# 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_acrie2 # _entry.id acrie2 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n ASN 2 1 n THR 3 1 n TYR 4 1 n LEU 5 1 n ILE 6 1 n ASP 7 1 n PRO 8 1 n ARG 9 1 n LYS 10 1 n ASN 11 1 n ASN 12 1 n ASP 13 1 n ASN 14 1 n SER 15 1 n GLY 16 1 n GLU 17 1 n ARG 18 1 n PHE 19 1 n THR 20 1 n VAL 21 1 n ASP 22 1 n ALA 23 1 n VAL 24 1 n ASP 25 1 n ILE 26 1 n THR 27 1 n ALA 28 1 n ALA 29 1 n ALA 30 1 n LYS 31 1 n SER 32 1 n ALA 33 1 n ALA 34 1 n GLN 35 1 n GLN 36 1 n ILE 37 1 n LEU 38 1 n GLY 39 1 n GLU 40 1 n GLU 41 1 n PHE 42 1 n GLU 43 1 n GLY 44 1 n LEU 45 1 n VAL 46 1 n TYR 47 1 n ARG 48 1 n GLU 49 1 n THR 50 1 n GLY 51 1 n GLU 52 1 n SER 53 1 n ASN 54 1 n GLY 55 1 n SER 56 1 n GLY 57 1 n MET 58 1 n PHE 59 1 n GLN 60 1 n ALA 61 1 n TYR 62 1 n HIS 63 1 n HIS 64 1 n LEU 65 1 n HIS 66 1 n GLY 67 1 n THR 68 1 n ASN 69 1 n ARG 70 1 n THR 71 1 n GLU 72 1 n THR 73 1 n THR 74 1 n VAL 75 1 n GLY 76 1 n TYR 77 1 n PRO 78 1 n PHE 79 1 n HIS 80 1 n VAL 81 1 n MET 82 1 n GLU 83 1 n LEU 84 # _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 19:38:45)" _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 84.92 _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 84.96 1 1 A ASN 2 2 91.32 1 2 A THR 3 2 96.22 1 3 A TYR 4 2 95.83 1 4 A LEU 5 2 95.91 1 5 A ILE 6 2 96.06 1 6 A ASP 7 2 93.40 1 7 A PRO 8 2 93.95 1 8 A ARG 9 2 82.69 1 9 A LYS 10 2 84.10 1 10 A ASN 11 2 87.11 1 11 A ASN 12 2 61.20 1 12 A ASP 13 2 60.44 1 13 A ASN 14 2 59.81 1 14 A SER 15 2 67.38 1 15 A GLY 16 2 77.88 1 16 A GLU 17 2 81.25 1 17 A ARG 18 2 87.25 1 18 A PHE 19 2 95.27 1 19 A THR 20 2 96.90 1 20 A VAL 21 2 95.60 1 21 A ASP 22 2 96.65 1 22 A ALA 23 2 96.88 1 23 A VAL 24 2 94.59 1 24 A ASP 25 2 92.75 1 25 A ILE 26 2 93.87 1 26 A THR 27 2 92.17 1 27 A ALA 28 2 95.63 1 28 A ALA 29 2 96.53 1 29 A ALA 30 2 96.36 1 30 A LYS 31 2 86.49 1 31 A SER 32 2 94.48 1 32 A ALA 33 2 95.97 1 33 A ALA 34 2 95.28 1 34 A GLN 35 2 91.72 1 35 A GLN 36 2 87.12 1 36 A ILE 37 2 92.72 1 37 A LEU 38 2 90.86 1 38 A GLY 39 2 90.99 1 39 A GLU 40 2 81.48 1 40 A GLU 41 2 80.15 1 41 A PHE 42 2 90.66 1 42 A GLU 43 2 78.20 1 43 A GLY 44 2 90.58 1 44 A LEU 45 2 87.50 1 45 A VAL 46 2 93.12 1 46 A TYR 47 2 86.38 1 47 A ARG 48 2 84.75 1 48 A GLU 49 2 84.32 1 49 A THR 50 2 86.88 1 50 A GLY 51 2 85.14 1 51 A GLU 52 2 65.41 1 52 A SER 53 2 65.40 1 53 A ASN 54 2 59.40 1 54 A GLY 55 2 84.05 1 55 A SER 56 2 89.95 1 56 A GLY 57 2 95.62 1 57 A MET 58 2 91.75 1 58 A PHE 59 2 95.55 1 59 A GLN 60 2 92.70 1 60 A ALA 61 2 94.70 1 61 A TYR 62 2 90.42 1 62 A HIS 63 2 79.60 1 63 A HIS 64 2 67.53 1 64 A LEU 65 2 67.08 1 65 A HIS 66 2 58.45 1 66 A GLY 67 2 64.88 1 67 A THR 68 2 56.72 1 68 A ASN 69 2 59.00 1 69 A ARG 70 2 54.48 1 70 A THR 71 2 69.82 1 71 A GLU 72 2 76.21 1 72 A THR 73 2 84.57 1 73 A THR 74 2 89.35 1 74 A VAL 75 2 88.33 1 75 A GLY 76 2 92.60 1 76 A TYR 77 2 90.72 1 77 A PRO 78 2 94.43 1 78 A PHE 79 2 95.94 1 79 A HIS 80 2 89.44 1 80 A VAL 81 2 96.40 1 81 A MET 82 2 88.09 1 82 A GLU 83 2 90.57 1 83 A LEU 84 2 89.94 1 84 # _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 ASN . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n TYR . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n ASP . 7 A 7 A 8 1 n PRO . 8 A 8 A 9 1 n ARG . 9 A 9 A 10 1 n LYS . 10 A 10 A 11 1 n ASN . 11 A 11 A 12 1 n ASN . 12 A 12 A 13 1 n ASP . 13 A 13 A 14 1 n ASN . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n GLU . 17 A 17 A 18 1 n ARG . 18 A 18 A 19 1 n PHE . 19 A 19 A 20 1 n THR . 20 A 20 A 21 1 n VAL . 21 A 21 A 22 1 n ASP . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n VAL . 24 A 24 A 25 1 n ASP . 25 A 25 A 26 1 n ILE . 26 A 26 A 27 1 n THR . 27 A 27 A 28 1 n ALA . 28 A 28 A 29 1 n ALA . 29 A 29 A 30 1 n ALA . 30 A 30 A 31 1 n LYS . 31 A 31 A 32 1 n SER . 32 A 32 A 33 1 n ALA . 33 A 33 A 34 1 n ALA . 34 A 34 A 35 1 n GLN . 35 A 35 A 36 1 n GLN . 36 A 36 A 37 1 n ILE . 37 A 37 A 38 1 n LEU . 38 A 38 A 39 1 n GLY . 39 A 39 A 40 1 n GLU . 40 A 40 A 41 1 n GLU . 41 A 41 A 42 1 n PHE . 42 A 42 A 43 1 n GLU . 43 A 43 A 44 1 n GLY . 44 A 44 A 45 1 n LEU . 45 A 45 A 46 1 n VAL . 46 A 46 A 47 1 n TYR . 47 A 47 A 48 1 n ARG . 48 A 48 A 49 1 n GLU . 49 A 49 A 50 1 n THR . 50 A 50 A 51 1 n GLY . 51 A 51 A 52 1 n GLU . 52 A 52 A 53 1 n SER . 53 A 53 A 54 1 n ASN . 54 A 54 A 55 1 n GLY . 55 A 55 A 56 1 n SER . 56 A 56 A 57 1 n GLY . 57 A 57 A 58 1 n MET . 58 A 58 A 59 1 n PHE . 59 A 59 A 60 1 n GLN . 60 A 60 A 61 1 n ALA . 61 A 61 A 62 1 n TYR . 62 A 62 A 63 1 n HIS . 63 A 63 A 64 1 n HIS . 64 A 64 A 65 1 n LEU . 65 A 65 A 66 1 n HIS . 66 A 66 A 67 1 n GLY . 67 A 67 A 68 1 n THR . 68 A 68 A 69 1 n ASN . 69 A 69 A 70 1 n ARG . 70 A 70 A 71 1 n THR . 71 A 71 A 72 1 n GLU . 72 A 72 A 73 1 n THR . 73 A 73 A 74 1 n THR . 74 A 74 A 75 1 n VAL . 75 A 75 A 76 1 n GLY . 76 A 76 A 77 1 n TYR . 77 A 77 A 78 1 n PRO . 78 A 78 A 79 1 n PHE . 79 A 79 A 80 1 n HIS . 80 A 80 A 81 1 n VAL . 81 A 81 A 82 1 n MET . 82 A 82 A 83 1 n GLU . 83 A 83 A 84 1 n LEU . 84 A 84 # _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 ? -13.059 9.487 12.295 1.00 88.08 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.322 9.506 11.016 1.00 92.55 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.211 10.518 11.206 1.00 94.25 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.514 11.610 11.676 1.00 92.40 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.269 9.850 9.866 1.00 86.34 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.673 9.597 8.481 1.00 78.97 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.970 9.379 7.231 1.00 77.60 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.971 9.362 5.719 1.00 69.50 1 A 1 ATOM 9 N N . ASN A 1 2 ? -9.979 10.122 10.971 1.00 95.90 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -8.791 10.928 11.240 1.00 96.07 2 A 1 ATOM 11 C C . ASN A 1 2 ? -8.122 11.277 9.914 1.00 96.93 2 A 1 ATOM 12 O O . ASN A 1 2 ? -8.249 10.528 8.940 1.00 96.41 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -7.835 10.158 12.171 1.00 94.09 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -8.423 9.818 13.533 1.00 90.45 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -9.421 10.368 13.979 1.00 81.31 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -7.850 8.873 14.231 1.00 79.43 2 A 1 ATOM 17 N N . THR A 1 3 ? -7.398 12.390 9.884 1.00 96.88 3 A 1 ATOM 18 C CA . THR A 1 3 ? -6.623 12.819 8.720 1.00 97.25 3 A 1 ATOM 19 C C . THR A 1 3 ? -5.180 12.340 8.859 1.00 97.22 3 A 1 ATOM 20 O O . THR A 1 3 ? -4.559 12.493 9.910 1.00 96.99 3 A 1 ATOM 21 C CB . THR A 1 3 ? -6.697 14.339 8.534 1.00 97.21 3 A 1 ATOM 22 O OG1 . THR A 1 3 ? -8.053 14.740 8.465 1.00 93.99 3 A 1 ATOM 23 C CG2 . THR A 1 3 ? -6.028 14.797 7.247 1.00 93.97 3 A 1 ATOM 24 N N . TYR A 1 4 ? -4.634 11.761 7.791 1.00 97.27 4 A 1 ATOM 25 C CA . TYR A 1 4 ? -3.270 11.247 7.735 1.00 97.11 4 A 1 ATOM 26 C C . TYR A 1 4 ? -2.480 11.952 6.639 1.00 97.29 4 A 1 ATOM 27 O O . TYR A 1 4 ? -2.937 12.056 5.500 1.00 97.14 4 A 1 ATOM 28 C CB . TYR A 1 4 ? -3.278 9.729 7.517 1.00 96.74 4 A 1 ATOM 29 C CG . TYR A 1 4 ? -3.918 8.948 8.646 1.00 96.43 4 A 1 ATOM 30 C CD1 . TYR A 1 4 ? -3.127 8.455 9.701 1.00 95.52 4 A 1 ATOM 31 C CD2 . TYR A 1 4 ? -5.315 8.752 8.667 1.00 95.74 4 A 1 ATOM 32 C CE1 . TYR A 1 4 ? -3.725 7.780 10.780 1.00 94.71 4 A 1 ATOM 33 C CE2 . TYR A 1 4 ? -5.921 8.084 9.750 1.00 94.70 4 A 1 ATOM 34 C CZ . TYR A 1 4 ? -5.124 7.606 10.812 1.00 94.54 4 A 1 ATOM 35 O OH . TYR A 1 4 ? -5.709 6.993 11.877 1.00 92.77 4 A 1 ATOM 36 N N . LEU A 1 5 ? -1.273 12.401 6.974 1.00 96.96 5 A 1 ATOM 37 C CA . LEU A 1 5 ? -0.294 12.897 6.014 1.00 97.03 5 A 1 ATOM 38 C C . LEU A 1 5 ? 0.460 11.717 5.396 1.00 97.04 5 A 1 ATOM 39 O O . LEU A 1 5 ? 1.039 10.893 6.108 1.00 96.93 5 A 1 ATOM 40 C CB . LEU A 1 5 ? 0.661 13.866 6.724 1.00 96.85 5 A 1 ATOM 41 C CG . LEU A 1 5 ? 1.707 14.509 5.791 1.00 95.50 5 A 1 ATOM 42 C CD1 . LEU A 1 5 ? 1.067 15.468 4.785 1.00 93.61 5 A 1 ATOM 43 C CD2 . LEU A 1 5 ? 2.716 15.302 6.622 1.00 93.35 5 A 1 ATOM 44 N N . ILE A 1 6 ? 0.494 11.676 4.069 1.00 96.63 6 A 1 ATOM 45 C CA . ILE A 1 6 ? 1.202 10.675 3.282 1.00 96.45 6 A 1 ATOM 46 C C . ILE A 1 6 ? 2.430 11.328 2.644 1.00 96.20 6 A 1 ATOM 47 O O . ILE A 1 6 ? 2.326 12.339 1.952 1.00 95.99 6 A 1 ATOM 48 C CB . ILE A 1 6 ? 0.273 10.051 2.223 1.00 96.52 6 A 1 ATOM 49 C CG1 . ILE A 1 6 ? -1.096 9.600 2.790 1.00 95.90 6 A 1 ATOM 50 C CG2 . ILE A 1 6 ? 0.991 8.882 1.528 1.00 96.13 6 A 1 ATOM 51 C CD1 . ILE A 1 6 ? -1.047 8.624 3.971 1.00 94.62 6 A 1 ATOM 52 N N . ASP A 1 7 ? 3.588 10.730 2.869 1.00 95.94 7 A 1 ATOM 53 C CA . ASP A 1 7 ? 4.832 11.040 2.162 1.00 95.49 7 A 1 ATOM 54 C C . ASP A 1 7 ? 5.144 9.863 1.218 1.00 95.45 7 A 1 ATOM 55 O O . ASP A 1 7 ? 5.599 8.815 1.692 1.00 94.91 7 A 1 ATOM 56 C CB . ASP A 1 7 ? 5.936 11.310 3.198 1.00 94.47 7 A 1 ATOM 57 C CG . ASP A 1 7 ? 7.296 11.709 2.619 1.00 92.38 7 A 1 ATOM 58 O OD1 . ASP A 1 7 ? 7.511 11.602 1.394 1.00 90.01 7 A 1 ATOM 59 O OD2 . ASP A 1 7 ? 8.167 12.099 3.447 1.00 88.56 7 A 1 ATOM 60 N N . PRO A 1 8 ? 4.885 10.001 -0.100 1.00 95.46 8 A 1 ATOM 61 C CA . PRO A 1 8 ? 5.041 8.910 -1.060 1.00 94.80 8 A 1 ATOM 62 C C . PRO A 1 8 ? 6.506 8.532 -1.312 1.00 94.09 8 A 1 ATOM 63 O O . PRO A 1 8 ? 6.774 7.502 -1.945 1.00 91.71 8 A 1 ATOM 64 C CB . PRO A 1 8 ? 4.337 9.399 -2.329 1.00 93.86 8 A 1 ATOM 65 C CG . PRO A 1 8 ? 4.490 10.911 -2.255 1.00 92.79 8 A 1 ATOM 66 C CD . PRO A 1 8 ? 4.383 11.197 -0.766 1.00 94.94 8 A 1 ATOM 67 N N . ARG A 1 9 ? 7.465 9.303 -0.791 1.00 93.51 9 A 1 ATOM 68 C CA . ARG A 1 9 ? 8.913 9.062 -0.915 1.00 92.52 9 A 1 ATOM 69 C C . ARG A 1 9 ? 9.357 8.991 -2.379 1.00 91.60 9 A 1 ATOM 70 O O . ARG A 1 9 ? 9.305 10.002 -3.076 1.00 84.97 9 A 1 ATOM 71 C CB . ARG A 1 9 ? 9.325 7.833 -0.076 1.00 91.05 9 A 1 ATOM 72 C CG . ARG A 1 9 ? 9.012 7.955 1.429 1.00 87.92 9 A 1 ATOM 73 C CD . ARG A 1 9 ? 9.887 9.038 2.065 1.00 83.46 9 A 1 ATOM 74 N NE . ARG A 1 9 ? 9.646 9.113 3.511 1.00 78.85 9 A 1 ATOM 75 C CZ . ARG A 1 9 ? 10.490 9.574 4.417 1.00 73.78 9 A 1 ATOM 76 N NH1 . ARG A 1 9 ? 11.679 10.011 4.102 1.00 66.13 9 A 1 ATOM 77 N NH2 . ARG A 1 9 ? 10.142 9.612 5.668 1.00 65.78 9 A 1 ATOM 78 N N . LYS A 1 10 ? 9.847 7.843 -2.828 1.00 91.57 10 A 1 ATOM 79 C CA . LYS A 1 10 ? 10.421 7.637 -4.166 1.00 90.66 10 A 1 ATOM 80 C C . LYS A 1 10 ? 9.405 7.151 -5.204 1.00 90.05 10 A 1 ATOM 81 O O . LYS A 1 10 ? 9.817 6.770 -6.299 1.00 86.64 10 A 1 ATOM 82 C CB . LYS A 1 10 ? 11.616 6.676 -4.085 1.00 89.61 10 A 1 ATOM 83 C CG . LYS A 1 10 ? 12.784 7.225 -3.263 1.00 84.83 10 A 1 ATOM 84 C CD . LYS A 1 10 ? 13.950 6.232 -3.346 1.00 81.12 10 A 1 ATOM 85 C CE . LYS A 1 10 ? 15.159 6.755 -2.574 1.00 75.46 10 A 1 ATOM 86 N NZ . LYS A 1 10 ? 16.297 5.809 -2.672 1.00 66.98 10 A 1 ATOM 87 N N . ASN A 1 11 ? 8.126 7.121 -4.862 1.00 91.77 11 A 1 ATOM 88 C CA . ASN A 1 11 ? 7.099 6.766 -5.833 1.00 89.42 11 A 1 ATOM 89 C C . ASN A 1 11 ? 6.927 7.934 -6.815 1.00 84.92 11 A 1 ATOM 90 O O . ASN A 1 11 ? 6.540 9.033 -6.420 1.00 76.80 11 A 1 ATOM 91 C CB . ASN A 1 11 ? 5.802 6.380 -5.111 1.00 89.62 11 A 1 ATOM 92 C CG . ASN A 1 11 ? 5.982 5.130 -4.267 1.00 90.30 11 A 1 ATOM 93 O OD1 . ASN A 1 11 ? 6.124 4.026 -4.765 1.00 86.31 11 A 1 ATOM 94 N ND2 . ASN A 1 11 ? 6.028 5.273 -2.959 1.00 87.76 11 A 1 ATOM 95 N N . ASN A 1 12 ? 7.251 7.700 -8.085 1.00 73.32 12 A 1 ATOM 96 C CA . ASN A 1 12 ? 7.308 8.757 -9.102 1.00 68.40 12 A 1 ATOM 97 C C . ASN A 1 12 ? 5.926 9.232 -9.561 1.00 69.75 12 A 1 ATOM 98 O O . ASN A 1 12 ? 5.814 10.362 -10.022 1.00 62.43 12 A 1 ATOM 99 C CB . ASN A 1 12 ? 8.139 8.255 -10.293 1.00 60.46 12 A 1 ATOM 100 C CG . ASN A 1 12 ? 9.617 8.077 -9.988 1.00 55.20 12 A 1 ATOM 101 O OD1 . ASN A 1 12 ? 10.191 8.612 -9.056 1.00 49.29 12 A 1 ATOM 102 N ND2 . ASN A 1 12 ? 10.303 7.303 -10.793 1.00 50.77 12 A 1 ATOM 103 N N . ASP A 1 13 ? 4.893 8.408 -9.407 1.00 65.90 13 A 1 ATOM 104 C CA . ASP A 1 13 ? 3.555 8.705 -9.945 1.00 64.19 13 A 1 ATOM 105 C C . ASP A 1 13 ? 2.907 9.934 -9.283 1.00 64.60 13 A 1 ATOM 106 O O . ASP A 1 13 ? 2.135 10.646 -9.919 1.00 60.46 13 A 1 ATOM 107 C CB . ASP A 1 13 ? 2.675 7.450 -9.833 1.00 61.07 13 A 1 ATOM 108 C CG . ASP A 1 13 ? 3.237 6.260 -10.630 1.00 57.57 13 A 1 ATOM 109 O OD1 . ASP A 1 13 ? 3.975 6.501 -11.616 1.00 55.83 13 A 1 ATOM 110 O OD2 . ASP A 1 13 ? 2.997 5.113 -10.201 1.00 53.91 13 A 1 ATOM 111 N N . ASN A 1 14 ? 3.312 10.247 -8.046 1.00 65.09 14 A 1 ATOM 112 C CA . ASN A 1 14 ? 2.906 11.458 -7.325 1.00 63.74 14 A 1 ATOM 113 C C . ASN A 1 14 ? 4.035 12.500 -7.210 1.00 66.20 14 A 1 ATOM 114 O O . ASN A 1 14 ? 3.995 13.367 -6.335 1.00 62.46 14 A 1 ATOM 115 C CB . ASN A 1 14 ? 2.308 11.051 -5.967 1.00 59.63 14 A 1 ATOM 116 C CG . ASN A 1 14 ? 0.902 10.493 -6.094 1.00 56.55 14 A 1 ATOM 117 O OD1 . ASN A 1 14 ? 0.183 10.720 -7.045 1.00 53.50 14 A 1 ATOM 118 N ND2 . ASN A 1 14 ? 0.439 9.774 -5.106 1.00 51.27 14 A 1 ATOM 119 N N . SER A 1 15 ? 5.069 12.423 -8.032 1.00 71.35 15 A 1 ATOM 120 C CA . SER A 1 15 ? 6.229 13.342 -8.018 1.00 69.89 15 A 1 ATOM 121 C C . SER A 1 15 ? 6.885 13.535 -6.637 1.00 71.88 15 A 1 ATOM 122 O O . SER A 1 15 ? 7.621 14.496 -6.412 1.00 65.69 15 A 1 ATOM 123 C CB . SER A 1 15 ? 5.855 14.688 -8.656 1.00 65.27 15 A 1 ATOM 124 O OG . SER A 1 15 ? 5.410 14.499 -9.985 1.00 60.17 15 A 1 ATOM 125 N N . GLY A 1 16 ? 6.636 12.633 -5.698 1.00 74.91 16 A 1 ATOM 126 C CA . GLY A 1 16 ? 7.090 12.747 -4.311 1.00 76.47 16 A 1 ATOM 127 C C . GLY A 1 16 ? 6.350 13.803 -3.482 1.00 81.84 16 A 1 ATOM 128 O O . GLY A 1 16 ? 6.758 14.068 -2.347 1.00 78.28 16 A 1 ATOM 129 N N . GLU A 1 17 ? 5.287 14.414 -4.009 1.00 89.04 17 A 1 ATOM 130 C CA . GLU A 1 17 ? 4.486 15.396 -3.284 1.00 91.52 17 A 1 ATOM 131 C C . GLU A 1 17 ? 3.671 14.734 -2.174 1.00 93.38 17 A 1 ATOM 132 O O . GLU A 1 17 ? 3.085 13.662 -2.337 1.00 92.87 17 A 1 ATOM 133 C CB . GLU A 1 17 ? 3.580 16.205 -4.219 1.00 89.18 17 A 1 ATOM 134 C CG . GLU A 1 17 ? 4.399 17.100 -5.167 1.00 77.95 17 A 1 ATOM 135 C CD . GLU A 1 17 ? 3.541 18.106 -5.955 1.00 70.10 17 A 1 ATOM 136 O OE1 . GLU A 1 17 ? 4.154 19.019 -6.558 1.00 64.05 17 A 1 ATOM 137 O OE2 . GLU A 1 17 ? 2.297 17.993 -5.926 1.00 63.20 17 A 1 ATOM 138 N N . ARG A 1 18 ? 3.651 15.393 -1.022 1.00 95.56 18 A 1 ATOM 139 C CA . ARG A 1 18 ? 2.859 14.926 0.117 1.00 95.88 18 A 1 ATOM 140 C C . ARG A 1 18 ? 1.388 15.247 -0.099 1.00 95.79 18 A 1 ATOM 141 O O . ARG A 1 18 ? 1.053 16.327 -0.567 1.00 94.65 18 A 1 ATOM 142 C CB . ARG A 1 18 ? 3.355 15.545 1.422 1.00 95.06 18 A 1 ATOM 143 C CG . ARG A 1 18 ? 4.758 15.051 1.775 1.00 92.71 18 A 1 ATOM 144 C CD . ARG A 1 18 ? 5.213 15.715 3.071 1.00 89.96 18 A 1 ATOM 145 N NE . ARG A 1 18 ? 6.555 15.250 3.441 1.00 82.37 18 A 1 ATOM 146 C CZ . ARG A 1 18 ? 7.368 15.801 4.318 1.00 77.37 18 A 1 ATOM 147 N NH1 . ARG A 1 18 ? 7.040 16.868 5.002 1.00 72.17 18 A 1 ATOM 148 N NH2 . ARG A 1 18 ? 8.538 15.266 4.504 1.00 68.24 18 A 1 ATOM 149 N N . PHE A 1 19 ? 0.531 14.350 0.338 1.00 95.27 19 A 1 ATOM 150 C CA . PHE A 1 19 ? -0.916 14.533 0.296 1.00 95.25 19 A 1 ATOM 151 C C . PHE A 1 19 ? -1.563 14.005 1.579 1.00 96.18 19 A 1 ATOM 152 O O . PHE A 1 19 ? -0.906 13.371 2.403 1.00 96.48 19 A 1 ATOM 153 C CB . PHE A 1 19 ? -1.477 13.869 -0.967 1.00 95.06 19 A 1 ATOM 154 C CG . PHE A 1 19 ? -1.276 12.367 -1.053 1.00 95.45 19 A 1 ATOM 155 C CD1 . PHE A 1 19 ? -0.078 11.843 -1.581 1.00 95.00 19 A 1 ATOM 156 C CD2 . PHE A 1 19 ? -2.290 11.492 -0.633 1.00 95.14 19 A 1 ATOM 157 C CE1 . PHE A 1 19 ? 0.098 10.455 -1.696 1.00 94.58 19 A 1 ATOM 158 C CE2 . PHE A 1 19 ? -2.116 10.102 -0.748 1.00 94.81 19 A 1 ATOM 159 C CZ . PHE A 1 19 ? -0.923 9.583 -1.283 1.00 94.74 19 A 1 ATOM 160 N N . THR A 1 20 ? -2.840 14.292 1.773 1.00 97.35 20 A 1 ATOM 161 C CA . THR A 1 20 ? -3.591 13.816 2.942 1.00 97.72 20 A 1 ATOM 162 C C . THR A 1 20 ? -4.683 12.840 2.530 1.00 97.55 20 A 1 ATOM 163 O O . THR A 1 20 ? -5.273 12.984 1.461 1.00 97.15 20 A 1 ATOM 164 C CB . THR A 1 20 ? -4.201 14.971 3.746 1.00 97.73 20 A 1 ATOM 165 O OG1 . THR A 1 20 ? -4.974 15.797 2.905 1.00 95.88 20 A 1 ATOM 166 C CG2 . THR A 1 20 ? -3.124 15.834 4.401 1.00 94.92 20 A 1 ATOM 167 N N . VAL A 1 21 ? -4.978 11.892 3.401 1.00 97.34 21 A 1 ATOM 168 C CA . VAL A 1 21 ? -6.129 10.990 3.274 1.00 97.46 21 A 1 ATOM 169 C C . VAL A 1 21 ? -6.919 10.972 4.578 1.00 97.81 21 A 1 ATOM 170 O O . VAL A 1 21 ? -6.340 10.997 5.664 1.00 97.55 21 A 1 ATOM 171 C CB . VAL A 1 21 ? -5.729 9.558 2.862 1.00 96.37 21 A 1 ATOM 172 C CG1 . VAL A 1 21 ? -5.011 9.545 1.508 1.00 91.42 21 A 1 ATOM 173 C CG2 . VAL A 1 21 ? -4.837 8.845 3.884 1.00 91.23 21 A 1 ATOM 174 N N . ASP A 1 22 ? -8.240 10.891 4.477 1.00 97.90 22 A 1 ATOM 175 C CA . ASP A 1 22 ? -9.100 10.666 5.636 1.00 97.98 22 A 1 ATOM 176 C C . ASP A 1 22 ? -9.429 9.176 5.746 1.00 97.86 22 A 1 ATOM 177 O O . ASP A 1 22 ? -9.863 8.539 4.782 1.00 97.32 22 A 1 ATOM 178 C CB . ASP A 1 22 ? -10.363 11.530 5.551 1.00 97.91 22 A 1 ATOM 179 C CG . ASP A 1 22 ? -10.076 13.031 5.677 1.00 96.81 22 A 1 ATOM 180 O OD1 . ASP A 1 22 ? -9.223 13.410 6.516 1.00 93.62 22 A 1 ATOM 181 O OD2 . ASP A 1 22 ? -10.741 13.801 4.950 1.00 93.82 22 A 1 ATOM 182 N N . ALA A 1 23 ? -9.226 8.607 6.933 1.00 97.32 23 A 1 ATOM 183 C CA . ALA A 1 23 ? -9.458 7.186 7.178 1.00 97.03 23 A 1 ATOM 184 C C . ALA A 1 23 ? -9.886 6.907 8.624 1.00 96.97 23 A 1 ATOM 185 O O . ALA A 1 23 ? -9.771 7.741 9.522 1.00 96.47 23 A 1 ATOM 186 C CB . ALA A 1 23 ? -8.194 6.411 6.790 1.00 96.60 23 A 1 ATOM 187 N N . VAL A 1 24 ? -10.403 5.696 8.852 1.00 96.65 24 A 1 ATOM 188 C CA . VAL A 1 24 ? -10.829 5.250 10.192 1.00 96.13 24 A 1 ATOM 189 C C . VAL A 1 24 ? -9.644 4.886 11.088 1.00 95.64 24 A 1 ATOM 190 O O . VAL A 1 24 ? -9.735 5.030 12.302 1.00 94.64 24 A 1 ATOM 191 C CB . VAL A 1 24 ? -11.838 4.087 10.114 1.00 95.80 24 A 1 ATOM 192 C CG1 . VAL A 1 24 ? -13.140 4.554 9.441 1.00 91.65 24 A 1 ATOM 193 C CG2 . VAL A 1 24 ? -11.316 2.856 9.359 1.00 91.65 24 A 1 ATOM 194 N N . ASP A 1 25 ? -8.552 4.428 10.479 1.00 95.00 25 A 1 ATOM 195 C CA . ASP A 1 25 ? -7.297 4.087 11.146 1.00 94.62 25 A 1 ATOM 196 C C . ASP A 1 25 ? -6.121 4.177 10.163 1.00 95.35 25 A 1 ATOM 197 O O . ASP A 1 25 ? -6.294 4.352 8.951 1.00 95.30 25 A 1 ATOM 198 C CB . ASP A 1 25 ? -7.410 2.692 11.796 1.00 93.06 25 A 1 ATOM 199 C CG . ASP A 1 25 ? -7.641 1.552 10.799 1.00 91.57 25 A 1 ATOM 200 O OD1 . ASP A 1 25 ? -6.840 1.432 9.847 1.00 88.94 25 A 1 ATOM 201 O OD2 . ASP A 1 25 ? -8.599 0.772 11.003 1.00 88.19 25 A 1 ATOM 202 N N . ILE A 1 26 ? -4.897 4.037 10.678 1.00 94.66 26 A 1 ATOM 203 C CA . ILE A 1 26 ? -3.664 4.152 9.892 1.00 94.98 26 A 1 ATOM 204 C C . ILE A 1 26 ? -3.503 3.045 8.839 1.00 95.40 26 A 1 ATOM 205 O O . ILE A 1 26 ? -2.853 3.255 7.815 1.00 95.29 26 A 1 ATOM 206 C CB . ILE A 1 26 ? -2.452 4.216 10.851 1.00 94.49 26 A 1 ATOM 207 C CG1 . ILE A 1 26 ? -1.187 4.676 10.084 1.00 93.20 26 A 1 ATOM 208 C CG2 . ILE A 1 26 ? -2.227 2.884 11.582 1.00 92.16 26 A 1 ATOM 209 C CD1 . ILE A 1 26 ? -0.016 5.049 10.997 1.00 90.80 26 A 1 ATOM 210 N N . THR A 1 27 ? -4.082 1.869 9.058 1.00 94.34 27 A 1 ATOM 211 C CA . THR A 1 27 ? -4.027 0.759 8.096 1.00 94.09 27 A 1 ATOM 212 C C . THR A 1 27 ? -4.932 1.051 6.902 1.00 94.82 27 A 1 ATOM 213 O O . THR A 1 27 ? -4.521 0.889 5.753 1.00 94.76 27 A 1 ATOM 214 C CB . THR A 1 27 ? -4.429 -0.565 8.764 1.00 92.69 27 A 1 ATOM 215 O OG1 . THR A 1 27 ? -3.608 -0.800 9.886 1.00 88.16 27 A 1 ATOM 216 C CG2 . THR A 1 27 ? -4.262 -1.764 7.830 1.00 86.35 27 A 1 ATOM 217 N N . ALA A 1 28 ? -6.136 1.560 7.166 1.00 95.06 28 A 1 ATOM 218 C CA . ALA A 1 28 ? -7.034 2.047 6.131 1.00 95.50 28 A 1 ATOM 219 C C . ALA A 1 28 ? -6.411 3.230 5.365 1.00 96.04 28 A 1 ATOM 220 O O . ALA A 1 28 ? -6.440 3.236 4.135 1.00 96.12 28 A 1 ATOM 221 C CB . ALA A 1 28 ? -8.376 2.410 6.782 1.00 95.42 28 A 1 ATOM 222 N N . ALA A 1 29 ? -5.764 4.164 6.070 1.00 96.20 29 A 1 ATOM 223 C CA . ALA A 1 29 ? -5.036 5.267 5.446 1.00 96.55 29 A 1 ATOM 224 C C . ALA A 1 29 ? -3.914 4.773 4.524 1.00 96.68 29 A 1 ATOM 225 O O . ALA A 1 29 ? -3.791 5.249 3.397 1.00 96.61 29 A 1 ATOM 226 C CB . ALA A 1 29 ? -4.470 6.182 6.537 1.00 96.61 29 A 1 ATOM 227 N N . ALA A 1 30 ? -3.130 3.787 4.961 1.00 96.46 30 A 1 ATOM 228 C CA . ALA A 1 30 ? -2.066 3.201 4.152 1.00 96.42 30 A 1 ATOM 229 C C . ALA A 1 30 ? -2.606 2.505 2.895 1.00 96.41 30 A 1 ATOM 230 O O . ALA A 1 30 ? -2.013 2.623 1.824 1.00 96.28 30 A 1 ATOM 231 C CB . ALA A 1 30 ? -1.263 2.234 5.025 1.00 96.24 30 A 1 ATOM 232 N N . LYS A 1 31 ? -3.744 1.824 2.997 1.00 96.66 31 A 1 ATOM 233 C CA . LYS A 1 31 ? -4.392 1.202 1.838 1.00 96.20 31 A 1 ATOM 234 C C . LYS A 1 31 ? -4.879 2.251 0.832 1.00 96.35 31 A 1 ATOM 235 O O . LYS A 1 31 ? -4.569 2.136 -0.349 1.00 95.94 31 A 1 ATOM 236 C CB . LYS A 1 31 ? -5.512 0.259 2.304 1.00 95.03 31 A 1 ATOM 237 C CG . LYS A 1 31 ? -6.070 -0.533 1.112 1.00 84.28 31 A 1 ATOM 238 C CD . LYS A 1 31 ? -7.135 -1.556 1.528 1.00 79.72 31 A 1 ATOM 239 C CE . LYS A 1 31 ? -7.608 -2.270 0.250 1.00 71.06 31 A 1 ATOM 240 N NZ . LYS A 1 31 ? -8.641 -3.303 0.510 1.00 63.15 31 A 1 ATOM 241 N N . SER A 1 32 ? -5.572 3.284 1.297 1.00 96.32 32 A 1 ATOM 242 C CA . SER A 1 32 ? -6.011 4.392 0.438 1.00 96.47 32 A 1 ATOM 243 C C . SER A 1 32 ? -4.828 5.129 -0.197 1.00 96.51 32 A 1 ATOM 244 O O . SER A 1 32 ? -4.860 5.443 -1.383 1.00 96.08 32 A 1 ATOM 245 C CB . SER A 1 32 ? -6.857 5.388 1.239 1.00 96.39 32 A 1 ATOM 246 O OG . SER A 1 32 ? -8.032 4.762 1.715 1.00 85.10 32 A 1 ATOM 247 N N . ALA A 1 33 ? -3.753 5.348 0.564 1.00 96.23 33 A 1 ATOM 248 C CA . ALA A 1 33 ? -2.529 5.948 0.052 1.00 96.07 33 A 1 ATOM 249 C C . ALA A 1 33 ? -1.887 5.092 -1.044 1.00 95.81 33 A 1 ATOM 250 O O . ALA A 1 33 ? -1.501 5.624 -2.081 1.00 95.52 33 A 1 ATOM 251 C CB . ALA A 1 33 ? -1.560 6.159 1.215 1.00 96.22 33 A 1 ATOM 252 N N . ALA A 1 34 ? -1.811 3.769 -0.854 1.00 95.85 34 A 1 ATOM 253 C CA . ALA A 1 34 ? -1.282 2.861 -1.867 1.00 95.54 34 A 1 ATOM 254 C C . ALA A 1 34 ? -2.100 2.914 -3.164 1.00 95.04 34 A 1 ATOM 255 O O . ALA A 1 34 ? -1.513 2.940 -4.239 1.00 94.44 34 A 1 ATOM 256 C CB . ALA A 1 34 ? -1.226 1.444 -1.297 1.00 95.53 34 A 1 ATOM 257 N N . GLN A 1 35 ? -3.423 2.998 -3.075 1.00 95.20 35 A 1 ATOM 258 C CA . GLN A 1 35 ? -4.290 3.158 -4.246 1.00 94.90 35 A 1 ATOM 259 C C . GLN A 1 35 ? -4.049 4.492 -4.964 1.00 94.19 35 A 1 ATOM 260 O O . GLN A 1 35 ? -3.970 4.521 -6.186 1.00 92.85 35 A 1 ATOM 261 C CB . GLN A 1 35 ? -5.761 3.025 -3.834 1.00 94.89 35 A 1 ATOM 262 C CG . GLN A 1 35 ? -6.104 1.581 -3.452 1.00 93.13 35 A 1 ATOM 263 C CD . GLN A 1 35 ? -7.546 1.418 -2.989 1.00 91.30 35 A 1 ATOM 264 O OE1 . GLN A 1 35 ? -8.075 2.168 -2.182 1.00 85.74 35 A 1 ATOM 265 N NE2 . GLN A 1 35 ? -8.234 0.401 -3.466 1.00 83.30 35 A 1 ATOM 266 N N . GLN A 1 36 ? -3.856 5.586 -4.229 1.00 94.14 36 A 1 ATOM 267 C CA . GLN A 1 36 ? -3.524 6.876 -4.846 1.00 93.67 36 A 1 ATOM 268 C C . GLN A 1 36 ? -2.121 6.901 -5.469 1.00 93.35 36 A 1 ATOM 269 O O . GLN A 1 36 ? -1.904 7.569 -6.476 1.00 92.06 36 A 1 ATOM 270 C CB . GLN A 1 36 ? -3.648 8.008 -3.824 1.00 93.43 36 A 1 ATOM 271 C CG . GLN A 1 36 ? -5.105 8.270 -3.416 1.00 86.70 36 A 1 ATOM 272 C CD . GLN A 1 36 ? -5.265 9.548 -2.599 1.00 82.50 36 A 1 ATOM 273 O OE1 . GLN A 1 36 ? -4.423 10.431 -2.572 1.00 75.91 36 A 1 ATOM 274 N NE2 . GLN A 1 36 ? -6.370 9.724 -1.910 1.00 72.33 36 A 1 ATOM 275 N N . ILE A 1 37 ? -1.163 6.190 -4.876 1.00 93.38 37 A 1 ATOM 276 C CA . ILE A 1 37 ? 0.219 6.121 -5.367 1.00 92.99 37 A 1 ATOM 277 C C . ILE A 1 37 ? 0.338 5.200 -6.586 1.00 92.01 37 A 1 ATOM 278 O O . ILE A 1 37 ? 1.053 5.524 -7.529 1.00 90.53 37 A 1 ATOM 279 C CB . ILE A 1 37 ? 1.155 5.674 -4.218 1.00 93.39 37 A 1 ATOM 280 C CG1 . ILE A 1 37 ? 1.280 6.792 -3.151 1.00 93.28 37 A 1 ATOM 281 C CG2 . ILE A 1 37 ? 2.551 5.297 -4.734 1.00 92.96 37 A 1 ATOM 282 C CD1 . ILE A 1 37 ? 1.918 6.330 -1.831 1.00 93.23 37 A 1 ATOM 283 N N . LEU A 1 38 ? -0.319 4.039 -6.554 1.00 92.13 38 A 1 ATOM 284 C CA . LEU A 1 38 ? -0.126 2.946 -7.514 1.00 91.56 38 A 1 ATOM 285 C C . LEU A 1 38 ? -1.278 2.799 -8.518 1.00 90.75 38 A 1 ATOM 286 O O . LEU A 1 38 ? -1.201 1.965 -9.412 1.00 88.60 38 A 1 ATOM 287 C CB . LEU A 1 38 ? 0.107 1.635 -6.742 1.00 91.61 38 A 1 ATOM 288 C CG . LEU A 1 38 ? 1.293 1.666 -5.765 1.00 91.36 38 A 1 ATOM 289 C CD1 . LEU A 1 38 ? 1.304 0.382 -4.937 1.00 90.40 38 A 1 ATOM 290 C CD2 . LEU A 1 38 ? 2.635 1.782 -6.487 1.00 90.47 38 A 1 ATOM 291 N N . GLY A 1 39 ? -2.328 3.600 -8.363 1.00 91.22 39 A 1 ATOM 292 C CA . GLY A 1 39 ? -3.550 3.550 -9.161 1.00 90.78 39 A 1 ATOM 293 C C . GLY A 1 39 ? -4.738 2.961 -8.393 1.00 91.80 39 A 1 ATOM 294 O O . GLY A 1 39 ? -4.591 2.085 -7.535 1.00 90.15 39 A 1 ATOM 295 N N . GLU A 1 40 ? -5.938 3.442 -8.703 1.00 88.87 40 A 1 ATOM 296 C CA . GLU A 1 40 ? -7.180 3.055 -8.011 1.00 88.61 40 A 1 ATOM 297 C C . GLU A 1 40 ? -7.499 1.553 -8.121 1.00 89.44 40 A 1 ATOM 298 O O . GLU A 1 40 ? -8.140 0.989 -7.235 1.00 87.41 40 A 1 ATOM 299 C CB . GLU A 1 40 ? -8.363 3.872 -8.556 1.00 87.91 40 A 1 ATOM 300 C CG . GLU A 1 40 ? -8.247 5.375 -8.241 1.00 81.00 40 A 1 ATOM 301 C CD . GLU A 1 40 ? -9.493 6.187 -8.640 1.00 74.16 40 A 1 ATOM 302 O OE1 . GLU A 1 40 ? -9.565 7.367 -8.218 1.00 67.74 40 A 1 ATOM 303 O OE2 . GLU A 1 40 ? -10.371 5.653 -9.354 1.00 68.20 40 A 1 ATOM 304 N N . GLU A 1 41 ? -7.001 0.902 -9.171 1.00 89.14 41 A 1 ATOM 305 C CA . GLU A 1 41 ? -7.164 -0.541 -9.402 1.00 88.64 41 A 1 ATOM 306 C C . GLU A 1 41 ? -6.235 -1.406 -8.526 1.00 89.52 41 A 1 ATOM 307 O O . GLU A 1 41 ? -6.274 -2.637 -8.587 1.00 87.72 41 A 1 ATOM 308 C CB . GLU A 1 41 ? -6.954 -0.860 -10.894 1.00 87.86 41 A 1 ATOM 309 C CG . GLU A 1 41 ? -7.945 -0.124 -11.820 1.00 79.06 41 A 1 ATOM 310 C CD . GLU A 1 41 ? -7.830 -0.552 -13.294 1.00 70.92 41 A 1 ATOM 311 O OE1 . GLU A 1 41 ? -8.800 -0.297 -14.046 1.00 63.51 41 A 1 ATOM 312 O OE2 . GLU A 1 41 ? -6.784 -1.122 -13.688 1.00 64.95 41 A 1 ATOM 313 N N . PHE A 1 42 ? -5.388 -0.799 -7.699 1.00 90.73 42 A 1 ATOM 314 C CA . PHE A 1 42 ? -4.518 -1.552 -6.800 1.00 90.92 42 A 1 ATOM 315 C C . PHE A 1 42 ? -5.332 -2.246 -5.697 1.00 89.97 42 A 1 ATOM 316 O O . PHE A 1 42 ? -5.822 -1.625 -4.750 1.00 88.07 42 A 1 ATOM 317 C CB . PHE A 1 42 ? -3.423 -0.650 -6.222 1.00 91.26 42 A 1 ATOM 318 C CG . PHE A 1 42 ? -2.529 -1.371 -5.233 1.00 92.07 42 A 1 ATOM 319 C CD1 . PHE A 1 42 ? -2.740 -1.226 -3.848 1.00 91.05 42 A 1 ATOM 320 C CD2 . PHE A 1 42 ? -1.525 -2.237 -5.694 1.00 91.47 42 A 1 ATOM 321 C CE1 . PHE A 1 42 ? -1.954 -1.943 -2.933 1.00 90.29 42 A 1 ATOM 322 C CE2 . PHE A 1 42 ? -0.739 -2.957 -4.778 1.00 90.69 42 A 1 ATOM 323 C CZ . PHE A 1 42 ? -0.955 -2.810 -3.398 1.00 90.72 42 A 1 ATOM 324 N N . GLU A 1 43 ? -5.395 -3.569 -5.767 1.00 90.24 43 A 1 ATOM 325 C CA . GLU A 1 43 ? -6.050 -4.438 -4.775 1.00 88.76 43 A 1 ATOM 326 C C . GLU A 1 43 ? -5.052 -5.274 -3.952 1.00 88.08 43 A 1 ATOM 327 O O . GLU A 1 43 ? -5.420 -6.239 -3.276 1.00 82.45 43 A 1 ATOM 328 C CB . GLU A 1 43 ? -7.092 -5.335 -5.456 1.00 85.77 43 A 1 ATOM 329 C CG . GLU A 1 43 ? -8.240 -4.553 -6.120 1.00 75.44 43 A 1 ATOM 330 C CD . GLU A 1 43 ? -9.418 -5.466 -6.501 1.00 69.61 43 A 1 ATOM 331 O OE1 . GLU A 1 43 ? -10.566 -4.965 -6.490 1.00 62.24 43 A 1 ATOM 332 O OE2 . GLU A 1 43 ? -9.183 -6.678 -6.725 1.00 61.23 43 A 1 ATOM 333 N N . GLY A 1 44 ? -3.771 -4.925 -4.006 1.00 90.27 44 A 1 ATOM 334 C CA . GLY A 1 44 ? -2.715 -5.654 -3.315 1.00 90.42 44 A 1 ATOM 335 C C . GLY A 1 44 ? -2.743 -5.502 -1.790 1.00 91.49 44 A 1 ATOM 336 O O . GLY A 1 44 ? -3.618 -4.880 -1.178 1.00 90.13 44 A 1 ATOM 337 N N . LEU A 1 45 ? -1.742 -6.097 -1.154 1.00 91.02 45 A 1 ATOM 338 C CA . LEU A 1 45 ? -1.545 -6.047 0.288 1.00 91.48 45 A 1 ATOM 339 C C . LEU A 1 45 ? -0.678 -4.844 0.657 1.00 93.17 45 A 1 ATOM 340 O O . LEU A 1 45 ? 0.225 -4.462 -0.081 1.00 92.69 45 A 1 ATOM 341 C CB . LEU A 1 45 ? -0.931 -7.375 0.755 1.00 89.16 45 A 1 ATOM 342 C CG . LEU A 1 45 ? -1.821 -8.604 0.471 1.00 83.84 45 A 1 ATOM 343 C CD1 . LEU A 1 45 ? -1.049 -9.886 0.762 1.00 79.87 45 A 1 ATOM 344 C CD2 . LEU A 1 45 ? -3.093 -8.598 1.324 1.00 78.81 45 A 1 ATOM 345 N N . VAL A 1 46 ? -0.938 -4.259 1.824 1.00 93.15 46 A 1 ATOM 346 C CA . VAL A 1 46 ? -0.116 -3.178 2.376 1.00 94.05 46 A 1 ATOM 347 C C . VAL A 1 46 ? 0.266 -3.555 3.797 1.00 93.60 46 A 1 ATOM 348 O O . VAL A 1 46 ? -0.605 -3.725 4.649 1.00 92.50 46 A 1 ATOM 349 C CB . VAL A 1 46 ? -0.836 -1.821 2.324 1.00 94.34 46 A 1 ATOM 350 C CG1 . VAL A 1 46 ? 0.083 -0.706 2.830 1.00 92.02 46 A 1 ATOM 351 C CG2 . VAL A 1 46 ? -1.256 -1.463 0.895 1.00 92.21 46 A 1 ATOM 352 N N . TYR A 1 47 ? 1.564 -3.697 4.052 1.00 93.50 47 A 1 ATOM 353 C CA . TYR A 1 47 ? 2.090 -4.025 5.370 1.00 93.05 47 A 1 ATOM 354 C C . TYR A 1 47 ? 2.874 -2.862 5.956 1.00 93.87 47 A 1 ATOM 355 O O . TYR A 1 47 ? 3.553 -2.119 5.250 1.00 93.56 47 A 1 ATOM 356 C CB . TYR A 1 47 ? 2.943 -5.292 5.304 1.00 91.09 47 A 1 ATOM 357 C CG . TYR A 1 47 ? 2.205 -6.529 4.821 1.00 87.62 47 A 1 ATOM 358 C CD1 . TYR A 1 47 ? 1.011 -6.951 5.449 1.00 83.94 47 A 1 ATOM 359 C CD2 . TYR A 1 47 ? 2.721 -7.266 3.741 1.00 83.36 47 A 1 ATOM 360 C CE1 . TYR A 1 47 ? 0.340 -8.108 5.004 1.00 79.95 47 A 1 ATOM 361 C CE2 . TYR A 1 47 ? 2.058 -8.425 3.298 1.00 79.80 47 A 1 ATOM 362 C CZ . TYR A 1 47 ? 0.870 -8.848 3.929 1.00 80.18 47 A 1 ATOM 363 O OH . TYR A 1 47 ? 0.241 -9.974 3.505 1.00 76.68 47 A 1 ATOM 364 N N . ARG A 1 48 ? 2.795 -2.730 7.276 1.00 92.81 48 A 1 ATOM 365 C CA . ARG A 1 48 ? 3.680 -1.847 8.029 1.00 92.85 48 A 1 ATOM 366 C C . ARG A 1 48 ? 5.042 -2.522 8.163 1.00 92.37 48 A 1 ATOM 367 O O . ARG A 1 48 ? 5.130 -3.600 8.735 1.00 90.47 48 A 1 ATOM 368 C CB . ARG A 1 48 ? 3.061 -1.540 9.396 1.00 91.90 48 A 1 ATOM 369 C CG . ARG A 1 48 ? 3.918 -0.520 10.161 1.00 89.50 48 A 1 ATOM 370 C CD . ARG A 1 48 ? 3.466 -0.393 11.608 1.00 87.70 48 A 1 ATOM 371 N NE . ARG A 1 48 ? 2.089 0.102 11.740 1.00 81.80 48 A 1 ATOM 372 C CZ . ARG A 1 48 ? 1.729 1.328 12.043 1.00 76.48 48 A 1 ATOM 373 N NH1 . ARG A 1 48 ? 2.574 2.311 12.150 1.00 70.49 48 A 1 ATOM 374 N NH2 . ARG A 1 48 ? 0.483 1.593 12.278 1.00 65.86 48 A 1 ATOM 375 N N . GLU A 1 49 ? 6.085 -1.856 7.694 1.00 92.73 49 A 1 ATOM 376 C CA . GLU A 1 49 ? 7.471 -2.325 7.797 1.00 91.56 49 A 1 ATOM 377 C C . GLU A 1 49 ? 8.134 -1.826 9.087 1.00 91.52 49 A 1 ATOM 378 O O . GLU A 1 49 ? 8.833 -2.562 9.786 1.00 89.04 49 A 1 ATOM 379 C CB . GLU A 1 49 ? 8.253 -1.819 6.579 1.00 90.33 49 A 1 ATOM 380 C CG . GLU A 1 49 ? 7.781 -2.427 5.245 1.00 84.70 49 A 1 ATOM 381 C CD . GLU A 1 49 ? 7.984 -3.946 5.194 1.00 78.56 49 A 1 ATOM 382 O OE1 . GLU A 1 49 ? 7.052 -4.649 4.739 1.00 70.12 49 A 1 ATOM 383 O OE2 . GLU A 1 49 ? 9.076 -4.397 5.606 1.00 70.34 49 A 1 ATOM 384 N N . THR A 1 50 ? 7.903 -0.552 9.427 1.00 92.09 50 A 1 ATOM 385 C CA . THR A 1 50 ? 8.477 0.088 10.618 1.00 90.89 50 A 1 ATOM 386 C C . THR A 1 50 ? 7.515 1.126 11.198 1.00 90.55 50 A 1 ATOM 387 O O . THR A 1 50 ? 6.589 1.570 10.522 1.00 85.61 50 A 1 ATOM 388 C CB . THR A 1 50 ? 9.833 0.763 10.317 1.00 88.05 50 A 1 ATOM 389 O OG1 . THR A 1 50 ? 9.668 1.851 9.438 1.00 80.79 50 A 1 ATOM 390 C CG2 . THR A 1 50 ? 10.879 -0.164 9.702 1.00 80.20 50 A 1 ATOM 391 N N . GLY A 1 51 ? 7.762 1.551 12.444 1.00 88.67 51 A 1 ATOM 392 C CA . GLY A 1 51 ? 7.003 2.608 13.116 1.00 86.13 51 A 1 ATOM 393 C C . GLY A 1 51 ? 6.233 2.117 14.332 1.00 85.16 51 A 1 ATOM 394 O O . GLY A 1 51 ? 6.261 0.936 14.685 1.00 80.58 51 A 1 ATOM 395 N N . GLU A 1 52 ? 5.546 3.057 14.983 1.00 78.63 52 A 1 ATOM 396 C CA . GLU A 1 52 ? 4.775 2.789 16.193 1.00 75.95 52 A 1 ATOM 397 C C . GLU A 1 52 ? 3.410 2.176 15.863 1.00 76.08 52 A 1 ATOM 398 O O . GLU A 1 52 ? 2.894 2.321 14.754 1.00 68.90 52 A 1 ATOM 399 C CB . GLU A 1 52 ? 4.621 4.073 17.012 1.00 69.42 52 A 1 ATOM 400 C CG . GLU A 1 52 ? 5.981 4.620 17.472 1.00 61.15 52 A 1 ATOM 401 C CD . GLU A 1 52 ? 5.853 5.801 18.440 1.00 56.14 52 A 1 ATOM 402 O OE1 . GLU A 1 52 ? 6.898 6.155 19.026 1.00 51.79 52 A 1 ATOM 403 O OE2 . GLU A 1 52 ? 4.728 6.329 18.599 1.00 50.60 52 A 1 ATOM 404 N N . SER A 1 53 ? 2.802 1.497 16.827 1.00 70.88 53 A 1 ATOM 405 C CA . SER A 1 53 ? 1.472 0.900 16.642 1.00 68.86 53 A 1 ATOM 406 C C . SER A 1 53 ? 0.418 1.926 16.225 1.00 69.76 53 A 1 ATOM 407 O O . SER A 1 53 ? -0.480 1.595 15.450 1.00 63.85 53 A 1 ATOM 408 C CB . SER A 1 53 ? 1.034 0.189 17.926 1.00 63.30 53 A 1 ATOM 409 O OG . SER A 1 53 ? 1.133 1.055 19.041 1.00 55.77 53 A 1 ATOM 410 N N . ASN A 1 54 ? 0.565 3.170 16.688 1.00 67.65 54 A 1 ATOM 411 C CA . ASN A 1 54 ? -0.352 4.269 16.419 1.00 66.42 54 A 1 ATOM 412 C C . ASN A 1 54 ? 0.391 5.472 15.825 1.00 68.37 54 A 1 ATOM 413 O O . ASN A 1 54 ? 1.567 5.694 16.111 1.00 62.47 54 A 1 ATOM 414 C CB . ASN A 1 54 ? -1.066 4.649 17.726 1.00 60.32 54 A 1 ATOM 415 C CG . ASN A 1 54 ? -1.920 3.532 18.310 1.00 53.88 54 A 1 ATOM 416 O OD1 . ASN A 1 54 ? -2.308 2.576 17.664 1.00 48.62 54 A 1 ATOM 417 N ND2 . ASN A 1 54 ? -2.242 3.613 19.581 1.00 47.48 54 A 1 ATOM 418 N N . GLY A 1 55 ? -0.307 6.247 15.011 1.00 80.39 55 A 1 ATOM 419 C CA . GLY A 1 55 ? 0.115 7.583 14.582 1.00 83.26 55 A 1 ATOM 420 C C . GLY A 1 55 ? 1.124 7.646 13.441 1.00 87.83 55 A 1 ATOM 421 O O . GLY A 1 55 ? 0.992 8.533 12.604 1.00 84.71 55 A 1 ATOM 422 N N . SER A 1 56 ? 2.113 6.755 13.326 1.00 91.92 56 A 1 ATOM 423 C CA . SER A 1 56 ? 3.150 6.873 12.287 1.00 92.98 56 A 1 ATOM 424 C C . SER A 1 56 ? 3.774 5.534 11.880 1.00 93.79 56 A 1 ATOM 425 O O . SER A 1 56 ? 3.944 4.633 12.704 1.00 91.62 56 A 1 ATOM 426 C CB . SER A 1 56 ? 4.235 7.844 12.767 1.00 89.88 56 A 1 ATOM 427 O OG . SER A 1 56 ? 5.271 7.972 11.816 1.00 79.49 56 A 1 ATOM 428 N N . GLY A 1 57 ? 4.158 5.407 10.611 1.00 94.96 57 A 1 ATOM 429 C CA . GLY A 1 57 ? 4.917 4.250 10.141 1.00 95.39 57 A 1 ATOM 430 C C . GLY A 1 57 ? 5.270 4.265 8.659 1.00 96.32 57 A 1 ATOM 431 O O . GLY A 1 57 ? 4.668 4.981 7.857 1.00 95.81 57 A 1 ATOM 432 N N . MET A 1 58 ? 6.253 3.445 8.301 1.00 96.12 58 A 1 ATOM 433 C CA . MET A 1 58 ? 6.571 3.111 6.911 1.00 96.21 58 A 1 ATOM 434 C C . MET A 1 58 ? 5.743 1.909 6.472 1.00 96.25 58 A 1 ATOM 435 O O . MET A 1 58 ? 5.660 0.915 7.198 1.00 95.45 58 A 1 ATOM 436 C CB . MET A 1 58 ? 8.062 2.801 6.750 1.00 95.27 58 A 1 ATOM 437 C CG . MET A 1 58 ? 8.955 4.021 6.984 1.00 90.42 58 A 1 ATOM 438 S SD . MET A 1 58 ? 8.764 5.404 5.819 1.00 87.05 58 A 1 ATOM 439 C CE . MET A 1 58 ? 9.183 4.596 4.253 1.00 77.26 58 A 1 ATOM 440 N N . PHE A 1 59 ? 5.183 1.999 5.279 1.00 96.05 59 A 1 ATOM 441 C CA . PHE A 1 59 ? 4.361 0.960 4.678 1.00 96.14 59 A 1 ATOM 442 C C . PHE A 1 59 ? 4.909 0.571 3.311 1.00 96.22 59 A 1 ATOM 443 O O . PHE A 1 59 ? 5.425 1.410 2.575 1.00 95.82 59 A 1 ATOM 444 C CB . PHE A 1 59 ? 2.910 1.434 4.586 1.00 95.98 59 A 1 ATOM 445 C CG . PHE A 1 59 ? 2.226 1.589 5.927 1.00 96.09 59 A 1 ATOM 446 C CD1 . PHE A 1 59 ? 1.379 0.573 6.408 1.00 95.16 59 A 1 ATOM 447 C CD2 . PHE A 1 59 ? 2.439 2.745 6.702 1.00 95.45 59 A 1 ATOM 448 C CE1 . PHE A 1 59 ? 0.735 0.714 7.646 1.00 94.60 59 A 1 ATOM 449 C CE2 . PHE A 1 59 ? 1.802 2.883 7.947 1.00 94.65 59 A 1 ATOM 450 C CZ . PHE A 1 59 ? 0.946 1.871 8.414 1.00 94.93 59 A 1 ATOM 451 N N . GLN A 1 60 ? 4.780 -0.703 2.965 1.00 95.62 60 A 1 ATOM 452 C CA . GLN A 1 60 ? 5.138 -1.246 1.658 1.00 95.78 60 A 1 ATOM 453 C C . GLN A 1 60 ? 3.924 -1.951 1.063 1.00 95.72 60 A 1 ATOM 454 O O . GLN A 1 60 ? 3.235 -2.709 1.749 1.00 95.23 60 A 1 ATOM 455 C CB . GLN A 1 60 ? 6.346 -2.181 1.811 1.00 95.31 60 A 1 ATOM 456 C CG . GLN A 1 60 ? 6.797 -2.849 0.505 1.00 93.31 60 A 1 ATOM 457 C CD . GLN A 1 60 ? 7.240 -1.859 -0.566 1.00 92.48 60 A 1 ATOM 458 O OE1 . GLN A 1 60 ? 8.226 -1.162 -0.431 1.00 86.67 60 A 1 ATOM 459 N NE2 . GLN A 1 60 ? 6.530 -1.755 -1.673 1.00 84.19 60 A 1 ATOM 460 N N . ALA A 1 61 ? 3.681 -1.699 -0.215 1.00 95.01 61 A 1 ATOM 461 C CA . ALA A 1 61 ? 2.667 -2.397 -0.986 1.00 95.02 61 A 1 ATOM 462 C C . ALA A 1 61 ? 3.239 -3.672 -1.626 1.00 94.79 61 A 1 ATOM 463 O O . ALA A 1 61 ? 4.406 -3.715 -2.024 1.00 94.00 61 A 1 ATOM 464 C CB . ALA A 1 61 ? 2.081 -1.426 -2.013 1.00 94.66 61 A 1 ATOM 465 N N . TYR A 1 62 ? 2.399 -4.692 -1.737 1.00 93.89 62 A 1 ATOM 466 C CA . TYR A 1 62 ? 2.748 -6.003 -2.271 1.00 93.30 62 A 1 ATOM 467 C C . TYR A 1 62 ? 1.658 -6.534 -3.203 1.00 92.74 62 A 1 ATOM 468 O O . TYR A 1 62 ? 0.464 -6.443 -2.899 1.00 91.40 62 A 1 ATOM 469 C CB . TYR A 1 62 ? 2.966 -6.994 -1.126 1.00 92.59 62 A 1 ATOM 470 C CG . TYR A 1 62 ? 4.132 -6.681 -0.209 1.00 91.50 62 A 1 ATOM 471 C CD1 . TYR A 1 62 ? 5.374 -7.304 -0.422 1.00 89.03 62 A 1 ATOM 472 C CD2 . TYR A 1 62 ? 3.977 -5.787 0.871 1.00 89.94 62 A 1 ATOM 473 C CE1 . TYR A 1 62 ? 6.459 -7.040 0.435 1.00 87.53 62 A 1 ATOM 474 C CE2 . TYR A 1 62 ? 5.065 -5.514 1.728 1.00 88.20 62 A 1 ATOM 475 C CZ . TYR A 1 62 ? 6.307 -6.146 1.510 1.00 88.54 62 A 1 ATOM 476 O OH . TYR A 1 62 ? 7.370 -5.894 2.329 1.00 86.32 62 A 1 ATOM 477 N N . HIS A 1 63 ? 2.072 -7.165 -4.289 1.00 89.57 63 A 1 ATOM 478 C CA . HIS A 1 63 ? 1.197 -8.051 -5.044 1.00 87.42 63 A 1 ATOM 479 C C . HIS A 1 63 ? 1.306 -9.473 -4.508 1.00 86.25 63 A 1 ATOM 480 O O . HIS A 1 63 ? 2.405 -9.990 -4.289 1.00 83.02 63 A 1 ATOM 481 C CB . HIS A 1 63 ? 1.516 -8.006 -6.542 1.00 85.27 63 A 1 ATOM 482 C CG . HIS A 1 63 ? 0.971 -6.774 -7.221 1.00 80.45 63 A 1 ATOM 483 N ND1 . HIS A 1 63 ? -0.303 -6.256 -7.097 1.00 71.56 63 A 1 ATOM 484 C CD2 . HIS A 1 63 ? 1.641 -5.971 -8.104 1.00 70.60 63 A 1 ATOM 485 C CE1 . HIS A 1 63 ? -0.387 -5.168 -7.879 1.00 70.34 63 A 1 ATOM 486 N NE2 . HIS A 1 63 ? 0.768 -4.964 -8.516 1.00 71.51 63 A 1 ATOM 487 N N . HIS A 1 64 ? 0.153 -10.119 -4.347 1.00 82.18 64 A 1 ATOM 488 C CA . HIS A 1 64 ? 0.102 -11.549 -4.088 1.00 78.95 64 A 1 ATOM 489 C C . HIS A 1 64 ? 0.350 -12.305 -5.395 1.00 78.15 64 A 1 ATOM 490 O O . HIS A 1 64 ? -0.392 -12.143 -6.367 1.00 73.32 64 A 1 ATOM 491 C CB . HIS A 1 64 ? -1.248 -11.910 -3.460 1.00 74.13 64 A 1 ATOM 492 C CG . HIS A 1 64 ? -1.256 -13.317 -2.921 1.00 66.30 64 A 1 ATOM 493 N ND1 . HIS A 1 64 ? -0.681 -13.722 -1.737 1.00 58.64 64 A 1 ATOM 494 C CD2 . HIS A 1 64 ? -1.795 -14.428 -3.506 1.00 57.02 64 A 1 ATOM 495 C CE1 . HIS A 1 64 ? -0.869 -15.047 -1.616 1.00 52.92 64 A 1 ATOM 496 N NE2 . HIS A 1 64 ? -1.545 -15.525 -2.669 1.00 53.74 64 A 1 ATOM 497 N N . LEU A 1 65 ? 1.384 -13.143 -5.425 1.00 75.65 65 A 1 ATOM 498 C CA . LEU A 1 65 ? 1.654 -14.016 -6.560 1.00 72.45 65 A 1 ATOM 499 C C . LEU A 1 65 ? 0.859 -15.311 -6.383 1.00 71.11 65 A 1 ATOM 500 O O . LEU A 1 65 ? 0.962 -15.992 -5.361 1.00 65.74 65 A 1 ATOM 501 C CB . LEU A 1 65 ? 3.162 -14.256 -6.711 1.00 68.58 65 A 1 ATOM 502 C CG . LEU A 1 65 ? 4.000 -12.979 -6.938 1.00 63.28 65 A 1 ATOM 503 C CD1 . LEU A 1 65 ? 5.476 -13.348 -7.051 1.00 60.57 65 A 1 ATOM 504 C CD2 . LEU A 1 65 ? 3.599 -12.238 -8.220 1.00 59.26 65 A 1 ATOM 505 N N . HIS A 1 66 ? 0.056 -15.653 -7.395 1.00 70.50 66 A 1 ATOM 506 C CA . HIS A 1 66 ? -0.695 -16.902 -7.394 1.00 67.84 66 A 1 ATOM 507 C C . HIS A 1 66 ? 0.258 -18.107 -7.365 1.00 66.04 66 A 1 ATOM 508 O O . HIS A 1 66 ? 1.038 -18.327 -8.290 1.00 59.84 66 A 1 ATOM 509 C CB . HIS A 1 66 ? -1.638 -16.952 -8.607 1.00 63.67 66 A 1 ATOM 510 C CG . HIS A 1 66 ? -2.795 -15.981 -8.503 1.00 58.36 66 A 1 ATOM 511 N ND1 . HIS A 1 66 ? -3.899 -16.114 -7.690 1.00 52.98 66 A 1 ATOM 512 C CD2 . HIS A 1 66 ? -2.954 -14.815 -9.205 1.00 50.98 66 A 1 ATOM 513 C CE1 . HIS A 1 66 ? -4.703 -15.058 -7.898 1.00 46.99 66 A 1 ATOM 514 N NE2 . HIS A 1 66 ? -4.168 -14.241 -8.815 1.00 47.34 66 A 1 ATOM 515 N N . GLY A 1 67 ? 0.177 -18.907 -6.307 1.00 65.94 67 A 1 ATOM 516 C CA . GLY A 1 67 ? 0.987 -20.110 -6.120 1.00 65.67 67 A 1 ATOM 517 C C . GLY A 1 67 ? 0.648 -20.836 -4.818 1.00 66.02 67 A 1 ATOM 518 O O . GLY A 1 67 ? -0.076 -20.319 -3.968 1.00 61.89 67 A 1 ATOM 519 N N . THR A 1 68 ? 1.178 -22.058 -4.650 1.00 59.29 68 A 1 ATOM 520 C CA . THR A 1 68 ? 0.962 -22.882 -3.442 1.00 59.85 68 A 1 ATOM 521 C C . THR A 1 68 ? 1.669 -22.340 -2.200 1.00 61.11 68 A 1 ATOM 522 O O . THR A 1 68 ? 1.279 -22.660 -1.079 1.00 56.73 68 A 1 ATOM 523 C CB . THR A 1 68 ? 1.434 -24.323 -3.693 1.00 56.07 68 A 1 ATOM 524 O OG1 . THR A 1 68 ? 2.707 -24.315 -4.308 1.00 51.63 68 A 1 ATOM 525 C CG2 . THR A 1 68 ? 0.486 -25.073 -4.633 1.00 52.33 68 A 1 ATOM 526 N N . ASN A 1 69 ? 2.686 -21.507 -2.390 1.00 63.34 69 A 1 ATOM 527 C CA . ASN A 1 69 ? 3.355 -20.781 -1.316 1.00 63.84 69 A 1 ATOM 528 C C . ASN A 1 69 ? 2.934 -19.318 -1.383 1.00 64.25 69 A 1 ATOM 529 O O . ASN A 1 69 ? 2.877 -18.746 -2.473 1.00 61.38 69 A 1 ATOM 530 C CB . ASN A 1 69 ? 4.874 -20.964 -1.443 1.00 60.96 69 A 1 ATOM 531 C CG . ASN A 1 69 ? 5.304 -22.397 -1.168 1.00 55.40 69 A 1 ATOM 532 O OD1 . ASN A 1 69 ? 4.670 -23.147 -0.445 1.00 51.57 69 A 1 ATOM 533 N ND2 . ASN A 1 69 ? 6.412 -22.823 -1.731 1.00 51.24 69 A 1 ATOM 534 N N . ARG A 1 70 ? 2.668 -18.714 -0.227 1.00 65.98 70 A 1 ATOM 535 C CA . ARG A 1 70 ? 2.322 -17.293 -0.095 1.00 65.65 70 A 1 ATOM 536 C C . ARG A 1 70 ? 3.529 -16.445 -0.514 1.00 68.04 70 A 1 ATOM 537 O O . ARG A 1 70 ? 4.329 -16.037 0.318 1.00 65.19 70 A 1 ATOM 538 C CB . ARG A 1 70 ? 1.851 -17.028 1.346 1.00 60.27 70 A 1 ATOM 539 C CG . ARG A 1 70 ? 1.093 -15.698 1.469 1.00 54.16 70 A 1 ATOM 540 C CD . ARG A 1 70 ? 0.661 -15.489 2.918 1.00 51.26 70 A 1 ATOM 541 N NE . ARG A 1 70 ? -0.276 -14.359 3.044 1.00 47.23 70 A 1 ATOM 542 C CZ . ARG A 1 70 ? -0.918 -13.994 4.141 1.00 42.53 70 A 1 ATOM 543 N NH1 . ARG A 1 70 ? -0.746 -14.603 5.282 1.00 40.43 70 A 1 ATOM 544 N NH2 . ARG A 1 70 ? -1.754 -13.000 4.105 1.00 38.57 70 A 1 ATOM 545 N N . THR A 1 71 ? 3.688 -16.273 -1.802 1.00 72.19 71 A 1 ATOM 546 C CA . THR A 1 71 ? 4.771 -15.491 -2.392 1.00 73.73 71 A 1 ATOM 547 C C . THR A 1 71 ? 4.223 -14.107 -2.680 1.00 75.82 71 A 1 ATOM 548 O O . THR A 1 71 ? 3.181 -13.960 -3.316 1.00 72.53 71 A 1 ATOM 549 C CB . THR A 1 71 ? 5.347 -16.152 -3.654 1.00 69.83 71 A 1 ATOM 550 O OG1 . THR A 1 71 ? 5.673 -17.501 -3.393 1.00 62.87 71 A 1 ATOM 551 C CG2 . THR A 1 71 ? 6.641 -15.478 -4.105 1.00 61.79 71 A 1 ATOM 552 N N . GLU A 1 72 ? 4.911 -13.100 -2.172 1.00 79.04 72 A 1 ATOM 553 C CA . GLU A 1 72 ? 4.546 -11.699 -2.327 1.00 81.81 72 A 1 ATOM 554 C C . GLU A 1 72 ? 5.723 -10.978 -2.978 1.00 83.29 72 A 1 ATOM 555 O O . GLU A 1 72 ? 6.886 -11.284 -2.699 1.00 82.78 72 A 1 ATOM 556 C CB . GLU A 1 72 ? 4.162 -11.104 -0.959 1.00 79.33 72 A 1 ATOM 557 C CG . GLU A 1 72 ? 2.843 -11.699 -0.424 1.00 73.53 72 A 1 ATOM 558 C CD . GLU A 1 72 ? 2.522 -11.354 1.042 1.00 72.78 72 A 1 ATOM 559 O OE1 . GLU A 1 72 ? 1.463 -11.821 1.540 1.00 65.87 72 A 1 ATOM 560 O OE2 . GLU A 1 72 ? 3.333 -10.685 1.711 1.00 67.42 72 A 1 ATOM 561 N N . THR A 1 73 ? 5.430 -10.039 -3.859 1.00 87.44 73 A 1 ATOM 562 C CA . THR A 1 73 ? 6.447 -9.165 -4.446 1.00 88.16 73 A 1 ATOM 563 C C . THR A 1 73 ? 6.110 -7.718 -4.134 1.00 89.80 73 A 1 ATOM 564 O O . THR A 1 73 ? 4.944 -7.329 -4.179 1.00 89.12 73 A 1 ATOM 565 C CB . THR A 1 73 ? 6.614 -9.408 -5.952 1.00 85.39 73 A 1 ATOM 566 O OG1 . THR A 1 73 ? 7.715 -8.668 -6.430 1.00 76.43 73 A 1 ATOM 567 C CG2 . THR A 1 73 ? 5.401 -9.029 -6.797 1.00 75.63 73 A 1 ATOM 568 N N . THR A 1 74 ? 7.116 -6.929 -3.810 1.00 89.44 74 A 1 ATOM 569 C CA . THR A 1 74 ? 6.939 -5.499 -3.542 1.00 90.97 74 A 1 ATOM 570 C C . THR A 1 74 ? 6.459 -4.760 -4.785 1.00 90.99 74 A 1 ATOM 571 O O . THR A 1 74 ? 6.889 -5.063 -5.901 1.00 90.36 74 A 1 ATOM 572 C CB . THR A 1 74 ? 8.236 -4.852 -3.042 1.00 90.84 74 A 1 ATOM 573 O OG1 . THR A 1 74 ? 9.286 -5.109 -3.953 1.00 86.84 74 A 1 ATOM 574 C CG2 . THR A 1 74 ? 8.666 -5.401 -1.687 1.00 86.04 74 A 1 ATOM 575 N N . VAL A 1 75 ? 5.613 -3.763 -4.585 1.00 91.26 75 A 1 ATOM 576 C CA . VAL A 1 75 ? 5.117 -2.862 -5.625 1.00 91.50 75 A 1 ATOM 577 C C . VAL A 1 75 ? 5.464 -1.433 -5.234 1.00 92.33 75 A 1 ATOM 578 O O . VAL A 1 75 ? 5.201 -1.017 -4.106 1.00 91.43 75 A 1 ATOM 579 C CB . VAL A 1 75 ? 3.602 -3.002 -5.829 1.00 89.63 75 A 1 ATOM 580 C CG1 . VAL A 1 75 ? 3.164 -2.282 -7.108 1.00 80.63 75 A 1 ATOM 581 C CG2 . VAL A 1 75 ? 3.182 -4.466 -5.948 1.00 81.52 75 A 1 ATOM 582 N N . GLY A 1 76 ? 6.066 -0.688 -6.151 1.00 92.21 76 A 1 ATOM 583 C CA . GLY A 1 76 ? 6.550 0.659 -5.867 1.00 92.41 76 A 1 ATOM 584 C C . GLY A 1 76 ? 7.595 0.689 -4.749 1.00 93.34 76 A 1 ATOM 585 O O . GLY A 1 76 ? 8.273 -0.300 -4.458 1.00 92.44 76 A 1 ATOM 586 N N . TYR A 1 77 ? 7.735 1.848 -4.131 1.00 93.79 77 A 1 ATOM 587 C CA . TYR A 1 77 ? 8.650 2.084 -3.017 1.00 94.14 77 A 1 ATOM 588 C C . TYR A 1 77 ? 7.890 2.218 -1.693 1.00 94.91 77 A 1 ATOM 589 O O . TYR A 1 77 ? 6.722 2.608 -1.695 1.00 94.62 77 A 1 ATOM 590 C CB . TYR A 1 77 ? 9.493 3.328 -3.296 1.00 93.34 77 A 1 ATOM 591 C CG . TYR A 1 77 ? 10.404 3.194 -4.497 1.00 92.25 77 A 1 ATOM 592 C CD1 . TYR A 1 77 ? 11.668 2.585 -4.359 1.00 89.31 77 A 1 ATOM 593 C CD2 . TYR A 1 77 ? 9.982 3.657 -5.759 1.00 89.31 77 A 1 ATOM 594 C CE1 . TYR A 1 77 ? 12.508 2.440 -5.476 1.00 87.47 77 A 1 ATOM 595 C CE2 . TYR A 1 77 ? 10.818 3.509 -6.882 1.00 87.24 77 A 1 ATOM 596 C CZ . TYR A 1 77 ? 12.083 2.902 -6.737 1.00 87.39 77 A 1 ATOM 597 O OH . TYR A 1 77 ? 12.893 2.760 -7.825 1.00 84.81 77 A 1 ATOM 598 N N . PRO A 1 78 ? 8.562 1.978 -0.548 1.00 94.79 78 A 1 ATOM 599 C CA . PRO A 1 78 ? 7.968 2.271 0.748 1.00 95.16 78 A 1 ATOM 600 C C . PRO A 1 78 ? 7.545 3.741 0.858 1.00 95.50 78 A 1 ATOM 601 O O . PRO A 1 78 ? 8.259 4.644 0.413 1.00 94.71 78 A 1 ATOM 602 C CB . PRO A 1 78 ? 9.025 1.914 1.795 1.00 94.23 78 A 1 ATOM 603 C CG . PRO A 1 78 ? 9.928 0.923 1.064 1.00 92.13 78 A 1 ATOM 604 C CD . PRO A 1 78 ? 9.877 1.397 -0.382 1.00 94.46 78 A 1 ATOM 605 N N . PHE A 1 79 ? 6.402 3.981 1.502 1.00 95.32 79 A 1 ATOM 606 C CA . PHE A 1 79 ? 5.854 5.311 1.760 1.00 95.70 79 A 1 ATOM 607 C C . PHE A 1 79 ? 5.541 5.487 3.244 1.00 96.09 79 A 1 ATOM 608 O O . PHE A 1 79 ? 5.351 4.519 3.978 1.00 96.10 79 A 1 ATOM 609 C CB . PHE A 1 79 ? 4.633 5.551 0.862 1.00 95.88 79 A 1 ATOM 610 C CG . PHE A 1 79 ? 3.486 4.582 1.073 1.00 96.35 79 A 1 ATOM 611 C CD1 . PHE A 1 79 ? 3.447 3.367 0.362 1.00 96.07 79 A 1 ATOM 612 C CD2 . PHE A 1 79 ? 2.456 4.892 1.977 1.00 96.18 79 A 1 ATOM 613 C CE1 . PHE A 1 79 ? 2.389 2.468 0.553 1.00 95.79 79 A 1 ATOM 614 C CE2 . PHE A 1 79 ? 1.397 3.991 2.172 1.00 95.81 79 A 1 ATOM 615 C CZ . PHE A 1 79 ? 1.362 2.779 1.460 1.00 96.00 79 A 1 ATOM 616 N N . HIS A 1 80 ? 5.518 6.730 3.702 1.00 95.46 80 A 1 ATOM 617 C CA . HIS A 1 80 ? 5.286 7.050 5.108 1.00 95.84 80 A 1 ATOM 618 C C . HIS A 1 80 ? 3.856 7.544 5.322 1.00 96.15 80 A 1 ATOM 619 O O . HIS A 1 80 ? 3.356 8.347 4.541 1.00 96.02 80 A 1 ATOM 620 C CB . HIS A 1 80 ? 6.327 8.064 5.565 1.00 95.19 80 A 1 ATOM 621 C CG . HIS A 1 80 ? 6.230 8.423 7.021 1.00 91.22 80 A 1 ATOM 622 N ND1 . HIS A 1 80 ? 5.910 9.668 7.521 1.00 80.87 80 A 1 ATOM 623 C CD2 . HIS A 1 80 ? 6.458 7.588 8.073 1.00 80.47 80 A 1 ATOM 624 C CE1 . HIS A 1 80 ? 5.942 9.578 8.858 1.00 80.78 80 A 1 ATOM 625 N NE2 . HIS A 1 80 ? 6.276 8.332 9.235 1.00 82.42 80 A 1 ATOM 626 N N . VAL A 1 81 ? 3.230 7.088 6.395 1.00 96.44 81 A 1 ATOM 627 C CA . VAL A 1 81 ? 1.894 7.501 6.838 1.00 96.77 81 A 1 ATOM 628 C C . VAL A 1 81 ? 2.010 8.041 8.255 1.00 96.65 81 A 1 ATOM 629 O O . VAL A 1 81 ? 2.610 7.386 9.108 1.00 96.20 81 A 1 ATOM 630 C CB . VAL A 1 81 ? 0.895 6.330 6.782 1.00 96.70 81 A 1 ATOM 631 C CG1 . VAL A 1 81 ? -0.528 6.803 7.088 1.00 95.94 81 A 1 ATOM 632 C CG2 . VAL A 1 81 ? 0.894 5.637 5.414 1.00 96.13 81 A 1 ATOM 633 N N . MET A 1 82 ? 1.446 9.227 8.505 1.00 96.47 82 A 1 ATOM 634 C CA . MET A 1 82 ? 1.470 9.893 9.803 1.00 96.13 82 A 1 ATOM 635 C C . MET A 1 82 ? 0.114 10.523 10.105 1.00 96.56 82 A 1 ATOM 636 O O . MET A 1 82 ? -0.412 11.262 9.283 1.00 96.20 82 A 1 ATOM 637 C CB . MET A 1 82 ? 2.583 10.948 9.794 1.00 94.12 82 A 1 ATOM 638 C CG . MET A 1 82 ? 2.759 11.632 11.146 1.00 81.94 82 A 1 ATOM 639 S SD . MET A 1 82 ? 4.095 12.858 11.153 1.00 77.05 82 A 1 ATOM 640 C CE . MET A 1 82 ? 3.270 14.216 10.288 1.00 66.25 82 A 1 ATOM 641 N N . GLU A 1 83 ? -0.429 10.251 11.270 1.00 95.41 83 A 1 ATOM 642 C CA . GLU A 1 83 ? -1.646 10.913 11.762 1.00 94.93 83 A 1 ATOM 643 C C . GLU A 1 83 ? -1.360 12.387 12.083 1.00 94.40 83 A 1 ATOM 644 O O . GLU A 1 83 ? -0.317 12.715 12.650 1.00 93.41 83 A 1 ATOM 645 C CB . GLU A 1 83 ? -2.165 10.136 12.977 1.00 93.96 83 A 1 ATOM 646 C CG . GLU A 1 83 ? -3.562 10.563 13.434 1.00 91.40 83 A 1 ATOM 647 C CD . GLU A 1 83 ? -4.172 9.588 14.465 1.00 88.50 83 A 1 ATOM 648 O OE1 . GLU A 1 83 ? -5.376 9.735 14.762 1.00 81.95 83 A 1 ATOM 649 O OE2 . GLU A 1 83 ? -3.473 8.650 14.913 1.00 81.20 83 A 1 ATOM 650 N N . LEU A 1 84 ? -2.268 13.274 11.682 1.00 94.70 84 A 1 ATOM 651 C CA . LEU A 1 84 ? -2.213 14.711 11.950 1.00 93.97 84 A 1 ATOM 652 C C . LEU A 1 84 ? -2.966 15.094 13.230 1.00 91.73 84 A 1 ATOM 653 O O . LEU A 1 84 ? -3.986 14.455 13.542 1.00 86.94 84 A 1 ATOM 654 C CB . LEU A 1 84 ? -2.746 15.498 10.739 1.00 91.80 84 A 1 ATOM 655 C CG . LEU A 1 84 ? -1.895 15.421 9.461 1.00 90.12 84 A 1 ATOM 656 C CD1 . LEU A 1 84 ? -2.561 16.250 8.360 1.00 87.88 84 A 1 ATOM 657 C CD2 . LEU A 1 84 ? -0.489 15.983 9.674 1.00 87.71 84 A 1 ATOM 658 O OXT . LEU A 1 84 ? -2.492 16.081 13.863 1.00 84.64 84 A 1 #