# 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_ulx # _entry.id ulx # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n ALA 2 1 n THR 3 1 n LEU 4 1 n SER 5 1 n ASP 6 1 n THR 7 1 n ILE 8 1 n LYS 9 1 n PRO 10 1 n ASN 11 1 n LYS 12 1 n THR 13 1 n TYR 14 1 n LEU 15 1 n GLU 16 1 n ALA 17 1 n VAL 18 1 n LEU 19 1 n ARG 20 1 n THR 21 1 n ALA 22 1 n LEU 23 1 n LEU 24 1 n GLY 25 1 n LYS 26 1 n THR 27 1 n GLU 28 1 n ASP 29 1 n GLU 30 1 n TYR 31 1 n VAL 32 1 n ASP 33 1 n PHE 34 1 n PHE 35 1 n LEU 36 1 n SER 37 1 n GLY 38 1 n LEU 39 1 n ARG 40 1 n GLY 41 1 n ARG 42 1 n LEU 43 1 n LEU 44 1 n LYS 45 1 n ASN 46 1 n PRO 47 1 n ARG 48 1 n LEU 49 1 n TYR 50 1 n ARG 51 1 n SER 52 1 n TYR 53 1 n GLY 54 1 n PRO 55 1 n TYR 56 1 n TRP 57 1 n PRO 58 1 n GLU 59 1 n ILE 60 1 n LYS 61 1 n LYS 62 1 n LEU 63 1 n LEU 64 1 n LEU 65 1 n GLU 66 1 n ARG 67 1 n GLY 68 1 n TYR 69 1 n GLY 70 1 n ASN 71 1 n PHE 72 1 n GLY 73 1 n ARG 74 1 n LEU 75 1 n VAL 76 1 n ASP 77 1 n ARG 78 1 n ASP 79 1 n VAL 80 1 n ARG 81 1 n LYS 82 1 n PHE 83 1 n TYR 84 1 n ARG 85 1 n TYR 86 1 n ASP 87 1 n ARG 88 1 n PRO 89 1 n ALA 90 1 n LEU 91 1 n THR 92 1 n LEU 93 1 n ILE 94 1 n ALA 95 1 n ALA 96 1 n THR 97 1 n LEU 98 1 n TYR 99 1 n SER 100 1 n HIS 101 1 n GLU 102 1 n ARG 103 1 n PHE 104 1 n ASP 105 1 n ASN 106 1 n GLY 107 1 n GLN 108 1 n ILE 109 1 n TYR 110 1 n SER 111 1 n ALA 112 1 n TRP 113 1 n HIS 114 1 n LEU 115 1 n LEU 116 1 n PRO 117 1 n VAL 118 1 n PRO 119 1 n GLU 120 1 n GLU 121 1 n VAL 122 1 n ASP 123 1 n ASP 124 1 n GLN 125 1 n ASP 126 1 n TYR 127 1 n GLU 128 1 n PHE 129 1 n GLU 130 1 n SER 131 1 n TYR 132 1 n ASP 133 1 n LEU 134 1 n GLU 135 1 n VAL 136 1 n GLU 137 1 n ALA 138 1 n LEU 139 1 n ALA 140 1 n GLN 141 1 n ALA 142 1 n GLY 143 1 n GLU 144 1 n LYS 145 1 n THR 146 # _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 01:38:15)" _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 94.23 _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 82.73 1 1 A ALA 2 2 94.84 1 2 A THR 3 2 95.48 1 3 A LEU 4 2 95.38 1 4 A SER 5 2 95.58 1 5 A ASP 6 2 96.21 1 6 A THR 7 2 97.16 1 7 A ILE 8 2 96.08 1 8 A LYS 9 2 92.38 1 9 A PRO 10 2 97.16 1 10 A ASN 11 2 91.59 1 11 A LYS 12 2 92.05 1 12 A THR 13 2 96.94 1 13 A TYR 14 2 97.34 1 14 A LEU 15 2 98.47 1 15 A GLU 16 2 94.34 1 16 A ALA 17 2 98.32 1 17 A VAL 18 2 98.33 1 18 A LEU 19 2 97.94 1 19 A ARG 20 2 83.73 1 20 A THR 21 2 95.22 1 21 A ALA 22 2 96.86 1 22 A LEU 23 2 95.64 1 23 A LEU 24 2 88.03 1 24 A GLY 25 2 94.87 1 25 A LYS 26 2 90.49 1 26 A THR 27 2 97.90 1 27 A GLU 28 2 97.23 1 28 A ASP 29 2 92.00 1 29 A GLU 30 2 96.05 1 30 A TYR 31 2 97.81 1 31 A VAL 32 2 98.35 1 32 A ASP 33 2 96.32 1 33 A PHE 34 2 94.63 1 34 A PHE 35 2 97.36 1 35 A LEU 36 2 98.23 1 36 A SER 37 2 96.25 1 37 A GLY 38 2 97.92 1 38 A LEU 39 2 97.79 1 39 A ARG 40 2 90.27 1 40 A GLY 41 2 97.42 1 41 A ARG 42 2 88.16 1 42 A LEU 43 2 97.21 1 43 A LEU 44 2 95.64 1 44 A LYS 45 2 90.58 1 45 A ASN 46 2 94.50 1 46 A PRO 47 2 97.25 1 47 A ARG 48 2 85.72 1 48 A LEU 49 2 93.93 1 49 A TYR 50 2 98.28 1 50 A ARG 51 2 96.58 1 51 A SER 52 2 98.16 1 52 A TYR 53 2 98.42 1 53 A GLY 54 2 98.52 1 54 A PRO 55 2 98.62 1 55 A TYR 56 2 98.62 1 56 A TRP 57 2 98.68 1 57 A PRO 58 2 98.62 1 58 A GLU 59 2 97.17 1 59 A ILE 60 2 98.69 1 60 A LYS 61 2 98.20 1 61 A LYS 62 2 93.04 1 62 A LEU 63 2 98.25 1 63 A LEU 64 2 98.19 1 64 A LEU 65 2 97.22 1 65 A GLU 66 2 95.72 1 66 A ARG 67 2 92.45 1 67 A GLY 68 2 95.91 1 68 A TYR 69 2 93.39 1 69 A GLY 70 2 92.54 1 70 A ASN 71 2 89.44 1 71 A PHE 72 2 96.11 1 72 A GLY 73 2 96.66 1 73 A ARG 74 2 82.45 1 74 A LEU 75 2 93.29 1 75 A VAL 76 2 97.55 1 76 A ASP 77 2 96.58 1 77 A ARG 78 2 83.16 1 78 A ASP 79 2 94.75 1 79 A VAL 80 2 97.78 1 80 A ARG 81 2 93.04 1 81 A LYS 82 2 88.30 1 82 A PHE 83 2 93.37 1 83 A TYR 84 2 97.30 1 84 A ARG 85 2 90.65 1 85 A TYR 86 2 97.88 1 86 A ASP 87 2 94.82 1 87 A ARG 88 2 95.00 1 88 A PRO 89 2 98.33 1 89 A ALA 90 2 98.72 1 90 A LEU 91 2 98.13 1 91 A THR 92 2 98.59 1 92 A LEU 93 2 98.56 1 93 A ILE 94 2 97.91 1 94 A ALA 95 2 98.73 1 95 A ALA 96 2 98.78 1 96 A THR 97 2 98.00 1 97 A LEU 98 2 98.24 1 98 A TYR 99 2 98.29 1 99 A SER 100 2 97.41 1 100 A HIS 101 2 89.11 1 101 A GLU 102 2 89.35 1 102 A ARG 103 2 94.43 1 103 A PHE 104 2 93.96 1 104 A ASP 105 2 97.20 1 105 A ASN 106 2 93.65 1 106 A GLY 107 2 97.90 1 107 A GLN 108 2 93.28 1 108 A ILE 109 2 89.83 1 109 A TYR 110 2 95.04 1 110 A SER 111 2 97.35 1 111 A ALA 112 2 97.74 1 112 A TRP 113 2 90.55 1 113 A HIS 114 2 97.47 1 114 A LEU 115 2 95.67 1 115 A LEU 116 2 97.59 1 116 A PRO 117 2 96.89 1 117 A VAL 118 2 95.69 1 118 A PRO 119 2 96.93 1 119 A GLU 120 2 88.03 1 120 A GLU 121 2 89.79 1 121 A VAL 122 2 95.14 1 122 A ASP 123 2 94.51 1 123 A ASP 124 2 91.09 1 124 A GLN 125 2 88.42 1 125 A ASP 126 2 94.94 1 126 A TYR 127 2 97.34 1 127 A GLU 128 2 91.13 1 128 A PHE 129 2 97.95 1 129 A GLU 130 2 95.41 1 130 A SER 131 2 96.13 1 131 A TYR 132 2 95.00 1 132 A ASP 133 2 98.09 1 133 A LEU 134 2 93.95 1 134 A GLU 135 2 96.73 1 135 A VAL 136 2 97.85 1 136 A GLU 137 2 96.35 1 137 A ALA 138 2 96.61 1 138 A LEU 139 2 92.57 1 139 A ALA 140 2 93.42 1 140 A GLN 141 2 85.79 1 141 A ALA 142 2 88.33 1 142 A GLY 143 2 84.26 1 143 A GLU 144 2 77.40 1 144 A LYS 145 2 72.84 1 145 A THR 146 2 67.39 1 146 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n ALA . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n ASP . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n LYS . 9 A 9 A 10 1 n PRO . 10 A 10 A 11 1 n ASN . 11 A 11 A 12 1 n LYS . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n TYR . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n GLU . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ARG . 20 A 20 A 21 1 n THR . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n GLY . 25 A 25 A 26 1 n LYS . 26 A 26 A 27 1 n THR . 27 A 27 A 28 1 n GLU . 28 A 28 A 29 1 n ASP . 29 A 29 A 30 1 n GLU . 30 A 30 A 31 1 n TYR . 31 A 31 A 32 1 n VAL . 32 A 32 A 33 1 n ASP . 33 A 33 A 34 1 n PHE . 34 A 34 A 35 1 n PHE . 35 A 35 A 36 1 n LEU . 36 A 36 A 37 1 n SER . 37 A 37 A 38 1 n GLY . 38 A 38 A 39 1 n LEU . 39 A 39 A 40 1 n ARG . 40 A 40 A 41 1 n GLY . 41 A 41 A 42 1 n ARG . 42 A 42 A 43 1 n LEU . 43 A 43 A 44 1 n LEU . 44 A 44 A 45 1 n LYS . 45 A 45 A 46 1 n ASN . 46 A 46 A 47 1 n PRO . 47 A 47 A 48 1 n ARG . 48 A 48 A 49 1 n LEU . 49 A 49 A 50 1 n TYR . 50 A 50 A 51 1 n ARG . 51 A 51 A 52 1 n SER . 52 A 52 A 53 1 n TYR . 53 A 53 A 54 1 n GLY . 54 A 54 A 55 1 n PRO . 55 A 55 A 56 1 n TYR . 56 A 56 A 57 1 n TRP . 57 A 57 A 58 1 n PRO . 58 A 58 A 59 1 n GLU . 59 A 59 A 60 1 n ILE . 60 A 60 A 61 1 n LYS . 61 A 61 A 62 1 n LYS . 62 A 62 A 63 1 n LEU . 63 A 63 A 64 1 n LEU . 64 A 64 A 65 1 n LEU . 65 A 65 A 66 1 n GLU . 66 A 66 A 67 1 n ARG . 67 A 67 A 68 1 n GLY . 68 A 68 A 69 1 n TYR . 69 A 69 A 70 1 n GLY . 70 A 70 A 71 1 n ASN . 71 A 71 A 72 1 n PHE . 72 A 72 A 73 1 n GLY . 73 A 73 A 74 1 n ARG . 74 A 74 A 75 1 n LEU . 75 A 75 A 76 1 n VAL . 76 A 76 A 77 1 n ASP . 77 A 77 A 78 1 n ARG . 78 A 78 A 79 1 n ASP . 79 A 79 A 80 1 n VAL . 80 A 80 A 81 1 n ARG . 81 A 81 A 82 1 n LYS . 82 A 82 A 83 1 n PHE . 83 A 83 A 84 1 n TYR . 84 A 84 A 85 1 n ARG . 85 A 85 A 86 1 n TYR . 86 A 86 A 87 1 n ASP . 87 A 87 A 88 1 n ARG . 88 A 88 A 89 1 n PRO . 89 A 89 A 90 1 n ALA . 90 A 90 A 91 1 n LEU . 91 A 91 A 92 1 n THR . 92 A 92 A 93 1 n LEU . 93 A 93 A 94 1 n ILE . 94 A 94 A 95 1 n ALA . 95 A 95 A 96 1 n ALA . 96 A 96 A 97 1 n THR . 97 A 97 A 98 1 n LEU . 98 A 98 A 99 1 n TYR . 99 A 99 A 100 1 n SER . 100 A 100 A 101 1 n HIS . 101 A 101 A 102 1 n GLU . 102 A 102 A 103 1 n ARG . 103 A 103 A 104 1 n PHE . 104 A 104 A 105 1 n ASP . 105 A 105 A 106 1 n ASN . 106 A 106 A 107 1 n GLY . 107 A 107 A 108 1 n GLN . 108 A 108 A 109 1 n ILE . 109 A 109 A 110 1 n TYR . 110 A 110 A 111 1 n SER . 111 A 111 A 112 1 n ALA . 112 A 112 A 113 1 n TRP . 113 A 113 A 114 1 n HIS . 114 A 114 A 115 1 n LEU . 115 A 115 A 116 1 n LEU . 116 A 116 A 117 1 n PRO . 117 A 117 A 118 1 n VAL . 118 A 118 A 119 1 n PRO . 119 A 119 A 120 1 n GLU . 120 A 120 A 121 1 n GLU . 121 A 121 A 122 1 n VAL . 122 A 122 A 123 1 n ASP . 123 A 123 A 124 1 n ASP . 124 A 124 A 125 1 n GLN . 125 A 125 A 126 1 n ASP . 126 A 126 A 127 1 n TYR . 127 A 127 A 128 1 n GLU . 128 A 128 A 129 1 n PHE . 129 A 129 A 130 1 n GLU . 130 A 130 A 131 1 n SER . 131 A 131 A 132 1 n TYR . 132 A 132 A 133 1 n ASP . 133 A 133 A 134 1 n LEU . 134 A 134 A 135 1 n GLU . 135 A 135 A 136 1 n VAL . 136 A 136 A 137 1 n GLU . 137 A 137 A 138 1 n ALA . 138 A 138 A 139 1 n LEU . 139 A 139 A 140 1 n ALA . 140 A 140 A 141 1 n GLN . 141 A 141 A 142 1 n ALA . 142 A 142 A 143 1 n GLY . 143 A 143 A 144 1 n GLU . 144 A 144 A 145 1 n LYS . 145 A 145 A 146 1 n THR . 146 A 146 # _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 ? 5.343 0.657 26.097 1.00 89.30 1 A 1 ATOM 2 C CA . MET A 1 1 ? 5.010 1.651 25.058 1.00 92.99 1 A 1 ATOM 3 C C . MET A 1 1 ? 5.460 1.093 23.728 1.00 94.33 1 A 1 ATOM 4 O O . MET A 1 1 ? 6.662 0.873 23.566 1.00 91.84 1 A 1 ATOM 5 C CB . MET A 1 1 ? 5.632 3.030 25.342 1.00 86.27 1 A 1 ATOM 6 C CG . MET A 1 1 ? 5.030 4.127 24.446 1.00 74.64 1 A 1 ATOM 7 S SD . MET A 1 1 ? 5.634 5.806 24.790 1.00 70.63 1 A 1 ATOM 8 C CE . MET A 1 1 ? 7.217 5.763 23.905 1.00 61.84 1 A 1 ATOM 9 N N . ALA A 1 2 ? 4.513 0.824 22.857 1.00 93.89 2 A 1 ATOM 10 C CA . ALA A 1 2 ? 4.767 0.227 21.552 1.00 95.30 2 A 1 ATOM 11 C C . ALA A 1 2 ? 5.551 1.174 20.632 1.00 96.10 2 A 1 ATOM 12 O O . ALA A 1 2 ? 5.524 2.401 20.766 1.00 94.74 2 A 1 ATOM 13 C CB . ALA A 1 2 ? 3.425 -0.173 20.931 1.00 94.15 2 A 1 ATOM 14 N N . THR A 1 3 ? 6.239 0.598 19.654 1.00 96.47 3 A 1 ATOM 15 C CA . THR A 1 3 ? 6.919 1.286 18.550 1.00 96.48 3 A 1 ATOM 16 C C . THR A 1 3 ? 6.374 0.794 17.209 1.00 96.86 3 A 1 ATOM 17 O O . THR A 1 3 ? 5.700 -0.233 17.125 1.00 96.42 3 A 1 ATOM 18 C CB . THR A 1 3 ? 8.441 1.091 18.611 1.00 95.78 3 A 1 ATOM 19 O OG1 . THR A 1 3 ? 8.794 -0.233 18.311 1.00 93.69 3 A 1 ATOM 20 C CG2 . THR A 1 3 ? 9.061 1.474 19.955 1.00 92.63 3 A 1 ATOM 21 N N . LEU A 1 4 ? 6.692 1.497 16.125 1.00 95.83 4 A 1 ATOM 22 C CA . LEU A 1 4 ? 6.260 1.096 14.782 1.00 96.04 4 A 1 ATOM 23 C C . LEU A 1 4 ? 6.716 -0.331 14.401 1.00 96.52 4 A 1 ATOM 24 O O . LEU A 1 4 ? 6.045 -1.006 13.620 1.00 96.06 4 A 1 ATOM 25 C CB . LEU A 1 4 ? 6.787 2.137 13.777 1.00 95.71 4 A 1 ATOM 26 C CG . LEU A 1 4 ? 6.202 1.989 12.362 1.00 95.15 4 A 1 ATOM 27 C CD1 . LEU A 1 4 ? 4.720 2.347 12.317 1.00 93.70 4 A 1 ATOM 28 C CD2 . LEU A 1 4 ? 6.947 2.914 11.401 1.00 94.07 4 A 1 ATOM 29 N N . SER A 1 5 ? 7.848 -0.801 14.924 1.00 96.68 5 A 1 ATOM 30 C CA . SER A 1 5 ? 8.332 -2.163 14.678 1.00 96.49 5 A 1 ATOM 31 C C . SER A 1 5 ? 7.492 -3.249 15.343 1.00 96.92 5 A 1 ATOM 32 O O . SER A 1 5 ? 7.522 -4.384 14.872 1.00 96.28 5 A 1 ATOM 33 C CB . SER A 1 5 ? 9.785 -2.347 15.118 1.00 95.72 5 A 1 ATOM 34 O OG . SER A 1 5 ? 10.062 -1.804 16.382 1.00 91.41 5 A 1 ATOM 35 N N . ASP A 1 6 ? 6.755 -2.904 16.403 1.00 96.83 6 A 1 ATOM 36 C CA . ASP A 1 6 ? 5.968 -3.864 17.183 1.00 96.90 6 A 1 ATOM 37 C C . ASP A 1 6 ? 4.583 -4.101 16.567 1.00 97.43 6 A 1 ATOM 38 O O . ASP A 1 6 ? 3.896 -5.053 16.913 1.00 97.00 6 A 1 ATOM 39 C CB . ASP A 1 6 ? 5.861 -3.371 18.635 1.00 96.64 6 A 1 ATOM 40 C CG . ASP A 1 6 ? 7.244 -3.108 19.235 1.00 96.25 6 A 1 ATOM 41 O OD1 . ASP A 1 6 ? 8.133 -3.974 19.075 1.00 94.15 6 A 1 ATOM 42 O OD2 . ASP A 1 6 ? 7.464 -1.973 19.721 1.00 94.49 6 A 1 ATOM 43 N N . THR A 1 7 ? 4.185 -3.269 15.608 1.00 97.46 7 A 1 ATOM 44 C CA . THR A 1 7 ? 2.871 -3.350 14.968 1.00 97.53 7 A 1 ATOM 45 C C . THR A 1 7 ? 2.676 -4.652 14.188 1.00 97.40 7 A 1 ATOM 46 O O . THR A 1 7 ? 3.572 -5.146 13.485 1.00 97.14 7 A 1 ATOM 47 C CB . THR A 1 7 ? 2.598 -2.153 14.056 1.00 97.68 7 A 1 ATOM 48 O OG1 . THR A 1 7 ? 3.548 -2.108 13.016 1.00 96.49 7 A 1 ATOM 49 C CG2 . THR A 1 7 ? 2.653 -0.819 14.798 1.00 96.41 7 A 1 ATOM 50 N N . ILE A 1 8 ? 1.455 -5.188 14.263 1.00 97.59 8 A 1 ATOM 51 C CA . ILE A 1 8 ? 1.046 -6.409 13.574 1.00 97.29 8 A 1 ATOM 52 C C . ILE A 1 8 ? 0.849 -6.109 12.087 1.00 97.43 8 A 1 ATOM 53 O O . ILE A 1 8 ? 0.183 -5.153 11.692 1.00 97.12 8 A 1 ATOM 54 C CB . ILE A 1 8 ? -0.214 -7.014 14.230 1.00 96.66 8 A 1 ATOM 55 C CG1 . ILE A 1 8 ? 0.054 -7.355 15.716 1.00 94.94 8 A 1 ATOM 56 C CG2 . ILE A 1 8 ? -0.671 -8.273 13.462 1.00 94.82 8 A 1 ATOM 57 C CD1 . ILE A 1 8 ? -1.194 -7.774 16.501 1.00 92.78 8 A 1 ATOM 58 N N . LYS A 1 9 ? 1.410 -6.972 11.238 1.00 97.70 9 A 1 ATOM 59 C CA . LYS A 1 9 ? 1.294 -6.895 9.774 1.00 97.56 9 A 1 ATOM 60 C C . LYS A 1 9 ? 0.877 -8.249 9.208 1.00 97.75 9 A 1 ATOM 61 O O . LYS A 1 9 ? 1.210 -9.281 9.798 1.00 97.30 9 A 1 ATOM 62 C CB . LYS A 1 9 ? 2.633 -6.437 9.178 1.00 96.26 9 A 1 ATOM 63 C CG . LYS A 1 9 ? 2.966 -4.978 9.533 1.00 93.23 9 A 1 ATOM 64 C CD . LYS A 1 9 ? 4.387 -4.596 9.098 1.00 91.28 9 A 1 ATOM 65 C CE . LYS A 1 9 ? 5.455 -5.233 10.000 1.00 83.10 9 A 1 ATOM 66 N NZ . LYS A 1 9 ? 5.753 -4.395 11.190 1.00 77.23 9 A 1 ATOM 67 N N . PRO A 1 10 ? 0.213 -8.283 8.040 1.00 97.85 10 A 1 ATOM 68 C CA . PRO A 1 10 ? -0.098 -9.537 7.371 1.00 97.56 10 A 1 ATOM 69 C C . PRO A 1 10 ? 1.160 -10.392 7.157 1.00 97.53 10 A 1 ATOM 70 O O . PRO A 1 10 ? 2.206 -9.896 6.732 1.00 96.92 10 A 1 ATOM 71 C CB . PRO A 1 10 ? -0.761 -9.153 6.048 1.00 97.04 10 A 1 ATOM 72 C CG . PRO A 1 10 ? -1.351 -7.774 6.327 1.00 95.62 10 A 1 ATOM 73 C CD . PRO A 1 10 ? -0.341 -7.163 7.298 1.00 97.60 10 A 1 ATOM 74 N N . ASN A 1 11 ? 1.054 -11.695 7.433 1.00 96.71 11 A 1 ATOM 75 C CA . ASN A 1 11 ? 2.168 -12.609 7.200 1.00 96.69 11 A 1 ATOM 76 C C . ASN A 1 11 ? 2.368 -12.870 5.697 1.00 97.83 11 A 1 ATOM 77 O O . ASN A 1 11 ? 1.440 -12.778 4.886 1.00 97.74 11 A 1 ATOM 78 C CB . ASN A 1 11 ? 2.005 -13.884 8.051 1.00 94.04 11 A 1 ATOM 79 C CG . ASN A 1 11 ? 0.889 -14.784 7.560 1.00 90.29 11 A 1 ATOM 80 O OD1 . ASN A 1 11 ? 0.912 -15.292 6.451 1.00 79.91 11 A 1 ATOM 81 N ND2 . ASN A 1 11 ? -0.120 -15.017 8.363 1.00 79.54 11 A 1 ATOM 82 N N . LYS A 1 12 ? 3.599 -13.223 5.327 1.00 97.68 12 A 1 ATOM 83 C CA . LYS A 1 12 ? 3.987 -13.415 3.923 1.00 97.90 12 A 1 ATOM 84 C C . LYS A 1 12 ? 3.173 -14.510 3.225 1.00 98.30 12 A 1 ATOM 85 O O . LYS A 1 12 ? 2.739 -14.303 2.098 1.00 98.16 12 A 1 ATOM 86 C CB . LYS A 1 12 ? 5.501 -13.669 3.858 1.00 97.01 12 A 1 ATOM 87 C CG . LYS A 1 12 ? 6.001 -13.765 2.412 1.00 89.97 12 A 1 ATOM 88 C CD . LYS A 1 12 ? 7.532 -13.857 2.357 1.00 90.48 12 A 1 ATOM 89 C CE . LYS A 1 12 ? 7.969 -14.021 0.897 1.00 82.80 12 A 1 ATOM 90 N NZ . LYS A 1 12 ? 9.439 -14.002 0.753 1.00 76.18 12 A 1 ATOM 91 N N . THR A 1 13 ? 2.916 -15.630 3.894 1.00 98.32 13 A 1 ATOM 92 C CA . THR A 1 13 ? 2.147 -16.759 3.337 1.00 98.35 13 A 1 ATOM 93 C C . THR A 1 13 ? 0.728 -16.345 2.946 1.00 98.53 13 A 1 ATOM 94 O O . THR A 1 13 ? 0.256 -16.690 1.865 1.00 98.38 13 A 1 ATOM 95 C CB . THR A 1 13 ? 2.078 -17.911 4.352 1.00 98.01 13 A 1 ATOM 96 O OG1 . THR A 1 13 ? 3.382 -18.257 4.761 1.00 93.60 13 A 1 ATOM 97 C CG2 . THR A 1 13 ? 1.428 -19.173 3.791 1.00 93.39 13 A 1 ATOM 98 N N . TYR A 1 14 ? 0.056 -15.565 3.800 1.00 98.47 14 A 1 ATOM 99 C CA . TYR A 1 14 ? -1.258 -15.009 3.490 1.00 98.54 14 A 1 ATOM 100 C C . TYR A 1 14 ? -1.202 -14.073 2.274 1.00 98.65 14 A 1 ATOM 101 O O . TYR A 1 14 ? -1.979 -14.235 1.334 1.00 98.56 14 A 1 ATOM 102 C CB . TYR A 1 14 ? -1.809 -14.296 4.732 1.00 98.40 14 A 1 ATOM 103 C CG . TYR A 1 14 ? -3.072 -13.505 4.460 1.00 98.09 14 A 1 ATOM 104 C CD1 . TYR A 1 14 ? -3.056 -12.096 4.547 1.00 96.92 14 A 1 ATOM 105 C CD2 . TYR A 1 14 ? -4.256 -14.173 4.090 1.00 97.06 14 A 1 ATOM 106 C CE1 . TYR A 1 14 ? -4.224 -11.363 4.276 1.00 96.17 14 A 1 ATOM 107 C CE2 . TYR A 1 14 ? -5.425 -13.443 3.810 1.00 96.21 14 A 1 ATOM 108 C CZ . TYR A 1 14 ? -5.409 -12.035 3.908 1.00 96.22 14 A 1 ATOM 109 O OH . TYR A 1 14 ? -6.539 -11.323 3.642 1.00 94.84 14 A 1 ATOM 110 N N . LEU A 1 15 ? -0.238 -13.155 2.240 1.00 98.61 15 A 1 ATOM 111 C CA . LEU A 1 15 ? -0.073 -12.234 1.113 1.00 98.67 15 A 1 ATOM 112 C C . LEU A 1 15 ? 0.225 -12.962 -0.205 1.00 98.67 15 A 1 ATOM 113 O O . LEU A 1 15 ? -0.288 -12.557 -1.245 1.00 98.61 15 A 1 ATOM 114 C CB . LEU A 1 15 ? 1.041 -11.226 1.423 1.00 98.67 15 A 1 ATOM 115 C CG . LEU A 1 15 ? 0.752 -10.282 2.601 1.00 98.35 15 A 1 ATOM 116 C CD1 . LEU A 1 15 ? 1.989 -9.423 2.841 1.00 98.13 15 A 1 ATOM 117 C CD2 . LEU A 1 15 ? -0.441 -9.363 2.341 1.00 98.06 15 A 1 ATOM 118 N N . GLU A 1 16 ? 1.008 -14.039 -0.177 1.00 98.61 16 A 1 ATOM 119 C CA . GLU A 1 16 ? 1.283 -14.864 -1.359 1.00 98.47 16 A 1 ATOM 120 C C . GLU A 1 16 ? 0.021 -15.553 -1.891 1.00 98.48 16 A 1 ATOM 121 O O . GLU A 1 16 ? -0.167 -15.633 -3.107 1.00 98.12 16 A 1 ATOM 122 C CB . GLU A 1 16 ? 2.349 -15.918 -1.029 1.00 97.97 16 A 1 ATOM 123 C CG . GLU A 1 16 ? 3.747 -15.291 -0.964 1.00 93.67 16 A 1 ATOM 124 C CD . GLU A 1 16 ? 4.855 -16.284 -0.592 1.00 92.71 16 A 1 ATOM 125 O OE1 . GLU A 1 16 ? 6.036 -15.901 -0.808 1.00 84.98 16 A 1 ATOM 126 O OE2 . GLU A 1 16 ? 4.546 -17.395 -0.111 1.00 86.08 16 A 1 ATOM 127 N N . ALA A 1 17 ? -0.860 -16.019 -1.001 1.00 98.45 17 A 1 ATOM 128 C CA . ALA A 1 17 ? -2.138 -16.597 -1.403 1.00 98.39 17 A 1 ATOM 129 C C . ALA A 1 17 ? -3.040 -15.552 -2.087 1.00 98.40 17 A 1 ATOM 130 O O . ALA A 1 17 ? -3.589 -15.818 -3.159 1.00 98.12 17 A 1 ATOM 131 C CB . ALA A 1 17 ? -2.803 -17.232 -0.175 1.00 98.26 17 A 1 ATOM 132 N N . VAL A 1 18 ? -3.130 -14.348 -1.513 1.00 98.53 18 A 1 ATOM 133 C CA . VAL A 1 18 ? -3.895 -13.234 -2.108 1.00 98.51 18 A 1 ATOM 134 C C . VAL A 1 18 ? -3.281 -12.796 -3.442 1.00 98.49 18 A 1 ATOM 135 O O . VAL A 1 18 ? -3.999 -12.645 -4.432 1.00 98.20 18 A 1 ATOM 136 C CB . VAL A 1 18 ? -3.996 -12.045 -1.131 1.00 98.45 18 A 1 ATOM 137 C CG1 . VAL A 1 18 ? -4.794 -10.886 -1.748 1.00 98.07 18 A 1 ATOM 138 C CG2 . VAL A 1 18 ? -4.713 -12.439 0.165 1.00 98.09 18 A 1 ATOM 139 N N . LEU A 1 19 ? -1.959 -12.660 -3.498 1.00 98.43 19 A 1 ATOM 140 C CA . LEU A 1 19 ? -1.239 -12.274 -4.712 1.00 98.32 19 A 1 ATOM 141 C C . LEU A 1 19 ? -1.499 -13.254 -5.855 1.00 98.20 19 A 1 ATOM 142 O O . LEU A 1 19 ? -1.785 -12.819 -6.969 1.00 98.04 19 A 1 ATOM 143 C CB . LEU A 1 19 ? 0.265 -12.152 -4.403 1.00 98.25 19 A 1 ATOM 144 C CG . LEU A 1 19 ? 1.138 -11.801 -5.626 1.00 97.91 19 A 1 ATOM 145 C CD1 . LEU A 1 19 ? 0.770 -10.460 -6.256 1.00 97.28 19 A 1 ATOM 146 C CD2 . LEU A 1 19 ? 2.608 -11.746 -5.214 1.00 97.13 19 A 1 ATOM 147 N N . ARG A 1 20 ? -1.476 -14.562 -5.591 1.00 97.98 20 A 1 ATOM 148 C CA . ARG A 1 20 ? -1.752 -15.590 -6.608 1.00 97.54 20 A 1 ATOM 149 C C . ARG A 1 20 ? -3.099 -15.369 -7.302 1.00 97.43 20 A 1 ATOM 150 O O . ARG A 1 20 ? -3.188 -15.515 -8.513 1.00 96.49 20 A 1 ATOM 151 C CB . ARG A 1 20 ? -1.681 -16.972 -5.946 1.00 96.70 20 A 1 ATOM 152 C CG . ARG A 1 20 ? -1.753 -18.114 -6.976 1.00 86.55 20 A 1 ATOM 153 C CD . ARG A 1 20 ? -1.745 -19.487 -6.297 1.00 85.28 20 A 1 ATOM 154 N NE . ARG A 1 20 ? -0.526 -19.691 -5.487 1.00 75.94 20 A 1 ATOM 155 C CZ . ARG A 1 20 ? -0.301 -20.678 -4.639 1.00 68.23 20 A 1 ATOM 156 N NH1 . ARG A 1 20 ? -1.156 -21.646 -4.465 1.00 60.17 20 A 1 ATOM 157 N NH2 . ARG A 1 20 ? 0.803 -20.702 -3.937 1.00 58.75 20 A 1 ATOM 158 N N . THR A 1 21 ? -4.116 -14.990 -6.535 1.00 97.35 21 A 1 ATOM 159 C CA . THR A 1 21 ? -5.442 -14.661 -7.077 1.00 97.02 21 A 1 ATOM 160 C C . THR A 1 21 ? -5.431 -13.320 -7.819 1.00 97.16 21 A 1 ATOM 161 O O . THR A 1 21 ? -6.048 -13.196 -8.873 1.00 96.06 21 A 1 ATOM 162 C CB . THR A 1 21 ? -6.481 -14.645 -5.949 1.00 96.25 21 A 1 ATOM 163 O OG1 . THR A 1 21 ? -6.442 -15.877 -5.258 1.00 91.91 21 A 1 ATOM 164 C CG2 . THR A 1 21 ? -7.909 -14.477 -6.464 1.00 90.76 21 A 1 ATOM 165 N N . ALA A 1 22 ? -4.695 -12.329 -7.313 1.00 97.34 22 A 1 ATOM 166 C CA . ALA A 1 22 ? -4.641 -10.984 -7.891 1.00 96.93 22 A 1 ATOM 167 C C . ALA A 1 22 ? -3.886 -10.904 -9.233 1.00 97.05 22 A 1 ATOM 168 O O . ALA A 1 22 ? -4.183 -10.029 -10.050 1.00 96.25 22 A 1 ATOM 169 C CB . ALA A 1 22 ? -4.014 -10.049 -6.847 1.00 96.75 22 A 1 ATOM 170 N N . LEU A 1 23 ? -2.928 -11.806 -9.470 1.00 96.90 23 A 1 ATOM 171 C CA . LEU A 1 23 ? -2.123 -11.798 -10.700 1.00 96.29 23 A 1 ATOM 172 C C . LEU A 1 23 ? -2.963 -12.044 -11.962 1.00 94.69 23 A 1 ATOM 173 O O . LEU A 1 23 ? -2.675 -11.445 -13.001 1.00 91.94 23 A 1 ATOM 174 C CB . LEU A 1 23 ? -0.977 -12.825 -10.586 1.00 96.59 23 A 1 ATOM 175 C CG . LEU A 1 23 ? 0.167 -12.423 -9.631 1.00 96.67 23 A 1 ATOM 176 C CD1 . LEU A 1 23 ? 1.189 -13.555 -9.525 1.00 95.84 23 A 1 ATOM 177 C CD2 . LEU A 1 23 ? 0.895 -11.156 -10.068 1.00 96.17 23 A 1 ATOM 178 N N . LEU A 1 24 ? -4.007 -12.882 -11.899 1.00 93.92 24 A 1 ATOM 179 C CA . LEU A 1 24 ? -4.886 -13.188 -13.044 1.00 92.45 24 A 1 ATOM 180 C C . LEU A 1 24 ? -4.110 -13.488 -14.348 1.00 93.18 24 A 1 ATOM 181 O O . LEU A 1 24 ? -4.438 -12.968 -15.420 1.00 90.09 24 A 1 ATOM 182 C CB . LEU A 1 24 ? -5.933 -12.066 -13.223 1.00 89.92 24 A 1 ATOM 183 C CG . LEU A 1 24 ? -6.870 -11.821 -12.026 1.00 85.42 24 A 1 ATOM 184 C CD1 . LEU A 1 24 ? -7.773 -10.623 -12.335 1.00 79.98 24 A 1 ATOM 185 C CD2 . LEU A 1 24 ? -7.759 -13.028 -11.733 1.00 79.28 24 A 1 ATOM 186 N N . GLY A 1 25 ? -3.046 -14.300 -14.237 1.00 94.41 25 A 1 ATOM 187 C CA . GLY A 1 25 ? -2.174 -14.689 -15.351 1.00 94.56 25 A 1 ATOM 188 C C . GLY A 1 25 ? -1.064 -13.687 -15.704 1.00 96.00 25 A 1 ATOM 189 O O . GLY A 1 25 ? -0.286 -13.975 -16.607 1.00 94.49 25 A 1 ATOM 190 N N . LYS A 1 26 ? -0.969 -12.553 -14.996 1.00 96.56 26 A 1 ATOM 191 C CA . LYS A 1 26 ? 0.145 -11.606 -15.136 1.00 96.68 26 A 1 ATOM 192 C C . LYS A 1 26 ? 1.364 -12.055 -14.336 1.00 97.51 26 A 1 ATOM 193 O O . LYS A 1 26 ? 1.246 -12.749 -13.323 1.00 97.20 26 A 1 ATOM 194 C CB . LYS A 1 26 ? -0.271 -10.194 -14.690 1.00 94.97 26 A 1 ATOM 195 C CG . LYS A 1 26 ? -1.384 -9.621 -15.559 1.00 89.10 26 A 1 ATOM 196 C CD . LYS A 1 26 ? -1.796 -8.223 -15.072 1.00 88.34 26 A 1 ATOM 197 C CE . LYS A 1 26 ? -2.969 -7.694 -15.903 1.00 80.31 26 A 1 ATOM 198 N NZ . LYS A 1 26 ? -4.162 -8.574 -15.777 1.00 73.70 26 A 1 ATOM 199 N N . THR A 1 27 ? 2.534 -11.592 -14.744 1.00 98.09 27 A 1 ATOM 200 C CA . THR A 1 27 ? 3.740 -11.595 -13.911 1.00 98.21 27 A 1 ATOM 201 C C . THR A 1 27 ? 3.605 -10.593 -12.755 1.00 98.32 27 A 1 ATOM 202 O O . THR A 1 27 ? 2.754 -9.699 -12.766 1.00 98.22 27 A 1 ATOM 203 C CB . THR A 1 27 ? 4.991 -11.278 -14.745 1.00 98.14 27 A 1 ATOM 204 O OG1 . THR A 1 27 ? 4.890 -9.979 -15.267 1.00 97.44 27 A 1 ATOM 205 C CG2 . THR A 1 27 ? 5.199 -12.246 -15.909 1.00 96.89 27 A 1 ATOM 206 N N . GLU A 1 28 ? 4.453 -10.725 -11.737 1.00 98.24 28 A 1 ATOM 207 C CA . GLU A 1 28 ? 4.472 -9.757 -10.630 1.00 98.27 28 A 1 ATOM 208 C C . GLU A 1 28 ? 4.858 -8.352 -11.090 1.00 98.32 28 A 1 ATOM 209 O O . GLU A 1 28 ? 4.249 -7.385 -10.634 1.00 98.03 28 A 1 ATOM 210 C CB . GLU A 1 28 ? 5.432 -10.213 -9.528 1.00 98.02 28 A 1 ATOM 211 C CG . GLU A 1 28 ? 4.806 -11.365 -8.753 1.00 97.27 28 A 1 ATOM 212 C CD . GLU A 1 28 ? 5.694 -11.846 -7.622 1.00 97.49 28 A 1 ATOM 213 O OE1 . GLU A 1 28 ? 5.855 -13.074 -7.521 1.00 94.03 28 A 1 ATOM 214 O OE2 . GLU A 1 28 ? 6.147 -11.052 -6.770 1.00 95.37 28 A 1 ATOM 215 N N . ASP A 1 29 ? 5.804 -8.242 -12.016 1.00 98.26 29 A 1 ATOM 216 C CA . ASP A 1 29 ? 6.217 -6.942 -12.552 1.00 98.01 29 A 1 ATOM 217 C C . ASP A 1 29 ? 5.073 -6.261 -13.318 1.00 98.14 29 A 1 ATOM 218 O O . ASP A 1 29 ? 4.780 -5.090 -13.070 1.00 97.79 29 A 1 ATOM 219 C CB . ASP A 1 29 ? 7.467 -7.103 -13.431 1.00 97.15 29 A 1 ATOM 220 C CG . ASP A 1 29 ? 8.740 -7.408 -12.627 1.00 85.68 29 A 1 ATOM 221 O OD1 . ASP A 1 29 ? 8.788 -7.060 -11.423 1.00 81.06 29 A 1 ATOM 222 O OD2 . ASP A 1 29 ? 9.676 -7.978 -13.229 1.00 79.87 29 A 1 ATOM 223 N N . GLU A 1 30 ? 4.351 -7.003 -14.166 1.00 98.04 30 A 1 ATOM 224 C CA . GLU A 1 30 ? 3.161 -6.478 -14.855 1.00 97.96 30 A 1 ATOM 225 C C . GLU A 1 30 ? 2.063 -6.053 -13.866 1.00 97.98 30 A 1 ATOM 226 O O . GLU A 1 30 ? 1.391 -5.037 -14.076 1.00 97.76 30 A 1 ATOM 227 C CB . GLU A 1 30 ? 2.579 -7.552 -15.782 1.00 97.82 30 A 1 ATOM 228 C CG . GLU A 1 30 ? 3.415 -7.796 -17.050 1.00 95.99 30 A 1 ATOM 229 C CD . GLU A 1 30 ? 2.944 -9.067 -17.774 1.00 95.81 30 A 1 ATOM 230 O OE1 . GLU A 1 30 ? 2.839 -9.041 -19.016 1.00 90.86 30 A 1 ATOM 231 O OE2 . GLU A 1 30 ? 2.679 -10.072 -17.064 1.00 92.23 30 A 1 ATOM 232 N N . TYR A 1 31 ? 1.872 -6.806 -12.785 1.00 98.32 31 A 1 ATOM 233 C CA . TYR A 1 31 ? 0.939 -6.438 -11.721 1.00 98.35 31 A 1 ATOM 234 C C . TYR A 1 31 ? 1.359 -5.134 -11.032 1.00 98.39 31 A 1 ATOM 235 O O . TYR A 1 31 ? 0.535 -4.232 -10.860 1.00 98.30 31 A 1 ATOM 236 C CB . TYR A 1 31 ? 0.824 -7.593 -10.710 1.00 98.29 31 A 1 ATOM 237 C CG . TYR A 1 31 ? 0.070 -7.206 -9.451 1.00 98.26 31 A 1 ATOM 238 C CD1 . TYR A 1 31 ? 0.776 -6.797 -8.296 1.00 97.69 31 A 1 ATOM 239 C CD2 . TYR A 1 31 ? -1.337 -7.182 -9.453 1.00 97.78 31 A 1 ATOM 240 C CE1 . TYR A 1 31 ? 0.074 -6.363 -7.155 1.00 97.32 31 A 1 ATOM 241 C CE2 . TYR A 1 31 ? -2.044 -6.748 -8.315 1.00 97.34 31 A 1 ATOM 242 C CZ . TYR A 1 31 ? -1.337 -6.333 -7.167 1.00 97.37 31 A 1 ATOM 243 O OH . TYR A 1 31 ? -2.020 -5.895 -6.074 1.00 96.33 31 A 1 ATOM 244 N N . VAL A 1 32 ? 2.634 -5.018 -10.662 1.00 98.44 32 A 1 ATOM 245 C CA . VAL A 1 32 ? 3.190 -3.824 -10.011 1.00 98.50 32 A 1 ATOM 246 C C . VAL A 1 32 ? 3.048 -2.599 -10.922 1.00 98.42 32 A 1 ATOM 247 O O . VAL A 1 32 ? 2.578 -1.551 -10.473 1.00 98.29 32 A 1 ATOM 248 C CB . VAL A 1 32 ? 4.658 -4.081 -9.599 1.00 98.47 32 A 1 ATOM 249 C CG1 . VAL A 1 32 ? 5.354 -2.817 -9.096 1.00 98.17 32 A 1 ATOM 250 C CG2 . VAL A 1 32 ? 4.748 -5.097 -8.454 1.00 98.15 32 A 1 ATOM 251 N N . ASP A 1 33 ? 3.380 -2.732 -12.202 1.00 98.34 33 A 1 ATOM 252 C CA . ASP A 1 33 ? 3.270 -1.648 -13.183 1.00 98.10 33 A 1 ATOM 253 C C . ASP A 1 33 ? 1.819 -1.203 -13.384 1.00 97.99 33 A 1 ATOM 254 O O . ASP A 1 33 ? 1.515 -0.005 -13.348 1.00 97.61 33 A 1 ATOM 255 C CB . ASP A 1 33 ? 3.882 -2.096 -14.519 1.00 97.67 33 A 1 ATOM 256 C CG . ASP A 1 33 ? 5.410 -2.167 -14.488 1.00 95.32 33 A 1 ATOM 257 O OD1 . ASP A 1 33 ? 6.007 -1.787 -13.447 1.00 93.02 33 A 1 ATOM 258 O OD2 . ASP A 1 33 ? 5.984 -2.521 -15.535 1.00 92.51 33 A 1 ATOM 259 N N . PHE A 1 34 ? 0.905 -2.160 -13.525 1.00 97.88 34 A 1 ATOM 260 C CA . PHE A 1 34 ? -0.526 -1.886 -13.633 1.00 97.65 34 A 1 ATOM 261 C C . PHE A 1 34 ? -1.060 -1.162 -12.391 1.00 97.84 34 A 1 ATOM 262 O O . PHE A 1 34 ? -1.746 -0.142 -12.511 1.00 97.69 34 A 1 ATOM 263 C CB . PHE A 1 34 ? -1.268 -3.208 -13.875 1.00 97.15 34 A 1 ATOM 264 C CG . PHE A 1 34 ? -2.774 -3.045 -13.909 1.00 95.48 34 A 1 ATOM 265 C CD1 . PHE A 1 34 ? -3.546 -3.329 -12.764 1.00 93.10 34 A 1 ATOM 266 C CD2 . PHE A 1 34 ? -3.404 -2.567 -15.073 1.00 92.97 34 A 1 ATOM 267 C CE1 . PHE A 1 34 ? -4.939 -3.141 -12.789 1.00 90.66 34 A 1 ATOM 268 C CE2 . PHE A 1 34 ? -4.796 -2.380 -15.099 1.00 91.03 34 A 1 ATOM 269 C CZ . PHE A 1 34 ? -5.564 -2.667 -13.957 1.00 89.46 34 A 1 ATOM 270 N N . PHE A 1 35 ? -0.721 -1.661 -11.203 1.00 98.03 35 A 1 ATOM 271 C CA . PHE A 1 35 ? -1.142 -1.059 -9.939 1.00 98.15 35 A 1 ATOM 272 C C . PHE A 1 35 ? -0.648 0.384 -9.806 1.00 98.27 35 A 1 ATOM 273 O O . PHE A 1 35 ? -1.443 1.289 -9.544 1.00 98.22 35 A 1 ATOM 274 C CB . PHE A 1 35 ? -0.646 -1.918 -8.769 1.00 98.08 35 A 1 ATOM 275 C CG . PHE A 1 35 ? -1.057 -1.376 -7.410 1.00 97.96 35 A 1 ATOM 276 C CD1 . PHE A 1 35 ? -0.312 -0.354 -6.791 1.00 97.10 35 A 1 ATOM 277 C CD2 . PHE A 1 35 ? -2.207 -1.879 -6.777 1.00 96.97 35 A 1 ATOM 278 C CE1 . PHE A 1 35 ? -0.721 0.168 -5.550 1.00 96.12 35 A 1 ATOM 279 C CE2 . PHE A 1 35 ? -2.612 -1.360 -5.533 1.00 96.13 35 A 1 ATOM 280 C CZ . PHE A 1 35 ? -1.871 -0.335 -4.922 1.00 95.96 35 A 1 ATOM 281 N N . LEU A 1 36 ? 0.652 0.617 -10.006 1.00 98.23 36 A 1 ATOM 282 C CA . LEU A 1 36 ? 1.264 1.933 -9.813 1.00 98.32 36 A 1 ATOM 283 C C . LEU A 1 36 ? 0.799 2.947 -10.862 1.00 98.24 36 A 1 ATOM 284 O O . LEU A 1 36 ? 0.552 4.103 -10.519 1.00 98.22 36 A 1 ATOM 285 C CB . LEU A 1 36 ? 2.791 1.790 -9.815 1.00 98.44 36 A 1 ATOM 286 C CG . LEU A 1 36 ? 3.348 1.013 -8.608 1.00 98.24 36 A 1 ATOM 287 C CD1 . LEU A 1 36 ? 4.840 0.797 -8.808 1.00 98.09 36 A 1 ATOM 288 C CD2 . LEU A 1 36 ? 3.162 1.756 -7.283 1.00 98.05 36 A 1 ATOM 289 N N . SER A 1 37 ? 0.604 2.523 -12.110 1.00 98.15 37 A 1 ATOM 290 C CA . SER A 1 37 ? 0.020 3.374 -13.153 1.00 97.90 37 A 1 ATOM 291 C C . SER A 1 37 ? -1.408 3.810 -12.795 1.00 97.91 37 A 1 ATOM 292 O O . SER A 1 37 ? -1.731 5.002 -12.830 1.00 97.57 37 A 1 ATOM 293 C CB . SER A 1 37 ? 0.042 2.621 -14.488 1.00 97.25 37 A 1 ATOM 294 O OG . SER A 1 37 ? -0.453 3.454 -15.518 1.00 88.75 37 A 1 ATOM 295 N N . GLY A 1 38 ? -2.242 2.866 -12.362 1.00 98.02 38 A 1 ATOM 296 C CA . GLY A 1 38 ? -3.606 3.156 -11.914 1.00 97.89 38 A 1 ATOM 297 C C . GLY A 1 38 ? -3.653 4.048 -10.668 1.00 98.03 38 A 1 ATOM 298 O O . GLY A 1 38 ? -4.443 4.997 -10.604 1.00 97.76 38 A 1 ATOM 299 N N . LEU A 1 39 ? -2.786 3.788 -9.697 1.00 97.99 39 A 1 ATOM 300 C CA . LEU A 1 39 ? -2.670 4.601 -8.488 1.00 98.09 39 A 1 ATOM 301 C C . LEU A 1 39 ? -2.225 6.027 -8.807 1.00 98.13 39 A 1 ATOM 302 O O . LEU A 1 39 ? -2.856 6.971 -8.337 1.00 98.06 39 A 1 ATOM 303 C CB . LEU A 1 39 ? -1.719 3.918 -7.491 1.00 98.14 39 A 1 ATOM 304 C CG . LEU A 1 39 ? -1.500 4.738 -6.206 1.00 97.76 39 A 1 ATOM 305 C CD1 . LEU A 1 39 ? -2.807 5.053 -5.481 1.00 97.12 39 A 1 ATOM 306 C CD2 . LEU A 1 39 ? -0.590 3.972 -5.254 1.00 97.02 39 A 1 ATOM 307 N N . ARG A 1 40 ? -1.204 6.198 -9.643 1.00 97.84 40 A 1 ATOM 308 C CA . ARG A 1 40 ? -0.753 7.515 -10.112 1.00 97.78 40 A 1 ATOM 309 C C . ARG A 1 40 ? -1.910 8.318 -10.694 1.00 97.60 40 A 1 ATOM 310 O O . ARG A 1 40 ? -2.096 9.473 -10.321 1.00 97.32 40 A 1 ATOM 311 C CB . ARG A 1 40 ? 0.378 7.326 -11.135 1.00 97.44 40 A 1 ATOM 312 C CG . ARG A 1 40 ? 0.833 8.662 -11.741 1.00 95.50 40 A 1 ATOM 313 C CD . ARG A 1 40 ? 1.928 8.435 -12.781 1.00 93.66 40 A 1 ATOM 314 N NE . ARG A 1 40 ? 2.240 9.687 -13.498 1.00 86.86 40 A 1 ATOM 315 C CZ . ARG A 1 40 ? 1.964 9.979 -14.758 1.00 82.68 40 A 1 ATOM 316 N NH1 . ARG A 1 40 ? 1.335 9.150 -15.549 1.00 74.05 40 A 1 ATOM 317 N NH2 . ARG A 1 40 ? 2.337 11.125 -15.252 1.00 72.26 40 A 1 ATOM 318 N N . GLY A 1 41 ? -2.702 7.715 -11.575 1.00 97.86 41 A 1 ATOM 319 C CA . GLY A 1 41 ? -3.864 8.379 -12.175 1.00 97.59 41 A 1 ATOM 320 C C . GLY A 1 41 ? -4.901 8.844 -11.144 1.00 97.43 41 A 1 ATOM 321 O O . GLY A 1 41 ? -5.464 9.929 -11.286 1.00 96.82 41 A 1 ATOM 322 N N . ARG A 1 42 ? -5.125 8.066 -10.082 1.00 97.79 42 A 1 ATOM 323 C CA . ARG A 1 42 ? -6.024 8.438 -8.974 1.00 97.55 42 A 1 ATOM 324 C C . ARG A 1 42 ? -5.437 9.551 -8.101 1.00 97.47 42 A 1 ATOM 325 O O . ARG A 1 42 ? -6.139 10.517 -7.818 1.00 96.94 42 A 1 ATOM 326 C CB . ARG A 1 42 ? -6.371 7.202 -8.138 1.00 97.25 42 A 1 ATOM 327 C CG . ARG A 1 42 ? -7.280 6.217 -8.897 1.00 93.75 42 A 1 ATOM 328 C CD . ARG A 1 42 ? -7.681 5.020 -8.021 1.00 91.41 42 A 1 ATOM 329 N NE . ARG A 1 42 ? -6.557 4.106 -7.744 1.00 82.93 42 A 1 ATOM 330 C CZ . ARG A 1 42 ? -6.500 3.195 -6.782 1.00 77.06 42 A 1 ATOM 331 N NH1 . ARG A 1 42 ? -7.462 3.032 -5.921 1.00 71.02 42 A 1 ATOM 332 N NH2 . ARG A 1 42 ? -5.463 2.412 -6.670 1.00 66.54 42 A 1 ATOM 333 N N . LEU A 1 43 ? -4.164 9.442 -7.738 1.00 97.66 43 A 1 ATOM 334 C CA . LEU A 1 43 ? -3.467 10.435 -6.913 1.00 97.56 43 A 1 ATOM 335 C C . LEU A 1 43 ? -3.339 11.798 -7.610 1.00 97.45 43 A 1 ATOM 336 O O . LEU A 1 43 ? -3.447 12.824 -6.956 1.00 97.35 43 A 1 ATOM 337 C CB . LEU A 1 43 ? -2.072 9.913 -6.547 1.00 97.69 43 A 1 ATOM 338 C CG . LEU A 1 43 ? -2.048 8.766 -5.525 1.00 97.09 43 A 1 ATOM 339 C CD1 . LEU A 1 43 ? -0.631 8.201 -5.443 1.00 96.48 43 A 1 ATOM 340 C CD2 . LEU A 1 43 ? -2.452 9.234 -4.131 1.00 96.43 43 A 1 ATOM 341 N N . LEU A 1 44 ? -3.165 11.830 -8.932 1.00 96.83 44 A 1 ATOM 342 C CA . LEU A 1 44 ? -3.165 13.087 -9.693 1.00 96.35 44 A 1 ATOM 343 C C . LEU A 1 44 ? -4.519 13.812 -9.638 1.00 96.14 44 A 1 ATOM 344 O O . LEU A 1 44 ? -4.553 15.029 -9.742 1.00 95.45 44 A 1 ATOM 345 C CB . LEU A 1 44 ? -2.777 12.807 -11.155 1.00 96.18 44 A 1 ATOM 346 C CG . LEU A 1 44 ? -1.287 12.498 -11.381 1.00 95.51 44 A 1 ATOM 347 C CD1 . LEU A 1 44 ? -1.080 12.069 -12.836 1.00 94.31 44 A 1 ATOM 348 C CD2 . LEU A 1 44 ? -0.386 13.699 -11.106 1.00 94.37 44 A 1 ATOM 349 N N . LYS A 1 45 ? -5.620 13.077 -9.478 1.00 96.16 45 A 1 ATOM 350 C CA . LYS A 1 45 ? -6.967 13.650 -9.326 1.00 95.85 45 A 1 ATOM 351 C C . LYS A 1 45 ? -7.270 14.026 -7.879 1.00 95.90 45 A 1 ATOM 352 O O . LYS A 1 45 ? -7.950 15.010 -7.639 1.00 95.25 45 A 1 ATOM 353 C CB . LYS A 1 45 ? -8.023 12.662 -9.832 1.00 95.82 45 A 1 ATOM 354 C CG . LYS A 1 45 ? -7.929 12.414 -11.340 1.00 92.95 45 A 1 ATOM 355 C CD . LYS A 1 45 ? -8.985 11.387 -11.762 1.00 87.71 45 A 1 ATOM 356 C CE . LYS A 1 45 ? -8.878 11.120 -13.262 1.00 82.50 45 A 1 ATOM 357 N NZ . LYS A 1 45 ? -9.941 10.188 -13.721 1.00 73.10 45 A 1 ATOM 358 N N . ASN A 1 46 ? -6.810 13.220 -6.937 1.00 96.43 46 A 1 ATOM 359 C CA . ASN A 1 46 ? -6.982 13.461 -5.511 1.00 96.62 46 A 1 ATOM 360 C C . ASN A 1 46 ? -5.729 13.007 -4.742 1.00 97.21 46 A 1 ATOM 361 O O . ASN A 1 46 ? -5.645 11.838 -4.346 1.00 97.25 46 A 1 ATOM 362 C CB . ASN A 1 46 ? -8.262 12.768 -5.029 1.00 95.87 46 A 1 ATOM 363 C CG . ASN A 1 46 ? -8.582 13.134 -3.590 1.00 93.86 46 A 1 ATOM 364 O OD1 . ASN A 1 46 ? -7.768 13.645 -2.840 1.00 90.24 46 A 1 ATOM 365 N ND2 . ASN A 1 46 ? -9.797 12.893 -3.165 1.00 88.50 46 A 1 ATOM 366 N N . PRO A 1 47 ? -4.766 13.920 -4.510 1.00 97.17 47 A 1 ATOM 367 C CA . PRO A 1 47 ? -3.521 13.578 -3.828 1.00 97.50 47 A 1 ATOM 368 C C . PRO A 1 47 ? -3.740 13.001 -2.427 1.00 97.85 47 A 1 ATOM 369 O O . PRO A 1 47 ? -3.040 12.068 -2.047 1.00 97.75 47 A 1 ATOM 370 C CB . PRO A 1 47 ? -2.699 14.868 -3.804 1.00 97.22 47 A 1 ATOM 371 C CG . PRO A 1 47 ? -3.205 15.633 -5.021 1.00 95.97 47 A 1 ATOM 372 C CD . PRO A 1 47 ? -4.685 15.264 -5.058 1.00 97.26 47 A 1 ATOM 373 N N . ARG A 1 48 ? -4.750 13.459 -1.683 1.00 97.66 48 A 1 ATOM 374 C CA . ARG A 1 48 ? -5.041 12.975 -0.316 1.00 97.63 48 A 1 ATOM 375 C C . ARG A 1 48 ? -5.336 11.477 -0.227 1.00 97.89 48 A 1 ATOM 376 O O . ARG A 1 48 ? -5.242 10.911 0.857 1.00 97.59 48 A 1 ATOM 377 C CB . ARG A 1 48 ? -6.194 13.763 0.313 1.00 96.81 48 A 1 ATOM 378 C CG . ARG A 1 48 ? -5.818 15.223 0.598 1.00 90.56 48 A 1 ATOM 379 C CD . ARG A 1 48 ? -6.865 15.848 1.507 1.00 88.54 48 A 1 ATOM 380 N NE . ARG A 1 48 ? -6.543 17.261 1.803 1.00 79.33 48 A 1 ATOM 381 C CZ . ARG A 1 48 ? -7.216 18.313 1.374 1.00 71.26 48 A 1 ATOM 382 N NH1 . ARG A 1 48 ? -8.250 18.206 0.596 1.00 64.71 48 A 1 ATOM 383 N NH2 . ARG A 1 48 ? -6.858 19.511 1.713 1.00 60.99 48 A 1 ATOM 384 N N . LEU A 1 49 ? -5.628 10.826 -1.345 1.00 97.54 49 A 1 ATOM 385 C CA . LEU A 1 49 ? -5.822 9.375 -1.391 1.00 97.49 49 A 1 ATOM 386 C C . LEU A 1 49 ? -4.590 8.592 -0.894 1.00 98.09 49 A 1 ATOM 387 O O . LEU A 1 49 ? -4.737 7.458 -0.456 1.00 97.98 49 A 1 ATOM 388 C CB . LEU A 1 49 ? -6.201 8.986 -2.828 1.00 96.41 49 A 1 ATOM 389 C CG . LEU A 1 49 ? -6.578 7.505 -3.013 1.00 89.35 49 A 1 ATOM 390 C CD1 . LEU A 1 49 ? -7.849 7.133 -2.258 1.00 86.56 49 A 1 ATOM 391 C CD2 . LEU A 1 49 ? -6.804 7.224 -4.497 1.00 88.04 49 A 1 ATOM 392 N N . TYR A 1 50 ? -3.392 9.189 -0.911 1.00 98.12 50 A 1 ATOM 393 C CA . TYR A 1 50 ? -2.190 8.538 -0.377 1.00 98.45 50 A 1 ATOM 394 C C . TYR A 1 50 ? -2.356 8.115 1.090 1.00 98.56 50 A 1 ATOM 395 O O . TYR A 1 50 ? -1.812 7.086 1.487 1.00 98.50 50 A 1 ATOM 396 C CB . TYR A 1 50 ? -0.962 9.439 -0.545 1.00 98.49 50 A 1 ATOM 397 C CG . TYR A 1 50 ? -0.688 10.386 0.609 1.00 98.54 50 A 1 ATOM 398 C CD1 . TYR A 1 50 ? -1.279 11.664 0.648 1.00 98.36 50 A 1 ATOM 399 C CD2 . TYR A 1 50 ? 0.135 9.973 1.672 1.00 98.34 50 A 1 ATOM 400 C CE1 . TYR A 1 50 ? -1.060 12.513 1.747 1.00 98.18 50 A 1 ATOM 401 C CE2 . TYR A 1 50 ? 0.349 10.821 2.772 1.00 98.10 50 A 1 ATOM 402 C CZ . TYR A 1 50 ? -0.251 12.089 2.814 1.00 98.14 50 A 1 ATOM 403 O OH . TYR A 1 50 ? -0.050 12.896 3.889 1.00 97.55 50 A 1 ATOM 404 N N . ARG A 1 51 ? -3.147 8.872 1.860 1.00 98.55 51 A 1 ATOM 405 C CA . ARG A 1 51 ? -3.397 8.619 3.284 1.00 98.60 51 A 1 ATOM 406 C C . ARG A 1 51 ? -4.038 7.253 3.521 1.00 98.65 51 A 1 ATOM 407 O O . ARG A 1 51 ? -3.748 6.631 4.529 1.00 98.47 51 A 1 ATOM 408 C CB . ARG A 1 51 ? -4.278 9.731 3.862 1.00 98.41 51 A 1 ATOM 409 C CG . ARG A 1 51 ? -3.607 11.117 3.854 1.00 97.90 51 A 1 ATOM 410 C CD . ARG A 1 51 ? -4.590 12.144 4.411 1.00 97.15 51 A 1 ATOM 411 N NE . ARG A 1 51 ? -4.063 13.520 4.411 1.00 95.69 51 A 1 ATOM 412 C CZ . ARG A 1 51 ? -4.742 14.593 4.773 1.00 94.93 51 A 1 ATOM 413 N NH1 . ARG A 1 51 ? -5.979 14.532 5.166 1.00 92.36 51 A 1 ATOM 414 N NH2 . ARG A 1 51 ? -4.191 15.768 4.747 1.00 91.72 51 A 1 ATOM 415 N N . SER A 1 52 ? -4.826 6.751 2.580 1.00 98.63 52 A 1 ATOM 416 C CA . SER A 1 52 ? -5.447 5.424 2.711 1.00 98.62 52 A 1 ATOM 417 C C . SER A 1 52 ? -4.432 4.277 2.771 1.00 98.73 52 A 1 ATOM 418 O O . SER A 1 52 ? -4.759 3.203 3.249 1.00 98.53 52 A 1 ATOM 419 C CB . SER A 1 52 ? -6.442 5.169 1.576 1.00 98.22 52 A 1 ATOM 420 O OG . SER A 1 52 ? -5.805 4.960 0.333 1.00 96.22 52 A 1 ATOM 421 N N . TYR A 1 53 ? -3.215 4.499 2.310 1.00 98.76 53 A 1 ATOM 422 C CA . TYR A 1 53 ? -2.135 3.511 2.357 1.00 98.78 53 A 1 ATOM 423 C C . TYR A 1 53 ? -1.313 3.585 3.647 1.00 98.78 53 A 1 ATOM 424 O O . TYR A 1 53 ? -0.466 2.715 3.865 1.00 98.53 53 A 1 ATOM 425 C CB . TYR A 1 53 ? -1.260 3.651 1.111 1.00 98.75 53 A 1 ATOM 426 C CG . TYR A 1 53 ? -2.014 3.374 -0.173 1.00 98.73 53 A 1 ATOM 427 C CD1 . TYR A 1 53 ? -2.291 2.044 -0.546 1.00 98.44 53 A 1 ATOM 428 C CD2 . TYR A 1 53 ? -2.496 4.436 -0.960 1.00 98.45 53 A 1 ATOM 429 C CE1 . TYR A 1 53 ? -3.054 1.774 -1.695 1.00 98.17 53 A 1 ATOM 430 C CE2 . TYR A 1 53 ? -3.266 4.171 -2.110 1.00 98.15 53 A 1 ATOM 431 C CZ . TYR A 1 53 ? -3.551 2.837 -2.471 1.00 98.16 53 A 1 ATOM 432 O OH . TYR A 1 53 ? -4.321 2.573 -3.559 1.00 97.30 53 A 1 ATOM 433 N N . GLY A 1 54 ? -1.548 4.590 4.487 1.00 98.53 54 A 1 ATOM 434 C CA . GLY A 1 54 ? -0.927 4.734 5.798 1.00 98.50 54 A 1 ATOM 435 C C . GLY A 1 54 ? 0.585 4.477 5.781 1.00 98.65 54 A 1 ATOM 436 O O . GLY A 1 54 ? 1.302 5.061 4.961 1.00 98.41 54 A 1 ATOM 437 N N . PRO A 1 55 ? 1.078 3.568 6.632 1.00 98.78 55 A 1 ATOM 438 C CA . PRO A 1 55 ? 2.510 3.297 6.746 1.00 98.77 55 A 1 ATOM 439 C C . PRO A 1 55 ? 3.120 2.596 5.515 1.00 98.79 55 A 1 ATOM 440 O O . PRO A 1 55 ? 4.340 2.551 5.376 1.00 98.65 55 A 1 ATOM 441 C CB . PRO A 1 55 ? 2.625 2.454 8.018 1.00 98.64 55 A 1 ATOM 442 C CG . PRO A 1 55 ? 1.301 1.700 8.063 1.00 98.05 55 A 1 ATOM 443 C CD . PRO A 1 55 ? 0.322 2.750 7.586 1.00 98.67 55 A 1 ATOM 444 N N . TYR A 1 56 ? 2.309 2.089 4.577 1.00 98.76 56 A 1 ATOM 445 C CA . TYR A 1 56 ? 2.805 1.538 3.308 1.00 98.80 56 A 1 ATOM 446 C C . TYR A 1 56 ? 3.145 2.615 2.270 1.00 98.81 56 A 1 ATOM 447 O O . TYR A 1 56 ? 3.861 2.330 1.304 1.00 98.70 56 A 1 ATOM 448 C CB . TYR A 1 56 ? 1.789 0.547 2.730 1.00 98.78 56 A 1 ATOM 449 C CG . TYR A 1 56 ? 1.594 -0.687 3.576 1.00 98.79 56 A 1 ATOM 450 C CD1 . TYR A 1 56 ? 2.545 -1.726 3.531 1.00 98.62 56 A 1 ATOM 451 C CD2 . TYR A 1 56 ? 0.472 -0.800 4.421 1.00 98.63 56 A 1 ATOM 452 C CE1 . TYR A 1 56 ? 2.379 -2.873 4.327 1.00 98.49 56 A 1 ATOM 453 C CE2 . TYR A 1 56 ? 0.304 -1.946 5.220 1.00 98.48 56 A 1 ATOM 454 C CZ . TYR A 1 56 ? 1.258 -2.983 5.174 1.00 98.53 56 A 1 ATOM 455 O OH . TYR A 1 56 ? 1.100 -4.087 5.953 1.00 98.10 56 A 1 ATOM 456 N N . TRP A 1 57 ? 2.670 3.856 2.453 1.00 98.80 57 A 1 ATOM 457 C CA . TRP A 1 57 ? 2.889 4.941 1.495 1.00 98.84 57 A 1 ATOM 458 C C . TRP A 1 57 ? 4.365 5.192 1.147 1.00 98.84 57 A 1 ATOM 459 O O . TRP A 1 57 ? 4.653 5.306 -0.048 1.00 98.76 57 A 1 ATOM 460 C CB . TRP A 1 57 ? 2.213 6.228 1.977 1.00 98.82 57 A 1 ATOM 461 C CG . TRP A 1 57 ? 2.545 7.414 1.121 1.00 98.82 57 A 1 ATOM 462 C CD1 . TRP A 1 57 ? 3.255 8.498 1.505 1.00 98.68 57 A 1 ATOM 463 C CD2 . TRP A 1 57 ? 2.263 7.602 -0.297 1.00 98.79 57 A 1 ATOM 464 N NE1 . TRP A 1 57 ? 3.414 9.355 0.438 1.00 98.58 57 A 1 ATOM 465 C CE2 . TRP A 1 57 ? 2.829 8.846 -0.703 1.00 98.67 57 A 1 ATOM 466 C CE3 . TRP A 1 57 ? 1.595 6.845 -1.283 1.00 98.65 57 A 1 ATOM 467 C CZ2 . TRP A 1 57 ? 2.740 9.317 -2.024 1.00 98.41 57 A 1 ATOM 468 C CZ3 . TRP A 1 57 ? 1.497 7.308 -2.612 1.00 98.45 57 A 1 ATOM 469 C CH2 . TRP A 1 57 ? 2.068 8.543 -2.981 1.00 98.35 57 A 1 ATOM 470 N N . PRO A 1 58 ? 5.325 5.211 2.088 1.00 98.80 58 A 1 ATOM 471 C CA . PRO A 1 58 ? 6.732 5.439 1.755 1.00 98.78 58 A 1 ATOM 472 C C . PRO A 1 58 ? 7.314 4.424 0.755 1.00 98.79 58 A 1 ATOM 473 O O . PRO A 1 58 ? 8.050 4.806 -0.157 1.00 98.67 58 A 1 ATOM 474 C CB . PRO A 1 58 ? 7.470 5.407 3.092 1.00 98.64 58 A 1 ATOM 475 C CG . PRO A 1 58 ? 6.416 5.893 4.081 1.00 97.99 58 A 1 ATOM 476 C CD . PRO A 1 58 ? 5.150 5.242 3.536 1.00 98.66 58 A 1 ATOM 477 N N . GLU A 1 59 ? 6.957 3.136 0.867 1.00 98.65 59 A 1 ATOM 478 C CA . GLU A 1 59 ? 7.401 2.144 -0.126 1.00 98.68 59 A 1 ATOM 479 C C . GLU A 1 59 ? 6.683 2.332 -1.468 1.00 98.73 59 A 1 ATOM 480 O O . GLU A 1 59 ? 7.329 2.291 -2.510 1.00 98.61 59 A 1 ATOM 481 C CB . GLU A 1 59 ? 7.238 0.711 0.404 1.00 98.53 59 A 1 ATOM 482 C CG . GLU A 1 59 ? 7.745 -0.383 -0.572 1.00 97.29 59 A 1 ATOM 483 C CD . GLU A 1 59 ? 9.254 -0.343 -0.909 1.00 97.25 59 A 1 ATOM 484 O OE1 . GLU A 1 59 ? 9.730 -1.124 -1.762 1.00 92.92 59 A 1 ATOM 485 O OE2 . GLU A 1 59 ? 10.011 0.451 -0.315 1.00 93.84 59 A 1 ATOM 486 N N . ILE A 1 60 ? 5.387 2.631 -1.464 1.00 98.76 60 A 1 ATOM 487 C CA . ILE A 1 60 ? 4.643 2.941 -2.694 1.00 98.79 60 A 1 ATOM 488 C C . ILE A 1 60 ? 5.268 4.140 -3.416 1.00 98.77 60 A 1 ATOM 489 O O . ILE A 1 60 ? 5.511 4.075 -4.621 1.00 98.71 60 A 1 ATOM 490 C CB . ILE A 1 60 ? 3.154 3.190 -2.379 1.00 98.79 60 A 1 ATOM 491 C CG1 . ILE A 1 60 ? 2.482 1.896 -1.874 1.00 98.63 60 A 1 ATOM 492 C CG2 . ILE A 1 60 ? 2.417 3.719 -3.624 1.00 98.67 60 A 1 ATOM 493 C CD1 . ILE A 1 60 ? 1.060 2.113 -1.348 1.00 98.39 60 A 1 ATOM 494 N N . LYS A 1 61 ? 5.569 5.223 -2.695 1.00 98.72 61 A 1 ATOM 495 C CA . LYS A 1 61 ? 6.213 6.422 -3.258 1.00 98.74 61 A 1 ATOM 496 C C . LYS A 1 61 ? 7.573 6.094 -3.866 1.00 98.74 61 A 1 ATOM 497 O O . LYS A 1 61 ? 7.868 6.531 -4.976 1.00 98.64 61 A 1 ATOM 498 C CB . LYS A 1 61 ? 6.312 7.509 -2.179 1.00 98.63 61 A 1 ATOM 499 C CG . LYS A 1 61 ? 6.777 8.857 -2.759 1.00 98.28 61 A 1 ATOM 500 C CD . LYS A 1 61 ? 6.774 9.939 -1.674 1.00 98.02 61 A 1 ATOM 501 C CE . LYS A 1 61 ? 7.148 11.315 -2.234 1.00 97.03 61 A 1 ATOM 502 N NZ . LYS A 1 61 ? 7.084 12.367 -1.199 1.00 97.04 61 A 1 ATOM 503 N N . LYS A 1 62 ? 8.380 5.269 -3.196 1.00 98.72 62 A 1 ATOM 504 C CA . LYS A 1 62 ? 9.644 4.780 -3.757 1.00 98.62 62 A 1 ATOM 505 C C . LYS A 1 62 ? 9.422 4.021 -5.070 1.00 98.62 62 A 1 ATOM 506 O O . LYS A 1 62 ? 10.095 4.320 -6.053 1.00 98.44 62 A 1 ATOM 507 C CB . LYS A 1 62 ? 10.372 3.916 -2.728 1.00 98.37 62 A 1 ATOM 508 C CG . LYS A 1 62 ? 11.693 3.357 -3.281 1.00 96.02 62 A 1 ATOM 509 C CD . LYS A 1 62 ? 12.236 2.286 -2.349 1.00 90.51 62 A 1 ATOM 510 C CE . LYS A 1 62 ? 13.356 1.478 -2.996 1.00 84.19 62 A 1 ATOM 511 N NZ . LYS A 1 62 ? 12.823 0.352 -3.807 1.00 73.91 62 A 1 ATOM 512 N N . LEU A 1 63 ? 8.479 3.083 -5.107 1.00 98.52 63 A 1 ATOM 513 C CA . LEU A 1 63 ? 8.179 2.293 -6.306 1.00 98.42 63 A 1 ATOM 514 C C . LEU A 1 63 ? 7.650 3.159 -7.465 1.00 98.29 63 A 1 ATOM 515 O O . LEU A 1 63 ? 7.942 2.879 -8.628 1.00 98.06 63 A 1 ATOM 516 C CB . LEU A 1 63 ? 7.159 1.199 -5.946 1.00 98.52 63 A 1 ATOM 517 C CG . LEU A 1 63 ? 7.674 0.085 -5.013 1.00 98.28 63 A 1 ATOM 518 C CD1 . LEU A 1 63 ? 6.496 -0.805 -4.605 1.00 97.95 63 A 1 ATOM 519 C CD2 . LEU A 1 63 ? 8.734 -0.786 -5.684 1.00 97.99 63 A 1 ATOM 520 N N . LEU A 1 64 ? 6.903 4.227 -7.164 1.00 98.45 64 A 1 ATOM 521 C CA . LEU A 1 64 ? 6.501 5.240 -8.150 1.00 98.38 64 A 1 ATOM 522 C C . LEU A 1 64 ? 7.724 5.984 -8.716 1.00 98.22 64 A 1 ATOM 523 O O . LEU A 1 64 ? 7.845 6.133 -9.931 1.00 98.07 64 A 1 ATOM 524 C CB . LEU A 1 64 ? 5.514 6.231 -7.499 1.00 98.45 64 A 1 ATOM 525 C CG . LEU A 1 64 ? 4.092 5.681 -7.267 1.00 98.17 64 A 1 ATOM 526 C CD1 . LEU A 1 64 ? 3.316 6.601 -6.325 1.00 97.88 64 A 1 ATOM 527 C CD2 . LEU A 1 64 ? 3.305 5.589 -8.575 1.00 97.90 64 A 1 ATOM 528 N N . LEU A 1 65 ? 8.652 6.402 -7.854 1.00 98.26 65 A 1 ATOM 529 C CA . LEU A 1 65 ? 9.885 7.086 -8.262 1.00 98.04 65 A 1 ATOM 530 C C . LEU A 1 65 ? 10.783 6.205 -9.136 1.00 97.74 65 A 1 ATOM 531 O O . LEU A 1 65 ? 11.318 6.691 -10.131 1.00 97.26 65 A 1 ATOM 532 C CB . LEU A 1 65 ? 10.653 7.550 -7.014 1.00 97.92 65 A 1 ATOM 533 C CG . LEU A 1 65 ? 10.010 8.734 -6.276 1.00 96.85 65 A 1 ATOM 534 C CD1 . LEU A 1 65 ? 10.706 8.936 -4.934 1.00 95.70 65 A 1 ATOM 535 C CD2 . LEU A 1 65 ? 10.129 10.023 -7.081 1.00 95.99 65 A 1 ATOM 536 N N . GLU A 1 66 ? 10.912 4.920 -8.823 1.00 97.92 66 A 1 ATOM 537 C CA . GLU A 1 66 ? 11.685 3.949 -9.623 1.00 97.41 66 A 1 ATOM 538 C C . GLU A 1 66 ? 11.138 3.787 -11.049 1.00 96.91 66 A 1 ATOM 539 O O . GLU A 1 66 ? 11.886 3.461 -11.963 1.00 95.64 66 A 1 ATOM 540 C CB . GLU A 1 66 ? 11.718 2.591 -8.898 1.00 97.24 66 A 1 ATOM 541 C CG . GLU A 1 66 ? 12.663 2.650 -7.693 1.00 96.15 66 A 1 ATOM 542 C CD . GLU A 1 66 ? 12.689 1.378 -6.836 1.00 95.77 66 A 1 ATOM 543 O OE1 . GLU A 1 66 ? 13.743 1.145 -6.194 1.00 91.87 66 A 1 ATOM 544 O OE2 . GLU A 1 66 ? 11.659 0.705 -6.651 1.00 92.58 66 A 1 ATOM 545 N N . ARG A 1 67 ? 9.862 4.114 -11.261 1.00 96.93 67 A 1 ATOM 546 C CA . ARG A 1 67 ? 9.188 4.133 -12.571 1.00 95.89 67 A 1 ATOM 547 C C . ARG A 1 67 ? 9.135 5.520 -13.223 1.00 95.75 67 A 1 ATOM 548 O O . ARG A 1 67 ? 8.403 5.737 -14.183 1.00 93.58 67 A 1 ATOM 549 C CB . ARG A 1 67 ? 7.803 3.502 -12.406 1.00 95.18 67 A 1 ATOM 550 C CG . ARG A 1 67 ? 7.942 1.999 -12.192 1.00 92.81 67 A 1 ATOM 551 C CD . ARG A 1 67 ? 6.653 1.404 -11.647 1.00 91.85 67 A 1 ATOM 552 N NE . ARG A 1 67 ? 6.759 -0.052 -11.588 1.00 92.05 67 A 1 ATOM 553 C CZ . ARG A 1 67 ? 7.481 -0.788 -10.770 1.00 91.35 67 A 1 ATOM 554 N NH1 . ARG A 1 67 ? 8.131 -0.288 -9.757 1.00 85.12 67 A 1 ATOM 555 N NH2 . ARG A 1 67 ? 7.567 -2.063 -10.992 1.00 86.44 67 A 1 ATOM 556 N N . GLY A 1 68 ? 9.877 6.478 -12.684 1.00 96.57 68 A 1 ATOM 557 C CA . GLY A 1 68 ? 9.911 7.848 -13.208 1.00 96.16 68 A 1 ATOM 558 C C . GLY A 1 68 ? 8.685 8.701 -12.858 1.00 96.39 68 A 1 ATOM 559 O O . GLY A 1 68 ? 8.530 9.802 -13.388 1.00 94.53 68 A 1 ATOM 560 N N . TYR A 1 69 ? 7.815 8.245 -11.955 1.00 95.44 69 A 1 ATOM 561 C CA . TYR A 1 69 ? 6.635 8.988 -11.515 1.00 95.11 69 A 1 ATOM 562 C C . TYR A 1 69 ? 6.973 9.954 -10.371 1.00 94.41 69 A 1 ATOM 563 O O . TYR A 1 69 ? 6.589 9.753 -9.221 1.00 91.09 69 A 1 ATOM 564 C CB . TYR A 1 69 ? 5.501 8.016 -11.165 1.00 94.85 69 A 1 ATOM 565 C CG . TYR A 1 69 ? 5.060 7.055 -12.256 1.00 95.40 69 A 1 ATOM 566 C CD1 . TYR A 1 69 ? 5.068 7.428 -13.615 1.00 92.18 69 A 1 ATOM 567 C CD2 . TYR A 1 69 ? 4.608 5.767 -11.895 1.00 93.11 69 A 1 ATOM 568 C CE1 . TYR A 1 69 ? 4.641 6.523 -14.605 1.00 91.75 69 A 1 ATOM 569 C CE2 . TYR A 1 69 ? 4.174 4.864 -12.880 1.00 92.31 69 A 1 ATOM 570 C CZ . TYR A 1 69 ? 4.192 5.240 -14.237 1.00 93.51 69 A 1 ATOM 571 O OH . TYR A 1 69 ? 3.779 4.365 -15.193 1.00 91.54 69 A 1 ATOM 572 N N . GLY A 1 70 ? 7.680 11.040 -10.694 1.00 93.36 70 A 1 ATOM 573 C CA . GLY A 1 70 ? 8.094 12.081 -9.734 1.00 92.50 70 A 1 ATOM 574 C C . GLY A 1 70 ? 7.007 13.089 -9.334 1.00 93.89 70 A 1 ATOM 575 O O . GLY A 1 70 ? 7.322 14.090 -8.695 1.00 90.42 70 A 1 ATOM 576 N N . ASN A 1 71 ? 5.748 12.868 -9.712 1.00 94.07 71 A 1 ATOM 577 C CA . ASN A 1 71 ? 4.647 13.821 -9.490 1.00 94.08 71 A 1 ATOM 578 C C . ASN A 1 71 ? 4.346 14.119 -8.010 1.00 95.21 71 A 1 ATOM 579 O O . ASN A 1 71 ? 3.716 15.128 -7.727 1.00 93.64 71 A 1 ATOM 580 C CB . ASN A 1 71 ? 3.378 13.277 -10.173 1.00 91.62 71 A 1 ATOM 581 C CG . ASN A 1 71 ? 3.530 13.142 -11.675 1.00 87.36 71 A 1 ATOM 582 O OD1 . ASN A 1 71 ? 3.822 12.086 -12.208 1.00 79.49 71 A 1 ATOM 583 N ND2 . ASN A 1 71 ? 3.338 14.218 -12.407 1.00 80.04 71 A 1 ATOM 584 N N . PHE A 1 72 ? 4.765 13.242 -7.103 1.00 96.48 72 A 1 ATOM 585 C CA . PHE A 1 72 ? 4.444 13.292 -5.669 1.00 96.74 72 A 1 ATOM 586 C C . PHE A 1 72 ? 5.657 13.663 -4.803 1.00 97.02 72 A 1 ATOM 587 O O . PHE A 1 72 ? 5.708 13.325 -3.622 1.00 95.52 72 A 1 ATOM 588 C CB . PHE A 1 72 ? 3.786 11.963 -5.267 1.00 96.53 72 A 1 ATOM 589 C CG . PHE A 1 72 ? 2.683 11.538 -6.213 1.00 97.04 72 A 1 ATOM 590 C CD1 . PHE A 1 72 ? 1.510 12.309 -6.315 1.00 95.56 72 A 1 ATOM 591 C CD2 . PHE A 1 72 ? 2.866 10.429 -7.062 1.00 96.14 72 A 1 ATOM 592 C CE1 . PHE A 1 72 ? 0.534 11.982 -7.268 1.00 95.15 72 A 1 ATOM 593 C CE2 . PHE A 1 72 ? 1.886 10.103 -8.014 1.00 95.32 72 A 1 ATOM 594 C CZ . PHE A 1 72 ? 0.724 10.886 -8.124 1.00 95.67 72 A 1 ATOM 595 N N . GLY A 1 73 ? 6.648 14.344 -5.384 1.00 96.73 73 A 1 ATOM 596 C CA . GLY A 1 73 ? 7.902 14.679 -4.718 1.00 96.66 73 A 1 ATOM 597 C C . GLY A 1 73 ? 8.890 13.514 -4.678 1.00 97.04 73 A 1 ATOM 598 O O . GLY A 1 73 ? 8.688 12.470 -5.311 1.00 96.20 73 A 1 ATOM 599 N N . ARG A 1 74 ? 9.999 13.718 -3.966 1.00 97.39 74 A 1 ATOM 600 C CA . ARG A 1 74 ? 11.139 12.782 -3.922 1.00 97.28 74 A 1 ATOM 601 C C . ARG A 1 74 ? 11.521 12.322 -2.516 1.00 97.71 74 A 1 ATOM 602 O O . ARG A 1 74 ? 12.329 11.404 -2.379 1.00 96.49 74 A 1 ATOM 603 C CB . ARG A 1 74 ? 12.348 13.411 -4.629 1.00 95.82 74 A 1 ATOM 604 C CG . ARG A 1 74 ? 12.104 13.607 -6.131 1.00 90.53 74 A 1 ATOM 605 C CD . ARG A 1 74 ? 13.370 14.136 -6.804 1.00 84.20 74 A 1 ATOM 606 N NE . ARG A 1 74 ? 13.216 14.190 -8.270 1.00 73.66 74 A 1 ATOM 607 C CZ . ARG A 1 74 ? 14.165 14.475 -9.144 1.00 63.14 74 A 1 ATOM 608 N NH1 . ARG A 1 74 ? 15.376 14.790 -8.774 1.00 56.30 74 A 1 ATOM 609 N NH2 . ARG A 1 74 ? 13.908 14.451 -10.423 1.00 54.38 74 A 1 ATOM 610 N N . LEU A 1 75 ? 10.972 12.957 -1.488 1.00 97.61 75 A 1 ATOM 611 C CA . LEU A 1 75 ? 11.235 12.576 -0.107 1.00 97.61 75 A 1 ATOM 612 C C . LEU A 1 75 ? 10.490 11.281 0.221 1.00 97.96 75 A 1 ATOM 613 O O . LEU A 1 75 ? 9.284 11.174 -0.000 1.00 97.56 75 A 1 ATOM 614 C CB . LEU A 1 75 ? 10.855 13.723 0.844 1.00 96.92 75 A 1 ATOM 615 C CG . LEU A 1 75 ? 11.630 15.035 0.598 1.00 89.09 75 A 1 ATOM 616 C CD1 . LEU A 1 75 ? 11.139 16.105 1.569 1.00 84.49 75 A 1 ATOM 617 C CD2 . LEU A 1 75 ? 13.141 14.862 0.785 1.00 85.06 75 A 1 ATOM 618 N N . VAL A 1 76 ? 11.233 10.296 0.710 1.00 97.97 76 A 1 ATOM 619 C CA . VAL A 1 76 ? 10.696 9.003 1.151 1.00 98.04 76 A 1 ATOM 620 C C . VAL A 1 76 ? 11.097 8.814 2.604 1.00 97.96 76 A 1 ATOM 621 O O . VAL A 1 76 ? 12.291 8.845 2.912 1.00 97.14 76 A 1 ATOM 622 C CB . VAL A 1 76 ? 11.221 7.850 0.273 1.00 97.76 76 A 1 ATOM 623 C CG1 . VAL A 1 76 ? 10.777 6.479 0.799 1.00 96.92 76 A 1 ATOM 624 C CG2 . VAL A 1 76 ? 10.732 7.973 -1.176 1.00 97.05 76 A 1 ATOM 625 N N . ASP A 1 77 ? 10.120 8.599 3.472 1.00 98.03 77 A 1 ATOM 626 C CA . ASP A 1 77 ? 10.366 8.257 4.871 1.00 97.97 77 A 1 ATOM 627 C C . ASP A 1 77 ? 10.986 6.855 4.959 1.00 98.04 77 A 1 ATOM 628 O O . ASP A 1 77 ? 10.341 5.827 4.742 1.00 97.72 77 A 1 ATOM 629 C CB . ASP A 1 77 ? 9.074 8.386 5.680 1.00 97.46 77 A 1 ATOM 630 C CG . ASP A 1 77 ? 9.324 8.207 7.181 1.00 96.14 77 A 1 ATOM 631 O OD1 . ASP A 1 77 ? 10.279 7.470 7.538 1.00 94.25 77 A 1 ATOM 632 O OD2 . ASP A 1 77 ? 8.541 8.792 7.945 1.00 93.01 77 A 1 ATOM 633 N N . ARG A 1 78 ? 12.287 6.827 5.215 1.00 97.68 78 A 1 ATOM 634 C CA . ARG A 1 78 ? 13.069 5.586 5.248 1.00 97.52 78 A 1 ATOM 635 C C . ARG A 1 78 ? 12.810 4.764 6.501 1.00 97.81 78 A 1 ATOM 636 O O . ARG A 1 78 ? 12.951 3.541 6.436 1.00 97.01 78 A 1 ATOM 637 C CB . ARG A 1 78 ? 14.564 5.901 5.124 1.00 96.66 78 A 1 ATOM 638 C CG . ARG A 1 78 ? 14.919 6.526 3.768 1.00 89.18 78 A 1 ATOM 639 C CD . ARG A 1 78 ? 16.429 6.755 3.688 1.00 85.08 78 A 1 ATOM 640 N NE . ARG A 1 78 ? 16.823 7.348 2.399 1.00 73.96 78 A 1 ATOM 641 C CZ . ARG A 1 78 ? 18.059 7.598 2.004 1.00 65.10 78 A 1 ATOM 642 N NH1 . ARG A 1 78 ? 19.090 7.321 2.754 1.00 59.73 78 A 1 ATOM 643 N NH2 . ARG A 1 78 ? 18.282 8.141 0.839 1.00 55.01 78 A 1 ATOM 644 N N . ASP A 1 79 ? 12.459 5.418 7.598 1.00 97.56 79 A 1 ATOM 645 C CA . ASP A 1 79 ? 12.274 4.761 8.889 1.00 97.16 79 A 1 ATOM 646 C C . ASP A 1 79 ? 10.955 3.987 8.896 1.00 97.52 79 A 1 ATOM 647 O O . ASP A 1 79 ? 10.949 2.791 9.194 1.00 96.70 79 A 1 ATOM 648 C CB . ASP A 1 79 ? 12.373 5.795 10.021 1.00 96.27 79 A 1 ATOM 649 C CG . ASP A 1 79 ? 13.787 6.388 10.142 1.00 93.08 79 A 1 ATOM 650 O OD1 . ASP A 1 79 ? 14.759 5.654 9.824 1.00 90.50 79 A 1 ATOM 651 O OD2 . ASP A 1 79 ? 13.899 7.565 10.535 1.00 89.19 79 A 1 ATOM 652 N N . VAL A 1 80 ? 9.876 4.601 8.428 1.00 97.76 80 A 1 ATOM 653 C CA . VAL A 1 80 ? 8.590 3.915 8.225 1.00 98.07 80 A 1 ATOM 654 C C . VAL A 1 80 ? 8.724 2.819 7.166 1.00 98.12 80 A 1 ATOM 655 O O . VAL A 1 80 ? 8.351 1.663 7.393 1.00 97.73 80 A 1 ATOM 656 C CB . VAL A 1 80 ? 7.490 4.922 7.837 1.00 98.02 80 A 1 ATOM 657 C CG1 . VAL A 1 80 ? 6.153 4.218 7.597 1.00 97.30 80 A 1 ATOM 658 C CG2 . VAL A 1 80 ? 7.284 5.963 8.940 1.00 97.44 80 A 1 ATOM 659 N N . ARG A 1 81 ? 9.336 3.145 6.031 1.00 97.76 81 A 1 ATOM 660 C CA . ARG A 1 81 ? 9.564 2.208 4.930 1.00 97.76 81 A 1 ATOM 661 C C . ARG A 1 81 ? 10.303 0.937 5.362 1.00 97.41 81 A 1 ATOM 662 O O . ARG A 1 81 ? 10.042 -0.135 4.820 1.00 96.49 81 A 1 ATOM 663 C CB . ARG A 1 81 ? 10.335 2.940 3.823 1.00 97.22 81 A 1 ATOM 664 C CG . ARG A 1 81 ? 10.615 2.035 2.625 1.00 95.05 81 A 1 ATOM 665 C CD . ARG A 1 81 ? 11.436 2.752 1.557 1.00 94.29 81 A 1 ATOM 666 N NE . ARG A 1 81 ? 11.843 1.743 0.570 1.00 91.52 81 A 1 ATOM 667 C CZ . ARG A 1 81 ? 12.934 1.010 0.553 1.00 91.11 81 A 1 ATOM 668 N NH1 . ARG A 1 81 ? 13.962 1.267 1.298 1.00 82.17 81 A 1 ATOM 669 N NH2 . ARG A 1 81 ? 12.976 -0.022 -0.229 1.00 82.63 81 A 1 ATOM 670 N N . LYS A 1 82 ? 11.248 1.054 6.296 1.00 97.62 82 A 1 ATOM 671 C CA . LYS A 1 82 ? 12.018 -0.090 6.813 1.00 96.84 82 A 1 ATOM 672 C C . LYS A 1 82 ? 11.107 -1.183 7.375 1.00 96.93 82 A 1 ATOM 673 O O . LYS A 1 82 ? 11.409 -2.360 7.186 1.00 95.61 82 A 1 ATOM 674 C CB . LYS A 1 82 ? 12.997 0.424 7.873 1.00 95.22 82 A 1 ATOM 675 C CG . LYS A 1 82 ? 13.875 -0.675 8.486 1.00 85.56 82 A 1 ATOM 676 C CD . LYS A 1 82 ? 14.725 -0.067 9.606 1.00 84.66 82 A 1 ATOM 677 C CE . LYS A 1 82 ? 15.505 -1.152 10.351 1.00 74.73 82 A 1 ATOM 678 N NZ . LYS A 1 82 ? 16.147 -0.587 11.566 1.00 67.53 82 A 1 ATOM 679 N N . PHE A 1 83 ? 10.016 -0.801 8.030 1.00 97.42 83 A 1 ATOM 680 C CA . PHE A 1 83 ? 9.095 -1.729 8.693 1.00 96.95 83 A 1 ATOM 681 C C . PHE A 1 83 ? 7.901 -2.125 7.823 1.00 96.97 83 A 1 ATOM 682 O O . PHE A 1 83 ? 7.421 -3.252 7.931 1.00 95.91 83 A 1 ATOM 683 C CB . PHE A 1 83 ? 8.642 -1.106 10.019 1.00 96.31 83 A 1 ATOM 684 C CG . PHE A 1 83 ? 9.792 -0.796 10.959 1.00 94.25 83 A 1 ATOM 685 C CD1 . PHE A 1 83 ? 10.549 -1.842 11.519 1.00 91.10 83 A 1 ATOM 686 C CD2 . PHE A 1 83 ? 10.109 0.540 11.268 1.00 91.75 83 A 1 ATOM 687 C CE1 . PHE A 1 83 ? 11.617 -1.554 12.385 1.00 88.43 83 A 1 ATOM 688 C CE2 . PHE A 1 83 ? 11.177 0.825 12.135 1.00 89.51 83 A 1 ATOM 689 C CZ . PHE A 1 83 ? 11.930 -0.223 12.696 1.00 88.44 83 A 1 ATOM 690 N N . TYR A 1 84 ? 7.444 -1.243 6.923 1.00 97.74 84 A 1 ATOM 691 C CA . TYR A 1 84 ? 6.238 -1.424 6.111 1.00 97.81 84 A 1 ATOM 692 C C . TYR A 1 84 ? 6.530 -1.723 4.633 1.00 97.39 84 A 1 ATOM 693 O O . TYR A 1 84 ? 5.897 -1.201 3.715 1.00 95.58 84 A 1 ATOM 694 C CB . TYR A 1 84 ? 5.281 -0.259 6.345 1.00 97.81 84 A 1 ATOM 695 C CG . TYR A 1 84 ? 4.444 -0.469 7.587 1.00 98.11 84 A 1 ATOM 696 C CD1 . TYR A 1 84 ? 3.166 -1.049 7.462 1.00 97.23 84 A 1 ATOM 697 C CD2 . TYR A 1 84 ? 4.938 -0.119 8.859 1.00 97.34 84 A 1 ATOM 698 C CE1 . TYR A 1 84 ? 2.365 -1.237 8.594 1.00 96.88 84 A 1 ATOM 699 C CE2 . TYR A 1 84 ? 4.139 -0.314 9.998 1.00 96.93 84 A 1 ATOM 700 C CZ . TYR A 1 84 ? 2.842 -0.860 9.861 1.00 97.66 84 A 1 ATOM 701 O OH . TYR A 1 84 ? 2.044 -1.013 10.946 1.00 97.11 84 A 1 ATOM 702 N N . ARG A 1 85 ? 7.496 -2.614 4.403 1.00 98.04 85 A 1 ATOM 703 C CA . ARG A 1 85 ? 7.761 -3.214 3.088 1.00 97.86 85 A 1 ATOM 704 C C . ARG A 1 85 ? 8.020 -4.709 3.221 1.00 98.03 85 A 1 ATOM 705 O O . ARG A 1 85 ? 8.481 -5.174 4.264 1.00 97.34 85 A 1 ATOM 706 C CB . ARG A 1 85 ? 8.924 -2.498 2.384 1.00 96.25 85 A 1 ATOM 707 C CG . ARG A 1 85 ? 10.288 -2.807 3.016 1.00 94.35 85 A 1 ATOM 708 C CD . ARG A 1 85 ? 11.386 -1.993 2.327 1.00 92.99 85 A 1 ATOM 709 N NE . ARG A 1 85 ? 12.718 -2.359 2.844 1.00 87.34 85 A 1 ATOM 710 C CZ . ARG A 1 85 ? 13.621 -3.106 2.238 1.00 83.61 85 A 1 ATOM 711 N NH1 . ARG A 1 85 ? 13.416 -3.608 1.050 1.00 75.56 85 A 1 ATOM 712 N NH2 . ARG A 1 85 ? 14.754 -3.369 2.827 1.00 75.77 85 A 1 ATOM 713 N N . TYR A 1 86 ? 7.807 -5.426 2.134 1.00 98.22 86 A 1 ATOM 714 C CA . TYR A 1 86 ? 8.214 -6.819 1.973 1.00 98.18 86 A 1 ATOM 715 C C . TYR A 1 86 ? 9.406 -6.915 1.010 1.00 98.04 86 A 1 ATOM 716 O O . TYR A 1 86 ? 9.838 -5.920 0.413 1.00 97.43 86 A 1 ATOM 717 C CB . TYR A 1 86 ? 7.000 -7.667 1.562 1.00 98.18 86 A 1 ATOM 718 C CG . TYR A 1 86 ? 5.922 -7.710 2.634 1.00 98.31 86 A 1 ATOM 719 C CD1 . TYR A 1 86 ? 5.866 -8.786 3.544 1.00 97.74 86 A 1 ATOM 720 C CD2 . TYR A 1 86 ? 4.999 -6.651 2.751 1.00 97.86 86 A 1 ATOM 721 C CE1 . TYR A 1 86 ? 4.894 -8.805 4.564 1.00 97.54 86 A 1 ATOM 722 C CE2 . TYR A 1 86 ? 4.030 -6.663 3.775 1.00 97.69 86 A 1 ATOM 723 C CZ . TYR A 1 86 ? 3.978 -7.739 4.681 1.00 97.90 86 A 1 ATOM 724 O OH . TYR A 1 86 ? 3.044 -7.746 5.671 1.00 97.41 86 A 1 ATOM 725 N N . ASP A 1 87 ? 9.976 -8.107 0.892 1.00 97.92 87 A 1 ATOM 726 C CA . ASP A 1 87 ? 11.102 -8.400 -0.001 1.00 97.55 87 A 1 ATOM 727 C C . ASP A 1 87 ? 10.729 -8.301 -1.490 1.00 97.91 87 A 1 ATOM 728 O O . ASP A 1 87 ? 11.583 -7.987 -2.318 1.00 97.05 87 A 1 ATOM 729 C CB . ASP A 1 87 ? 11.676 -9.788 0.347 1.00 96.35 87 A 1 ATOM 730 C CG . ASP A 1 87 ? 10.672 -10.953 0.225 1.00 93.16 87 A 1 ATOM 731 O OD1 . ASP A 1 87 ? 9.466 -10.781 0.515 1.00 89.47 87 A 1 ATOM 732 O OD2 . ASP A 1 87 ? 11.094 -12.087 -0.087 1.00 89.19 87 A 1 ATOM 733 N N . ARG A 1 88 ? 9.450 -8.496 -1.812 1.00 98.12 88 A 1 ATOM 734 C CA . ARG A 1 88 ? 8.904 -8.373 -3.169 1.00 98.17 88 A 1 ATOM 735 C C . ARG A 1 88 ? 7.926 -7.197 -3.265 1.00 98.49 88 A 1 ATOM 736 O O . ARG A 1 88 ? 6.980 -7.147 -2.472 1.00 98.34 88 A 1 ATOM 737 C CB . ARG A 1 88 ? 8.235 -9.697 -3.562 1.00 97.37 88 A 1 ATOM 738 C CG . ARG A 1 88 ? 9.259 -10.803 -3.863 1.00 95.58 88 A 1 ATOM 739 C CD . ARG A 1 88 ? 8.675 -12.208 -3.706 1.00 94.83 88 A 1 ATOM 740 N NE . ARG A 1 88 ? 7.486 -12.464 -4.536 1.00 92.92 88 A 1 ATOM 741 C CZ . ARG A 1 88 ? 6.609 -13.441 -4.324 1.00 94.68 88 A 1 ATOM 742 N NH1 . ARG A 1 88 ? 6.712 -14.278 -3.344 1.00 88.18 88 A 1 ATOM 743 N NH2 . ARG A 1 88 ? 5.597 -13.615 -5.103 1.00 88.31 88 A 1 ATOM 744 N N . PRO A 1 89 ? 8.084 -6.286 -4.239 1.00 98.59 89 A 1 ATOM 745 C CA . PRO A 1 89 ? 7.171 -5.155 -4.433 1.00 98.65 89 A 1 ATOM 746 C C . PRO A 1 89 ? 5.692 -5.557 -4.529 1.00 98.79 89 A 1 ATOM 747 O O . PRO A 1 89 ? 4.844 -4.924 -3.908 1.00 98.72 89 A 1 ATOM 748 C CB . PRO A 1 89 ? 7.642 -4.475 -5.723 1.00 98.34 89 A 1 ATOM 749 C CG . PRO A 1 89 ? 9.135 -4.772 -5.754 1.00 96.93 89 A 1 ATOM 750 C CD . PRO A 1 89 ? 9.216 -6.173 -5.162 1.00 98.30 89 A 1 ATOM 751 N N . ALA A 1 90 ? 5.393 -6.639 -5.245 1.00 98.68 90 A 1 ATOM 752 C CA . ALA A 1 90 ? 4.028 -7.138 -5.395 1.00 98.75 90 A 1 ATOM 753 C C . ALA A 1 90 ? 3.369 -7.486 -4.045 1.00 98.79 90 A 1 ATOM 754 O O . ALA A 1 90 ? 2.213 -7.130 -3.824 1.00 98.73 90 A 1 ATOM 755 C CB . ALA A 1 90 ? 4.065 -8.345 -6.337 1.00 98.65 90 A 1 ATOM 756 N N . LEU A 1 91 ? 4.106 -8.097 -3.112 1.00 98.74 91 A 1 ATOM 757 C CA . LEU A 1 91 ? 3.588 -8.404 -1.772 1.00 98.77 91 A 1 ATOM 758 C C . LEU A 1 91 ? 3.310 -7.136 -0.963 1.00 98.82 91 A 1 ATOM 759 O O . LEU A 1 91 ? 2.277 -7.048 -0.302 1.00 98.70 91 A 1 ATOM 760 C CB . LEU A 1 91 ? 4.568 -9.301 -0.996 1.00 98.60 91 A 1 ATOM 761 C CG . LEU A 1 91 ? 4.773 -10.707 -1.575 1.00 97.57 91 A 1 ATOM 762 C CD1 . LEU A 1 91 ? 5.774 -11.460 -0.697 1.00 96.92 91 A 1 ATOM 763 C CD2 . LEU A 1 91 ? 3.479 -11.518 -1.628 1.00 96.91 91 A 1 ATOM 764 N N . THR A 1 92 ? 4.191 -6.136 -1.058 1.00 98.76 92 A 1 ATOM 765 C CA . THR A 1 92 ? 3.958 -4.834 -0.417 1.00 98.78 92 A 1 ATOM 766 C C . THR A 1 92 ? 2.689 -4.178 -0.955 1.00 98.82 92 A 1 ATOM 767 O O . THR A 1 92 ? 1.888 -3.671 -0.175 1.00 98.75 92 A 1 ATOM 768 C CB . THR A 1 92 ? 5.144 -3.886 -0.620 1.00 98.65 92 A 1 ATOM 769 O OG1 . THR A 1 92 ? 6.338 -4.469 -0.152 1.00 98.11 92 A 1 ATOM 770 C CG2 . THR A 1 92 ? 4.959 -2.573 0.146 1.00 98.23 92 A 1 ATOM 771 N N . LEU A 1 93 ? 2.460 -4.209 -2.266 1.00 98.78 93 A 1 ATOM 772 C CA . LEU A 1 93 ? 1.265 -3.622 -2.872 1.00 98.80 93 A 1 ATOM 773 C C . LEU A 1 93 ? -0.016 -4.384 -2.504 1.00 98.77 93 A 1 ATOM 774 O O . LEU A 1 93 ? -1.050 -3.748 -2.317 1.00 98.67 93 A 1 ATOM 775 C CB . LEU A 1 93 ? 1.430 -3.528 -4.395 1.00 98.79 93 A 1 ATOM 776 C CG . LEU A 1 93 ? 2.547 -2.579 -4.869 1.00 98.49 93 A 1 ATOM 777 C CD1 . LEU A 1 93 ? 2.532 -2.535 -6.396 1.00 98.06 93 A 1 ATOM 778 C CD2 . LEU A 1 93 ? 2.403 -1.149 -4.343 1.00 98.11 93 A 1 ATOM 779 N N . ILE A 1 94 ? 0.046 -5.707 -2.346 1.00 98.81 94 A 1 ATOM 780 C CA . ILE A 1 94 ? -1.080 -6.491 -1.817 1.00 98.78 94 A 1 ATOM 781 C C . ILE A 1 94 ? -1.391 -6.077 -0.377 1.00 98.79 94 A 1 ATOM 782 O O . ILE A 1 94 ? -2.538 -5.750 -0.085 1.00 98.70 94 A 1 ATOM 783 C CB . ILE A 1 94 ? -0.813 -8.009 -1.942 1.00 98.62 94 A 1 ATOM 784 C CG1 . ILE A 1 94 ? -0.846 -8.474 -3.414 1.00 97.27 94 A 1 ATOM 785 C CG2 . ILE A 1 94 ? -1.800 -8.847 -1.109 1.00 97.84 94 A 1 ATOM 786 C CD1 . ILE A 1 94 ? -2.202 -8.392 -4.127 1.00 94.45 94 A 1 ATOM 787 N N . ALA A 1 95 ? -0.387 -6.021 0.500 1.00 98.78 95 A 1 ATOM 788 C CA . ALA A 1 95 ? -0.577 -5.594 1.885 1.00 98.76 95 A 1 ATOM 789 C C . ALA A 1 95 ? -1.161 -4.173 1.968 1.00 98.74 95 A 1 ATOM 790 O O . ALA A 1 95 ? -2.141 -3.936 2.669 1.00 98.65 95 A 1 ATOM 791 C CB . ALA A 1 95 ? 0.769 -5.696 2.612 1.00 98.71 95 A 1 ATOM 792 N N . ALA A 1 96 ? -0.616 -3.246 1.182 1.00 98.84 96 A 1 ATOM 793 C CA . ALA A 1 96 ? -1.110 -1.876 1.089 1.00 98.83 96 A 1 ATOM 794 C C . ALA A 1 96 ? -2.547 -1.793 0.548 1.00 98.79 96 A 1 ATOM 795 O O . ALA A 1 96 ? -3.325 -0.944 0.980 1.00 98.65 96 A 1 ATOM 796 C CB . ALA A 1 96 ? -0.139 -1.096 0.196 1.00 98.78 96 A 1 ATOM 797 N N . THR A 1 97 ? -2.912 -2.670 -0.386 1.00 98.71 97 A 1 ATOM 798 C CA . THR A 1 97 ? -4.277 -2.751 -0.926 1.00 98.58 97 A 1 ATOM 799 C C . THR A 1 97 ? -5.258 -3.226 0.139 1.00 98.60 97 A 1 ATOM 800 O O . THR A 1 97 ? -6.286 -2.584 0.318 1.00 98.36 97 A 1 ATOM 801 C CB . THR A 1 97 ? -4.356 -3.673 -2.151 1.00 98.29 97 A 1 ATOM 802 O OG1 . THR A 1 97 ? -3.517 -3.176 -3.165 1.00 96.69 97 A 1 ATOM 803 C CG2 . THR A 1 97 ? -5.762 -3.751 -2.748 1.00 96.76 97 A 1 ATOM 804 N N . LEU A 1 98 ? -4.929 -4.294 0.862 1.00 98.59 98 A 1 ATOM 805 C CA . LEU A 1 98 ? -5.754 -4.806 1.963 1.00 98.54 98 A 1 ATOM 806 C C . LEU A 1 98 ? -5.964 -3.733 3.035 1.00 98.53 98 A 1 ATOM 807 O O . LEU A 1 98 ? -7.098 -3.451 3.407 1.00 98.38 98 A 1 ATOM 808 C CB . LEU A 1 98 ? -5.086 -6.055 2.566 1.00 98.55 98 A 1 ATOM 809 C CG . LEU A 1 98 ? -5.056 -7.281 1.638 1.00 98.14 98 A 1 ATOM 810 C CD1 . LEU A 1 98 ? -4.168 -8.360 2.256 1.00 97.58 98 A 1 ATOM 811 C CD2 . LEU A 1 98 ? -6.445 -7.866 1.402 1.00 97.58 98 A 1 ATOM 812 N N . TYR A 1 99 ? -4.886 -3.066 3.432 1.00 98.65 99 A 1 ATOM 813 C CA . TYR A 1 99 ? -4.936 -1.959 4.381 1.00 98.62 99 A 1 ATOM 814 C C . TYR A 1 99 ? -5.818 -0.802 3.881 1.00 98.58 99 A 1 ATOM 815 O O . TYR A 1 99 ? -6.707 -0.329 4.577 1.00 98.32 99 A 1 ATOM 816 C CB . TYR A 1 99 ? -3.501 -1.491 4.639 1.00 98.55 99 A 1 ATOM 817 C CG . TYR A 1 99 ? -3.423 -0.472 5.751 1.00 98.58 99 A 1 ATOM 818 C CD1 . TYR A 1 99 ? -3.487 0.907 5.469 1.00 98.23 99 A 1 ATOM 819 C CD2 . TYR A 1 99 ? -3.345 -0.921 7.080 1.00 98.30 99 A 1 ATOM 820 C CE1 . TYR A 1 99 ? -3.490 1.833 6.525 1.00 98.02 99 A 1 ATOM 821 C CE2 . TYR A 1 99 ? -3.348 -0.001 8.136 1.00 98.04 99 A 1 ATOM 822 C CZ . TYR A 1 99 ? -3.431 1.376 7.862 1.00 98.10 99 A 1 ATOM 823 O OH . TYR A 1 99 ? -3.465 2.254 8.895 1.00 97.48 99 A 1 ATOM 824 N N . SER A 1 100 ? -5.618 -0.363 2.647 1.00 98.65 100 A 1 ATOM 825 C CA . SER A 1 100 ? -6.424 0.714 2.057 1.00 98.61 100 A 1 ATOM 826 C C . SER A 1 100 ? -7.904 0.341 1.931 1.00 98.58 100 A 1 ATOM 827 O O . SER A 1 100 ? -8.749 1.230 2.006 1.00 98.30 100 A 1 ATOM 828 C CB . SER A 1 100 ? -5.867 1.091 0.682 1.00 98.34 100 A 1 ATOM 829 O OG . SER A 1 100 ? -6.616 2.151 0.105 1.00 91.95 100 A 1 ATOM 830 N N . HIS A 1 101 ? -8.224 -0.932 1.705 1.00 98.50 101 A 1 ATOM 831 C CA . HIS A 1 101 ? -9.601 -1.427 1.634 1.00 98.35 101 A 1 ATOM 832 C C . HIS A 1 101 ? -10.286 -1.343 3.001 1.00 98.43 101 A 1 ATOM 833 O O . HIS A 1 101 ? -11.363 -0.767 3.099 1.00 98.15 101 A 1 ATOM 834 C CB . HIS A 1 101 ? -9.601 -2.856 1.077 1.00 97.84 101 A 1 ATOM 835 C CG . HIS A 1 101 ? -10.597 -3.102 -0.018 1.00 89.72 101 A 1 ATOM 836 N ND1 . HIS A 1 101 ? -10.972 -4.348 -0.470 1.00 75.87 101 A 1 ATOM 837 C CD2 . HIS A 1 101 ? -11.262 -2.192 -0.791 1.00 76.38 101 A 1 ATOM 838 C CE1 . HIS A 1 101 ? -11.837 -4.182 -1.478 1.00 76.65 101 A 1 ATOM 839 N NE2 . HIS A 1 101 ? -12.040 -2.886 -1.714 1.00 81.25 101 A 1 ATOM 840 N N . GLU A 1 102 ? -9.613 -1.781 4.058 1.00 98.06 102 A 1 ATOM 841 C CA . GLU A 1 102 ? -10.100 -1.635 5.435 1.00 97.74 102 A 1 ATOM 842 C C . GLU A 1 102 ? -10.359 -0.162 5.796 1.00 97.99 102 A 1 ATOM 843 O O . GLU A 1 102 ? -11.398 0.194 6.356 1.00 97.55 102 A 1 ATOM 844 C CB . GLU A 1 102 ? -9.050 -2.254 6.363 1.00 96.99 102 A 1 ATOM 845 C CG . GLU A 1 102 ? -9.487 -2.261 7.828 1.00 85.34 102 A 1 ATOM 846 C CD . GLU A 1 102 ? -8.381 -2.764 8.768 1.00 82.89 102 A 1 ATOM 847 O OE1 . GLU A 1 102 ? -8.594 -2.642 9.992 1.00 72.87 102 A 1 ATOM 848 O OE2 . GLU A 1 102 ? -7.339 -3.238 8.259 1.00 74.75 102 A 1 ATOM 849 N N . ARG A 1 103 ? -9.461 0.737 5.409 1.00 98.13 103 A 1 ATOM 850 C CA . ARG A 1 103 ? -9.640 2.189 5.600 1.00 98.10 103 A 1 ATOM 851 C C . ARG A 1 103 ? -10.849 2.736 4.837 1.00 98.15 103 A 1 ATOM 852 O O . ARG A 1 103 ? -11.528 3.631 5.333 1.00 97.59 103 A 1 ATOM 853 C CB . ARG A 1 103 ? -8.365 2.937 5.172 1.00 97.81 103 A 1 ATOM 854 C CG . ARG A 1 103 ? -7.135 2.615 6.021 1.00 95.72 103 A 1 ATOM 855 C CD . ARG A 1 103 ? -7.243 3.086 7.467 1.00 93.88 103 A 1 ATOM 856 N NE . ARG A 1 103 ? -7.265 4.557 7.548 1.00 92.21 103 A 1 ATOM 857 C CZ . ARG A 1 103 ? -7.339 5.264 8.657 1.00 93.49 103 A 1 ATOM 858 N NH1 . ARG A 1 103 ? -7.474 4.717 9.830 1.00 86.05 103 A 1 ATOM 859 N NH2 . ARG A 1 103 ? -7.270 6.560 8.605 1.00 87.56 103 A 1 ATOM 860 N N . PHE A 1 104 ? -11.103 2.219 3.647 1.00 97.96 104 A 1 ATOM 861 C CA . PHE A 1 104 ? -12.275 2.577 2.855 1.00 97.82 104 A 1 ATOM 862 C C . PHE A 1 104 ? -13.569 2.093 3.517 1.00 97.93 104 A 1 ATOM 863 O O . PHE A 1 104 ? -14.484 2.899 3.700 1.00 97.80 104 A 1 ATOM 864 C CB . PHE A 1 104 ? -12.115 2.029 1.431 1.00 97.34 104 A 1 ATOM 865 C CG . PHE A 1 104 ? -13.322 2.276 0.551 1.00 94.45 104 A 1 ATOM 866 C CD1 . PHE A 1 104 ? -14.313 1.285 0.417 1.00 91.62 104 A 1 ATOM 867 C CD2 . PHE A 1 104 ? -13.481 3.511 -0.103 1.00 92.14 104 A 1 ATOM 868 C CE1 . PHE A 1 104 ? -15.456 1.532 -0.364 1.00 88.91 104 A 1 ATOM 869 C CE2 . PHE A 1 104 ? -14.621 3.758 -0.882 1.00 89.53 104 A 1 ATOM 870 C CZ . PHE A 1 104 ? -15.613 2.770 -1.011 1.00 88.02 104 A 1 ATOM 871 N N . ASP A 1 105 ? -13.618 0.839 3.932 1.00 98.26 105 A 1 ATOM 872 C CA . ASP A 1 105 ? -14.791 0.232 4.571 1.00 98.27 105 A 1 ATOM 873 C C . ASP A 1 105 ? -15.148 0.931 5.894 1.00 98.22 105 A 1 ATOM 874 O O . ASP A 1 105 ? -16.321 1.127 6.207 1.00 97.79 105 A 1 ATOM 875 C CB . ASP A 1 105 ? -14.534 -1.272 4.781 1.00 98.12 105 A 1 ATOM 876 C CG . ASP A 1 105 ? -14.465 -2.078 3.473 1.00 96.99 105 A 1 ATOM 877 O OD1 . ASP A 1 105 ? -14.982 -1.594 2.436 1.00 95.02 105 A 1 ATOM 878 O OD2 . ASP A 1 105 ? -13.920 -3.202 3.513 1.00 94.93 105 A 1 ATOM 879 N N . ASN A 1 106 ? -14.139 1.428 6.609 1.00 98.01 106 A 1 ATOM 880 C CA . ASN A 1 106 ? -14.295 2.215 7.834 1.00 97.53 106 A 1 ATOM 881 C C . ASN A 1 106 ? -14.556 3.721 7.590 1.00 97.71 106 A 1 ATOM 882 O O . ASN A 1 106 ? -14.587 4.508 8.540 1.00 96.83 106 A 1 ATOM 883 C CB . ASN A 1 106 ? -13.063 1.958 8.721 1.00 96.56 106 A 1 ATOM 884 C CG . ASN A 1 106 ? -13.012 0.534 9.251 1.00 92.41 106 A 1 ATOM 885 O OD1 . ASN A 1 106 ? -14.023 -0.113 9.450 1.00 85.58 106 A 1 ATOM 886 N ND2 . ASN A 1 106 ? -11.842 0.017 9.534 1.00 84.58 106 A 1 ATOM 887 N N . GLY A 1 107 ? -14.694 4.170 6.344 1.00 98.09 107 A 1 ATOM 888 C CA . GLY A 1 107 ? -14.908 5.590 6.012 1.00 98.07 107 A 1 ATOM 889 C C . GLY A 1 107 ? -13.710 6.503 6.303 1.00 98.16 107 A 1 ATOM 890 O O . GLY A 1 107 ? -13.855 7.724 6.395 1.00 97.28 107 A 1 ATOM 891 N N . GLN A 1 108 ? -12.516 5.945 6.440 1.00 98.09 108 A 1 ATOM 892 C CA . GLN A 1 108 ? -11.297 6.632 6.882 1.00 97.99 108 A 1 ATOM 893 C C . GLN A 1 108 ? -10.288 6.887 5.748 1.00 98.00 108 A 1 ATOM 894 O O . GLN A 1 108 ? -9.132 7.209 6.007 1.00 97.21 108 A 1 ATOM 895 C CB . GLN A 1 108 ? -10.682 5.829 8.030 1.00 97.48 108 A 1 ATOM 896 C CG . GLN A 1 108 ? -11.499 5.907 9.330 1.00 95.35 108 A 1 ATOM 897 C CD . GLN A 1 108 ? -10.867 5.062 10.434 1.00 92.30 108 A 1 ATOM 898 O OE1 . GLN A 1 108 ? -10.098 4.142 10.189 1.00 83.31 108 A 1 ATOM 899 N NE2 . GLN A 1 108 ? -11.134 5.351 11.688 1.00 79.77 108 A 1 ATOM 900 N N . ILE A 1 109 ? -10.712 6.797 4.492 1.00 97.72 109 A 1 ATOM 901 C CA . ILE A 1 109 ? -9.829 6.843 3.308 1.00 97.30 109 A 1 ATOM 902 C C . ILE A 1 109 ? -8.984 8.129 3.199 1.00 97.51 109 A 1 ATOM 903 O O . ILE A 1 109 ? -7.902 8.113 2.613 1.00 96.50 109 A 1 ATOM 904 C CB . ILE A 1 109 ? -10.669 6.587 2.040 1.00 95.48 109 A 1 ATOM 905 C CG1 . ILE A 1 109 ? -9.753 6.233 0.851 1.00 81.53 109 A 1 ATOM 906 C CG2 . ILE A 1 109 ? -11.606 7.767 1.710 1.00 79.16 109 A 1 ATOM 907 C CD1 . ILE A 1 109 ? -10.505 5.722 -0.382 1.00 73.48 109 A 1 ATOM 908 N N . TYR A 1 110 ? -9.447 9.243 3.782 1.00 97.47 110 A 1 ATOM 909 C CA . TYR A 1 110 ? -8.729 10.526 3.760 1.00 97.19 110 A 1 ATOM 910 C C . TYR A 1 110 ? -8.163 10.940 5.123 1.00 97.43 110 A 1 ATOM 911 O O . TYR A 1 110 ? -7.576 12.019 5.233 1.00 96.75 110 A 1 ATOM 912 C CB . TYR A 1 110 ? -9.640 11.615 3.180 1.00 96.40 110 A 1 ATOM 913 C CG . TYR A 1 110 ? -10.144 11.337 1.776 1.00 96.08 110 A 1 ATOM 914 C CD1 . TYR A 1 110 ? -9.232 11.074 0.735 1.00 94.09 110 A 1 ATOM 915 C CD2 . TYR A 1 110 ? -11.528 11.328 1.512 1.00 94.22 110 A 1 ATOM 916 C CE1 . TYR A 1 110 ? -9.700 10.798 -0.564 1.00 93.12 110 A 1 ATOM 917 C CE2 . TYR A 1 110 ? -11.999 11.058 0.213 1.00 93.23 110 A 1 ATOM 918 C CZ . TYR A 1 110 ? -11.085 10.791 -0.825 1.00 93.44 110 A 1 ATOM 919 O OH . TYR A 1 110 ? -11.536 10.521 -2.079 1.00 91.09 110 A 1 ATOM 920 N N . SER A 1 111 ? -8.344 10.129 6.152 1.00 97.73 111 A 1 ATOM 921 C CA . SER A 1 111 ? -7.783 10.414 7.474 1.00 97.99 111 A 1 ATOM 922 C C . SER A 1 111 ? -6.276 10.160 7.476 1.00 98.18 111 A 1 ATOM 923 O O . SER A 1 111 ? -5.833 9.094 7.047 1.00 98.02 111 A 1 ATOM 924 C CB . SER A 1 111 ? -8.471 9.580 8.554 1.00 97.72 111 A 1 ATOM 925 O OG . SER A 1 111 ? -7.892 9.866 9.810 1.00 94.48 111 A 1 ATOM 926 N N . ALA A 1 112 ? -5.517 11.134 7.972 1.00 97.84 112 A 1 ATOM 927 C CA . ALA A 1 112 ? -4.072 10.994 8.159 1.00 97.87 112 A 1 ATOM 928 C C . ALA A 1 112 ? -3.724 10.101 9.359 1.00 98.07 112 A 1 ATOM 929 O O . ALA A 1 112 ? -2.627 9.553 9.405 1.00 97.58 112 A 1 ATOM 930 C CB . ALA A 1 112 ? -3.467 12.394 8.312 1.00 97.34 112 A 1 ATOM 931 N N . TRP A 1 113 ? -4.654 9.938 10.306 1.00 98.17 113 A 1 ATOM 932 C CA . TRP A 1 113 ? -4.460 9.160 11.522 1.00 98.23 113 A 1 ATOM 933 C C . TRP A 1 113 ? -4.803 7.687 11.319 1.00 98.31 113 A 1 ATOM 934 O O . TRP A 1 113 ? -5.833 7.338 10.728 1.00 97.80 113 A 1 ATOM 935 C CB . TRP A 1 113 ? -5.262 9.782 12.665 1.00 97.73 113 A 1 ATOM 936 C CG . TRP A 1 113 ? -4.748 11.131 13.063 1.00 94.27 113 A 1 ATOM 937 C CD1 . TRP A 1 113 ? -5.300 12.323 12.755 1.00 87.83 113 A 1 ATOM 938 C CD2 . TRP A 1 113 ? -3.528 11.433 13.809 1.00 91.87 113 A 1 ATOM 939 N NE1 . TRP A 1 113 ? -4.518 13.344 13.258 1.00 84.29 113 A 1 ATOM 940 C CE2 . TRP A 1 113 ? -3.411 12.849 13.921 1.00 89.22 113 A 1 ATOM 941 C CE3 . TRP A 1 113 ? -2.511 10.652 14.396 1.00 83.01 113 A 1 ATOM 942 C CZ2 . TRP A 1 113 ? -2.343 13.461 14.592 1.00 84.88 113 A 1 ATOM 943 C CZ3 . TRP A 1 113 ? -1.434 11.261 15.072 1.00 81.85 113 A 1 ATOM 944 C CH2 . TRP A 1 113 ? -1.352 12.660 15.174 1.00 80.25 113 A 1 ATOM 945 N N . HIS A 1 114 ? -3.945 6.838 11.854 1.00 98.40 114 A 1 ATOM 946 C CA . HIS A 1 114 ? -4.022 5.387 11.775 1.00 98.41 114 A 1 ATOM 947 C C . HIS A 1 114 ? -3.788 4.793 13.163 1.00 98.33 114 A 1 ATOM 948 O O . HIS A 1 114 ? -2.857 5.199 13.853 1.00 97.65 114 A 1 ATOM 949 C CB . HIS A 1 114 ? -2.964 4.877 10.789 1.00 98.24 114 A 1 ATOM 950 C CG . HIS A 1 114 ? -3.107 5.459 9.406 1.00 98.39 114 A 1 ATOM 951 N ND1 . HIS A 1 114 ? -3.765 4.877 8.347 1.00 96.27 114 A 1 ATOM 952 C CD2 . HIS A 1 114 ? -2.657 6.675 8.983 1.00 96.58 114 A 1 ATOM 953 C CE1 . HIS A 1 114 ? -3.712 5.728 7.312 1.00 96.11 114 A 1 ATOM 954 N NE2 . HIS A 1 114 ? -3.047 6.840 7.659 1.00 96.35 114 A 1 ATOM 955 N N . LEU A 1 115 ? -4.609 3.816 13.528 1.00 97.80 115 A 1 ATOM 956 C CA . LEU A 1 115 ? -4.365 2.966 14.687 1.00 97.46 115 A 1 ATOM 957 C C . LEU A 1 115 ? -3.822 1.637 14.163 1.00 97.63 115 A 1 ATOM 958 O O . LEU A 1 115 ? -4.513 0.932 13.425 1.00 97.04 115 A 1 ATOM 959 C CB . LEU A 1 115 ? -5.656 2.809 15.505 1.00 96.73 115 A 1 ATOM 960 C CG . LEU A 1 115 ? -6.190 4.122 16.109 1.00 94.45 115 A 1 ATOM 961 C CD1 . LEU A 1 115 ? -7.499 3.856 16.851 1.00 91.99 115 A 1 ATOM 962 C CD2 . LEU A 1 115 ? -5.204 4.778 17.081 1.00 92.23 115 A 1 ATOM 963 N N . LEU A 1 116 ? -2.562 1.355 14.455 1.00 97.50 116 A 1 ATOM 964 C CA . LEU A 1 116 ? -1.875 0.152 13.993 1.00 97.69 116 A 1 ATOM 965 C C . LEU A 1 116 ? -1.850 -0.860 15.141 1.00 97.66 116 A 1 ATOM 966 O O . LEU A 1 116 ? -1.256 -0.554 16.178 1.00 97.44 116 A 1 ATOM 967 C CB . LEU A 1 116 ? -0.460 0.498 13.506 1.00 97.95 116 A 1 ATOM 968 C CG . LEU A 1 116 ? -0.374 1.612 12.447 1.00 97.74 116 A 1 ATOM 969 C CD1 . LEU A 1 116 ? 1.094 1.861 12.084 1.00 97.38 116 A 1 ATOM 970 C CD2 . LEU A 1 116 ? -1.138 1.264 11.167 1.00 97.39 116 A 1 ATOM 971 N N . PRO A 1 117 ? -2.464 -2.035 14.982 1.00 97.56 117 A 1 ATOM 972 C CA . PRO A 1 117 ? -2.579 -2.993 16.069 1.00 97.28 117 A 1 ATOM 973 C C . PRO A 1 117 ? -1.203 -3.484 16.523 1.00 97.74 117 A 1 ATOM 974 O O . PRO A 1 117 ? -0.294 -3.684 15.707 1.00 97.59 117 A 1 ATOM 975 C CB . PRO A 1 117 ? -3.466 -4.125 15.537 1.00 96.44 117 A 1 ATOM 976 C CG . PRO A 1 117 ? -3.251 -4.062 14.023 1.00 94.68 117 A 1 ATOM 977 C CD . PRO A 1 117 ? -3.073 -2.572 13.766 1.00 96.93 117 A 1 ATOM 978 N N . VAL A 1 118 ? -1.070 -3.700 17.830 1.00 97.80 118 A 1 ATOM 979 C CA . VAL A 1 118 ? 0.107 -4.309 18.463 1.00 97.97 118 A 1 ATOM 980 C C . VAL A 1 118 ? -0.319 -5.549 19.259 1.00 97.99 118 A 1 ATOM 981 O O . VAL A 1 118 ? -1.494 -5.674 19.601 1.00 97.13 118 A 1 ATOM 982 C CB . VAL A 1 118 ? 0.879 -3.296 19.331 1.00 97.01 118 A 1 ATOM 983 C CG1 . VAL A 1 118 ? 1.428 -2.146 18.479 1.00 90.93 118 A 1 ATOM 984 C CG2 . VAL A 1 118 ? 0.049 -2.711 20.478 1.00 91.03 118 A 1 ATOM 985 N N . PRO A 1 119 ? 0.578 -6.502 19.536 1.00 97.50 119 A 1 ATOM 986 C CA . PRO A 1 119 ? 0.266 -7.605 20.437 1.00 97.18 119 A 1 ATOM 987 C C . PRO A 1 119 ? -0.058 -7.092 21.850 1.00 97.24 119 A 1 ATOM 988 O O . PRO A 1 119 ? 0.651 -6.223 22.354 1.00 96.52 119 A 1 ATOM 989 C CB . PRO A 1 119 ? 1.508 -8.509 20.430 1.00 96.73 119 A 1 ATOM 990 C CG . PRO A 1 119 ? 2.248 -8.125 19.150 1.00 96.00 119 A 1 ATOM 991 C CD . PRO A 1 119 ? 1.922 -6.642 19.007 1.00 97.36 119 A 1 ATOM 992 N N . GLU A 1 120 ? -1.066 -7.679 22.504 1.00 96.54 120 A 1 ATOM 993 C CA . GLU A 1 120 ? -1.476 -7.301 23.873 1.00 96.08 120 A 1 ATOM 994 C C . GLU A 1 120 ? -0.328 -7.390 24.900 1.00 96.32 120 A 1 ATOM 995 O O . GLU A 1 120 ? -0.296 -6.659 25.880 1.00 94.75 120 A 1 ATOM 996 C CB . GLU A 1 120 ? -2.617 -8.226 24.348 1.00 94.79 120 A 1 ATOM 997 C CG . GLU A 1 120 ? -3.943 -8.054 23.576 1.00 86.03 120 A 1 ATOM 998 C CD . GLU A 1 120 ? -5.076 -8.972 24.088 1.00 80.70 120 A 1 ATOM 999 O OE1 . GLU A 1 120 ? -6.194 -8.889 23.527 1.00 72.92 120 A 1 ATOM 1000 O OE2 . GLU A 1 120 ? -4.834 -9.789 25.013 1.00 74.15 120 A 1 ATOM 1001 N N . GLU A 1 121 ? 0.634 -8.272 24.673 1.00 96.28 121 A 1 ATOM 1002 C CA . GLU A 1 121 ? 1.840 -8.404 25.504 1.00 95.99 121 A 1 ATOM 1003 C C . GLU A 1 121 ? 2.850 -7.252 25.352 1.00 96.31 121 A 1 ATOM 1004 O O . GLU A 1 121 ? 3.774 -7.133 26.157 1.00 94.53 121 A 1 ATOM 1005 C CB . GLU A 1 121 ? 2.481 -9.769 25.202 1.00 95.39 121 A 1 ATOM 1006 C CG . GLU A 1 121 ? 2.918 -9.930 23.724 1.00 89.08 121 A 1 ATOM 1007 C CD . GLU A 1 121 ? 2.547 -11.276 23.083 1.00 85.07 121 A 1 ATOM 1008 O OE1 . GLU A 1 121 ? 3.200 -11.648 22.085 1.00 76.84 121 A 1 ATOM 1009 O OE2 . GLU A 1 121 ? 1.573 -11.908 23.569 1.00 78.64 121 A 1 ATOM 1010 N N . VAL A 1 122 ? 2.702 -6.423 24.314 1.00 96.35 122 A 1 ATOM 1011 C CA . VAL A 1 122 ? 3.550 -5.251 24.054 1.00 96.10 122 A 1 ATOM 1012 C C . VAL A 1 122 ? 2.902 -3.979 24.597 1.00 96.31 122 A 1 ATOM 1013 O O . VAL A 1 122 ? 3.565 -3.199 25.285 1.00 94.60 122 A 1 ATOM 1014 C CB . VAL A 1 122 ? 3.860 -5.112 22.546 1.00 95.43 122 A 1 ATOM 1015 C CG1 . VAL A 1 122 ? 4.661 -3.837 22.244 1.00 93.10 122 A 1 ATOM 1016 C CG2 . VAL A 1 122 ? 4.670 -6.307 22.037 1.00 94.12 122 A 1 ATOM 1017 N N . ASP A 1 123 ? 1.620 -3.763 24.276 1.00 96.30 123 A 1 ATOM 1018 C CA . ASP A 1 123 ? 0.835 -2.619 24.742 1.00 96.26 123 A 1 ATOM 1019 C C . ASP A 1 123 ? -0.663 -2.958 24.681 1.00 95.73 123 A 1 ATOM 1020 O O . ASP A 1 123 ? -1.092 -3.722 23.817 1.00 93.71 123 A 1 ATOM 1021 C CB . ASP A 1 123 ? 1.145 -1.379 23.881 1.00 95.57 123 A 1 ATOM 1022 C CG . ASP A 1 123 ? 1.104 -0.060 24.665 1.00 94.74 123 A 1 ATOM 1023 O OD1 . ASP A 1 123 ? 0.161 0.135 25.456 1.00 91.71 123 A 1 ATOM 1024 O OD2 . ASP A 1 123 ? 2.063 0.747 24.503 1.00 92.08 123 A 1 ATOM 1025 N N . ASP A 1 124 ? -1.460 -2.373 25.582 1.00 95.79 124 A 1 ATOM 1026 C CA . ASP A 1 124 ? -2.919 -2.523 25.594 1.00 94.66 124 A 1 ATOM 1027 C C . ASP A 1 124 ? -3.635 -1.553 24.634 1.00 94.75 124 A 1 ATOM 1028 O O . ASP A 1 124 ? -4.852 -1.631 24.462 1.00 92.01 124 A 1 ATOM 1029 C CB . ASP A 1 124 ? -3.432 -2.396 27.041 1.00 93.30 124 A 1 ATOM 1030 C CG . ASP A 1 124 ? -3.297 -0.997 27.668 1.00 88.34 124 A 1 ATOM 1031 O OD1 . ASP A 1 124 ? -2.586 -0.136 27.108 1.00 84.92 124 A 1 ATOM 1032 O OD2 . ASP A 1 124 ? -3.924 -0.786 28.733 1.00 84.92 124 A 1 ATOM 1033 N N . GLN A 1 125 ? -2.891 -0.645 24.017 1.00 96.36 125 A 1 ATOM 1034 C CA . GLN A 1 125 ? -3.365 0.326 23.035 1.00 96.07 125 A 1 ATOM 1035 C C . GLN A 1 125 ? -2.704 0.100 21.673 1.00 96.71 125 A 1 ATOM 1036 O O . GLN A 1 125 ? -1.525 -0.239 21.573 1.00 96.04 125 A 1 ATOM 1037 C CB . GLN A 1 125 ? -3.096 1.764 23.514 1.00 94.81 125 A 1 ATOM 1038 C CG . GLN A 1 125 ? -3.742 2.129 24.861 1.00 88.69 125 A 1 ATOM 1039 C CD . GLN A 1 125 ? -5.255 1.926 24.884 1.00 82.37 125 A 1 ATOM 1040 O OE1 . GLN A 1 125 ? -6.010 2.480 24.103 1.00 74.16 125 A 1 ATOM 1041 N NE2 . GLN A 1 125 ? -5.752 1.120 25.798 1.00 70.58 125 A 1 ATOM 1042 N N . ASP A 1 126 ? -3.458 0.369 20.614 1.00 96.85 126 A 1 ATOM 1043 C CA . ASP A 1 126 ? -2.914 0.414 19.260 1.00 96.95 126 A 1 ATOM 1044 C C . ASP A 1 126 ? -1.876 1.538 19.112 1.00 97.17 126 A 1 ATOM 1045 O O . ASP A 1 126 ? -1.966 2.604 19.727 1.00 96.17 126 A 1 ATOM 1046 C CB . ASP A 1 126 ? -4.045 0.596 18.237 1.00 96.00 126 A 1 ATOM 1047 C CG . ASP A 1 126 ? -4.900 -0.652 17.999 1.00 94.38 126 A 1 ATOM 1048 O OD1 . ASP A 1 126 ? -4.418 -1.777 18.259 1.00 91.34 126 A 1 ATOM 1049 O OD2 . ASP A 1 126 ? -6.019 -0.475 17.463 1.00 90.67 126 A 1 ATOM 1050 N N . TYR A 1 127 ? -0.898 1.327 18.236 1.00 97.85 127 A 1 ATOM 1051 C CA . TYR A 1 127 ? 0.103 2.340 17.922 1.00 97.98 127 A 1 ATOM 1052 C C . TYR A 1 127 ? -0.501 3.440 17.042 1.00 98.03 127 A 1 ATOM 1053 O O . TYR A 1 127 ? -0.894 3.194 15.897 1.00 97.84 127 A 1 ATOM 1054 C CB . TYR A 1 127 ? 1.321 1.680 17.268 1.00 97.94 127 A 1 ATOM 1055 C CG . TYR A 1 127 ? 2.436 2.658 16.955 1.00 97.94 127 A 1 ATOM 1056 C CD1 . TYR A 1 127 ? 2.510 3.277 15.689 1.00 97.13 127 A 1 ATOM 1057 C CD2 . TYR A 1 127 ? 3.381 2.981 17.947 1.00 97.35 127 A 1 ATOM 1058 C CE1 . TYR A 1 127 ? 3.528 4.210 15.414 1.00 96.65 127 A 1 ATOM 1059 C CE2 . TYR A 1 127 ? 4.400 3.912 17.679 1.00 96.80 127 A 1 ATOM 1060 C CZ . TYR A 1 127 ? 4.475 4.528 16.411 1.00 96.77 127 A 1 ATOM 1061 O OH . TYR A 1 127 ? 5.462 5.432 16.153 1.00 95.76 127 A 1 ATOM 1062 N N . GLU A 1 128 ? -0.534 4.672 17.557 1.00 97.87 128 A 1 ATOM 1063 C CA . GLU A 1 128 ? -0.992 5.840 16.802 1.00 97.80 128 A 1 ATOM 1064 C C . GLU A 1 128 ? 0.073 6.284 15.791 1.00 97.93 128 A 1 ATOM 1065 O O . GLU A 1 128 ? 1.214 6.593 16.143 1.00 97.52 128 A 1 ATOM 1066 C CB . GLU A 1 128 ? -1.410 6.957 17.765 1.00 97.03 128 A 1 ATOM 1067 C CG . GLU A 1 128 ? -2.158 8.084 17.027 1.00 88.23 128 A 1 ATOM 1068 C CD . GLU A 1 128 ? -2.719 9.157 17.977 1.00 86.46 128 A 1 ATOM 1069 O OE1 . GLU A 1 128 ? -3.827 9.663 17.690 1.00 77.46 128 A 1 ATOM 1070 O OE2 . GLU A 1 128 ? -2.035 9.501 18.961 1.00 79.89 128 A 1 ATOM 1071 N N . PHE A 1 129 ? -0.311 6.324 14.518 1.00 98.11 129 A 1 ATOM 1072 C CA . PHE A 1 129 ? 0.554 6.703 13.407 1.00 98.19 129 A 1 ATOM 1073 C C . PHE A 1 129 ? -0.100 7.789 12.550 1.00 98.27 129 A 1 ATOM 1074 O O . PHE A 1 129 ? -1.228 7.628 12.080 1.00 98.06 129 A 1 ATOM 1075 C CB . PHE A 1 129 ? 0.889 5.453 12.576 1.00 98.10 129 A 1 ATOM 1076 C CG . PHE A 1 129 ? 1.682 5.744 11.317 1.00 98.28 129 A 1 ATOM 1077 C CD1 . PHE A 1 129 ? 1.040 5.782 10.063 1.00 97.76 129 A 1 ATOM 1078 C CD2 . PHE A 1 129 ? 3.059 6.021 11.400 1.00 97.91 129 A 1 ATOM 1079 C CE1 . PHE A 1 129 ? 1.770 6.100 8.904 1.00 97.55 129 A 1 ATOM 1080 C CE2 . PHE A 1 129 ? 3.791 6.344 10.240 1.00 97.56 129 A 1 ATOM 1081 C CZ . PHE A 1 129 ? 3.144 6.385 8.993 1.00 97.66 129 A 1 ATOM 1082 N N . GLU A 1 130 ? 0.627 8.870 12.280 1.00 97.98 130 A 1 ATOM 1083 C CA . GLU A 1 130 ? 0.204 9.900 11.324 1.00 97.96 130 A 1 ATOM 1084 C C . GLU A 1 130 ? 0.881 9.682 9.966 1.00 97.93 130 A 1 ATOM 1085 O O . GLU A 1 130 ? 2.102 9.760 9.834 1.00 97.35 130 A 1 ATOM 1086 C CB . GLU A 1 130 ? 0.481 11.299 11.887 1.00 97.62 130 A 1 ATOM 1087 C CG . GLU A 1 130 ? -0.196 12.377 11.017 1.00 95.77 130 A 1 ATOM 1088 C CD . GLU A 1 130 ? 0.086 13.817 11.473 1.00 94.93 130 A 1 ATOM 1089 O OE1 . GLU A 1 130 ? -0.644 14.718 10.985 1.00 88.48 130 A 1 ATOM 1090 O OE2 . GLU A 1 130 ? 1.048 14.037 12.240 1.00 90.66 130 A 1 ATOM 1091 N N . SER A 1 131 ? 0.083 9.431 8.923 1.00 97.93 131 A 1 ATOM 1092 C CA . SER A 1 131 ? 0.565 9.385 7.542 1.00 97.62 131 A 1 ATOM 1093 C C . SER A 1 131 ? 0.655 10.803 6.982 1.00 97.57 131 A 1 ATOM 1094 O O . SER A 1 131 ? -0.307 11.318 6.398 1.00 96.65 131 A 1 ATOM 1095 C CB . SER A 1 131 ? -0.336 8.494 6.684 1.00 96.61 131 A 1 ATOM 1096 O OG . SER A 1 131 ? 0.248 8.285 5.406 1.00 90.41 131 A 1 ATOM 1097 N N . TYR A 1 132 ? 1.816 11.436 7.132 1.00 97.37 132 A 1 ATOM 1098 C CA . TYR A 1 132 ? 2.072 12.795 6.666 1.00 97.23 132 A 1 ATOM 1099 C C . TYR A 1 132 ? 3.222 12.845 5.654 1.00 97.41 132 A 1 ATOM 1100 O O . TYR A 1 132 ? 4.382 12.611 5.981 1.00 96.77 132 A 1 ATOM 1101 C CB . TYR A 1 132 ? 2.315 13.708 7.871 1.00 96.69 132 A 1 ATOM 1102 C CG . TYR A 1 132 ? 2.360 15.174 7.494 1.00 96.09 132 A 1 ATOM 1103 C CD1 . TYR A 1 132 ? 3.593 15.815 7.265 1.00 94.51 132 A 1 ATOM 1104 C CD2 . TYR A 1 132 ? 1.158 15.896 7.352 1.00 94.38 132 A 1 ATOM 1105 C CE1 . TYR A 1 132 ? 3.626 17.175 6.907 1.00 92.86 132 A 1 ATOM 1106 C CE2 . TYR A 1 132 ? 1.185 17.256 6.991 1.00 92.92 132 A 1 ATOM 1107 C CZ . TYR A 1 132 ? 2.422 17.898 6.770 1.00 92.72 132 A 1 ATOM 1108 O OH . TYR A 1 132 ? 2.452 19.218 6.428 1.00 91.01 132 A 1 ATOM 1109 N N . ASP A 1 133 ? 2.906 13.176 4.403 1.00 98.10 133 A 1 ATOM 1110 C CA . ASP A 1 133 ? 3.892 13.427 3.348 1.00 98.36 133 A 1 ATOM 1111 C C . ASP A 1 133 ? 3.803 14.894 2.920 1.00 98.34 133 A 1 ATOM 1112 O O . ASP A 1 133 ? 2.900 15.281 2.176 1.00 97.93 133 A 1 ATOM 1113 C CB . ASP A 1 133 ? 3.668 12.461 2.175 1.00 98.33 133 A 1 ATOM 1114 C CG . ASP A 1 133 ? 4.742 12.553 1.084 1.00 98.42 133 A 1 ATOM 1115 O OD1 . ASP A 1 133 ? 5.188 13.661 0.706 1.00 97.68 133 A 1 ATOM 1116 O OD2 . ASP A 1 133 ? 5.145 11.488 0.559 1.00 97.58 133 A 1 ATOM 1117 N N . LEU A 1 134 ? 4.756 15.711 3.373 1.00 98.09 134 A 1 ATOM 1118 C CA . LEU A 1 134 ? 4.777 17.160 3.146 1.00 97.87 134 A 1 ATOM 1119 C C . LEU A 1 134 ? 4.615 17.541 1.666 1.00 98.07 134 A 1 ATOM 1120 O O . LEU A 1 134 ? 3.917 18.502 1.344 1.00 97.76 134 A 1 ATOM 1121 C CB . LEU A 1 134 ? 6.105 17.710 3.707 1.00 97.09 134 A 1 ATOM 1122 C CG . LEU A 1 134 ? 6.309 19.230 3.523 1.00 90.86 134 A 1 ATOM 1123 C CD1 . LEU A 1 134 ? 5.293 20.045 4.326 1.00 86.03 134 A 1 ATOM 1124 C CD2 . LEU A 1 134 ? 7.714 19.621 3.981 1.00 85.82 134 A 1 ATOM 1125 N N . GLU A 1 135 ? 5.254 16.805 0.754 1.00 97.90 135 A 1 ATOM 1126 C CA . GLU A 1 135 ? 5.215 17.114 -0.679 1.00 97.87 135 A 1 ATOM 1127 C C . GLU A 1 135 ? 3.830 16.807 -1.273 1.00 97.87 135 A 1 ATOM 1128 O O . GLU A 1 135 ? 3.312 17.587 -2.074 1.00 97.49 135 A 1 ATOM 1129 C CB . GLU A 1 135 ? 6.313 16.331 -1.418 1.00 97.65 135 A 1 ATOM 1130 C CG . GLU A 1 135 ? 7.746 16.698 -0.981 1.00 97.07 135 A 1 ATOM 1131 C CD . GLU A 1 135 ? 8.799 15.859 -1.729 1.00 96.86 135 A 1 ATOM 1132 O OE1 . GLU A 1 135 ? 9.634 16.422 -2.471 1.00 93.53 135 A 1 ATOM 1133 O OE2 . GLU A 1 135 ? 8.776 14.605 -1.607 1.00 94.29 135 A 1 ATOM 1134 N N . VAL A 1 136 ? 3.204 15.710 -0.844 1.00 98.05 136 A 1 ATOM 1135 C CA . VAL A 1 136 ? 1.855 15.334 -1.302 1.00 98.13 136 A 1 ATOM 1136 C C . VAL A 1 136 ? 0.784 16.231 -0.674 1.00 97.94 136 A 1 ATOM 1137 O O . VAL A 1 136 ? -0.161 16.623 -1.364 1.00 97.65 136 A 1 ATOM 1138 C CB . VAL A 1 136 ? 1.561 13.851 -1.035 1.00 98.12 136 A 1 ATOM 1139 C CG1 . VAL A 1 136 ? 0.216 13.436 -1.644 1.00 97.52 136 A 1 ATOM 1140 C CG2 . VAL A 1 136 ? 2.629 12.953 -1.676 1.00 97.57 136 A 1 ATOM 1141 N N . GLU A 1 137 ? 0.938 16.620 0.590 1.00 97.96 137 A 1 ATOM 1142 C CA . GLU A 1 137 ? 0.040 17.577 1.247 1.00 97.71 137 A 1 ATOM 1143 C C . GLU A 1 137 ? 0.072 18.951 0.564 1.00 97.56 137 A 1 ATOM 1144 O O . GLU A 1 137 ? -0.978 19.548 0.327 1.00 96.95 137 A 1 ATOM 1145 C CB . GLU A 1 137 ? 0.405 17.727 2.733 1.00 97.49 137 A 1 ATOM 1146 C CG . GLU A 1 137 ? 0.069 16.485 3.580 1.00 96.21 137 A 1 ATOM 1147 C CD . GLU A 1 137 ? -1.420 16.121 3.554 1.00 96.56 137 A 1 ATOM 1148 O OE1 . GLU A 1 137 ? -1.747 14.918 3.640 1.00 92.71 137 A 1 ATOM 1149 O OE2 . GLU A 1 137 ? -2.297 17.018 3.486 1.00 94.03 137 A 1 ATOM 1150 N N . ALA A 1 138 ? 1.252 19.429 0.160 1.00 97.31 138 A 1 ATOM 1151 C CA . ALA A 1 138 ? 1.375 20.667 -0.611 1.00 96.86 138 A 1 ATOM 1152 C C . ALA A 1 138 ? 0.633 20.591 -1.961 1.00 96.54 138 A 1 ATOM 1153 O O . ALA A 1 138 ? -0.041 21.549 -2.354 1.00 95.64 138 A 1 ATOM 1154 C CB . ALA A 1 138 ? 2.867 20.981 -0.793 1.00 96.70 138 A 1 ATOM 1155 N N . LEU A 1 139 ? 0.692 19.448 -2.650 1.00 96.41 139 A 1 ATOM 1156 C CA . LEU A 1 139 ? -0.076 19.211 -3.882 1.00 95.39 139 A 1 ATOM 1157 C C . LEU A 1 139 ? -1.588 19.209 -3.623 1.00 95.03 139 A 1 ATOM 1158 O O . LEU A 1 139 ? -2.342 19.799 -4.399 1.00 93.94 139 A 1 ATOM 1159 C CB . LEU A 1 139 ? 0.340 17.874 -4.525 1.00 94.68 139 A 1 ATOM 1160 C CG . LEU A 1 139 ? 1.771 17.834 -5.086 1.00 90.53 139 A 1 ATOM 1161 C CD1 . LEU A 1 139 ? 2.112 16.394 -5.477 1.00 87.24 139 A 1 ATOM 1162 C CD2 . LEU A 1 139 ? 1.929 18.725 -6.319 1.00 87.37 139 A 1 ATOM 1163 N N . ALA A 1 140 ? -2.024 18.582 -2.534 1.00 95.64 140 A 1 ATOM 1164 C CA . ALA A 1 140 ? -3.436 18.535 -2.162 1.00 94.18 140 A 1 ATOM 1165 C C . ALA A 1 140 ? -4.000 19.939 -1.880 1.00 93.08 140 A 1 ATOM 1166 O O . ALA A 1 140 ? -5.077 20.279 -2.370 1.00 90.30 140 A 1 ATOM 1167 C CB . ALA A 1 140 ? -3.594 17.598 -0.955 1.00 93.88 140 A 1 ATOM 1168 N N . GLN A 1 141 ? -3.251 20.775 -1.166 1.00 94.78 141 A 1 ATOM 1169 C CA . GLN A 1 141 ? -3.629 22.162 -0.871 1.00 93.47 141 A 1 ATOM 1170 C C . GLN A 1 141 ? -3.639 23.063 -2.115 1.00 92.12 141 A 1 ATOM 1171 O O . GLN A 1 141 ? -4.465 23.972 -2.214 1.00 89.94 141 A 1 ATOM 1172 C CB . GLN A 1 141 ? -2.643 22.743 0.149 1.00 93.06 141 A 1 ATOM 1173 C CG . GLN A 1 141 ? -2.774 22.115 1.544 1.00 85.71 141 A 1 ATOM 1174 C CD . GLN A 1 141 ? -1.696 22.625 2.497 1.00 80.06 141 A 1 ATOM 1175 O OE1 . GLN A 1 141 ? -1.019 23.616 2.259 1.00 73.20 141 A 1 ATOM 1176 N NE2 . GLN A 1 141 ? -1.502 21.971 3.623 1.00 69.81 141 A 1 ATOM 1177 N N . ALA A 1 142 ? -2.722 22.846 -3.057 1.00 91.99 142 A 1 ATOM 1178 C CA . ALA A 1 142 ? -2.695 23.595 -4.314 1.00 90.02 142 A 1 ATOM 1179 C C . ALA A 1 142 ? -3.924 23.294 -5.191 1.00 87.93 142 A 1 ATOM 1180 O O . ALA A 1 142 ? -4.482 24.214 -5.782 1.00 82.36 142 A 1 ATOM 1181 C CB . ALA A 1 142 ? -1.379 23.291 -5.037 1.00 89.33 142 A 1 ATOM 1182 N N . GLY A 1 143 ? -4.365 22.035 -5.225 1.00 88.02 143 A 1 ATOM 1183 C CA . GLY A 1 143 ? -5.546 21.609 -5.985 1.00 85.21 143 A 1 ATOM 1184 C C . GLY A 1 143 ? -6.888 22.113 -5.436 1.00 84.00 143 A 1 ATOM 1185 O O . GLY A 1 143 ? -7.864 22.148 -6.179 1.00 79.81 143 A 1 ATOM 1186 N N . GLU A 1 144 ? -6.960 22.543 -4.172 1.00 83.23 144 A 1 ATOM 1187 C CA . GLU A 1 144 ? -8.182 23.127 -3.578 1.00 84.46 144 A 1 ATOM 1188 C C . GLU A 1 144 ? -8.386 24.613 -3.924 1.00 82.56 144 A 1 ATOM 1189 O O . GLU A 1 144 ? -9.454 25.169 -3.668 1.00 76.36 144 A 1 ATOM 1190 C CB . GLU A 1 144 ? -8.144 22.968 -2.054 1.00 82.22 144 A 1 ATOM 1191 C CG . GLU A 1 144 ? -8.375 21.514 -1.650 1.00 76.42 144 A 1 ATOM 1192 C CD . GLU A 1 144 ? -8.368 21.324 -0.135 1.00 73.29 144 A 1 ATOM 1193 O OE1 . GLU A 1 144 ? -9.183 20.513 0.355 1.00 67.24 144 A 1 ATOM 1194 O OE2 . GLU A 1 144 ? -7.461 21.840 0.555 1.00 70.82 144 A 1 ATOM 1195 N N . LYS A 1 145 ? -7.362 25.270 -4.475 1.00 79.23 145 A 1 ATOM 1196 C CA . LYS A 1 145 ? -7.384 26.709 -4.800 1.00 79.73 145 A 1 ATOM 1197 C C . LYS A 1 145 ? -7.759 27.002 -6.260 1.00 76.76 145 A 1 ATOM 1198 O O . LYS A 1 145 ? -7.743 28.170 -6.652 1.00 69.75 145 A 1 ATOM 1199 C CB . LYS A 1 145 ? -6.037 27.342 -4.421 1.00 78.17 145 A 1 ATOM 1200 C CG . LYS A 1 145 ? -5.812 27.355 -2.905 1.00 76.38 145 A 1 ATOM 1201 C CD . LYS A 1 145 ? -4.464 28.006 -2.581 1.00 71.23 145 A 1 ATOM 1202 C CE . LYS A 1 145 ? -4.251 27.990 -1.066 1.00 68.28 145 A 1 ATOM 1203 N NZ . LYS A 1 145 ? -2.939 28.579 -0.698 1.00 56.07 145 A 1 ATOM 1204 N N . THR A 1 146 ? -8.060 25.976 -7.041 1.00 73.00 146 A 1 ATOM 1205 C CA . THR A 1 146 ? -8.480 26.069 -8.456 1.00 74.74 146 A 1 ATOM 1206 C C . THR A 1 146 ? -9.916 25.601 -8.628 1.00 69.41 146 A 1 ATOM 1207 O O . THR A 1 146 ? -10.643 26.269 -9.396 1.00 61.65 146 A 1 ATOM 1208 C CB . THR A 1 146 ? -7.576 25.221 -9.361 1.00 67.75 146 A 1 ATOM 1209 O OG1 . THR A 1 146 ? -7.422 23.927 -8.802 1.00 63.03 146 A 1 ATOM 1210 C CG2 . THR A 1 146 ? -6.186 25.830 -9.528 1.00 64.06 146 A 1 ATOM 1211 O OXT . THR A 1 146 ? -10.231 24.556 -8.030 1.00 65.49 146 A 1 #