# 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_card_protein # _entry.id card_protein # 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 ILE 2 1 n LYS 3 1 n VAL 4 1 n ASP 5 1 n ARG 6 1 n GLU 7 1 n ASN 8 1 n ILE 9 1 n ASP 10 1 n ALA 11 1 n PHE 12 1 n ALA 13 1 n ALA 14 1 n ARG 15 1 n ILE 16 1 n LYS 17 1 n ASN 18 1 n PHE 19 1 n GLU 20 1 n LEU 21 1 n LYS 22 1 n ALA 23 1 n GLY 24 1 n GLU 25 1 n SER 26 1 n PHE 27 1 n THR 28 1 n ASP 29 1 n TYR 30 1 n PHE 31 1 n MET 32 1 n ASP 33 1 n SER 34 1 n GLU 35 1 n VAL 36 1 n PHE 37 1 n ALA 38 1 n GLY 39 1 n SER 40 1 n TRP 41 1 n GLY 42 1 n PHE 43 1 n TRP 44 1 n LEU 45 1 n ILE 46 1 n GLY 47 1 n LYS 48 1 n GLY 49 1 n TYR 50 1 n VAL 51 1 n GLU 52 1 n ARG 53 1 n GLY 54 1 n ASN 55 1 n ALA 56 1 n ILE 57 1 n ILE 58 1 n ASN 59 1 n ALA 60 1 n TYR 61 1 n ASN 62 1 n LYS 63 1 n ALA 64 1 n ASN 65 1 n LYS 66 1 n LYS 67 1 n HIS 68 1 n TRP 69 1 n SER 70 1 n ASP 71 1 n GLN 72 1 n GLU 73 1 n LEU 74 1 n CYS 75 1 n PHE 76 1 n ALA 77 1 n VAL 78 1 n ASN 79 1 n ALA 80 1 n SER 81 1 n PRO 82 1 n LEU 83 1 n ARG 84 1 n TRP 85 1 n ASP 86 1 n ALA 87 1 n ALA 88 1 n SER 89 1 n ASN 90 1 n GLU 91 1 n PHE 92 1 n TYR 93 1 n PRO 94 1 n TRP 95 1 n GLY 96 1 n LEU 97 1 n ASP 98 1 n GLN 99 1 n GLY 100 1 n ILE 101 1 n ASN 102 1 n LEU 103 1 n ASP 104 1 n LEU 105 1 n ALA 106 1 n ILE 107 1 n ASN 108 1 n ALA 109 1 n ASP 110 1 n TYR 111 1 n LYS 112 1 n LEU 113 1 n TRP 114 1 n ALA 115 1 n GLU 116 1 n PHE 117 1 n LEU 118 1 n ILE 119 1 n SER 120 1 n SER 121 1 n ASP 122 1 n ARG 123 1 n TYR 124 1 n TYR 125 1 n GLU 126 1 n PRO 127 1 n PHE 128 1 n LEU 129 1 n LYS 130 1 n TYR 131 1 n LEU 132 1 n GLU 133 1 n ASN 134 1 n PHE 135 1 n GLU 136 1 n ALA 137 1 n GLY 138 1 n GLY 139 1 n GLU 140 1 n TYR 141 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-07 01:33:12)" _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 92.24 _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 72.40 1 1 A ILE 2 2 91.24 1 2 A LYS 3 2 91.16 1 3 A VAL 4 2 96.85 1 4 A ASP 5 2 97.54 1 5 A ARG 6 2 83.94 1 6 A GLU 7 2 90.00 1 7 A ASN 8 2 97.46 1 8 A ILE 9 2 98.49 1 9 A ASP 10 2 97.88 1 10 A ALA 11 2 98.59 1 11 A PHE 12 2 97.94 1 12 A ALA 13 2 98.62 1 13 A ALA 14 2 98.55 1 14 A ARG 15 2 96.89 1 15 A ILE 16 2 98.42 1 16 A LYS 17 2 95.02 1 17 A ASN 18 2 92.48 1 18 A PHE 19 2 97.54 1 19 A GLU 20 2 96.49 1 20 A LEU 21 2 93.39 1 21 A LYS 22 2 90.05 1 22 A ALA 23 2 96.09 1 23 A GLY 24 2 95.56 1 24 A GLU 25 2 91.38 1 25 A SER 26 2 93.17 1 26 A PHE 27 2 97.11 1 27 A THR 28 2 95.63 1 28 A ASP 29 2 90.69 1 29 A TYR 30 2 90.43 1 30 A PHE 31 2 96.18 1 31 A MET 32 2 95.09 1 32 A ASP 33 2 90.09 1 33 A SER 34 2 91.07 1 34 A GLU 35 2 91.45 1 35 A VAL 36 2 94.90 1 36 A PHE 37 2 80.73 1 37 A ALA 38 2 94.31 1 38 A GLY 39 2 94.41 1 39 A SER 40 2 94.98 1 40 A TRP 41 2 97.78 1 41 A GLY 42 2 97.86 1 42 A PHE 43 2 94.86 1 43 A TRP 44 2 97.85 1 44 A LEU 45 2 98.30 1 45 A ILE 46 2 98.29 1 46 A GLY 47 2 98.19 1 47 A LYS 48 2 95.28 1 48 A GLY 49 2 97.66 1 49 A TYR 50 2 97.11 1 50 A VAL 51 2 97.35 1 51 A GLU 52 2 92.99 1 52 A ARG 53 2 95.48 1 53 A GLY 54 2 97.62 1 54 A ASN 55 2 95.28 1 55 A ALA 56 2 95.69 1 56 A ILE 57 2 95.96 1 57 A ILE 58 2 94.48 1 58 A ASN 59 2 91.64 1 59 A ALA 60 2 92.41 1 60 A TYR 61 2 87.12 1 61 A ASN 62 2 86.13 1 62 A LYS 63 2 80.96 1 63 A ALA 64 2 84.26 1 64 A ASN 65 2 65.75 1 65 A LYS 66 2 62.16 1 66 A LYS 67 2 57.40 1 67 A HIS 68 2 59.87 1 68 A TRP 69 2 81.89 1 69 A SER 70 2 84.27 1 70 A ASP 71 2 91.17 1 71 A GLN 72 2 88.34 1 72 A GLU 73 2 93.21 1 73 A LEU 74 2 96.14 1 74 A CYS 75 2 95.90 1 75 A PHE 76 2 96.48 1 76 A ALA 77 2 97.50 1 77 A VAL 78 2 97.66 1 78 A ASN 79 2 96.51 1 79 A ALA 80 2 97.33 1 80 A SER 81 2 96.39 1 81 A PRO 82 2 96.16 1 82 A LEU 83 2 96.02 1 83 A ARG 84 2 86.33 1 84 A TRP 85 2 89.57 1 85 A ASP 86 2 92.97 1 86 A ALA 87 2 95.44 1 87 A ALA 88 2 95.47 1 88 A SER 89 2 90.57 1 89 A ASN 90 2 88.15 1 90 A GLU 91 2 84.93 1 91 A PHE 92 2 92.19 1 92 A TYR 93 2 90.78 1 93 A PRO 94 2 95.56 1 94 A TRP 95 2 86.11 1 95 A GLY 96 2 95.89 1 96 A LEU 97 2 94.85 1 97 A ASP 98 2 91.95 1 98 A GLN 99 2 81.81 1 99 A GLY 100 2 91.19 1 100 A ILE 101 2 85.21 1 101 A ASN 102 2 89.05 1 102 A LEU 103 2 95.68 1 103 A ASP 104 2 93.33 1 104 A LEU 105 2 95.26 1 105 A ALA 106 2 97.51 1 106 A ILE 107 2 96.76 1 107 A ASN 108 2 92.48 1 108 A ALA 109 2 98.13 1 109 A ASP 110 2 98.05 1 110 A TYR 111 2 98.00 1 111 A LYS 112 2 95.54 1 112 A LEU 113 2 96.57 1 113 A TRP 114 2 98.01 1 114 A ALA 115 2 98.70 1 115 A GLU 116 2 97.73 1 116 A PHE 117 2 98.25 1 117 A LEU 118 2 98.33 1 118 A ILE 119 2 97.98 1 119 A SER 120 2 94.42 1 120 A SER 121 2 92.12 1 121 A ASP 122 2 91.53 1 122 A ARG 123 2 85.38 1 123 A TYR 124 2 96.55 1 124 A TYR 125 2 96.92 1 125 A GLU 126 2 87.97 1 126 A PRO 127 2 96.77 1 127 A PHE 128 2 97.13 1 128 A LEU 129 2 97.18 1 129 A LYS 130 2 89.23 1 130 A TYR 131 2 97.21 1 131 A LEU 132 2 97.86 1 132 A GLU 133 2 95.88 1 133 A ASN 134 2 95.18 1 134 A PHE 135 2 96.45 1 135 A GLU 136 2 96.46 1 136 A ALA 137 2 96.94 1 137 A GLY 138 2 95.21 1 138 A GLY 139 2 92.10 1 139 A GLU 140 2 78.07 1 140 A TYR 141 2 79.65 1 141 # _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 ILE . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n ASP . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n GLU . 7 A 7 A 8 1 n ASN . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n ASP . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n ARG . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n LYS . 17 A 17 A 18 1 n ASN . 18 A 18 A 19 1 n PHE . 19 A 19 A 20 1 n GLU . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n LYS . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n GLY . 24 A 24 A 25 1 n GLU . 25 A 25 A 26 1 n SER . 26 A 26 A 27 1 n PHE . 27 A 27 A 28 1 n THR . 28 A 28 A 29 1 n ASP . 29 A 29 A 30 1 n TYR . 30 A 30 A 31 1 n PHE . 31 A 31 A 32 1 n MET . 32 A 32 A 33 1 n ASP . 33 A 33 A 34 1 n SER . 34 A 34 A 35 1 n GLU . 35 A 35 A 36 1 n VAL . 36 A 36 A 37 1 n PHE . 37 A 37 A 38 1 n ALA . 38 A 38 A 39 1 n GLY . 39 A 39 A 40 1 n SER . 40 A 40 A 41 1 n TRP . 41 A 41 A 42 1 n GLY . 42 A 42 A 43 1 n PHE . 43 A 43 A 44 1 n TRP . 44 A 44 A 45 1 n LEU . 45 A 45 A 46 1 n ILE . 46 A 46 A 47 1 n GLY . 47 A 47 A 48 1 n LYS . 48 A 48 A 49 1 n GLY . 49 A 49 A 50 1 n TYR . 50 A 50 A 51 1 n VAL . 51 A 51 A 52 1 n GLU . 52 A 52 A 53 1 n ARG . 53 A 53 A 54 1 n GLY . 54 A 54 A 55 1 n ASN . 55 A 55 A 56 1 n ALA . 56 A 56 A 57 1 n ILE . 57 A 57 A 58 1 n ILE . 58 A 58 A 59 1 n ASN . 59 A 59 A 60 1 n ALA . 60 A 60 A 61 1 n TYR . 61 A 61 A 62 1 n ASN . 62 A 62 A 63 1 n LYS . 63 A 63 A 64 1 n ALA . 64 A 64 A 65 1 n ASN . 65 A 65 A 66 1 n LYS . 66 A 66 A 67 1 n LYS . 67 A 67 A 68 1 n HIS . 68 A 68 A 69 1 n TRP . 69 A 69 A 70 1 n SER . 70 A 70 A 71 1 n ASP . 71 A 71 A 72 1 n GLN . 72 A 72 A 73 1 n GLU . 73 A 73 A 74 1 n LEU . 74 A 74 A 75 1 n CYS . 75 A 75 A 76 1 n PHE . 76 A 76 A 77 1 n ALA . 77 A 77 A 78 1 n VAL . 78 A 78 A 79 1 n ASN . 79 A 79 A 80 1 n ALA . 80 A 80 A 81 1 n SER . 81 A 81 A 82 1 n PRO . 82 A 82 A 83 1 n LEU . 83 A 83 A 84 1 n ARG . 84 A 84 A 85 1 n TRP . 85 A 85 A 86 1 n ASP . 86 A 86 A 87 1 n ALA . 87 A 87 A 88 1 n ALA . 88 A 88 A 89 1 n SER . 89 A 89 A 90 1 n ASN . 90 A 90 A 91 1 n GLU . 91 A 91 A 92 1 n PHE . 92 A 92 A 93 1 n TYR . 93 A 93 A 94 1 n PRO . 94 A 94 A 95 1 n TRP . 95 A 95 A 96 1 n GLY . 96 A 96 A 97 1 n LEU . 97 A 97 A 98 1 n ASP . 98 A 98 A 99 1 n GLN . 99 A 99 A 100 1 n GLY . 100 A 100 A 101 1 n ILE . 101 A 101 A 102 1 n ASN . 102 A 102 A 103 1 n LEU . 103 A 103 A 104 1 n ASP . 104 A 104 A 105 1 n LEU . 105 A 105 A 106 1 n ALA . 106 A 106 A 107 1 n ILE . 107 A 107 A 108 1 n ASN . 108 A 108 A 109 1 n ALA . 109 A 109 A 110 1 n ASP . 110 A 110 A 111 1 n TYR . 111 A 111 A 112 1 n LYS . 112 A 112 A 113 1 n LEU . 113 A 113 A 114 1 n TRP . 114 A 114 A 115 1 n ALA . 115 A 115 A 116 1 n GLU . 116 A 116 A 117 1 n PHE . 117 A 117 A 118 1 n LEU . 118 A 118 A 119 1 n ILE . 119 A 119 A 120 1 n SER . 120 A 120 A 121 1 n SER . 121 A 121 A 122 1 n ASP . 122 A 122 A 123 1 n ARG . 123 A 123 A 124 1 n TYR . 124 A 124 A 125 1 n TYR . 125 A 125 A 126 1 n GLU . 126 A 126 A 127 1 n PRO . 127 A 127 A 128 1 n PHE . 128 A 128 A 129 1 n LEU . 129 A 129 A 130 1 n LYS . 130 A 130 A 131 1 n TYR . 131 A 131 A 132 1 n LEU . 132 A 132 A 133 1 n GLU . 133 A 133 A 134 1 n ASN . 134 A 134 A 135 1 n PHE . 135 A 135 A 136 1 n GLU . 136 A 136 A 137 1 n ALA . 137 A 137 A 138 1 n GLY . 138 A 138 A 139 1 n GLY . 139 A 139 A 140 1 n GLU . 140 A 140 A 141 1 n TYR . 141 A 141 # _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 ? -18.513 -9.058 -5.836 1.00 72.30 1 A 1 ATOM 2 C CA . MET A 1 1 ? -18.108 -8.932 -4.421 1.00 80.52 1 A 1 ATOM 3 C C . MET A 1 1 ? -17.366 -10.193 -4.027 1.00 85.34 1 A 1 ATOM 4 O O . MET A 1 1 ? -17.930 -11.275 -4.155 1.00 83.07 1 A 1 ATOM 5 C CB . MET A 1 1 ? -19.337 -8.680 -3.526 1.00 72.81 1 A 1 ATOM 6 C CG . MET A 1 1 ? -18.952 -8.332 -2.081 1.00 65.44 1 A 1 ATOM 7 S SD . MET A 1 1 ? -20.380 -8.037 -0.989 1.00 63.12 1 A 1 ATOM 8 C CE . MET A 1 1 ? -20.955 -6.428 -1.604 1.00 56.56 1 A 1 ATOM 9 N N . ILE A 1 2 ? -16.118 -10.060 -3.611 1.00 88.78 2 A 1 ATOM 10 C CA . ILE A 1 2 ? -15.303 -11.149 -3.061 1.00 93.39 2 A 1 ATOM 11 C C . ILE A 1 2 ? -15.422 -11.152 -1.532 1.00 95.33 2 A 1 ATOM 12 O O . ILE A 1 2 ? -15.670 -10.118 -0.912 1.00 94.81 2 A 1 ATOM 13 C CB . ILE A 1 2 ? -13.846 -11.041 -3.560 1.00 92.16 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? -13.066 -12.318 -3.193 1.00 90.32 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? -13.146 -9.776 -3.031 1.00 87.16 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? -11.724 -12.440 -3.912 1.00 87.98 2 A 1 ATOM 17 N N . LYS A 1 3 ? -15.282 -12.317 -0.901 1.00 94.50 3 A 1 ATOM 18 C CA . LYS A 1 3 ? -15.256 -12.406 0.563 1.00 95.88 3 A 1 ATOM 19 C C . LYS A 1 3 ? -13.893 -11.948 1.086 1.00 96.51 3 A 1 ATOM 20 O O . LYS A 1 3 ? -12.866 -12.474 0.660 1.00 96.39 3 A 1 ATOM 21 C CB . LYS A 1 3 ? -15.592 -13.842 0.967 1.00 95.24 3 A 1 ATOM 22 C CG . LYS A 1 3 ? -15.765 -13.992 2.477 1.00 91.43 3 A 1 ATOM 23 C CD . LYS A 1 3 ? -16.114 -15.449 2.782 1.00 89.04 3 A 1 ATOM 24 C CE . LYS A 1 3 ? -16.000 -15.732 4.279 1.00 84.50 3 A 1 ATOM 25 N NZ . LYS A 1 3 ? -15.415 -17.081 4.478 1.00 76.98 3 A 1 ATOM 26 N N . VAL A 1 4 ? -13.889 -10.993 2.012 1.00 96.87 4 A 1 ATOM 27 C CA . VAL A 1 4 ? -12.664 -10.544 2.693 1.00 97.19 4 A 1 ATOM 28 C C . VAL A 1 4 ? -12.384 -11.500 3.852 1.00 97.60 4 A 1 ATOM 29 O O . VAL A 1 4 ? -12.910 -11.346 4.955 1.00 97.27 4 A 1 ATOM 30 C CB . VAL A 1 4 ? -12.767 -9.079 3.155 1.00 96.72 4 A 1 ATOM 31 C CG1 . VAL A 1 4 ? -11.421 -8.591 3.702 1.00 96.05 4 A 1 ATOM 32 C CG2 . VAL A 1 4 ? -13.174 -8.150 2.003 1.00 96.26 4 A 1 ATOM 33 N N . ASP A 1 5 ? -11.617 -12.537 3.587 1.00 97.90 5 A 1 ATOM 34 C CA . ASP A 1 5 ? -11.180 -13.524 4.570 1.00 98.06 5 A 1 ATOM 35 C C . ASP A 1 5 ? -9.699 -13.858 4.390 1.00 98.38 5 A 1 ATOM 36 O O . ASP A 1 5 ? -9.049 -13.426 3.438 1.00 98.38 5 A 1 ATOM 37 C CB . ASP A 1 5 ? -12.076 -14.772 4.550 1.00 97.62 5 A 1 ATOM 38 C CG . ASP A 1 5 ? -12.076 -15.566 3.239 1.00 97.69 5 A 1 ATOM 39 O OD1 . ASP A 1 5 ? -11.154 -15.404 2.414 1.00 96.38 5 A 1 ATOM 40 O OD2 . ASP A 1 5 ? -13.054 -16.341 3.083 1.00 95.93 5 A 1 ATOM 41 N N . ARG A 1 6 ? -9.161 -14.622 5.331 1.00 98.06 6 A 1 ATOM 42 C CA . ARG A 1 6 ? -7.740 -14.970 5.350 1.00 98.11 6 A 1 ATOM 43 C C . ARG A 1 6 ? -7.278 -15.671 4.074 1.00 98.38 6 A 1 ATOM 44 O O . ARG A 1 6 ? -6.177 -15.399 3.616 1.00 98.36 6 A 1 ATOM 45 C CB . ARG A 1 6 ? -7.463 -15.822 6.596 1.00 97.68 6 A 1 ATOM 46 C CG . ARG A 1 6 ? -5.977 -16.163 6.719 1.00 89.55 6 A 1 ATOM 47 C CD . ARG A 1 6 ? -5.717 -16.918 8.015 1.00 84.52 6 A 1 ATOM 48 N NE . ARG A 1 6 ? -4.293 -17.272 8.113 1.00 75.05 6 A 1 ATOM 49 C CZ . ARG A 1 6 ? -3.697 -17.837 9.145 1.00 65.47 6 A 1 ATOM 50 N NH1 . ARG A 1 6 ? -4.351 -18.149 10.232 1.00 60.38 6 A 1 ATOM 51 N NH2 . ARG A 1 6 ? -2.424 -18.095 9.090 1.00 57.83 6 A 1 ATOM 52 N N . GLU A 1 7 ? -8.103 -16.549 3.514 1.00 98.12 7 A 1 ATOM 53 C CA . GLU A 1 7 ? -7.761 -17.307 2.307 1.00 98.18 7 A 1 ATOM 54 C C . GLU A 1 7 ? -7.573 -16.371 1.109 1.00 98.41 7 A 1 ATOM 55 O O . GLU A 1 7 ? -6.528 -16.406 0.456 1.00 98.26 7 A 1 ATOM 56 C CB . GLU A 1 7 ? -8.860 -18.349 2.058 1.00 97.92 7 A 1 ATOM 57 C CG . GLU A 1 7 ? -8.574 -19.248 0.848 1.00 85.45 7 A 1 ATOM 58 C CD . GLU A 1 7 ? -9.650 -20.333 0.637 1.00 82.02 7 A 1 ATOM 59 O OE1 . GLU A 1 7 ? -9.510 -21.092 -0.345 1.00 73.77 7 A 1 ATOM 60 O OE2 . GLU A 1 7 ? -10.590 -20.430 1.465 1.00 77.84 7 A 1 ATOM 61 N N . ASN A 1 8 ? -8.533 -15.469 0.872 1.00 98.41 8 A 1 ATOM 62 C CA . ASN A 1 8 ? -8.440 -14.490 -0.202 1.00 98.41 8 A 1 ATOM 63 C C . ASN A 1 8 ? -7.311 -13.477 0.036 1.00 98.55 8 A 1 ATOM 64 O O . ASN A 1 8 ? -6.563 -13.175 -0.890 1.00 98.50 8 A 1 ATOM 65 C CB . ASN A 1 8 ? -9.802 -13.807 -0.381 1.00 98.25 8 A 1 ATOM 66 C CG . ASN A 1 8 ? -10.803 -14.719 -1.069 1.00 97.80 8 A 1 ATOM 67 O OD1 . ASN A 1 8 ? -10.540 -15.300 -2.110 1.00 95.06 8 A 1 ATOM 68 N ND2 . ASN A 1 8 ? -11.990 -14.859 -0.532 1.00 94.71 8 A 1 ATOM 69 N N . ILE A 1 9 ? -7.128 -12.995 1.265 1.00 98.55 9 A 1 ATOM 70 C CA . ILE A 1 9 ? -6.019 -12.092 1.609 1.00 98.64 9 A 1 ATOM 71 C C . ILE A 1 9 ? -4.669 -12.751 1.300 1.00 98.67 9 A 1 ATOM 72 O O . ILE A 1 9 ? -3.835 -12.152 0.625 1.00 98.68 9 A 1 ATOM 73 C CB . ILE A 1 9 ? -6.110 -11.649 3.088 1.00 98.66 9 A 1 ATOM 74 C CG1 . ILE A 1 9 ? -7.335 -10.731 3.305 1.00 98.40 9 A 1 ATOM 75 C CG2 . ILE A 1 9 ? -4.825 -10.917 3.533 1.00 98.47 9 A 1 ATOM 76 C CD1 . ILE A 1 9 ? -7.712 -10.563 4.782 1.00 97.81 9 A 1 ATOM 77 N N . ASP A 1 10 ? -4.455 -13.985 1.752 1.00 98.68 10 A 1 ATOM 78 C CA . ASP A 1 10 ? -3.206 -14.712 1.518 1.00 98.65 10 A 1 ATOM 79 C C . ASP A 1 10 ? -2.994 -14.993 0.017 1.00 98.69 10 A 1 ATOM 80 O O . ASP A 1 10 ? -1.875 -14.848 -0.485 1.00 98.58 10 A 1 ATOM 81 C CB . ASP A 1 10 ? -3.184 -16.012 2.354 1.00 98.52 10 A 1 ATOM 82 C CG . ASP A 1 10 ? -2.929 -15.823 3.868 1.00 97.90 10 A 1 ATOM 83 O OD1 . ASP A 1 10 ? -2.304 -14.815 4.284 1.00 96.10 10 A 1 ATOM 84 O OD2 . ASP A 1 10 ? -3.220 -16.750 4.666 1.00 95.91 10 A 1 ATOM 85 N N . ALA A 1 11 ? -4.055 -15.328 -0.727 1.00 98.66 11 A 1 ATOM 86 C CA . ALA A 1 11 ? -3.987 -15.554 -2.171 1.00 98.59 11 A 1 ATOM 87 C C . ALA A 1 11 ? -3.593 -14.284 -2.943 1.00 98.65 11 A 1 ATOM 88 O O . ALA A 1 11 ? -2.683 -14.321 -3.773 1.00 98.55 11 A 1 ATOM 89 C CB . ALA A 1 11 ? -5.336 -16.109 -2.651 1.00 98.48 11 A 1 ATOM 90 N N . PHE A 1 12 ? -4.225 -13.148 -2.660 1.00 98.65 12 A 1 ATOM 91 C CA . PHE A 1 12 ? -3.890 -11.886 -3.325 1.00 98.62 12 A 1 ATOM 92 C C . PHE A 1 12 ? -2.526 -11.330 -2.892 1.00 98.67 12 A 1 ATOM 93 O O . PHE A 1 12 ? -1.785 -10.841 -3.741 1.00 98.61 12 A 1 ATOM 94 C CB . PHE A 1 12 ? -5.023 -10.873 -3.133 1.00 98.49 12 A 1 ATOM 95 C CG . PHE A 1 12 ? -6.168 -11.075 -4.108 1.00 98.33 12 A 1 ATOM 96 C CD1 . PHE A 1 12 ? -6.028 -10.644 -5.440 1.00 97.44 12 A 1 ATOM 97 C CD2 . PHE A 1 12 ? -7.356 -11.706 -3.708 1.00 97.72 12 A 1 ATOM 98 C CE1 . PHE A 1 12 ? -7.066 -10.852 -6.368 1.00 96.98 12 A 1 ATOM 99 C CE2 . PHE A 1 12 ? -8.394 -11.918 -4.635 1.00 96.93 12 A 1 ATOM 100 C CZ . PHE A 1 12 ? -8.246 -11.494 -5.966 1.00 96.94 12 A 1 ATOM 101 N N . ALA A 1 13 ? -2.139 -11.485 -1.635 1.00 98.62 13 A 1 ATOM 102 C CA . ALA A 1 13 ? -0.790 -11.145 -1.178 1.00 98.64 13 A 1 ATOM 103 C C . ALA A 1 13 ? 0.289 -11.953 -1.921 1.00 98.60 13 A 1 ATOM 104 O O . ALA A 1 13 ? 1.315 -11.410 -2.327 1.00 98.56 13 A 1 ATOM 105 C CB . ALA A 1 13 ? -0.721 -11.378 0.335 1.00 98.68 13 A 1 ATOM 106 N N . ALA A 1 14 ? 0.039 -13.241 -2.175 1.00 98.64 14 A 1 ATOM 107 C CA . ALA A 1 14 ? 0.941 -14.075 -2.968 1.00 98.59 14 A 1 ATOM 108 C C . ALA A 1 14 ? 1.039 -13.608 -4.430 1.00 98.57 14 A 1 ATOM 109 O O . ALA A 1 14 ? 2.126 -13.659 -5.008 1.00 98.40 14 A 1 ATOM 110 C CB . ALA A 1 14 ? 0.483 -15.535 -2.869 1.00 98.54 14 A 1 ATOM 111 N N . ARG A 1 15 ? -0.057 -13.121 -5.026 1.00 98.60 15 A 1 ATOM 112 C CA . ARG A 1 15 ? -0.055 -12.550 -6.388 1.00 98.59 15 A 1 ATOM 113 C C . ARG A 1 15 ? 0.729 -11.236 -6.458 1.00 98.58 15 A 1 ATOM 114 O O . ARG A 1 15 ? 1.527 -11.082 -7.374 1.00 98.45 15 A 1 ATOM 115 C CB . ARG A 1 15 ? -1.491 -12.372 -6.903 1.00 98.55 15 A 1 ATOM 116 C CG . ARG A 1 15 ? -2.210 -13.711 -7.144 1.00 98.18 15 A 1 ATOM 117 C CD . ARG A 1 15 ? -3.680 -13.511 -7.521 1.00 97.63 15 A 1 ATOM 118 N NE . ARG A 1 15 ? -3.844 -13.039 -8.904 1.00 96.24 15 A 1 ATOM 119 C CZ . ARG A 1 15 ? -4.958 -12.637 -9.494 1.00 96.13 15 A 1 ATOM 120 N NH1 . ARG A 1 15 ? -6.090 -12.532 -8.861 1.00 92.94 15 A 1 ATOM 121 N NH2 . ARG A 1 15 ? -4.959 -12.344 -10.760 1.00 91.90 15 A 1 ATOM 122 N N . ILE A 1 16 ? 0.586 -10.349 -5.470 1.00 98.60 16 A 1 ATOM 123 C CA . ILE A 1 16 ? 1.393 -9.117 -5.358 1.00 98.58 16 A 1 ATOM 124 C C . ILE A 1 16 ? 2.883 -9.464 -5.256 1.00 98.44 16 A 1 ATOM 125 O O . ILE A 1 16 ? 3.696 -8.977 -6.038 1.00 98.25 16 A 1 ATOM 126 C CB . ILE A 1 16 ? 0.943 -8.269 -4.144 1.00 98.62 16 A 1 ATOM 127 C CG1 . ILE A 1 16 ? -0.494 -7.730 -4.343 1.00 98.40 16 A 1 ATOM 128 C CG2 . ILE A 1 16 ? 1.911 -7.093 -3.913 1.00 98.42 16 A 1 ATOM 129 C CD1 . ILE A 1 16 ? -1.117 -7.171 -3.057 1.00 98.05 16 A 1 ATOM 130 N N . LYS A 1 17 ? 3.240 -10.375 -4.361 1.00 98.41 17 A 1 ATOM 131 C CA . LYS A 1 17 ? 4.624 -10.853 -4.230 1.00 98.25 17 A 1 ATOM 132 C C . LYS A 1 17 ? 5.159 -11.454 -5.533 1.00 98.16 17 A 1 ATOM 133 O O . LYS A 1 17 ? 6.317 -11.249 -5.893 1.00 97.90 17 A 1 ATOM 134 C CB . LYS A 1 17 ? 4.676 -11.858 -3.076 1.00 98.02 17 A 1 ATOM 135 C CG . LYS A 1 17 ? 6.090 -12.405 -2.862 1.00 96.88 17 A 1 ATOM 136 C CD . LYS A 1 17 ? 6.120 -13.278 -1.610 1.00 94.84 17 A 1 ATOM 137 C CE . LYS A 1 17 ? 7.555 -13.730 -1.342 1.00 90.05 17 A 1 ATOM 138 N NZ . LYS A 1 17 ? 7.661 -14.304 0.017 1.00 82.69 17 A 1 ATOM 139 N N . ASN A 1 18 ? 4.337 -12.223 -6.244 1.00 98.14 18 A 1 ATOM 140 C CA . ASN A 1 18 ? 4.715 -12.800 -7.533 1.00 97.87 18 A 1 ATOM 141 C C . ASN A 1 18 ? 4.951 -11.720 -8.598 1.00 97.90 18 A 1 ATOM 142 O O . ASN A 1 18 ? 5.859 -11.896 -9.412 1.00 97.66 18 A 1 ATOM 143 C CB . ASN A 1 18 ? 3.645 -13.816 -7.950 1.00 97.48 18 A 1 ATOM 144 C CG . ASN A 1 18 ? 3.861 -14.389 -9.339 1.00 89.88 18 A 1 ATOM 145 O OD1 . ASN A 1 18 ? 4.662 -15.282 -9.573 1.00 81.89 18 A 1 ATOM 146 N ND2 . ASN A 1 18 ? 3.121 -13.905 -10.315 1.00 79.03 18 A 1 ATOM 147 N N . PHE A 1 19 ? 4.191 -10.628 -8.591 1.00 98.06 19 A 1 ATOM 148 C CA . PHE A 1 19 ? 4.451 -9.464 -9.435 1.00 97.99 19 A 1 ATOM 149 C C . PHE A 1 19 ? 5.850 -8.915 -9.159 1.00 97.92 19 A 1 ATOM 150 O O . PHE A 1 19 ? 6.680 -8.952 -10.061 1.00 97.78 19 A 1 ATOM 151 C CB . PHE A 1 19 ? 3.354 -8.398 -9.266 1.00 97.97 19 A 1 ATOM 152 C CG . PHE A 1 19 ? 3.705 -7.068 -9.901 1.00 97.93 19 A 1 ATOM 153 C CD1 . PHE A 1 19 ? 4.387 -6.085 -9.157 1.00 97.28 19 A 1 ATOM 154 C CD2 . PHE A 1 19 ? 3.423 -6.838 -11.262 1.00 97.47 19 A 1 ATOM 155 C CE1 . PHE A 1 19 ? 4.796 -4.887 -9.773 1.00 96.86 19 A 1 ATOM 156 C CE2 . PHE A 1 19 ? 3.830 -5.641 -11.874 1.00 96.84 19 A 1 ATOM 157 C CZ . PHE A 1 19 ? 4.523 -4.668 -11.131 1.00 96.83 19 A 1 ATOM 158 N N . GLU A 1 20 ? 6.162 -8.538 -7.921 1.00 97.57 20 A 1 ATOM 159 C CA . GLU A 1 20 ? 7.468 -7.951 -7.585 1.00 97.32 20 A 1 ATOM 160 C C . GLU A 1 20 ? 8.643 -8.879 -7.938 1.00 97.02 20 A 1 ATOM 161 O O . GLU A 1 20 ? 9.633 -8.447 -8.521 1.00 96.28 20 A 1 ATOM 162 C CB . GLU A 1 20 ? 7.526 -7.572 -6.104 1.00 97.38 20 A 1 ATOM 163 C CG . GLU A 1 20 ? 6.520 -6.471 -5.744 1.00 96.93 20 A 1 ATOM 164 C CD . GLU A 1 20 ? 6.827 -5.778 -4.415 1.00 97.04 20 A 1 ATOM 165 O OE1 . GLU A 1 20 ? 6.338 -4.642 -4.232 1.00 94.04 20 A 1 ATOM 166 O OE2 . GLU A 1 20 ? 7.531 -6.373 -3.569 1.00 94.82 20 A 1 ATOM 167 N N . LEU A 1 21 ? 8.511 -10.176 -7.669 1.00 97.16 21 A 1 ATOM 168 C CA . LEU A 1 21 ? 9.559 -11.153 -7.974 1.00 96.67 21 A 1 ATOM 169 C C . LEU A 1 21 ? 9.797 -11.347 -9.478 1.00 96.61 21 A 1 ATOM 170 O O . LEU A 1 21 ? 10.925 -11.619 -9.881 1.00 96.04 21 A 1 ATOM 171 C CB . LEU A 1 21 ? 9.198 -12.505 -7.339 1.00 96.27 21 A 1 ATOM 172 C CG . LEU A 1 21 ? 9.340 -12.560 -5.807 1.00 89.66 21 A 1 ATOM 173 C CD1 . LEU A 1 21 ? 8.799 -13.903 -5.310 1.00 86.72 21 A 1 ATOM 174 C CD2 . LEU A 1 21 ? 10.795 -12.441 -5.353 1.00 87.99 21 A 1 ATOM 175 N N . LYS A 1 22 ? 8.742 -11.307 -10.303 1.00 97.13 22 A 1 ATOM 176 C CA . LYS A 1 22 ? 8.846 -11.571 -11.745 1.00 96.71 22 A 1 ATOM 177 C C . LYS A 1 22 ? 9.106 -10.317 -12.565 1.00 96.81 22 A 1 ATOM 178 O O . LYS A 1 22 ? 9.851 -10.400 -13.533 1.00 96.22 22 A 1 ATOM 179 C CB . LYS A 1 22 ? 7.576 -12.249 -12.256 1.00 96.56 22 A 1 ATOM 180 C CG . LYS A 1 22 ? 7.480 -13.718 -11.835 1.00 92.31 22 A 1 ATOM 181 C CD . LYS A 1 22 ? 6.235 -14.306 -12.508 1.00 85.61 22 A 1 ATOM 182 C CE . LYS A 1 22 ? 6.102 -15.796 -12.224 1.00 79.30 22 A 1 ATOM 183 N NZ . LYS A 1 22 ? 4.770 -16.263 -12.665 1.00 69.84 22 A 1 ATOM 184 N N . ALA A 1 23 ? 8.486 -9.202 -12.194 1.00 96.89 23 A 1 ATOM 185 C CA . ALA A 1 23 ? 8.706 -7.913 -12.831 1.00 96.32 23 A 1 ATOM 186 C C . ALA A 1 23 ? 10.060 -7.316 -12.422 1.00 96.14 23 A 1 ATOM 187 O O . ALA A 1 23 ? 10.700 -6.643 -13.215 1.00 95.04 23 A 1 ATOM 188 C CB . ALA A 1 23 ? 7.536 -6.991 -12.468 1.00 96.07 23 A 1 ATOM 189 N N . GLY A 1 24 ? 10.535 -7.620 -11.210 1.00 96.01 24 A 1 ATOM 190 C CA . GLY A 1 24 ? 11.697 -6.948 -10.628 1.00 95.86 24 A 1 ATOM 191 C C . GLY A 1 24 ? 11.400 -5.506 -10.218 1.00 95.97 24 A 1 ATOM 192 O O . GLY A 1 24 ? 12.329 -4.716 -10.095 1.00 94.40 24 A 1 ATOM 193 N N . GLU A 1 25 ? 10.125 -5.183 -10.034 1.00 95.55 25 A 1 ATOM 194 C CA . GLU A 1 25 ? 9.606 -3.836 -9.811 1.00 95.58 25 A 1 ATOM 195 C C . GLU A 1 25 ? 8.744 -3.783 -8.546 1.00 96.13 25 A 1 ATOM 196 O O . GLU A 1 25 ? 8.240 -4.808 -8.079 1.00 94.69 25 A 1 ATOM 197 C CB . GLU A 1 25 ? 8.785 -3.386 -11.025 1.00 94.34 25 A 1 ATOM 198 C CG . GLU A 1 25 ? 9.584 -3.256 -12.334 1.00 90.93 25 A 1 ATOM 199 C CD . GLU A 1 25 ? 10.667 -2.169 -12.317 1.00 89.75 25 A 1 ATOM 200 O OE1 . GLU A 1 25 ? 11.450 -2.127 -13.295 1.00 82.36 25 A 1 ATOM 201 O OE2 . GLU A 1 25 ? 10.712 -1.375 -11.354 1.00 83.09 25 A 1 ATOM 202 N N . SER A 1 26 ? 8.550 -2.585 -8.003 1.00 96.04 26 A 1 ATOM 203 C CA . SER A 1 26 ? 7.728 -2.380 -6.811 1.00 95.90 26 A 1 ATOM 204 C C . SER A 1 26 ? 6.243 -2.305 -7.173 1.00 96.62 26 A 1 ATOM 205 O O . SER A 1 26 ? 5.825 -1.491 -7.990 1.00 95.75 26 A 1 ATOM 206 C CB . SER A 1 26 ? 8.173 -1.109 -6.091 1.00 93.64 26 A 1 ATOM 207 O OG . SER A 1 26 ? 7.376 -0.906 -4.945 1.00 81.10 26 A 1 ATOM 208 N N . PHE A 1 27 ? 5.410 -3.106 -6.513 1.00 96.91 27 A 1 ATOM 209 C CA . PHE A 1 27 ? 3.957 -3.011 -6.669 1.00 97.23 27 A 1 ATOM 210 C C . PHE A 1 27 ? 3.411 -1.650 -6.209 1.00 97.20 27 A 1 ATOM 211 O O . PHE A 1 27 ? 2.393 -1.178 -6.715 1.00 97.03 27 A 1 ATOM 212 C CB . PHE A 1 27 ? 3.294 -4.161 -5.905 1.00 97.40 27 A 1 ATOM 213 C CG . PHE A 1 27 ? 1.796 -4.228 -6.097 1.00 97.58 27 A 1 ATOM 214 C CD1 . PHE A 1 27 ? 0.926 -3.789 -5.081 1.00 97.09 27 A 1 ATOM 215 C CD2 . PHE A 1 27 ? 1.268 -4.688 -7.320 1.00 97.34 27 A 1 ATOM 216 C CE1 . PHE A 1 27 ? -0.464 -3.812 -5.285 1.00 96.67 27 A 1 ATOM 217 C CE2 . PHE A 1 27 ? -0.119 -4.706 -7.526 1.00 96.71 27 A 1 ATOM 218 C CZ . PHE A 1 27 ? -0.985 -4.267 -6.509 1.00 97.02 27 A 1 ATOM 219 N N . THR A 1 28 ? 4.100 -0.998 -5.268 1.00 97.08 28 A 1 ATOM 220 C CA . THR A 1 28 ? 3.697 0.340 -4.829 1.00 96.79 28 A 1 ATOM 221 C C . THR A 1 28 ? 3.932 1.384 -5.918 1.00 96.26 28 A 1 ATOM 222 O O . THR A 1 28 ? 3.039 2.198 -6.129 1.00 95.36 28 A 1 ATOM 223 C CB . THR A 1 28 ? 4.332 0.758 -3.497 1.00 96.52 28 A 1 ATOM 224 O OG1 . THR A 1 28 ? 5.724 0.840 -3.537 1.00 94.12 28 A 1 ATOM 225 C CG2 . THR A 1 28 ? 3.971 -0.210 -2.370 1.00 93.28 28 A 1 ATOM 226 N N . ASP A 1 29 ? 5.031 1.308 -6.676 1.00 95.80 29 A 1 ATOM 227 C CA . ASP A 1 29 ? 5.319 2.214 -7.803 1.00 94.81 29 A 1 ATOM 228 C C . ASP A 1 29 ? 4.319 2.050 -8.952 1.00 94.78 29 A 1 ATOM 229 O O . ASP A 1 29 ? 3.842 3.023 -9.525 1.00 93.30 29 A 1 ATOM 230 C CB . ASP A 1 29 ? 6.734 1.962 -8.360 1.00 93.31 29 A 1 ATOM 231 C CG . ASP A 1 29 ? 7.864 2.404 -7.430 1.00 86.98 29 A 1 ATOM 232 O OD1 . ASP A 1 29 ? 7.763 3.520 -6.889 1.00 83.94 29 A 1 ATOM 233 O OD2 . ASP A 1 29 ? 8.831 1.633 -7.260 1.00 82.59 29 A 1 ATOM 234 N N . TYR A 1 30 ? 3.991 0.802 -9.288 1.00 94.49 30 A 1 ATOM 235 C CA . TYR A 1 30 ? 3.241 0.497 -10.506 1.00 94.08 30 A 1 ATOM 236 C C . TYR A 1 30 ? 1.724 0.431 -10.307 1.00 93.98 30 A 1 ATOM 237 O O . TYR A 1 30 ? 0.981 0.511 -11.281 1.00 91.90 30 A 1 ATOM 238 C CB . TYR A 1 30 ? 3.800 -0.785 -11.117 1.00 93.83 30 A 1 ATOM 239 C CG . TYR A 1 30 ? 5.104 -0.561 -11.860 1.00 92.51 30 A 1 ATOM 240 C CD1 . TYR A 1 30 ? 5.095 -0.390 -13.258 1.00 89.13 30 A 1 ATOM 241 C CD2 . TYR A 1 30 ? 6.320 -0.489 -11.157 1.00 89.73 30 A 1 ATOM 242 C CE1 . TYR A 1 30 ? 6.300 -0.171 -13.954 1.00 86.44 30 A 1 ATOM 243 C CE2 . TYR A 1 30 ? 7.525 -0.267 -11.845 1.00 87.04 30 A 1 ATOM 244 C CZ . TYR A 1 30 ? 7.517 -0.117 -13.248 1.00 87.34 30 A 1 ATOM 245 O OH . TYR A 1 30 ? 8.688 0.070 -13.914 1.00 84.70 30 A 1 ATOM 246 N N . PHE A 1 31 ? 1.249 0.290 -9.080 1.00 96.01 31 A 1 ATOM 247 C CA . PHE A 1 31 ? -0.184 0.188 -8.818 1.00 96.20 31 A 1 ATOM 248 C C . PHE A 1 31 ? -0.656 1.040 -7.634 1.00 95.89 31 A 1 ATOM 249 O O . PHE A 1 31 ? -1.575 1.844 -7.785 1.00 94.95 31 A 1 ATOM 250 C CB . PHE A 1 31 ? -0.567 -1.290 -8.639 1.00 96.50 31 A 1 ATOM 251 C CG . PHE A 1 31 ? -2.063 -1.487 -8.514 1.00 97.02 31 A 1 ATOM 252 C CD1 . PHE A 1 31 ? -2.675 -1.512 -7.244 1.00 96.32 31 A 1 ATOM 253 C CD2 . PHE A 1 31 ? -2.857 -1.559 -9.672 1.00 96.64 31 A 1 ATOM 254 C CE1 . PHE A 1 31 ? -4.075 -1.594 -7.136 1.00 95.90 31 A 1 ATOM 255 C CE2 . PHE A 1 31 ? -4.257 -1.643 -9.564 1.00 96.17 31 A 1 ATOM 256 C CZ . PHE A 1 31 ? -4.865 -1.653 -8.296 1.00 96.43 31 A 1 ATOM 257 N N . MET A 1 32 ? -0.075 0.874 -6.451 1.00 96.57 32 A 1 ATOM 258 C CA . MET A 1 32 ? -0.638 1.472 -5.236 1.00 96.43 32 A 1 ATOM 259 C C . MET A 1 32 ? -0.633 3.001 -5.296 1.00 95.99 32 A 1 ATOM 260 O O . MET A 1 32 ? -1.651 3.616 -4.987 1.00 95.21 32 A 1 ATOM 261 C CB . MET A 1 32 ? 0.108 0.985 -3.981 1.00 96.38 32 A 1 ATOM 262 C CG . MET A 1 32 ? -0.073 -0.512 -3.713 1.00 94.96 32 A 1 ATOM 263 S SD . MET A 1 32 ? -1.710 -0.990 -3.072 1.00 94.60 32 A 1 ATOM 264 C CE . MET A 1 32 ? -1.583 -0.366 -1.371 1.00 90.58 32 A 1 ATOM 265 N N . ASP A 1 33 ? 0.471 3.618 -5.726 1.00 94.90 33 A 1 ATOM 266 C CA . ASP A 1 33 ? 0.627 5.079 -5.741 1.00 93.74 33 A 1 ATOM 267 C C . ASP A 1 33 ? -0.354 5.777 -6.702 1.00 93.33 33 A 1 ATOM 268 O O . ASP A 1 33 ? -0.857 6.865 -6.417 1.00 91.66 33 A 1 ATOM 269 C CB . ASP A 1 33 ? 2.085 5.414 -6.092 1.00 92.19 33 A 1 ATOM 270 C CG . ASP A 1 33 ? 2.443 6.856 -5.733 1.00 88.12 33 A 1 ATOM 271 O OD1 . ASP A 1 33 ? 2.311 7.220 -4.541 1.00 84.19 33 A 1 ATOM 272 O OD2 . ASP A 1 33 ? 2.901 7.615 -6.610 1.00 82.58 33 A 1 ATOM 273 N N . SER A 1 34 ? -0.687 5.126 -7.827 1.00 93.19 34 A 1 ATOM 274 C CA . SER A 1 34 ? -1.615 5.680 -8.823 1.00 92.63 34 A 1 ATOM 275 C C . SER A 1 34 ? -3.090 5.386 -8.522 1.00 92.92 34 A 1 ATOM 276 O O . SER A 1 34 ? -3.952 6.218 -8.807 1.00 91.90 34 A 1 ATOM 277 C CB . SER A 1 34 ? -1.242 5.183 -10.225 1.00 91.51 34 A 1 ATOM 278 O OG . SER A 1 34 ? -1.269 3.772 -10.305 1.00 84.30 34 A 1 ATOM 279 N N . GLU A 1 35 ? -3.394 4.221 -7.952 1.00 94.00 35 A 1 ATOM 280 C CA . GLU A 1 35 ? -4.783 3.764 -7.785 1.00 94.31 35 A 1 ATOM 281 C C . GLU A 1 35 ? -5.359 4.029 -6.390 1.00 94.58 35 A 1 ATOM 282 O O . GLU A 1 35 ? -6.581 4.201 -6.235 1.00 93.65 35 A 1 ATOM 283 C CB . GLU A 1 35 ? -4.880 2.269 -8.124 1.00 94.34 35 A 1 ATOM 284 C CG . GLU A 1 35 ? -4.662 1.978 -9.617 1.00 91.62 35 A 1 ATOM 285 C CD . GLU A 1 35 ? -5.723 2.639 -10.519 1.00 90.95 35 A 1 ATOM 286 O OE1 . GLU A 1 35 ? -5.379 2.991 -11.667 1.00 84.72 35 A 1 ATOM 287 O OE2 . GLU A 1 35 ? -6.891 2.799 -10.068 1.00 84.85 35 A 1 ATOM 288 N N . VAL A 1 36 ? -4.514 4.074 -5.360 1.00 95.17 36 A 1 ATOM 289 C CA . VAL A 1 36 ? -4.972 4.184 -3.973 1.00 95.27 36 A 1 ATOM 290 C C . VAL A 1 36 ? -5.027 5.643 -3.534 1.00 94.80 36 A 1 ATOM 291 O O . VAL A 1 36 ? -4.024 6.332 -3.388 1.00 94.05 36 A 1 ATOM 292 C CB . VAL A 1 36 ? -4.131 3.315 -3.024 1.00 95.52 36 A 1 ATOM 293 C CG1 . VAL A 1 36 ? -4.594 3.469 -1.572 1.00 94.78 36 A 1 ATOM 294 C CG2 . VAL A 1 36 ? -4.269 1.832 -3.398 1.00 94.70 36 A 1 ATOM 295 N N . PHE A 1 37 ? -6.233 6.112 -3.230 1.00 93.70 37 A 1 ATOM 296 C CA . PHE A 1 37 ? -6.400 7.431 -2.629 1.00 93.39 37 A 1 ATOM 297 C C . PHE A 1 37 ? -5.870 7.450 -1.185 1.00 94.32 37 A 1 ATOM 298 O O . PHE A 1 37 ? -6.404 6.763 -0.307 1.00 94.44 37 A 1 ATOM 299 C CB . PHE A 1 37 ? -7.875 7.844 -2.708 1.00 91.90 37 A 1 ATOM 300 C CG . PHE A 1 37 ? -8.159 9.213 -2.117 1.00 81.07 37 A 1 ATOM 301 C CD1 . PHE A 1 37 ? -9.071 9.355 -1.053 1.00 74.49 37 A 1 ATOM 302 C CD2 . PHE A 1 37 ? -7.503 10.351 -2.621 1.00 73.49 37 A 1 ATOM 303 C CE1 . PHE A 1 37 ? -9.320 10.622 -0.496 1.00 63.59 37 A 1 ATOM 304 C CE2 . PHE A 1 37 ? -7.743 11.614 -2.060 1.00 64.41 37 A 1 ATOM 305 C CZ . PHE A 1 37 ? -8.653 11.751 -0.998 1.00 63.27 37 A 1 ATOM 306 N N . ALA A 1 38 ? -4.873 8.306 -0.920 1.00 93.79 38 A 1 ATOM 307 C CA . ALA A 1 38 ? -4.204 8.410 0.382 1.00 94.19 38 A 1 ATOM 308 C C . ALA A 1 38 ? -5.169 8.619 1.565 1.00 95.11 38 A 1 ATOM 309 O O . ALA A 1 38 ? -4.966 8.069 2.644 1.00 95.12 38 A 1 ATOM 310 C CB . ALA A 1 38 ? -3.193 9.564 0.303 1.00 93.35 38 A 1 ATOM 311 N N . GLY A 1 39 ? -6.254 9.372 1.364 1.00 93.38 39 A 1 ATOM 312 C CA . GLY A 1 39 ? -7.289 9.540 2.388 1.00 93.71 39 A 1 ATOM 313 C C . GLY A 1 39 ? -8.019 8.233 2.716 1.00 95.22 39 A 1 ATOM 314 O O . GLY A 1 39 ? -8.161 7.903 3.889 1.00 95.32 39 A 1 ATOM 315 N N . SER A 1 40 ? -8.437 7.464 1.702 1.00 95.14 40 A 1 ATOM 316 C CA . SER A 1 40 ? -9.086 6.159 1.909 1.00 96.05 40 A 1 ATOM 317 C C . SER A 1 40 ? -8.169 5.195 2.657 1.00 97.09 40 A 1 ATOM 318 O O . SER A 1 40 ? -8.596 4.581 3.632 1.00 97.16 40 A 1 ATOM 319 C CB . SER A 1 40 ? -9.481 5.510 0.575 1.00 95.15 40 A 1 ATOM 320 O OG . SER A 1 40 ? -10.387 6.322 -0.143 1.00 89.31 40 A 1 ATOM 321 N N . TRP A 1 41 ? -6.911 5.120 2.231 1.00 97.05 41 A 1 ATOM 322 C CA . TRP A 1 41 ? -5.894 4.278 2.859 1.00 97.72 41 A 1 ATOM 323 C C . TRP A 1 41 ? -5.606 4.693 4.303 1.00 98.00 41 A 1 ATOM 324 O O . TRP A 1 41 ? -5.670 3.862 5.208 1.00 97.93 41 A 1 ATOM 325 C CB . TRP A 1 41 ? -4.632 4.349 2.001 1.00 97.79 41 A 1 ATOM 326 C CG . TRP A 1 41 ? -3.466 3.591 2.554 1.00 98.02 41 A 1 ATOM 327 C CD1 . TRP A 1 41 ? -2.262 4.117 2.866 1.00 97.60 41 A 1 ATOM 328 C CD2 . TRP A 1 41 ? -3.374 2.167 2.842 1.00 98.11 41 A 1 ATOM 329 N NE1 . TRP A 1 41 ? -1.422 3.117 3.305 1.00 97.61 41 A 1 ATOM 330 C CE2 . TRP A 1 41 ? -2.053 1.895 3.303 1.00 97.97 41 A 1 ATOM 331 C CE3 . TRP A 1 41 ? -4.261 1.078 2.746 1.00 97.97 41 A 1 ATOM 332 C CZ2 . TRP A 1 41 ? -1.630 0.599 3.636 1.00 97.77 41 A 1 ATOM 333 C CZ3 . TRP A 1 41 ? -3.847 -0.223 3.086 1.00 97.77 41 A 1 ATOM 334 C CH2 . TRP A 1 41 ? -2.536 -0.461 3.524 1.00 97.62 41 A 1 ATOM 335 N N . GLY A 1 42 ? -5.376 5.980 4.547 1.00 97.18 42 A 1 ATOM 336 C CA . GLY A 1 42 ? -5.093 6.501 5.884 1.00 97.66 42 A 1 ATOM 337 C C . GLY A 1 42 ? -6.235 6.266 6.879 1.00 98.23 42 A 1 ATOM 338 O O . GLY A 1 42 ? -6.000 5.787 7.987 1.00 98.36 42 A 1 ATOM 339 N N . PHE A 1 43 ? -7.481 6.533 6.487 1.00 98.00 43 A 1 ATOM 340 C CA . PHE A 1 43 ? -8.631 6.253 7.358 1.00 98.06 43 A 1 ATOM 341 C C . PHE A 1 43 ? -8.862 4.755 7.573 1.00 98.29 43 A 1 ATOM 342 O O . PHE A 1 43 ? -9.229 4.346 8.678 1.00 98.19 43 A 1 ATOM 343 C CB . PHE A 1 43 ? -9.900 6.913 6.802 1.00 97.54 43 A 1 ATOM 344 C CG . PHE A 1 43 ? -9.987 8.404 7.067 1.00 95.96 43 A 1 ATOM 345 C CD1 . PHE A 1 43 ? -10.062 8.881 8.389 1.00 93.03 43 A 1 ATOM 346 C CD2 . PHE A 1 43 ? -10.009 9.320 5.999 1.00 92.94 43 A 1 ATOM 347 C CE1 . PHE A 1 43 ? -10.141 10.263 8.642 1.00 90.84 43 A 1 ATOM 348 C CE2 . PHE A 1 43 ? -10.087 10.698 6.251 1.00 90.52 43 A 1 ATOM 349 C CZ . PHE A 1 43 ? -10.150 11.170 7.571 1.00 90.09 43 A 1 ATOM 350 N N . TRP A 1 44 ? -8.614 3.930 6.552 1.00 98.04 44 A 1 ATOM 351 C CA . TRP A 1 44 ? -8.695 2.481 6.702 1.00 98.14 44 A 1 ATOM 352 C C . TRP A 1 44 ? -7.630 1.958 7.678 1.00 98.30 44 A 1 ATOM 353 O O . TRP A 1 44 ? -7.966 1.191 8.580 1.00 98.24 44 A 1 ATOM 354 C CB . TRP A 1 44 ? -8.603 1.825 5.328 1.00 98.11 44 A 1 ATOM 355 C CG . TRP A 1 44 ? -8.774 0.341 5.354 1.00 98.08 44 A 1 ATOM 356 C CD1 . TRP A 1 44 ? -9.947 -0.325 5.238 1.00 97.58 44 A 1 ATOM 357 C CD2 . TRP A 1 44 ? -7.746 -0.678 5.500 1.00 98.14 44 A 1 ATOM 358 N NE1 . TRP A 1 44 ? -9.714 -1.685 5.280 1.00 97.47 44 A 1 ATOM 359 C CE2 . TRP A 1 44 ? -8.373 -1.958 5.430 1.00 97.88 44 A 1 ATOM 360 C CE3 . TRP A 1 44 ? -6.344 -0.650 5.654 1.00 97.72 44 A 1 ATOM 361 C CZ2 . TRP A 1 44 ? -7.643 -3.153 5.487 1.00 97.43 44 A 1 ATOM 362 C CZ3 . TRP A 1 44 ? -5.608 -1.843 5.724 1.00 97.45 44 A 1 ATOM 363 C CH2 . TRP A 1 44 ? -6.252 -3.088 5.631 1.00 97.27 44 A 1 ATOM 364 N N . LEU A 1 45 ? -6.387 2.454 7.591 1.00 98.45 45 A 1 ATOM 365 C CA . LEU A 1 45 ? -5.318 2.129 8.542 1.00 98.53 45 A 1 ATOM 366 C C . LEU A 1 45 ? -5.675 2.509 9.986 1.00 98.55 45 A 1 ATOM 367 O O . LEU A 1 45 ? -5.446 1.717 10.897 1.00 98.48 45 A 1 ATOM 368 C CB . LEU A 1 45 ? -4.020 2.837 8.126 1.00 98.53 45 A 1 ATOM 369 C CG . LEU A 1 45 ? -3.272 2.206 6.942 1.00 98.23 45 A 1 ATOM 370 C CD1 . LEU A 1 45 ? -2.039 3.068 6.643 1.00 97.85 45 A 1 ATOM 371 C CD2 . LEU A 1 45 ? -2.787 0.789 7.251 1.00 97.79 45 A 1 ATOM 372 N N . ILE A 1 46 ? -6.293 3.677 10.204 1.00 98.63 46 A 1 ATOM 373 C CA . ILE A 1 46 ? -6.803 4.063 11.534 1.00 98.63 46 A 1 ATOM 374 C C . ILE A 1 46 ? -7.811 3.023 12.038 1.00 98.59 46 A 1 ATOM 375 O O . ILE A 1 46 ? -7.707 2.560 13.172 1.00 98.35 46 A 1 ATOM 376 C CB . ILE A 1 46 ? -7.415 5.486 11.512 1.00 98.55 46 A 1 ATOM 377 C CG1 . ILE A 1 46 ? -6.311 6.539 11.277 1.00 98.20 46 A 1 ATOM 378 C CG2 . ILE A 1 46 ? -8.160 5.799 12.826 1.00 98.19 46 A 1 ATOM 379 C CD1 . ILE A 1 46 ? -6.835 7.947 10.979 1.00 97.22 46 A 1 ATOM 380 N N . GLY A 1 47 ? -8.757 2.611 11.188 1.00 98.40 47 A 1 ATOM 381 C CA . GLY A 1 47 ? -9.737 1.569 11.521 1.00 98.24 47 A 1 ATOM 382 C C . GLY A 1 47 ? -9.111 0.199 11.825 1.00 98.27 47 A 1 ATOM 383 O O . GLY A 1 47 ? -9.674 -0.576 12.596 1.00 97.87 47 A 1 ATOM 384 N N . LYS A 1 48 ? -7.936 -0.086 11.266 1.00 97.96 48 A 1 ATOM 385 C CA . LYS A 1 48 ? -7.142 -1.300 11.532 1.00 97.66 48 A 1 ATOM 386 C C . LYS A 1 48 ? -6.250 -1.198 12.779 1.00 97.72 48 A 1 ATOM 387 O O . LYS A 1 48 ? -5.614 -2.182 13.139 1.00 96.94 48 A 1 ATOM 388 C CB . LYS A 1 48 ? -6.313 -1.654 10.284 1.00 97.24 48 A 1 ATOM 389 C CG . LYS A 1 48 ? -7.150 -2.059 9.060 1.00 95.59 48 A 1 ATOM 390 C CD . LYS A 1 48 ? -7.906 -3.387 9.214 1.00 93.95 48 A 1 ATOM 391 C CE . LYS A 1 48 ? -6.923 -4.560 9.338 1.00 91.97 48 A 1 ATOM 392 N NZ . LYS A 1 48 ? -7.618 -5.865 9.251 1.00 88.53 48 A 1 ATOM 393 N N . GLY A 1 49 ? -6.195 -0.030 13.433 1.00 98.09 49 A 1 ATOM 394 C CA . GLY A 1 49 ? -5.378 0.217 14.627 1.00 97.73 49 A 1 ATOM 395 C C . GLY A 1 49 ? -4.009 0.858 14.362 1.00 97.78 49 A 1 ATOM 396 O O . GLY A 1 49 ? -3.289 1.143 15.315 1.00 97.05 49 A 1 ATOM 397 N N . TYR A 1 50 ? -3.658 1.155 13.109 1.00 97.89 50 A 1 ATOM 398 C CA . TYR A 1 50 ? -2.443 1.888 12.731 1.00 97.76 50 A 1 ATOM 399 C C . TYR A 1 50 ? -2.667 3.408 12.825 1.00 97.86 50 A 1 ATOM 400 O O . TYR A 1 50 ? -2.591 4.138 11.833 1.00 97.43 50 A 1 ATOM 401 C CB . TYR A 1 50 ? -1.975 1.455 11.337 1.00 97.68 50 A 1 ATOM 402 C CG . TYR A 1 50 ? -1.635 -0.012 11.196 1.00 97.68 50 A 1 ATOM 403 C CD1 . TYR A 1 50 ? -0.332 -0.465 11.481 1.00 96.78 50 A 1 ATOM 404 C CD2 . TYR A 1 50 ? -2.612 -0.925 10.757 1.00 97.02 50 A 1 ATOM 405 C CE1 . TYR A 1 50 ? -0.006 -1.824 11.314 1.00 96.40 50 A 1 ATOM 406 C CE2 . TYR A 1 50 ? -2.289 -2.287 10.596 1.00 96.52 50 A 1 ATOM 407 C CZ . TYR A 1 50 ? -0.982 -2.737 10.869 1.00 96.64 50 A 1 ATOM 408 O OH . TYR A 1 50 ? -0.665 -4.049 10.698 1.00 95.61 50 A 1 ATOM 409 N N . VAL A 1 51 ? -3.007 3.886 14.021 1.00 97.76 51 A 1 ATOM 410 C CA . VAL A 1 51 ? -3.528 5.249 14.238 1.00 97.69 51 A 1 ATOM 411 C C . VAL A 1 51 ? -2.505 6.326 13.867 1.00 97.55 51 A 1 ATOM 412 O O . VAL A 1 51 ? -2.837 7.272 13.150 1.00 97.25 51 A 1 ATOM 413 C CB . VAL A 1 51 ? -4.004 5.416 15.695 1.00 97.64 51 A 1 ATOM 414 C CG1 . VAL A 1 51 ? -4.507 6.839 15.979 1.00 96.86 51 A 1 ATOM 415 C CG2 . VAL A 1 51 ? -5.152 4.448 16.009 1.00 96.70 51 A 1 ATOM 416 N N . GLU A 1 52 ? -1.258 6.184 14.318 1.00 97.17 52 A 1 ATOM 417 C CA . GLU A 1 52 ? -0.178 7.131 14.040 1.00 96.72 52 A 1 ATOM 418 C C . GLU A 1 52 ? 0.145 7.171 12.546 1.00 96.72 52 A 1 ATOM 419 O O . GLU A 1 52 ? 0.226 8.256 11.965 1.00 96.28 52 A 1 ATOM 420 C CB . GLU A 1 52 ? 1.085 6.773 14.843 1.00 96.39 52 A 1 ATOM 421 C CG . GLU A 1 52 ? 0.932 6.871 16.374 1.00 93.18 52 A 1 ATOM 422 C CD . GLU A 1 52 ? 0.200 5.690 17.040 1.00 90.92 52 A 1 ATOM 423 O OE1 . GLU A 1 52 ? -0.043 5.794 18.264 1.00 84.40 52 A 1 ATOM 424 O OE2 . GLU A 1 52 ? -0.161 4.712 16.339 1.00 85.14 52 A 1 ATOM 425 N N . ARG A 1 53 ? 0.245 6.005 11.895 1.00 97.53 53 A 1 ATOM 426 C CA . ARG A 1 53 ? 0.508 5.897 10.452 1.00 97.61 53 A 1 ATOM 427 C C . ARG A 1 53 ? -0.599 6.565 9.636 1.00 97.70 53 A 1 ATOM 428 O O . ARG A 1 53 ? -0.308 7.403 8.792 1.00 97.27 53 A 1 ATOM 429 C CB . ARG A 1 53 ? 0.662 4.415 10.068 1.00 97.06 53 A 1 ATOM 430 C CG . ARG A 1 53 ? 0.961 4.184 8.577 1.00 95.15 53 A 1 ATOM 431 C CD . ARG A 1 53 ? 2.314 4.736 8.101 1.00 95.09 53 A 1 ATOM 432 N NE . ARG A 1 53 ? 3.434 3.996 8.718 1.00 94.62 53 A 1 ATOM 433 C CZ . ARG A 1 53 ? 4.646 3.828 8.201 1.00 96.07 53 A 1 ATOM 434 N NH1 . ARG A 1 53 ? 5.026 4.392 7.099 1.00 90.89 53 A 1 ATOM 435 N NH2 . ARG A 1 53 ? 5.507 3.063 8.793 1.00 91.26 53 A 1 ATOM 436 N N . GLY A 1 54 ? -1.848 6.232 9.896 1.00 97.95 54 A 1 ATOM 437 C CA . GLY A 1 54 ? -2.974 6.805 9.167 1.00 97.83 54 A 1 ATOM 438 C C . GLY A 1 54 ? -3.055 8.327 9.312 1.00 97.51 54 A 1 ATOM 439 O O . GLY A 1 54 ? -3.234 9.030 8.321 1.00 97.20 54 A 1 ATOM 440 N N . ASN A 1 55 ? -2.843 8.858 10.520 1.00 97.43 55 A 1 ATOM 441 C CA . ASN A 1 55 ? -2.799 10.303 10.742 1.00 96.81 55 A 1 ATOM 442 C C . ASN A 1 55 ? -1.604 10.974 10.050 1.00 96.18 55 A 1 ATOM 443 O O . ASN A 1 55 ? -1.782 12.039 9.463 1.00 95.48 55 A 1 ATOM 444 C CB . ASN A 1 55 ? -2.792 10.594 12.250 1.00 96.76 55 A 1 ATOM 445 C CG . ASN A 1 55 ? -4.170 10.462 12.862 1.00 96.08 55 A 1 ATOM 446 O OD1 . ASN A 1 55 ? -5.143 11.029 12.390 1.00 91.97 55 A 1 ATOM 447 N ND2 . ASN A 1 55 ? -4.307 9.723 13.932 1.00 91.57 55 A 1 ATOM 448 N N . ALA A 1 56 ? -0.413 10.362 10.071 1.00 96.41 56 A 1 ATOM 449 C CA . ALA A 1 56 ? 0.762 10.888 9.377 1.00 95.84 56 A 1 ATOM 450 C C . ALA A 1 56 ? 0.507 11.020 7.868 1.00 95.51 56 A 1 ATOM 451 O O . ALA A 1 56 ? 0.731 12.091 7.303 1.00 94.83 56 A 1 ATOM 452 C CB . ALA A 1 56 ? 1.968 9.996 9.694 1.00 95.88 56 A 1 ATOM 453 N N . ILE A 1 57 ? -0.069 9.987 7.233 1.00 96.02 57 A 1 ATOM 454 C CA . ILE A 1 57 ? -0.438 9.993 5.808 1.00 96.03 57 A 1 ATOM 455 C C . ILE A 1 57 ? -1.453 11.102 5.503 1.00 95.45 57 A 1 ATOM 456 O O . ILE A 1 57 ? -1.244 11.919 4.606 1.00 94.75 57 A 1 ATOM 457 C CB . ILE A 1 57 ? -0.992 8.608 5.395 1.00 96.52 57 A 1 ATOM 458 C CG1 . ILE A 1 57 ? 0.111 7.531 5.486 1.00 96.47 57 A 1 ATOM 459 C CG2 . ILE A 1 57 ? -1.576 8.638 3.968 1.00 96.26 57 A 1 ATOM 460 C CD1 . ILE A 1 57 ? -0.439 6.101 5.484 1.00 96.20 57 A 1 ATOM 461 N N . ILE A 1 58 ? -2.551 11.165 6.255 1.00 95.26 58 A 1 ATOM 462 C CA . ILE A 1 58 ? -3.617 12.156 6.033 1.00 94.83 58 A 1 ATOM 463 C C . ILE A 1 58 ? -3.076 13.584 6.192 1.00 94.03 58 A 1 ATOM 464 O O . ILE A 1 58 ? -3.398 14.468 5.392 1.00 93.25 58 A 1 ATOM 465 C CB . ILE A 1 58 ? -4.799 11.886 6.994 1.00 95.26 58 A 1 ATOM 466 C CG1 . ILE A 1 58 ? -5.507 10.561 6.618 1.00 95.09 58 A 1 ATOM 467 C CG2 . ILE A 1 58 ? -5.827 13.037 6.979 1.00 95.13 58 A 1 ATOM 468 C CD1 . ILE A 1 58 ? -6.394 10.017 7.741 1.00 92.97 58 A 1 ATOM 469 N N . ASN A 1 59 ? -2.244 13.827 7.207 1.00 93.97 59 A 1 ATOM 470 C CA . ASN A 1 59 ? -1.663 15.138 7.465 1.00 93.06 59 A 1 ATOM 471 C C . ASN A 1 59 ? -0.668 15.545 6.375 1.00 92.57 59 A 1 ATOM 472 O O . ASN A 1 59 ? -0.759 16.670 5.877 1.00 91.51 59 A 1 ATOM 473 C CB . ASN A 1 59 ? -1.016 15.139 8.857 1.00 93.08 59 A 1 ATOM 474 C CG . ASN A 1 59 ? -2.039 15.144 9.982 1.00 92.10 59 A 1 ATOM 475 O OD1 . ASN A 1 59 ? -3.172 15.584 9.833 1.00 88.53 59 A 1 ATOM 476 N ND2 . ASN A 1 59 ? -1.658 14.704 11.158 1.00 88.28 59 A 1 ATOM 477 N N . ALA A 1 60 ? 0.228 14.641 5.958 1.00 93.09 60 A 1 ATOM 478 C CA . ALA A 1 60 ? 1.183 14.889 4.880 1.00 92.58 60 A 1 ATOM 479 C C . ALA A 1 60 ? 0.464 15.189 3.557 1.00 92.34 60 A 1 ATOM 480 O O . ALA A 1 60 ? 0.709 16.224 2.932 1.00 91.34 60 A 1 ATOM 481 C CB . ALA A 1 60 ? 2.114 13.676 4.772 1.00 92.70 60 A 1 ATOM 482 N N . TYR A 1 61 ? -0.520 14.366 3.190 1.00 92.18 61 A 1 ATOM 483 C CA . TYR A 1 61 ? -1.336 14.567 1.990 1.00 91.46 61 A 1 ATOM 484 C C . TYR A 1 61 ? -2.119 15.889 2.009 1.00 91.04 61 A 1 ATOM 485 O O . TYR A 1 61 ? -2.274 16.556 0.985 1.00 89.72 61 A 1 ATOM 486 C CB . TYR A 1 61 ? -2.299 13.383 1.851 1.00 90.79 61 A 1 ATOM 487 C CG . TYR A 1 61 ? -3.155 13.455 0.601 1.00 89.24 61 A 1 ATOM 488 C CD1 . TYR A 1 61 ? -4.505 13.853 0.678 1.00 85.74 61 A 1 ATOM 489 C CD2 . TYR A 1 61 ? -2.585 13.143 -0.647 1.00 85.25 61 A 1 ATOM 490 C CE1 . TYR A 1 61 ? -5.286 13.920 -0.494 1.00 82.95 61 A 1 ATOM 491 C CE2 . TYR A 1 61 ? -3.363 13.212 -1.819 1.00 83.61 61 A 1 ATOM 492 C CZ . TYR A 1 61 ? -4.715 13.595 -1.743 1.00 82.46 61 A 1 ATOM 493 O OH . TYR A 1 61 ? -5.465 13.651 -2.876 1.00 80.95 61 A 1 ATOM 494 N N . ASN A 1 62 ? -2.627 16.312 3.168 1.00 91.18 62 A 1 ATOM 495 C CA . ASN A 1 62 ? -3.355 17.576 3.286 1.00 89.91 62 A 1 ATOM 496 C C . ASN A 1 62 ? -2.456 18.815 3.213 1.00 88.83 62 A 1 ATOM 497 O O . ASN A 1 62 ? -2.913 19.842 2.701 1.00 87.14 62 A 1 ATOM 498 C CB . ASN A 1 62 ? -4.191 17.569 4.574 1.00 89.73 62 A 1 ATOM 499 C CG . ASN A 1 62 ? -5.488 16.800 4.415 1.00 84.85 62 A 1 ATOM 500 O OD1 . ASN A 1 62 ? -6.142 16.827 3.371 1.00 79.66 62 A 1 ATOM 501 N ND2 . ASN A 1 62 ? -5.944 16.156 5.461 1.00 77.73 62 A 1 ATOM 502 N N . LYS A 1 63 ? -1.211 18.725 3.689 1.00 89.59 63 A 1 ATOM 503 C CA . LYS A 1 63 ? -0.210 19.802 3.625 1.00 88.06 63 A 1 ATOM 504 C C . LYS A 1 63 ? 0.390 19.958 2.223 1.00 87.47 63 A 1 ATOM 505 O O . LYS A 1 63 ? 0.770 21.059 1.839 1.00 85.22 63 A 1 ATOM 506 C CB . LYS A 1 63 ? 0.911 19.526 4.647 1.00 87.11 63 A 1 ATOM 507 C CG . LYS A 1 63 ? 0.510 19.716 6.125 1.00 78.89 63 A 1 ATOM 508 C CD . LYS A 1 63 ? 1.680 19.265 7.030 1.00 77.78 63 A 1 ATOM 509 C CE . LYS A 1 63 ? 1.402 19.371 8.537 1.00 70.35 63 A 1 ATOM 510 N NZ . LYS A 1 63 ? 2.567 18.895 9.347 1.00 64.18 63 A 1 ATOM 511 N N . ALA A 1 64 ? 0.487 18.870 1.456 1.00 88.74 64 A 1 ATOM 512 C CA . ALA A 1 64 ? 1.114 18.845 0.139 1.00 86.13 64 A 1 ATOM 513 C C . ALA A 1 64 ? 0.166 19.264 -1.001 1.00 83.75 64 A 1 ATOM 514 O O . ALA A 1 64 ? -1.053 19.380 -0.850 1.00 77.87 64 A 1 ATOM 515 C CB . ALA A 1 64 ? 1.685 17.442 -0.077 1.00 84.79 64 A 1 ATOM 516 N N . ASN A 1 65 ? 0.737 19.448 -2.202 1.00 75.41 65 A 1 ATOM 517 C CA . ASN A 1 65 ? -0.062 19.507 -3.425 1.00 71.96 65 A 1 ATOM 518 C C . ASN A 1 65 ? -0.624 18.107 -3.721 1.00 71.93 65 A 1 ATOM 519 O O . ASN A 1 65 ? 0.056 17.265 -4.311 1.00 67.38 65 A 1 ATOM 520 C CB . ASN A 1 65 ? 0.777 20.058 -4.592 1.00 67.27 65 A 1 ATOM 521 C CG . ASN A 1 65 ? -0.029 20.160 -5.882 1.00 60.01 65 A 1 ATOM 522 O OD1 . ASN A 1 65 ? -1.155 19.695 -6.011 1.00 56.97 65 A 1 ATOM 523 N ND2 . ASN A 1 65 ? 0.523 20.783 -6.896 1.00 55.07 65 A 1 ATOM 524 N N . LYS A 1 66 ? -1.885 17.896 -3.359 1.00 71.32 66 A 1 ATOM 525 C CA . LYS A 1 66 ? -2.578 16.594 -3.398 1.00 68.59 66 A 1 ATOM 526 C C . LYS A 1 66 ? -2.512 15.872 -4.747 1.00 69.02 66 A 1 ATOM 527 O O . LYS A 1 66 ? -2.564 14.654 -4.780 1.00 63.57 66 A 1 ATOM 528 C CB . LYS A 1 66 ? -4.050 16.781 -2.989 1.00 63.62 66 A 1 ATOM 529 C CG . LYS A 1 66 ? -4.188 17.421 -1.605 1.00 60.78 66 A 1 ATOM 530 C CD . LYS A 1 66 ? -5.643 17.441 -1.123 1.00 57.84 66 A 1 ATOM 531 C CE . LYS A 1 66 ? -5.655 18.090 0.265 1.00 55.58 66 A 1 ATOM 532 N NZ . LYS A 1 66 ? -6.958 17.954 0.952 1.00 49.16 66 A 1 ATOM 533 N N . LYS A 1 67 ? -2.389 16.606 -5.861 1.00 68.37 67 A 1 ATOM 534 C CA . LYS A 1 67 ? -2.331 16.023 -7.210 1.00 66.92 67 A 1 ATOM 535 C C . LYS A 1 67 ? -1.000 15.325 -7.514 1.00 68.70 67 A 1 ATOM 536 O O . LYS A 1 67 ? -0.966 14.472 -8.386 1.00 63.21 67 A 1 ATOM 537 C CB . LYS A 1 67 ? -2.632 17.131 -8.233 1.00 61.35 67 A 1 ATOM 538 C CG . LYS A 1 67 ? -2.793 16.563 -9.647 1.00 54.75 67 A 1 ATOM 539 C CD . LYS A 1 67 ? -3.108 17.655 -10.672 1.00 50.43 67 A 1 ATOM 540 C CE . LYS A 1 67 ? -3.154 16.986 -12.049 1.00 44.72 67 A 1 ATOM 541 N NZ . LYS A 1 67 ? -3.318 17.973 -13.144 1.00 38.14 67 A 1 ATOM 542 N N . HIS A 1 68 ? 0.074 15.741 -6.854 1.00 70.88 68 A 1 ATOM 543 C CA . HIS A 1 68 ? 1.439 15.288 -7.149 1.00 70.67 68 A 1 ATOM 544 C C . HIS A 1 68 ? 2.161 14.751 -5.911 1.00 73.73 68 A 1 ATOM 545 O O . HIS A 1 68 ? 3.371 14.561 -5.948 1.00 68.81 68 A 1 ATOM 546 C CB . HIS A 1 68 ? 2.224 16.446 -7.784 1.00 64.46 68 A 1 ATOM 547 C CG . HIS A 1 68 ? 1.593 16.959 -9.055 1.00 58.01 68 A 1 ATOM 548 N ND1 . HIS A 1 68 ? 1.377 16.227 -10.194 1.00 51.54 68 A 1 ATOM 549 C CD2 . HIS A 1 68 ? 1.104 18.218 -9.292 1.00 49.53 68 A 1 ATOM 550 C CE1 . HIS A 1 68 ? 0.784 17.021 -11.096 1.00 44.92 68 A 1 ATOM 551 N NE2 . HIS A 1 68 ? 0.591 18.250 -10.593 1.00 46.16 68 A 1 ATOM 552 N N . TRP A 1 69 ? 1.439 14.581 -4.813 1.00 79.66 69 A 1 ATOM 553 C CA . TRP A 1 69 ? 2.029 14.045 -3.598 1.00 82.55 69 A 1 ATOM 554 C C . TRP A 1 69 ? 2.168 12.531 -3.711 1.00 83.04 69 A 1 ATOM 555 O O . TRP A 1 69 ? 1.175 11.841 -3.939 1.00 82.14 69 A 1 ATOM 556 C CB . TRP A 1 69 ? 1.194 14.435 -2.388 1.00 82.93 69 A 1 ATOM 557 C CG . TRP A 1 69 ? 1.757 13.929 -1.100 1.00 82.71 69 A 1 ATOM 558 C CD1 . TRP A 1 69 ? 2.758 14.510 -0.400 1.00 80.91 69 A 1 ATOM 559 C CD2 . TRP A 1 69 ? 1.394 12.726 -0.354 1.00 84.55 69 A 1 ATOM 560 N NE1 . TRP A 1 69 ? 3.024 13.766 0.736 1.00 78.85 69 A 1 ATOM 561 C CE2 . TRP A 1 69 ? 2.204 12.663 0.814 1.00 83.35 69 A 1 ATOM 562 C CE3 . TRP A 1 69 ? 0.448 11.700 -0.545 1.00 80.90 69 A 1 ATOM 563 C CZ2 . TRP A 1 69 ? 2.074 11.640 1.764 1.00 83.22 69 A 1 ATOM 564 C CZ3 . TRP A 1 69 ? 0.313 10.665 0.400 1.00 80.93 69 A 1 ATOM 565 C CH2 . TRP A 1 69 ? 1.118 10.640 1.552 1.00 80.68 69 A 1 ATOM 566 N N . SER A 1 70 ? 3.393 12.066 -3.510 1.00 86.06 70 A 1 ATOM 567 C CA . SER A 1 70 ? 3.744 10.654 -3.415 1.00 86.70 70 A 1 ATOM 568 C C . SER A 1 70 ? 4.800 10.502 -2.321 1.00 88.17 70 A 1 ATOM 569 O O . SER A 1 70 ? 5.801 11.214 -2.312 1.00 85.97 70 A 1 ATOM 570 C CB . SER A 1 70 ? 4.260 10.149 -4.766 1.00 83.10 70 A 1 ATOM 571 O OG . SER A 1 70 ? 4.666 8.806 -4.648 1.00 75.65 70 A 1 ATOM 572 N N . ASP A 1 71 ? 4.522 9.626 -1.376 1.00 90.69 71 A 1 ATOM 573 C CA . ASP A 1 71 ? 5.469 9.178 -0.347 1.00 92.39 71 A 1 ATOM 574 C C . ASP A 1 71 ? 5.139 7.713 -0.054 1.00 93.42 71 A 1 ATOM 575 O O . ASP A 1 71 ? 4.347 7.380 0.832 1.00 92.69 71 A 1 ATOM 576 C CB . ASP A 1 71 ? 5.399 10.065 0.901 1.00 91.55 71 A 1 ATOM 577 C CG . ASP A 1 71 ? 6.455 9.709 1.956 1.00 91.36 71 A 1 ATOM 578 O OD1 . ASP A 1 71 ? 6.969 8.566 1.943 1.00 89.17 71 A 1 ATOM 579 O OD2 . ASP A 1 71 ? 6.716 10.586 2.812 1.00 88.07 71 A 1 ATOM 580 N N . GLN A 1 72 ? 5.697 6.831 -0.870 1.00 93.93 72 A 1 ATOM 581 C CA . GLN A 1 72 ? 5.359 5.416 -0.842 1.00 94.41 72 A 1 ATOM 582 C C . GLN A 1 72 ? 5.837 4.728 0.431 1.00 95.52 72 A 1 ATOM 583 O O . GLN A 1 72 ? 5.150 3.844 0.943 1.00 95.09 72 A 1 ATOM 584 C CB . GLN A 1 72 ? 5.957 4.720 -2.055 1.00 92.92 72 A 1 ATOM 585 C CG . GLN A 1 72 ? 5.376 5.242 -3.372 1.00 88.77 72 A 1 ATOM 586 C CD . GLN A 1 72 ? 5.916 4.439 -4.535 1.00 84.66 72 A 1 ATOM 587 O OE1 . GLN A 1 72 ? 6.370 3.318 -4.368 1.00 77.18 72 A 1 ATOM 588 N NE2 . GLN A 1 72 ? 5.887 4.972 -5.724 1.00 72.56 72 A 1 ATOM 589 N N . GLU A 1 73 ? 6.979 5.155 0.980 1.00 94.72 73 A 1 ATOM 590 C CA . GLU A 1 73 ? 7.482 4.601 2.233 1.00 95.68 73 A 1 ATOM 591 C C . GLU A 1 73 ? 6.533 4.954 3.388 1.00 96.28 73 A 1 ATOM 592 O O . GLU A 1 73 ? 6.082 4.071 4.127 1.00 95.96 73 A 1 ATOM 593 C CB . GLU A 1 73 ? 8.918 5.089 2.488 1.00 95.51 73 A 1 ATOM 594 C CG . GLU A 1 73 ? 9.535 4.306 3.655 1.00 93.20 73 A 1 ATOM 595 C CD . GLU A 1 73 ? 10.964 4.715 4.036 1.00 92.57 73 A 1 ATOM 596 O OE1 . GLU A 1 73 ? 11.536 3.985 4.888 1.00 86.87 73 A 1 ATOM 597 O OE2 . GLU A 1 73 ? 11.462 5.749 3.546 1.00 88.13 73 A 1 ATOM 598 N N . LEU A 1 74 ? 6.127 6.223 3.491 1.00 96.53 74 A 1 ATOM 599 C CA . LEU A 1 74 ? 5.140 6.636 4.482 1.00 96.72 74 A 1 ATOM 600 C C . LEU A 1 74 ? 3.790 5.943 4.260 1.00 97.20 74 A 1 ATOM 601 O O . LEU A 1 74 ? 3.171 5.503 5.230 1.00 97.12 74 A 1 ATOM 602 C CB . LEU A 1 74 ? 4.994 8.169 4.471 1.00 96.34 74 A 1 ATOM 603 C CG . LEU A 1 74 ? 3.946 8.704 5.468 1.00 95.71 74 A 1 ATOM 604 C CD1 . LEU A 1 74 ? 4.276 8.359 6.924 1.00 94.70 74 A 1 ATOM 605 C CD2 . LEU A 1 74 ? 3.838 10.222 5.365 1.00 94.77 74 A 1 ATOM 606 N N . CYS A 1 75 ? 3.329 5.829 3.013 1.00 96.57 75 A 1 ATOM 607 C CA . CYS A 1 75 ? 2.027 5.241 2.720 1.00 96.79 75 A 1 ATOM 608 C C . CYS A 1 75 ? 2.002 3.724 2.915 1.00 97.46 75 A 1 ATOM 609 O O . CYS A 1 75 ? 1.140 3.214 3.626 1.00 97.30 75 A 1 ATOM 610 C CB . CYS A 1 75 ? 1.595 5.621 1.298 1.00 95.65 75 A 1 ATOM 611 S SG . CYS A 1 75 ? 1.108 7.365 1.259 1.00 91.62 75 A 1 ATOM 612 N N . PHE A 1 76 ? 2.933 3.000 2.293 1.00 97.45 76 A 1 ATOM 613 C CA . PHE A 1 76 ? 2.741 1.578 2.020 1.00 97.64 76 A 1 ATOM 614 C C . PHE A 1 76 ? 3.705 0.656 2.767 1.00 97.92 76 A 1 ATOM 615 O O . PHE A 1 76 ? 3.333 -0.484 3.036 1.00 97.74 76 A 1 ATOM 616 C CB . PHE A 1 76 ? 2.758 1.364 0.504 1.00 97.32 76 A 1 ATOM 617 C CG . PHE A 1 76 ? 1.788 2.247 -0.272 1.00 96.98 76 A 1 ATOM 618 C CD1 . PHE A 1 76 ? 0.415 2.256 0.041 1.00 95.91 76 A 1 ATOM 619 C CD2 . PHE A 1 76 ? 2.267 3.073 -1.309 1.00 95.86 76 A 1 ATOM 620 C CE1 . PHE A 1 76 ? -0.470 3.089 -0.670 1.00 94.99 76 A 1 ATOM 621 C CE2 . PHE A 1 76 ? 1.382 3.899 -2.023 1.00 94.75 76 A 1 ATOM 622 C CZ . PHE A 1 76 ? 0.014 3.910 -1.703 1.00 94.76 76 A 1 ATOM 623 N N . ALA A 1 77 ? 4.874 1.138 3.197 1.00 97.50 77 A 1 ATOM 624 C CA . ALA A 1 77 ? 5.812 0.345 3.997 1.00 97.56 77 A 1 ATOM 625 C C . ALA A 1 77 ? 5.445 0.365 5.497 1.00 97.73 77 A 1 ATOM 626 O O . ALA A 1 77 ? 6.236 0.752 6.358 1.00 97.40 77 A 1 ATOM 627 C CB . ALA A 1 77 ? 7.242 0.802 3.687 1.00 97.33 77 A 1 ATOM 628 N N . VAL A 1 78 ? 4.208 -0.020 5.823 1.00 97.86 78 A 1 ATOM 629 C CA . VAL A 1 78 ? 3.634 0.103 7.175 1.00 97.91 78 A 1 ATOM 630 C C . VAL A 1 78 ? 4.413 -0.717 8.199 1.00 97.75 78 A 1 ATOM 631 O O . VAL A 1 78 ? 4.699 -0.222 9.295 1.00 97.21 78 A 1 ATOM 632 C CB . VAL A 1 78 ? 2.146 -0.295 7.176 1.00 97.90 78 A 1 ATOM 633 C CG1 . VAL A 1 78 ? 1.519 -0.184 8.570 1.00 97.44 78 A 1 ATOM 634 C CG2 . VAL A 1 78 ? 1.337 0.606 6.229 1.00 97.55 78 A 1 ATOM 635 N N . ASN A 1 79 ? 4.761 -1.956 7.850 1.00 97.61 79 A 1 ATOM 636 C CA . ASN A 1 79 ? 5.530 -2.864 8.697 1.00 97.49 79 A 1 ATOM 637 C C . ASN A 1 79 ? 7.026 -2.826 8.357 1.00 97.57 79 A 1 ATOM 638 O O . ASN A 1 79 ? 7.852 -2.885 9.267 1.00 97.02 79 A 1 ATOM 639 C CB . ASN A 1 79 ? 4.949 -4.280 8.575 1.00 97.57 79 A 1 ATOM 640 C CG . ASN A 1 79 ? 3.500 -4.368 9.010 1.00 97.27 79 A 1 ATOM 641 O OD1 . ASN A 1 79 ? 3.177 -4.404 10.186 1.00 93.60 79 A 1 ATOM 642 N ND2 . ASN A 1 79 ? 2.576 -4.403 8.080 1.00 93.97 79 A 1 ATOM 643 N N . ALA A 1 80 ? 7.385 -2.681 7.075 1.00 97.47 80 A 1 ATOM 644 C CA . ALA A 1 80 ? 8.777 -2.657 6.617 1.00 97.45 80 A 1 ATOM 645 C C . ALA A 1 80 ? 9.533 -1.377 7.033 1.00 97.43 80 A 1 ATOM 646 O O . ALA A 1 80 ? 10.744 -1.422 7.258 1.00 96.91 80 A 1 ATOM 647 C CB . ALA A 1 80 ? 8.783 -2.853 5.100 1.00 97.37 80 A 1 ATOM 648 N N . SER A 1 81 ? 8.827 -0.260 7.210 1.00 97.31 81 A 1 ATOM 649 C CA . SER A 1 81 ? 9.359 1.015 7.704 1.00 97.18 81 A 1 ATOM 650 C C . SER A 1 81 ? 8.505 1.556 8.865 1.00 97.16 81 A 1 ATOM 651 O O . SER A 1 81 ? 7.702 2.478 8.680 1.00 96.78 81 A 1 ATOM 652 C CB . SER A 1 81 ? 9.464 2.032 6.559 1.00 96.88 81 A 1 ATOM 653 O OG . SER A 1 81 ? 10.370 1.589 5.578 1.00 93.06 81 A 1 ATOM 654 N N . PRO A 1 82 ? 8.617 0.991 10.081 1.00 96.90 82 A 1 ATOM 655 C CA . PRO A 1 82 ? 7.870 1.466 11.245 1.00 96.51 82 A 1 ATOM 656 C C . PRO A 1 82 ? 8.087 2.962 11.503 1.00 96.61 82 A 1 ATOM 657 O O . PRO A 1 82 ? 9.178 3.494 11.305 1.00 96.15 82 A 1 ATOM 658 C CB . PRO A 1 82 ? 8.348 0.626 12.433 1.00 95.85 82 A 1 ATOM 659 C CG . PRO A 1 82 ? 8.878 -0.647 11.783 1.00 94.66 82 A 1 ATOM 660 C CD . PRO A 1 82 ? 9.446 -0.146 10.460 1.00 96.46 82 A 1 ATOM 661 N N . LEU A 1 83 ? 7.055 3.646 11.990 1.00 96.88 83 A 1 ATOM 662 C CA . LEU A 1 83 ? 7.181 5.058 12.329 1.00 96.93 83 A 1 ATOM 663 C C . LEU A 1 83 ? 8.062 5.270 13.563 1.00 96.93 83 A 1 ATOM 664 O O . LEU A 1 83 ? 7.946 4.570 14.568 1.00 96.35 83 A 1 ATOM 665 C CB . LEU A 1 83 ? 5.808 5.704 12.552 1.00 96.65 83 A 1 ATOM 666 C CG . LEU A 1 83 ? 4.946 5.871 11.294 1.00 95.63 83 A 1 ATOM 667 C CD1 . LEU A 1 83 ? 3.683 6.641 11.685 1.00 94.40 83 A 1 ATOM 668 C CD2 . LEU A 1 83 ? 5.647 6.645 10.179 1.00 94.37 83 A 1 ATOM 669 N N . ARG A 1 84 ? 8.884 6.325 13.507 1.00 96.51 84 A 1 ATOM 670 C CA . ARG A 1 84 ? 9.619 6.878 14.642 1.00 95.95 84 A 1 ATOM 671 C C . ARG A 1 84 ? 9.201 8.323 14.871 1.00 95.72 84 A 1 ATOM 672 O O . ARG A 1 84 ? 8.848 9.034 13.937 1.00 94.79 84 A 1 ATOM 673 C CB . ARG A 1 84 ? 11.127 6.764 14.405 1.00 95.19 84 A 1 ATOM 674 C CG . ARG A 1 84 ? 11.575 5.297 14.392 1.00 89.60 84 A 1 ATOM 675 C CD . ARG A 1 84 ? 13.099 5.217 14.313 1.00 87.11 84 A 1 ATOM 676 N NE . ARG A 1 84 ? 13.553 3.818 14.304 1.00 80.67 84 A 1 ATOM 677 C CZ . ARG A 1 84 ? 14.803 3.406 14.370 1.00 74.75 84 A 1 ATOM 678 N NH1 . ARG A 1 84 ? 15.803 4.233 14.484 1.00 71.63 84 A 1 ATOM 679 N NH2 . ARG A 1 84 ? 15.071 2.132 14.308 1.00 67.69 84 A 1 ATOM 680 N N . TRP A 1 85 ? 9.241 8.730 16.129 1.00 95.44 85 A 1 ATOM 681 C CA . TRP A 1 85 ? 8.976 10.109 16.512 1.00 95.30 85 A 1 ATOM 682 C C . TRP A 1 85 ? 10.260 10.933 16.434 1.00 95.58 85 A 1 ATOM 683 O O . TRP A 1 85 ? 11.252 10.579 17.078 1.00 94.74 85 A 1 ATOM 684 C CB . TRP A 1 85 ? 8.396 10.134 17.922 1.00 94.05 85 A 1 ATOM 685 C CG . TRP A 1 85 ? 8.089 11.512 18.414 1.00 92.43 85 A 1 ATOM 686 C CD1 . TRP A 1 85 ? 8.796 12.223 19.327 1.00 88.46 85 A 1 ATOM 687 C CD2 . TRP A 1 85 ? 6.986 12.369 18.005 1.00 90.41 85 A 1 ATOM 688 N NE1 . TRP A 1 85 ? 8.193 13.450 19.534 1.00 86.05 85 A 1 ATOM 689 C CE2 . TRP A 1 85 ? 7.060 13.583 18.750 1.00 88.14 85 A 1 ATOM 690 C CE3 . TRP A 1 85 ? 5.915 12.229 17.095 1.00 85.11 85 A 1 ATOM 691 C CZ2 . TRP A 1 85 ? 6.096 14.590 18.623 1.00 84.78 85 A 1 ATOM 692 C CZ3 . TRP A 1 85 ? 4.950 13.233 16.956 1.00 82.04 85 A 1 ATOM 693 C CH2 . TRP A 1 85 ? 5.033 14.403 17.722 1.00 81.51 85 A 1 ATOM 694 N N . ASP A 1 86 ? 10.226 12.045 15.706 1.00 94.23 86 A 1 ATOM 695 C CA . ASP A 1 86 ? 11.269 13.057 15.739 1.00 94.24 86 A 1 ATOM 696 C C . ASP A 1 86 ? 10.834 14.232 16.621 1.00 94.87 86 A 1 ATOM 697 O O . ASP A 1 86 ? 9.925 14.998 16.298 1.00 94.74 86 A 1 ATOM 698 C CB . ASP A 1 86 ? 11.652 13.502 14.323 1.00 93.64 86 A 1 ATOM 699 C CG . ASP A 1 86 ? 12.670 14.648 14.365 1.00 92.93 86 A 1 ATOM 700 O OD1 . ASP A 1 86 ? 13.407 14.769 15.375 1.00 89.99 86 A 1 ATOM 701 O OD2 . ASP A 1 86 ? 12.641 15.476 13.433 1.00 89.11 86 A 1 ATOM 702 N N . ALA A 1 87 ? 11.512 14.387 17.750 1.00 95.51 87 A 1 ATOM 703 C CA . ALA A 1 87 ? 11.212 15.450 18.702 1.00 95.74 87 A 1 ATOM 704 C C . ALA A 1 87 ? 11.554 16.859 18.176 1.00 95.63 87 A 1 ATOM 705 O O . ALA A 1 87 ? 10.989 17.832 18.671 1.00 94.62 87 A 1 ATOM 706 C CB . ALA A 1 87 ? 11.960 15.141 20.007 1.00 95.71 87 A 1 ATOM 707 N N . ALA A 1 88 ? 12.474 16.973 17.204 1.00 96.17 88 A 1 ATOM 708 C CA . ALA A 1 88 ? 12.893 18.268 16.667 1.00 95.95 88 A 1 ATOM 709 C C . ALA A 1 88 ? 11.845 18.854 15.712 1.00 95.36 88 A 1 ATOM 710 O O . ALA A 1 88 ? 11.526 20.039 15.805 1.00 93.76 88 A 1 ATOM 711 C CB . ALA A 1 88 ? 14.258 18.104 15.983 1.00 96.12 88 A 1 ATOM 712 N N . SER A 1 89 ? 11.292 18.018 14.816 1.00 93.97 89 A 1 ATOM 713 C CA . SER A 1 89 ? 10.205 18.411 13.907 1.00 91.45 89 A 1 ATOM 714 C C . SER A 1 89 ? 8.808 18.252 14.524 1.00 90.42 89 A 1 ATOM 715 O O . SER A 1 89 ? 7.848 18.824 14.008 1.00 88.48 89 A 1 ATOM 716 C CB . SER A 1 89 ? 10.304 17.618 12.601 1.00 90.54 89 A 1 ATOM 717 O OG . SER A 1 89 ? 10.232 16.237 12.857 1.00 88.53 89 A 1 ATOM 718 N N . ASN A 1 90 ? 8.689 17.529 15.638 1.00 92.57 90 A 1 ATOM 719 C CA . ASN A 1 90 ? 7.419 17.154 16.264 1.00 91.44 90 A 1 ATOM 720 C C . ASN A 1 90 ? 6.502 16.363 15.305 1.00 90.67 90 A 1 ATOM 721 O O . ASN A 1 90 ? 5.287 16.558 15.267 1.00 88.65 90 A 1 ATOM 722 C CB . ASN A 1 90 ? 6.803 18.404 16.917 1.00 91.20 90 A 1 ATOM 723 C CG . ASN A 1 90 ? 5.632 18.102 17.829 1.00 87.31 90 A 1 ATOM 724 O OD1 . ASN A 1 90 ? 5.774 17.561 18.914 1.00 82.04 90 A 1 ATOM 725 N ND2 . ASN A 1 90 ? 4.436 18.489 17.462 1.00 81.33 90 A 1 ATOM 726 N N . GLU A 1 91 ? 7.111 15.463 14.505 1.00 91.64 91 A 1 ATOM 727 C CA . GLU A 1 91 ? 6.415 14.644 13.507 1.00 91.01 91 A 1 ATOM 728 C C . GLU A 1 91 ? 6.877 13.178 13.551 1.00 92.37 91 A 1 ATOM 729 O O . GLU A 1 91 ? 7.949 12.842 14.062 1.00 91.61 91 A 1 ATOM 730 C CB . GLU A 1 91 ? 6.555 15.262 12.095 1.00 88.30 91 A 1 ATOM 731 C CG . GLU A 1 91 ? 5.842 16.631 11.982 1.00 81.86 91 A 1 ATOM 732 C CD . GLU A 1 91 ? 5.710 17.188 10.555 1.00 80.74 91 A 1 ATOM 733 O OE1 . GLU A 1 91 ? 4.748 17.980 10.321 1.00 73.27 91 A 1 ATOM 734 O OE2 . GLU A 1 91 ? 6.507 16.828 9.676 1.00 73.55 91 A 1 ATOM 735 N N . PHE A 1 92 ? 6.033 12.292 13.024 1.00 92.70 92 A 1 ATOM 736 C CA . PHE A 1 92 ? 6.408 10.910 12.759 1.00 92.71 92 A 1 ATOM 737 C C . PHE A 1 92 ? 7.033 10.793 11.368 1.00 92.73 92 A 1 ATOM 738 O O . PHE A 1 92 ? 6.520 11.372 10.414 1.00 91.67 92 A 1 ATOM 739 C CB . PHE A 1 92 ? 5.185 9.994 12.872 1.00 92.93 92 A 1 ATOM 740 C CG . PHE A 1 92 ? 4.747 9.701 14.291 1.00 93.27 92 A 1 ATOM 741 C CD1 . PHE A 1 92 ? 5.488 8.806 15.080 1.00 91.47 92 A 1 ATOM 742 C CD2 . PHE A 1 92 ? 3.580 10.293 14.811 1.00 92.09 92 A 1 ATOM 743 C CE1 . PHE A 1 92 ? 5.066 8.493 16.387 1.00 91.17 92 A 1 ATOM 744 C CE2 . PHE A 1 92 ? 3.157 9.983 16.114 1.00 91.57 92 A 1 ATOM 745 C CZ . PHE A 1 92 ? 3.900 9.080 16.904 1.00 91.76 92 A 1 ATOM 746 N N . TYR A 1 93 ? 8.080 9.974 11.247 1.00 93.94 93 A 1 ATOM 747 C CA . TYR A 1 93 ? 8.704 9.624 9.974 1.00 94.13 93 A 1 ATOM 748 C C . TYR A 1 93 ? 8.906 8.105 9.868 1.00 95.13 93 A 1 ATOM 749 O O . TYR A 1 93 ? 9.109 7.440 10.897 1.00 95.40 93 A 1 ATOM 750 C CB . TYR A 1 93 ? 10.020 10.400 9.811 1.00 93.44 93 A 1 ATOM 751 C CG . TYR A 1 93 ? 11.119 10.011 10.781 1.00 91.38 93 A 1 ATOM 752 C CD1 . TYR A 1 93 ? 11.137 10.545 12.085 1.00 89.64 93 A 1 ATOM 753 C CD2 . TYR A 1 93 ? 12.122 9.107 10.386 1.00 90.22 93 A 1 ATOM 754 C CE1 . TYR A 1 93 ? 12.152 10.181 12.988 1.00 86.55 93 A 1 ATOM 755 C CE2 . TYR A 1 93 ? 13.141 8.739 11.286 1.00 88.09 93 A 1 ATOM 756 C CZ . TYR A 1 93 ? 13.156 9.276 12.587 1.00 87.53 93 A 1 ATOM 757 O OH . TYR A 1 93 ? 14.140 8.920 13.460 1.00 83.88 93 A 1 ATOM 758 N N . PRO A 1 94 ? 8.822 7.522 8.650 1.00 95.81 94 A 1 ATOM 759 C CA . PRO A 1 94 ? 9.105 6.110 8.439 1.00 96.16 94 A 1 ATOM 760 C C . PRO A 1 94 ? 10.605 5.832 8.626 1.00 96.12 94 A 1 ATOM 761 O O . PRO A 1 94 ? 11.460 6.658 8.306 1.00 95.33 94 A 1 ATOM 762 C CB . PRO A 1 94 ? 8.615 5.811 7.020 1.00 95.66 94 A 1 ATOM 763 C CG . PRO A 1 94 ? 8.802 7.139 6.296 1.00 94.15 94 A 1 ATOM 764 C CD . PRO A 1 94 ? 8.516 8.176 7.381 1.00 95.68 94 A 1 ATOM 765 N N . TRP A 1 95 ? 10.923 4.656 9.156 1.00 96.14 95 A 1 ATOM 766 C CA . TRP A 1 95 ? 12.301 4.198 9.323 1.00 96.04 95 A 1 ATOM 767 C C . TRP A 1 95 ? 12.412 2.736 8.911 1.00 96.50 95 A 1 ATOM 768 O O . TRP A 1 95 ? 11.982 1.844 9.654 1.00 95.76 95 A 1 ATOM 769 C CB . TRP A 1 95 ? 12.756 4.414 10.771 1.00 94.54 95 A 1 ATOM 770 C CG . TRP A 1 95 ? 14.206 4.105 10.974 1.00 90.05 95 A 1 ATOM 771 C CD1 . TRP A 1 95 ? 14.738 2.886 11.228 1.00 83.96 95 A 1 ATOM 772 C CD2 . TRP A 1 95 ? 15.343 5.019 10.871 1.00 86.65 95 A 1 ATOM 773 N NE1 . TRP A 1 95 ? 16.115 2.979 11.298 1.00 78.94 95 A 1 ATOM 774 C CE2 . TRP A 1 95 ? 16.542 4.275 11.085 1.00 82.48 95 A 1 ATOM 775 C CE3 . TRP A 1 95 ? 15.475 6.399 10.613 1.00 77.50 95 A 1 ATOM 776 C CZ2 . TRP A 1 95 ? 17.809 4.874 11.052 1.00 77.86 95 A 1 ATOM 777 C CZ3 . TRP A 1 95 ? 16.743 7.008 10.581 1.00 75.56 95 A 1 ATOM 778 C CH2 . TRP A 1 95 ? 17.908 6.250 10.801 1.00 73.57 95 A 1 ATOM 779 N N . GLY A 1 96 ? 12.981 2.494 7.731 1.00 95.71 96 A 1 ATOM 780 C CA . GLY A 1 96 ? 13.158 1.167 7.156 1.00 95.83 96 A 1 ATOM 781 C C . GLY A 1 96 ? 13.906 0.213 8.089 1.00 96.33 96 A 1 ATOM 782 O O . GLY A 1 96 ? 14.869 0.595 8.761 1.00 95.70 96 A 1 ATOM 783 N N . LEU A 1 97 ? 13.452 -1.036 8.128 1.00 95.56 97 A 1 ATOM 784 C CA . LEU A 1 97 ? 14.152 -2.114 8.820 1.00 95.58 97 A 1 ATOM 785 C C . LEU A 1 97 ? 15.435 -2.488 8.064 1.00 95.26 97 A 1 ATOM 786 O O . LEU A 1 97 ? 15.484 -2.461 6.835 1.00 94.99 97 A 1 ATOM 787 C CB . LEU A 1 97 ? 13.227 -3.331 8.971 1.00 95.89 97 A 1 ATOM 788 C CG . LEU A 1 97 ? 11.999 -3.110 9.875 1.00 94.83 97 A 1 ATOM 789 C CD1 . LEU A 1 97 ? 11.137 -4.374 9.879 1.00 93.18 97 A 1 ATOM 790 C CD2 . LEU A 1 97 ? 12.385 -2.804 11.324 1.00 93.52 97 A 1 ATOM 791 N N . ASP A 1 98 ? 16.456 -2.914 8.806 1.00 95.20 98 A 1 ATOM 792 C CA . ASP A 1 98 ? 17.669 -3.484 8.222 1.00 94.81 98 A 1 ATOM 793 C C . ASP A 1 98 ? 17.362 -4.794 7.473 1.00 94.59 98 A 1 ATOM 794 O O . ASP A 1 98 ? 16.453 -5.550 7.843 1.00 93.26 98 A 1 ATOM 795 C CB . ASP A 1 98 ? 18.727 -3.736 9.312 1.00 94.09 98 A 1 ATOM 796 C CG . ASP A 1 98 ? 19.222 -2.461 10.004 1.00 90.37 98 A 1 ATOM 797 O OD1 . ASP A 1 98 ? 19.467 -1.458 9.298 1.00 86.78 98 A 1 ATOM 798 O OD2 . ASP A 1 98 ? 19.374 -2.504 11.248 1.00 86.52 98 A 1 ATOM 799 N N . GLN A 1 99 ? 18.168 -5.095 6.447 1.00 93.68 99 A 1 ATOM 800 C CA . GLN A 1 99 ? 18.042 -6.332 5.675 1.00 91.93 99 A 1 ATOM 801 C C . GLN A 1 99 ? 18.100 -7.581 6.566 1.00 91.79 99 A 1 ATOM 802 O O . GLN A 1 99 ? 18.894 -7.672 7.504 1.00 89.69 99 A 1 ATOM 803 C CB . GLN A 1 99 ? 19.143 -6.422 4.607 1.00 90.45 99 A 1 ATOM 804 C CG . GLN A 1 99 ? 18.972 -5.371 3.497 1.00 79.01 99 A 1 ATOM 805 C CD . GLN A 1 99 ? 19.997 -5.536 2.373 1.00 72.05 99 A 1 ATOM 806 O OE1 . GLN A 1 99 ? 20.912 -6.345 2.407 1.00 65.68 99 A 1 ATOM 807 N NE2 . GLN A 1 99 ? 19.882 -4.765 1.315 1.00 62.01 99 A 1 ATOM 808 N N . GLY A 1 100 ? 17.274 -8.578 6.220 1.00 90.27 100 A 1 ATOM 809 C CA . GLY A 1 100 ? 17.230 -9.856 6.919 1.00 90.70 100 A 1 ATOM 810 C C . GLY A 1 100 ? 15.808 -10.343 7.175 1.00 92.55 100 A 1 ATOM 811 O O . GLY A 1 100 ? 14.833 -9.750 6.715 1.00 91.22 100 A 1 ATOM 812 N N . ILE A 1 101 ? 15.687 -11.411 7.957 1.00 90.05 101 A 1 ATOM 813 C CA . ILE A 1 101 ? 14.407 -12.103 8.171 1.00 89.36 101 A 1 ATOM 814 C C . ILE A 1 101 ? 13.294 -11.196 8.724 1.00 90.28 101 A 1 ATOM 815 O O . ILE A 1 101 ? 12.127 -11.383 8.390 1.00 91.92 101 A 1 ATOM 816 C CB . ILE A 1 101 ? 14.632 -13.344 9.064 1.00 90.12 101 A 1 ATOM 817 C CG1 . ILE A 1 101 ? 13.397 -14.270 9.021 1.00 79.85 101 A 1 ATOM 818 C CG2 . ILE A 1 101 ? 15.006 -12.962 10.517 1.00 79.46 101 A 1 ATOM 819 C CD1 . ILE A 1 101 ? 13.674 -15.681 9.541 1.00 70.64 101 A 1 ATOM 820 N N . ASN A 1 102 ? 13.640 -10.195 9.533 1.00 92.70 102 A 1 ATOM 821 C CA . ASN A 1 102 ? 12.653 -9.260 10.076 1.00 93.13 102 A 1 ATOM 822 C C . ASN A 1 102 ? 12.053 -8.371 8.982 1.00 94.64 102 A 1 ATOM 823 O O . ASN A 1 102 ? 10.844 -8.158 8.981 1.00 95.05 102 A 1 ATOM 824 C CB . ASN A 1 102 ? 13.301 -8.410 11.179 1.00 92.32 102 A 1 ATOM 825 C CG . ASN A 1 102 ? 13.629 -9.196 12.434 1.00 86.52 102 A 1 ATOM 826 O OD1 . ASN A 1 102 ? 13.087 -10.249 12.730 1.00 80.25 102 A 1 ATOM 827 N ND2 . ASN A 1 102 ? 14.539 -8.693 13.237 1.00 77.80 102 A 1 ATOM 828 N N . LEU A 1 103 ? 12.880 -7.893 8.038 1.00 95.29 103 A 1 ATOM 829 C CA . LEU A 1 103 ? 12.405 -7.133 6.883 1.00 95.93 103 A 1 ATOM 830 C C . LEU A 1 103 ? 11.553 -8.019 5.969 1.00 96.31 103 A 1 ATOM 831 O O . LEU A 1 103 ? 10.454 -7.621 5.601 1.00 96.57 103 A 1 ATOM 832 C CB . LEU A 1 103 ? 13.604 -6.515 6.142 1.00 96.18 103 A 1 ATOM 833 C CG . LEU A 1 103 ? 13.215 -5.729 4.877 1.00 95.87 103 A 1 ATOM 834 C CD1 . LEU A 1 103 ? 12.292 -4.547 5.184 1.00 94.44 103 A 1 ATOM 835 C CD2 . LEU A 1 103 ? 14.473 -5.195 4.195 1.00 94.83 103 A 1 ATOM 836 N N . ASP A 1 104 ? 11.994 -9.245 5.683 1.00 96.05 104 A 1 ATOM 837 C CA . ASP A 1 104 ? 11.229 -10.185 4.855 1.00 95.56 104 A 1 ATOM 838 C C . ASP A 1 104 ? 9.839 -10.467 5.446 1.00 96.44 104 A 1 ATOM 839 O O . ASP A 1 104 ? 8.833 -10.481 4.731 1.00 96.61 104 A 1 ATOM 840 C CB . ASP A 1 104 ? 11.985 -11.519 4.722 1.00 94.91 104 A 1 ATOM 841 C CG . ASP A 1 104 ? 13.312 -11.442 3.962 1.00 91.37 104 A 1 ATOM 842 O OD1 . ASP A 1 104 ? 13.477 -10.517 3.142 1.00 88.49 104 A 1 ATOM 843 O OD2 . ASP A 1 104 ? 14.131 -12.363 4.193 1.00 87.24 104 A 1 ATOM 844 N N . LEU A 1 105 ? 9.760 -10.679 6.767 1.00 96.12 105 A 1 ATOM 845 C CA . LEU A 1 105 ? 8.487 -10.875 7.464 1.00 96.48 105 A 1 ATOM 846 C C . LEU A 1 105 ? 7.603 -9.623 7.404 1.00 97.13 105 A 1 ATOM 847 O O . LEU A 1 105 ? 6.396 -9.749 7.187 1.00 97.47 105 A 1 ATOM 848 C CB . LEU A 1 105 ? 8.753 -11.281 8.926 1.00 96.90 105 A 1 ATOM 849 C CG . LEU A 1 105 ? 9.297 -12.713 9.108 1.00 93.68 105 A 1 ATOM 850 C CD1 . LEU A 1 105 ? 9.704 -12.914 10.571 1.00 91.63 105 A 1 ATOM 851 C CD2 . LEU A 1 105 ? 8.266 -13.783 8.748 1.00 92.70 105 A 1 ATOM 852 N N . ALA A 1 106 ? 8.196 -8.440 7.558 1.00 97.14 106 A 1 ATOM 853 C CA . ALA A 1 106 ? 7.490 -7.166 7.501 1.00 97.46 106 A 1 ATOM 854 C C . ALA A 1 106 ? 6.934 -6.875 6.095 1.00 97.67 106 A 1 ATOM 855 O O . ALA A 1 106 ? 5.756 -6.550 5.970 1.00 97.77 106 A 1 ATOM 856 C CB . ALA A 1 106 ? 8.442 -6.077 7.992 1.00 97.53 106 A 1 ATOM 857 N N . ILE A 1 107 ? 7.719 -7.111 5.036 1.00 97.56 107 A 1 ATOM 858 C CA . ILE A 1 107 ? 7.269 -6.990 3.640 1.00 97.36 107 A 1 ATOM 859 C C . ILE A 1 107 ? 6.104 -7.953 3.363 1.00 97.63 107 A 1 ATOM 860 O O . ILE A 1 107 ? 5.085 -7.568 2.795 1.00 97.66 107 A 1 ATOM 861 C CB . ILE A 1 107 ? 8.461 -7.243 2.685 1.00 97.08 107 A 1 ATOM 862 C CG1 . ILE A 1 107 ? 9.481 -6.082 2.777 1.00 96.32 107 A 1 ATOM 863 C CG2 . ILE A 1 107 ? 7.986 -7.411 1.227 1.00 96.30 107 A 1 ATOM 864 C CD1 . ILE A 1 107 ? 10.817 -6.378 2.075 1.00 94.18 107 A 1 ATOM 865 N N . ASN A 1 108 ? 6.201 -9.213 3.811 1.00 97.53 108 A 1 ATOM 866 C CA . ASN A 1 108 ? 5.083 -10.155 3.653 1.00 97.49 108 A 1 ATOM 867 C C . ASN A 1 108 ? 3.828 -9.723 4.444 1.00 97.84 108 A 1 ATOM 868 O O . ASN A 1 108 ? 2.708 -10.024 4.020 1.00 97.82 108 A 1 ATOM 869 C CB . ASN A 1 108 ? 5.522 -11.573 4.064 1.00 97.11 108 A 1 ATOM 870 C CG . ASN A 1 108 ? 6.410 -12.269 3.042 1.00 90.14 108 A 1 ATOM 871 O OD1 . ASN A 1 108 ? 6.014 -12.692 1.967 1.00 82.35 108 A 1 ATOM 872 N ND2 . ASN A 1 108 ? 7.664 -12.470 3.363 1.00 79.58 108 A 1 ATOM 873 N N . ALA A 1 109 ? 3.987 -9.042 5.574 1.00 97.92 109 A 1 ATOM 874 C CA . ALA A 1 109 ? 2.864 -8.458 6.307 1.00 98.06 109 A 1 ATOM 875 C C . ALA A 1 109 ? 2.244 -7.274 5.546 1.00 98.29 109 A 1 ATOM 876 O O . ALA A 1 109 ? 1.017 -7.181 5.483 1.00 98.33 109 A 1 ATOM 877 C CB . ALA A 1 109 ? 3.322 -8.076 7.721 1.00 98.07 109 A 1 ATOM 878 N N . ASP A 1 110 ? 3.071 -6.437 4.905 1.00 98.32 110 A 1 ATOM 879 C CA . ASP A 1 110 ? 2.602 -5.333 4.064 1.00 98.43 110 A 1 ATOM 880 C C . ASP A 1 110 ? 1.823 -5.842 2.847 1.00 98.54 110 A 1 ATOM 881 O O . ASP A 1 110 ? 0.705 -5.380 2.624 1.00 98.51 110 A 1 ATOM 882 C CB . ASP A 1 110 ? 3.770 -4.410 3.672 1.00 98.34 110 A 1 ATOM 883 C CG . ASP A 1 110 ? 4.248 -3.543 4.847 1.00 98.09 110 A 1 ATOM 884 O OD1 . ASP A 1 110 ? 3.423 -3.236 5.746 1.00 97.11 110 A 1 ATOM 885 O OD2 . ASP A 1 110 ? 5.436 -3.167 4.888 1.00 97.05 110 A 1 ATOM 886 N N . TYR A 1 111 ? 2.290 -6.891 2.152 1.00 98.51 111 A 1 ATOM 887 C CA . TYR A 1 111 ? 1.514 -7.513 1.063 1.00 98.63 111 A 1 ATOM 888 C C . TYR A 1 111 ? 0.109 -7.946 1.504 1.00 98.67 111 A 1 ATOM 889 O O . TYR A 1 111 ? -0.866 -7.754 0.774 1.00 98.62 111 A 1 ATOM 890 C CB . TYR A 1 111 ? 2.236 -8.752 0.513 1.00 98.60 111 A 1 ATOM 891 C CG . TYR A 1 111 ? 3.576 -8.537 -0.154 1.00 98.51 111 A 1 ATOM 892 C CD1 . TYR A 1 111 ? 3.859 -7.362 -0.875 1.00 97.81 111 A 1 ATOM 893 C CD2 . TYR A 1 111 ? 4.539 -9.563 -0.088 1.00 97.81 111 A 1 ATOM 894 C CE1 . TYR A 1 111 ? 5.107 -7.203 -1.503 1.00 97.41 111 A 1 ATOM 895 C CE2 . TYR A 1 111 ? 5.784 -9.413 -0.718 1.00 97.39 111 A 1 ATOM 896 C CZ . TYR A 1 111 ? 6.074 -8.230 -1.422 1.00 97.59 111 A 1 ATOM 897 O OH . TYR A 1 111 ? 7.288 -8.091 -2.012 1.00 96.50 111 A 1 ATOM 898 N N . LYS A 1 112 ? -0.024 -8.516 2.705 1.00 98.64 112 A 1 ATOM 899 C CA . LYS A 1 112 ? -1.334 -8.911 3.245 1.00 98.69 112 A 1 ATOM 900 C C . LYS A 1 112 ? -2.200 -7.705 3.568 1.00 98.71 112 A 1 ATOM 901 O O . LYS A 1 112 ? -3.400 -7.737 3.315 1.00 98.60 112 A 1 ATOM 902 C CB . LYS A 1 112 ? -1.171 -9.774 4.498 1.00 98.62 112 A 1 ATOM 903 C CG . LYS A 1 112 ? -0.555 -11.130 4.149 1.00 97.70 112 A 1 ATOM 904 C CD . LYS A 1 112 ? -0.417 -11.981 5.406 1.00 95.82 112 A 1 ATOM 905 C CE . LYS A 1 112 ? 0.359 -13.238 5.024 1.00 91.16 112 A 1 ATOM 906 N NZ . LYS A 1 112 ? -0.087 -14.395 5.831 1.00 81.92 112 A 1 ATOM 907 N N . LEU A 1 113 ? -1.595 -6.648 4.108 1.00 98.57 113 A 1 ATOM 908 C CA . LEU A 1 113 ? -2.301 -5.418 4.442 1.00 98.44 113 A 1 ATOM 909 C C . LEU A 1 113 ? -2.829 -4.725 3.175 1.00 98.58 113 A 1 ATOM 910 O O . LEU A 1 113 ? -3.991 -4.327 3.129 1.00 98.36 113 A 1 ATOM 911 C CB . LEU A 1 113 ? -1.339 -4.527 5.249 1.00 97.83 113 A 1 ATOM 912 C CG . LEU A 1 113 ? -2.025 -3.357 5.961 1.00 94.22 113 A 1 ATOM 913 C CD1 . LEU A 1 113 ? -2.912 -3.833 7.112 1.00 93.22 113 A 1 ATOM 914 C CD2 . LEU A 1 113 ? -0.961 -2.431 6.548 1.00 93.34 113 A 1 ATOM 915 N N . TRP A 1 114 ? -2.003 -4.656 2.122 1.00 98.59 114 A 1 ATOM 916 C CA . TRP A 1 114 ? -2.411 -4.129 0.819 1.00 98.65 114 A 1 ATOM 917 C C . TRP A 1 114 ? -3.509 -4.983 0.191 1.00 98.67 114 A 1 ATOM 918 O O . TRP A 1 114 ? -4.546 -4.448 -0.203 1.00 98.63 114 A 1 ATOM 919 C CB . TRP A 1 114 ? -1.203 -4.051 -0.120 1.00 98.59 114 A 1 ATOM 920 C CG . TRP A 1 114 ? -0.003 -3.300 0.362 1.00 98.52 114 A 1 ATOM 921 C CD1 . TRP A 1 114 ? 0.046 -2.390 1.362 1.00 97.99 114 A 1 ATOM 922 C CD2 . TRP A 1 114 ? 1.364 -3.431 -0.120 1.00 98.33 114 A 1 ATOM 923 N NE1 . TRP A 1 114 ? 1.340 -1.963 1.546 1.00 97.62 114 A 1 ATOM 924 C CE2 . TRP A 1 114 ? 2.198 -2.574 0.656 1.00 97.99 114 A 1 ATOM 925 C CE3 . TRP A 1 114 ? 1.985 -4.190 -1.138 1.00 97.59 114 A 1 ATOM 926 C CZ2 . TRP A 1 114 ? 3.580 -2.484 0.444 1.00 97.20 114 A 1 ATOM 927 C CZ3 . TRP A 1 114 ? 3.366 -4.100 -1.363 1.00 97.08 114 A 1 ATOM 928 C CH2 . TRP A 1 114 ? 4.167 -3.256 -0.575 1.00 96.65 114 A 1 ATOM 929 N N . ALA A 1 115 ? -3.331 -6.300 0.160 1.00 98.69 115 A 1 ATOM 930 C CA . ALA A 1 115 ? -4.331 -7.217 -0.370 1.00 98.72 115 A 1 ATOM 931 C C . ALA A 1 115 ? -5.673 -7.082 0.364 1.00 98.72 115 A 1 ATOM 932 O O . ALA A 1 115 ? -6.708 -6.950 -0.284 1.00 98.67 115 A 1 ATOM 933 C CB . ALA A 1 115 ? -3.787 -8.647 -0.281 1.00 98.70 115 A 1 ATOM 934 N N . GLU A 1 116 ? -5.664 -7.055 1.695 1.00 98.65 116 A 1 ATOM 935 C CA . GLU A 1 116 ? -6.887 -6.885 2.490 1.00 98.64 116 A 1 ATOM 936 C C . GLU A 1 116 ? -7.612 -5.582 2.141 1.00 98.62 116 A 1 ATOM 937 O O . GLU A 1 116 ? -8.823 -5.592 1.915 1.00 98.39 116 A 1 ATOM 938 C CB . GLU A 1 116 ? -6.562 -6.945 3.996 1.00 98.54 116 A 1 ATOM 939 C CG . GLU A 1 116 ? -7.846 -6.935 4.844 1.00 98.03 116 A 1 ATOM 940 C CD . GLU A 1 116 ? -7.624 -6.974 6.363 1.00 97.71 116 A 1 ATOM 941 O OE1 . GLU A 1 116 ? -8.635 -6.988 7.107 1.00 95.34 116 A 1 ATOM 942 O OE2 . GLU A 1 116 ? -6.484 -6.906 6.874 1.00 95.67 116 A 1 ATOM 943 N N . PHE A 1 117 ? -6.876 -4.472 2.051 1.00 98.62 117 A 1 ATOM 944 C CA . PHE A 1 117 ? -7.446 -3.185 1.667 1.00 98.57 117 A 1 ATOM 945 C C . PHE A 1 117 ? -8.037 -3.216 0.256 1.00 98.53 117 A 1 ATOM 946 O O . PHE A 1 117 ? -9.189 -2.829 0.061 1.00 98.35 117 A 1 ATOM 947 C CB . PHE A 1 117 ? -6.375 -2.100 1.783 1.00 98.48 117 A 1 ATOM 948 C CG . PHE A 1 117 ? -6.831 -0.758 1.249 1.00 98.45 117 A 1 ATOM 949 C CD1 . PHE A 1 117 ? -6.408 -0.326 -0.023 1.00 98.16 117 A 1 ATOM 950 C CD2 . PHE A 1 117 ? -7.701 0.045 2.004 1.00 98.19 117 A 1 ATOM 951 C CE1 . PHE A 1 117 ? -6.836 0.916 -0.521 1.00 97.81 117 A 1 ATOM 952 C CE2 . PHE A 1 117 ? -8.127 1.287 1.508 1.00 97.79 117 A 1 ATOM 953 C CZ . PHE A 1 117 ? -7.689 1.724 0.246 1.00 97.75 117 A 1 ATOM 954 N N . LEU A 1 118 ? -7.268 -3.713 -0.720 1.00 98.63 118 A 1 ATOM 955 C CA . LEU A 1 118 ? -7.651 -3.705 -2.134 1.00 98.56 118 A 1 ATOM 956 C C . LEU A 1 118 ? -8.879 -4.577 -2.411 1.00 98.40 118 A 1 ATOM 957 O O . LEU A 1 118 ? -9.697 -4.216 -3.249 1.00 98.09 118 A 1 ATOM 958 C CB . LEU A 1 118 ? -6.449 -4.145 -2.981 1.00 98.55 118 A 1 ATOM 959 C CG . LEU A 1 118 ? -5.292 -3.126 -3.017 1.00 98.36 118 A 1 ATOM 960 C CD1 . LEU A 1 118 ? -4.084 -3.753 -3.709 1.00 98.06 118 A 1 ATOM 961 C CD2 . LEU A 1 118 ? -5.664 -1.841 -3.756 1.00 98.02 118 A 1 ATOM 962 N N . ILE A 1 119 ? -9.072 -5.677 -1.681 1.00 98.45 119 A 1 ATOM 963 C CA . ILE A 1 119 ? -10.261 -6.532 -1.842 1.00 98.29 119 A 1 ATOM 964 C C . ILE A 1 119 ? -11.457 -6.095 -0.977 1.00 97.93 119 A 1 ATOM 965 O O . ILE A 1 119 ? -12.531 -6.684 -1.079 1.00 97.34 119 A 1 ATOM 966 C CB . ILE A 1 119 ? -9.923 -8.031 -1.674 1.00 98.34 119 A 1 ATOM 967 C CG1 . ILE A 1 119 ? -9.692 -8.411 -0.197 1.00 98.10 119 A 1 ATOM 968 C CG2 . ILE A 1 119 ? -8.758 -8.437 -2.594 1.00 97.63 119 A 1 ATOM 969 C CD1 . ILE A 1 119 ? -9.399 -9.899 0.031 1.00 97.77 119 A 1 ATOM 970 N N . SER A 1 120 ? -11.289 -5.070 -0.127 1.00 97.69 120 A 1 ATOM 971 C CA . SER A 1 120 ? -12.334 -4.636 0.814 1.00 96.60 120 A 1 ATOM 972 C C . SER A 1 120 ? -13.466 -3.818 0.179 1.00 95.71 120 A 1 ATOM 973 O O . SER A 1 120 ? -14.515 -3.631 0.799 1.00 92.92 120 A 1 ATOM 974 C CB . SER A 1 120 ? -11.711 -3.862 1.984 1.00 95.34 120 A 1 ATOM 975 O OG . SER A 1 120 ? -11.266 -2.577 1.594 1.00 88.23 120 A 1 ATOM 976 N N . SER A 1 121 ? -13.279 -3.328 -1.057 1.00 94.05 121 A 1 ATOM 977 C CA . SER A 1 121 ? -14.310 -2.584 -1.788 1.00 93.13 121 A 1 ATOM 978 C C . SER A 1 121 ? -14.191 -2.791 -3.296 1.00 94.37 121 A 1 ATOM 979 O O . SER A 1 121 ? -13.085 -2.837 -3.825 1.00 94.14 121 A 1 ATOM 980 C CB . SER A 1 121 ? -14.234 -1.090 -1.455 1.00 90.44 121 A 1 ATOM 981 O OG . SER A 1 121 ? -13.106 -0.471 -2.042 1.00 86.60 121 A 1 ATOM 982 N N . ASP A 1 122 ? -15.319 -2.805 -4.003 1.00 94.76 122 A 1 ATOM 983 C CA . ASP A 1 122 ? -15.358 -2.954 -5.464 1.00 94.66 122 A 1 ATOM 984 C C . ASP A 1 122 ? -14.562 -1.840 -6.175 1.00 95.48 122 A 1 ATOM 985 O O . ASP A 1 122 ? -13.898 -2.093 -7.177 1.00 94.33 122 A 1 ATOM 986 C CB . ASP A 1 122 ? -16.828 -3.005 -5.936 1.00 92.94 122 A 1 ATOM 987 C CG . ASP A 1 122 ? -17.639 -4.192 -5.368 1.00 89.48 122 A 1 ATOM 988 O OD1 . ASP A 1 122 ? -17.043 -5.240 -5.020 1.00 85.46 122 A 1 ATOM 989 O OD2 . ASP A 1 122 ? -18.876 -4.054 -5.225 1.00 85.17 122 A 1 ATOM 990 N N . ARG A 1 123 ? -14.514 -0.617 -5.602 1.00 96.80 123 A 1 ATOM 991 C CA . ARG A 1 123 ? -13.730 0.521 -6.128 1.00 96.53 123 A 1 ATOM 992 C C . ARG A 1 123 ? -12.248 0.204 -6.310 1.00 97.02 123 A 1 ATOM 993 O O . ARG A 1 123 ? -11.642 0.735 -7.236 1.00 96.29 123 A 1 ATOM 994 C CB . ARG A 1 123 ? -13.910 1.743 -5.203 1.00 95.26 123 A 1 ATOM 995 C CG . ARG A 1 123 ? -12.979 2.945 -5.494 1.00 89.79 123 A 1 ATOM 996 C CD . ARG A 1 123 ? -13.088 3.476 -6.935 1.00 84.68 123 A 1 ATOM 997 N NE . ARG A 1 123 ? -12.064 4.503 -7.237 1.00 79.10 123 A 1 ATOM 998 C CZ . ARG A 1 123 ? -10.831 4.286 -7.695 1.00 73.02 123 A 1 ATOM 999 N NH1 . ARG A 1 123 ? -10.350 3.091 -7.888 1.00 65.16 123 A 1 ATOM 1000 N NH2 . ARG A 1 123 ? -10.034 5.284 -7.978 1.00 65.56 123 A 1 ATOM 1001 N N . TYR A 1 124 ? -11.665 -0.579 -5.413 1.00 97.34 124 A 1 ATOM 1002 C CA . TYR A 1 124 ? -10.253 -0.958 -5.479 1.00 97.48 124 A 1 ATOM 1003 C C . TYR A 1 124 ? -10.068 -2.366 -6.039 1.00 97.68 124 A 1 ATOM 1004 O O . TYR A 1 124 ? -9.110 -2.607 -6.764 1.00 97.33 124 A 1 ATOM 1005 C CB . TYR A 1 124 ? -9.609 -0.806 -4.095 1.00 97.26 124 A 1 ATOM 1006 C CG . TYR A 1 124 ? -9.501 0.636 -3.629 1.00 97.27 124 A 1 ATOM 1007 C CD1 . TYR A 1 124 ? -8.705 1.546 -4.351 1.00 96.14 124 A 1 ATOM 1008 C CD2 . TYR A 1 124 ? -10.193 1.078 -2.483 1.00 96.35 124 A 1 ATOM 1009 C CE1 . TYR A 1 124 ? -8.606 2.890 -3.941 1.00 95.61 124 A 1 ATOM 1010 C CE2 . TYR A 1 124 ? -10.096 2.422 -2.069 1.00 95.65 124 A 1 ATOM 1011 C CZ . TYR A 1 124 ? -9.304 3.331 -2.803 1.00 95.85 124 A 1 ATOM 1012 O OH . TYR A 1 124 ? -9.213 4.634 -2.420 1.00 94.63 124 A 1 ATOM 1013 N N . TYR A 1 125 ? -10.996 -3.272 -5.762 1.00 97.51 125 A 1 ATOM 1014 C CA . TYR A 1 125 ? -10.900 -4.665 -6.179 1.00 97.71 125 A 1 ATOM 1015 C C . TYR A 1 125 ? -10.905 -4.837 -7.703 1.00 97.78 125 A 1 ATOM 1016 O O . TYR A 1 125 ? -10.073 -5.567 -8.228 1.00 97.79 125 A 1 ATOM 1017 C CB . TYR A 1 125 ? -12.040 -5.462 -5.536 1.00 97.70 125 A 1 ATOM 1018 C CG . TYR A 1 125 ? -12.065 -6.916 -5.962 1.00 97.71 125 A 1 ATOM 1019 C CD1 . TYR A 1 125 ? -13.186 -7.441 -6.636 1.00 96.62 125 A 1 ATOM 1020 C CD2 . TYR A 1 125 ? -10.941 -7.732 -5.730 1.00 96.83 125 A 1 ATOM 1021 C CE1 . TYR A 1 125 ? -13.186 -8.780 -7.068 1.00 95.92 125 A 1 ATOM 1022 C CE2 . TYR A 1 125 ? -10.933 -9.069 -6.165 1.00 96.18 125 A 1 ATOM 1023 C CZ . TYR A 1 125 ? -12.057 -9.594 -6.832 1.00 96.14 125 A 1 ATOM 1024 O OH . TYR A 1 125 ? -12.048 -10.888 -7.254 1.00 95.10 125 A 1 ATOM 1025 N N . GLU A 1 126 ? -11.802 -4.164 -8.424 1.00 97.29 126 A 1 ATOM 1026 C CA . GLU A 1 126 ? -11.915 -4.318 -9.879 1.00 96.91 126 A 1 ATOM 1027 C C . GLU A 1 126 ? -10.629 -3.909 -10.632 1.00 97.27 126 A 1 ATOM 1028 O O . GLU A 1 126 ? -10.111 -4.726 -11.398 1.00 97.09 126 A 1 ATOM 1029 C CB . GLU A 1 126 ? -13.127 -3.542 -10.414 1.00 96.03 126 A 1 ATOM 1030 C CG . GLU A 1 126 ? -14.477 -4.149 -10.008 1.00 86.48 126 A 1 ATOM 1031 C CD . GLU A 1 126 ? -15.679 -3.337 -10.528 1.00 78.38 126 A 1 ATOM 1032 O OE1 . GLU A 1 126 ? -16.821 -3.780 -10.281 1.00 71.38 126 A 1 ATOM 1033 O OE2 . GLU A 1 126 ? -15.464 -2.290 -11.193 1.00 70.92 126 A 1 ATOM 1034 N N . PRO A 1 127 ? -10.059 -2.694 -10.426 1.00 97.28 127 A 1 ATOM 1035 C CA . PRO A 1 127 ? -8.810 -2.320 -11.088 1.00 97.19 127 A 1 ATOM 1036 C C . PRO A 1 127 ? -7.626 -3.173 -10.626 1.00 97.71 127 A 1 ATOM 1037 O O . PRO A 1 127 ? -6.796 -3.549 -11.451 1.00 97.58 127 A 1 ATOM 1038 C CB . PRO A 1 127 ? -8.610 -0.828 -10.786 1.00 96.40 127 A 1 ATOM 1039 C CG . PRO A 1 127 ? -9.395 -0.602 -9.502 1.00 94.61 127 A 1 ATOM 1040 C CD . PRO A 1 127 ? -10.562 -1.573 -9.637 1.00 96.65 127 A 1 ATOM 1041 N N . PHE A 1 128 ? -7.577 -3.560 -9.357 1.00 97.36 128 A 1 ATOM 1042 C CA . PHE A 1 128 ? -6.540 -4.439 -8.811 1.00 97.68 128 A 1 ATOM 1043 C C . PHE A 1 128 ? -6.549 -5.829 -9.454 1.00 97.93 128 A 1 ATOM 1044 O O . PHE A 1 128 ? -5.512 -6.322 -9.897 1.00 98.03 128 A 1 ATOM 1045 C CB . PHE A 1 128 ? -6.747 -4.539 -7.296 1.00 97.70 128 A 1 ATOM 1046 C CG . PHE A 1 128 ? -5.896 -5.577 -6.596 1.00 97.74 128 A 1 ATOM 1047 C CD1 . PHE A 1 128 ? -6.490 -6.477 -5.688 1.00 96.46 128 A 1 ATOM 1048 C CD2 . PHE A 1 128 ? -4.509 -5.622 -6.816 1.00 97.00 128 A 1 ATOM 1049 C CE1 . PHE A 1 128 ? -5.695 -7.396 -4.986 1.00 95.98 128 A 1 ATOM 1050 C CE2 . PHE A 1 128 ? -3.718 -6.548 -6.120 1.00 96.17 128 A 1 ATOM 1051 C CZ . PHE A 1 128 ? -4.310 -7.428 -5.197 1.00 96.43 128 A 1 ATOM 1052 N N . LEU A 1 129 ? -7.727 -6.456 -9.553 1.00 97.89 129 A 1 ATOM 1053 C CA . LEU A 1 129 ? -7.874 -7.756 -10.200 1.00 97.92 129 A 1 ATOM 1054 C C . LEU A 1 129 ? -7.448 -7.682 -11.667 1.00 97.99 129 A 1 ATOM 1055 O O . LEU A 1 129 ? -6.631 -8.488 -12.107 1.00 98.04 129 A 1 ATOM 1056 C CB . LEU A 1 129 ? -9.326 -8.240 -10.047 1.00 97.81 129 A 1 ATOM 1057 C CG . LEU A 1 129 ? -9.600 -9.594 -10.726 1.00 96.69 129 A 1 ATOM 1058 C CD1 . LEU A 1 129 ? -8.764 -10.727 -10.114 1.00 95.50 129 A 1 ATOM 1059 C CD2 . LEU A 1 129 ? -11.075 -9.958 -10.579 1.00 95.59 129 A 1 ATOM 1060 N N . LYS A 1 130 ? -7.935 -6.678 -12.402 1.00 97.85 130 A 1 ATOM 1061 C CA . LYS A 1 130 ? -7.592 -6.472 -13.813 1.00 97.64 130 A 1 ATOM 1062 C C . LYS A 1 130 ? -6.090 -6.271 -14.020 1.00 97.92 130 A 1 ATOM 1063 O O . LYS A 1 130 ? -5.535 -6.807 -14.976 1.00 97.87 130 A 1 ATOM 1064 C CB . LYS A 1 130 ? -8.396 -5.275 -14.334 1.00 97.15 130 A 1 ATOM 1065 C CG . LYS A 1 130 ? -8.168 -5.055 -15.834 1.00 86.73 130 A 1 ATOM 1066 C CD . LYS A 1 130 ? -8.969 -3.848 -16.320 1.00 84.58 130 A 1 ATOM 1067 C CE . LYS A 1 130 ? -8.661 -3.624 -17.798 1.00 75.32 130 A 1 ATOM 1068 N NZ . LYS A 1 130 ? -9.312 -2.394 -18.295 1.00 68.05 130 A 1 ATOM 1069 N N . TYR A 1 131 ? -5.439 -5.507 -13.141 1.00 97.79 131 A 1 ATOM 1070 C CA . TYR A 1 131 ? -3.995 -5.289 -13.190 1.00 97.82 131 A 1 ATOM 1071 C C . TYR A 1 131 ? -3.218 -6.602 -13.033 1.00 98.04 131 A 1 ATOM 1072 O O . TYR A 1 131 ? -2.383 -6.934 -13.870 1.00 98.08 131 A 1 ATOM 1073 C CB . TYR A 1 131 ? -3.609 -4.271 -12.110 1.00 97.81 131 A 1 ATOM 1074 C CG . TYR A 1 131 ? -2.129 -3.958 -12.096 1.00 97.71 131 A 1 ATOM 1075 C CD1 . TYR A 1 131 ? -1.250 -4.703 -11.284 1.00 97.04 131 A 1 ATOM 1076 C CD2 . TYR A 1 131 ? -1.629 -2.938 -12.925 1.00 97.21 131 A 1 ATOM 1077 C CE1 . TYR A 1 131 ? 0.128 -4.428 -11.303 1.00 96.49 131 A 1 ATOM 1078 C CE2 . TYR A 1 131 ? -0.255 -2.659 -12.946 1.00 96.63 131 A 1 ATOM 1079 C CZ . TYR A 1 131 ? 0.624 -3.406 -12.137 1.00 96.51 131 A 1 ATOM 1080 O OH . TYR A 1 131 ? 1.950 -3.140 -12.168 1.00 95.37 131 A 1 ATOM 1081 N N . LEU A 1 132 ? -3.548 -7.388 -12.006 1.00 98.02 132 A 1 ATOM 1082 C CA . LEU A 1 132 ? -2.895 -8.675 -11.764 1.00 98.05 132 A 1 ATOM 1083 C C . LEU A 1 132 ? -3.132 -9.674 -12.904 1.00 98.09 132 A 1 ATOM 1084 O O . LEU A 1 132 ? -2.194 -10.346 -13.322 1.00 98.14 132 A 1 ATOM 1085 C CB . LEU A 1 132 ? -3.396 -9.266 -10.441 1.00 98.13 132 A 1 ATOM 1086 C CG . LEU A 1 132 ? -2.911 -8.548 -9.170 1.00 97.77 132 A 1 ATOM 1087 C CD1 . LEU A 1 132 ? -3.547 -9.250 -7.967 1.00 97.35 132 A 1 ATOM 1088 C CD2 . LEU A 1 132 ? -1.392 -8.607 -9.007 1.00 97.32 132 A 1 ATOM 1089 N N . GLU A 1 133 ? -4.356 -9.770 -13.425 1.00 98.06 133 A 1 ATOM 1090 C CA . GLU A 1 133 ? -4.690 -10.669 -14.535 1.00 97.91 133 A 1 ATOM 1091 C C . GLU A 1 133 ? -3.961 -10.282 -15.827 1.00 97.92 133 A 1 ATOM 1092 O O . GLU A 1 133 ? -3.469 -11.158 -16.537 1.00 97.58 133 A 1 ATOM 1093 C CB . GLU A 1 133 ? -6.204 -10.668 -14.778 1.00 97.75 133 A 1 ATOM 1094 C CG . GLU A 1 133 ? -6.957 -11.435 -13.682 1.00 96.54 133 A 1 ATOM 1095 C CD . GLU A 1 133 ? -8.485 -11.419 -13.857 1.00 95.30 133 A 1 ATOM 1096 O OE1 . GLU A 1 133 ? -9.136 -12.248 -13.176 1.00 90.55 133 A 1 ATOM 1097 O OE2 . GLU A 1 133 ? -9.004 -10.588 -14.636 1.00 91.33 133 A 1 ATOM 1098 N N . ASN A 1 134 ? -3.842 -8.981 -16.114 1.00 97.74 134 A 1 ATOM 1099 C CA . ASN A 1 134 ? -3.073 -8.498 -17.258 1.00 97.48 134 A 1 ATOM 1100 C C . ASN A 1 134 ? -1.591 -8.884 -17.136 1.00 97.58 134 A 1 ATOM 1101 O O . ASN A 1 134 ? -1.035 -9.470 -18.062 1.00 97.38 134 A 1 ATOM 1102 C CB . ASN A 1 134 ? -3.267 -6.980 -17.385 1.00 97.19 134 A 1 ATOM 1103 C CG . ASN A 1 134 ? -2.433 -6.417 -18.521 1.00 95.27 134 A 1 ATOM 1104 O OD1 . ASN A 1 134 ? -2.713 -6.652 -19.684 1.00 89.81 134 A 1 ATOM 1105 N ND2 . ASN A 1 134 ? -1.377 -5.704 -18.216 1.00 89.01 134 A 1 ATOM 1106 N N . PHE A 1 135 ? -0.977 -8.630 -15.987 1.00 97.05 135 A 1 ATOM 1107 C CA . PHE A 1 135 ? 0.406 -9.021 -15.722 1.00 96.54 135 A 1 ATOM 1108 C C . PHE A 1 135 ? 0.620 -10.538 -15.845 1.00 96.86 135 A 1 ATOM 1109 O O . PHE A 1 135 ? 1.542 -10.995 -16.518 1.00 97.11 135 A 1 ATOM 1110 C CB . PHE A 1 135 ? 0.801 -8.532 -14.326 1.00 96.61 135 A 1 ATOM 1111 C CG . PHE A 1 135 ? 2.149 -9.066 -13.884 1.00 96.96 135 A 1 ATOM 1112 C CD1 . PHE A 1 135 ? 2.225 -10.102 -12.930 1.00 96.25 135 A 1 ATOM 1113 C CD2 . PHE A 1 135 ? 3.323 -8.578 -14.481 1.00 96.63 135 A 1 ATOM 1114 C CE1 . PHE A 1 135 ? 3.476 -10.635 -12.569 1.00 95.70 135 A 1 ATOM 1115 C CE2 . PHE A 1 135 ? 4.572 -9.112 -14.121 1.00 95.86 135 A 1 ATOM 1116 C CZ . PHE A 1 135 ? 4.649 -10.139 -13.166 1.00 95.43 135 A 1 ATOM 1117 N N . GLU A 1 136 ? -0.252 -11.336 -15.236 1.00 97.41 136 A 1 ATOM 1118 C CA . GLU A 1 136 ? -0.180 -12.804 -15.269 1.00 97.09 136 A 1 ATOM 1119 C C . GLU A 1 136 ? -0.368 -13.378 -16.683 1.00 97.14 136 A 1 ATOM 1120 O O . GLU A 1 136 ? 0.173 -14.444 -16.987 1.00 96.58 136 A 1 ATOM 1121 C CB . GLU A 1 136 ? -1.229 -13.376 -14.307 1.00 97.14 136 A 1 ATOM 1122 C CG . GLU A 1 136 ? -0.832 -13.182 -12.831 1.00 96.83 136 A 1 ATOM 1123 C CD . GLU A 1 136 ? -1.985 -13.416 -11.838 1.00 96.91 136 A 1 ATOM 1124 O OE1 . GLU A 1 136 ? -1.785 -13.190 -10.618 1.00 94.21 136 A 1 ATOM 1125 O OE2 . GLU A 1 136 ? -3.105 -13.801 -12.238 1.00 94.82 136 A 1 ATOM 1126 N N . ALA A 1 137 ? -1.084 -12.663 -17.558 1.00 97.46 137 A 1 ATOM 1127 C CA . ALA A 1 137 ? -1.228 -12.989 -18.975 1.00 97.22 137 A 1 ATOM 1128 C C . ALA A 1 137 ? -0.028 -12.543 -19.840 1.00 97.13 137 A 1 ATOM 1129 O O . ALA A 1 137 ? -0.015 -12.808 -21.043 1.00 95.90 137 A 1 ATOM 1130 C CB . ALA A 1 137 ? -2.554 -12.401 -19.471 1.00 97.00 137 A 1 ATOM 1131 N N . GLY A 1 138 ? 0.985 -11.893 -19.252 1.00 96.40 138 A 1 ATOM 1132 C CA . GLY A 1 138 ? 2.161 -11.373 -19.955 1.00 95.79 138 A 1 ATOM 1133 C C . GLY A 1 138 ? 1.947 -10.008 -20.613 1.00 95.61 138 A 1 ATOM 1134 O O . GLY A 1 138 ? 2.686 -9.669 -21.539 1.00 93.04 138 A 1 ATOM 1135 N N . GLY A 1 139 ? 0.930 -9.260 -20.191 1.00 94.97 139 A 1 ATOM 1136 C CA . GLY A 1 139 ? 0.703 -7.879 -20.621 1.00 93.35 139 A 1 ATOM 1137 C C . GLY A 1 139 ? 1.709 -6.893 -20.021 1.00 91.62 139 A 1 ATOM 1138 O O . GLY A 1 139 ? 2.390 -7.199 -19.045 1.00 88.47 139 A 1 ATOM 1139 N N . GLU A 1 140 ? 1.794 -5.705 -20.621 1.00 90.54 140 A 1 ATOM 1140 C CA . GLU A 1 140 ? 2.574 -4.582 -20.081 1.00 87.65 140 A 1 ATOM 1141 C C . GLU A 1 140 ? 1.942 -4.051 -18.782 1.00 84.92 140 A 1 ATOM 1142 O O . GLU A 1 140 ? 0.721 -4.097 -18.617 1.00 78.38 140 A 1 ATOM 1143 C CB . GLU A 1 140 ? 2.700 -3.458 -21.127 1.00 84.48 140 A 1 ATOM 1144 C CG . GLU A 1 140 ? 3.508 -3.888 -22.365 1.00 75.50 140 A 1 ATOM 1145 C CD . GLU A 1 140 ? 3.651 -2.791 -23.442 1.00 70.14 140 A 1 ATOM 1146 O OE1 . GLU A 1 140 ? 4.392 -3.039 -24.423 1.00 65.25 140 A 1 ATOM 1147 O OE2 . GLU A 1 140 ? 2.993 -1.731 -23.327 1.00 65.76 140 A 1 ATOM 1148 N N . TYR A 1 141 ? 2.781 -3.564 -17.872 1.00 87.19 141 A 1 ATOM 1149 C CA . TYR A 1 141 ? 2.397 -3.039 -16.559 1.00 84.44 141 A 1 ATOM 1150 C C . TYR A 1 141 ? 2.944 -1.627 -16.347 1.00 79.24 141 A 1 ATOM 1151 O O . TYR A 1 141 ? 3.958 -1.270 -16.976 1.00 72.94 141 A 1 ATOM 1152 C CB . TYR A 1 141 ? 2.828 -4.015 -15.462 1.00 80.71 141 A 1 ATOM 1153 C CG . TYR A 1 141 ? 4.295 -4.407 -15.481 1.00 82.93 141 A 1 ATOM 1154 C CD1 . TYR A 1 141 ? 4.691 -5.620 -16.088 1.00 79.98 141 A 1 ATOM 1155 C CD2 . TYR A 1 141 ? 5.268 -3.574 -14.889 1.00 81.09 141 A 1 ATOM 1156 C CE1 . TYR A 1 141 ? 6.048 -5.995 -16.113 1.00 77.02 141 A 1 ATOM 1157 C CE2 . TYR A 1 141 ? 6.625 -3.945 -14.919 1.00 81.03 141 A 1 ATOM 1158 C CZ . TYR A 1 141 ? 7.019 -5.155 -15.531 1.00 78.27 141 A 1 ATOM 1159 O OH . TYR A 1 141 ? 8.333 -5.508 -15.558 1.00 75.75 141 A 1 ATOM 1160 O OXT . TYR A 1 141 ? 2.349 -0.912 -15.523 1.00 74.84 141 A 1 #