# 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_acric7 # _entry.id acric7 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n ALA 2 1 n THR 3 1 n VAL 4 1 n THR 5 1 n LYS 6 1 n ILE 7 1 n THR 8 1 n LEU 9 1 n ASN 10 1 n GLY 11 1 n GLN 12 1 n ASN 13 1 n HIS 14 1 n TYR 15 1 n ASN 16 1 n PHE 17 1 n GLY 18 1 n SER 19 1 n GLU 20 1 n CYS 21 1 n SER 22 1 n GLU 23 1 n ALA 24 1 n ASP 25 1 n ALA 26 1 n GLU 27 1 n GLY 28 1 n TYR 29 1 n ARG 30 1 n GLU 31 1 n TRP 32 1 n ILE 33 1 n ALA 34 1 n GLN 35 1 n GLU 36 1 n LEU 37 1 n ALA 38 1 n GLU 39 1 n ASN 40 1 n PHE 41 1 n PRO 42 1 n GLY 43 1 n ALA 44 1 n GLU 45 1 n ILE 46 1 n GLU 47 1 n ILE 48 1 n ASN 49 1 n GLU 50 1 n ALA 51 1 n ASP 52 1 n SER 53 1 n THR 54 1 n TYR 55 1 n SER 56 1 n VAL 57 1 n VAL 58 1 n VAL 59 1 n GLU 60 1 n ILE 61 1 n ASP 62 1 n ASP 63 1 n GLU 64 1 n SER 65 1 n TYR 66 1 n TYR 67 1 n ASP 68 1 n GLU 69 1 n ALA 70 1 n ARG 71 1 n GLY 72 1 n LEU 73 1 n LYS 74 1 n ASP 75 1 n ASP 76 1 n VAL 77 1 n ASN 78 1 n VAL 79 1 n PHE 80 1 n CYS 81 1 n ILE 82 1 n ASP 83 1 n ALA 84 1 n TRP 85 1 n ASP 86 1 n ARG 87 1 n CYS 88 1 n PRO 89 1 n TRP 90 1 n ASP 91 1 n TRP 92 1 n VAL 93 1 n SER 94 # _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 19:37:43)" _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 92.52 _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 79.05 1 1 A ALA 2 2 93.12 1 2 A THR 3 2 94.87 1 3 A VAL 4 2 97.90 1 4 A THR 5 2 97.67 1 5 A LYS 6 2 97.10 1 6 A ILE 7 2 98.55 1 7 A THR 8 2 98.10 1 8 A LEU 9 2 95.08 1 9 A ASN 10 2 97.06 1 10 A GLY 11 2 95.86 1 11 A GLN 12 2 93.90 1 12 A ASN 13 2 92.51 1 13 A HIS 14 2 91.46 1 14 A TYR 15 2 88.97 1 15 A ASN 16 2 91.51 1 16 A PHE 17 2 90.32 1 17 A GLY 18 2 91.07 1 18 A SER 19 2 89.69 1 19 A GLU 20 2 82.17 1 20 A CYS 21 2 90.88 1 21 A SER 22 2 93.13 1 22 A GLU 23 2 85.12 1 23 A ALA 24 2 93.66 1 24 A ASP 25 2 91.16 1 25 A ALA 26 2 95.40 1 26 A GLU 27 2 89.15 1 27 A GLY 28 2 95.33 1 28 A TYR 29 2 95.76 1 29 A ARG 30 2 93.45 1 30 A GLU 31 2 91.06 1 31 A TRP 32 2 96.52 1 32 A ILE 33 2 97.06 1 33 A ALA 34 2 97.95 1 34 A GLN 35 2 88.90 1 35 A GLU 36 2 94.80 1 36 A LEU 37 2 97.95 1 37 A ALA 38 2 97.79 1 38 A GLU 39 2 93.37 1 39 A ASN 40 2 94.65 1 40 A PHE 41 2 97.55 1 41 A PRO 42 2 96.02 1 42 A GLY 43 2 96.73 1 43 A ALA 44 2 98.31 1 44 A GLU 45 2 94.31 1 45 A ILE 46 2 98.02 1 46 A GLU 47 2 94.82 1 47 A ILE 48 2 96.75 1 48 A ASN 49 2 93.79 1 49 A GLU 50 2 93.48 1 50 A ALA 51 2 95.56 1 51 A ASP 52 2 91.29 1 52 A SER 53 2 93.20 1 53 A THR 54 2 93.59 1 54 A TYR 55 2 91.66 1 55 A SER 56 2 93.52 1 56 A VAL 57 2 96.52 1 57 A VAL 58 2 97.64 1 58 A VAL 59 2 97.75 1 59 A GLU 60 2 95.57 1 60 A ILE 61 2 93.65 1 61 A ASP 62 2 93.69 1 62 A ASP 63 2 93.85 1 63 A GLU 64 2 91.81 1 64 A SER 65 2 94.82 1 65 A TYR 66 2 85.93 1 66 A TYR 67 2 90.13 1 67 A ASP 68 2 94.85 1 68 A GLU 69 2 89.53 1 69 A ALA 70 2 96.57 1 70 A ARG 71 2 85.76 1 71 A GLY 72 2 97.80 1 72 A LEU 73 2 96.16 1 73 A LYS 74 2 95.13 1 74 A ASP 75 2 95.50 1 75 A ASP 76 2 95.74 1 76 A VAL 77 2 98.04 1 77 A ASN 78 2 90.74 1 78 A VAL 79 2 97.07 1 79 A PHE 80 2 97.24 1 80 A CYS 81 2 96.54 1 81 A ILE 82 2 92.62 1 82 A ASP 83 2 94.00 1 83 A ALA 84 2 94.60 1 84 A TRP 85 2 85.53 1 85 A ASP 86 2 90.08 1 86 A ARG 87 2 85.64 1 87 A CYS 88 2 93.63 1 88 A PRO 89 2 93.06 1 89 A TRP 90 2 89.58 1 90 A ASP 91 2 85.16 1 91 A TRP 92 2 85.97 1 92 A VAL 93 2 75.91 1 93 A SER 94 2 62.90 1 94 # _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 ALA . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ASN . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n GLN . 12 A 12 A 13 1 n ASN . 13 A 13 A 14 1 n HIS . 14 A 14 A 15 1 n TYR . 15 A 15 A 16 1 n ASN . 16 A 16 A 17 1 n PHE . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n GLU . 20 A 20 A 21 1 n CYS . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n GLU . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n ASP . 25 A 25 A 26 1 n ALA . 26 A 26 A 27 1 n GLU . 27 A 27 A 28 1 n GLY . 28 A 28 A 29 1 n TYR . 29 A 29 A 30 1 n ARG . 30 A 30 A 31 1 n GLU . 31 A 31 A 32 1 n TRP . 32 A 32 A 33 1 n ILE . 33 A 33 A 34 1 n ALA . 34 A 34 A 35 1 n GLN . 35 A 35 A 36 1 n GLU . 36 A 36 A 37 1 n LEU . 37 A 37 A 38 1 n ALA . 38 A 38 A 39 1 n GLU . 39 A 39 A 40 1 n ASN . 40 A 40 A 41 1 n PHE . 41 A 41 A 42 1 n PRO . 42 A 42 A 43 1 n GLY . 43 A 43 A 44 1 n ALA . 44 A 44 A 45 1 n GLU . 45 A 45 A 46 1 n ILE . 46 A 46 A 47 1 n GLU . 47 A 47 A 48 1 n ILE . 48 A 48 A 49 1 n ASN . 49 A 49 A 50 1 n GLU . 50 A 50 A 51 1 n ALA . 51 A 51 A 52 1 n ASP . 52 A 52 A 53 1 n SER . 53 A 53 A 54 1 n THR . 54 A 54 A 55 1 n TYR . 55 A 55 A 56 1 n SER . 56 A 56 A 57 1 n VAL . 57 A 57 A 58 1 n VAL . 58 A 58 A 59 1 n VAL . 59 A 59 A 60 1 n GLU . 60 A 60 A 61 1 n ILE . 61 A 61 A 62 1 n ASP . 62 A 62 A 63 1 n ASP . 63 A 63 A 64 1 n GLU . 64 A 64 A 65 1 n SER . 65 A 65 A 66 1 n TYR . 66 A 66 A 67 1 n TYR . 67 A 67 A 68 1 n ASP . 68 A 68 A 69 1 n GLU . 69 A 69 A 70 1 n ALA . 70 A 70 A 71 1 n ARG . 71 A 71 A 72 1 n GLY . 72 A 72 A 73 1 n LEU . 73 A 73 A 74 1 n LYS . 74 A 74 A 75 1 n ASP . 75 A 75 A 76 1 n ASP . 76 A 76 A 77 1 n VAL . 77 A 77 A 78 1 n ASN . 78 A 78 A 79 1 n VAL . 79 A 79 A 80 1 n PHE . 80 A 80 A 81 1 n CYS . 81 A 81 A 82 1 n ILE . 82 A 82 A 83 1 n ASP . 83 A 83 A 84 1 n ALA . 84 A 84 A 85 1 n TRP . 85 A 85 A 86 1 n ASP . 86 A 86 A 87 1 n ARG . 87 A 87 A 88 1 n CYS . 88 A 88 A 89 1 n PRO . 89 A 89 A 90 1 n TRP . 90 A 90 A 91 1 n ASP . 91 A 91 A 92 1 n TRP . 92 A 92 A 93 1 n VAL . 93 A 93 A 94 1 n SER . 94 A 94 # _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 ? 19.230 9.016 10.709 1.00 84.15 1 A 1 ATOM 2 C CA . MET A 1 1 ? 17.891 9.353 10.180 1.00 89.12 1 A 1 ATOM 3 C C . MET A 1 1 ? 17.322 8.039 9.721 1.00 90.49 1 A 1 ATOM 4 O O . MET A 1 1 ? 18.002 7.380 8.943 1.00 87.03 1 A 1 ATOM 5 C CB . MET A 1 1 ? 17.988 10.383 9.039 1.00 82.40 1 A 1 ATOM 6 C CG . MET A 1 1 ? 16.617 10.821 8.506 1.00 71.54 1 A 1 ATOM 7 S SD . MET A 1 1 ? 16.710 12.099 7.209 1.00 67.60 1 A 1 ATOM 8 C CE . MET A 1 1 ? 17.063 13.571 8.205 1.00 60.10 1 A 1 ATOM 9 N N . ALA A 1 2 ? 16.185 7.651 10.272 1.00 91.43 2 A 1 ATOM 10 C CA . ALA A 1 2 ? 15.536 6.398 9.916 1.00 93.57 2 A 1 ATOM 11 C C . ALA A 1 2 ? 15.063 6.452 8.456 1.00 95.01 2 A 1 ATOM 12 O O . ALA A 1 2 ? 14.704 7.520 7.955 1.00 94.21 2 A 1 ATOM 13 C CB . ALA A 1 2 ? 14.384 6.153 10.898 1.00 91.39 2 A 1 ATOM 14 N N . THR A 1 3 ? 15.074 5.310 7.770 1.00 96.10 3 A 1 ATOM 15 C CA . THR A 1 3 ? 14.629 5.177 6.380 1.00 96.83 3 A 1 ATOM 16 C C . THR A 1 3 ? 13.683 3.995 6.221 1.00 97.45 3 A 1 ATOM 17 O O . THR A 1 3 ? 13.820 2.971 6.892 1.00 97.07 3 A 1 ATOM 18 C CB . THR A 1 3 ? 15.797 5.067 5.387 1.00 95.95 3 A 1 ATOM 19 O OG1 . THR A 1 3 ? 16.626 3.958 5.604 1.00 91.15 3 A 1 ATOM 20 C CG2 . THR A 1 3 ? 16.691 6.313 5.403 1.00 89.54 3 A 1 ATOM 21 N N . VAL A 1 4 ? 12.710 4.148 5.331 1.00 97.57 4 A 1 ATOM 22 C CA . VAL A 1 4 ? 11.827 3.049 4.934 1.00 98.14 4 A 1 ATOM 23 C C . VAL A 1 4 ? 12.632 2.071 4.081 1.00 98.25 4 A 1 ATOM 24 O O . VAL A 1 4 ? 13.221 2.468 3.080 1.00 98.09 4 A 1 ATOM 25 C CB . VAL A 1 4 ? 10.595 3.565 4.169 1.00 98.15 4 A 1 ATOM 26 C CG1 . VAL A 1 4 ? 9.659 2.412 3.790 1.00 97.61 4 A 1 ATOM 27 C CG2 . VAL A 1 4 ? 9.793 4.567 5.013 1.00 97.47 4 A 1 ATOM 28 N N . THR A 1 5 ? 12.660 0.800 4.483 1.00 98.02 5 A 1 ATOM 29 C CA . THR A 1 5 ? 13.394 -0.268 3.786 1.00 98.12 5 A 1 ATOM 30 C C . THR A 1 5 ? 12.477 -1.185 2.995 1.00 98.38 5 A 1 ATOM 31 O O . THR A 1 5 ? 12.899 -1.728 1.977 1.00 98.28 5 A 1 ATOM 32 C CB . THR A 1 5 ? 14.225 -1.107 4.764 1.00 97.89 5 A 1 ATOM 33 O OG1 . THR A 1 5 ? 13.429 -1.596 5.822 1.00 96.89 5 A 1 ATOM 34 C CG2 . THR A 1 5 ? 15.354 -0.287 5.384 1.00 96.13 5 A 1 ATOM 35 N N . LYS A 1 6 ? 11.229 -1.346 3.434 1.00 98.48 6 A 1 ATOM 36 C CA . LYS A 1 6 ? 10.234 -2.151 2.725 1.00 98.64 6 A 1 ATOM 37 C C . LYS A 1 6 ? 8.818 -1.623 2.946 1.00 98.68 6 A 1 ATOM 38 O O . LYS A 1 6 ? 8.465 -1.219 4.054 1.00 98.56 6 A 1 ATOM 39 C CB . LYS A 1 6 ? 10.387 -3.617 3.158 1.00 98.52 6 A 1 ATOM 40 C CG . LYS A 1 6 ? 9.434 -4.544 2.396 1.00 97.99 6 A 1 ATOM 41 C CD . LYS A 1 6 ? 9.756 -6.014 2.659 1.00 97.22 6 A 1 ATOM 42 C CE . LYS A 1 6 ? 8.783 -6.831 1.815 1.00 94.72 6 A 1 ATOM 43 N NZ . LYS A 1 6 ? 9.152 -8.255 1.720 1.00 91.09 6 A 1 ATOM 44 N N . ILE A 1 7 ? 8.004 -1.680 1.896 1.00 98.64 7 A 1 ATOM 45 C CA . ILE A 1 7 ? 6.565 -1.406 1.937 1.00 98.68 7 A 1 ATOM 46 C C . ILE A 1 7 ? 5.845 -2.605 1.324 1.00 98.60 7 A 1 ATOM 47 O O . ILE A 1 7 ? 6.084 -2.957 0.172 1.00 98.43 7 A 1 ATOM 48 C CB . ILE A 1 7 ? 6.219 -0.099 1.193 1.00 98.72 7 A 1 ATOM 49 C CG1 . ILE A 1 7 ? 6.978 1.105 1.798 1.00 98.50 7 A 1 ATOM 50 C CG2 . ILE A 1 7 ? 4.694 0.139 1.235 1.00 98.54 7 A 1 ATOM 51 C CD1 . ILE A 1 7 ? 6.879 2.387 0.972 1.00 98.29 7 A 1 ATOM 52 N N . THR A 1 8 ? 4.951 -3.213 2.093 1.00 98.47 8 A 1 ATOM 53 C CA . THR A 1 8 ? 4.089 -4.305 1.630 1.00 98.39 8 A 1 ATOM 54 C C . THR A 1 8 ? 2.638 -3.842 1.640 1.00 98.24 8 A 1 ATOM 55 O O . THR A 1 8 ? 2.119 -3.471 2.696 1.00 97.97 8 A 1 ATOM 56 C CB . THR A 1 8 ? 4.258 -5.560 2.501 1.00 98.32 8 A 1 ATOM 57 O OG1 . THR A 1 8 ? 5.600 -5.977 2.561 1.00 97.67 8 A 1 ATOM 58 C CG2 . THR A 1 8 ? 3.447 -6.743 1.978 1.00 97.62 8 A 1 ATOM 59 N N . LEU A 1 9 ? 1.974 -3.902 0.486 1.00 97.88 9 A 1 ATOM 60 C CA . LEU A 1 9 ? 0.526 -3.724 0.365 1.00 97.69 9 A 1 ATOM 61 C C . LEU A 1 9 ? -0.145 -5.088 0.221 1.00 97.71 9 A 1 ATOM 62 O O . LEU A 1 9 ? 0.192 -5.855 -0.678 1.00 97.00 9 A 1 ATOM 63 C CB . LEU A 1 9 ? 0.170 -2.821 -0.826 1.00 96.91 9 A 1 ATOM 64 C CG . LEU A 1 9 ? 0.719 -1.387 -0.765 1.00 93.23 9 A 1 ATOM 65 C CD1 . LEU A 1 9 ? 0.082 -0.567 -1.891 1.00 89.99 9 A 1 ATOM 66 C CD2 . LEU A 1 9 ? 0.389 -0.697 0.555 1.00 90.27 9 A 1 ATOM 67 N N . ASN A 1 10 ? -1.111 -5.377 1.093 1.00 97.70 10 A 1 ATOM 68 C CA . ASN A 1 10 ? -1.888 -6.611 1.081 1.00 97.58 10 A 1 ATOM 69 C C . ASN A 1 10 ? -3.333 -6.352 0.640 1.00 97.12 10 A 1 ATOM 70 O O . ASN A 1 10 ? -3.854 -5.244 0.779 1.00 96.44 10 A 1 ATOM 71 C CB . ASN A 1 10 ? -1.834 -7.259 2.470 1.00 97.75 10 A 1 ATOM 72 C CG . ASN A 1 10 ? -0.422 -7.568 2.929 1.00 97.84 10 A 1 ATOM 73 O OD1 . ASN A 1 10 ? 0.285 -8.388 2.360 1.00 95.88 10 A 1 ATOM 74 N ND2 . ASN A 1 10 ? 0.023 -6.933 3.990 1.00 96.20 10 A 1 ATOM 75 N N . GLY A 1 11 ? -3.998 -7.406 0.164 1.00 96.57 11 A 1 ATOM 76 C CA . GLY A 1 11 ? -5.406 -7.344 -0.229 1.00 95.94 11 A 1 ATOM 77 C C . GLY A 1 11 ? -5.652 -6.584 -1.536 1.00 96.10 11 A 1 ATOM 78 O O . GLY A 1 11 ? -6.760 -6.098 -1.758 1.00 94.83 11 A 1 ATOM 79 N N . GLN A 1 12 ? -4.650 -6.476 -2.389 1.00 96.13 12 A 1 ATOM 80 C CA . GLN A 1 12 ? -4.722 -5.739 -3.658 1.00 96.19 12 A 1 ATOM 81 C C . GLN A 1 12 ? -5.360 -6.602 -4.770 1.00 96.12 12 A 1 ATOM 82 O O . GLN A 1 12 ? -4.758 -6.866 -5.810 1.00 94.72 12 A 1 ATOM 83 C CB . GLN A 1 12 ? -3.336 -5.197 -4.040 1.00 96.10 12 A 1 ATOM 84 C CG . GLN A 1 12 ? -2.684 -4.310 -2.967 1.00 95.26 12 A 1 ATOM 85 C CD . GLN A 1 12 ? -3.566 -3.145 -2.540 1.00 94.55 12 A 1 ATOM 86 O OE1 . GLN A 1 12 ? -3.922 -2.287 -3.319 1.00 88.81 12 A 1 ATOM 87 N NE2 . GLN A 1 12 ? -3.961 -3.073 -1.282 1.00 87.18 12 A 1 ATOM 88 N N . ASN A 1 13 ? -6.572 -7.097 -4.530 1.00 95.56 13 A 1 ATOM 89 C CA . ASN A 1 13 ? -7.342 -7.909 -5.473 1.00 94.99 13 A 1 ATOM 90 C C . ASN A 1 13 ? -8.675 -7.232 -5.824 1.00 94.87 13 A 1 ATOM 91 O O . ASN A 1 13 ? -9.199 -6.416 -5.064 1.00 94.00 13 A 1 ATOM 92 C CB . ASN A 1 13 ? -7.525 -9.326 -4.901 1.00 94.35 13 A 1 ATOM 93 C CG . ASN A 1 13 ? -8.409 -9.361 -3.672 1.00 92.79 13 A 1 ATOM 94 O OD1 . ASN A 1 13 ? -9.604 -9.125 -3.740 1.00 86.27 13 A 1 ATOM 95 N ND2 . ASN A 1 13 ? -7.855 -9.654 -2.517 1.00 87.22 13 A 1 ATOM 96 N N . HIS A 1 14 ? -9.254 -7.613 -6.967 1.00 95.01 14 A 1 ATOM 97 C CA . HIS A 1 14 ? -10.486 -7.006 -7.481 1.00 94.64 14 A 1 ATOM 98 C C . HIS A 1 14 ? -11.701 -7.159 -6.550 1.00 94.39 14 A 1 ATOM 99 O O . HIS A 1 14 ? -12.570 -6.289 -6.542 1.00 93.54 14 A 1 ATOM 100 C CB . HIS A 1 14 ? -10.783 -7.577 -8.871 1.00 94.28 14 A 1 ATOM 101 C CG . HIS A 1 14 ? -11.143 -9.040 -8.883 1.00 93.27 14 A 1 ATOM 102 N ND1 . HIS A 1 14 ? -10.263 -10.094 -8.903 1.00 87.00 14 A 1 ATOM 103 C CD2 . HIS A 1 14 ? -12.407 -9.569 -8.917 1.00 86.93 14 A 1 ATOM 104 C CE1 . HIS A 1 14 ? -10.978 -11.230 -8.961 1.00 86.94 14 A 1 ATOM 105 N NE2 . HIS A 1 14 ? -12.290 -10.963 -8.966 1.00 88.62 14 A 1 ATOM 106 N N . TYR A 1 15 ? -11.758 -8.212 -5.714 1.00 94.69 15 A 1 ATOM 107 C CA . TYR A 1 15 ? -12.853 -8.377 -4.748 1.00 94.03 15 A 1 ATOM 108 C C . TYR A 1 15 ? -12.829 -7.294 -3.665 1.00 93.69 15 A 1 ATOM 109 O O . TYR A 1 15 ? -13.885 -6.806 -3.258 1.00 91.84 15 A 1 ATOM 110 C CB . TYR A 1 15 ? -12.784 -9.761 -4.082 1.00 93.58 15 A 1 ATOM 111 C CG . TYR A 1 15 ? -12.871 -10.936 -5.037 1.00 91.22 15 A 1 ATOM 112 C CD1 . TYR A 1 15 ? -14.080 -11.191 -5.718 1.00 86.78 15 A 1 ATOM 113 C CD2 . TYR A 1 15 ? -11.758 -11.771 -5.243 1.00 86.78 15 A 1 ATOM 114 C CE1 . TYR A 1 15 ? -14.170 -12.278 -6.610 1.00 84.06 15 A 1 ATOM 115 C CE2 . TYR A 1 15 ? -11.847 -12.858 -6.136 1.00 84.48 15 A 1 ATOM 116 C CZ . TYR A 1 15 ? -13.054 -13.110 -6.822 1.00 84.41 15 A 1 ATOM 117 O OH . TYR A 1 15 ? -13.136 -14.152 -7.695 1.00 82.02 15 A 1 ATOM 118 N N . ASN A 1 16 ? -11.634 -6.891 -3.215 1.00 94.32 16 A 1 ATOM 119 C CA . ASN A 1 16 ? -11.465 -5.823 -2.232 1.00 93.51 16 A 1 ATOM 120 C C . ASN A 1 16 ? -11.687 -4.430 -2.838 1.00 92.76 16 A 1 ATOM 121 O O . ASN A 1 16 ? -12.067 -3.509 -2.120 1.00 91.09 16 A 1 ATOM 122 C CB . ASN A 1 16 ? -10.074 -5.948 -1.594 1.00 93.48 16 A 1 ATOM 123 C CG . ASN A 1 16 ? -9.958 -7.142 -0.664 1.00 91.93 16 A 1 ATOM 124 O OD1 . ASN A 1 16 ? -10.930 -7.705 -0.179 1.00 87.57 16 A 1 ATOM 125 N ND2 . ASN A 1 16 ? -8.750 -7.557 -0.368 1.00 87.42 16 A 1 ATOM 126 N N . PHE A 1 17 ? -11.501 -4.288 -4.148 1.00 92.24 17 A 1 ATOM 127 C CA . PHE A 1 17 ? -11.725 -3.031 -4.863 1.00 91.40 17 A 1 ATOM 128 C C . PHE A 1 17 ? -13.203 -2.779 -5.212 1.00 89.41 17 A 1 ATOM 129 O O . PHE A 1 17 ? -13.581 -1.663 -5.551 1.00 84.73 17 A 1 ATOM 130 C CB . PHE A 1 17 ? -10.814 -3.003 -6.092 1.00 91.80 17 A 1 ATOM 131 C CG . PHE A 1 17 ? -9.312 -3.005 -5.823 1.00 92.75 17 A 1 ATOM 132 C CD1 . PHE A 1 17 ? -8.769 -2.852 -4.531 1.00 90.05 17 A 1 ATOM 133 C CD2 . PHE A 1 17 ? -8.437 -3.142 -6.918 1.00 90.64 17 A 1 ATOM 134 C CE1 . PHE A 1 17 ? -7.377 -2.842 -4.334 1.00 89.53 17 A 1 ATOM 135 C CE2 . PHE A 1 17 ? -7.048 -3.126 -6.723 1.00 90.13 17 A 1 ATOM 136 C CZ . PHE A 1 17 ? -6.517 -2.976 -5.433 1.00 90.82 17 A 1 ATOM 137 N N . GLY A 1 18 ? -14.065 -3.790 -5.048 1.00 91.43 18 A 1 ATOM 138 C CA . GLY A 1 18 ? -15.510 -3.667 -5.224 1.00 90.77 18 A 1 ATOM 139 C C . GLY A 1 18 ? -16.024 -4.318 -6.504 1.00 91.71 18 A 1 ATOM 140 O O . GLY A 1 18 ? -15.271 -4.704 -7.388 1.00 90.37 18 A 1 ATOM 141 N N . SER A 1 19 ? -17.347 -4.464 -6.594 1.00 90.83 19 A 1 ATOM 142 C CA . SER A 1 19 ? -18.016 -5.259 -7.639 1.00 90.91 19 A 1 ATOM 143 C C . SER A 1 19 ? -17.837 -4.742 -9.068 1.00 90.69 19 A 1 ATOM 144 O O . SER A 1 19 ? -18.058 -5.496 -10.007 1.00 89.08 19 A 1 ATOM 145 C CB . SER A 1 19 ? -19.519 -5.346 -7.351 1.00 90.78 19 A 1 ATOM 146 O OG . SER A 1 19 ? -20.096 -4.054 -7.228 1.00 85.84 19 A 1 ATOM 147 N N . GLU A 1 20 ? -17.478 -3.485 -9.224 1.00 89.80 20 A 1 ATOM 148 C CA . GLU A 1 20 ? -17.270 -2.852 -10.531 1.00 89.40 20 A 1 ATOM 149 C C . GLU A 1 20 ? -15.814 -2.960 -11.012 1.00 89.92 20 A 1 ATOM 150 O O . GLU A 1 20 ? -15.520 -2.622 -12.153 1.00 88.08 20 A 1 ATOM 151 C CB . GLU A 1 20 ? -17.712 -1.379 -10.466 1.00 87.78 20 A 1 ATOM 152 C CG . GLU A 1 20 ? -19.147 -1.154 -9.956 1.00 81.79 20 A 1 ATOM 153 C CD . GLU A 1 20 ? -20.221 -1.889 -10.768 1.00 75.45 20 A 1 ATOM 154 O OE1 . GLU A 1 20 ? -20.997 -2.657 -10.141 1.00 68.31 20 A 1 ATOM 155 O OE2 . GLU A 1 20 ? -20.289 -1.672 -11.994 1.00 68.99 20 A 1 ATOM 156 N N . CYS A 1 21 ? -14.907 -3.421 -10.147 1.00 91.63 21 A 1 ATOM 157 C CA . CYS A 1 21 ? -13.497 -3.574 -10.483 1.00 92.05 21 A 1 ATOM 158 C C . CYS A 1 21 ? -13.240 -4.971 -11.061 1.00 92.74 21 A 1 ATOM 159 O O . CYS A 1 21 ? -13.488 -5.986 -10.402 1.00 92.47 21 A 1 ATOM 160 C CB . CYS A 1 21 ? -12.656 -3.288 -9.238 1.00 90.88 21 A 1 ATOM 161 S SG . CYS A 1 21 ? -10.895 -3.230 -9.664 1.00 85.53 21 A 1 ATOM 162 N N . SER A 1 22 ? -12.743 -5.035 -12.289 1.00 92.99 22 A 1 ATOM 163 C CA . SER A 1 22 ? -12.313 -6.287 -12.908 1.00 93.45 22 A 1 ATOM 164 C C . SER A 1 22 ? -10.909 -6.692 -12.450 1.00 93.98 22 A 1 ATOM 165 O O . SER A 1 22 ? -10.167 -5.898 -11.881 1.00 94.17 22 A 1 ATOM 166 C CB . SER A 1 22 ? -12.399 -6.169 -14.434 1.00 93.31 22 A 1 ATOM 167 O OG . SER A 1 22 ? -11.364 -5.373 -14.950 1.00 90.88 22 A 1 ATOM 168 N N . GLU A 1 23 ? -10.510 -7.944 -12.729 1.00 93.85 23 A 1 ATOM 169 C CA . GLU A 1 23 ? -9.134 -8.384 -12.457 1.00 93.97 23 A 1 ATOM 170 C C . GLU A 1 23 ? -8.101 -7.561 -13.235 1.00 94.51 23 A 1 ATOM 171 O O . GLU A 1 23 ? -7.053 -7.226 -12.696 1.00 94.40 23 A 1 ATOM 172 C CB . GLU A 1 23 ? -9.005 -9.882 -12.773 1.00 93.31 23 A 1 ATOM 173 C CG . GLU A 1 23 ? -7.624 -10.466 -12.405 1.00 82.26 23 A 1 ATOM 174 C CD . GLU A 1 23 ? -7.266 -10.230 -10.921 1.00 76.29 23 A 1 ATOM 175 O OE1 . GLU A 1 23 ? -6.108 -9.856 -10.633 1.00 68.68 23 A 1 ATOM 176 O OE2 . GLU A 1 23 ? -8.176 -10.391 -10.068 1.00 68.79 23 A 1 ATOM 177 N N . ALA A 1 24 ? -8.422 -7.178 -14.477 1.00 93.94 24 A 1 ATOM 178 C CA . ALA A 1 24 ? -7.541 -6.335 -15.286 1.00 93.67 24 A 1 ATOM 179 C C . ALA A 1 24 ? -7.382 -4.925 -14.690 1.00 94.17 24 A 1 ATOM 180 O O . ALA A 1 24 ? -6.286 -4.374 -14.689 1.00 93.65 24 A 1 ATOM 181 C CB . ALA A 1 24 ? -8.101 -6.282 -16.712 1.00 92.89 24 A 1 ATOM 182 N N . ASP A 1 25 ? -8.456 -4.365 -14.119 1.00 93.72 25 A 1 ATOM 183 C CA . ASP A 1 25 ? -8.383 -3.069 -13.434 1.00 93.41 25 A 1 ATOM 184 C C . ASP A 1 25 ? -7.518 -3.168 -12.171 1.00 94.20 25 A 1 ATOM 185 O O . ASP A 1 25 ? -6.691 -2.294 -11.904 1.00 94.00 25 A 1 ATOM 186 C CB . ASP A 1 25 ? -9.791 -2.577 -13.052 1.00 92.17 25 A 1 ATOM 187 C CG . ASP A 1 25 ? -10.754 -2.493 -14.236 1.00 89.32 25 A 1 ATOM 188 O OD1 . ASP A 1 25 ? -10.337 -2.035 -15.316 1.00 86.86 25 A 1 ATOM 189 O OD2 . ASP A 1 25 ? -11.894 -2.997 -14.074 1.00 85.59 25 A 1 ATOM 190 N N . ALA A 1 26 ? -7.673 -4.263 -11.408 1.00 94.87 26 A 1 ATOM 191 C CA . ALA A 1 26 ? -6.870 -4.522 -10.223 1.00 95.27 26 A 1 ATOM 192 C C . ALA A 1 26 ? -5.387 -4.738 -10.563 1.00 95.74 26 A 1 ATOM 193 O O . ALA A 1 26 ? -4.519 -4.241 -9.847 1.00 96.02 26 A 1 ATOM 194 C CB . ALA A 1 26 ? -7.462 -5.730 -9.486 1.00 95.11 26 A 1 ATOM 195 N N . GLU A 1 27 ? -5.093 -5.445 -11.652 1.00 95.64 27 A 1 ATOM 196 C CA . GLU A 1 27 ? -3.723 -5.613 -12.157 1.00 95.69 27 A 1 ATOM 197 C C . GLU A 1 27 ? -3.096 -4.262 -12.528 1.00 95.99 27 A 1 ATOM 198 O O . GLU A 1 27 ? -2.023 -3.934 -12.020 1.00 96.00 27 A 1 ATOM 199 C CB . GLU A 1 27 ? -3.740 -6.603 -13.334 1.00 95.20 27 A 1 ATOM 200 C CG . GLU A 1 27 ? -2.329 -6.918 -13.872 1.00 87.02 27 A 1 ATOM 201 C CD . GLU A 1 27 ? -2.331 -8.065 -14.905 1.00 83.58 27 A 1 ATOM 202 O OE1 . GLU A 1 27 ? -1.289 -8.754 -15.017 1.00 76.25 27 A 1 ATOM 203 O OE2 . GLU A 1 27 ? -3.374 -8.292 -15.563 1.00 76.98 27 A 1 ATOM 204 N N . GLY A 1 28 ? -3.808 -3.438 -13.297 1.00 95.13 28 A 1 ATOM 205 C CA . GLY A 1 28 ? -3.342 -2.095 -13.647 1.00 95.01 28 A 1 ATOM 206 C C . GLY A 1 28 ? -3.092 -1.215 -12.420 1.00 95.62 28 A 1 ATOM 207 O O . GLY A 1 28 ? -2.068 -0.536 -12.332 1.00 95.56 28 A 1 ATOM 208 N N . TYR A 1 29 ? -3.977 -1.287 -11.414 1.00 95.80 29 A 1 ATOM 209 C CA . TYR A 1 29 ? -3.765 -0.577 -10.148 1.00 96.21 29 A 1 ATOM 210 C C . TYR A 1 29 ? -2.518 -1.072 -9.408 1.00 96.74 29 A 1 ATOM 211 O O . TYR A 1 29 ? -1.747 -0.251 -8.909 1.00 96.98 29 A 1 ATOM 212 C CB . TYR A 1 29 ? -5.003 -0.695 -9.255 1.00 96.12 29 A 1 ATOM 213 C CG . TYR A 1 29 ? -4.849 0.055 -7.942 1.00 96.27 29 A 1 ATOM 214 C CD1 . TYR A 1 29 ? -4.395 -0.614 -6.787 1.00 95.36 29 A 1 ATOM 215 C CD2 . TYR A 1 29 ? -5.108 1.437 -7.889 1.00 95.60 29 A 1 ATOM 216 C CE1 . TYR A 1 29 ? -4.207 0.098 -5.586 1.00 95.07 29 A 1 ATOM 217 C CE2 . TYR A 1 29 ? -4.924 2.152 -6.692 1.00 95.10 29 A 1 ATOM 218 C CZ . TYR A 1 29 ? -4.470 1.483 -5.537 1.00 95.39 29 A 1 ATOM 219 O OH . TYR A 1 29 ? -4.286 2.175 -4.379 1.00 94.54 29 A 1 ATOM 220 N N . ARG A 1 30 ? -2.301 -2.393 -9.338 1.00 96.31 30 A 1 ATOM 221 C CA . ARG A 1 30 ? -1.111 -2.968 -8.683 1.00 96.93 30 A 1 ATOM 222 C C . ARG A 1 30 ? 0.186 -2.504 -9.340 1.00 97.23 30 A 1 ATOM 223 O O . ARG A 1 30 ? 1.130 -2.161 -8.630 1.00 97.48 30 A 1 ATOM 224 C CB . ARG A 1 30 ? -1.178 -4.507 -8.688 1.00 96.89 30 A 1 ATOM 225 C CG . ARG A 1 30 ? -2.195 -5.069 -7.694 1.00 95.73 30 A 1 ATOM 226 C CD . ARG A 1 30 ? -2.177 -6.596 -7.640 1.00 95.03 30 A 1 ATOM 227 N NE . ARG A 1 30 ? -2.481 -7.259 -8.927 1.00 91.73 30 A 1 ATOM 228 C CZ . ARG A 1 30 ? -3.589 -7.910 -9.260 1.00 91.50 30 A 1 ATOM 229 N NH1 . ARG A 1 30 ? -4.656 -7.930 -8.528 1.00 83.77 30 A 1 ATOM 230 N NH2 . ARG A 1 30 ? -3.647 -8.601 -10.356 1.00 85.34 30 A 1 ATOM 231 N N . GLU A 1 31 ? 0.226 -2.459 -10.668 1.00 96.71 31 A 1 ATOM 232 C CA . GLU A 1 31 ? 1.387 -1.954 -11.408 1.00 96.43 31 A 1 ATOM 233 C C . GLU A 1 31 ? 1.619 -0.461 -11.135 1.00 96.80 31 A 1 ATOM 234 O O . GLU A 1 31 ? 2.730 -0.050 -10.788 1.00 96.64 31 A 1 ATOM 235 C CB . GLU A 1 31 ? 1.196 -2.186 -12.914 1.00 95.88 31 A 1 ATOM 236 C CG . GLU A 1 31 ? 1.256 -3.675 -13.296 1.00 90.35 31 A 1 ATOM 237 C CD . GLU A 1 31 ? 1.200 -3.909 -14.818 1.00 86.41 31 A 1 ATOM 238 O OE1 . GLU A 1 31 ? 1.577 -5.030 -15.232 1.00 79.82 31 A 1 ATOM 239 O OE2 . GLU A 1 31 ? 0.870 -2.961 -15.573 1.00 80.50 31 A 1 ATOM 240 N N . TRP A 1 32 ? 0.557 0.336 -11.211 1.00 96.84 32 A 1 ATOM 241 C CA . TRP A 1 32 ? 0.633 1.777 -10.974 1.00 97.03 32 A 1 ATOM 242 C C . TRP A 1 32 ? 1.074 2.106 -9.542 1.00 97.41 32 A 1 ATOM 243 O O . TRP A 1 32 ? 2.014 2.873 -9.352 1.00 97.52 32 A 1 ATOM 244 C CB . TRP A 1 32 ? -0.724 2.411 -11.304 1.00 97.00 32 A 1 ATOM 245 C CG . TRP A 1 32 ? -0.795 3.867 -10.968 1.00 96.85 32 A 1 ATOM 246 C CD1 . TRP A 1 32 ? -0.319 4.874 -11.732 1.00 96.13 32 A 1 ATOM 247 C CD2 . TRP A 1 32 ? -1.295 4.489 -9.746 1.00 96.95 32 A 1 ATOM 248 N NE1 . TRP A 1 32 ? -0.490 6.074 -11.074 1.00 95.95 32 A 1 ATOM 249 C CE2 . TRP A 1 32 ? -1.078 5.896 -9.843 1.00 96.46 32 A 1 ATOM 250 C CE3 . TRP A 1 32 ? -1.891 4.001 -8.563 1.00 96.28 32 A 1 ATOM 251 C CZ2 . TRP A 1 32 ? -1.431 6.784 -8.810 1.00 95.56 32 A 1 ATOM 252 C CZ3 . TRP A 1 32 ? -2.252 4.883 -7.522 1.00 95.88 32 A 1 ATOM 253 C CH2 . TRP A 1 32 ? -2.019 6.273 -7.642 1.00 95.45 32 A 1 ATOM 254 N N . ILE A 1 33 ? 0.454 1.497 -8.520 1.00 97.40 33 A 1 ATOM 255 C CA . ILE A 1 33 ? 0.803 1.799 -7.122 1.00 97.62 33 A 1 ATOM 256 C C . ILE A 1 33 ? 2.219 1.332 -6.769 1.00 97.91 33 A 1 ATOM 257 O O . ILE A 1 33 ? 2.908 2.005 -5.997 1.00 98.05 33 A 1 ATOM 258 C CB . ILE A 1 33 ? -0.259 1.255 -6.135 1.00 97.49 33 A 1 ATOM 259 C CG1 . ILE A 1 33 ? -0.081 1.775 -4.690 1.00 96.59 33 A 1 ATOM 260 C CG2 . ILE A 1 33 ? -0.274 -0.284 -6.073 1.00 96.41 33 A 1 ATOM 261 C CD1 . ILE A 1 33 ? -0.086 3.290 -4.549 1.00 95.04 33 A 1 ATOM 262 N N . ALA A 1 34 ? 2.689 0.222 -7.352 1.00 97.90 34 A 1 ATOM 263 C CA . ALA A 1 34 ? 4.065 -0.229 -7.169 1.00 98.00 34 A 1 ATOM 264 C C . ALA A 1 34 ? 5.069 0.802 -7.702 1.00 98.00 34 A 1 ATOM 265 O O . ALA A 1 34 ? 6.062 1.098 -7.034 1.00 97.92 34 A 1 ATOM 266 C CB . ALA A 1 34 ? 4.238 -1.589 -7.857 1.00 97.92 34 A 1 ATOM 267 N N . GLN A 1 35 ? 4.788 1.376 -8.873 1.00 98.02 35 A 1 ATOM 268 C CA . GLN A 1 35 ? 5.611 2.439 -9.451 1.00 97.76 35 A 1 ATOM 269 C C . GLN A 1 35 ? 5.580 3.712 -8.593 1.00 97.99 35 A 1 ATOM 270 O O . GLN A 1 35 ? 6.638 4.236 -8.240 1.00 97.77 35 A 1 ATOM 271 C CB . GLN A 1 35 ? 5.165 2.701 -10.895 1.00 97.02 35 A 1 ATOM 272 C CG . GLN A 1 35 ? 6.061 3.770 -11.538 1.00 86.39 35 A 1 ATOM 273 C CD . GLN A 1 35 ? 5.741 4.071 -12.995 1.00 81.60 35 A 1 ATOM 274 O OE1 . GLN A 1 35 ? 4.986 3.410 -13.681 1.00 74.11 35 A 1 ATOM 275 N NE2 . GLN A 1 35 ? 6.360 5.107 -13.527 1.00 69.46 35 A 1 ATOM 276 N N . GLU A 1 36 ? 4.395 4.170 -8.201 1.00 98.00 36 A 1 ATOM 277 C CA . GLU A 1 36 ? 4.227 5.356 -7.350 1.00 97.87 36 A 1 ATOM 278 C C . GLU A 1 36 ? 4.998 5.223 -6.029 1.00 98.02 36 A 1 ATOM 279 O O . GLU A 1 36 ? 5.686 6.151 -5.604 1.00 97.64 36 A 1 ATOM 280 C CB . GLU A 1 36 ? 2.734 5.550 -7.040 1.00 97.57 36 A 1 ATOM 281 C CG . GLU A 1 36 ? 1.941 6.135 -8.212 1.00 94.95 36 A 1 ATOM 282 C CD . GLU A 1 36 ? 2.168 7.646 -8.369 1.00 93.82 36 A 1 ATOM 283 O OE1 . GLU A 1 36 ? 2.566 8.078 -9.464 1.00 87.46 36 A 1 ATOM 284 O OE2 . GLU A 1 36 ? 1.882 8.375 -7.372 1.00 87.83 36 A 1 ATOM 285 N N . LEU A 1 37 ? 4.923 4.056 -5.371 1.00 98.11 37 A 1 ATOM 286 C CA . LEU A 1 37 ? 5.662 3.798 -4.137 1.00 98.13 37 A 1 ATOM 287 C C . LEU A 1 37 ? 7.174 3.796 -4.367 1.00 98.09 37 A 1 ATOM 288 O O . LEU A 1 37 ? 7.905 4.399 -3.585 1.00 98.01 37 A 1 ATOM 289 C CB . LEU A 1 37 ? 5.202 2.466 -3.530 1.00 98.26 37 A 1 ATOM 290 C CG . LEU A 1 37 ? 3.823 2.524 -2.857 1.00 97.94 37 A 1 ATOM 291 C CD1 . LEU A 1 37 ? 3.384 1.097 -2.532 1.00 97.51 37 A 1 ATOM 292 C CD2 . LEU A 1 37 ? 3.854 3.317 -1.549 1.00 97.53 37 A 1 ATOM 293 N N . ALA A 1 38 ? 7.656 3.165 -5.436 1.00 98.17 38 A 1 ATOM 294 C CA . ALA A 1 38 ? 9.081 3.139 -5.758 1.00 97.98 38 A 1 ATOM 295 C C . ALA A 1 38 ? 9.646 4.543 -6.053 1.00 97.73 38 A 1 ATOM 296 O O . ALA A 1 38 ? 10.782 4.850 -5.678 1.00 97.24 38 A 1 ATOM 297 C CB . ALA A 1 38 ? 9.289 2.187 -6.941 1.00 97.85 38 A 1 ATOM 298 N N . GLU A 1 39 ? 8.858 5.406 -6.697 1.00 98.05 39 A 1 ATOM 299 C CA . GLU A 1 39 ? 9.245 6.786 -7.004 1.00 97.85 39 A 1 ATOM 300 C C . GLU A 1 39 ? 9.257 7.684 -5.757 1.00 97.71 39 A 1 ATOM 301 O O . GLU A 1 39 ? 10.163 8.502 -5.585 1.00 97.09 39 A 1 ATOM 302 C CB . GLU A 1 39 ? 8.305 7.362 -8.080 1.00 97.52 39 A 1 ATOM 303 C CG . GLU A 1 39 ? 8.570 6.756 -9.470 1.00 92.52 39 A 1 ATOM 304 C CD . GLU A 1 39 ? 7.660 7.312 -10.584 1.00 90.39 39 A 1 ATOM 305 O OE1 . GLU A 1 39 ? 7.679 6.721 -11.695 1.00 84.06 39 A 1 ATOM 306 O OE2 . GLU A 1 39 ? 7.005 8.360 -10.361 1.00 85.13 39 A 1 ATOM 307 N N . ASN A 1 40 ? 8.279 7.517 -4.864 1.00 97.77 40 A 1 ATOM 308 C CA . ASN A 1 40 ? 8.125 8.363 -3.675 1.00 97.39 40 A 1 ATOM 309 C C . ASN A 1 40 ? 8.944 7.876 -2.468 1.00 97.30 40 A 1 ATOM 310 O O . ASN A 1 40 ? 9.301 8.685 -1.609 1.00 96.69 40 A 1 ATOM 311 C CB . ASN A 1 40 ? 6.631 8.507 -3.351 1.00 97.15 40 A 1 ATOM 312 C CG . ASN A 1 40 ? 5.927 9.435 -4.329 1.00 95.03 40 A 1 ATOM 313 O OD1 . ASN A 1 40 ? 5.868 10.638 -4.131 1.00 87.81 40 A 1 ATOM 314 N ND2 . ASN A 1 40 ? 5.395 8.925 -5.411 1.00 88.08 40 A 1 ATOM 315 N N . PHE A 1 41 ? 9.288 6.581 -2.417 1.00 97.86 41 A 1 ATOM 316 C CA . PHE A 1 41 ? 10.097 5.969 -1.360 1.00 97.72 41 A 1 ATOM 317 C C . PHE A 1 41 ? 11.344 5.284 -1.951 1.00 97.77 41 A 1 ATOM 318 O O . PHE A 1 41 ? 11.483 4.060 -1.893 1.00 97.44 41 A 1 ATOM 319 C CB . PHE A 1 41 ? 9.217 5.038 -0.512 1.00 97.70 41 A 1 ATOM 320 C CG . PHE A 1 41 ? 8.008 5.731 0.091 1.00 97.90 41 A 1 ATOM 321 C CD1 . PHE A 1 41 ? 8.133 6.479 1.275 1.00 97.30 41 A 1 ATOM 322 C CD2 . PHE A 1 41 ? 6.766 5.673 -0.568 1.00 97.61 41 A 1 ATOM 323 C CE1 . PHE A 1 41 ? 7.019 7.156 1.803 1.00 97.18 41 A 1 ATOM 324 C CE2 . PHE A 1 41 ? 5.651 6.352 -0.043 1.00 97.25 41 A 1 ATOM 325 C CZ . PHE A 1 41 ? 5.778 7.096 1.141 1.00 97.32 41 A 1 ATOM 326 N N . PRO A 1 42 ? 12.281 6.052 -2.533 1.00 97.51 42 A 1 ATOM 327 C CA . PRO A 1 42 ? 13.433 5.497 -3.227 1.00 96.87 42 A 1 ATOM 328 C C . PRO A 1 42 ? 14.310 4.672 -2.277 1.00 96.23 42 A 1 ATOM 329 O O . PRO A 1 42 ? 14.723 5.133 -1.210 1.00 93.71 42 A 1 ATOM 330 C CB . PRO A 1 42 ? 14.180 6.704 -3.810 1.00 96.08 42 A 1 ATOM 331 C CG . PRO A 1 42 ? 13.779 7.853 -2.882 1.00 94.62 42 A 1 ATOM 332 C CD . PRO A 1 42 ? 12.338 7.506 -2.534 1.00 97.12 42 A 1 ATOM 333 N N . GLY A 1 43 ? 14.649 3.455 -2.699 1.00 96.46 43 A 1 ATOM 334 C CA . GLY A 1 43 ? 15.449 2.498 -1.933 1.00 96.46 43 A 1 ATOM 335 C C . GLY A 1 43 ? 14.637 1.545 -1.058 1.00 97.53 43 A 1 ATOM 336 O O . GLY A 1 43 ? 15.222 0.589 -0.551 1.00 96.49 43 A 1 ATOM 337 N N . ALA A 1 44 ? 13.327 1.745 -0.913 1.00 98.07 44 A 1 ATOM 338 C CA . ALA A 1 44 ? 12.450 0.759 -0.300 1.00 98.35 44 A 1 ATOM 339 C C . ALA A 1 44 ? 12.154 -0.397 -1.274 1.00 98.52 44 A 1 ATOM 340 O O . ALA A 1 44 ? 11.899 -0.188 -2.458 1.00 98.36 44 A 1 ATOM 341 C CB . ALA A 1 44 ? 11.165 1.435 0.194 1.00 98.25 44 A 1 ATOM 342 N N . GLU A 1 45 ? 12.144 -1.629 -0.762 1.00 98.42 45 A 1 ATOM 343 C CA . GLU A 1 45 ? 11.575 -2.783 -1.460 1.00 98.52 45 A 1 ATOM 344 C C . GLU A 1 45 ? 10.049 -2.654 -1.466 1.00 98.61 45 A 1 ATOM 345 O O . GLU A 1 45 ? 9.442 -2.445 -0.418 1.00 98.43 45 A 1 ATOM 346 C CB . GLU A 1 45 ? 12.036 -4.077 -0.770 1.00 98.29 45 A 1 ATOM 347 C CG . GLU A 1 45 ? 11.550 -5.356 -1.477 1.00 94.17 45 A 1 ATOM 348 C CD . GLU A 1 45 ? 11.925 -6.631 -0.689 1.00 92.11 45 A 1 ATOM 349 O OE1 . GLU A 1 45 ? 11.078 -7.550 -0.611 1.00 83.71 45 A 1 ATOM 350 O OE2 . GLU A 1 45 ? 13.045 -6.678 -0.125 1.00 86.56 45 A 1 ATOM 351 N N . ILE A 1 46 ? 9.419 -2.786 -2.637 1.00 98.60 46 A 1 ATOM 352 C CA . ILE A 1 46 ? 7.962 -2.704 -2.774 1.00 98.57 46 A 1 ATOM 353 C C . ILE A 1 46 ? 7.408 -4.100 -3.050 1.00 98.45 46 A 1 ATOM 354 O O . ILE A 1 46 ? 7.807 -4.754 -4.011 1.00 98.21 46 A 1 ATOM 355 C CB . ILE A 1 46 ? 7.551 -1.690 -3.864 1.00 98.52 46 A 1 ATOM 356 C CG1 . ILE A 1 46 ? 8.222 -0.303 -3.705 1.00 97.86 46 A 1 ATOM 357 C CG2 . ILE A 1 46 ? 6.021 -1.544 -3.906 1.00 98.13 46 A 1 ATOM 358 C CD1 . ILE A 1 46 ? 8.025 0.376 -2.340 1.00 95.79 46 A 1 ATOM 359 N N . GLU A 1 47 ? 6.472 -4.548 -2.217 1.00 98.39 47 A 1 ATOM 360 C CA . GLU A 1 47 ? 5.772 -5.821 -2.371 1.00 98.27 47 A 1 ATOM 361 C C . GLU A 1 47 ? 4.259 -5.586 -2.422 1.00 98.19 47 A 1 ATOM 362 O O . GLU A 1 47 ? 3.680 -4.979 -1.521 1.00 97.66 47 A 1 ATOM 363 C CB . GLU A 1 47 ? 6.186 -6.771 -1.233 1.00 97.99 47 A 1 ATOM 364 C CG . GLU A 1 47 ? 5.621 -8.189 -1.428 1.00 95.32 47 A 1 ATOM 365 C CD . GLU A 1 47 ? 6.042 -9.169 -0.314 1.00 93.66 47 A 1 ATOM 366 O OE1 . GLU A 1 47 ? 5.284 -10.139 -0.076 1.00 86.41 47 A 1 ATOM 367 O OE2 . GLU A 1 47 ? 7.110 -8.977 0.304 1.00 87.48 47 A 1 ATOM 368 N N . ILE A 1 48 ? 3.606 -6.076 -3.484 1.00 98.19 48 A 1 ATOM 369 C CA . ILE A 1 48 ? 2.157 -5.969 -3.668 1.00 97.91 48 A 1 ATOM 370 C C . ILE A 1 48 ? 1.563 -7.379 -3.644 1.00 97.73 48 A 1 ATOM 371 O O . ILE A 1 48 ? 1.898 -8.215 -4.481 1.00 97.11 48 A 1 ATOM 372 C CB . ILE A 1 48 ? 1.798 -5.216 -4.967 1.00 97.36 48 A 1 ATOM 373 C CG1 . ILE A 1 48 ? 2.548 -3.875 -5.155 1.00 95.86 48 A 1 ATOM 374 C CG2 . ILE A 1 48 ? 0.280 -4.989 -5.037 1.00 96.44 48 A 1 ATOM 375 C CD1 . ILE A 1 48 ? 2.308 -2.822 -4.071 1.00 93.40 48 A 1 ATOM 376 N N . ASN A 1 49 ? 0.671 -7.637 -2.686 1.00 97.24 49 A 1 ATOM 377 C CA . ASN A 1 49 ? 0.019 -8.925 -2.497 1.00 96.91 49 A 1 ATOM 378 C C . ASN A 1 49 ? -1.489 -8.812 -2.733 1.00 96.82 49 A 1 ATOM 379 O O . ASN A 1 49 ? -2.158 -7.928 -2.196 1.00 95.99 49 A 1 ATOM 380 C CB . ASN A 1 49 ? 0.312 -9.450 -1.085 1.00 96.33 49 A 1 ATOM 381 C CG . ASN A 1 49 ? 1.780 -9.742 -0.843 1.00 93.76 49 A 1 ATOM 382 O OD1 . ASN A 1 49 ? 2.461 -10.336 -1.660 1.00 86.66 49 A 1 ATOM 383 N ND2 . ASN A 1 49 ? 2.290 -9.369 0.306 1.00 86.65 49 A 1 ATOM 384 N N . GLU A 1 50 ? -2.045 -9.790 -3.449 1.00 96.51 50 A 1 ATOM 385 C CA . GLU A 1 50 ? -3.500 -9.927 -3.591 1.00 96.38 50 A 1 ATOM 386 C C . GLU A 1 50 ? -4.152 -10.489 -2.326 1.00 96.00 50 A 1 ATOM 387 O O . GLU A 1 50 ? -5.288 -10.151 -1.991 1.00 94.82 50 A 1 ATOM 388 C CB . GLU A 1 50 ? -3.803 -10.851 -4.770 1.00 96.06 50 A 1 ATOM 389 C CG . GLU A 1 50 ? -3.384 -10.228 -6.108 1.00 94.41 50 A 1 ATOM 390 C CD . GLU A 1 50 ? -3.676 -11.190 -7.262 1.00 93.31 50 A 1 ATOM 391 O OE1 . GLU A 1 50 ? -2.737 -11.416 -8.050 1.00 86.52 50 A 1 ATOM 392 O OE2 . GLU A 1 50 ? -4.811 -11.710 -7.298 1.00 87.31 50 A 1 ATOM 393 N N . ALA A 1 51 ? -3.432 -11.357 -1.601 1.00 96.25 51 A 1 ATOM 394 C CA . ALA A 1 51 ? -3.950 -12.020 -0.417 1.00 95.91 51 A 1 ATOM 395 C C . ALA A 1 51 ? -4.230 -11.021 0.716 1.00 95.63 51 A 1 ATOM 396 O O . ALA A 1 51 ? -3.435 -10.123 0.999 1.00 94.62 51 A 1 ATOM 397 C CB . ALA A 1 51 ? -2.967 -13.112 0.014 1.00 95.40 51 A 1 ATOM 398 N N . ASP A 1 52 ? -5.345 -11.256 1.416 1.00 95.24 52 A 1 ATOM 399 C CA . ASP A 1 52 ? -5.685 -10.489 2.608 1.00 94.92 52 A 1 ATOM 400 C C . ASP A 1 52 ? -4.690 -10.742 3.746 1.00 95.05 52 A 1 ATOM 401 O O . ASP A 1 52 ? -4.154 -11.837 3.929 1.00 93.09 52 A 1 ATOM 402 C CB . ASP A 1 52 ? -7.110 -10.823 3.076 1.00 93.10 52 A 1 ATOM 403 C CG . ASP A 1 52 ? -8.188 -10.356 2.100 1.00 89.63 52 A 1 ATOM 404 O OD1 . ASP A 1 52 ? -7.989 -9.296 1.473 1.00 84.92 52 A 1 ATOM 405 O OD2 . ASP A 1 52 ? -9.225 -11.054 2.011 1.00 84.41 52 A 1 ATOM 406 N N . SER A 1 53 ? -4.491 -9.723 4.565 1.00 94.69 53 A 1 ATOM 407 C CA . SER A 1 53 ? -3.683 -9.774 5.780 1.00 94.93 53 A 1 ATOM 408 C C . SER A 1 53 ? -4.349 -8.950 6.880 1.00 95.14 53 A 1 ATOM 409 O O . SER A 1 53 ? -5.235 -8.134 6.628 1.00 93.89 53 A 1 ATOM 410 C CB . SER A 1 53 ? -2.272 -9.265 5.471 1.00 94.36 53 A 1 ATOM 411 O OG . SER A 1 53 ? -1.440 -9.358 6.612 1.00 86.17 53 A 1 ATOM 412 N N . THR A 1 54 ? -3.903 -9.152 8.124 1.00 94.85 54 A 1 ATOM 413 C CA . THR A 1 54 ? -4.354 -8.338 9.269 1.00 95.17 54 A 1 ATOM 414 C C . THR A 1 54 ? -4.098 -6.845 9.045 1.00 94.95 54 A 1 ATOM 415 O O . THR A 1 54 ? -4.862 -6.014 9.524 1.00 93.91 54 A 1 ATOM 416 C CB . THR A 1 54 ? -3.629 -8.785 10.546 1.00 94.90 54 A 1 ATOM 417 O OG1 . THR A 1 54 ? -3.829 -10.164 10.756 1.00 91.25 54 A 1 ATOM 418 C CG2 . THR A 1 54 ? -4.120 -8.075 11.805 1.00 90.09 54 A 1 ATOM 419 N N . TYR A 1 55 ? -3.031 -6.523 8.325 1.00 94.16 55 A 1 ATOM 420 C CA . TYR A 1 55 ? -2.674 -5.154 7.966 1.00 94.90 55 A 1 ATOM 421 C C . TYR A 1 55 ? -2.633 -5.022 6.444 1.00 95.41 55 A 1 ATOM 422 O O . TYR A 1 55 ? -1.939 -5.792 5.776 1.00 94.61 55 A 1 ATOM 423 C CB . TYR A 1 55 ? -1.327 -4.791 8.597 1.00 94.77 55 A 1 ATOM 424 C CG . TYR A 1 55 ? -1.299 -4.939 10.108 1.00 93.64 55 A 1 ATOM 425 C CD1 . TYR A 1 55 ? -1.976 -4.008 10.920 1.00 90.04 55 A 1 ATOM 426 C CD2 . TYR A 1 55 ? -0.618 -6.020 10.704 1.00 90.48 55 A 1 ATOM 427 C CE1 . TYR A 1 55 ? -1.973 -4.152 12.321 1.00 87.93 55 A 1 ATOM 428 C CE2 . TYR A 1 55 ? -0.612 -6.169 12.106 1.00 88.42 55 A 1 ATOM 429 C CZ . TYR A 1 55 ? -1.292 -5.233 12.915 1.00 88.80 55 A 1 ATOM 430 O OH . TYR A 1 55 ? -1.292 -5.375 14.272 1.00 86.72 55 A 1 ATOM 431 N N . SER A 1 56 ? -3.354 -4.035 5.910 1.00 96.22 56 A 1 ATOM 432 C CA . SER A 1 56 ? -3.330 -3.719 4.477 1.00 96.08 56 A 1 ATOM 433 C C . SER A 1 56 ? -2.010 -3.077 4.044 1.00 96.94 56 A 1 ATOM 434 O O . SER A 1 56 ? -1.570 -3.290 2.922 1.00 96.38 56 A 1 ATOM 435 C CB . SER A 1 56 ? -4.494 -2.786 4.129 1.00 94.31 56 A 1 ATOM 436 O OG . SER A 1 56 ? -4.487 -1.650 4.975 1.00 81.16 56 A 1 ATOM 437 N N . VAL A 1 57 ? -1.363 -2.343 4.951 1.00 96.31 57 A 1 ATOM 438 C CA . VAL A 1 57 ? -0.055 -1.716 4.732 1.00 97.05 57 A 1 ATOM 439 C C . VAL A 1 57 ? 0.894 -2.172 5.836 1.00 97.36 57 A 1 ATOM 440 O O . VAL A 1 57 ? 0.578 -2.060 7.020 1.00 97.12 57 A 1 ATOM 441 C CB . VAL A 1 57 ? -0.151 -0.176 4.691 1.00 96.96 57 A 1 ATOM 442 C CG1 . VAL A 1 57 ? 1.184 0.445 4.247 1.00 95.44 57 A 1 ATOM 443 C CG2 . VAL A 1 57 ? -1.260 0.323 3.754 1.00 95.42 57 A 1 ATOM 444 N N . VAL A 1 58 ? 2.065 -2.685 5.458 1.00 97.79 58 A 1 ATOM 445 C CA . VAL A 1 58 ? 3.167 -3.013 6.369 1.00 98.08 58 A 1 ATOM 446 C C . VAL A 1 58 ? 4.395 -2.233 5.927 1.00 98.36 58 A 1 ATOM 447 O O . VAL A 1 58 ? 4.759 -2.253 4.756 1.00 98.33 58 A 1 ATOM 448 C CB . VAL A 1 58 ? 3.445 -4.527 6.414 1.00 97.78 58 A 1 ATOM 449 C CG1 . VAL A 1 58 ? 4.578 -4.859 7.399 1.00 96.57 58 A 1 ATOM 450 C CG2 . VAL A 1 58 ? 2.201 -5.312 6.849 1.00 96.57 58 A 1 ATOM 451 N N . VAL A 1 59 ? 5.025 -1.536 6.869 1.00 98.03 59 A 1 ATOM 452 C CA . VAL A 1 59 ? 6.201 -0.698 6.614 1.00 98.17 59 A 1 ATOM 453 C C . VAL A 1 59 ? 7.338 -1.150 7.517 1.00 98.05 59 A 1 ATOM 454 O O . VAL A 1 59 ? 7.192 -1.153 8.744 1.00 97.71 59 A 1 ATOM 455 C CB . VAL A 1 59 ? 5.890 0.794 6.832 1.00 98.12 59 A 1 ATOM 456 C CG1 . VAL A 1 59 ? 7.076 1.674 6.413 1.00 97.09 59 A 1 ATOM 457 C CG2 . VAL A 1 59 ? 4.653 1.247 6.045 1.00 97.06 59 A 1 ATOM 458 N N . GLU A 1 60 ? 8.463 -1.506 6.915 1.00 98.18 60 A 1 ATOM 459 C CA . GLU A 1 60 ? 9.714 -1.824 7.599 1.00 98.15 60 A 1 ATOM 460 C C . GLU A 1 60 ? 10.671 -0.635 7.507 1.00 98.21 60 A 1 ATOM 461 O O . GLU A 1 60 ? 10.758 0.049 6.486 1.00 98.11 60 A 1 ATOM 462 C CB . GLU A 1 60 ? 10.347 -3.110 7.044 1.00 98.11 60 A 1 ATOM 463 C CG . GLU A 1 60 ? 9.435 -4.338 7.192 1.00 96.70 60 A 1 ATOM 464 C CD . GLU A 1 60 ? 10.065 -5.627 6.632 1.00 95.32 60 A 1 ATOM 465 O OE1 . GLU A 1 60 ? 9.307 -6.442 6.055 1.00 87.86 60 A 1 ATOM 466 O OE2 . GLU A 1 60 ? 11.292 -5.806 6.801 1.00 89.46 60 A 1 ATOM 467 N N . ILE A 1 61 ? 11.373 -0.383 8.608 1.00 97.85 61 A 1 ATOM 468 C CA . ILE A 1 61 ? 12.283 0.755 8.778 1.00 97.38 61 A 1 ATOM 469 C C . ILE A 1 61 ? 13.620 0.219 9.293 1.00 97.24 61 A 1 ATOM 470 O O . ILE A 1 61 ? 13.653 -0.719 10.080 1.00 95.96 61 A 1 ATOM 471 C CB . ILE A 1 61 ? 11.647 1.813 9.717 1.00 95.75 61 A 1 ATOM 472 C CG1 . ILE A 1 61 ? 10.319 2.326 9.113 1.00 90.06 61 A 1 ATOM 473 C CG2 . ILE A 1 61 ? 12.602 2.990 9.974 1.00 89.42 61 A 1 ATOM 474 C CD1 . ILE A 1 61 ? 9.620 3.407 9.936 1.00 85.54 61 A 1 ATOM 475 N N . ASP A 1 62 ? 14.730 0.808 8.845 1.00 97.08 62 A 1 ATOM 476 C CA . ASP A 1 62 ? 16.086 0.383 9.220 1.00 96.37 62 A 1 ATOM 477 C C . ASP A 1 62 ? 16.421 0.607 10.703 1.00 96.18 62 A 1 ATOM 478 O O . ASP A 1 62 ? 17.115 -0.212 11.309 1.00 94.18 62 A 1 ATOM 479 C CB . ASP A 1 62 ? 17.117 1.083 8.315 1.00 95.10 62 A 1 ATOM 480 C CG . ASP A 1 62 ? 17.125 2.625 8.367 1.00 92.87 62 A 1 ATOM 481 O OD1 . ASP A 1 62 ? 16.236 3.236 8.997 1.00 88.97 62 A 1 ATOM 482 O OD2 . ASP A 1 62 ? 18.005 3.223 7.708 1.00 88.81 62 A 1 ATOM 483 N N . ASP A 1 63 ? 15.917 1.688 11.303 1.00 95.86 63 A 1 ATOM 484 C CA . ASP A 1 63 ? 16.167 2.063 12.694 1.00 95.83 63 A 1 ATOM 485 C C . ASP A 1 63 ? 14.896 2.612 13.360 1.00 95.74 63 A 1 ATOM 486 O O . ASP A 1 63 ? 14.438 3.717 13.072 1.00 94.32 63 A 1 ATOM 487 C CB . ASP A 1 63 ? 17.330 3.072 12.757 1.00 94.76 63 A 1 ATOM 488 C CG . ASP A 1 63 ? 17.735 3.449 14.193 1.00 93.57 63 A 1 ATOM 489 O OD1 . ASP A 1 63 ? 17.197 2.859 15.163 1.00 91.24 63 A 1 ATOM 490 O OD2 . ASP A 1 63 ? 18.606 4.337 14.355 1.00 89.47 63 A 1 ATOM 491 N N . GLU A 1 64 ? 14.352 1.848 14.305 1.00 95.35 64 A 1 ATOM 492 C CA . GLU A 1 64 ? 13.188 2.248 15.110 1.00 95.25 64 A 1 ATOM 493 C C . GLU A 1 64 ? 13.578 2.785 16.504 1.00 95.43 64 A 1 ATOM 494 O O . GLU A 1 64 ? 12.721 2.940 17.381 1.00 93.46 64 A 1 ATOM 495 C CB . GLU A 1 64 ? 12.151 1.109 15.190 1.00 94.28 64 A 1 ATOM 496 C CG . GLU A 1 64 ? 11.613 0.676 13.813 1.00 92.29 64 A 1 ATOM 497 C CD . GLU A 1 64 ? 10.299 -0.121 13.852 1.00 90.96 64 A 1 ATOM 498 O OE1 . GLU A 1 64 ? 9.917 -0.709 12.817 1.00 84.06 64 A 1 ATOM 499 O OE2 . GLU A 1 64 ? 9.527 -0.036 14.840 1.00 85.22 64 A 1 ATOM 500 N N . SER A 1 65 ? 14.851 3.090 16.742 1.00 96.00 65 A 1 ATOM 501 C CA . SER A 1 65 ? 15.324 3.589 18.049 1.00 95.84 65 A 1 ATOM 502 C C . SER A 1 65 ? 14.677 4.925 18.434 1.00 95.70 65 A 1 ATOM 503 O O . SER A 1 65 ? 14.484 5.205 19.617 1.00 94.41 65 A 1 ATOM 504 C CB . SER A 1 65 ? 16.845 3.778 18.049 1.00 95.23 65 A 1 ATOM 505 O OG . SER A 1 65 ? 17.516 2.575 17.751 1.00 91.71 65 A 1 ATOM 506 N N . TYR A 1 66 ? 14.324 5.736 17.449 1.00 94.83 66 A 1 ATOM 507 C CA . TYR A 1 66 ? 13.575 6.978 17.628 1.00 94.70 66 A 1 ATOM 508 C C . TYR A 1 66 ? 12.101 6.752 17.284 1.00 95.31 66 A 1 ATOM 509 O O . TYR A 1 66 ? 11.670 6.930 16.147 1.00 94.77 66 A 1 ATOM 510 C CB . TYR A 1 66 ? 14.210 8.102 16.807 1.00 93.21 66 A 1 ATOM 511 C CG . TYR A 1 66 ? 15.620 8.445 17.242 1.00 86.90 66 A 1 ATOM 512 C CD1 . TYR A 1 66 ? 15.833 9.268 18.369 1.00 82.37 66 A 1 ATOM 513 C CD2 . TYR A 1 66 ? 16.722 7.921 16.538 1.00 80.92 66 A 1 ATOM 514 C CE1 . TYR A 1 66 ? 17.146 9.572 18.784 1.00 78.33 66 A 1 ATOM 515 C CE2 . TYR A 1 66 ? 18.034 8.220 16.953 1.00 78.16 66 A 1 ATOM 516 C CZ . TYR A 1 66 ? 18.247 9.047 18.076 1.00 77.32 66 A 1 ATOM 517 O OH . TYR A 1 66 ? 19.515 9.340 18.473 1.00 74.39 66 A 1 ATOM 518 N N . TYR A 1 67 ? 11.321 6.383 18.302 1.00 95.87 67 A 1 ATOM 519 C CA . TYR A 1 67 ? 9.922 5.977 18.142 1.00 95.97 67 A 1 ATOM 520 C C . TYR A 1 67 ? 9.071 6.979 17.344 1.00 96.39 67 A 1 ATOM 521 O O . TYR A 1 67 ? 8.351 6.575 16.436 1.00 96.36 67 A 1 ATOM 522 C CB . TYR A 1 67 ? 9.312 5.743 19.531 1.00 95.11 67 A 1 ATOM 523 C CG . TYR A 1 67 ? 7.844 5.362 19.488 1.00 91.24 67 A 1 ATOM 524 C CD1 . TYR A 1 67 ? 6.845 6.342 19.679 1.00 87.45 67 A 1 ATOM 525 C CD2 . TYR A 1 67 ? 7.473 4.032 19.206 1.00 87.35 67 A 1 ATOM 526 C CE1 . TYR A 1 67 ? 5.485 5.993 19.590 1.00 85.40 67 A 1 ATOM 527 C CE2 . TYR A 1 67 ? 6.115 3.681 19.112 1.00 85.09 67 A 1 ATOM 528 C CZ . TYR A 1 67 ? 5.117 4.661 19.302 1.00 84.00 67 A 1 ATOM 529 O OH . TYR A 1 67 ? 3.804 4.327 19.205 1.00 81.37 67 A 1 ATOM 530 N N . ASP A 1 68 ? 9.155 8.272 17.653 1.00 96.54 68 A 1 ATOM 531 C CA . ASP A 1 68 ? 8.331 9.287 16.984 1.00 96.92 68 A 1 ATOM 532 C C . ASP A 1 68 ? 8.701 9.459 15.500 1.00 97.23 68 A 1 ATOM 533 O O . ASP A 1 68 ? 7.816 9.637 14.667 1.00 97.07 68 A 1 ATOM 534 C CB . ASP A 1 68 ? 8.450 10.634 17.721 1.00 96.64 68 A 1 ATOM 535 C CG . ASP A 1 68 ? 7.844 10.627 19.132 1.00 93.82 68 A 1 ATOM 536 O OD1 . ASP A 1 68 ? 6.850 9.900 19.358 1.00 90.28 68 A 1 ATOM 537 O OD2 . ASP A 1 68 ? 8.383 11.356 19.997 1.00 90.32 68 A 1 ATOM 538 N N . GLU A 1 69 ? 9.988 9.355 15.158 1.00 96.59 69 A 1 ATOM 539 C CA . GLU A 1 69 ? 10.458 9.419 13.768 1.00 96.54 69 A 1 ATOM 540 C C . GLU A 1 69 ? 10.002 8.181 12.983 1.00 97.01 69 A 1 ATOM 541 O O . GLU A 1 69 ? 9.413 8.309 11.911 1.00 96.76 69 A 1 ATOM 542 C CB . GLU A 1 69 ? 11.994 9.584 13.751 1.00 95.42 69 A 1 ATOM 543 C CG . GLU A 1 69 ? 12.576 9.778 12.336 1.00 84.90 69 A 1 ATOM 544 C CD . GLU A 1 69 ? 14.104 10.028 12.313 1.00 84.34 69 A 1 ATOM 545 O OE1 . GLU A 1 69 ? 14.611 10.478 11.257 1.00 75.15 69 A 1 ATOM 546 O OE2 . GLU A 1 69 ? 14.800 9.786 13.325 1.00 79.02 69 A 1 ATOM 547 N N . ALA A 1 70 ? 10.198 6.987 13.561 1.00 96.52 70 A 1 ATOM 548 C CA . ALA A 1 70 ? 9.765 5.734 12.947 1.00 96.57 70 A 1 ATOM 549 C C . ALA A 1 70 ? 8.243 5.691 12.744 1.00 96.80 70 A 1 ATOM 550 O O . ALA A 1 70 ? 7.750 5.288 11.691 1.00 96.79 70 A 1 ATOM 551 C CB . ALA A 1 70 ? 10.244 4.579 13.835 1.00 96.18 70 A 1 ATOM 552 N N . ARG A 1 71 ? 7.487 6.147 13.738 1.00 97.41 71 A 1 ATOM 553 C CA . ARG A 1 71 ? 6.037 6.266 13.627 1.00 97.37 71 A 1 ATOM 554 C C . ARG A 1 71 ? 5.635 7.247 12.528 1.00 97.64 71 A 1 ATOM 555 O O . ARG A 1 71 ? 4.761 6.910 11.741 1.00 97.61 71 A 1 ATOM 556 C CB . ARG A 1 71 ? 5.455 6.656 14.984 1.00 96.95 71 A 1 ATOM 557 C CG . ARG A 1 71 ? 3.932 6.734 14.889 1.00 90.89 71 A 1 ATOM 558 C CD . ARG A 1 71 ? 3.335 7.125 16.233 1.00 87.63 71 A 1 ATOM 559 N NE . ARG A 1 71 ? 1.887 7.276 16.075 1.00 77.93 71 A 1 ATOM 560 C CZ . ARG A 1 71 ? 1.018 7.522 17.026 1.00 71.37 71 A 1 ATOM 561 N NH1 . ARG A 1 71 ? 1.389 7.665 18.273 1.00 66.26 71 A 1 ATOM 562 N NH2 . ARG A 1 71 ? -0.241 7.626 16.720 1.00 62.28 71 A 1 ATOM 563 N N . GLY A 1 72 ? 6.271 8.413 12.474 1.00 97.71 72 A 1 ATOM 564 C CA . GLY A 1 72 ? 6.010 9.408 11.429 1.00 97.73 72 A 1 ATOM 565 C C . GLY A 1 72 ? 6.181 8.826 10.026 1.00 98.00 72 A 1 ATOM 566 O O . GLY A 1 72 ? 5.267 8.924 9.216 1.00 97.76 72 A 1 ATOM 567 N N . LEU A 1 73 ? 7.283 8.108 9.777 1.00 97.14 73 A 1 ATOM 568 C CA . LEU A 1 73 ? 7.521 7.448 8.486 1.00 97.18 73 A 1 ATOM 569 C C . LEU A 1 73 ? 6.451 6.398 8.150 1.00 97.64 73 A 1 ATOM 570 O O . LEU A 1 73 ? 5.999 6.313 7.009 1.00 97.58 73 A 1 ATOM 571 C CB . LEU A 1 73 ? 8.906 6.782 8.499 1.00 96.83 73 A 1 ATOM 572 C CG . LEU A 1 73 ? 10.099 7.757 8.502 1.00 95.11 73 A 1 ATOM 573 C CD1 . LEU A 1 73 ? 11.388 6.962 8.694 1.00 93.75 73 A 1 ATOM 574 C CD2 . LEU A 1 73 ? 10.209 8.533 7.189 1.00 94.05 73 A 1 ATOM 575 N N . LYS A 1 74 ? 6.024 5.601 9.139 1.00 97.59 74 A 1 ATOM 576 C CA . LYS A 1 74 ? 4.942 4.625 8.946 1.00 97.57 74 A 1 ATOM 577 C C . LYS A 1 74 ? 3.620 5.318 8.631 1.00 97.73 74 A 1 ATOM 578 O O . LYS A 1 74 ? 2.903 4.874 7.737 1.00 97.72 74 A 1 ATOM 579 C CB . LYS A 1 74 ? 4.806 3.711 10.179 1.00 97.35 74 A 1 ATOM 580 C CG . LYS A 1 74 ? 5.988 2.737 10.298 1.00 96.26 74 A 1 ATOM 581 C CD . LYS A 1 74 ? 5.931 1.859 11.559 1.00 94.35 74 A 1 ATOM 582 C CE . LYS A 1 74 ? 7.206 1.005 11.583 1.00 91.97 74 A 1 ATOM 583 N NZ . LYS A 1 74 ? 7.359 0.147 12.785 1.00 85.59 74 A 1 ATOM 584 N N . ASP A 1 75 ? 3.306 6.397 9.343 1.00 98.03 75 A 1 ATOM 585 C CA . ASP A 1 75 ? 2.089 7.174 9.129 1.00 97.97 75 A 1 ATOM 586 C C . ASP A 1 75 ? 2.099 7.836 7.737 1.00 98.09 75 A 1 ATOM 587 O O . ASP A 1 75 ? 1.101 7.741 7.023 1.00 97.94 75 A 1 ATOM 588 C CB . ASP A 1 75 ? 1.892 8.193 10.275 1.00 97.62 75 A 1 ATOM 589 C CG . ASP A 1 75 ? 1.497 7.573 11.640 1.00 93.68 75 A 1 ATOM 590 O OD1 . ASP A 1 75 ? 1.087 6.390 11.684 1.00 90.22 75 A 1 ATOM 591 O OD2 . ASP A 1 75 ? 1.540 8.289 12.680 1.00 90.42 75 A 1 ATOM 592 N N . ASP A 1 76 ? 3.230 8.382 7.294 1.00 97.87 76 A 1 ATOM 593 C CA . ASP A 1 76 ? 3.383 8.985 5.961 1.00 97.71 76 A 1 ATOM 594 C C . ASP A 1 76 ? 3.112 7.972 4.837 1.00 97.89 76 A 1 ATOM 595 O O . ASP A 1 76 ? 2.356 8.262 3.905 1.00 97.56 76 A 1 ATOM 596 C CB . ASP A 1 76 ? 4.798 9.576 5.798 1.00 97.27 76 A 1 ATOM 597 C CG . ASP A 1 76 ? 5.066 10.853 6.609 1.00 94.31 76 A 1 ATOM 598 O OD1 . ASP A 1 76 ? 4.094 11.515 7.039 1.00 91.93 76 A 1 ATOM 599 O OD2 . ASP A 1 76 ? 6.263 11.197 6.753 1.00 91.35 76 A 1 ATOM 600 N N . VAL A 1 77 ? 3.669 6.753 4.944 1.00 98.11 77 A 1 ATOM 601 C CA . VAL A 1 77 ? 3.403 5.680 3.966 1.00 98.25 77 A 1 ATOM 602 C C . VAL A 1 77 ? 1.934 5.252 4.002 1.00 98.06 77 A 1 ATOM 603 O O . VAL A 1 77 ? 1.323 5.057 2.951 1.00 97.75 77 A 1 ATOM 604 C CB . VAL A 1 77 ? 4.320 4.464 4.203 1.00 98.32 77 A 1 ATOM 605 C CG1 . VAL A 1 77 ? 3.990 3.309 3.242 1.00 97.95 77 A 1 ATOM 606 C CG2 . VAL A 1 77 ? 5.794 4.811 3.993 1.00 97.85 77 A 1 ATOM 607 N N . ASN A 1 78 ? 1.342 5.121 5.195 1.00 98.01 78 A 1 ATOM 608 C CA . ASN A 1 78 ? -0.073 4.765 5.316 1.00 97.65 78 A 1 ATOM 609 C C . ASN A 1 78 ? -0.981 5.811 4.659 1.00 97.42 78 A 1 ATOM 610 O O . ASN A 1 78 ? -1.854 5.448 3.874 1.00 96.72 78 A 1 ATOM 611 C CB . ASN A 1 78 ? -0.449 4.569 6.793 1.00 97.02 78 A 1 ATOM 612 C CG . ASN A 1 78 ? -0.154 3.164 7.274 1.00 87.07 78 A 1 ATOM 613 O OD1 . ASN A 1 78 ? -0.869 2.222 6.982 1.00 76.63 78 A 1 ATOM 614 N ND2 . ASN A 1 78 ? 0.891 2.969 8.036 1.00 75.41 78 A 1 ATOM 615 N N . VAL A 1 79 ? -0.760 7.094 4.932 1.00 97.73 79 A 1 ATOM 616 C CA . VAL A 1 79 ? -1.519 8.192 4.315 1.00 97.62 79 A 1 ATOM 617 C C . VAL A 1 79 ? -1.337 8.179 2.801 1.00 97.40 79 A 1 ATOM 618 O O . VAL A 1 79 ? -2.322 8.221 2.069 1.00 96.91 79 A 1 ATOM 619 C CB . VAL A 1 79 ? -1.109 9.549 4.920 1.00 97.46 79 A 1 ATOM 620 C CG1 . VAL A 1 79 ? -1.712 10.741 4.161 1.00 96.12 79 A 1 ATOM 621 C CG2 . VAL A 1 79 ? -1.596 9.650 6.376 1.00 96.26 79 A 1 ATOM 622 N N . PHE A 1 80 ? -0.099 8.016 2.323 1.00 97.81 80 A 1 ATOM 623 C CA . PHE A 1 80 ? 0.181 7.911 0.891 1.00 97.62 80 A 1 ATOM 624 C C . PHE A 1 80 ? -0.620 6.783 0.229 1.00 97.35 80 A 1 ATOM 625 O O . PHE A 1 80 ? -1.209 6.993 -0.832 1.00 96.77 80 A 1 ATOM 626 C CB . PHE A 1 80 ? 1.685 7.708 0.684 1.00 97.63 80 A 1 ATOM 627 C CG . PHE A 1 80 ? 2.085 7.618 -0.774 1.00 97.81 80 A 1 ATOM 628 C CD1 . PHE A 1 80 ? 1.984 6.396 -1.469 1.00 97.06 80 A 1 ATOM 629 C CD2 . PHE A 1 80 ? 2.526 8.771 -1.448 1.00 97.27 80 A 1 ATOM 630 C CE1 . PHE A 1 80 ? 2.310 6.331 -2.833 1.00 96.71 80 A 1 ATOM 631 C CE2 . PHE A 1 80 ? 2.859 8.704 -2.809 1.00 96.73 80 A 1 ATOM 632 C CZ . PHE A 1 80 ? 2.745 7.484 -3.502 1.00 96.88 80 A 1 ATOM 633 N N . CYS A 1 81 ? -0.673 5.604 0.862 1.00 97.36 81 A 1 ATOM 634 C CA . CYS A 1 81 ? -1.406 4.449 0.344 1.00 96.92 81 A 1 ATOM 635 C C . CYS A 1 81 ? -2.926 4.648 0.385 1.00 96.14 81 A 1 ATOM 636 O O . CYS A 1 81 ? -3.611 4.217 -0.534 1.00 95.10 81 A 1 ATOM 637 C CB . CYS A 1 81 ? -1.010 3.196 1.134 1.00 97.03 81 A 1 ATOM 638 S SG . CYS A 1 81 ? 0.737 2.795 0.853 1.00 96.69 81 A 1 ATOM 639 N N . ILE A 1 82 ? -3.457 5.292 1.424 1.00 95.84 82 A 1 ATOM 640 C CA . ILE A 1 82 ? -4.889 5.617 1.533 1.00 94.62 82 A 1 ATOM 641 C C . ILE A 1 82 ? -5.299 6.575 0.407 1.00 94.03 82 A 1 ATOM 642 O O . ILE A 1 82 ? -6.273 6.318 -0.297 1.00 93.10 82 A 1 ATOM 643 C CB . ILE A 1 82 ? -5.202 6.185 2.937 1.00 93.81 82 A 1 ATOM 644 C CG1 . ILE A 1 82 ? -5.101 5.054 3.991 1.00 92.22 82 A 1 ATOM 645 C CG2 . ILE A 1 82 ? -6.605 6.827 2.990 1.00 91.18 82 A 1 ATOM 646 C CD1 . ILE A 1 82 ? -5.045 5.562 5.441 1.00 86.13 82 A 1 ATOM 647 N N . ASP A 1 83 ? -4.520 7.629 0.195 1.00 95.97 83 A 1 ATOM 648 C CA . ASP A 1 83 ? -4.810 8.645 -0.818 1.00 96.15 83 A 1 ATOM 649 C C . ASP A 1 83 ? -4.514 8.162 -2.251 1.00 95.93 83 A 1 ATOM 650 O O . ASP A 1 83 ? -4.936 8.784 -3.227 1.00 95.08 83 A 1 ATOM 651 C CB . ASP A 1 83 ? -3.997 9.912 -0.508 1.00 96.25 83 A 1 ATOM 652 C CG . ASP A 1 83 ? -4.387 10.638 0.790 1.00 93.48 83 A 1 ATOM 653 O OD1 . ASP A 1 83 ? -5.446 10.319 1.381 1.00 89.56 83 A 1 ATOM 654 O OD2 . ASP A 1 83 ? -3.623 11.559 1.172 1.00 89.54 83 A 1 ATOM 655 N N . ALA A 1 84 ? -3.781 7.046 -2.398 1.00 96.21 84 A 1 ATOM 656 C CA . ALA A 1 84 ? -3.407 6.511 -3.704 1.00 95.23 84 A 1 ATOM 657 C C . ALA A 1 84 ? -4.623 6.132 -4.551 1.00 94.07 84 A 1 ATOM 658 O O . ALA A 1 84 ? -4.631 6.404 -5.749 1.00 92.49 84 A 1 ATOM 659 C CB . ALA A 1 84 ? -2.476 5.310 -3.514 1.00 95.01 84 A 1 ATOM 660 N N . TRP A 1 85 ? -5.663 5.579 -3.936 1.00 92.78 85 A 1 ATOM 661 C CA . TRP A 1 85 ? -6.880 5.186 -4.651 1.00 91.09 85 A 1 ATOM 662 C C . TRP A 1 85 ? -7.529 6.364 -5.382 1.00 91.09 85 A 1 ATOM 663 O O . TRP A 1 85 ? -7.847 6.259 -6.565 1.00 89.46 85 A 1 ATOM 664 C CB . TRP A 1 85 ? -7.862 4.559 -3.664 1.00 89.10 85 A 1 ATOM 665 C CG . TRP A 1 85 ? -9.087 4.026 -4.331 1.00 86.98 85 A 1 ATOM 666 C CD1 . TRP A 1 85 ? -10.261 4.680 -4.485 1.00 83.18 85 A 1 ATOM 667 C CD2 . TRP A 1 85 ? -9.248 2.745 -5.013 1.00 85.97 85 A 1 ATOM 668 N NE1 . TRP A 1 85 ? -11.140 3.889 -5.202 1.00 81.35 85 A 1 ATOM 669 C CE2 . TRP A 1 85 ? -10.564 2.687 -5.557 1.00 83.60 85 A 1 ATOM 670 C CE3 . TRP A 1 85 ? -8.406 1.634 -5.223 1.00 81.05 85 A 1 ATOM 671 C CZ2 . TRP A 1 85 ? -11.026 1.576 -6.279 1.00 80.87 85 A 1 ATOM 672 C CZ3 . TRP A 1 85 ? -8.864 0.514 -5.942 1.00 80.47 85 A 1 ATOM 673 C CH2 . TRP A 1 85 ? -10.165 0.483 -6.473 1.00 80.41 85 A 1 ATOM 674 N N . ASP A 1 86 ? -7.680 7.502 -4.703 1.00 92.10 86 A 1 ATOM 675 C CA . ASP A 1 86 ? -8.301 8.706 -5.265 1.00 92.93 86 A 1 ATOM 676 C C . ASP A 1 86 ? -7.384 9.433 -6.266 1.00 93.74 86 A 1 ATOM 677 O O . ASP A 1 86 ? -7.863 10.142 -7.148 1.00 92.73 86 A 1 ATOM 678 C CB . ASP A 1 86 ? -8.688 9.655 -4.123 1.00 92.06 86 A 1 ATOM 679 C CG . ASP A 1 86 ? -9.861 9.167 -3.259 1.00 88.23 86 A 1 ATOM 680 O OD1 . ASP A 1 86 ? -10.684 8.358 -3.751 1.00 84.82 86 A 1 ATOM 681 O OD2 . ASP A 1 86 ? -9.975 9.669 -2.117 1.00 84.02 86 A 1 ATOM 682 N N . ARG A 1 87 ? -6.059 9.254 -6.138 1.00 94.46 87 A 1 ATOM 683 C CA . ARG A 1 87 ? -5.064 9.822 -7.058 1.00 94.76 87 A 1 ATOM 684 C C . ARG A 1 87 ? -4.874 8.999 -8.330 1.00 95.47 87 A 1 ATOM 685 O O . ARG A 1 87 ? -4.342 9.524 -9.309 1.00 94.55 87 A 1 ATOM 686 C CB . ARG A 1 87 ? -3.709 9.973 -6.346 1.00 93.42 87 A 1 ATOM 687 C CG . ARG A 1 87 ? -3.726 11.007 -5.221 1.00 88.41 87 A 1 ATOM 688 C CD . ARG A 1 87 ? -2.328 11.253 -4.637 1.00 86.96 87 A 1 ATOM 689 N NE . ARG A 1 87 ? -1.658 10.017 -4.154 1.00 81.14 87 A 1 ATOM 690 C CZ . ARG A 1 87 ? -0.605 9.407 -4.695 1.00 75.99 87 A 1 ATOM 691 N NH1 . ARG A 1 87 ? 0.003 9.842 -5.755 1.00 69.67 87 A 1 ATOM 692 N NH2 . ARG A 1 87 ? -0.128 8.325 -4.169 1.00 67.16 87 A 1 ATOM 693 N N . CYS A 1 88 ? -5.248 7.735 -8.295 1.00 94.46 88 A 1 ATOM 694 C CA . CYS A 1 88 ? -5.048 6.817 -9.412 1.00 94.15 88 A 1 ATOM 695 C C . CYS A 1 88 ? -5.768 7.330 -10.674 1.00 93.82 88 A 1 ATOM 696 O O . CYS A 1 88 ? -6.960 7.627 -10.611 1.00 93.17 88 A 1 ATOM 697 C CB . CYS A 1 88 ? -5.550 5.434 -8.991 1.00 93.66 88 A 1 ATOM 698 S SG . CYS A 1 88 ? -5.124 4.241 -10.272 1.00 92.52 88 A 1 ATOM 699 N N . PRO A 1 89 ? -5.078 7.447 -11.819 1.00 94.56 89 A 1 ATOM 700 C CA . PRO A 1 89 ? -5.686 7.991 -13.031 1.00 93.52 89 A 1 ATOM 701 C C . PRO A 1 89 ? -6.682 7.036 -13.695 1.00 92.15 89 A 1 ATOM 702 O O . PRO A 1 89 ? -7.502 7.496 -14.487 1.00 89.27 89 A 1 ATOM 703 C CB . PRO A 1 89 ? -4.503 8.311 -13.953 1.00 93.41 89 A 1 ATOM 704 C CG . PRO A 1 89 ? -3.454 7.279 -13.544 1.00 93.55 89 A 1 ATOM 705 C CD . PRO A 1 89 ? -3.666 7.157 -12.040 1.00 94.94 89 A 1 ATOM 706 N N . TRP A 1 90 ? -6.609 5.736 -13.400 1.00 92.76 90 A 1 ATOM 707 C CA . TRP A 1 90 ? -7.444 4.683 -13.996 1.00 91.59 90 A 1 ATOM 708 C C . TRP A 1 90 ? -7.492 4.721 -15.534 1.00 90.64 90 A 1 ATOM 709 O O . TRP A 1 90 ? -8.498 4.377 -16.144 1.00 86.58 90 A 1 ATOM 710 C CB . TRP A 1 90 ? -8.829 4.688 -13.337 1.00 90.62 90 A 1 ATOM 711 C CG . TRP A 1 90 ? -8.827 4.423 -11.859 1.00 90.44 90 A 1 ATOM 712 C CD1 . TRP A 1 90 ? -8.936 5.347 -10.879 1.00 89.28 90 A 1 ATOM 713 C CD2 . TRP A 1 90 ? -8.669 3.138 -11.179 1.00 91.11 90 A 1 ATOM 714 N NE1 . TRP A 1 90 ? -8.856 4.729 -9.642 1.00 88.52 90 A 1 ATOM 715 C CE2 . TRP A 1 90 ? -8.687 3.369 -9.774 1.00 89.75 90 A 1 ATOM 716 C CE3 . TRP A 1 90 ? -8.506 1.810 -11.622 1.00 88.86 90 A 1 ATOM 717 C CZ2 . TRP A 1 90 ? -8.531 2.326 -8.847 1.00 87.80 90 A 1 ATOM 718 C CZ3 . TRP A 1 90 ? -8.353 0.757 -10.697 1.00 88.33 90 A 1 ATOM 719 C CH2 . TRP A 1 90 ? -8.362 1.014 -9.316 1.00 87.79 90 A 1 ATOM 720 N N . ASP A 1 91 ? -6.407 5.147 -16.176 1.00 89.07 91 A 1 ATOM 721 C CA . ASP A 1 91 ? -6.340 5.390 -17.625 1.00 88.85 91 A 1 ATOM 722 C C . ASP A 1 91 ? -6.283 4.107 -18.479 1.00 88.73 91 A 1 ATOM 723 O O . ASP A 1 91 ? -6.474 4.170 -19.695 1.00 84.51 91 A 1 ATOM 724 C CB . ASP A 1 91 ? -5.179 6.350 -17.938 1.00 87.81 91 A 1 ATOM 725 C CG . ASP A 1 91 ? -3.772 5.837 -17.567 1.00 83.82 91 A 1 ATOM 726 O OD1 . ASP A 1 91 ? -3.663 4.795 -16.889 1.00 79.05 91 A 1 ATOM 727 O OD2 . ASP A 1 91 ? -2.808 6.547 -17.946 1.00 79.42 91 A 1 ATOM 728 N N . TRP A 1 92 ? -6.097 2.949 -17.844 1.00 88.28 92 A 1 ATOM 729 C CA . TRP A 1 92 ? -6.186 1.625 -18.470 1.00 87.38 92 A 1 ATOM 730 C C . TRP A 1 92 ? -7.603 1.037 -18.454 1.00 84.43 92 A 1 ATOM 731 O O . TRP A 1 92 ? -7.842 0.021 -19.113 1.00 79.66 92 A 1 ATOM 732 C CB . TRP A 1 92 ? -5.216 0.674 -17.765 1.00 87.35 92 A 1 ATOM 733 C CG . TRP A 1 92 ? -5.516 0.472 -16.309 1.00 87.75 92 A 1 ATOM 734 C CD1 . TRP A 1 92 ? -6.359 -0.448 -15.787 1.00 85.90 92 A 1 ATOM 735 C CD2 . TRP A 1 92 ? -5.007 1.233 -15.174 1.00 89.51 92 A 1 ATOM 736 N NE1 . TRP A 1 92 ? -6.404 -0.319 -14.412 1.00 83.82 92 A 1 ATOM 737 C CE2 . TRP A 1 92 ? -5.580 0.705 -13.984 1.00 87.32 92 A 1 ATOM 738 C CE3 . TRP A 1 92 ? -4.114 2.313 -15.037 1.00 86.07 92 A 1 ATOM 739 C CZ2 . TRP A 1 92 ? -5.276 1.215 -12.717 1.00 86.04 92 A 1 ATOM 740 C CZ3 . TRP A 1 92 ? -3.802 2.835 -13.776 1.00 85.14 92 A 1 ATOM 741 C CH2 . TRP A 1 92 ? -4.379 2.289 -12.615 1.00 84.98 92 A 1 ATOM 742 N N . VAL A 1 93 ? -8.541 1.636 -17.697 1.00 82.72 93 A 1 ATOM 743 C CA . VAL A 1 93 ? -9.941 1.197 -17.641 1.00 79.81 93 A 1 ATOM 744 C C . VAL A 1 93 ? -10.657 1.682 -18.904 1.00 77.40 93 A 1 ATOM 745 O O . VAL A 1 93 ? -10.684 2.875 -19.198 1.00 72.63 93 A 1 ATOM 746 C CB . VAL A 1 93 ? -10.637 1.679 -16.352 1.00 76.70 93 A 1 ATOM 747 C CG1 . VAL A 1 93 ? -12.081 1.166 -16.273 1.00 70.82 93 A 1 ATOM 748 C CG2 . VAL A 1 93 ? -9.898 1.184 -15.100 1.00 71.30 93 A 1 ATOM 749 N N . SER A 1 94 ? -11.215 0.744 -19.672 1.00 72.33 94 A 1 ATOM 750 C CA . SER A 1 94 ? -11.889 1.017 -20.955 1.00 69.28 94 A 1 ATOM 751 C C . SER A 1 94 ? -13.409 0.980 -20.882 1.00 63.78 94 A 1 ATOM 752 O O . SER A 1 94 ? -13.928 0.066 -20.200 1.00 57.89 94 A 1 ATOM 753 C CB . SER A 1 94 ? -11.421 0.022 -22.008 1.00 62.84 94 A 1 ATOM 754 O OG . SER A 1 94 ? -11.882 -1.258 -21.639 1.00 57.24 94 A 1 ATOM 755 O OXT . SER A 1 94 ? -14.028 1.843 -21.582 1.00 56.95 94 A 1 #