# 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_aca3 # _entry.id aca3 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 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 LYS 2 1 n LYS 3 1 n PHE 4 1 n GLU 5 1 n ALA 6 1 n PRO 7 1 n GLU 8 1 n ILE 9 1 n GLY 10 1 n TYR 11 1 n THR 12 1 n PRO 13 1 n ALA 14 1 n ASN 15 1 n LEU 16 1 n LYS 17 1 n ALA 18 1 n LEU 19 1 n ARG 20 1 n LYS 21 1 n GLN 22 1 n PHE 23 1 n GLY 24 1 n LEU 25 1 n THR 26 1 n GLN 27 1 n ALA 28 1 n GLN 29 1 n VAL 30 1 n ALA 31 1 n GLU 32 1 n ILE 33 1 n THR 34 1 n GLY 35 1 n THR 36 1 n LYS 37 1 n THR 38 1 n GLY 39 1 n TYR 40 1 n SER 41 1 n VAL 42 1 n ARG 43 1 n ARG 44 1 n TRP 45 1 n GLU 46 1 n ALA 47 1 n ALA 48 1 n ILE 49 1 n ASP 50 1 n ALA 51 1 n LYS 52 1 n ASN 53 1 n ARG 54 1 n ALA 55 1 n ASP 56 1 n MET 57 1 n PRO 58 1 n LEU 59 1 n VAL 60 1 n LYS 61 1 n TRP 62 1 n GLN 63 1 n LYS 64 1 n LEU 65 1 n LEU 66 1 n ASP 67 1 n SER 68 1 n LEU 69 1 n LYS 70 # _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 19:32:10)" _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 89.83 _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 67.79 1 1 A LYS 2 2 68.42 1 2 A LYS 3 2 65.50 1 3 A PHE 4 2 64.74 1 4 A GLU 5 2 65.45 1 5 A ALA 6 2 74.58 1 6 A PRO 7 2 77.13 1 7 A GLU 8 2 72.30 1 8 A ILE 9 2 71.65 1 9 A GLY 10 2 88.63 1 10 A TYR 11 2 90.97 1 11 A THR 12 2 94.41 1 12 A PRO 13 2 96.61 1 13 A ALA 14 2 95.34 1 14 A ASN 15 2 91.78 1 15 A LEU 16 2 97.19 1 16 A LYS 17 2 92.94 1 17 A ALA 18 2 95.79 1 18 A LEU 19 2 92.27 1 19 A ARG 20 2 95.92 1 20 A LYS 21 2 93.08 1 21 A GLN 22 2 89.20 1 22 A PHE 23 2 94.46 1 23 A GLY 24 2 97.58 1 24 A LEU 25 2 97.34 1 25 A THR 26 2 97.26 1 26 A GLN 27 2 96.32 1 27 A ALA 28 2 97.51 1 28 A GLN 29 2 95.95 1 29 A VAL 30 2 98.09 1 30 A ALA 31 2 98.17 1 31 A GLU 32 2 90.28 1 32 A ILE 33 2 97.72 1 33 A THR 34 2 97.47 1 34 A GLY 35 2 96.88 1 35 A THR 36 2 92.27 1 36 A LYS 37 2 84.08 1 37 A THR 38 2 90.24 1 38 A GLY 39 2 95.56 1 39 A TYR 40 2 88.79 1 40 A SER 41 2 96.21 1 41 A VAL 42 2 97.94 1 42 A ARG 43 2 83.86 1 43 A ARG 44 2 92.64 1 44 A TRP 45 2 97.81 1 45 A GLU 46 2 97.33 1 46 A ALA 47 2 97.44 1 47 A ALA 48 2 95.70 1 48 A ILE 49 2 88.78 1 49 A ASP 50 2 93.05 1 50 A ALA 51 2 96.47 1 51 A LYS 52 2 86.42 1 52 A ASN 53 2 86.44 1 53 A ARG 54 2 85.96 1 54 A ALA 55 2 96.79 1 55 A ASP 56 2 92.76 1 56 A MET 57 2 96.31 1 57 A PRO 58 2 96.45 1 58 A LEU 59 2 93.06 1 59 A VAL 60 2 94.65 1 60 A LYS 61 2 94.97 1 61 A TRP 62 2 94.70 1 62 A GLN 63 2 86.50 1 63 A LYS 64 2 90.19 1 64 A LEU 65 2 96.41 1 65 A LEU 66 2 93.29 1 66 A ASP 67 2 92.18 1 67 A SER 68 2 94.52 1 68 A LEU 69 2 91.55 1 69 A LYS 70 2 81.92 1 70 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n LYS . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n GLU . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n PRO . 7 A 7 A 8 1 n GLU . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n TYR . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n PRO . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n ASN . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LYS . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ARG . 20 A 20 A 21 1 n LYS . 21 A 21 A 22 1 n GLN . 22 A 22 A 23 1 n PHE . 23 A 23 A 24 1 n GLY . 24 A 24 A 25 1 n LEU . 25 A 25 A 26 1 n THR . 26 A 26 A 27 1 n GLN . 27 A 27 A 28 1 n ALA . 28 A 28 A 29 1 n GLN . 29 A 29 A 30 1 n VAL . 30 A 30 A 31 1 n ALA . 31 A 31 A 32 1 n GLU . 32 A 32 A 33 1 n ILE . 33 A 33 A 34 1 n THR . 34 A 34 A 35 1 n GLY . 35 A 35 A 36 1 n THR . 36 A 36 A 37 1 n LYS . 37 A 37 A 38 1 n THR . 38 A 38 A 39 1 n GLY . 39 A 39 A 40 1 n TYR . 40 A 40 A 41 1 n SER . 41 A 41 A 42 1 n VAL . 42 A 42 A 43 1 n ARG . 43 A 43 A 44 1 n ARG . 44 A 44 A 45 1 n TRP . 45 A 45 A 46 1 n GLU . 46 A 46 A 47 1 n ALA . 47 A 47 A 48 1 n ALA . 48 A 48 A 49 1 n ILE . 49 A 49 A 50 1 n ASP . 50 A 50 A 51 1 n ALA . 51 A 51 A 52 1 n LYS . 52 A 52 A 53 1 n ASN . 53 A 53 A 54 1 n ARG . 54 A 54 A 55 1 n ALA . 55 A 55 A 56 1 n ASP . 56 A 56 A 57 1 n MET . 57 A 57 A 58 1 n PRO . 58 A 58 A 59 1 n LEU . 59 A 59 A 60 1 n VAL . 60 A 60 A 61 1 n LYS . 61 A 61 A 62 1 n TRP . 62 A 62 A 63 1 n GLN . 63 A 63 A 64 1 n LYS . 64 A 64 A 65 1 n LEU . 65 A 65 A 66 1 n LEU . 66 A 66 A 67 1 n ASP . 67 A 67 A 68 1 n SER . 68 A 68 A 69 1 n LEU . 69 A 69 A 70 1 n LYS . 70 A 70 # _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 ? -14.671 23.588 -12.640 1.00 65.11 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.910 22.470 -12.035 1.00 75.51 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.730 22.151 -12.944 1.00 76.71 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.958 21.920 -14.126 1.00 72.89 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.786 21.216 -11.886 1.00 71.18 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.732 21.301 -10.684 1.00 64.13 1 A 1 ATOM 7 S SD . MET A 1 1 ? -16.877 19.900 -10.619 1.00 61.74 1 A 1 ATOM 8 C CE . MET A 1 1 ? -17.595 20.132 -8.973 1.00 55.03 1 A 1 ATOM 9 N N . LYS A 1 2 ? -11.485 22.187 -12.430 1.00 73.06 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -10.315 21.714 -13.192 1.00 76.21 2 A 1 ATOM 11 C C . LYS A 1 2 ? -10.438 20.193 -13.340 1.00 76.26 2 A 1 ATOM 12 O O . LYS A 1 2 ? -10.536 19.496 -12.333 1.00 74.02 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -8.996 22.107 -12.499 1.00 73.85 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -8.660 23.603 -12.646 1.00 67.32 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -7.296 23.942 -12.015 1.00 64.36 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -6.934 25.414 -12.233 1.00 59.19 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -5.600 25.757 -11.669 1.00 51.47 2 A 1 ATOM 18 N N . LYS A 1 3 ? -10.500 19.683 -14.572 1.00 71.88 3 A 1 ATOM 19 C CA . LYS A 1 3 ? -10.427 18.242 -14.836 1.00 74.25 3 A 1 ATOM 20 C C . LYS A 1 3 ? -8.975 17.795 -14.628 1.00 73.89 3 A 1 ATOM 21 O O . LYS A 1 3 ? -8.072 18.458 -15.125 1.00 72.26 3 A 1 ATOM 22 C CB . LYS A 1 3 ? -10.919 17.919 -16.256 1.00 71.92 3 A 1 ATOM 23 C CG . LYS A 1 3 ? -12.450 18.026 -16.400 1.00 63.65 3 A 1 ATOM 24 C CD . LYS A 1 3 ? -12.889 17.639 -17.823 1.00 60.75 3 A 1 ATOM 25 C CE . LYS A 1 3 ? -14.412 17.666 -17.967 1.00 54.09 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? -14.839 17.311 -19.345 1.00 46.84 3 A 1 ATOM 27 N N . PHE A 1 4 ? -8.760 16.707 -13.902 1.00 70.14 4 A 1 ATOM 28 C CA . PHE A 1 4 ? -7.456 16.043 -13.879 1.00 71.15 4 A 1 ATOM 29 C C . PHE A 1 4 ? -7.197 15.459 -15.271 1.00 70.72 4 A 1 ATOM 30 O O . PHE A 1 4 ? -8.004 14.667 -15.756 1.00 67.50 4 A 1 ATOM 31 C CB . PHE A 1 4 ? -7.441 14.963 -12.787 1.00 69.50 4 A 1 ATOM 32 C CG . PHE A 1 4 ? -7.337 15.509 -11.376 1.00 65.54 4 A 1 ATOM 33 C CD1 . PHE A 1 4 ? -6.068 15.763 -10.823 1.00 61.81 4 A 1 ATOM 34 C CD2 . PHE A 1 4 ? -8.489 15.759 -10.610 1.00 61.90 4 A 1 ATOM 35 C CE1 . PHE A 1 4 ? -5.952 16.263 -9.514 1.00 58.06 4 A 1 ATOM 36 C CE2 . PHE A 1 4 ? -8.374 16.266 -9.300 1.00 58.60 4 A 1 ATOM 37 C CZ . PHE A 1 4 ? -7.104 16.516 -8.750 1.00 57.17 4 A 1 ATOM 38 N N . GLU A 1 5 ? -6.116 15.881 -15.931 1.00 71.68 5 A 1 ATOM 39 C CA . GLU A 1 5 ? -5.824 15.494 -17.324 1.00 74.09 5 A 1 ATOM 40 C C . GLU A 1 5 ? -5.262 14.069 -17.438 1.00 73.65 5 A 1 ATOM 41 O O . GLU A 1 5 ? -5.487 13.408 -18.448 1.00 71.40 5 A 1 ATOM 42 C CB . GLU A 1 5 ? -4.883 16.525 -17.966 1.00 72.15 5 A 1 ATOM 43 C CG . GLU A 1 5 ? -5.602 17.870 -18.205 1.00 62.68 5 A 1 ATOM 44 C CD . GLU A 1 5 ? -4.732 18.929 -18.902 1.00 57.20 5 A 1 ATOM 45 O OE1 . GLU A 1 5 ? -5.335 19.867 -19.470 1.00 52.42 5 A 1 ATOM 46 O OE2 . GLU A 1 5 ? -3.492 18.832 -18.795 1.00 53.82 5 A 1 ATOM 47 N N . ALA A 1 6 ? -4.606 13.552 -16.388 1.00 74.84 6 A 1 ATOM 48 C CA . ALA A 1 6 ? -4.141 12.166 -16.323 1.00 75.63 6 A 1 ATOM 49 C C . ALA A 1 6 ? -4.105 11.684 -14.861 1.00 76.95 6 A 1 ATOM 50 O O . ALA A 1 6 ? -3.330 12.218 -14.068 1.00 73.21 6 A 1 ATOM 51 C CB . ALA A 1 6 ? -2.756 12.080 -16.983 1.00 72.29 6 A 1 ATOM 52 N N . PRO A 1 7 ? -4.922 10.687 -14.468 1.00 77.34 7 A 1 ATOM 53 C CA . PRO A 1 7 ? -4.804 10.079 -13.152 1.00 77.83 7 A 1 ATOM 54 C C . PRO A 1 7 ? -3.517 9.249 -13.063 1.00 78.60 7 A 1 ATOM 55 O O . PRO A 1 7 ? -3.225 8.434 -13.940 1.00 75.80 7 A 1 ATOM 56 C CB . PRO A 1 7 ? -6.069 9.233 -12.984 1.00 76.11 7 A 1 ATOM 57 C CG . PRO A 1 7 ? -6.440 8.860 -14.419 1.00 75.33 7 A 1 ATOM 58 C CD . PRO A 1 7 ? -5.968 10.045 -15.247 1.00 78.93 7 A 1 ATOM 59 N N . GLU A 1 8 ? -2.766 9.411 -11.972 1.00 78.79 8 A 1 ATOM 60 C CA . GLU A 1 8 ? -1.620 8.553 -11.675 1.00 78.97 8 A 1 ATOM 61 C C . GLU A 1 8 ? -2.078 7.133 -11.316 1.00 79.52 8 A 1 ATOM 62 O O . GLU A 1 8 ? -3.115 6.923 -10.677 1.00 77.66 8 A 1 ATOM 63 C CB . GLU A 1 8 ? -0.778 9.144 -10.534 1.00 75.69 8 A 1 ATOM 64 C CG . GLU A 1 8 ? -0.110 10.477 -10.910 1.00 68.38 8 A 1 ATOM 65 C CD . GLU A 1 8 ? 0.782 11.039 -9.785 1.00 66.77 8 A 1 ATOM 66 O OE1 . GLU A 1 8 ? 1.484 12.037 -10.054 1.00 62.12 8 A 1 ATOM 67 O OE2 . GLU A 1 8 ? 0.749 10.485 -8.658 1.00 62.80 8 A 1 ATOM 68 N N . ILE A 1 9 ? -1.281 6.127 -11.687 1.00 78.04 9 A 1 ATOM 69 C CA . ILE A 1 9 ? -1.523 4.744 -11.266 1.00 78.19 9 A 1 ATOM 70 C C . ILE A 1 9 ? -1.185 4.630 -9.777 1.00 80.34 9 A 1 ATOM 71 O O . ILE A 1 9 ? -0.022 4.607 -9.371 1.00 76.53 9 A 1 ATOM 72 C CB . ILE A 1 9 ? -0.748 3.732 -12.140 1.00 73.59 9 A 1 ATOM 73 C CG1 . ILE A 1 9 ? -1.190 3.858 -13.618 1.00 65.17 9 A 1 ATOM 74 C CG2 . ILE A 1 9 ? -0.991 2.298 -11.622 1.00 63.25 9 A 1 ATOM 75 C CD1 . ILE A 1 9 ? -0.416 2.944 -14.582 1.00 58.10 9 A 1 ATOM 76 N N . GLY A 1 10 ? -2.217 4.542 -8.951 1.00 86.90 10 A 1 ATOM 77 C CA . GLY A 1 10 ? -2.090 4.407 -7.507 1.00 87.50 10 A 1 ATOM 78 C C . GLY A 1 10 ? -2.033 2.964 -7.010 1.00 90.57 10 A 1 ATOM 79 O O . GLY A 1 10 ? -2.162 1.985 -7.754 1.00 89.55 10 A 1 ATOM 80 N N . TYR A 1 11 ? -1.877 2.839 -5.697 1.00 89.26 11 A 1 ATOM 81 C CA . TYR A 1 11 ? -2.017 1.565 -5.008 1.00 92.36 11 A 1 ATOM 82 C C . TYR A 1 11 ? -3.432 0.990 -5.171 1.00 93.17 11 A 1 ATOM 83 O O . TYR A 1 11 ? -4.430 1.644 -4.880 1.00 91.84 11 A 1 ATOM 84 C CB . TYR A 1 11 ? -1.662 1.733 -3.527 1.00 92.20 11 A 1 ATOM 85 C CG . TYR A 1 11 ? -2.209 0.638 -2.636 1.00 93.04 11 A 1 ATOM 86 C CD1 . TYR A 1 11 ? -3.350 0.886 -1.845 1.00 89.58 11 A 1 ATOM 87 C CD2 . TYR A 1 11 ? -1.639 -0.651 -2.652 1.00 90.86 11 A 1 ATOM 88 C CE1 . TYR A 1 11 ? -3.909 -0.141 -1.073 1.00 88.70 11 A 1 ATOM 89 C CE2 . TYR A 1 11 ? -2.199 -1.681 -1.882 1.00 88.91 11 A 1 ATOM 90 C CZ . TYR A 1 11 ? -3.336 -1.427 -1.091 1.00 90.75 11 A 1 ATOM 91 O OH . TYR A 1 11 ? -3.883 -2.421 -0.337 1.00 90.93 11 A 1 ATOM 92 N N . THR A 1 12 ? -3.487 -0.278 -5.558 1.00 95.24 12 A 1 ATOM 93 C CA . THR A 1 12 ? -4.630 -1.180 -5.351 1.00 95.33 12 A 1 ATOM 94 C C . THR A 1 12 ? -4.088 -2.542 -4.904 1.00 96.08 12 A 1 ATOM 95 O O . THR A 1 12 ? -2.927 -2.858 -5.200 1.00 96.23 12 A 1 ATOM 96 C CB . THR A 1 12 ? -5.490 -1.357 -6.615 1.00 94.29 12 A 1 ATOM 97 O OG1 . THR A 1 12 ? -4.794 -2.081 -7.606 1.00 92.33 12 A 1 ATOM 98 C CG2 . THR A 1 12 ? -5.959 -0.045 -7.241 1.00 91.40 12 A 1 ATOM 99 N N . PRO A 1 13 ? -4.886 -3.401 -4.242 1.00 96.83 13 A 1 ATOM 100 C CA . PRO A 1 13 ? -4.461 -4.764 -3.922 1.00 96.96 13 A 1 ATOM 101 C C . PRO A 1 13 ? -3.931 -5.543 -5.136 1.00 97.21 13 A 1 ATOM 102 O O . PRO A 1 13 ? -2.916 -6.239 -5.049 1.00 96.95 13 A 1 ATOM 103 C CB . PRO A 1 13 ? -5.711 -5.430 -3.334 1.00 96.53 13 A 1 ATOM 104 C CG . PRO A 1 13 ? -6.480 -4.263 -2.717 1.00 95.26 13 A 1 ATOM 105 C CD . PRO A 1 13 ? -6.200 -3.117 -3.683 1.00 96.50 13 A 1 ATOM 106 N N . ALA A 1 14 ? -4.594 -5.387 -6.283 1.00 95.78 14 A 1 ATOM 107 C CA . ALA A 1 14 ? -4.201 -6.026 -7.535 1.00 95.30 14 A 1 ATOM 108 C C . ALA A 1 14 ? -2.866 -5.477 -8.071 1.00 95.79 14 A 1 ATOM 109 O O . ALA A 1 14 ? -1.983 -6.267 -8.413 1.00 95.44 14 A 1 ATOM 110 C CB . ALA A 1 14 ? -5.339 -5.858 -8.546 1.00 94.39 14 A 1 ATOM 111 N N . ASN A 1 15 ? -2.688 -4.147 -8.076 1.00 95.60 15 A 1 ATOM 112 C CA . ASN A 1 15 ? -1.462 -3.501 -8.540 1.00 95.25 15 A 1 ATOM 113 C C . ASN A 1 15 ? -0.263 -3.879 -7.666 1.00 96.02 15 A 1 ATOM 114 O O . ASN A 1 15 ? 0.783 -4.236 -8.196 1.00 95.81 15 A 1 ATOM 115 C CB . ASN A 1 15 ? -1.651 -1.972 -8.579 1.00 93.73 15 A 1 ATOM 116 C CG . ASN A 1 15 ? -2.576 -1.492 -9.685 1.00 89.43 15 A 1 ATOM 117 O OD1 . ASN A 1 15 ? -3.054 -2.254 -10.513 1.00 84.91 15 A 1 ATOM 118 N ND2 . ASN A 1 15 ? -2.858 -0.205 -9.725 1.00 83.48 15 A 1 ATOM 119 N N . LEU A 1 16 ? -0.418 -3.877 -6.339 1.00 96.49 16 A 1 ATOM 120 C CA . LEU A 1 16 ? 0.639 -4.306 -5.419 1.00 97.32 16 A 1 ATOM 121 C C . LEU A 1 16 ? 1.065 -5.753 -5.690 1.00 97.60 16 A 1 ATOM 122 O O . LEU A 1 16 ? 2.255 -6.047 -5.806 1.00 97.70 16 A 1 ATOM 123 C CB . LEU A 1 16 ? 0.145 -4.133 -3.970 1.00 97.63 16 A 1 ATOM 124 C CG . LEU A 1 16 ? 1.130 -4.659 -2.906 1.00 97.23 16 A 1 ATOM 125 C CD1 . LEU A 1 16 ? 2.483 -3.953 -2.952 1.00 96.72 16 A 1 ATOM 126 C CD2 . LEU A 1 16 ? 0.538 -4.475 -1.512 1.00 96.83 16 A 1 ATOM 127 N N . LYS A 1 17 ? 0.095 -6.656 -5.828 1.00 97.01 17 A 1 ATOM 128 C CA . LYS A 1 17 ? 0.367 -8.070 -6.118 1.00 97.08 17 A 1 ATOM 129 C C . LYS A 1 17 ? 1.027 -8.269 -7.482 1.00 97.15 17 A 1 ATOM 130 O O . LYS A 1 17 ? 1.938 -9.091 -7.595 1.00 96.76 17 A 1 ATOM 131 C CB . LYS A 1 17 ? -0.951 -8.839 -6.000 1.00 96.68 17 A 1 ATOM 132 C CG . LYS A 1 17 ? -0.772 -10.352 -6.133 1.00 93.97 17 A 1 ATOM 133 C CD . LYS A 1 17 ? -2.116 -11.023 -5.849 1.00 92.39 17 A 1 ATOM 134 C CE . LYS A 1 17 ? -2.010 -12.544 -5.856 1.00 86.28 17 A 1 ATOM 135 N NZ . LYS A 1 17 ? -3.311 -13.144 -5.471 1.00 79.15 17 A 1 ATOM 136 N N . ALA A 1 18 ? 0.571 -7.553 -8.496 1.00 96.29 18 A 1 ATOM 137 C CA . ALA A 1 18 ? 1.144 -7.603 -9.838 1.00 95.73 18 A 1 ATOM 138 C C . ALA A 1 18 ? 2.596 -7.102 -9.840 1.00 96.13 18 A 1 ATOM 139 O O . ALA A 1 18 ? 3.481 -7.831 -10.284 1.00 95.81 18 A 1 ATOM 140 C CB . ALA A 1 18 ? 0.256 -6.799 -10.791 1.00 95.01 18 A 1 ATOM 141 N N . LEU A 1 19 ? 2.842 -5.929 -9.246 1.00 95.27 19 A 1 ATOM 142 C CA . LEU A 1 19 ? 4.170 -5.334 -9.108 1.00 95.28 19 A 1 ATOM 143 C C . LEU A 1 19 ? 5.128 -6.285 -8.381 1.00 96.24 19 A 1 ATOM 144 O O . LEU A 1 19 ? 6.179 -6.637 -8.907 1.00 96.18 19 A 1 ATOM 145 C CB . LEU A 1 19 ? 4.012 -4.001 -8.356 1.00 94.34 19 A 1 ATOM 146 C CG . LEU A 1 19 ? 5.299 -3.160 -8.311 1.00 90.07 19 A 1 ATOM 147 C CD1 . LEU A 1 19 ? 5.581 -2.511 -9.663 1.00 85.64 19 A 1 ATOM 148 C CD2 . LEU A 1 19 ? 5.148 -2.059 -7.264 1.00 85.15 19 A 1 ATOM 149 N N . ARG A 1 20 ? 4.731 -6.780 -7.208 1.00 96.37 20 A 1 ATOM 150 C CA . ARG A 1 20 ? 5.542 -7.726 -6.441 1.00 96.97 20 A 1 ATOM 151 C C . ARG A 1 20 ? 5.931 -8.960 -7.256 1.00 97.34 20 A 1 ATOM 152 O O . ARG A 1 20 ? 7.085 -9.375 -7.224 1.00 97.34 20 A 1 ATOM 153 C CB . ARG A 1 20 ? 4.777 -8.129 -5.171 1.00 97.10 20 A 1 ATOM 154 C CG . ARG A 1 20 ? 5.628 -9.071 -4.315 1.00 96.59 20 A 1 ATOM 155 C CD . ARG A 1 20 ? 4.924 -9.522 -3.045 1.00 96.52 20 A 1 ATOM 156 N NE . ARG A 1 20 ? 3.657 -10.229 -3.289 1.00 95.26 20 A 1 ATOM 157 C CZ . ARG A 1 20 ? 3.469 -11.439 -3.768 1.00 96.93 20 A 1 ATOM 158 N NH1 . ARG A 1 20 ? 4.443 -12.221 -4.139 1.00 91.75 20 A 1 ATOM 159 N NH2 . ARG A 1 20 ? 2.249 -11.875 -3.869 1.00 92.90 20 A 1 ATOM 160 N N . LYS A 1 21 ? 4.974 -9.547 -7.986 1.00 96.93 21 A 1 ATOM 161 C CA . LYS A 1 21 ? 5.230 -10.721 -8.834 1.00 96.79 21 A 1 ATOM 162 C C . LYS A 1 21 ? 6.148 -10.400 -10.011 1.00 96.96 21 A 1 ATOM 163 O O . LYS A 1 21 ? 7.027 -11.198 -10.297 1.00 96.46 21 A 1 ATOM 164 C CB . LYS A 1 21 ? 3.913 -11.297 -9.349 1.00 96.88 21 A 1 ATOM 165 C CG . LYS A 1 21 ? 3.161 -12.089 -8.279 1.00 95.52 21 A 1 ATOM 166 C CD . LYS A 1 21 ? 1.894 -12.661 -8.919 1.00 91.82 21 A 1 ATOM 167 C CE . LYS A 1 21 ? 1.185 -13.625 -7.974 1.00 87.63 21 A 1 ATOM 168 N NZ . LYS A 1 21 ? 0.198 -14.439 -8.733 1.00 78.75 21 A 1 ATOM 169 N N . GLN A 1 22 ? 5.952 -9.253 -10.654 1.00 96.78 22 A 1 ATOM 170 C CA . GLN A 1 22 ? 6.769 -8.819 -11.787 1.00 96.31 22 A 1 ATOM 171 C C . GLN A 1 22 ? 8.250 -8.689 -11.408 1.00 96.71 22 A 1 ATOM 172 O O . GLN A 1 22 ? 9.116 -9.076 -12.189 1.00 96.20 22 A 1 ATOM 173 C CB . GLN A 1 22 ? 6.197 -7.493 -12.306 1.00 95.35 22 A 1 ATOM 174 C CG . GLN A 1 22 ? 6.986 -6.923 -13.496 1.00 88.46 22 A 1 ATOM 175 C CD . GLN A 1 22 ? 6.372 -5.637 -14.040 1.00 82.89 22 A 1 ATOM 176 O OE1 . GLN A 1 22 ? 5.199 -5.343 -13.866 1.00 77.56 22 A 1 ATOM 177 N NE2 . GLN A 1 22 ? 7.136 -4.827 -14.729 1.00 72.55 22 A 1 ATOM 178 N N . PHE A 1 23 ? 8.536 -8.204 -10.201 1.00 96.78 23 A 1 ATOM 179 C CA . PHE A 1 23 ? 9.896 -8.066 -9.672 1.00 96.70 23 A 1 ATOM 180 C C . PHE A 1 23 ? 10.378 -9.301 -8.887 1.00 97.33 23 A 1 ATOM 181 O O . PHE A 1 23 ? 11.421 -9.256 -8.239 1.00 96.98 23 A 1 ATOM 182 C CB . PHE A 1 23 ? 9.976 -6.757 -8.879 1.00 96.33 23 A 1 ATOM 183 C CG . PHE A 1 23 ? 9.986 -5.519 -9.763 1.00 95.39 23 A 1 ATOM 184 C CD1 . PHE A 1 23 ? 11.212 -4.949 -10.157 1.00 92.23 23 A 1 ATOM 185 C CD2 . PHE A 1 23 ? 8.786 -4.934 -10.203 1.00 92.93 23 A 1 ATOM 186 C CE1 . PHE A 1 23 ? 11.231 -3.797 -10.963 1.00 91.27 23 A 1 ATOM 187 C CE2 . PHE A 1 23 ? 8.804 -3.785 -11.018 1.00 91.59 23 A 1 ATOM 188 C CZ . PHE A 1 23 ? 10.027 -3.213 -11.390 1.00 91.49 23 A 1 ATOM 189 N N . GLY A 1 24 ? 9.635 -10.410 -8.894 1.00 97.45 24 A 1 ATOM 190 C CA . GLY A 1 24 ? 10.022 -11.648 -8.202 1.00 97.67 24 A 1 ATOM 191 C C . GLY A 1 24 ? 10.107 -11.529 -6.676 1.00 97.97 24 A 1 ATOM 192 O O . GLY A 1 24 ? 10.753 -12.351 -6.026 1.00 97.21 24 A 1 ATOM 193 N N . LEU A 1 25 ? 9.462 -10.518 -6.081 1.00 97.85 25 A 1 ATOM 194 C CA . LEU A 1 25 ? 9.524 -10.264 -4.643 1.00 97.91 25 A 1 ATOM 195 C C . LEU A 1 25 ? 8.532 -11.137 -3.866 1.00 98.07 25 A 1 ATOM 196 O O . LEU A 1 25 ? 7.383 -11.358 -4.260 1.00 97.87 25 A 1 ATOM 197 C CB . LEU A 1 25 ? 9.279 -8.773 -4.348 1.00 97.79 25 A 1 ATOM 198 C CG . LEU A 1 25 ? 10.291 -7.797 -4.979 1.00 97.03 25 A 1 ATOM 199 C CD1 . LEU A 1 25 ? 9.855 -6.367 -4.666 1.00 96.15 25 A 1 ATOM 200 C CD2 . LEU A 1 25 ? 11.707 -8.005 -4.447 1.00 96.04 25 A 1 ATOM 201 N N . THR A 1 26 ? 8.953 -11.577 -2.685 1.00 97.62 26 A 1 ATOM 202 C CA . THR A 1 26 ? 8.067 -12.164 -1.671 1.00 97.63 26 A 1 ATOM 203 C C . THR A 1 26 ? 7.344 -11.069 -0.874 1.00 97.83 26 A 1 ATOM 204 O O . THR A 1 26 ? 7.766 -9.915 -0.822 1.00 97.85 26 A 1 ATOM 205 C CB . THR A 1 26 ? 8.835 -13.090 -0.716 1.00 97.48 26 A 1 ATOM 206 O OG1 . THR A 1 26 ? 9.749 -12.346 0.041 1.00 96.58 26 A 1 ATOM 207 C CG2 . THR A 1 26 ? 9.594 -14.204 -1.440 1.00 95.82 26 A 1 ATOM 208 N N . GLN A 1 27 ? 6.260 -11.431 -0.182 1.00 97.61 27 A 1 ATOM 209 C CA . GLN A 1 27 ? 5.579 -10.496 0.733 1.00 97.71 27 A 1 ATOM 210 C C . GLN A 1 27 ? 6.489 -10.033 1.883 1.00 97.91 27 A 1 ATOM 211 O O . GLN A 1 27 ? 6.351 -8.912 2.359 1.00 97.80 27 A 1 ATOM 212 C CB . GLN A 1 27 ? 4.313 -11.159 1.298 1.00 97.42 27 A 1 ATOM 213 C CG . GLN A 1 27 ? 3.236 -11.333 0.220 1.00 96.79 27 A 1 ATOM 214 C CD . GLN A 1 27 ? 2.000 -12.076 0.697 1.00 96.20 27 A 1 ATOM 215 O OE1 . GLN A 1 27 ? 2.000 -12.853 1.641 1.00 93.29 27 A 1 ATOM 216 N NE2 . GLN A 1 27 ? 0.885 -11.901 0.020 1.00 92.15 27 A 1 ATOM 217 N N . ALA A 1 28 ? 7.428 -10.886 2.315 1.00 97.58 28 A 1 ATOM 218 C CA . ALA A 1 28 ? 8.414 -10.531 3.332 1.00 97.53 28 A 1 ATOM 219 C C . ALA A 1 28 ? 9.395 -9.460 2.823 1.00 97.79 28 A 1 ATOM 220 O O . ALA A 1 28 ? 9.613 -8.472 3.516 1.00 97.56 28 A 1 ATOM 221 C CB . ALA A 1 28 ? 9.139 -11.801 3.786 1.00 97.08 28 A 1 ATOM 222 N N . GLN A 1 29 ? 9.897 -9.594 1.588 1.00 97.64 29 A 1 ATOM 223 C CA . GLN A 1 29 ? 10.779 -8.591 0.976 1.00 97.65 29 A 1 ATOM 224 C C . GLN A 1 29 ? 10.062 -7.250 0.771 1.00 97.92 29 A 1 ATOM 225 O O . GLN A 1 29 ? 10.616 -6.205 1.089 1.00 97.93 29 A 1 ATOM 226 C CB . GLN A 1 29 ? 11.302 -9.124 -0.361 1.00 97.63 29 A 1 ATOM 227 C CG . GLN A 1 29 ? 12.376 -10.204 -0.175 1.00 96.68 29 A 1 ATOM 228 C CD . GLN A 1 29 ? 12.593 -10.999 -1.451 1.00 95.78 29 A 1 ATOM 229 O OE1 . GLN A 1 29 ? 11.654 -11.533 -2.018 1.00 92.05 29 A 1 ATOM 230 N NE2 . GLN A 1 29 ? 13.806 -11.137 -1.922 1.00 90.28 29 A 1 ATOM 231 N N . VAL A 1 30 ? 8.801 -7.258 0.333 1.00 97.99 30 A 1 ATOM 232 C CA . VAL A 1 30 ? 8.012 -6.011 0.262 1.00 98.19 30 A 1 ATOM 233 C C . VAL A 1 30 ? 7.843 -5.379 1.647 1.00 98.38 30 A 1 ATOM 234 O O . VAL A 1 30 ? 7.907 -4.160 1.778 1.00 98.38 30 A 1 ATOM 235 C CB . VAL A 1 30 ? 6.638 -6.255 -0.386 1.00 98.15 30 A 1 ATOM 236 C CG1 . VAL A 1 30 ? 5.739 -5.010 -0.354 1.00 97.77 30 A 1 ATOM 237 C CG2 . VAL A 1 30 ? 6.796 -6.669 -1.853 1.00 97.77 30 A 1 ATOM 238 N N . ALA A 1 31 ? 7.638 -6.185 2.691 1.00 98.30 31 A 1 ATOM 239 C CA . ALA A 1 31 ? 7.559 -5.668 4.056 1.00 98.22 31 A 1 ATOM 240 C C . ALA A 1 31 ? 8.871 -5.003 4.492 1.00 98.23 31 A 1 ATOM 241 O O . ALA A 1 31 ? 8.838 -3.909 5.058 1.00 98.10 31 A 1 ATOM 242 C CB . ALA A 1 31 ? 7.158 -6.798 5.015 1.00 97.99 31 A 1 ATOM 243 N N . GLU A 1 32 ? 10.007 -5.613 4.192 1.00 98.04 32 A 1 ATOM 244 C CA . GLU A 1 32 ? 11.341 -5.076 4.468 1.00 97.78 32 A 1 ATOM 245 C C . GLU A 1 32 ? 11.582 -3.755 3.727 1.00 97.86 32 A 1 ATOM 246 O O . GLU A 1 32 ? 11.831 -2.730 4.369 1.00 97.31 32 A 1 ATOM 247 C CB . GLU A 1 32 ? 12.366 -6.154 4.099 1.00 97.20 32 A 1 ATOM 248 C CG . GLU A 1 32 ? 13.798 -5.749 4.462 1.00 87.36 32 A 1 ATOM 249 C CD . GLU A 1 32 ? 14.812 -6.869 4.159 1.00 84.08 32 A 1 ATOM 250 O OE1 . GLU A 1 32 ? 15.990 -6.675 4.525 1.00 75.83 32 A 1 ATOM 251 O OE2 . GLU A 1 32 ? 14.400 -7.914 3.589 1.00 77.08 32 A 1 ATOM 252 N N . ILE A 1 33 ? 11.381 -3.741 2.408 1.00 98.04 33 A 1 ATOM 253 C CA . ILE A 1 33 ? 11.532 -2.539 1.565 1.00 98.01 33 A 1 ATOM 254 C C . ILE A 1 33 ? 10.691 -1.384 2.116 1.00 98.02 33 A 1 ATOM 255 O O . ILE A 1 33 ? 11.158 -0.251 2.248 1.00 97.64 33 A 1 ATOM 256 C CB . ILE A 1 33 ? 11.130 -2.873 0.107 1.00 98.04 33 A 1 ATOM 257 C CG1 . ILE A 1 33 ? 12.177 -3.805 -0.543 1.00 97.72 33 A 1 ATOM 258 C CG2 . ILE A 1 33 ? 10.963 -1.598 -0.739 1.00 97.41 33 A 1 ATOM 259 C CD1 . ILE A 1 33 ? 11.681 -4.486 -1.829 1.00 96.86 33 A 1 ATOM 260 N N . THR A 1 34 ? 9.440 -1.664 2.477 1.00 98.12 34 A 1 ATOM 261 C CA . THR A 1 34 ? 8.498 -0.641 2.962 1.00 97.99 34 A 1 ATOM 262 C C . THR A 1 34 ? 8.658 -0.295 4.447 1.00 97.87 34 A 1 ATOM 263 O O . THR A 1 34 ? 7.914 0.552 4.954 1.00 97.32 34 A 1 ATOM 264 C CB . THR A 1 34 ? 7.052 -1.019 2.635 1.00 97.84 34 A 1 ATOM 265 O OG1 . THR A 1 34 ? 6.673 -2.220 3.252 1.00 96.79 34 A 1 ATOM 266 C CG2 . THR A 1 34 ? 6.825 -1.160 1.125 1.00 96.38 34 A 1 ATOM 267 N N . GLY A 1 35 ? 9.599 -0.915 5.164 1.00 97.69 35 A 1 ATOM 268 C CA . GLY A 1 35 ? 9.778 -0.745 6.609 1.00 97.22 35 A 1 ATOM 269 C C . GLY A 1 35 ? 8.545 -1.187 7.399 1.00 97.18 35 A 1 ATOM 270 O O . GLY A 1 35 ? 8.048 -0.470 8.271 1.00 95.42 35 A 1 ATOM 271 N N . THR A 1 36 ? 7.964 -2.330 7.013 1.00 96.69 36 A 1 ATOM 272 C CA . THR A 1 36 ? 6.789 -2.926 7.657 1.00 96.26 36 A 1 ATOM 273 C C . THR A 1 36 ? 7.226 -4.132 8.474 1.00 96.23 36 A 1 ATOM 274 O O . THR A 1 36 ? 8.013 -4.938 8.007 1.00 93.39 36 A 1 ATOM 275 C CB . THR A 1 36 ? 5.738 -3.322 6.616 1.00 93.95 36 A 1 ATOM 276 O OG1 . THR A 1 36 ? 5.384 -2.179 5.866 1.00 85.10 36 A 1 ATOM 277 C CG2 . THR A 1 36 ? 4.448 -3.827 7.248 1.00 84.26 36 A 1 ATOM 278 N N . LYS A 1 37 ? 6.683 -4.287 9.682 1.00 94.61 37 A 1 ATOM 279 C CA . LYS A 1 37 ? 7.142 -5.309 10.639 1.00 92.59 37 A 1 ATOM 280 C C . LYS A 1 37 ? 7.116 -6.744 10.093 1.00 92.31 37 A 1 ATOM 281 O O . LYS A 1 37 ? 7.990 -7.533 10.434 1.00 88.77 37 A 1 ATOM 282 C CB . LYS A 1 37 ? 6.317 -5.175 11.934 1.00 90.24 37 A 1 ATOM 283 C CG . LYS A 1 37 ? 6.865 -6.039 13.080 1.00 82.34 37 A 1 ATOM 284 C CD . LYS A 1 37 ? 6.100 -5.786 14.388 1.00 78.28 37 A 1 ATOM 285 C CE . LYS A 1 37 ? 6.700 -6.643 15.511 1.00 72.85 37 A 1 ATOM 286 N NZ . LYS A 1 37 ? 6.064 -6.379 16.831 1.00 64.74 37 A 1 ATOM 287 N N . THR A 1 38 ? 6.103 -7.104 9.293 1.00 92.73 38 A 1 ATOM 288 C CA . THR A 1 38 ? 5.962 -8.475 8.776 1.00 92.32 38 A 1 ATOM 289 C C . THR A 1 38 ? 5.282 -8.519 7.405 1.00 93.39 38 A 1 ATOM 290 O O . THR A 1 38 ? 4.440 -7.675 7.083 1.00 91.99 38 A 1 ATOM 291 C CB . THR A 1 38 ? 5.162 -9.380 9.739 1.00 89.75 38 A 1 ATOM 292 O OG1 . THR A 1 38 ? 3.807 -9.003 9.783 1.00 86.40 38 A 1 ATOM 293 C CG2 . THR A 1 38 ? 5.673 -9.400 11.179 1.00 85.09 38 A 1 ATOM 294 N N . GLY A 1 39 ? 5.539 -9.584 6.640 1.00 94.84 39 A 1 ATOM 295 C CA . GLY A 1 39 ? 4.822 -9.882 5.392 1.00 95.23 39 A 1 ATOM 296 C C . GLY A 1 39 ? 3.314 -10.114 5.568 1.00 96.40 39 A 1 ATOM 297 O O . GLY A 1 39 ? 2.562 -10.051 4.601 1.00 95.78 39 A 1 ATOM 298 N N . TYR A 1 40 ? 2.842 -10.306 6.801 1.00 96.37 40 A 1 ATOM 299 C CA . TYR A 1 40 ? 1.408 -10.400 7.093 1.00 96.46 40 A 1 ATOM 300 C C . TYR A 1 40 ? 0.661 -9.106 6.746 1.00 97.00 40 A 1 ATOM 301 O O . TYR A 1 40 ? -0.430 -9.164 6.182 1.00 96.50 40 A 1 ATOM 302 C CB . TYR A 1 40 ? 1.198 -10.769 8.566 1.00 95.52 40 A 1 ATOM 303 C CG . TYR A 1 40 ? -0.263 -10.941 8.933 1.00 90.84 40 A 1 ATOM 304 C CD1 . TYR A 1 40 ? -0.945 -9.933 9.649 1.00 85.59 40 A 1 ATOM 305 C CD2 . TYR A 1 40 ? -0.954 -12.102 8.533 1.00 85.08 40 A 1 ATOM 306 C CE1 . TYR A 1 40 ? -2.308 -10.091 9.968 1.00 80.99 40 A 1 ATOM 307 C CE2 . TYR A 1 40 ? -2.317 -12.260 8.847 1.00 81.12 40 A 1 ATOM 308 C CZ . TYR A 1 40 ? -2.993 -11.254 9.565 1.00 80.82 40 A 1 ATOM 309 O OH . TYR A 1 40 ? -4.312 -11.406 9.870 1.00 79.24 40 A 1 ATOM 310 N N . SER A 1 41 ? 1.266 -7.942 7.005 1.00 97.55 41 A 1 ATOM 311 C CA . SER A 1 41 ? 0.686 -6.658 6.595 1.00 97.53 41 A 1 ATOM 312 C C . SER A 1 41 ? 0.561 -6.569 5.073 1.00 98.06 41 A 1 ATOM 313 O O . SER A 1 41 ? -0.494 -6.186 4.580 1.00 97.74 41 A 1 ATOM 314 C CB . SER A 1 41 ? 1.527 -5.492 7.106 1.00 96.53 41 A 1 ATOM 315 O OG . SER A 1 41 ? 1.606 -5.521 8.519 1.00 89.85 41 A 1 ATOM 316 N N . VAL A 1 42 ? 1.583 -7.003 4.335 1.00 97.88 42 A 1 ATOM 317 C CA . VAL A 1 42 ? 1.554 -7.033 2.861 1.00 98.16 42 A 1 ATOM 318 C C . VAL A 1 42 ? 0.468 -7.976 2.348 1.00 98.31 42 A 1 ATOM 319 O O . VAL A 1 42 ? -0.282 -7.613 1.448 1.00 98.21 42 A 1 ATOM 320 C CB . VAL A 1 42 ? 2.923 -7.420 2.287 1.00 98.09 42 A 1 ATOM 321 C CG1 . VAL A 1 42 ? 2.917 -7.385 0.756 1.00 97.52 42 A 1 ATOM 322 C CG2 . VAL A 1 42 ? 4.007 -6.464 2.787 1.00 97.42 42 A 1 ATOM 323 N N . ARG A 1 43 ? 0.295 -9.136 2.970 1.00 98.15 43 A 1 ATOM 324 C CA . ARG A 1 43 ? -0.812 -10.055 2.654 1.00 98.05 43 A 1 ATOM 325 C C . ARG A 1 43 ? -2.180 -9.384 2.802 1.00 98.22 43 A 1 ATOM 326 O O . ARG A 1 43 ? -3.051 -9.601 1.967 1.00 97.72 43 A 1 ATOM 327 C CB . ARG A 1 43 ? -0.712 -11.301 3.537 1.00 97.18 43 A 1 ATOM 328 C CG . ARG A 1 43 ? -1.748 -12.371 3.143 1.00 87.50 43 A 1 ATOM 329 C CD . ARG A 1 43 ? -1.690 -13.592 4.067 1.00 86.43 43 A 1 ATOM 330 N NE . ARG A 1 43 ? -0.390 -14.287 3.984 1.00 75.13 43 A 1 ATOM 331 C CZ . ARG A 1 43 ? -0.020 -15.341 4.688 1.00 67.06 43 A 1 ATOM 332 N NH1 . ARG A 1 43 ? -0.811 -15.901 5.563 1.00 61.01 43 A 1 ATOM 333 N NH2 . ARG A 1 43 ? 1.166 -15.858 4.523 1.00 56.00 43 A 1 ATOM 334 N N . ARG A 1 44 ? -2.357 -8.578 3.857 1.00 98.19 44 A 1 ATOM 335 C CA . ARG A 1 44 ? -3.602 -7.821 4.080 1.00 98.24 44 A 1 ATOM 336 C C . ARG A 1 44 ? -3.806 -6.721 3.040 1.00 98.39 44 A 1 ATOM 337 O O . ARG A 1 44 ? -4.944 -6.479 2.651 1.00 98.15 44 A 1 ATOM 338 C CB . ARG A 1 44 ? -3.615 -7.222 5.489 1.00 97.97 44 A 1 ATOM 339 C CG . ARG A 1 44 ? -3.695 -8.286 6.590 1.00 96.79 44 A 1 ATOM 340 C CD . ARG A 1 44 ? -3.673 -7.637 7.981 1.00 94.96 44 A 1 ATOM 341 N NE . ARG A 1 44 ? -4.899 -6.843 8.226 1.00 89.85 44 A 1 ATOM 342 C CZ . ARG A 1 44 ? -5.091 -5.945 9.169 1.00 86.16 44 A 1 ATOM 343 N NH1 . ARG A 1 44 ? -4.176 -5.649 10.050 1.00 81.56 44 A 1 ATOM 344 N NH2 . ARG A 1 44 ? -6.232 -5.322 9.242 1.00 78.77 44 A 1 ATOM 345 N N . TRP A 1 45 ? -2.730 -6.076 2.588 1.00 98.28 45 A 1 ATOM 346 C CA . TRP A 1 45 ? -2.786 -5.082 1.511 1.00 98.31 45 A 1 ATOM 347 C C . TRP A 1 45 ? -3.112 -5.700 0.143 1.00 98.28 45 A 1 ATOM 348 O O . TRP A 1 45 ? -3.747 -5.060 -0.686 1.00 98.06 45 A 1 ATOM 349 C CB . TRP A 1 45 ? -1.453 -4.334 1.441 1.00 98.29 45 A 1 ATOM 350 C CG . TRP A 1 45 ? -1.003 -3.622 2.678 1.00 98.28 45 A 1 ATOM 351 C CD1 . TRP A 1 45 ? -1.791 -3.178 3.689 1.00 97.90 45 A 1 ATOM 352 C CD2 . TRP A 1 45 ? 0.357 -3.240 3.043 1.00 98.17 45 A 1 ATOM 353 N NE1 . TRP A 1 45 ? -1.017 -2.560 4.653 1.00 97.53 45 A 1 ATOM 354 C CE2 . TRP A 1 45 ? 0.318 -2.561 4.301 1.00 97.77 45 A 1 ATOM 355 C CE3 . TRP A 1 45 ? 1.622 -3.386 2.431 1.00 97.57 45 A 1 ATOM 356 C CZ2 . TRP A 1 45 ? 1.470 -2.053 4.919 1.00 96.97 45 A 1 ATOM 357 C CZ3 . TRP A 1 45 ? 2.778 -2.881 3.041 1.00 97.18 45 A 1 ATOM 358 C CH2 . TRP A 1 45 ? 2.707 -2.216 4.282 1.00 96.79 45 A 1 ATOM 359 N N . GLU A 1 46 ? -2.711 -6.950 -0.096 1.00 98.22 46 A 1 ATOM 360 C CA . GLU A 1 46 ? -3.046 -7.698 -1.322 1.00 98.21 46 A 1 ATOM 361 C C . GLU A 1 46 ? -4.419 -8.400 -1.272 1.00 98.12 46 A 1 ATOM 362 O O . GLU A 1 46 ? -4.823 -9.029 -2.256 1.00 97.69 46 A 1 ATOM 363 C CB . GLU A 1 46 ? -1.956 -8.747 -1.603 1.00 98.13 46 A 1 ATOM 364 C CG . GLU A 1 46 ? -0.603 -8.146 -1.995 1.00 97.58 46 A 1 ATOM 365 C CD . GLU A 1 46 ? 0.448 -9.219 -2.331 1.00 97.49 46 A 1 ATOM 366 O OE1 . GLU A 1 46 ? 1.542 -8.850 -2.806 1.00 94.82 46 A 1 ATOM 367 O OE2 . GLU A 1 46 ? 0.232 -10.447 -2.162 1.00 95.71 46 A 1 ATOM 368 N N . ALA A 1 47 ? -5.100 -8.365 -0.130 1.00 97.84 47 A 1 ATOM 369 C CA . ALA A 1 47 ? -6.381 -9.044 0.049 1.00 97.65 47 A 1 ATOM 370 C C . ALA A 1 47 ? -7.499 -8.361 -0.756 1.00 97.45 47 A 1 ATOM 371 O O . ALA A 1 47 ? -7.516 -7.142 -0.919 1.00 96.80 47 A 1 ATOM 372 C CB . ALA A 1 47 ? -6.716 -9.116 1.544 1.00 97.45 47 A 1 ATOM 373 N N . ALA A 1 48 ? -8.463 -9.159 -1.223 1.00 96.76 48 A 1 ATOM 374 C CA . ALA A 1 48 ? -9.646 -8.654 -1.922 1.00 96.00 48 A 1 ATOM 375 C C . ALA A 1 48 ? -10.432 -7.660 -1.050 1.00 96.14 48 A 1 ATOM 376 O O . ALA A 1 48 ? -10.368 -7.704 0.181 1.00 94.97 48 A 1 ATOM 377 C CB . ALA A 1 48 ? -10.510 -9.848 -2.354 1.00 94.62 48 A 1 ATOM 378 N N . ILE A 1 49 ? -11.164 -6.748 -1.693 1.00 95.60 49 A 1 ATOM 379 C CA . ILE A 1 49 ? -11.831 -5.626 -1.005 1.00 94.71 49 A 1 ATOM 380 C C . ILE A 1 49 ? -12.915 -6.067 -0.009 1.00 95.43 49 A 1 ATOM 381 O O . ILE A 1 49 ? -13.190 -5.364 0.965 1.00 94.40 49 A 1 ATOM 382 C CB . ILE A 1 49 ? -12.363 -4.630 -2.058 1.00 92.32 49 A 1 ATOM 383 C CG1 . ILE A 1 49 ? -12.656 -3.263 -1.408 1.00 83.24 49 A 1 ATOM 384 C CG2 . ILE A 1 49 ? -13.594 -5.178 -2.811 1.00 80.95 49 A 1 ATOM 385 C CD1 . ILE A 1 49 ? -12.775 -2.123 -2.423 1.00 73.61 49 A 1 ATOM 386 N N . ASP A 1 50 ? -13.486 -7.239 -0.229 1.00 96.28 50 A 1 ATOM 387 C CA . ASP A 1 50 ? -14.498 -7.898 0.606 1.00 96.08 50 A 1 ATOM 388 C C . ASP A 1 50 ? -13.893 -8.807 1.695 1.00 96.75 50 A 1 ATOM 389 O O . ASP A 1 50 ? -14.604 -9.308 2.566 1.00 95.88 50 A 1 ATOM 390 C CB . ASP A 1 50 ? -15.440 -8.687 -0.323 1.00 95.09 50 A 1 ATOM 391 C CG . ASP A 1 50 ? -14.750 -9.811 -1.109 1.00 91.62 50 A 1 ATOM 392 O OD1 . ASP A 1 50 ? -13.508 -9.743 -1.292 1.00 86.46 50 A 1 ATOM 393 O OD2 . ASP A 1 50 ? -15.467 -10.729 -1.550 1.00 86.23 50 A 1 ATOM 394 N N . ALA A 1 51 ? -12.569 -9.006 1.696 1.00 96.79 51 A 1 ATOM 395 C CA . ALA A 1 51 ? -11.914 -9.856 2.680 1.00 96.73 51 A 1 ATOM 396 C C . ALA A 1 51 ? -11.906 -9.204 4.075 1.00 96.82 51 A 1 ATOM 397 O O . ALA A 1 51 ? -11.379 -8.109 4.272 1.00 95.80 51 A 1 ATOM 398 C CB . ALA A 1 51 ? -10.500 -10.205 2.199 1.00 96.19 51 A 1 ATOM 399 N N . LYS A 1 52 ? -12.364 -9.945 5.090 1.00 96.71 52 A 1 ATOM 400 C CA . LYS A 1 52 ? -12.413 -9.479 6.496 1.00 95.67 52 A 1 ATOM 401 C C . LYS A 1 52 ? -11.064 -8.990 7.036 1.00 94.69 52 A 1 ATOM 402 O O . LYS A 1 52 ? -11.012 -8.086 7.867 1.00 90.20 52 A 1 ATOM 403 C CB . LYS A 1 52 ? -12.938 -10.602 7.408 1.00 94.86 52 A 1 ATOM 404 C CG . LYS A 1 52 ? -14.411 -10.941 7.146 1.00 86.73 52 A 1 ATOM 405 C CD . LYS A 1 52 ? -14.923 -11.982 8.153 1.00 80.90 52 A 1 ATOM 406 C CE . LYS A 1 52 ? -16.402 -12.275 7.886 1.00 74.48 52 A 1 ATOM 407 N NZ . LYS A 1 52 ? -16.967 -13.266 8.836 1.00 63.50 52 A 1 ATOM 408 N N . ASN A 1 53 ? -9.968 -9.589 6.573 1.00 95.50 53 A 1 ATOM 409 C CA . ASN A 1 53 ? -8.616 -9.283 7.045 1.00 94.20 53 A 1 ATOM 410 C C . ASN A 1 53 ? -7.879 -8.263 6.171 1.00 95.55 53 A 1 ATOM 411 O O . ASN A 1 53 ? -6.676 -8.084 6.357 1.00 93.74 53 A 1 ATOM 412 C CB . ASN A 1 53 ? -7.836 -10.598 7.216 1.00 90.65 53 A 1 ATOM 413 C CG . ASN A 1 53 ? -8.391 -11.454 8.340 1.00 78.84 53 A 1 ATOM 414 O OD1 . ASN A 1 53 ? -9.036 -10.987 9.264 1.00 70.29 53 A 1 ATOM 415 N ND2 . ASN A 1 53 ? -8.147 -12.745 8.309 1.00 72.74 53 A 1 ATOM 416 N N . ARG A 1 54 ? -8.560 -7.595 5.225 1.00 97.06 54 A 1 ATOM 417 C CA . ARG A 1 54 ? -7.920 -6.577 4.381 1.00 96.95 54 A 1 ATOM 418 C C . ARG A 1 54 ? -7.401 -5.401 5.209 1.00 97.19 54 A 1 ATOM 419 O O . ARG A 1 54 ? -7.875 -5.121 6.313 1.00 96.56 54 A 1 ATOM 420 C CB . ARG A 1 54 ? -8.853 -6.136 3.237 1.00 95.34 54 A 1 ATOM 421 C CG . ARG A 1 54 ? -9.908 -5.082 3.636 1.00 89.94 54 A 1 ATOM 422 C CD . ARG A 1 54 ? -10.684 -4.564 2.420 1.00 87.49 54 A 1 ATOM 423 N NE . ARG A 1 54 ? -11.230 -3.216 2.678 1.00 79.80 54 A 1 ATOM 424 C CZ . ARG A 1 54 ? -10.574 -2.068 2.519 1.00 74.26 54 A 1 ATOM 425 N NH1 . ARG A 1 54 ? -9.359 -2.008 2.059 1.00 67.22 54 A 1 ATOM 426 N NH2 . ARG A 1 54 ? -11.126 -0.939 2.827 1.00 63.72 54 A 1 ATOM 427 N N . ALA A 1 55 ? -6.431 -4.703 4.653 1.00 97.23 55 A 1 ATOM 428 C CA . ALA A 1 55 ? -6.011 -3.384 5.112 1.00 96.98 55 A 1 ATOM 429 C C . ALA A 1 55 ? -5.517 -2.585 3.908 1.00 97.24 55 A 1 ATOM 430 O O . ALA A 1 55 ? -4.999 -3.169 2.956 1.00 96.44 55 A 1 ATOM 431 C CB . ALA A 1 55 ? -4.909 -3.527 6.167 1.00 96.04 55 A 1 ATOM 432 N N . ASP A 1 56 ? -5.639 -1.261 3.969 1.00 96.92 56 A 1 ATOM 433 C CA . ASP A 1 56 ? -5.123 -0.390 2.917 1.00 96.79 56 A 1 ATOM 434 C C . ASP A 1 56 ? -3.633 -0.127 3.137 1.00 97.37 56 A 1 ATOM 435 O O . ASP A 1 56 ? -3.171 0.071 4.267 1.00 96.79 56 A 1 ATOM 436 C CB . ASP A 1 56 ? -5.970 0.890 2.834 1.00 94.96 56 A 1 ATOM 437 C CG . ASP A 1 56 ? -7.428 0.539 2.496 1.00 89.69 56 A 1 ATOM 438 O OD1 . ASP A 1 56 ? -7.652 -0.232 1.536 1.00 85.54 56 A 1 ATOM 439 O OD2 . ASP A 1 56 ? -8.345 0.900 3.267 1.00 84.01 56 A 1 ATOM 440 N N . MET A 1 57 ? -2.857 -0.145 2.059 1.00 96.80 57 A 1 ATOM 441 C CA . MET A 1 57 ? -1.440 0.207 2.103 1.00 97.22 57 A 1 ATOM 442 C C . MET A 1 57 ? -1.315 1.728 2.212 1.00 97.27 57 A 1 ATOM 443 O O . MET A 1 57 ? -1.861 2.435 1.363 1.00 96.68 57 A 1 ATOM 444 C CB . MET A 1 57 ? -0.728 -0.321 0.859 1.00 96.92 57 A 1 ATOM 445 C CG . MET A 1 57 ? 0.794 -0.165 0.942 1.00 95.98 57 A 1 ATOM 446 S SD . MET A 1 57 ? 1.616 -0.782 -0.545 1.00 95.74 57 A 1 ATOM 447 C CE . MET A 1 57 ? 3.349 -0.695 -0.022 1.00 93.86 57 A 1 ATOM 448 N N . PRO A 1 58 ? -0.582 2.258 3.198 1.00 97.04 58 A 1 ATOM 449 C CA . PRO A 1 58 ? -0.325 3.695 3.269 1.00 96.83 58 A 1 ATOM 450 C C . PRO A 1 58 ? 0.406 4.204 2.019 1.00 97.01 58 A 1 ATOM 451 O O . PRO A 1 58 ? 1.379 3.584 1.582 1.00 96.53 58 A 1 ATOM 452 C CB . PRO A 1 58 ? 0.511 3.902 4.535 1.00 96.12 58 A 1 ATOM 453 C CG . PRO A 1 58 ? 0.163 2.692 5.400 1.00 95.04 58 A 1 ATOM 454 C CD . PRO A 1 58 ? -0.052 1.589 4.369 1.00 96.59 58 A 1 ATOM 455 N N . LEU A 1 59 ? 0.008 5.359 1.498 1.00 95.90 59 A 1 ATOM 456 C CA . LEU A 1 59 ? 0.592 5.954 0.286 1.00 95.48 59 A 1 ATOM 457 C C . LEU A 1 59 ? 2.120 6.086 0.378 1.00 95.78 59 A 1 ATOM 458 O O . LEU A 1 59 ? 2.827 5.724 -0.556 1.00 95.71 59 A 1 ATOM 459 C CB . LEU A 1 59 ? -0.073 7.322 0.039 1.00 94.43 59 A 1 ATOM 460 C CG . LEU A 1 59 ? 0.480 8.089 -1.183 1.00 91.08 59 A 1 ATOM 461 C CD1 . LEU A 1 59 ? 0.253 7.329 -2.490 1.00 88.35 59 A 1 ATOM 462 C CD2 . LEU A 1 59 ? -0.205 9.451 -1.286 1.00 87.77 59 A 1 ATOM 463 N N . VAL A 1 60 ? 2.648 6.514 1.528 1.00 96.59 60 A 1 ATOM 464 C CA . VAL A 1 60 ? 4.101 6.628 1.761 1.00 96.67 60 A 1 ATOM 465 C C . VAL A 1 60 ? 4.835 5.294 1.574 1.00 96.97 60 A 1 ATOM 466 O O . VAL A 1 60 ? 5.961 5.263 1.088 1.00 96.78 60 A 1 ATOM 467 C CB . VAL A 1 60 ? 4.357 7.222 3.162 1.00 96.16 60 A 1 ATOM 468 C CG1 . VAL A 1 60 ? 3.921 6.298 4.312 1.00 89.46 60 A 1 ATOM 469 C CG2 . VAL A 1 60 ? 5.835 7.589 3.357 1.00 89.92 60 A 1 ATOM 470 N N . LYS A 1 61 ? 4.209 4.179 1.919 1.00 97.15 61 A 1 ATOM 471 C CA . LYS A 1 61 ? 4.795 2.844 1.723 1.00 97.48 61 A 1 ATOM 472 C C . LYS A 1 61 ? 4.714 2.408 0.263 1.00 97.62 61 A 1 ATOM 473 O O . LYS A 1 61 ? 5.639 1.763 -0.218 1.00 97.36 61 A 1 ATOM 474 C CB . LYS A 1 61 ? 4.116 1.821 2.641 1.00 97.47 61 A 1 ATOM 475 C CG . LYS A 1 61 ? 4.416 2.091 4.119 1.00 96.18 61 A 1 ATOM 476 C CD . LYS A 1 61 ? 3.863 0.960 4.990 1.00 94.00 61 A 1 ATOM 477 C CE . LYS A 1 61 ? 4.230 1.137 6.466 1.00 91.07 61 A 1 ATOM 478 N NZ . LYS A 1 61 ? 5.664 0.866 6.736 1.00 86.37 61 A 1 ATOM 479 N N . TRP A 1 62 ? 3.642 2.785 -0.438 1.00 96.90 62 A 1 ATOM 480 C CA . TRP A 1 62 ? 3.513 2.567 -1.881 1.00 96.68 62 A 1 ATOM 481 C C . TRP A 1 62 ? 4.613 3.309 -2.646 1.00 96.60 62 A 1 ATOM 482 O O . TRP A 1 62 ? 5.340 2.683 -3.413 1.00 96.27 62 A 1 ATOM 483 C CB . TRP A 1 62 ? 2.122 2.998 -2.338 1.00 96.17 62 A 1 ATOM 484 C CG . TRP A 1 62 ? 1.906 2.873 -3.814 1.00 95.63 62 A 1 ATOM 485 C CD1 . TRP A 1 62 ? 1.683 3.896 -4.672 1.00 94.04 62 A 1 ATOM 486 C CD2 . TRP A 1 62 ? 1.910 1.663 -4.625 1.00 95.47 62 A 1 ATOM 487 N NE1 . TRP A 1 62 ? 1.535 3.399 -5.950 1.00 93.27 62 A 1 ATOM 488 C CE2 . TRP A 1 62 ? 1.667 2.031 -5.981 1.00 94.34 62 A 1 ATOM 489 C CE3 . TRP A 1 62 ? 2.093 0.291 -4.350 1.00 93.31 62 A 1 ATOM 490 C CZ2 . TRP A 1 62 ? 1.602 1.084 -7.015 1.00 92.78 62 A 1 ATOM 491 C CZ3 . TRP A 1 62 ? 2.031 -0.665 -5.385 1.00 92.46 62 A 1 ATOM 492 C CH2 . TRP A 1 62 ? 1.787 -0.272 -6.711 1.00 91.85 62 A 1 ATOM 493 N N . GLN A 1 63 ? 4.803 4.598 -2.363 1.00 95.44 63 A 1 ATOM 494 C CA . GLN A 1 63 ? 5.863 5.409 -2.968 1.00 94.84 63 A 1 ATOM 495 C C . GLN A 1 63 ? 7.251 4.830 -2.675 1.00 95.30 63 A 1 ATOM 496 O O . GLN A 1 63 ? 8.037 4.629 -3.595 1.00 95.07 63 A 1 ATOM 497 C CB . GLN A 1 63 ? 5.758 6.845 -2.446 1.00 93.73 63 A 1 ATOM 498 C CG . GLN A 1 63 ? 4.538 7.578 -3.022 1.00 85.94 63 A 1 ATOM 499 C CD . GLN A 1 63 ? 4.322 8.950 -2.384 1.00 79.50 63 A 1 ATOM 500 O OE1 . GLN A 1 63 ? 4.631 9.196 -1.230 1.00 71.44 63 A 1 ATOM 501 N NE2 . GLN A 1 63 ? 3.754 9.887 -3.102 1.00 67.26 63 A 1 ATOM 502 N N . LYS A 1 64 ? 7.526 4.462 -1.423 1.00 95.87 64 A 1 ATOM 503 C CA . LYS A 1 64 ? 8.794 3.827 -1.031 1.00 96.23 64 A 1 ATOM 504 C C . LYS A 1 64 ? 9.065 2.529 -1.804 1.00 96.56 64 A 1 ATOM 505 O O . LYS A 1 64 ? 10.207 2.272 -2.176 1.00 95.85 64 A 1 ATOM 506 C CB . LYS A 1 64 ? 8.779 3.591 0.489 1.00 95.90 64 A 1 ATOM 507 C CG . LYS A 1 64 ? 10.147 3.125 0.986 1.00 86.84 64 A 1 ATOM 508 C CD . LYS A 1 64 ? 10.180 2.980 2.507 1.00 88.41 64 A 1 ATOM 509 C CE . LYS A 1 64 ? 11.608 2.602 2.906 1.00 81.06 64 A 1 ATOM 510 N NZ . LYS A 1 64 ? 11.732 2.283 4.345 1.00 75.00 64 A 1 ATOM 511 N N . LEU A 1 65 ? 8.032 1.713 -2.030 1.00 96.58 65 A 1 ATOM 512 C CA . LEU A 1 65 ? 8.159 0.509 -2.851 1.00 96.60 65 A 1 ATOM 513 C C . LEU A 1 65 ? 8.492 0.867 -4.301 1.00 96.40 65 A 1 ATOM 514 O O . LEU A 1 65 ? 9.432 0.304 -4.843 1.00 96.06 65 A 1 ATOM 515 C CB . LEU A 1 65 ? 6.880 -0.336 -2.743 1.00 97.02 65 A 1 ATOM 516 C CG . LEU A 1 65 ? 6.899 -1.621 -3.591 1.00 96.72 65 A 1 ATOM 517 C CD1 . LEU A 1 65 ? 8.006 -2.586 -3.160 1.00 95.84 65 A 1 ATOM 518 C CD2 . LEU A 1 65 ? 5.557 -2.343 -3.445 1.00 96.03 65 A 1 ATOM 519 N N . LEU A 1 66 ? 7.773 1.802 -4.905 1.00 95.31 66 A 1 ATOM 520 C CA . LEU A 1 66 ? 8.039 2.241 -6.279 1.00 94.61 66 A 1 ATOM 521 C C . LEU A 1 66 ? 9.458 2.799 -6.444 1.00 94.47 66 A 1 ATOM 522 O O . LEU A 1 66 ? 10.136 2.455 -7.403 1.00 93.90 66 A 1 ATOM 523 C CB . LEU A 1 66 ? 7.013 3.301 -6.703 1.00 94.02 66 A 1 ATOM 524 C CG . LEU A 1 66 ? 5.565 2.809 -6.854 1.00 92.58 66 A 1 ATOM 525 C CD1 . LEU A 1 66 ? 4.694 3.988 -7.289 1.00 90.88 66 A 1 ATOM 526 C CD2 . LEU A 1 66 ? 5.424 1.693 -7.887 1.00 90.57 66 A 1 ATOM 527 N N . ASP A 1 67 ? 9.918 3.616 -5.495 1.00 94.56 67 A 1 ATOM 528 C CA . ASP A 1 67 ? 11.256 4.211 -5.530 1.00 94.20 67 A 1 ATOM 529 C C . ASP A 1 67 ? 12.375 3.169 -5.401 1.00 94.40 67 A 1 ATOM 530 O O . ASP A 1 67 ? 13.436 3.347 -5.984 1.00 93.58 67 A 1 ATOM 531 C CB . ASP A 1 67 ? 11.377 5.274 -4.427 1.00 93.50 67 A 1 ATOM 532 C CG . ASP A 1 67 ? 10.542 6.531 -4.705 1.00 91.06 67 A 1 ATOM 533 O OD1 . ASP A 1 67 ? 10.294 6.833 -5.904 1.00 88.07 67 A 1 ATOM 534 O OD2 . ASP A 1 67 ? 10.202 7.219 -3.720 1.00 88.10 67 A 1 ATOM 535 N N . SER A 1 68 ? 12.135 2.067 -4.690 1.00 95.49 68 A 1 ATOM 536 C CA . SER A 1 68 ? 13.107 0.969 -4.575 1.00 95.54 68 A 1 ATOM 537 C C . SER A 1 68 ? 13.228 0.087 -5.827 1.00 95.52 68 A 1 ATOM 538 O O . SER A 1 68 ? 14.126 -0.752 -5.888 1.00 94.04 68 A 1 ATOM 539 C CB . SER A 1 68 ? 12.765 0.100 -3.359 1.00 95.61 68 A 1 ATOM 540 O OG . SER A 1 68 ? 11.621 -0.697 -3.586 1.00 90.90 68 A 1 ATOM 541 N N . LEU A 1 69 ? 12.305 0.235 -6.776 1.00 93.95 69 A 1 ATOM 542 C CA . LEU A 1 69 ? 12.221 -0.579 -7.994 1.00 92.71 69 A 1 ATOM 543 C C . LEU A 1 69 ? 12.676 0.179 -9.254 1.00 91.52 69 A 1 ATOM 544 O O . LEU A 1 69 ? 12.561 -0.365 -10.355 1.00 87.99 69 A 1 ATOM 545 C CB . LEU A 1 69 ? 10.784 -1.105 -8.142 1.00 92.91 69 A 1 ATOM 546 C CG . LEU A 1 69 ? 10.305 -2.034 -7.013 1.00 92.57 69 A 1 ATOM 547 C CD1 . LEU A 1 69 ? 8.830 -2.375 -7.223 1.00 90.04 69 A 1 ATOM 548 C CD2 . LEU A 1 69 ? 11.095 -3.338 -6.942 1.00 90.73 69 A 1 ATOM 549 N N . LYS A 1 70 ? 13.144 1.420 -9.096 1.00 92.90 70 A 1 ATOM 550 C CA . LYS A 1 70 ? 13.770 2.222 -10.161 1.00 90.60 70 A 1 ATOM 551 C C . LYS A 1 70 ? 15.230 1.826 -10.360 1.00 87.31 70 A 1 ATOM 552 O O . LYS A 1 70 ? 15.662 1.815 -11.524 1.00 79.65 70 A 1 ATOM 553 C CB . LYS A 1 70 ? 13.669 3.717 -9.811 1.00 85.90 70 A 1 ATOM 554 C CG . LYS A 1 70 ? 12.231 4.257 -9.863 1.00 81.90 70 A 1 ATOM 555 C CD . LYS A 1 70 ? 12.184 5.703 -9.340 1.00 79.17 70 A 1 ATOM 556 C CE . LYS A 1 70 ? 10.739 6.213 -9.341 1.00 76.25 70 A 1 ATOM 557 N NZ . LYS A 1 70 ? 10.605 7.465 -8.553 1.00 68.98 70 A 1 ATOM 558 O OXT . LYS A 1 70 ? 15.900 1.594 -9.332 1.00 76.55 70 A 1 #