68 ? -14.516 3.651 -0.602 1.00 90.21 68 A 1 ATOM 579 C CA . GLU A 1 68 ? -14.548 4.383 0.677 1.00 87.50 68 A 1 ATOM 580 C C . GLU A 1 68 ? -14.540 5.912 0.473 1.00 85.67 68 A 1 ATOM 581 O O . GLU A 1 68 ? -15.187 6.649 1.210 1.00 81.61 68 A 1 ATOM 582 C CB . GLU A 1 68 ? -13.357 3.933 1.549 1.00 84.27 68 A 1 ATOM 583 C CG . GLU A 1 68 ? -13.419 4.469 2.994 1.00 76.79 68 A 1 ATOM 584 C CD . GLU A 1 68 ? -12.223 4.046 3.881 1.00 75.98 68 A 1 ATOM 585 O OE1 . GLU A 1 68 ? -12.243 4.341 5.101 1.00 70.85 68 A 1 ATOM 586 O OE2 . GLU A 1 68 ? -11.253 3.449 3.366 1.00 71.65 68 A 1 ATOM 587 N N . ASN A 1 69 ? -13.830 6.401 -0.552 1.00 83.43 69 A 1 ATOM 588 C CA . ASN A 1 69 ? -13.749 7.831 -0.869 1.00 82.71 69 A 1 ATOM 589 C C . ASN A 1 69 ? -14.991 8.389 -1.590 1.00 82.55 69 A 1 ATOM 590 O O . ASN A 1 69 ? -15.088 9.609 -1.731 1.00 78.79 69 A 1 ATOM 591 C CB . ASN A 1 69 ? -12.484 8.092 -1.699 1.00 79.36 69 A 1 ATOM 592 C CG . ASN A 1 69 ? -11.192 7.990 -0.902 1.00 74.38 69 A 1 ATOM 593 O OD1 . ASN A 1 69 ? -11.121 8.075 0.314 1.00 68.30 69 A 1 ATOM 594 N ND2 . ASN A 1 69 ? -10.084 7.860 -1.599 1.00 69.12 69 A 1 ATOM 595 N N . ARG A 1 70 ? -15.924 7.558 -2.049 1.00 80.19 70 A 1 ATOM 596 C CA . ARG A 1 70 ? -17.265 8.004 -2.455 1.00 79.53 70 A 1 ATOM 597 C C . ARG A 1 70 ? -18.036 8.423 -1.200 1.00 77.15 70 A 1 ATOM 598 O O . ARG A 1 70 ? -18.912 7.709 -0.736 1.00 73.21 70 A 1 ATOM 599 C CB . ARG A 1 70 ? -18.028 6.924 -3.247 1.00 76.33 70 A 1 ATOM 600 C CG . ARG A 1 70 ? -17.458 6.675 -4.647 1.00 69.00 70 A 1 ATOM 601 C CD . ARG A 1 70 ? -18.335 5.640 -5.355 1.00 66.63 70 A 1 ATOM 602 N NE . ARG A 1 70 ? -17.844 5.337 -6.714 1.00 59.90 70 A 1 ATOM 603 C CZ . ARG A 1 70 ? -18.491 4.622 -7.625 1.00 54.01 70 A 1 ATOM 604 N NH1 . ARG A 1 70 ? -19.651 4.074 -7.377 1.00 51.04 70 A 1 ATOM 605 N NH2 . ARG A 1 70 ? -17.971 4.445 -8.808 1.00 48.75 70 A 1 ATOM 606 N N . ARG A 1 71 ? -17.695 9.586 -0.652 1.00 65.97 71 A 1 ATOM 607 C CA . ARG A 1 71 ? -18.662 10.340 0.129 1.00 64.82 71 A 1 ATOM 608 C C . ARG A 1 71 ? -19.771 10.703 -0.850 1.00 63.59 71 A 1 ATOM 609 O O . ARG A 1 71 ? -19.489 11.296 -1.894 1.00 59.54 71 A 1 ATOM 610 C CB . ARG A 1 71 ? -18.041 11.589 0.770 1.00 61.27 71 A 1 ATOM 611 C CG . ARG A 1 71 ? -17.058 11.208 1.886 1.00 55.35 71 A 1 ATOM 612 C CD . ARG A 1 71 ? -16.537 12.470 2.578 1.00 51.60 71 A 1 ATOM 613 N NE . ARG A 1 71 ? -15.577 12.126 3.649 1.00 48.14 71 A 1 ATOM 614 C CZ . ARG A 1 71 ? -14.959 12.994 4.441 1.00 43.44 71 A 1 ATOM 615 N NH1 . ARG A 1 71 ? -15.139 14.282 4.320 1.00 42.05 71 A 1 ATOM 616 N NH2 . ARG A 1 71 ? -14.143 12.569 5.368 1.00 40.51 71 A 1 ATOM 617 N N . GLU A 1 72 ? -20.991 10.316 -0.525 1.00 62.10 72 A 1 ATOM 618 C CA . GLU A 1 72 ? -22.154 11.022 -1.039 1.00 61.76 72 A 1 ATOM 619 C C . GLU A 1 72 ? -21.945 12.486 -0.655 1.00 59.72 72 A 1 ATOM 620 O O . GLU A 1 72 ? -21.886 12.841 0.526 1.00 55.86 72 A 1 ATOM 621 C CB . GLU A 1 72 ? -23.442 10.417 -0.449 1.00 58.70 72 A 1 ATOM 622 C CG . GLU A 1 72 ? -23.718 9.023 -1.058 1.00 51.60 72 A 1 ATOM 623 C CD . GLU A 1 72 ? -24.904 8.273 -0.440 1.00 48.22 72 A 1 ATOM 624 O OE1 . GLU A 1 72 ? -25.382 7.330 -1.117 1.00 44.77 72 A 1 ATOM 625 O OE2 . GLU A 1 72 ? -25.274 8.577 0.709 1.00 46.73 72 A 1 ATOM 626 N N . THR A 1 73 ? -21.676 13.337 -1.654 1.00 56.41 73 A 1 ATOM 627 C CA . THR A 1 73 ? -21.948 14.757 -1.512 1.00 58.05 73 A 1 ATOM 628 C C . THR A 1 73 ? -23.464 14.864 -1.563 1.00 58.98 73 A 1 ATOM 629 O O . THR A 1 73 ? -24.036 14.780 -2.650 1.00 53.91 73 A 1 ATOM 630 C CB . THR A 1 73 ? -21.306 15.581 -2.642 1.00 54.04 73 A 1 ATOM 631 O OG1 . THR A 1 73 ? -21.487 14.949 -3.895 1.00 48.21 73 A 1 ATOM 632 C CG2 . THR A 1 73 ? -19.795 15.752 -2.433 1.00 48.87 73 A 1 ATOM 633 N N . ASP A 1 74 ? -24.085 14.974 -0.393 1.00 56.51 74 A 1 ATOM 634 C CA . ASP A 1 74 ? -25.378 15.641 -0.296 1.00 58.41 74 A 1 ATOM 635 C C . ASP A 1 74 ? -25.226 17.106 -0.761 1.00 53.85 74 A 1 ATOM 636 O O . ASP A 1 74 ? -24.172 17.720 -0.488 1.00 47.83 74 A 1 ATOM 637 C CB . ASP A 1 74 ? -25.919 15.565 1.149 1.00 52.53 74 A 1 ATOM 638 C CG . ASP A 1 74 ? -26.378 14.171 1.628 1.00 47.27 74 A 1 ATOM 639 O OD1 . ASP A 1 74 ? -26.940 13.392 0.817 1.00 44.85 74 A 1 ATOM 640 O OD2 . ASP A 1 74 ? -26.197 13.894 2.838 1.00 45.39 74 A 1 ATOM 641 O OXT . ASP A 1 74 ? -26.194 17.614 -1.399 1.00 43.63 74 A 1 #