# 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_7f7p # _entry.id 7f7p # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # loop_ _entity.id _entity.pdbx_description _entity.type 1 . polymer 2 . polymer # loop_ _entity_poly.entity_id _entity_poly.pdbx_strand_id _entity_poly.type 1 A polypeptide(L) 2 B polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n LYS 2 1 n ILE 3 1 n THR 4 1 n SER 5 1 n SER 6 1 n ASN 7 1 n PHE 8 1 n ALA 9 1 n THR 10 1 n ILE 11 1 n ALA 12 1 n THR 13 1 n SER 14 1 n GLU 15 1 n ASN 16 1 n PHE 17 1 n ALA 18 1 n LYS 19 1 n LEU 20 1 n SER 21 1 n VAL 22 1 n LEU 23 1 n PRO 24 1 n LYS 25 1 n ASN 26 1 n HIS 27 1 n ARG 28 1 n GLU 29 1 n PRO 30 1 n ILE 31 1 n LYS 32 1 n GLY 33 1 n LEU 34 1 n PHE 35 1 n LYS 36 1 n SER 37 1 n ALA 38 1 n VAL 39 1 n GLU 40 1 n GLN 41 1 n PHE 42 1 n SER 43 1 n SER 44 1 n ALA 45 1 n ARG 46 1 n ASP 47 1 n PHE 48 1 n PHE 49 1 n LYS 50 1 n ASN 51 1 n GLU 52 1 n ASN 53 1 n TYR 54 1 n SER 55 1 n LYS 56 1 n GLU 57 1 n LEU 58 1 n ALA 59 1 n GLU 60 1 n LYS 61 1 n PHE 62 1 n ASN 63 1 n LYS 64 1 n GLU 65 1 n ALA 66 1 n VAL 67 1 n ASN 68 1 n GLU 69 1 n ALA 70 1 n VAL 71 1 n GLU 72 1 n LYS 73 1 n LEU 74 1 n GLN 75 1 n LYS 76 1 n ALA 77 1 n ILE 78 1 n ASP 79 1 n LEU 80 1 n ALA 81 1 n GLU 82 1 n LYS 83 1 n GLN 84 1 n GLY 85 1 n ILE 86 1 n GLN 87 1 n PHE 88 1 n LEU 89 1 n GLU 90 1 n HIS 91 1 n HIS 92 1 n HIS 93 1 n HIS 94 1 n HIS 95 1 n HIS 96 2 n MET 1 2 n LYS 2 2 n ILE 3 2 n THR 4 2 n SER 5 2 n SER 6 2 n ASN 7 2 n PHE 8 2 n ALA 9 2 n THR 10 2 n ILE 11 2 n ALA 12 2 n THR 13 2 n SER 14 2 n GLU 15 2 n ASN 16 2 n PHE 17 2 n ALA 18 2 n LYS 19 2 n LEU 20 2 n SER 21 2 n VAL 22 2 n LEU 23 2 n PRO 24 2 n LYS 25 2 n ASN 26 2 n HIS 27 2 n ARG 28 2 n GLU 29 2 n PRO 30 2 n ILE 31 2 n LYS 32 2 n GLY 33 2 n LEU 34 2 n PHE 35 2 n LYS 36 2 n SER 37 2 n ALA 38 2 n VAL 39 2 n GLU 40 2 n GLN 41 2 n PHE 42 2 n SER 43 2 n SER 44 2 n ALA 45 2 n ARG 46 2 n ASP 47 2 n PHE 48 2 n PHE 49 2 n LYS 50 2 n ASN 51 2 n GLU 52 2 n ASN 53 2 n TYR 54 2 n SER 55 2 n LYS 56 2 n GLU 57 2 n LEU 58 2 n ALA 59 2 n GLU 60 2 n LYS 61 2 n PHE 62 2 n ASN 63 2 n LYS 64 2 n GLU 65 2 n ALA 66 2 n VAL 67 2 n ASN 68 2 n GLU 69 2 n ALA 70 2 n VAL 71 2 n GLU 72 2 n LYS 73 2 n LEU 74 2 n GLN 75 2 n LYS 76 2 n ALA 77 2 n ILE 78 2 n ASP 79 2 n LEU 80 2 n ALA 81 2 n GLU 82 2 n LYS 83 2 n GLN 84 2 n GLY 85 2 n ILE 86 2 n GLN 87 2 n PHE 88 2 n LEU 89 2 n GLU 90 2 n HIS 91 2 n HIS 92 2 n HIS 93 2 n HIS 94 2 n HIS 95 2 n HIS 96 # _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 @ 2025-09-26 03:26:01)" _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 90.97 _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 88.30 1 1 A LYS 2 2 84.56 1 2 A ILE 3 2 96.06 1 3 A THR 4 2 96.45 1 4 A SER 5 2 95.09 1 5 A SER 6 2 93.32 1 6 A ASN 7 2 95.99 1 7 A PHE 8 2 97.91 1 8 A ALA 9 2 95.81 1 9 A THR 10 2 93.72 1 10 A ILE 11 2 94.83 1 11 A ALA 12 2 96.90 1 12 A THR 13 2 95.99 1 13 A SER 14 2 93.28 1 14 A GLU 15 2 86.00 1 15 A ASN 16 2 96.52 1 16 A PHE 17 2 97.46 1 17 A ALA 18 2 97.38 1 18 A LYS 19 2 94.46 1 19 A LEU 20 2 97.70 1 20 A SER 21 2 94.87 1 21 A VAL 22 2 91.89 1 22 A LEU 23 2 96.50 1 23 A PRO 24 2 95.53 1 24 A LYS 25 2 84.75 1 25 A ASN 26 2 89.27 1 26 A HIS 27 2 89.68 1 27 A ARG 28 2 89.45 1 28 A GLU 29 2 88.10 1 29 A PRO 30 2 96.64 1 30 A ILE 31 2 98.15 1 31 A LYS 32 2 93.18 1 32 A GLY 33 2 97.91 1 33 A LEU 34 2 96.62 1 34 A PHE 35 2 98.06 1 35 A LYS 36 2 89.87 1 36 A SER 37 2 97.62 1 37 A ALA 38 2 98.58 1 38 A VAL 39 2 97.87 1 39 A GLU 40 2 92.11 1 40 A GLN 41 2 97.17 1 41 A PHE 42 2 97.49 1 42 A SER 43 2 93.84 1 43 A SER 44 2 95.31 1 44 A ALA 45 2 97.59 1 45 A ARG 46 2 77.60 1 46 A ASP 47 2 94.91 1 47 A PHE 48 2 97.71 1 48 A PHE 49 2 97.02 1 49 A LYS 50 2 91.19 1 50 A ASN 51 2 94.62 1 51 A GLU 52 2 86.58 1 52 A ASN 53 2 94.72 1 53 A TYR 54 2 97.31 1 54 A SER 55 2 97.11 1 55 A LYS 56 2 86.51 1 56 A GLU 57 2 86.62 1 57 A LEU 58 2 97.24 1 58 A ALA 59 2 98.49 1 59 A GLU 60 2 90.37 1 60 A LYS 61 2 90.94 1 61 A PHE 62 2 97.87 1 62 A ASN 63 2 96.59 1 63 A LYS 64 2 89.10 1 64 A GLU 65 2 91.06 1 65 A ALA 66 2 98.61 1 66 A VAL 67 2 98.25 1 67 A ASN 68 2 94.50 1 68 A GLU 69 2 96.03 1 69 A ALA 70 2 98.68 1 70 A VAL 71 2 98.47 1 71 A GLU 72 2 93.18 1 72 A LYS 73 2 94.24 1 73 A LEU 74 2 98.37 1 74 A GLN 75 2 97.30 1 75 A LYS 76 2 90.84 1 76 A ALA 77 2 98.54 1 77 A ILE 78 2 96.68 1 78 A ASP 79 2 97.26 1 79 A LEU 80 2 97.49 1 80 A ALA 81 2 98.07 1 81 A GLU 82 2 96.77 1 82 A LYS 83 2 88.50 1 83 A GLN 84 2 92.55 1 84 A GLY 85 2 96.68 1 85 A ILE 86 2 95.86 1 86 A GLN 87 2 88.95 1 87 A PHE 88 2 96.68 1 88 A LEU 89 2 87.89 1 89 A GLU 90 2 83.63 1 90 A HIS 91 2 74.36 1 91 A HIS 92 2 65.74 1 92 A HIS 93 2 55.91 1 93 A HIS 94 2 51.17 1 94 A HIS 95 2 50.15 1 95 A HIS 96 2 47.90 1 96 B MET 1 2 88.40 1 97 B LYS 2 2 84.74 1 98 B ILE 3 2 96.24 1 99 B THR 4 2 96.47 1 100 B SER 5 2 95.22 1 101 B SER 6 2 93.40 1 102 B ASN 7 2 95.92 1 103 B PHE 8 2 97.73 1 104 B ALA 9 2 95.74 1 105 B THR 10 2 93.80 1 106 B ILE 11 2 94.84 1 107 B ALA 12 2 96.83 1 108 B THR 13 2 95.98 1 109 B SER 14 2 93.18 1 110 B GLU 15 2 85.75 1 111 B ASN 16 2 96.47 1 112 B PHE 17 2 97.34 1 113 B ALA 18 2 97.26 1 114 B LYS 19 2 94.42 1 115 B LEU 20 2 97.59 1 116 B SER 21 2 94.56 1 117 B VAL 22 2 91.51 1 118 B LEU 23 2 96.31 1 119 B PRO 24 2 95.10 1 120 B LYS 25 2 84.68 1 121 B ASN 26 2 88.92 1 122 B HIS 27 2 89.41 1 123 B ARG 28 2 89.53 1 124 B GLU 29 2 87.88 1 125 B PRO 30 2 96.35 1 126 B ILE 31 2 98.08 1 127 B LYS 32 2 93.03 1 128 B GLY 33 2 97.78 1 129 B LEU 34 2 96.77 1 130 B PHE 35 2 97.95 1 131 B LYS 36 2 89.91 1 132 B SER 37 2 97.59 1 133 B ALA 38 2 98.55 1 134 B VAL 39 2 97.87 1 135 B GLU 40 2 92.07 1 136 B GLN 41 2 97.15 1 137 B PHE 42 2 97.49 1 138 B SER 43 2 93.88 1 139 B SER 44 2 95.31 1 140 B ALA 45 2 97.62 1 141 B ARG 46 2 77.65 1 142 B ASP 47 2 94.95 1 143 B PHE 48 2 97.75 1 144 B PHE 49 2 97.05 1 145 B LYS 50 2 91.21 1 146 B ASN 51 2 94.61 1 147 B GLU 52 2 86.93 1 148 B ASN 53 2 94.84 1 149 B TYR 54 2 97.21 1 150 B SER 55 2 97.18 1 151 B LYS 56 2 86.39 1 152 B GLU 57 2 86.77 1 153 B LEU 58 2 97.18 1 154 B ALA 59 2 98.49 1 155 B GLU 60 2 90.05 1 156 B LYS 61 2 90.92 1 157 B PHE 62 2 97.86 1 158 B ASN 63 2 96.66 1 159 B LYS 64 2 89.16 1 160 B GLU 65 2 90.99 1 161 B ALA 66 2 98.61 1 162 B VAL 67 2 98.26 1 163 B ASN 68 2 94.64 1 164 B GLU 69 2 96.27 1 165 B ALA 70 2 98.66 1 166 B VAL 71 2 98.46 1 167 B GLU 72 2 93.03 1 168 B LYS 73 2 94.23 1 169 B LEU 74 2 98.37 1 170 B GLN 75 2 97.38 1 171 B LYS 76 2 91.17 1 172 B ALA 77 2 98.50 1 173 B ILE 78 2 96.92 1 174 B ASP 79 2 97.28 1 175 B LEU 80 2 97.42 1 176 B ALA 81 2 98.00 1 177 B GLU 82 2 96.85 1 178 B LYS 83 2 88.34 1 179 B GLN 84 2 92.43 1 180 B GLY 85 2 96.55 1 181 B ILE 86 2 95.93 1 182 B GLN 87 2 88.61 1 183 B PHE 88 2 96.52 1 184 B LEU 89 2 87.89 1 185 B GLU 90 2 83.36 1 186 B HIS 91 2 74.50 1 187 B HIS 92 2 65.69 1 188 B HIS 93 2 56.24 1 189 B HIS 94 2 51.98 1 190 B HIS 95 2 50.93 1 191 B HIS 96 2 49.12 1 192 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # loop_ _ma_target_entity.data_id _ma_target_entity.entity_id _ma_target_entity.origin 1 1 . 1 2 . # loop_ _ma_target_entity_instance.asym_id _ma_target_entity_instance.details _ma_target_entity_instance.entity_id A . 1 B . 2 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n LYS . 2 A 2 A 3 1 n ILE . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n ASN . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n GLU . 15 A 15 A 16 1 n ASN . 16 A 16 A 17 1 n PHE . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n LYS . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n VAL . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n PRO . 24 A 24 A 25 1 n LYS . 25 A 25 A 26 1 n ASN . 26 A 26 A 27 1 n HIS . 27 A 27 A 28 1 n ARG . 28 A 28 A 29 1 n GLU . 29 A 29 A 30 1 n PRO . 30 A 30 A 31 1 n ILE . 31 A 31 A 32 1 n LYS . 32 A 32 A 33 1 n GLY . 33 A 33 A 34 1 n LEU . 34 A 34 A 35 1 n PHE . 35 A 35 A 36 1 n LYS . 36 A 36 A 37 1 n SER . 37 A 37 A 38 1 n ALA . 38 A 38 A 39 1 n VAL . 39 A 39 A 40 1 n GLU . 40 A 40 A 41 1 n GLN . 41 A 41 A 42 1 n PHE . 42 A 42 A 43 1 n SER . 43 A 43 A 44 1 n SER . 44 A 44 A 45 1 n ALA . 45 A 45 A 46 1 n ARG . 46 A 46 A 47 1 n ASP . 47 A 47 A 48 1 n PHE . 48 A 48 A 49 1 n PHE . 49 A 49 A 50 1 n LYS . 50 A 50 A 51 1 n ASN . 51 A 51 A 52 1 n GLU . 52 A 52 A 53 1 n ASN . 53 A 53 A 54 1 n TYR . 54 A 54 A 55 1 n SER . 55 A 55 A 56 1 n LYS . 56 A 56 A 57 1 n GLU . 57 A 57 A 58 1 n LEU . 58 A 58 A 59 1 n ALA . 59 A 59 A 60 1 n GLU . 60 A 60 A 61 1 n LYS . 61 A 61 A 62 1 n PHE . 62 A 62 A 63 1 n ASN . 63 A 63 A 64 1 n LYS . 64 A 64 A 65 1 n GLU . 65 A 65 A 66 1 n ALA . 66 A 66 A 67 1 n VAL . 67 A 67 A 68 1 n ASN . 68 A 68 A 69 1 n GLU . 69 A 69 A 70 1 n ALA . 70 A 70 A 71 1 n VAL . 71 A 71 A 72 1 n GLU . 72 A 72 A 73 1 n LYS . 73 A 73 A 74 1 n LEU . 74 A 74 A 75 1 n GLN . 75 A 75 A 76 1 n LYS . 76 A 76 A 77 1 n ALA . 77 A 77 A 78 1 n ILE . 78 A 78 A 79 1 n ASP . 79 A 79 A 80 1 n LEU . 80 A 80 A 81 1 n ALA . 81 A 81 A 82 1 n GLU . 82 A 82 A 83 1 n LYS . 83 A 83 A 84 1 n GLN . 84 A 84 A 85 1 n GLY . 85 A 85 A 86 1 n ILE . 86 A 86 A 87 1 n GLN . 87 A 87 A 88 1 n PHE . 88 A 88 A 89 1 n LEU . 89 A 89 A 90 1 n GLU . 90 A 90 A 91 1 n HIS . 91 A 91 A 92 1 n HIS . 92 A 92 A 93 1 n HIS . 93 A 93 A 94 1 n HIS . 94 A 94 A 95 1 n HIS . 95 A 95 A 96 1 n HIS . 96 A 96 B 1 2 n MET . 1 B 1 B 2 2 n LYS . 2 B 2 B 3 2 n ILE . 3 B 3 B 4 2 n THR . 4 B 4 B 5 2 n SER . 5 B 5 B 6 2 n SER . 6 B 6 B 7 2 n ASN . 7 B 7 B 8 2 n PHE . 8 B 8 B 9 2 n ALA . 9 B 9 B 10 2 n THR . 10 B 10 B 11 2 n ILE . 11 B 11 B 12 2 n ALA . 12 B 12 B 13 2 n THR . 13 B 13 B 14 2 n SER . 14 B 14 B 15 2 n GLU . 15 B 15 B 16 2 n ASN . 16 B 16 B 17 2 n PHE . 17 B 17 B 18 2 n ALA . 18 B 18 B 19 2 n LYS . 19 B 19 B 20 2 n LEU . 20 B 20 B 21 2 n SER . 21 B 21 B 22 2 n VAL . 22 B 22 B 23 2 n LEU . 23 B 23 B 24 2 n PRO . 24 B 24 B 25 2 n LYS . 25 B 25 B 26 2 n ASN . 26 B 26 B 27 2 n HIS . 27 B 27 B 28 2 n ARG . 28 B 28 B 29 2 n GLU . 29 B 29 B 30 2 n PRO . 30 B 30 B 31 2 n ILE . 31 B 31 B 32 2 n LYS . 32 B 32 B 33 2 n GLY . 33 B 33 B 34 2 n LEU . 34 B 34 B 35 2 n PHE . 35 B 35 B 36 2 n LYS . 36 B 36 B 37 2 n SER . 37 B 37 B 38 2 n ALA . 38 B 38 B 39 2 n VAL . 39 B 39 B 40 2 n GLU . 40 B 40 B 41 2 n GLN . 41 B 41 B 42 2 n PHE . 42 B 42 B 43 2 n SER . 43 B 43 B 44 2 n SER . 44 B 44 B 45 2 n ALA . 45 B 45 B 46 2 n ARG . 46 B 46 B 47 2 n ASP . 47 B 47 B 48 2 n PHE . 48 B 48 B 49 2 n PHE . 49 B 49 B 50 2 n LYS . 50 B 50 B 51 2 n ASN . 51 B 51 B 52 2 n GLU . 52 B 52 B 53 2 n ASN . 53 B 53 B 54 2 n TYR . 54 B 54 B 55 2 n SER . 55 B 55 B 56 2 n LYS . 56 B 56 B 57 2 n GLU . 57 B 57 B 58 2 n LEU . 58 B 58 B 59 2 n ALA . 59 B 59 B 60 2 n GLU . 60 B 60 B 61 2 n LYS . 61 B 61 B 62 2 n PHE . 62 B 62 B 63 2 n ASN . 63 B 63 B 64 2 n LYS . 64 B 64 B 65 2 n GLU . 65 B 65 B 66 2 n ALA . 66 B 66 B 67 2 n VAL . 67 B 67 B 68 2 n ASN . 68 B 68 B 69 2 n GLU . 69 B 69 B 70 2 n ALA . 70 B 70 B 71 2 n VAL . 71 B 71 B 72 2 n GLU . 72 B 72 B 73 2 n LYS . 73 B 73 B 74 2 n LEU . 74 B 74 B 75 2 n GLN . 75 B 75 B 76 2 n LYS . 76 B 76 B 77 2 n ALA . 77 B 77 B 78 2 n ILE . 78 B 78 B 79 2 n ASP . 79 B 79 B 80 2 n LEU . 80 B 80 B 81 2 n ALA . 81 B 81 B 82 2 n GLU . 82 B 82 B 83 2 n LYS . 83 B 83 B 84 2 n GLN . 84 B 84 B 85 2 n GLY . 85 B 85 B 86 2 n ILE . 86 B 86 B 87 2 n GLN . 87 B 87 B 88 2 n PHE . 88 B 88 B 89 2 n LEU . 89 B 89 B 90 2 n GLU . 90 B 90 B 91 2 n HIS . 91 B 91 B 92 2 n HIS . 92 B 92 B 93 2 n HIS . 93 B 93 B 94 2 n HIS . 94 B 94 B 95 2 n HIS . 95 B 95 B 96 2 n HIS . 96 B 96 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (e807fd846049899dfdec5ca44da98c95d67dbcda1ded4e3a9b5f8a9fca437aa0)" # loop_ _struct_asym.entity_id _struct_asym.id 1 A 2 B # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? 19.345 9.316 19.418 1.00 90.00 1 A 1 ATOM 2 C CA . MET A 1 1 ? 18.786 7.953 19.562 1.00 94.66 1 A 1 ATOM 3 C C . MET A 1 1 ? 18.543 7.379 18.173 1.00 96.94 1 A 1 ATOM 4 O O . MET A 1 1 ? 17.948 8.057 17.341 1.00 96.56 1 A 1 ATOM 5 C CB . MET A 1 1 ? 17.496 8.011 20.395 1.00 89.45 1 A 1 ATOM 6 C CG . MET A 1 1 ? 16.868 6.637 20.629 1.00 84.48 1 A 1 ATOM 7 S SD . MET A 1 1 ? 15.380 6.739 21.665 1.00 82.75 1 A 1 ATOM 8 C CE . MET A 1 1 ? 16.114 6.780 23.321 1.00 71.59 1 A 1 ATOM 9 N N . LYS A 1 2 ? 19.015 6.147 17.888 1.00 95.22 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 18.833 5.512 16.572 1.00 96.66 2 A 1 ATOM 11 C C . LYS A 1 2 ? 17.528 4.725 16.541 1.00 97.30 2 A 1 ATOM 12 O O . LYS A 1 2 ? 17.357 3.797 17.336 1.00 96.72 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 20.048 4.640 16.230 1.00 95.79 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 19.951 4.081 14.804 1.00 84.36 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 21.183 3.243 14.445 1.00 75.49 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 21.025 2.699 13.026 1.00 63.81 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 22.177 1.858 12.615 1.00 55.71 2 A 1 ATOM 18 N N . ILE A 1 3 ? 16.641 5.071 15.609 1.00 97.53 3 A 1 ATOM 19 C CA . ILE A 1 3 ? 15.367 4.376 15.405 1.00 97.76 3 A 1 ATOM 20 C C . ILE A 1 3 ? 15.564 3.221 14.420 1.00 97.81 3 A 1 ATOM 21 O O . ILE A 1 3 ? 16.259 3.346 13.414 1.00 97.50 3 A 1 ATOM 22 C CB . ILE A 1 3 ? 14.265 5.347 14.944 1.00 97.51 3 A 1 ATOM 23 C CG1 . ILE A 1 3 ? 14.234 6.668 15.751 1.00 95.53 3 A 1 ATOM 24 C CG2 . ILE A 1 3 ? 12.892 4.661 14.993 1.00 96.68 3 A 1 ATOM 25 C CD1 . ILE A 1 3 ? 14.132 6.498 17.270 1.00 88.19 3 A 1 ATOM 26 N N . THR A 1 4 ? 14.928 2.095 14.722 1.00 97.81 4 A 1 ATOM 27 C CA . THR A 1 4 ? 14.868 0.896 13.871 1.00 97.48 4 A 1 ATOM 28 C C . THR A 1 4 ? 13.443 0.337 13.886 1.00 97.56 4 A 1 ATOM 29 O O . THR A 1 4 ? 12.617 0.743 14.704 1.00 97.23 4 A 1 ATOM 30 C CB . THR A 1 4 ? 15.855 -0.187 14.351 1.00 96.80 4 A 1 ATOM 31 O OG1 . THR A 1 4 ? 15.484 -0.669 15.616 1.00 94.57 4 A 1 ATOM 32 C CG2 . THR A 1 4 ? 17.303 0.303 14.443 1.00 93.71 4 A 1 ATOM 33 N N . SER A 1 5 ? 13.132 -0.617 13.014 1.00 97.40 5 A 1 ATOM 34 C CA . SER A 1 5 ? 11.826 -1.295 13.057 1.00 97.02 5 A 1 ATOM 35 C C . SER A 1 5 ? 11.596 -2.067 14.366 1.00 96.78 5 A 1 ATOM 36 O O . SER A 1 5 ? 10.457 -2.188 14.808 1.00 96.00 5 A 1 ATOM 37 C CB . SER A 1 5 ? 11.693 -2.245 11.863 1.00 96.34 5 A 1 ATOM 38 O OG . SER A 1 5 ? 12.800 -3.125 11.797 1.00 87.02 5 A 1 ATOM 39 N N . SER A 1 6 ? 12.660 -2.545 15.004 1.00 96.37 6 A 1 ATOM 40 C CA . SER A 1 6 ? 12.578 -3.336 16.239 1.00 95.65 6 A 1 ATOM 41 C C . SER A 1 6 ? 12.330 -2.495 17.494 1.00 95.55 6 A 1 ATOM 42 O O . SER A 1 6 ? 11.614 -2.943 18.382 1.00 94.11 6 A 1 ATOM 43 C CB . SER A 1 6 ? 13.848 -4.175 16.420 1.00 94.61 6 A 1 ATOM 44 O OG . SER A 1 6 ? 15.015 -3.379 16.369 1.00 83.64 6 A 1 ATOM 45 N N . ASN A 1 7 ? 12.873 -1.276 17.569 1.00 96.58 7 A 1 ATOM 46 C CA . ASN A 1 7 ? 12.674 -0.389 18.722 1.00 96.59 7 A 1 ATOM 47 C C . ASN A 1 7 ? 11.635 0.721 18.479 1.00 97.12 7 A 1 ATOM 48 O O . ASN A 1 7 ? 11.339 1.491 19.390 1.00 96.83 7 A 1 ATOM 49 C CB . ASN A 1 7 ? 14.026 0.141 19.222 1.00 96.07 7 A 1 ATOM 50 C CG . ASN A 1 7 ? 14.671 1.195 18.339 1.00 96.46 7 A 1 ATOM 51 O OD1 . ASN A 1 7 ? 14.200 1.557 17.279 1.00 94.36 7 A 1 ATOM 52 N ND2 . ASN A 1 7 ? 15.793 1.722 18.774 1.00 93.90 7 A 1 ATOM 53 N N . PHE A 1 8 ? 11.038 0.794 17.286 1.00 97.40 8 A 1 ATOM 54 C CA . PHE A 1 8 ? 10.062 1.829 16.932 1.00 97.71 8 A 1 ATOM 55 C C . PHE A 1 8 ? 8.941 1.956 17.974 1.00 97.51 8 A 1 ATOM 56 O O . PHE A 1 8 ? 8.669 3.051 18.463 1.00 97.09 8 A 1 ATOM 57 C CB . PHE A 1 8 ? 9.489 1.519 15.543 1.00 97.96 8 A 1 ATOM 58 C CG . PHE A 1 8 ? 8.578 2.596 15.001 1.00 98.38 8 A 1 ATOM 59 C CD1 . PHE A 1 8 ? 7.255 2.720 15.458 1.00 98.21 8 A 1 ATOM 60 C CD2 . PHE A 1 8 ? 9.061 3.498 14.033 1.00 98.18 8 A 1 ATOM 61 C CE1 . PHE A 1 8 ? 6.430 3.747 14.974 1.00 98.12 8 A 1 ATOM 62 C CE2 . PHE A 1 8 ? 8.237 4.519 13.542 1.00 98.09 8 A 1 ATOM 63 C CZ . PHE A 1 8 ? 6.923 4.650 14.018 1.00 98.31 8 A 1 ATOM 64 N N . ALA A 1 9 ? 8.315 0.838 18.337 1.00 96.65 9 A 1 ATOM 65 C CA . ALA A 1 9 ? 7.198 0.827 19.285 1.00 96.16 9 A 1 ATOM 66 C C . ALA A 1 9 ? 7.610 1.218 20.719 1.00 96.15 9 A 1 ATOM 67 O O . ALA A 1 9 ? 6.788 1.752 21.461 1.00 95.10 9 A 1 ATOM 68 C CB . ALA A 1 9 ? 6.553 -0.563 19.248 1.00 94.99 9 A 1 ATOM 69 N N . THR A 1 10 ? 8.865 0.989 21.103 1.00 96.49 10 A 1 ATOM 70 C CA . THR A 1 10 ? 9.372 1.333 22.446 1.00 96.06 10 A 1 ATOM 71 C C . THR A 1 10 ? 9.717 2.819 22.559 1.00 96.17 10 A 1 ATOM 72 O O . THR A 1 10 ? 9.680 3.379 23.653 1.00 95.35 10 A 1 ATOM 73 C CB . THR A 1 10 ? 10.584 0.472 22.840 1.00 94.99 10 A 1 ATOM 74 O OG1 . THR A 1 10 ? 11.693 0.736 22.016 1.00 89.22 10 A 1 ATOM 75 C CG2 . THR A 1 10 ? 10.305 -1.033 22.733 1.00 87.79 10 A 1 ATOM 76 N N . ILE A 1 11 ? 9.986 3.478 21.433 1.00 97.11 11 A 1 ATOM 77 C CA . ILE A 1 11 ? 10.306 4.910 21.365 1.00 97.07 11 A 1 ATOM 78 C C . ILE A 1 11 ? 9.063 5.748 21.036 1.00 97.21 11 A 1 ATOM 79 O O . ILE A 1 11 ? 8.869 6.819 21.614 1.00 97.04 11 A 1 ATOM 80 C CB . ILE A 1 11 ? 11.443 5.136 20.348 1.00 96.74 11 A 1 ATOM 81 C CG1 . ILE A 1 11 ? 12.730 4.419 20.826 1.00 94.29 11 A 1 ATOM 82 C CG2 . ILE A 1 11 ? 11.719 6.640 20.153 1.00 94.61 11 A 1 ATOM 83 C CD1 . ILE A 1 11 ? 13.780 4.246 19.724 1.00 84.60 11 A 1 ATOM 84 N N . ALA A 1 12 ? 8.196 5.275 20.129 1.00 97.43 12 A 1 ATOM 85 C CA . ALA A 1 12 ? 6.967 5.953 19.711 1.00 97.15 12 A 1 ATOM 86 C C . ALA A 1 12 ? 5.843 5.823 20.760 1.00 96.85 12 A 1 ATOM 87 O O . ALA A 1 12 ? 4.731 5.382 20.468 1.00 96.12 12 A 1 ATOM 88 C CB . ALA A 1 12 ? 6.573 5.454 18.320 1.00 96.95 12 A 1 ATOM 89 N N . THR A 1 13 ? 6.133 6.216 21.995 1.00 96.89 13 A 1 ATOM 90 C CA . THR A 1 13 ? 5.210 6.131 23.134 1.00 96.54 13 A 1 ATOM 91 C C . THR A 1 13 ? 4.486 7.456 23.374 1.00 96.73 13 A 1 ATOM 92 O O . THR A 1 13 ? 4.957 8.534 22.995 1.00 96.67 13 A 1 ATOM 93 C CB . THR A 1 13 ? 5.934 5.683 24.414 1.00 95.99 13 A 1 ATOM 94 O OG1 . THR A 1 13 ? 6.821 6.685 24.847 1.00 94.76 13 A 1 ATOM 95 C CG2 . THR A 1 13 ? 6.722 4.383 24.226 1.00 94.38 13 A 1 ATOM 96 N N . SER A 1 14 ? 3.341 7.397 24.060 1.00 95.80 14 A 1 ATOM 97 C CA . SER A 1 14 ? 2.602 8.599 24.477 1.00 95.64 14 A 1 ATOM 98 C C . SER A 1 14 ? 3.432 9.506 25.390 1.00 95.98 14 A 1 ATOM 99 O O . SER A 1 14 ? 3.333 10.727 25.287 1.00 95.67 14 A 1 ATOM 100 C CB . SER A 1 14 ? 1.316 8.201 25.210 1.00 94.51 14 A 1 ATOM 101 O OG . SER A 1 14 ? 0.504 7.409 24.360 1.00 82.10 14 A 1 ATOM 102 N N . GLU A 1 15 ? 4.277 8.928 26.238 1.00 96.19 15 A 1 ATOM 103 C CA . GLU A 1 15 ? 5.163 9.685 27.123 1.00 96.04 15 A 1 ATOM 104 C C . GLU A 1 15 ? 6.213 10.473 26.328 1.00 96.70 15 A 1 ATOM 105 O O . GLU A 1 15 ? 6.362 11.685 26.512 1.00 96.55 15 A 1 ATOM 106 C CB . GLU A 1 15 ? 5.837 8.724 28.112 1.00 95.12 15 A 1 ATOM 107 C CG . GLU A 1 15 ? 6.581 9.505 29.205 1.00 82.02 15 A 1 ATOM 108 C CD . GLU A 1 15 ? 7.400 8.613 30.134 1.00 74.29 15 A 1 ATOM 109 O OE1 . GLU A 1 15 ? 8.449 9.108 30.607 1.00 67.81 15 A 1 ATOM 110 O OE2 . GLU A 1 15 ? 6.999 7.450 30.340 1.00 69.25 15 A 1 ATOM 111 N N . ASN A 1 16 ? 6.888 9.828 25.377 1.00 96.90 16 A 1 ATOM 112 C CA . ASN A 1 16 ? 7.857 10.504 24.516 1.00 97.20 16 A 1 ATOM 113 C C . ASN A 1 16 ? 7.183 11.568 23.633 1.00 97.57 16 A 1 ATOM 114 O O . ASN A 1 16 ? 7.710 12.666 23.485 1.00 97.59 16 A 1 ATOM 115 C CB . ASN A 1 16 ? 8.620 9.457 23.696 1.00 97.11 16 A 1 ATOM 116 C CG . ASN A 1 16 ? 9.735 8.783 24.486 1.00 96.99 16 A 1 ATOM 117 O OD1 . ASN A 1 16 ? 10.294 9.327 25.428 1.00 94.61 16 A 1 ATOM 118 N ND2 . ASN A 1 16 ? 10.139 7.602 24.075 1.00 94.21 16 A 1 ATOM 119 N N . PHE A 1 17 ? 5.974 11.299 23.116 1.00 97.77 17 A 1 ATOM 120 C CA . PHE A 1 17 ? 5.201 12.292 22.364 1.00 97.87 17 A 1 ATOM 121 C C . PHE A 1 17 ? 4.828 13.512 23.222 1.00 97.94 17 A 1 ATOM 122 O O . PHE A 1 17 ? 4.883 14.647 22.737 1.00 97.95 17 A 1 ATOM 123 C CB . PHE A 1 17 ? 3.950 11.634 21.779 1.00 97.78 17 A 1 ATOM 124 C CG . PHE A 1 17 ? 3.140 12.583 20.923 1.00 97.81 17 A 1 ATOM 125 C CD1 . PHE A 1 17 ? 1.979 13.191 21.434 1.00 97.24 17 A 1 ATOM 126 C CD2 . PHE A 1 17 ? 3.575 12.891 19.621 1.00 97.33 17 A 1 ATOM 127 C CE1 . PHE A 1 17 ? 1.251 14.093 20.642 1.00 96.73 17 A 1 ATOM 128 C CE2 . PHE A 1 17 ? 2.849 13.794 18.828 1.00 96.72 17 A 1 ATOM 129 C CZ . PHE A 1 17 ? 1.689 14.394 19.339 1.00 96.94 17 A 1 ATOM 130 N N . ALA A 1 18 ? 4.487 13.307 24.499 1.00 97.71 18 A 1 ATOM 131 C CA . ALA A 1 18 ? 4.143 14.392 25.421 1.00 97.53 18 A 1 ATOM 132 C C . ALA A 1 18 ? 5.319 15.362 25.642 1.00 97.56 18 A 1 ATOM 133 O O . ALA A 1 18 ? 5.101 16.578 25.703 1.00 97.11 18 A 1 ATOM 134 C CB . ALA A 1 18 ? 3.639 13.784 26.734 1.00 96.98 18 A 1 ATOM 135 N N . LYS A 1 19 ? 6.557 14.870 25.631 1.00 97.72 19 A 1 ATOM 136 C CA . LYS A 1 19 ? 7.777 15.698 25.735 1.00 97.74 19 A 1 ATOM 137 C C . LYS A 1 19 ? 7.894 16.737 24.613 1.00 97.92 19 A 1 ATOM 138 O O . LYS A 1 19 ? 8.434 17.816 24.839 1.00 97.53 19 A 1 ATOM 139 C CB . LYS A 1 19 ? 9.026 14.803 25.750 1.00 97.23 19 A 1 ATOM 140 C CG . LYS A 1 19 ? 9.099 13.895 26.988 1.00 96.23 19 A 1 ATOM 141 C CD . LYS A 1 19 ? 10.312 12.961 26.908 1.00 94.01 19 A 1 ATOM 142 C CE . LYS A 1 19 ? 10.315 12.020 28.116 1.00 89.44 19 A 1 ATOM 143 N NZ . LYS A 1 19 ? 11.476 11.097 28.086 1.00 82.35 19 A 1 ATOM 144 N N . LEU A 1 20 ? 7.314 16.479 23.435 1.00 98.09 20 A 1 ATOM 145 C CA . LEU A 1 20 ? 7.295 17.451 22.330 1.00 98.06 20 A 1 ATOM 146 C C . LEU A 1 20 ? 6.457 18.705 22.640 1.00 97.86 20 A 1 ATOM 147 O O . LEU A 1 20 ? 6.517 19.688 21.901 1.00 97.41 20 A 1 ATOM 148 C CB . LEU A 1 20 ? 6.765 16.777 21.052 1.00 98.04 20 A 1 ATOM 149 C CG . LEU A 1 20 ? 7.495 15.495 20.612 1.00 97.72 20 A 1 ATOM 150 C CD1 . LEU A 1 20 ? 6.827 14.953 19.347 1.00 97.34 20 A 1 ATOM 151 C CD2 . LEU A 1 20 ? 8.969 15.742 20.319 1.00 97.05 20 A 1 ATOM 152 N N . SER A 1 21 ? 5.645 18.688 23.697 1.00 97.71 21 A 1 ATOM 153 C CA . SER A 1 21 ? 4.772 19.820 24.037 1.00 97.10 21 A 1 ATOM 154 C C . SER A 1 21 ? 5.521 21.025 24.611 1.00 96.89 21 A 1 ATOM 155 O O . SER A 1 21 ? 5.000 22.135 24.515 1.00 94.99 21 A 1 ATOM 156 C CB . SER A 1 21 ? 3.645 19.378 24.978 1.00 95.94 21 A 1 ATOM 157 O OG . SER A 1 21 ? 2.866 18.390 24.316 1.00 86.59 21 A 1 ATOM 158 N N . VAL A 1 22 ? 6.738 20.830 25.134 1.00 96.59 22 A 1 ATOM 159 C CA . VAL A 1 22 ? 7.573 21.924 25.671 1.00 95.92 22 A 1 ATOM 160 C C . VAL A 1 22 ? 8.317 22.704 24.581 1.00 96.38 22 A 1 ATOM 161 O O . VAL A 1 22 ? 8.829 23.785 24.847 1.00 94.11 22 A 1 ATOM 162 C CB . VAL A 1 22 ? 8.558 21.426 26.754 1.00 93.53 22 A 1 ATOM 163 C CG1 . VAL A 1 22 ? 7.837 20.612 27.839 1.00 82.82 22 A 1 ATOM 164 C CG2 . VAL A 1 22 ? 9.714 20.583 26.199 1.00 83.90 22 A 1 ATOM 165 N N . LEU A 1 23 ? 8.360 22.184 23.350 1.00 97.21 23 A 1 ATOM 166 C CA . LEU A 1 23 ? 9.033 22.858 22.238 1.00 97.19 23 A 1 ATOM 167 C C . LEU A 1 23 ? 8.359 24.193 21.878 1.00 97.01 23 A 1 ATOM 168 O O . LEU A 1 23 ? 7.124 24.303 21.911 1.00 96.31 23 A 1 ATOM 169 C CB . LEU A 1 23 ? 9.058 21.942 21.007 1.00 97.04 23 A 1 ATOM 170 C CG . LEU A 1 23 ? 10.000 20.733 21.113 1.00 96.43 23 A 1 ATOM 171 C CD1 . LEU A 1 23 ? 9.740 19.797 19.937 1.00 95.54 23 A 1 ATOM 172 C CD2 . LEU A 1 23 ? 11.467 21.166 21.080 1.00 95.27 23 A 1 ATOM 173 N N . PRO A 1 24 ? 9.138 25.193 21.417 1.00 96.89 24 A 1 ATOM 174 C CA . PRO A 1 24 ? 8.605 26.390 20.769 1.00 96.25 24 A 1 ATOM 175 C C . PRO A 1 24 ? 7.682 26.022 19.600 1.00 96.46 24 A 1 ATOM 176 O O . PRO A 1 24 ? 7.941 25.055 18.879 1.00 95.54 24 A 1 ATOM 177 C CB . PRO A 1 24 ? 9.826 27.182 20.291 1.00 94.79 24 A 1 ATOM 178 C CG . PRO A 1 24 ? 10.959 26.696 21.190 1.00 92.84 24 A 1 ATOM 179 C CD . PRO A 1 24 ? 10.591 25.237 21.447 1.00 95.96 24 A 1 ATOM 180 N N . LYS A 1 25 ? 6.613 26.812 19.369 1.00 95.83 25 A 1 ATOM 181 C CA . LYS A 1 25 ? 5.555 26.496 18.391 1.00 95.55 25 A 1 ATOM 182 C C . LYS A 1 25 ? 6.093 26.181 16.989 1.00 95.62 25 A 1 ATOM 183 O O . LYS A 1 25 ? 5.631 25.224 16.368 1.00 93.25 25 A 1 ATOM 184 C CB . LYS A 1 25 ? 4.535 27.647 18.355 1.00 93.84 25 A 1 ATOM 185 C CG . LYS A 1 25 ? 3.321 27.322 17.463 1.00 82.28 25 A 1 ATOM 186 C CD . LYS A 1 25 ? 2.290 28.455 17.470 1.00 78.56 25 A 1 ATOM 187 C CE . LYS A 1 25 ? 1.116 28.078 16.552 1.00 67.57 25 A 1 ATOM 188 N NZ . LYS A 1 25 ? 0.076 29.141 16.491 1.00 60.29 25 A 1 ATOM 189 N N . ASN A 1 26 ? 7.071 26.947 16.513 1.00 95.71 26 A 1 ATOM 190 C CA . ASN A 1 26 ? 7.694 26.776 15.192 1.00 95.10 26 A 1 ATOM 191 C C . ASN A 1 26 ? 8.414 25.426 15.025 1.00 95.37 26 A 1 ATOM 192 O O . ASN A 1 26 ? 8.435 24.889 13.923 1.00 92.93 26 A 1 ATOM 193 C CB . ASN A 1 26 ? 8.658 27.949 14.934 1.00 93.48 26 A 1 ATOM 194 C CG . ASN A 1 26 ? 9.794 28.041 15.946 1.00 87.16 26 A 1 ATOM 195 O OD1 . ASN A 1 26 ? 9.622 27.806 17.123 1.00 77.31 26 A 1 ATOM 196 N ND2 . ASN A 1 26 ? 10.980 28.402 15.513 1.00 77.11 26 A 1 ATOM 197 N N . HIS A 1 27 ? 8.950 24.856 16.105 1.00 95.78 27 A 1 ATOM 198 C CA . HIS A 1 27 ? 9.544 23.516 16.107 1.00 95.98 27 A 1 ATOM 199 C C . HIS A 1 27 ? 8.511 22.437 16.442 1.00 96.99 27 A 1 ATOM 200 O O . HIS A 1 27 ? 8.498 21.374 15.828 1.00 95.89 27 A 1 ATOM 201 C CB . HIS A 1 27 ? 10.722 23.479 17.091 1.00 94.17 27 A 1 ATOM 202 C CG . HIS A 1 27 ? 11.862 24.355 16.663 1.00 92.49 27 A 1 ATOM 203 N ND1 . HIS A 1 27 ? 12.690 24.128 15.582 1.00 80.27 27 A 1 ATOM 204 C CD2 . HIS A 1 27 ? 12.278 25.528 17.237 1.00 79.65 27 A 1 ATOM 205 C CE1 . HIS A 1 27 ? 13.579 25.135 15.514 1.00 81.97 27 A 1 ATOM 206 N NE2 . HIS A 1 27 ? 13.358 26.008 16.503 1.00 83.61 27 A 1 ATOM 207 N N . ARG A 1 28 ? 7.606 22.729 17.385 1.00 97.29 28 A 1 ATOM 208 C CA . ARG A 1 28 ? 6.642 21.769 17.933 1.00 97.41 28 A 1 ATOM 209 C C . ARG A 1 28 ? 5.695 21.200 16.881 1.00 97.51 28 A 1 ATOM 210 O O . ARG A 1 28 ? 5.529 19.985 16.832 1.00 97.13 28 A 1 ATOM 211 C CB . ARG A 1 28 ? 5.864 22.439 19.072 1.00 96.43 28 A 1 ATOM 212 C CG . ARG A 1 28 ? 4.909 21.470 19.766 1.00 93.14 28 A 1 ATOM 213 C CD . ARG A 1 28 ? 4.235 22.136 20.957 1.00 91.49 28 A 1 ATOM 214 N NE . ARG A 1 28 ? 3.356 23.242 20.549 1.00 84.78 28 A 1 ATOM 215 C CZ . ARG A 1 28 ? 3.298 24.453 21.073 1.00 81.46 28 A 1 ATOM 216 N NH1 . ARG A 1 28 ? 4.041 24.817 22.084 1.00 72.45 28 A 1 ATOM 217 N NH2 . ARG A 1 28 ? 2.474 25.319 20.580 1.00 74.85 28 A 1 ATOM 218 N N . GLU A 1 29 ? 5.066 22.061 16.073 1.00 97.09 29 A 1 ATOM 219 C CA . GLU A 1 29 ? 4.041 21.606 15.124 1.00 96.83 29 A 1 ATOM 220 C C . GLU A 1 29 ? 4.625 20.687 14.029 1.00 97.28 29 A 1 ATOM 221 O O . GLU A 1 29 ? 4.113 19.575 13.876 1.00 96.67 29 A 1 ATOM 222 C CB . GLU A 1 29 ? 3.250 22.791 14.539 1.00 95.70 29 A 1 ATOM 223 C CG . GLU A 1 29 ? 2.500 23.644 15.586 1.00 88.16 29 A 1 ATOM 224 C CD . GLU A 1 29 ? 1.611 22.842 16.533 1.00 78.15 29 A 1 ATOM 225 O OE1 . GLU A 1 29 ? 1.632 23.159 17.752 1.00 71.61 29 A 1 ATOM 226 O OE2 . GLU A 1 29 ? 0.928 21.914 16.063 1.00 71.42 29 A 1 ATOM 227 N N . PRO A 1 30 ? 5.736 21.037 13.340 1.00 97.05 30 A 1 ATOM 228 C CA . PRO A 1 30 ? 6.370 20.128 12.373 1.00 97.22 30 A 1 ATOM 229 C C . PRO A 1 30 ? 6.828 18.800 12.986 1.00 97.86 30 A 1 ATOM 230 O O . PRO A 1 30 ? 6.612 17.746 12.391 1.00 97.58 30 A 1 ATOM 231 C CB . PRO A 1 30 ? 7.562 20.900 11.796 1.00 96.10 30 A 1 ATOM 232 C CG . PRO A 1 30 ? 7.168 22.363 11.983 1.00 94.08 30 A 1 ATOM 233 C CD . PRO A 1 30 ? 6.387 22.342 13.291 1.00 96.60 30 A 1 ATOM 234 N N . ILE A 1 31 ? 7.426 18.830 14.180 1.00 98.17 31 A 1 ATOM 235 C CA . ILE A 1 31 ? 7.941 17.619 14.843 1.00 98.44 31 A 1 ATOM 236 C C . ILE A 1 31 ? 6.793 16.708 15.286 1.00 98.51 31 A 1 ATOM 237 O O . ILE A 1 31 ? 6.839 15.502 15.049 1.00 98.46 31 A 1 ATOM 238 C CB . ILE A 1 31 ? 8.885 17.992 16.010 1.00 98.40 31 A 1 ATOM 239 C CG1 . ILE A 1 31 ? 10.155 18.698 15.474 1.00 98.11 31 A 1 ATOM 240 C CG2 . ILE A 1 31 ? 9.288 16.741 16.812 1.00 98.05 31 A 1 ATOM 241 C CD1 . ILE A 1 31 ? 11.044 19.310 16.570 1.00 97.07 31 A 1 ATOM 242 N N . LYS A 1 32 ? 5.722 17.271 15.881 1.00 98.47 32 A 1 ATOM 243 C CA . LYS A 1 32 ? 4.517 16.506 16.235 1.00 98.43 32 A 1 ATOM 244 C C . LYS A 1 32 ? 3.848 15.898 15.000 1.00 98.43 32 A 1 ATOM 245 O O . LYS A 1 32 ? 3.411 14.752 15.069 1.00 98.30 32 A 1 ATOM 246 C CB . LYS A 1 32 ? 3.511 17.386 16.993 1.00 98.15 32 A 1 ATOM 247 C CG . LYS A 1 32 ? 3.889 17.569 18.470 1.00 95.48 32 A 1 ATOM 248 C CD . LYS A 1 32 ? 2.771 18.287 19.234 1.00 92.11 32 A 1 ATOM 249 C CE . LYS A 1 32 ? 3.052 18.187 20.735 1.00 83.24 32 A 1 ATOM 250 N NZ . LYS A 1 32 ? 1.900 18.626 21.564 1.00 75.98 32 A 1 ATOM 251 N N . GLY A 1 33 ? 3.787 16.634 13.895 1.00 98.01 33 A 1 ATOM 252 C CA . GLY A 1 33 ? 3.252 16.137 12.623 1.00 97.74 33 A 1 ATOM 253 C C . GLY A 1 33 ? 4.033 14.927 12.107 1.00 98.07 33 A 1 ATOM 254 O O . GLY A 1 33 ? 3.438 13.890 11.832 1.00 97.84 33 A 1 ATOM 255 N N . LEU A 1 34 ? 5.359 15.022 12.065 1.00 98.10 34 A 1 ATOM 256 C CA . LEU A 1 34 ? 6.227 13.902 11.671 1.00 98.20 34 A 1 ATOM 257 C C . LEU A 1 34 ? 6.065 12.688 12.592 1.00 98.42 34 A 1 ATOM 258 O O . LEU A 1 34 ? 5.928 11.573 12.103 1.00 98.27 34 A 1 ATOM 259 C CB . LEU A 1 34 ? 7.697 14.354 11.669 1.00 97.76 34 A 1 ATOM 260 C CG . LEU A 1 34 ? 8.105 15.231 10.474 1.00 94.86 34 A 1 ATOM 261 C CD1 . LEU A 1 34 ? 9.499 15.803 10.725 1.00 93.73 34 A 1 ATOM 262 C CD2 . LEU A 1 34 ? 8.148 14.429 9.170 1.00 93.61 34 A 1 ATOM 263 N N . PHE A 1 35 ? 6.045 12.901 13.912 1.00 98.50 35 A 1 ATOM 264 C CA . PHE A 1 35 ? 5.895 11.820 14.889 1.00 98.56 35 A 1 ATOM 265 C C . PHE A 1 35 ? 4.552 11.092 14.716 1.00 98.56 35 A 1 ATOM 266 O O . PHE A 1 35 ? 4.526 9.865 14.643 1.00 98.48 35 A 1 ATOM 267 C CB . PHE A 1 35 ? 6.053 12.400 16.299 1.00 98.46 35 A 1 ATOM 268 C CG . PHE A 1 35 ? 6.184 11.377 17.409 1.00 98.49 35 A 1 ATOM 269 C CD1 . PHE A 1 35 ? 5.098 10.570 17.789 1.00 97.91 35 A 1 ATOM 270 C CD2 . PHE A 1 35 ? 7.401 11.262 18.111 1.00 97.68 35 A 1 ATOM 271 C CE1 . PHE A 1 35 ? 5.228 9.654 18.849 1.00 97.38 35 A 1 ATOM 272 C CE2 . PHE A 1 35 ? 7.533 10.356 19.176 1.00 97.13 35 A 1 ATOM 273 C CZ . PHE A 1 35 ? 6.445 9.548 19.544 1.00 97.51 35 A 1 ATOM 274 N N . LYS A 1 36 ? 3.441 11.834 14.595 1.00 98.51 36 A 1 ATOM 275 C CA . LYS A 1 36 ? 2.111 11.241 14.386 1.00 98.42 36 A 1 ATOM 276 C C . LYS A 1 36 ? 2.027 10.474 13.067 1.00 98.46 36 A 1 ATOM 277 O O . LYS A 1 36 ? 1.595 9.326 13.071 1.00 98.30 36 A 1 ATOM 278 C CB . LYS A 1 36 ? 1.031 12.324 14.419 1.00 98.02 36 A 1 ATOM 279 C CG . LYS A 1 36 ? 0.724 12.813 15.840 1.00 90.62 36 A 1 ATOM 280 C CD . LYS A 1 36 ? -0.412 13.828 15.765 1.00 86.34 36 A 1 ATOM 281 C CE . LYS A 1 36 ? -0.877 14.245 17.153 1.00 73.37 36 A 1 ATOM 282 N NZ . LYS A 1 36 ? -2.112 15.065 17.059 1.00 66.80 36 A 1 ATOM 283 N N . SER A 1 37 ? 2.480 11.080 11.971 1.00 98.46 37 A 1 ATOM 284 C CA . SER A 1 37 ? 2.485 10.442 10.647 1.00 98.39 37 A 1 ATOM 285 C C . SER A 1 37 ? 3.309 9.151 10.648 1.00 98.47 37 A 1 ATOM 286 O O . SER A 1 37 ? 2.867 8.140 10.109 1.00 98.30 37 A 1 ATOM 287 C CB . SER A 1 37 ? 3.031 11.430 9.613 1.00 98.15 37 A 1 ATOM 288 O OG . SER A 1 37 ? 3.028 10.875 8.311 1.00 93.94 37 A 1 ATOM 289 N N . ALA A 1 38 ? 4.463 9.148 11.312 1.00 98.54 38 A 1 ATOM 290 C CA . ALA A 1 38 ? 5.293 7.954 11.445 1.00 98.58 38 A 1 ATOM 291 C C . ALA A 1 38 ? 4.573 6.835 12.217 1.00 98.59 38 A 1 ATOM 292 O O . ALA A 1 38 ? 4.563 5.690 11.769 1.00 98.58 38 A 1 ATOM 293 C CB . ALA A 1 38 ? 6.609 8.343 12.131 1.00 98.61 38 A 1 ATOM 294 N N . VAL A 1 39 ? 3.929 7.161 13.346 1.00 98.53 39 A 1 ATOM 295 C CA . VAL A 1 39 ? 3.183 6.179 14.160 1.00 98.42 39 A 1 ATOM 296 C C . VAL A 1 39 ? 2.010 5.592 13.378 1.00 98.39 39 A 1 ATOM 297 O O . VAL A 1 39 ? 1.831 4.374 13.361 1.00 98.22 39 A 1 ATOM 298 C CB . VAL A 1 39 ? 2.698 6.814 15.478 1.00 98.05 39 A 1 ATOM 299 C CG1 . VAL A 1 39 ? 1.744 5.902 16.262 1.00 96.55 39 A 1 ATOM 300 C CG2 . VAL A 1 39 ? 3.889 7.107 16.399 1.00 96.94 39 A 1 ATOM 301 N N . GLU A 1 40 ? 1.232 6.436 12.707 1.00 98.51 40 A 1 ATOM 302 C CA . GLU A 1 40 ? 0.073 6.006 11.920 1.00 98.36 40 A 1 ATOM 303 C C . GLU A 1 40 ? 0.493 5.121 10.738 1.00 98.33 40 A 1 ATOM 304 O O . GLU A 1 40 ? -0.067 4.041 10.537 1.00 98.06 40 A 1 ATOM 305 C CB . GLU A 1 40 ? -0.688 7.257 11.470 1.00 98.08 40 A 1 ATOM 306 C CG . GLU A 1 40 ? -2.027 6.917 10.804 1.00 89.16 40 A 1 ATOM 307 C CD . GLU A 1 40 ? -2.838 8.178 10.470 1.00 84.78 40 A 1 ATOM 308 O OE1 . GLU A 1 40 ? -4.064 8.041 10.276 1.00 81.53 40 A 1 ATOM 309 O OE2 . GLU A 1 40 ? -2.238 9.277 10.397 1.00 82.19 40 A 1 ATOM 310 N N . GLN A 1 41 ? 1.540 5.516 10.017 1.00 98.43 41 A 1 ATOM 311 C CA . GLN A 1 41 ? 2.091 4.732 8.908 1.00 98.41 41 A 1 ATOM 312 C C . GLN A 1 41 ? 2.659 3.383 9.372 1.00 98.29 41 A 1 ATOM 313 O O . GLN A 1 41 ? 2.410 2.358 8.736 1.00 97.98 41 A 1 ATOM 314 C CB . GLN A 1 41 ? 3.142 5.581 8.185 1.00 98.11 41 A 1 ATOM 315 C CG . GLN A 1 41 ? 3.753 4.868 6.966 1.00 97.53 41 A 1 ATOM 316 C CD . GLN A 1 41 ? 4.542 5.821 6.069 1.00 97.89 41 A 1 ATOM 317 O OE1 . GLN A 1 41 ? 4.443 7.036 6.141 1.00 94.53 41 A 1 ATOM 318 N NE2 . GLN A 1 41 ? 5.343 5.304 5.162 1.00 93.40 41 A 1 ATOM 319 N N . PHE A 1 42 ? 3.385 3.353 10.488 1.00 98.47 42 A 1 ATOM 320 C CA . PHE A 1 42 ? 3.923 2.109 11.050 1.00 98.29 42 A 1 ATOM 321 C C . PHE A 1 42 ? 2.808 1.148 11.484 1.00 97.97 42 A 1 ATOM 322 O O . PHE A 1 42 ? 2.894 -0.056 11.239 1.00 97.42 42 A 1 ATOM 323 C CB . PHE A 1 42 ? 4.842 2.448 12.228 1.00 98.20 42 A 1 ATOM 324 C CG . PHE A 1 42 ? 5.585 1.256 12.794 1.00 98.18 42 A 1 ATOM 325 C CD1 . PHE A 1 42 ? 5.006 0.464 13.800 1.00 97.30 42 A 1 ATOM 326 C CD2 . PHE A 1 42 ? 6.867 0.933 12.309 1.00 97.15 42 A 1 ATOM 327 C CE1 . PHE A 1 42 ? 5.704 -0.642 14.318 1.00 96.42 42 A 1 ATOM 328 C CE2 . PHE A 1 42 ? 7.568 -0.168 12.824 1.00 96.39 42 A 1 ATOM 329 C CZ . PHE A 1 42 ? 6.985 -0.956 13.827 1.00 96.58 42 A 1 ATOM 330 N N . SER A 1 43 ? 1.743 1.675 12.092 1.00 97.70 43 A 1 ATOM 331 C CA . SER A 1 43 ? 0.592 0.878 12.527 1.00 97.01 43 A 1 ATOM 332 C C . SER A 1 43 ? -0.192 0.314 11.338 1.00 96.64 43 A 1 ATOM 333 O O . SER A 1 43 ? -0.463 -0.888 11.294 1.00 95.12 43 A 1 ATOM 334 C CB . SER A 1 43 ? -0.310 1.738 13.418 1.00 95.89 43 A 1 ATOM 335 O OG . SER A 1 43 ? -1.316 0.936 14.000 1.00 80.67 43 A 1 ATOM 336 N N . SER A 1 44 ? -0.498 1.156 10.343 1.00 97.33 44 A 1 ATOM 337 C CA . SER A 1 44 ? -1.276 0.763 9.159 1.00 96.92 44 A 1 ATOM 338 C C . SER A 1 44 ? -0.505 -0.122 8.178 1.00 97.08 44 A 1 ATOM 339 O O . SER A 1 44 ? -1.118 -0.846 7.398 1.00 96.10 44 A 1 ATOM 340 C CB . SER A 1 44 ? -1.830 2.000 8.444 1.00 95.71 44 A 1 ATOM 341 O OG . SER A 1 44 ? -0.788 2.815 7.953 1.00 88.71 44 A 1 ATOM 342 N N . ALA A 1 45 ? 0.821 -0.170 8.255 1.00 97.99 45 A 1 ATOM 343 C CA . ALA A 1 45 ? 1.641 -1.063 7.430 1.00 97.94 45 A 1 ATOM 344 C C . ALA A 1 45 ? 1.257 -2.550 7.572 1.00 97.59 45 A 1 ATOM 345 O O . ALA A 1 45 ? 1.510 -3.347 6.665 1.00 96.59 45 A 1 ATOM 346 C CB . ALA A 1 45 ? 3.116 -0.843 7.794 1.00 97.85 45 A 1 ATOM 347 N N . ARG A 1 46 ? 0.608 -2.951 8.678 1.00 96.87 46 A 1 ATOM 348 C CA . ARG A 1 46 ? 0.091 -4.320 8.861 1.00 96.09 46 A 1 ATOM 349 C C . ARG A 1 46 ? -1.145 -4.614 8.004 1.00 96.67 46 A 1 ATOM 350 O O . ARG A 1 46 ? -1.429 -5.782 7.751 1.00 95.26 46 A 1 ATOM 351 C CB . ARG A 1 46 ? -0.226 -4.575 10.340 1.00 93.77 46 A 1 ATOM 352 C CG . ARG A 1 46 ? 1.042 -4.541 11.204 1.00 80.39 46 A 1 ATOM 353 C CD . ARG A 1 46 ? 0.705 -4.914 12.644 1.00 74.22 46 A 1 ATOM 354 N NE . ARG A 1 46 ? 1.912 -4.910 13.488 1.00 63.85 46 A 1 ATOM 355 C CZ . ARG A 1 46 ? 1.976 -5.266 14.760 1.00 56.51 46 A 1 ATOM 356 N NH1 . ARG A 1 46 ? 0.920 -5.674 15.409 1.00 50.71 46 A 1 ATOM 357 N NH2 . ARG A 1 46 ? 3.109 -5.209 15.400 1.00 49.22 46 A 1 ATOM 358 N N . ASP A 1 47 ? -1.866 -3.592 7.557 1.00 97.09 47 A 1 ATOM 359 C CA . ASP A 1 47 ? -3.117 -3.767 6.812 1.00 97.09 47 A 1 ATOM 360 C C . ASP A 1 47 ? -2.895 -4.303 5.391 1.00 97.58 47 A 1 ATOM 361 O O . ASP A 1 47 ? -3.806 -4.908 4.827 1.00 97.00 47 A 1 ATOM 362 C CB . ASP A 1 47 ? -3.932 -2.469 6.833 1.00 96.12 47 A 1 ATOM 363 C CG . ASP A 1 47 ? -4.427 -2.114 8.242 1.00 93.50 47 A 1 ATOM 364 O OD1 . ASP A 1 47 ? -4.711 -3.058 9.032 1.00 90.96 47 A 1 ATOM 365 O OD2 . ASP A 1 47 ? -4.569 -0.914 8.531 1.00 89.96 47 A 1 ATOM 366 N N . PHE A 1 48 ? -1.679 -4.205 4.848 1.00 98.01 48 A 1 ATOM 367 C CA . PHE A 1 48 ? -1.331 -4.849 3.576 1.00 98.13 48 A 1 ATOM 368 C C . PHE A 1 48 ? -1.531 -6.371 3.607 1.00 98.16 48 A 1 ATOM 369 O O . PHE A 1 48 ? -1.917 -6.948 2.596 1.00 97.75 48 A 1 ATOM 370 C CB . PHE A 1 48 ? 0.116 -4.521 3.196 1.00 98.04 48 A 1 ATOM 371 C CG . PHE A 1 48 ? 0.361 -3.061 2.892 1.00 98.21 48 A 1 ATOM 372 C CD1 . PHE A 1 48 ? -0.348 -2.425 1.856 1.00 97.58 48 A 1 ATOM 373 C CD2 . PHE A 1 48 ? 1.299 -2.331 3.639 1.00 97.63 48 A 1 ATOM 374 C CE1 . PHE A 1 48 ? -0.134 -1.067 1.577 1.00 97.02 48 A 1 ATOM 375 C CE2 . PHE A 1 48 ? 1.520 -0.971 3.363 1.00 97.05 48 A 1 ATOM 376 C CZ . PHE A 1 48 ? 0.797 -0.339 2.334 1.00 97.25 48 A 1 ATOM 377 N N . PHE A 1 49 ? -1.337 -7.020 4.760 1.00 98.04 49 A 1 ATOM 378 C CA . PHE A 1 49 ? -1.562 -8.464 4.913 1.00 97.84 49 A 1 ATOM 379 C C . PHE A 1 49 ? -3.048 -8.851 4.953 1.00 97.62 49 A 1 ATOM 380 O O . PHE A 1 49 ? -3.368 -10.034 4.854 1.00 96.58 49 A 1 ATOM 381 C CB . PHE A 1 49 ? -0.859 -8.965 6.180 1.00 97.69 49 A 1 ATOM 382 C CG . PHE A 1 49 ? 0.638 -8.745 6.193 1.00 97.66 49 A 1 ATOM 383 C CD1 . PHE A 1 49 ? 1.456 -9.388 5.247 1.00 96.66 49 A 1 ATOM 384 C CD2 . PHE A 1 49 ? 1.225 -7.907 7.157 1.00 96.78 49 A 1 ATOM 385 C CE1 . PHE A 1 49 ? 2.846 -9.205 5.265 1.00 95.98 49 A 1 ATOM 386 C CE2 . PHE A 1 49 ? 2.618 -7.721 7.183 1.00 96.03 49 A 1 ATOM 387 C CZ . PHE A 1 49 ? 3.429 -8.371 6.237 1.00 96.37 49 A 1 ATOM 388 N N . LYS A 1 50 ? -3.956 -7.888 5.104 1.00 97.73 50 A 1 ATOM 389 C CA . LYS A 1 50 ? -5.410 -8.110 5.081 1.00 97.35 50 A 1 ATOM 390 C C . LYS A 1 50 ? -5.995 -7.984 3.671 1.00 97.22 50 A 1 ATOM 391 O O . LYS A 1 50 ? -7.132 -8.396 3.459 1.00 95.91 50 A 1 ATOM 392 C CB . LYS A 1 50 ? -6.114 -7.120 6.016 1.00 96.59 50 A 1 ATOM 393 C CG . LYS A 1 50 ? -5.662 -7.210 7.484 1.00 93.05 50 A 1 ATOM 394 C CD . LYS A 1 50 ? -6.364 -6.109 8.282 1.00 88.48 50 A 1 ATOM 395 C CE . LYS A 1 50 ? -5.874 -6.054 9.731 1.00 80.95 50 A 1 ATOM 396 N NZ . LYS A 1 50 ? -6.244 -4.759 10.351 1.00 73.45 50 A 1 ATOM 397 N N . ASN A 1 51 ? -5.256 -7.406 2.730 1.00 96.96 51 A 1 ATOM 398 C CA . ASN A 1 51 ? -5.722 -7.267 1.355 1.00 96.78 51 A 1 ATOM 399 C C . ASN A 1 51 ? -5.612 -8.615 0.627 1.00 96.75 51 A 1 ATOM 400 O O . ASN A 1 51 ? -4.528 -9.035 0.225 1.00 95.76 51 A 1 ATOM 401 C CB . ASN A 1 51 ? -4.951 -6.135 0.659 1.00 96.13 51 A 1 ATOM 402 C CG . ASN A 1 51 ? -5.533 -5.820 -0.711 1.00 95.35 51 A 1 ATOM 403 O OD1 . ASN A 1 51 ? -6.055 -6.657 -1.420 1.00 90.42 51 A 1 ATOM 404 N ND2 . ASN A 1 51 ? -5.471 -4.574 -1.123 1.00 88.85 51 A 1 ATOM 405 N N . GLU A 1 52 ? -6.750 -9.266 0.424 1.00 96.41 52 A 1 ATOM 406 C CA . GLU A 1 52 ? -6.853 -10.591 -0.197 1.00 95.79 52 A 1 ATOM 407 C C . GLU A 1 52 ? -6.384 -10.612 -1.662 1.00 96.38 52 A 1 ATOM 408 O O . GLU A 1 52 ? -6.067 -11.674 -2.202 1.00 94.55 52 A 1 ATOM 409 C CB . GLU A 1 52 ? -8.308 -11.075 -0.130 1.00 94.04 52 A 1 ATOM 410 C CG . GLU A 1 52 ? -8.830 -11.218 1.313 1.00 84.86 52 A 1 ATOM 411 C CD . GLU A 1 52 ? -10.260 -11.773 1.384 1.00 75.94 52 A 1 ATOM 412 O OE1 . GLU A 1 52 ? -10.702 -12.071 2.515 1.00 69.67 52 A 1 ATOM 413 O OE2 . GLU A 1 52 ? -10.912 -11.911 0.319 1.00 71.56 52 A 1 ATOM 414 N N . ASN A 1 53 ? -6.315 -9.451 -2.314 1.00 96.93 53 A 1 ATOM 415 C CA . ASN A 1 53 ? -5.855 -9.371 -3.691 1.00 97.14 53 A 1 ATOM 416 C C . ASN A 1 53 ? -4.329 -9.431 -3.807 1.00 97.69 53 A 1 ATOM 417 O O . ASN A 1 53 ? -3.829 -9.906 -4.827 1.00 97.05 53 A 1 ATOM 418 C CB . ASN A 1 53 ? -6.405 -8.104 -4.356 1.00 96.56 53 A 1 ATOM 419 C CG . ASN A 1 53 ? -7.912 -8.141 -4.474 1.00 95.23 53 A 1 ATOM 420 O OD1 . ASN A 1 53 ? -8.483 -9.020 -5.108 1.00 89.18 53 A 1 ATOM 421 N ND2 . ASN A 1 53 ? -8.586 -7.193 -3.863 1.00 88.01 53 A 1 ATOM 422 N N . TYR A 1 54 ? -3.580 -8.962 -2.803 1.00 97.87 54 A 1 ATOM 423 C CA . TYR A 1 54 ? -2.123 -8.949 -2.893 1.00 98.08 54 A 1 ATOM 424 C C . TYR A 1 54 ? -1.545 -10.352 -2.712 1.00 97.98 54 A 1 ATOM 425 O O . TYR A 1 54 ? -1.968 -11.113 -1.843 1.00 97.32 54 A 1 ATOM 426 C CB . TYR A 1 54 ? -1.519 -7.957 -1.893 1.00 97.99 54 A 1 ATOM 427 C CG . TYR A 1 54 ? -1.937 -6.505 -2.072 1.00 98.20 54 A 1 ATOM 428 C CD1 . TYR A 1 54 ? -2.354 -6.007 -3.323 1.00 97.02 54 A 1 ATOM 429 C CD2 . TYR A 1 54 ? -1.905 -5.634 -0.969 1.00 97.01 54 A 1 ATOM 430 C CE1 . TYR A 1 54 ? -2.761 -4.669 -3.469 1.00 96.35 54 A 1 ATOM 431 C CE2 . TYR A 1 54 ? -2.302 -4.291 -1.102 1.00 96.57 54 A 1 ATOM 432 C CZ . TYR A 1 54 ? -2.740 -3.819 -2.353 1.00 97.33 54 A 1 ATOM 433 O OH . TYR A 1 54 ? -3.161 -2.522 -2.478 1.00 95.94 54 A 1 ATOM 434 N N . SER A 1 55 ? -0.529 -10.683 -3.511 1.00 97.64 55 A 1 ATOM 435 C CA . SER A 1 55 ? 0.313 -11.831 -3.195 1.00 97.57 55 A 1 ATOM 436 C C . SER A 1 55 ? 1.004 -11.612 -1.847 1.00 97.88 55 A 1 ATOM 437 O O . SER A 1 55 ? 1.206 -10.482 -1.393 1.00 97.88 55 A 1 ATOM 438 C CB . SER A 1 55 ? 1.349 -12.088 -4.298 1.00 97.04 55 A 1 ATOM 439 O OG . SER A 1 55 ? 2.313 -11.064 -4.347 1.00 94.64 55 A 1 ATOM 440 N N . LYS A 1 56 ? 1.398 -12.716 -1.206 1.00 97.93 56 A 1 ATOM 441 C CA . LYS A 1 56 ? 2.172 -12.643 0.039 1.00 97.88 56 A 1 ATOM 442 C C . LYS A 1 56 ? 3.443 -11.808 -0.141 1.00 98.18 56 A 1 ATOM 443 O O . LYS A 1 56 ? 3.739 -10.962 0.698 1.00 97.98 56 A 1 ATOM 444 C CB . LYS A 1 56 ? 2.479 -14.068 0.512 1.00 97.31 56 A 1 ATOM 445 C CG . LYS A 1 56 ? 3.218 -14.049 1.854 1.00 86.33 56 A 1 ATOM 446 C CD . LYS A 1 56 ? 3.532 -15.462 2.349 1.00 78.31 56 A 1 ATOM 447 C CE . LYS A 1 56 ? 4.404 -15.318 3.600 1.00 66.28 56 A 1 ATOM 448 N NZ . LYS A 1 56 ? 4.896 -16.616 4.109 1.00 58.35 56 A 1 ATOM 449 N N . GLU A 1 57 ? 4.145 -12.003 -1.258 1.00 97.69 57 A 1 ATOM 450 C CA . GLU A 1 57 ? 5.368 -11.264 -1.581 1.00 97.73 57 A 1 ATOM 451 C C . GLU A 1 57 ? 5.109 -9.759 -1.732 1.00 98.14 57 A 1 ATOM 452 O O . GLU A 1 57 ? 5.852 -8.942 -1.183 1.00 97.97 57 A 1 ATOM 453 C CB . GLU A 1 57 ? 5.958 -11.858 -2.869 1.00 97.45 57 A 1 ATOM 454 C CG . GLU A 1 57 ? 7.303 -11.225 -3.240 1.00 83.15 57 A 1 ATOM 455 C CD . GLU A 1 57 ? 7.941 -11.854 -4.486 1.00 71.95 57 A 1 ATOM 456 O OE1 . GLU A 1 57 ? 9.067 -11.417 -4.823 1.00 67.09 57 A 1 ATOM 457 O OE2 . GLU A 1 57 ? 7.331 -12.765 -5.082 1.00 68.41 57 A 1 ATOM 458 N N . LEU A 1 58 ? 4.016 -9.367 -2.402 1.00 98.06 58 A 1 ATOM 459 C CA . LEU A 1 58 ? 3.657 -7.958 -2.563 1.00 98.20 58 A 1 ATOM 460 C C . LEU A 1 58 ? 3.285 -7.318 -1.220 1.00 98.36 58 A 1 ATOM 461 O O . LEU A 1 58 ? 3.752 -6.222 -0.914 1.00 98.43 58 A 1 ATOM 462 C CB . LEU A 1 58 ? 2.517 -7.833 -3.584 1.00 98.12 58 A 1 ATOM 463 C CG . LEU A 1 58 ? 2.220 -6.368 -3.971 1.00 96.59 58 A 1 ATOM 464 C CD1 . LEU A 1 58 ? 3.379 -5.732 -4.741 1.00 95.04 58 A 1 ATOM 465 C CD2 . LEU A 1 58 ? 0.973 -6.301 -4.842 1.00 95.09 58 A 1 ATOM 466 N N . ALA A 1 59 ? 2.488 -8.004 -0.392 1.00 98.52 59 A 1 ATOM 467 C CA . ALA A 1 59 ? 2.118 -7.531 0.941 1.00 98.51 59 A 1 ATOM 468 C C . ALA A 1 59 ? 3.353 -7.353 1.845 1.00 98.51 59 A 1 ATOM 469 O O . ALA A 1 59 ? 3.478 -6.333 2.527 1.00 98.49 59 A 1 ATOM 470 C CB . ALA A 1 59 ? 1.107 -8.514 1.545 1.00 98.40 59 A 1 ATOM 471 N N . GLU A 1 60 ? 4.297 -8.299 1.810 1.00 98.58 60 A 1 ATOM 472 C CA . GLU A 1 60 ? 5.568 -8.211 2.538 1.00 98.54 60 A 1 ATOM 473 C C . GLU A 1 60 ? 6.429 -7.039 2.040 1.00 98.56 60 A 1 ATOM 474 O O . GLU A 1 60 ? 6.984 -6.290 2.850 1.00 98.49 60 A 1 ATOM 475 C CB . GLU A 1 60 ? 6.345 -9.534 2.407 1.00 98.40 60 A 1 ATOM 476 C CG . GLU A 1 60 ? 5.761 -10.650 3.293 1.00 88.38 60 A 1 ATOM 477 C CD . GLU A 1 60 ? 6.459 -12.015 3.133 1.00 79.36 60 A 1 ATOM 478 O OE1 . GLU A 1 60 ? 6.065 -12.958 3.869 1.00 76.09 60 A 1 ATOM 479 O OE2 . GLU A 1 60 ? 7.365 -12.159 2.289 1.00 76.94 60 A 1 ATOM 480 N N . LYS A 1 61 ? 6.495 -6.835 0.725 1.00 98.35 61 A 1 ATOM 481 C CA . LYS A 1 61 ? 7.210 -5.701 0.128 1.00 98.28 61 A 1 ATOM 482 C C . LYS A 1 61 ? 6.615 -4.367 0.580 1.00 98.41 61 A 1 ATOM 483 O O . LYS A 1 61 ? 7.345 -3.517 1.081 1.00 98.27 61 A 1 ATOM 484 C CB . LYS A 1 61 ? 7.208 -5.857 -1.402 1.00 98.04 61 A 1 ATOM 485 C CG . LYS A 1 61 ? 8.050 -4.788 -2.126 1.00 91.09 61 A 1 ATOM 486 C CD . LYS A 1 61 ? 8.044 -5.075 -3.633 1.00 88.36 61 A 1 ATOM 487 C CE . LYS A 1 61 ? 8.900 -4.077 -4.414 1.00 76.87 61 A 1 ATOM 488 N NZ . LYS A 1 61 ? 8.948 -4.435 -5.861 1.00 70.80 61 A 1 ATOM 489 N N . PHE A 1 62 ? 5.294 -4.203 0.473 1.00 98.44 62 A 1 ATOM 490 C CA . PHE A 1 62 ? 4.600 -2.985 0.894 1.00 98.43 62 A 1 ATOM 491 C C . PHE A 1 62 ? 4.746 -2.718 2.395 1.00 98.38 62 A 1 ATOM 492 O O . PHE A 1 62 ? 5.045 -1.592 2.787 1.00 98.27 62 A 1 ATOM 493 C CB . PHE A 1 62 ? 3.124 -3.081 0.504 1.00 98.37 62 A 1 ATOM 494 C CG . PHE A 1 62 ? 2.804 -2.956 -0.973 1.00 98.45 62 A 1 ATOM 495 C CD1 . PHE A 1 62 ? 3.778 -2.660 -1.945 1.00 97.55 62 A 1 ATOM 496 C CD2 . PHE A 1 62 ? 1.462 -3.088 -1.374 1.00 97.36 62 A 1 ATOM 497 C CE1 . PHE A 1 62 ? 3.422 -2.495 -3.290 1.00 96.95 62 A 1 ATOM 498 C CE2 . PHE A 1 62 ? 1.099 -2.923 -2.719 1.00 96.90 62 A 1 ATOM 499 C CZ . PHE A 1 62 ? 2.078 -2.624 -3.677 1.00 97.43 62 A 1 ATOM 500 N N . ASN A 1 63 ? 4.601 -3.751 3.227 1.00 98.60 63 A 1 ATOM 501 C CA . ASN A 1 63 ? 4.838 -3.639 4.663 1.00 98.54 63 A 1 ATOM 502 C C . ASN A 1 63 ? 6.254 -3.129 4.947 1.00 98.51 63 A 1 ATOM 503 O O . ASN A 1 63 ? 6.415 -2.147 5.670 1.00 98.42 63 A 1 ATOM 504 C CB . ASN A 1 63 ? 4.598 -5.005 5.319 1.00 98.39 63 A 1 ATOM 505 C CG . ASN A 1 63 ? 4.962 -4.978 6.793 1.00 97.63 63 A 1 ATOM 506 O OD1 . ASN A 1 63 ? 6.054 -5.336 7.196 1.00 91.55 63 A 1 ATOM 507 N ND2 . ASN A 1 63 ? 4.067 -4.520 7.636 1.00 91.06 63 A 1 ATOM 508 N N . LYS A 1 64 ? 7.265 -3.757 4.349 1.00 98.56 64 A 1 ATOM 509 C CA . LYS A 1 64 ? 8.664 -3.382 4.552 1.00 98.53 64 A 1 ATOM 510 C C . LYS A 1 64 ? 8.933 -1.931 4.157 1.00 98.59 64 A 1 ATOM 511 O O . LYS A 1 64 ? 9.570 -1.204 4.915 1.00 98.46 64 A 1 ATOM 512 C CB . LYS A 1 64 ? 9.551 -4.362 3.772 1.00 98.23 64 A 1 ATOM 513 C CG . LYS A 1 64 ? 11.047 -4.076 3.992 1.00 89.63 64 A 1 ATOM 514 C CD . LYS A 1 64 ? 11.900 -5.072 3.203 1.00 84.80 64 A 1 ATOM 515 C CE . LYS A 1 64 ? 13.378 -4.730 3.390 1.00 71.99 64 A 1 ATOM 516 N NZ . LYS A 1 64 ? 14.249 -5.632 2.592 1.00 63.09 64 A 1 ATOM 517 N N . GLU A 1 65 ? 8.437 -1.497 2.997 1.00 98.57 65 A 1 ATOM 518 C CA . GLU A 1 65 ? 8.657 -0.132 2.502 1.00 98.55 65 A 1 ATOM 519 C C . GLU A 1 65 ? 7.932 0.914 3.364 1.00 98.65 65 A 1 ATOM 520 O O . GLU A 1 65 ? 8.523 1.927 3.733 1.00 98.47 65 A 1 ATOM 521 C CB . GLU A 1 65 ? 8.202 -0.041 1.042 1.00 98.36 65 A 1 ATOM 522 C CG . GLU A 1 65 ? 9.007 -0.931 0.081 1.00 92.77 65 A 1 ATOM 523 C CD . GLU A 1 65 ? 10.439 -0.490 -0.214 1.00 82.59 65 A 1 ATOM 524 O OE1 . GLU A 1 65 ? 11.224 -1.334 -0.700 1.00 76.07 65 A 1 ATOM 525 O OE2 . GLU A 1 65 ? 10.736 0.713 -0.157 1.00 75.55 65 A 1 ATOM 526 N N . ALA A 1 66 ? 6.680 0.648 3.766 1.00 98.62 66 A 1 ATOM 527 C CA . ALA A 1 66 ? 5.927 1.540 4.645 1.00 98.62 66 A 1 ATOM 528 C C . ALA A 1 66 ? 6.557 1.639 6.046 1.00 98.67 66 A 1 ATOM 529 O O . ALA A 1 66 ? 6.630 2.728 6.615 1.00 98.61 66 A 1 ATOM 530 C CB . ALA A 1 66 ? 4.475 1.049 4.717 1.00 98.52 66 A 1 ATOM 531 N N . VAL A 1 67 ? 7.053 0.522 6.590 1.00 98.61 67 A 1 ATOM 532 C CA . VAL A 1 67 ? 7.785 0.501 7.864 1.00 98.64 67 A 1 ATOM 533 C C . VAL A 1 67 ? 9.090 1.288 7.761 1.00 98.68 67 A 1 ATOM 534 O O . VAL A 1 67 ? 9.379 2.080 8.654 1.00 98.66 67 A 1 ATOM 535 C CB . VAL A 1 67 ? 8.041 -0.947 8.330 1.00 98.41 67 A 1 ATOM 536 C CG1 . VAL A 1 67 ? 9.058 -1.040 9.480 1.00 97.26 67 A 1 ATOM 537 C CG2 . VAL A 1 67 ? 6.737 -1.584 8.829 1.00 97.46 67 A 1 ATOM 538 N N . ASN A 1 68 ? 9.855 1.121 6.682 1.00 98.58 68 A 1 ATOM 539 C CA . ASN A 1 68 ? 11.109 1.853 6.495 1.00 98.55 68 A 1 ATOM 540 C C . ASN A 1 68 ? 10.877 3.367 6.452 1.00 98.65 68 A 1 ATOM 541 O O . ASN A 1 68 ? 11.536 4.103 7.182 1.00 98.53 68 A 1 ATOM 542 C CB . ASN A 1 68 ? 11.805 1.369 5.214 1.00 98.28 68 A 1 ATOM 543 C CG . ASN A 1 68 ? 12.441 -0.008 5.324 1.00 91.67 68 A 1 ATOM 544 O OD1 . ASN A 1 68 ? 12.644 -0.588 6.377 1.00 86.04 68 A 1 ATOM 545 N ND2 . ASN A 1 68 ? 12.826 -0.563 4.192 1.00 85.73 68 A 1 ATOM 546 N N . GLU A 1 69 ? 9.893 3.839 5.679 1.00 98.52 69 A 1 ATOM 547 C CA . GLU A 1 69 ? 9.570 5.273 5.626 1.00 98.48 69 A 1 ATOM 548 C C . GLU A 1 69 ? 9.058 5.800 6.982 1.00 98.58 69 A 1 ATOM 549 O O . GLU A 1 69 ? 9.393 6.910 7.392 1.00 98.54 69 A 1 ATOM 550 C CB . GLU A 1 69 ? 8.555 5.544 4.502 1.00 98.18 69 A 1 ATOM 551 C CG . GLU A 1 69 ? 8.363 7.052 4.304 1.00 95.99 69 A 1 ATOM 552 C CD . GLU A 1 69 ? 7.421 7.403 3.152 1.00 95.34 69 A 1 ATOM 553 O OE1 . GLU A 1 69 ? 6.253 7.737 3.430 1.00 90.31 69 A 1 ATOM 554 O OE2 . GLU A 1 69 ? 7.869 7.399 1.993 1.00 90.36 69 A 1 ATOM 555 N N . ALA A 1 70 ? 8.279 4.999 7.723 1.00 98.68 70 A 1 ATOM 556 C CA . ALA A 1 70 ? 7.838 5.368 9.068 1.00 98.67 70 A 1 ATOM 557 C C . ALA A 1 70 ? 9.019 5.506 10.046 1.00 98.72 70 A 1 ATOM 558 O O . ALA A 1 70 ? 9.064 6.453 10.833 1.00 98.71 70 A 1 ATOM 559 C CB . ALA A 1 70 ? 6.825 4.328 9.558 1.00 98.63 70 A 1 ATOM 560 N N . VAL A 1 71 ? 9.998 4.599 9.966 1.00 98.73 71 A 1 ATOM 561 C CA . VAL A 1 71 ? 11.238 4.670 10.754 1.00 98.73 71 A 1 ATOM 562 C C . VAL A 1 71 ? 12.023 5.940 10.420 1.00 98.75 71 A 1 ATOM 563 O O . VAL A 1 71 ? 12.427 6.652 11.337 1.00 98.71 71 A 1 ATOM 564 C CB . VAL A 1 71 ? 12.095 3.403 10.539 1.00 98.59 71 A 1 ATOM 565 C CG1 . VAL A 1 71 ? 13.527 3.542 11.072 1.00 97.83 71 A 1 ATOM 566 C CG2 . VAL A 1 71 ? 11.462 2.202 11.262 1.00 97.94 71 A 1 ATOM 567 N N . GLU A 1 72 ? 12.175 6.281 9.137 1.00 98.75 72 A 1 ATOM 568 C CA . GLU A 1 72 ? 12.855 7.507 8.700 1.00 98.68 72 A 1 ATOM 569 C C . GLU A 1 72 ? 12.139 8.773 9.194 1.00 98.74 72 A 1 ATOM 570 O O . GLU A 1 72 ? 12.781 9.709 9.682 1.00 98.62 72 A 1 ATOM 571 C CB . GLU A 1 72 ? 12.943 7.527 7.172 1.00 98.42 72 A 1 ATOM 572 C CG . GLU A 1 72 ? 13.946 6.499 6.625 1.00 92.80 72 A 1 ATOM 573 C CD . GLU A 1 72 ? 13.985 6.458 5.089 1.00 86.26 72 A 1 ATOM 574 O OE1 . GLU A 1 72 ? 14.695 5.570 4.565 1.00 82.75 72 A 1 ATOM 575 O OE2 . GLU A 1 72 ? 13.328 7.313 4.447 1.00 83.63 72 A 1 ATOM 576 N N . LYS A 1 73 ? 10.799 8.802 9.139 1.00 98.61 73 A 1 ATOM 577 C CA . LYS A 1 73 ? 10.001 9.918 9.671 1.00 98.52 73 A 1 ATOM 578 C C . LYS A 1 73 ? 10.171 10.076 11.179 1.00 98.61 73 A 1 ATOM 579 O O . LYS A 1 73 ? 10.358 11.199 11.648 1.00 98.41 73 A 1 ATOM 580 C CB . LYS A 1 73 ? 8.519 9.708 9.347 1.00 97.82 73 A 1 ATOM 581 C CG . LYS A 1 73 ? 8.189 10.023 7.886 1.00 91.45 73 A 1 ATOM 582 C CD . LYS A 1 73 ? 6.726 9.659 7.625 1.00 92.55 73 A 1 ATOM 583 C CE . LYS A 1 73 ? 6.365 9.970 6.178 1.00 87.41 73 A 1 ATOM 584 N NZ . LYS A 1 73 ? 4.993 9.518 5.878 1.00 84.75 73 A 1 ATOM 585 N N . LEU A 1 74 ? 10.105 8.974 11.939 1.00 98.69 74 A 1 ATOM 586 C CA . LEU A 1 74 ? 10.306 9.024 13.386 1.00 98.68 74 A 1 ATOM 587 C C . LEU A 1 74 ? 11.735 9.452 13.718 1.00 98.66 74 A 1 ATOM 588 O O . LEU A 1 74 ? 11.907 10.330 14.558 1.00 98.65 74 A 1 ATOM 589 C CB . LEU A 1 74 ? 9.935 7.684 14.036 1.00 98.63 74 A 1 ATOM 590 C CG . LEU A 1 74 ? 9.988 7.737 15.581 1.00 98.34 74 A 1 ATOM 591 C CD1 . LEU A 1 74 ? 8.953 8.695 16.175 1.00 97.76 74 A 1 ATOM 592 C CD2 . LEU A 1 74 ? 9.730 6.350 16.169 1.00 97.56 74 A 1 ATOM 593 N N . GLN A 1 75 ? 12.740 8.915 13.016 1.00 98.74 75 A 1 ATOM 594 C CA . GLN A 1 75 ? 14.141 9.322 13.181 1.00 98.71 75 A 1 ATOM 595 C C . GLN A 1 75 ? 14.300 10.830 12.995 1.00 98.69 75 A 1 ATOM 596 O O . GLN A 1 75 ? 14.844 11.502 13.865 1.00 98.63 75 A 1 ATOM 597 C CB . GLN A 1 75 ? 15.024 8.550 12.185 1.00 98.58 75 A 1 ATOM 598 C CG . GLN A 1 75 ? 16.524 8.824 12.376 1.00 97.69 75 A 1 ATOM 599 C CD . GLN A 1 75 ? 17.037 8.265 13.708 1.00 98.24 75 A 1 ATOM 600 O OE1 . GLN A 1 75 ? 17.152 7.064 13.872 1.00 94.00 75 A 1 ATOM 601 N NE2 . GLN A 1 75 ? 17.333 9.093 14.678 1.00 92.45 75 A 1 ATOM 602 N N . LYS A 1 76 ? 13.732 11.378 11.910 1.00 98.66 76 A 1 ATOM 603 C CA . LYS A 1 76 ? 13.769 12.820 11.654 1.00 98.63 76 A 1 ATOM 604 C C . LYS A 1 76 ? 13.098 13.629 12.767 1.00 98.62 76 A 1 ATOM 605 O O . LYS A 1 76 ? 13.618 14.673 13.153 1.00 98.46 76 A 1 ATOM 606 C CB . LYS A 1 76 ? 13.131 13.085 10.287 1.00 98.49 76 A 1 ATOM 607 C CG . LYS A 1 76 ? 13.247 14.555 9.856 1.00 91.33 76 A 1 ATOM 608 C CD . LYS A 1 76 ? 12.663 14.728 8.452 1.00 87.98 76 A 1 ATOM 609 C CE . LYS A 1 76 ? 12.791 16.184 7.996 1.00 75.94 76 A 1 ATOM 610 N NZ . LYS A 1 76 ? 12.278 16.351 6.608 1.00 69.45 76 A 1 ATOM 611 N N . ALA A 1 77 ? 11.957 13.174 13.284 1.00 98.64 77 A 1 ATOM 612 C CA . ALA A 1 77 ? 11.265 13.841 14.391 1.00 98.58 77 A 1 ATOM 613 C C . ALA A 1 77 ? 12.101 13.821 15.683 1.00 98.55 77 A 1 ATOM 614 O O . ALA A 1 77 ? 12.231 14.856 16.339 1.00 98.42 77 A 1 ATOM 615 C CB . ALA A 1 77 ? 9.895 13.184 14.596 1.00 98.51 77 A 1 ATOM 616 N N . ILE A 1 78 ? 12.687 12.669 16.013 1.00 98.59 78 A 1 ATOM 617 C CA . ILE A 1 78 ? 13.560 12.487 17.181 1.00 98.48 78 A 1 ATOM 618 C C . ILE A 1 78 ? 14.809 13.361 17.059 1.00 98.47 78 A 1 ATOM 619 O O . ILE A 1 78 ? 15.056 14.168 17.949 1.00 98.34 78 A 1 ATOM 620 C CB . ILE A 1 78 ? 13.885 10.990 17.383 1.00 98.10 78 A 1 ATOM 621 C CG1 . ILE A 1 78 ? 12.632 10.152 17.745 1.00 96.11 78 A 1 ATOM 622 C CG2 . ILE A 1 78 ? 14.982 10.773 18.443 1.00 96.46 78 A 1 ATOM 623 C CD1 . ILE A 1 78 ? 11.898 10.529 19.032 1.00 88.92 78 A 1 ATOM 624 N N . ASP A 1 79 ? 15.517 13.308 15.925 1.00 98.55 79 A 1 ATOM 625 C CA . ASP A 1 79 ? 16.737 14.096 15.699 1.00 98.54 79 A 1 ATOM 626 C C . ASP A 1 79 ? 16.484 15.608 15.816 1.00 98.51 79 A 1 ATOM 627 O O . ASP A 1 79 ? 17.300 16.357 16.361 1.00 98.31 79 A 1 ATOM 628 C CB . ASP A 1 79 ? 17.281 13.822 14.287 1.00 98.48 79 A 1 ATOM 629 C CG . ASP A 1 79 ? 17.832 12.418 14.030 1.00 97.30 79 A 1 ATOM 630 O OD1 . ASP A 1 79 ? 17.971 11.623 14.978 1.00 94.12 79 A 1 ATOM 631 O OD2 . ASP A 1 79 ? 18.133 12.157 12.842 1.00 94.27 79 A 1 ATOM 632 N N . LEU A 1 80 ? 15.337 16.087 15.293 1.00 98.33 80 A 1 ATOM 633 C CA . LEU A 1 80 ? 14.951 17.497 15.403 1.00 98.17 80 A 1 ATOM 634 C C . LEU A 1 80 ? 14.647 17.892 16.853 1.00 98.07 80 A 1 ATOM 635 O O . LEU A 1 80 ? 15.013 18.990 17.267 1.00 97.83 80 A 1 ATOM 636 C CB . LEU A 1 80 ? 13.732 17.776 14.511 1.00 98.12 80 A 1 ATOM 637 C CG . LEU A 1 80 ? 14.030 17.832 13.000 1.00 97.22 80 A 1 ATOM 638 C CD1 . LEU A 1 80 ? 12.707 17.899 12.236 1.00 96.20 80 A 1 ATOM 639 C CD2 . LEU A 1 80 ? 14.862 19.056 12.616 1.00 96.00 80 A 1 ATOM 640 N N . ALA A 1 81 ? 13.987 17.025 17.618 1.00 98.24 81 A 1 ATOM 641 C CA . ALA A 1 81 ? 13.661 17.280 19.019 1.00 98.12 81 A 1 ATOM 642 C C . ALA A 1 81 ? 14.902 17.204 19.927 1.00 98.02 81 A 1 ATOM 643 O O . ALA A 1 81 ? 15.078 18.064 20.791 1.00 97.90 81 A 1 ATOM 644 C CB . ALA A 1 81 ? 12.567 16.298 19.436 1.00 98.05 81 A 1 ATOM 645 N N . GLU A 1 82 ? 15.803 16.247 19.688 1.00 98.23 82 A 1 ATOM 646 C CA . GLU A 1 82 ? 17.085 16.126 20.398 1.00 98.07 82 A 1 ATOM 647 C C . GLU A 1 82 ? 17.969 17.364 20.180 1.00 97.80 82 A 1 ATOM 648 O O . GLU A 1 82 ? 18.548 17.883 21.135 1.00 97.29 82 A 1 ATOM 649 C CB . GLU A 1 82 ? 17.821 14.850 19.953 1.00 98.03 82 A 1 ATOM 650 C CG . GLU A 1 82 ? 17.168 13.570 20.504 1.00 97.25 82 A 1 ATOM 651 C CD . GLU A 1 82 ? 17.900 12.280 20.100 1.00 96.89 82 A 1 ATOM 652 O OE1 . GLU A 1 82 ? 17.751 11.273 20.836 1.00 93.52 82 A 1 ATOM 653 O OE2 . GLU A 1 82 ? 18.607 12.272 19.066 1.00 93.88 82 A 1 ATOM 654 N N . LYS A 1 83 ? 17.981 17.937 18.961 1.00 97.71 83 A 1 ATOM 655 C CA . LYS A 1 83 ? 18.651 19.222 18.682 1.00 97.39 83 A 1 ATOM 656 C C . LYS A 1 83 ? 18.082 20.395 19.486 1.00 96.97 83 A 1 ATOM 657 O O . LYS A 1 83 ? 18.784 21.386 19.670 1.00 95.55 83 A 1 ATOM 658 C CB . LYS A 1 83 ? 18.558 19.540 17.186 1.00 96.93 83 A 1 ATOM 659 C CG . LYS A 1 83 ? 19.532 18.694 16.359 1.00 88.10 83 A 1 ATOM 660 C CD . LYS A 1 83 ? 19.284 18.924 14.866 1.00 84.59 83 A 1 ATOM 661 C CE . LYS A 1 83 ? 20.208 17.998 14.066 1.00 73.10 83 A 1 ATOM 662 N NZ . LYS A 1 83 ? 19.980 18.117 12.604 1.00 66.20 83 A 1 ATOM 663 N N . GLN A 1 84 ? 16.835 20.309 19.942 1.00 97.43 84 A 1 ATOM 664 C CA . GLN A 1 84 ? 16.195 21.286 20.837 1.00 97.07 84 A 1 ATOM 665 C C . GLN A 1 84 ? 16.350 20.920 22.328 1.00 97.01 84 A 1 ATOM 666 O O . GLN A 1 84 ? 15.735 21.558 23.178 1.00 95.83 84 A 1 ATOM 667 C CB . GLN A 1 84 ? 14.719 21.462 20.447 1.00 96.56 84 A 1 ATOM 668 C CG . GLN A 1 84 ? 14.498 21.937 19.004 1.00 94.66 84 A 1 ATOM 669 C CD . GLN A 1 84 ? 15.147 23.287 18.704 1.00 92.18 84 A 1 ATOM 670 O OE1 . GLN A 1 84 ? 14.862 24.290 19.331 1.00 82.29 84 A 1 ATOM 671 N NE2 . GLN A 1 84 ? 16.029 23.345 17.733 1.00 79.89 84 A 1 ATOM 672 N N . GLY A 1 85 ? 17.156 19.909 22.656 1.00 96.82 85 A 1 ATOM 673 C CA . GLY A 1 85 ? 17.474 19.501 24.028 1.00 96.64 85 A 1 ATOM 674 C C . GLY A 1 85 ? 16.486 18.517 24.663 1.00 97.13 85 A 1 ATOM 675 O O . GLY A 1 85 ? 16.549 18.300 25.873 1.00 96.13 85 A 1 ATOM 676 N N . ILE A 1 86 ? 15.573 17.912 23.887 1.00 97.68 86 A 1 ATOM 677 C CA . ILE A 1 86 ? 14.668 16.879 24.410 1.00 97.78 86 A 1 ATOM 678 C C . ILE A 1 86 ? 15.409 15.546 24.505 1.00 97.74 86 A 1 ATOM 679 O O . ILE A 1 86 ? 16.047 15.102 23.555 1.00 97.27 86 A 1 ATOM 680 C CB . ILE A 1 86 ? 13.373 16.770 23.582 1.00 97.52 86 A 1 ATOM 681 C CG1 . ILE A 1 86 ? 12.631 18.126 23.651 1.00 95.72 86 A 1 ATOM 682 C CG2 . ILE A 1 86 ? 12.477 15.623 24.096 1.00 96.35 86 A 1 ATOM 683 C CD1 . ILE A 1 86 ? 11.265 18.144 22.980 1.00 86.84 86 A 1 ATOM 684 N N . GLN A 1 87 ? 15.261 14.879 25.645 1.00 97.54 87 A 1 ATOM 685 C CA . GLN A 1 87 ? 15.761 13.522 25.857 1.00 97.30 87 A 1 ATOM 686 C C . GLN A 1 87 ? 14.598 12.531 25.871 1.00 97.24 87 A 1 ATOM 687 O O . GLN A 1 87 ? 13.640 12.690 26.634 1.00 96.29 87 A 1 ATOM 688 C CB . GLN A 1 87 ? 16.568 13.442 27.152 1.00 96.48 87 A 1 ATOM 689 C CG . GLN A 1 87 ? 17.875 14.246 27.071 1.00 89.00 87 A 1 ATOM 690 C CD . GLN A 1 87 ? 18.721 14.122 28.337 1.00 82.64 87 A 1 ATOM 691 O OE1 . GLN A 1 87 ? 18.350 13.511 29.325 1.00 74.00 87 A 1 ATOM 692 N NE2 . GLN A 1 87 ? 19.895 14.710 28.346 1.00 70.05 87 A 1 ATOM 693 N N . PHE A 1 88 ? 14.689 11.495 25.048 1.00 97.03 88 A 1 ATOM 694 C CA . PHE A 1 88 ? 13.702 10.424 24.963 1.00 96.72 88 A 1 ATOM 695 C C . PHE A 1 88 ? 14.148 9.197 25.757 1.00 95.95 88 A 1 ATOM 696 O O . PHE A 1 88 ? 15.342 8.951 25.932 1.00 93.88 88 A 1 ATOM 697 C CB . PHE A 1 88 ? 13.430 10.091 23.500 1.00 96.69 88 A 1 ATOM 698 C CG . PHE A 1 88 ? 12.864 11.261 22.724 1.00 97.60 88 A 1 ATOM 699 C CD1 . PHE A 1 88 ? 11.507 11.600 22.852 1.00 97.07 88 A 1 ATOM 700 C CD2 . PHE A 1 88 ? 13.699 12.034 21.898 1.00 97.25 88 A 1 ATOM 701 C CE1 . PHE A 1 88 ? 10.983 12.694 22.148 1.00 96.90 88 A 1 ATOM 702 C CE2 . PHE A 1 88 ? 13.180 13.130 21.193 1.00 96.98 88 A 1 ATOM 703 C CZ . PHE A 1 88 ? 11.817 13.458 21.316 1.00 97.42 88 A 1 ATOM 704 N N . LEU A 1 89 ? 13.166 8.442 26.226 1.00 94.61 89 A 1 ATOM 705 C CA . LEU A 1 89 ? 13.376 7.162 26.895 1.00 93.86 89 A 1 ATOM 706 C C . LEU A 1 89 ? 12.928 6.035 25.971 1.00 93.56 89 A 1 ATOM 707 O O . LEU A 1 89 ? 11.900 6.141 25.300 1.00 91.73 89 A 1 ATOM 708 C CB . LEU A 1 89 ? 12.621 7.134 28.233 1.00 91.51 89 A 1 ATOM 709 C CG . LEU A 1 89 ? 13.106 8.180 29.259 1.00 83.62 89 A 1 ATOM 710 C CD1 . LEU A 1 89 ? 12.193 8.167 30.475 1.00 78.02 89 A 1 ATOM 711 C CD2 . LEU A 1 89 ? 14.543 7.910 29.722 1.00 76.21 89 A 1 ATOM 712 N N . GLU A 1 90 ? 13.686 4.951 25.963 1.00 93.58 90 A 1 ATOM 713 C CA . GLU A 1 90 ? 13.289 3.703 25.314 1.00 92.77 90 A 1 ATOM 714 C C . GLU A 1 90 ? 12.544 2.850 26.341 1.00 91.28 90 A 1 ATOM 715 O O . GLU A 1 90 ? 13.116 2.399 27.332 1.00 87.26 90 A 1 ATOM 716 C CB . GLU A 1 90 ? 14.527 3.027 24.710 1.00 89.66 90 A 1 ATOM 717 C CG . GLU A 1 90 ? 14.158 1.833 23.819 1.00 77.80 90 A 1 ATOM 718 C CD . GLU A 1 90 ? 15.314 1.371 22.920 1.00 77.16 90 A 1 ATOM 719 O OE1 . GLU A 1 90 ? 15.013 0.749 21.871 1.00 70.39 90 A 1 ATOM 720 O OE2 . GLU A 1 90 ? 16.491 1.661 23.227 1.00 72.74 90 A 1 ATOM 721 N N . HIS A 1 91 ? 11.228 2.693 26.134 1.00 90.69 91 A 1 ATOM 722 C CA . HIS A 1 91 ? 10.374 1.923 27.031 1.00 88.29 91 A 1 ATOM 723 C C . HIS A 1 91 ? 10.415 0.457 26.617 1.00 85.36 91 A 1 ATOM 724 O O . HIS A 1 91 ? 9.596 -0.008 25.820 1.00 78.48 91 A 1 ATOM 725 C CB . HIS A 1 91 ? 8.951 2.491 27.041 1.00 83.79 91 A 1 ATOM 726 C CG . HIS A 1 91 ? 8.872 3.848 27.677 1.00 73.17 91 A 1 ATOM 727 N ND1 . HIS A 1 91 ? 9.197 5.057 27.092 1.00 63.19 91 A 1 ATOM 728 C CD2 . HIS A 1 91 ? 8.490 4.118 28.961 1.00 61.39 91 A 1 ATOM 729 C CE1 . HIS A 1 91 ? 9.019 6.028 27.999 1.00 59.69 91 A 1 ATOM 730 N NE2 . HIS A 1 91 ? 8.582 5.496 29.147 1.00 59.52 91 A 1 ATOM 731 N N . HIS A 1 92 ? 11.359 -0.283 27.170 1.00 83.09 92 A 1 ATOM 732 C CA . HIS A 1 92 ? 11.296 -1.731 27.083 1.00 79.35 92 A 1 ATOM 733 C C . HIS A 1 92 ? 10.065 -2.195 27.860 1.00 75.49 92 A 1 ATOM 734 O O . HIS A 1 92 ? 9.921 -1.901 29.047 1.00 65.86 92 A 1 ATOM 735 C CB . HIS A 1 92 ? 12.586 -2.366 27.606 1.00 72.16 92 A 1 ATOM 736 C CG . HIS A 1 92 ? 13.802 -1.951 26.819 1.00 64.05 92 A 1 ATOM 737 N ND1 . HIS A 1 92 ? 13.998 -2.094 25.458 1.00 57.06 92 A 1 ATOM 738 C CD2 . HIS A 1 92 ? 14.916 -1.331 27.322 1.00 54.61 92 A 1 ATOM 739 C CE1 . HIS A 1 92 ? 15.204 -1.570 25.156 1.00 52.82 92 A 1 ATOM 740 N NE2 . HIS A 1 92 ? 15.792 -1.109 26.265 1.00 52.95 92 A 1 ATOM 741 N N . HIS A 1 93 ? 9.163 -2.947 27.196 1.00 69.14 93 A 1 ATOM 742 C CA . HIS A 1 93 ? 8.219 -3.774 27.929 1.00 66.79 93 A 1 ATOM 743 C C . HIS A 1 93 ? 9.045 -4.799 28.710 1.00 64.38 93 A 1 ATOM 744 O O . HIS A 1 93 ? 9.432 -5.843 28.182 1.00 58.18 93 A 1 ATOM 745 C CB . HIS A 1 93 ? 7.209 -4.437 26.983 1.00 60.98 93 A 1 ATOM 746 C CG . HIS A 1 93 ? 6.136 -3.493 26.507 1.00 54.26 93 A 1 ATOM 747 N ND1 . HIS A 1 93 ? 5.116 -2.970 27.279 1.00 49.83 93 A 1 ATOM 748 C CD2 . HIS A 1 93 ? 5.963 -2.999 25.238 1.00 46.68 93 A 1 ATOM 749 C CE1 . HIS A 1 93 ? 4.356 -2.187 26.494 1.00 44.41 93 A 1 ATOM 750 N NE2 . HIS A 1 93 ? 4.836 -2.184 25.249 1.00 44.43 93 A 1 ATOM 751 N N . HIS A 1 94 ? 9.346 -4.474 29.963 1.00 61.43 94 A 1 ATOM 752 C CA . HIS A 1 94 ? 9.761 -5.496 30.897 1.00 60.84 94 A 1 ATOM 753 C C . HIS A 1 94 ? 8.584 -6.466 30.995 1.00 58.38 94 A 1 ATOM 754 O O . HIS A 1 94 ? 7.522 -6.126 31.514 1.00 52.92 94 A 1 ATOM 755 C CB . HIS A 1 94 ? 10.146 -4.881 32.247 1.00 56.41 94 A 1 ATOM 756 C CG . HIS A 1 94 ? 11.488 -4.195 32.209 1.00 49.83 94 A 1 ATOM 757 N ND1 . HIS A 1 94 ? 12.717 -4.826 32.188 1.00 45.99 94 A 1 ATOM 758 C CD2 . HIS A 1 94 ? 11.739 -2.848 32.183 1.00 43.01 94 A 1 ATOM 759 C CE1 . HIS A 1 94 ? 13.676 -3.884 32.155 1.00 41.15 94 A 1 ATOM 760 N NE2 . HIS A 1 94 ? 13.120 -2.670 32.151 1.00 41.74 94 A 1 ATOM 761 N N . HIS A 1 95 ? 8.773 -7.674 30.445 1.00 57.18 95 A 1 ATOM 762 C CA . HIS A 1 95 ? 8.013 -8.818 30.902 1.00 58.60 95 A 1 ATOM 763 C C . HIS A 1 95 ? 8.353 -8.987 32.387 1.00 56.85 95 A 1 ATOM 764 O O . HIS A 1 95 ? 9.363 -9.598 32.735 1.00 52.01 95 A 1 ATOM 765 C CB . HIS A 1 95 ? 8.369 -10.067 30.075 1.00 54.83 95 A 1 ATOM 766 C CG . HIS A 1 95 ? 7.771 -10.065 28.694 1.00 49.22 95 A 1 ATOM 767 N ND1 . HIS A 1 95 ? 6.457 -10.353 28.389 1.00 45.46 95 A 1 ATOM 768 C CD2 . HIS A 1 95 ? 8.406 -9.815 27.502 1.00 42.68 95 A 1 ATOM 769 C CE1 . HIS A 1 95 ? 6.307 -10.281 27.055 1.00 42.22 95 A 1 ATOM 770 N NE2 . HIS A 1 95 ? 7.470 -9.957 26.480 1.00 42.46 95 A 1 ATOM 771 N N . HIS A 1 96 ? 7.540 -8.342 33.220 1.00 55.88 96 A 1 ATOM 772 C CA . HIS A 1 96 ? 7.338 -8.810 34.583 1.00 56.53 96 A 1 ATOM 773 C C . HIS A 1 96 ? 6.346 -9.976 34.548 1.00 53.27 96 A 1 ATOM 774 O O . HIS A 1 96 ? 5.388 -9.916 33.751 1.00 48.20 96 A 1 ATOM 775 C CB . HIS A 1 96 ? 6.865 -7.661 35.480 1.00 51.40 96 A 1 ATOM 776 C CG . HIS A 1 96 ? 7.993 -6.733 35.882 1.00 47.65 96 A 1 ATOM 777 N ND1 . HIS A 1 96 ? 9.052 -7.090 36.679 1.00 43.78 96 A 1 ATOM 778 C CD2 . HIS A 1 96 ? 8.168 -5.412 35.571 1.00 40.88 96 A 1 ATOM 779 C CE1 . HIS A 1 96 ? 9.848 -6.011 36.829 1.00 41.34 96 A 1 ATOM 780 N NE2 . HIS A 1 96 ? 9.333 -4.974 36.179 1.00 44.84 96 A 1 ATOM 781 O OXT . HIS A 1 96 ? 6.546 -10.920 35.336 1.00 43.16 96 A 1 ATOM 782 N N . MET B 2 1 ? -3.456 -12.639 -26.314 1.00 90.09 1 B 1 ATOM 783 C CA . MET B 2 1 ? -3.552 -11.165 -26.206 1.00 94.52 1 B 1 ATOM 784 C C . MET B 2 1 ? -2.584 -10.697 -25.128 1.00 96.82 1 B 1 ATOM 785 O O . MET B 2 1 ? -2.583 -11.263 -24.041 1.00 96.37 1 B 1 ATOM 786 C CB . MET B 2 1 ? -5.002 -10.767 -25.900 1.00 89.32 1 B 1 ATOM 787 C CG . MET B 2 1 ? -5.204 -9.252 -25.812 1.00 84.51 1 B 1 ATOM 788 S SD . MET B 2 1 ? -6.943 -8.816 -25.510 1.00 83.30 1 B 1 ATOM 789 C CE . MET B 2 1 ? -7.616 -8.873 -27.192 1.00 72.25 1 B 1 ATOM 790 N N . LYS B 2 2 ? -1.734 -9.692 -25.413 1.00 95.20 2 B 1 ATOM 791 C CA . LYS B 2 2 ? -0.758 -9.175 -24.441 1.00 96.60 2 B 1 ATOM 792 C C . LYS B 2 2 ? -1.383 -8.062 -23.609 1.00 97.23 2 B 1 ATOM 793 O O . LYS B 2 2 ? -1.798 -7.041 -24.161 1.00 96.65 2 B 1 ATOM 794 C CB . LYS B 2 2 ? 0.520 -8.718 -25.159 1.00 95.79 2 B 1 ATOM 795 C CG . LYS B 2 2 ? 1.610 -8.310 -24.152 1.00 84.49 2 B 1 ATOM 796 C CD . LYS B 2 2 ? 2.904 -7.896 -24.864 1.00 76.24 2 B 1 ATOM 797 C CE . LYS B 2 2 ? 3.941 -7.481 -23.813 1.00 64.19 2 B 1 ATOM 798 N NZ . LYS B 2 2 ? 5.221 -7.051 -24.432 1.00 56.28 2 B 1 ATOM 799 N N . ILE B 2 3 ? -1.408 -8.247 -22.285 1.00 97.51 3 B 1 ATOM 800 C CA . ILE B 2 3 ? -1.919 -7.253 -21.339 1.00 97.72 3 B 1 ATOM 801 C C . ILE B 2 3 ? -0.784 -6.312 -20.920 1.00 97.80 3 B 1 ATOM 802 O O . ILE B 2 3 ? 0.347 -6.735 -20.681 1.00 97.50 3 B 1 ATOM 803 C CB . ILE B 2 3 ? -2.594 -7.927 -20.128 1.00 97.50 3 B 1 ATOM 804 C CG1 . ILE B 2 3 ? -3.543 -9.084 -20.519 1.00 95.66 3 B 1 ATOM 805 C CG2 . ILE B 2 3 ? -3.349 -6.882 -19.287 1.00 96.80 3 B 1 ATOM 806 C CD1 . ILE B 2 3 ? -4.626 -8.728 -21.534 1.00 89.45 3 B 1 ATOM 807 N N . THR B 2 4 ? -1.106 -5.027 -20.826 1.00 97.77 4 B 1 ATOM 808 C CA . THR B 2 4 ? -0.226 -3.962 -20.327 1.00 97.45 4 B 1 ATOM 809 C C . THR B 2 4 ? -1.030 -3.033 -19.413 1.00 97.52 4 B 1 ATOM 810 O O . THR B 2 4 ? -2.260 -3.101 -19.371 1.00 97.23 4 B 1 ATOM 811 C CB . THR B 2 4 ? 0.390 -3.151 -21.482 1.00 96.83 4 B 1 ATOM 812 O OG1 . THR B 2 4 ? -0.606 -2.441 -22.174 1.00 94.60 4 B 1 ATOM 813 C CG2 . THR B 2 4 ? 1.144 -4.010 -22.501 1.00 93.86 4 B 1 ATOM 814 N N . SER B 2 5 ? -0.370 -2.130 -18.694 1.00 97.38 5 B 1 ATOM 815 C CA . SER B 2 5 ? -1.081 -1.120 -17.898 1.00 97.01 5 B 1 ATOM 816 C C . SER B 2 5 ? -1.940 -0.176 -18.756 1.00 96.78 5 B 1 ATOM 817 O O . SER B 2 5 ? -2.970 0.301 -18.293 1.00 96.03 5 B 1 ATOM 818 C CB . SER B 2 5 ? -0.080 -0.308 -17.073 1.00 96.40 5 B 1 ATOM 819 O OG . SER B 2 5 ? 0.938 0.221 -17.904 1.00 87.72 5 B 1 ATOM 820 N N . SER B 2 6 ? -1.550 0.058 -20.008 1.00 96.39 6 B 1 ATOM 821 C CA . SER B 2 6 ? -2.252 0.969 -20.921 1.00 95.64 6 B 1 ATOM 822 C C . SER B 2 6 ? -3.521 0.372 -21.534 1.00 95.50 6 B 1 ATOM 823 O O . SER B 2 6 ? -4.494 1.093 -21.717 1.00 94.12 6 B 1 ATOM 824 C CB . SER B 2 6 ? -1.309 1.436 -22.035 1.00 94.60 6 B 1 ATOM 825 O OG . SER B 2 6 ? -0.716 0.348 -22.712 1.00 84.17 6 B 1 ATOM 826 N N . ASN B 2 7 ? -3.547 -0.933 -21.821 1.00 96.60 7 B 1 ATOM 827 C CA . ASN B 2 7 ? -4.726 -1.599 -22.390 1.00 96.55 7 B 1 ATOM 828 C C . ASN B 2 7 ? -5.544 -2.397 -21.359 1.00 97.06 7 B 1 ATOM 829 O O . ASN B 2 7 ? -6.587 -2.948 -21.702 1.00 96.77 7 B 1 ATOM 830 C CB . ASN B 2 7 ? -4.324 -2.424 -23.622 1.00 96.00 7 B 1 ATOM 831 C CG . ASN B 2 7 ? -3.569 -3.707 -23.320 1.00 96.36 7 B 1 ATOM 832 O OD1 . ASN B 2 7 ? -3.238 -4.038 -22.200 1.00 94.20 7 B 1 ATOM 833 N ND2 . ASN B 2 7 ? -3.276 -4.474 -24.346 1.00 93.79 7 B 1 ATOM 834 N N . PHE B 2 8 ? -5.122 -2.438 -20.094 1.00 97.17 8 B 1 ATOM 835 C CA . PHE B 2 8 ? -5.801 -3.192 -19.040 1.00 97.48 8 B 1 ATOM 836 C C . PHE B 2 8 ? -7.305 -2.889 -18.977 1.00 97.24 8 B 1 ATOM 837 O O . PHE B 2 8 ? -8.126 -3.806 -19.002 1.00 96.76 8 B 1 ATOM 838 C CB . PHE B 2 8 ? -5.128 -2.893 -17.693 1.00 97.79 8 B 1 ATOM 839 C CG . PHE B 2 8 ? -5.649 -3.730 -16.547 1.00 98.27 8 B 1 ATOM 840 C CD1 . PHE B 2 8 ? -6.873 -3.423 -15.931 1.00 98.09 8 B 1 ATOM 841 C CD2 . PHE B 2 8 ? -4.907 -4.837 -16.095 1.00 98.06 8 B 1 ATOM 842 C CE1 . PHE B 2 8 ? -7.364 -4.228 -14.887 1.00 97.99 8 B 1 ATOM 843 C CE2 . PHE B 2 8 ? -5.389 -5.638 -15.050 1.00 97.96 8 B 1 ATOM 844 C CZ . PHE B 2 8 ? -6.623 -5.340 -14.451 1.00 98.24 8 B 1 ATOM 845 N N . ALA B 2 9 ? -7.668 -1.608 -18.938 1.00 96.63 9 B 1 ATOM 846 C CA . ALA B 2 9 ? -9.065 -1.184 -18.828 1.00 96.09 9 B 1 ATOM 847 C C . ALA B 2 9 ? -9.902 -1.513 -20.082 1.00 96.03 9 B 1 ATOM 848 O O . ALA B 2 9 ? -11.110 -1.708 -19.970 1.00 95.01 9 B 1 ATOM 849 C CB . ALA B 2 9 ? -9.087 0.317 -18.521 1.00 94.93 9 B 1 ATOM 850 N N . THR B 2 10 ? -9.277 -1.598 -21.262 1.00 96.45 10 B 1 ATOM 851 C CA . THR B 2 10 ? -9.973 -1.924 -22.520 1.00 96.02 10 B 1 ATOM 852 C C . THR B 2 10 ? -10.228 -3.425 -22.660 1.00 96.17 10 B 1 ATOM 853 O O . THR B 2 10 ? -11.170 -3.830 -23.338 1.00 95.40 10 B 1 ATOM 854 C CB . THR B 2 10 ? -9.211 -1.395 -23.748 1.00 94.95 10 B 1 ATOM 855 O OG1 . THR B 2 10 ? -7.971 -2.042 -23.900 1.00 89.51 10 B 1 ATOM 856 C CG2 . THR B 2 10 ? -8.915 0.107 -23.661 1.00 88.08 10 B 1 ATOM 857 N N . ILE B 2 11 ? -9.445 -4.253 -21.972 1.00 97.02 11 B 1 ATOM 858 C CA . ILE B 2 11 ? -9.574 -5.718 -21.969 1.00 96.96 11 B 1 ATOM 859 C C . ILE B 2 11 ? -10.396 -6.207 -20.768 1.00 97.13 11 B 1 ATOM 860 O O . ILE B 2 11 ? -11.223 -7.111 -20.911 1.00 97.01 11 B 1 ATOM 861 C CB . ILE B 2 11 ? -8.174 -6.359 -22.013 1.00 96.64 11 B 1 ATOM 862 C CG1 . ILE B 2 11 ? -7.460 -5.980 -23.334 1.00 94.23 11 B 1 ATOM 863 C CG2 . ILE B 2 11 ? -8.263 -7.894 -21.881 1.00 94.69 11 B 1 ATOM 864 C CD1 . ILE B 2 11 ? -5.948 -6.227 -23.308 1.00 85.08 11 B 1 ATOM 865 N N . ALA B 2 12 ? -10.207 -5.614 -19.580 1.00 97.33 12 B 1 ATOM 866 C CA . ALA B 2 12 ? -10.913 -5.967 -18.347 1.00 97.05 12 B 1 ATOM 867 C C . ALA B 2 12 ? -12.354 -5.417 -18.319 1.00 96.77 12 B 1 ATOM 868 O O . ALA B 2 12 ? -12.763 -4.721 -17.392 1.00 96.12 12 B 1 ATOM 869 C CB . ALA B 2 12 ? -10.068 -5.535 -17.148 1.00 96.87 12 B 1 ATOM 870 N N . THR B 2 13 ? -13.133 -5.735 -19.348 1.00 96.85 13 B 1 ATOM 871 C CA . THR B 2 13 ? -14.514 -5.272 -19.519 1.00 96.48 13 B 1 ATOM 872 C C . THR B 2 13 ? -15.522 -6.307 -19.020 1.00 96.68 13 B 1 ATOM 873 O O . THR B 2 13 ? -15.242 -7.505 -18.949 1.00 96.63 13 B 1 ATOM 874 C CB . THR B 2 13 ? -14.808 -4.905 -20.982 1.00 95.93 13 B 1 ATOM 875 O OG1 . THR B 2 13 ? -14.793 -6.061 -21.782 1.00 94.78 13 B 1 ATOM 876 C CG2 . THR B 2 13 ? -13.803 -3.901 -21.553 1.00 94.49 13 B 1 ATOM 877 N N . SER B 2 14 ? -16.745 -5.858 -18.714 1.00 95.59 14 B 1 ATOM 878 C CA . SER B 2 14 ? -17.850 -6.753 -18.342 1.00 95.44 14 B 1 ATOM 879 C C . SER B 2 14 ? -18.189 -7.748 -19.455 1.00 95.87 14 B 1 ATOM 880 O O . SER B 2 14 ? -18.521 -8.897 -19.166 1.00 95.65 14 B 1 ATOM 881 C CB . SER B 2 14 ? -19.101 -5.936 -18.010 1.00 94.24 14 B 1 ATOM 882 O OG . SER B 2 14 ? -18.829 -5.045 -16.944 1.00 82.31 14 B 1 ATOM 883 N N . GLU B 2 15 ? -18.062 -7.341 -20.718 1.00 96.29 15 B 1 ATOM 884 C CA . GLU B 2 15 ? -18.301 -8.210 -21.870 1.00 96.08 15 B 1 ATOM 885 C C . GLU B 2 15 ? -17.268 -9.341 -21.942 1.00 96.70 15 B 1 ATOM 886 O O . GLU B 2 15 ? -17.631 -10.517 -22.027 1.00 96.58 15 B 1 ATOM 887 C CB . GLU B 2 15 ? -18.283 -7.369 -23.152 1.00 95.16 15 B 1 ATOM 888 C CG . GLU B 2 15 ? -18.767 -8.198 -24.353 1.00 81.94 15 B 1 ATOM 889 C CD . GLU B 2 15 ? -18.643 -7.450 -25.679 1.00 73.73 15 B 1 ATOM 890 O OE1 . GLU B 2 15 ? -18.409 -8.144 -26.696 1.00 66.91 15 B 1 ATOM 891 O OE2 . GLU B 2 15 ? -18.752 -6.207 -25.673 1.00 68.37 15 B 1 ATOM 892 N N . ASN B 2 16 ? -15.979 -9.019 -21.823 1.00 96.94 16 B 1 ATOM 893 C CA . ASN B 2 16 ? -14.922 -10.028 -21.803 1.00 97.17 16 B 1 ATOM 894 C C . ASN B 2 16 ? -15.041 -10.953 -20.583 1.00 97.51 16 B 1 ATOM 895 O O . ASN B 2 16 ? -14.886 -12.164 -20.712 1.00 97.53 16 B 1 ATOM 896 C CB . ASN B 2 16 ? -13.558 -9.329 -21.883 1.00 97.08 16 B 1 ATOM 897 C CG . ASN B 2 16 ? -13.188 -8.911 -23.302 1.00 96.90 16 B 1 ATOM 898 O OD1 . ASN B 2 16 ? -13.628 -9.484 -24.288 1.00 94.47 16 B 1 ATOM 899 N ND2 . ASN B 2 16 ? -12.307 -7.941 -23.433 1.00 94.14 16 B 1 ATOM 900 N N . PHE B 2 17 ? -15.407 -10.422 -19.407 1.00 97.74 17 B 1 ATOM 901 C CA . PHE B 2 17 ? -15.663 -11.235 -18.216 1.00 97.79 17 B 1 ATOM 902 C C . PHE B 2 17 ? -16.845 -12.201 -18.414 1.00 97.87 17 B 1 ATOM 903 O O . PHE B 2 17 ? -16.781 -13.353 -17.972 1.00 97.89 17 B 1 ATOM 904 C CB . PHE B 2 17 ? -15.903 -10.324 -17.010 1.00 97.68 17 B 1 ATOM 905 C CG . PHE B 2 17 ? -16.099 -11.100 -15.724 1.00 97.70 17 B 1 ATOM 906 C CD1 . PHE B 2 17 ? -17.389 -11.301 -15.202 1.00 97.13 17 B 1 ATOM 907 C CD2 . PHE B 2 17 ? -14.988 -11.660 -15.070 1.00 97.19 17 B 1 ATOM 908 C CE1 . PHE B 2 17 ? -17.566 -12.048 -14.026 1.00 96.52 17 B 1 ATOM 909 C CE2 . PHE B 2 17 ? -15.159 -12.410 -13.894 1.00 96.53 17 B 1 ATOM 910 C CZ . PHE B 2 17 ? -16.449 -12.604 -13.373 1.00 96.75 17 B 1 ATOM 911 N N . ALA B 2 18 ? -17.906 -11.772 -19.107 1.00 97.58 18 B 1 ATOM 912 C CA . ALA B 2 18 ? -19.074 -12.609 -19.387 1.00 97.41 18 B 1 ATOM 913 C C . ALA B 2 18 ? -18.715 -13.836 -20.247 1.00 97.46 18 B 1 ATOM 914 O O . ALA B 2 18 ? -19.233 -14.929 -19.993 1.00 97.04 18 B 1 ATOM 915 C CB . ALA B 2 18 ? -20.156 -11.744 -20.038 1.00 96.83 18 B 1 ATOM 916 N N . LYS B 2 19 ? -17.753 -13.712 -21.167 1.00 97.68 19 B 1 ATOM 917 C CA . LYS B 2 19 ? -17.247 -14.827 -21.991 1.00 97.65 19 B 1 ATOM 918 C C . LYS B 2 19 ? -16.669 -15.975 -21.154 1.00 97.80 19 B 1 ATOM 919 O O . LYS B 2 19 ? -16.767 -17.130 -21.561 1.00 97.37 19 B 1 ATOM 920 C CB . LYS B 2 19 ? -16.187 -14.317 -22.980 1.00 97.08 19 B 1 ATOM 921 C CG . LYS B 2 19 ? -16.758 -13.335 -24.019 1.00 95.98 19 B 1 ATOM 922 C CD . LYS B 2 19 ? -15.643 -12.790 -24.916 1.00 93.68 19 B 1 ATOM 923 C CE . LYS B 2 19 ? -16.223 -11.762 -25.891 1.00 89.58 19 B 1 ATOM 924 N NZ . LYS B 2 19 ? -15.183 -11.234 -26.805 1.00 82.97 19 B 1 ATOM 925 N N . LEU B 2 20 ? -16.158 -15.700 -19.950 1.00 98.01 20 B 1 ATOM 926 C CA . LEU B 2 20 ? -15.663 -16.743 -19.038 1.00 97.93 20 B 1 ATOM 927 C C . LEU B 2 20 ? -16.776 -17.674 -18.520 1.00 97.69 20 B 1 ATOM 928 O O . LEU B 2 20 ? -16.488 -18.706 -17.918 1.00 97.25 20 B 1 ATOM 929 C CB . LEU B 2 20 ? -14.935 -16.095 -17.848 1.00 97.94 20 B 1 ATOM 930 C CG . LEU B 2 20 ? -13.791 -15.125 -18.201 1.00 97.62 20 B 1 ATOM 931 C CD1 . LEU B 2 20 ? -13.201 -14.560 -16.906 1.00 97.26 20 B 1 ATOM 932 C CD2 . LEU B 2 20 ? -12.681 -15.809 -18.987 1.00 96.99 20 B 1 ATOM 933 N N . SER B 2 21 ? -18.044 -17.323 -18.707 1.00 97.55 21 B 1 ATOM 934 C CA . SER B 2 21 ? -19.168 -18.124 -18.202 1.00 96.88 21 B 1 ATOM 935 C C . SER B 2 21 ? -19.398 -19.419 -18.985 1.00 96.66 21 B 1 ATOM 936 O O . SER B 2 21 ? -19.979 -20.346 -18.425 1.00 94.60 21 B 1 ATOM 937 C CB . SER B 2 21 ? -20.450 -17.289 -18.143 1.00 95.60 21 B 1 ATOM 938 O OG . SER B 2 21 ? -20.236 -16.192 -17.260 1.00 86.07 21 B 1 ATOM 939 N N . VAL B 2 22 ? -18.907 -19.514 -20.228 1.00 96.29 22 B 1 ATOM 940 C CA . VAL B 2 22 ? -19.027 -20.727 -21.059 1.00 95.56 22 B 1 ATOM 941 C C . VAL B 2 22 ? -17.984 -21.798 -20.716 1.00 96.11 22 B 1 ATOM 942 O O . VAL B 2 22 ? -18.124 -22.943 -21.136 1.00 93.75 22 B 1 ATOM 943 C CB . VAL B 2 22 ? -19.001 -20.405 -22.571 1.00 92.95 22 B 1 ATOM 944 C CG1 . VAL B 2 22 ? -20.018 -19.308 -22.931 1.00 82.40 22 B 1 ATOM 945 C CG2 . VAL B 2 22 ? -17.620 -19.978 -23.093 1.00 83.53 22 B 1 ATOM 946 N N . LEU B 2 23 ? -16.956 -21.453 -19.940 1.00 97.07 23 B 1 ATOM 947 C CA . LEU B 2 23 ? -15.917 -22.402 -19.544 1.00 97.01 23 B 1 ATOM 948 C C . LEU B 2 23 ? -16.472 -23.528 -18.658 1.00 96.86 23 B 1 ATOM 949 O O . LEU B 2 23 ? -17.345 -23.288 -17.809 1.00 96.16 23 B 1 ATOM 950 C CB . LEU B 2 23 ? -14.790 -21.668 -18.802 1.00 96.83 23 B 1 ATOM 951 C CG . LEU B 2 23 ? -13.910 -20.763 -19.680 1.00 96.25 23 B 1 ATOM 952 C CD1 . LEU B 2 23 ? -13.012 -19.918 -18.781 1.00 95.26 23 B 1 ATOM 953 C CD2 . LEU B 2 23 ? -13.030 -21.589 -20.618 1.00 95.01 23 B 1 ATOM 954 N N . PRO B 2 24 ? -15.902 -24.754 -18.756 1.00 96.55 24 B 1 ATOM 955 C CA . PRO B 2 24 ? -16.126 -25.814 -17.779 1.00 95.81 24 B 1 ATOM 956 C C . PRO B 2 24 ? -15.821 -25.332 -16.356 1.00 96.05 24 B 1 ATOM 957 O O . PRO B 2 24 ? -14.890 -24.554 -16.143 1.00 95.18 24 B 1 ATOM 958 C CB . PRO B 2 24 ? -15.196 -26.961 -18.196 1.00 94.19 24 B 1 ATOM 959 C CG . PRO B 2 24 ? -14.951 -26.710 -19.685 1.00 92.42 24 B 1 ATOM 960 C CD . PRO B 2 24 ? -14.981 -25.192 -19.789 1.00 95.53 24 B 1 ATOM 961 N N . LYS B 2 25 ? -16.579 -25.822 -15.351 1.00 95.57 25 B 1 ATOM 962 C CA . LYS B 2 25 ? -16.508 -25.333 -13.961 1.00 95.31 25 B 1 ATOM 963 C C . LYS B 2 25 ? -15.088 -25.331 -13.385 1.00 95.38 25 B 1 ATOM 964 O O . LYS B 2 25 ? -14.701 -24.356 -12.739 1.00 92.83 25 B 1 ATOM 965 C CB . LYS B 2 25 ? -17.470 -26.150 -13.080 1.00 93.46 25 B 1 ATOM 966 C CG . LYS B 2 25 ? -17.563 -25.596 -11.648 1.00 82.18 25 B 1 ATOM 967 C CD . LYS B 2 25 ? -18.559 -26.389 -10.789 1.00 78.49 25 B 1 ATOM 968 C CE . LYS B 2 25 ? -18.594 -25.801 -9.371 1.00 67.89 25 B 1 ATOM 969 N NZ . LYS B 2 25 ? -19.527 -26.530 -8.473 1.00 61.00 25 B 1 ATOM 970 N N . ASN B 2 26 ? -14.313 -26.381 -13.640 1.00 95.25 26 B 1 ATOM 971 C CA . ASN B 2 26 ? -12.935 -26.534 -13.159 1.00 94.74 26 B 1 ATOM 972 C C . ASN B 2 26 ? -11.976 -25.461 -13.707 1.00 95.14 26 B 1 ATOM 973 O O . ASN B 2 26 ? -11.045 -25.072 -13.005 1.00 92.89 26 B 1 ATOM 974 C CB . ASN B 2 26 ? -12.431 -27.949 -13.505 1.00 92.90 26 B 1 ATOM 975 C CG . ASN B 2 26 ? -12.403 -28.242 -15.003 1.00 86.29 26 B 1 ATOM 976 O OD1 . ASN B 2 26 ? -13.270 -27.839 -15.750 1.00 77.15 26 B 1 ATOM 977 N ND2 . ASN B 2 26 ? -11.412 -28.969 -15.472 1.00 77.01 26 B 1 ATOM 978 N N . HIS B 2 27 ? -12.219 -24.949 -14.914 1.00 95.34 27 B 1 ATOM 979 C CA . HIS B 2 27 ? -11.464 -23.835 -15.490 1.00 95.59 27 B 1 ATOM 980 C C . HIS B 2 27 ? -12.091 -22.485 -15.133 1.00 96.70 27 B 1 ATOM 981 O O . HIS B 2 27 ? -11.383 -21.530 -14.815 1.00 95.51 27 B 1 ATOM 982 C CB . HIS B 2 27 ? -11.367 -24.013 -17.011 1.00 93.58 27 B 1 ATOM 983 C CG . HIS B 2 27 ? -10.552 -25.213 -17.401 1.00 92.10 27 B 1 ATOM 984 N ND1 . HIS B 2 27 ? -9.188 -25.347 -17.235 1.00 80.36 27 B 1 ATOM 985 C CD2 . HIS B 2 27 ? -10.998 -26.382 -17.961 1.00 79.54 27 B 1 ATOM 986 C CE1 . HIS B 2 27 ? -8.826 -26.560 -17.687 1.00 81.80 27 B 1 ATOM 987 N NE2 . HIS B 2 27 ? -9.901 -27.219 -18.133 1.00 83.58 27 B 1 ATOM 988 N N . ARG B 2 28 ? -13.429 -22.411 -15.139 1.00 97.19 28 B 1 ATOM 989 C CA . ARG B 2 28 ? -14.190 -21.170 -14.965 1.00 97.32 28 B 1 ATOM 990 C C . ARG B 2 28 ? -13.929 -20.481 -13.631 1.00 97.41 28 B 1 ATOM 991 O O . ARG B 2 28 ? -13.670 -19.282 -13.627 1.00 97.06 28 B 1 ATOM 992 C CB . ARG B 2 28 ? -15.682 -21.469 -15.147 1.00 96.34 28 B 1 ATOM 993 C CG . ARG B 2 28 ? -16.534 -20.201 -15.087 1.00 93.02 28 B 1 ATOM 994 C CD . ARG B 2 28 ? -17.991 -20.511 -15.381 1.00 91.31 28 B 1 ATOM 995 N NE . ARG B 2 28 ? -18.590 -21.369 -14.351 1.00 85.03 28 B 1 ATOM 996 C CZ . ARG B 2 28 ? -19.300 -22.470 -14.535 1.00 82.11 28 B 1 ATOM 997 N NH1 . ARG B 2 28 ? -19.577 -22.941 -15.722 1.00 72.55 28 B 1 ATOM 998 N NH2 . ARG B 2 28 ? -19.752 -23.112 -13.508 1.00 75.53 28 B 1 ATOM 999 N N . GLU B 2 29 ? -14.013 -21.217 -12.516 1.00 96.98 29 B 1 ATOM 1000 C CA . GLU B 2 29 ? -13.906 -20.603 -11.187 1.00 96.75 29 B 1 ATOM 1001 C C . GLU B 2 29 ? -12.508 -20.006 -10.928 1.00 97.22 29 B 1 ATOM 1002 O O . GLU B 2 29 ? -12.436 -18.820 -10.595 1.00 96.62 29 B 1 ATOM 1003 C CB . GLU B 2 29 ? -14.343 -21.577 -10.077 1.00 95.66 29 B 1 ATOM 1004 C CG . GLU B 2 29 ? -15.803 -22.071 -10.196 1.00 87.96 29 B 1 ATOM 1005 C CD . GLU B 2 29 ? -16.836 -20.960 -10.351 1.00 77.42 29 B 1 ATOM 1006 O OE1 . GLU B 2 29 ? -17.756 -21.143 -11.196 1.00 71.23 29 B 1 ATOM 1007 O OE2 . GLU B 2 29 ? -16.716 -19.936 -9.656 1.00 71.07 29 B 1 ATOM 1008 N N . PRO B 2 30 ? -11.383 -20.721 -11.180 1.00 96.76 30 B 1 ATOM 1009 C CA . PRO B 2 30 ? -10.042 -20.138 -11.044 1.00 96.97 30 B 1 ATOM 1010 C C . PRO B 2 30 ? -9.807 -18.926 -11.953 1.00 97.71 30 B 1 ATOM 1011 O O . PRO B 2 30 ? -9.248 -17.924 -11.507 1.00 97.40 30 B 1 ATOM 1012 C CB . PRO B 2 30 ? -9.062 -21.268 -11.378 1.00 95.70 30 B 1 ATOM 1013 C CG . PRO B 2 30 ? -9.853 -22.537 -11.064 1.00 93.69 30 B 1 ATOM 1014 C CD . PRO B 2 30 ? -11.276 -22.154 -11.449 1.00 96.22 30 B 1 ATOM 1015 N N . ILE B 2 31 ? -10.252 -18.991 -13.212 1.00 98.12 31 B 1 ATOM 1016 C CA . ILE B 2 31 ? -10.046 -17.904 -14.183 1.00 98.38 31 B 1 ATOM 1017 C C . ILE B 2 31 ? -10.870 -16.668 -13.806 1.00 98.47 31 B 1 ATOM 1018 O O . ILE B 2 31 ? -10.346 -15.556 -13.815 1.00 98.42 31 B 1 ATOM 1019 C CB . ILE B 2 31 ? -10.336 -18.390 -15.620 1.00 98.33 31 B 1 ATOM 1020 C CG1 . ILE B 2 31 ? -9.313 -19.473 -16.044 1.00 98.01 31 B 1 ATOM 1021 C CG2 . ILE B 2 31 ? -10.290 -17.219 -16.619 1.00 97.96 31 B 1 ATOM 1022 C CD1 . ILE B 2 31 ? -9.655 -20.181 -17.366 1.00 96.92 31 B 1 ATOM 1023 N N . LYS B 2 32 ? -12.149 -16.848 -13.412 1.00 98.44 32 B 1 ATOM 1024 C CA . LYS B 2 32 ? -12.986 -15.746 -12.913 1.00 98.40 32 B 1 ATOM 1025 C C . LYS B 2 32 ? -12.402 -15.117 -11.650 1.00 98.41 32 B 1 ATOM 1026 O O . LYS B 2 32 ? -12.428 -13.896 -11.533 1.00 98.29 32 B 1 ATOM 1027 C CB . LYS B 2 32 ? -14.417 -16.226 -12.643 1.00 98.07 32 B 1 ATOM 1028 C CG . LYS B 2 32 ? -15.251 -16.343 -13.927 1.00 95.30 32 B 1 ATOM 1029 C CD . LYS B 2 32 ? -16.721 -16.631 -13.604 1.00 91.78 32 B 1 ATOM 1030 C CE . LYS B 2 32 ? -17.550 -16.449 -14.874 1.00 82.93 32 B 1 ATOM 1031 N NZ . LYS B 2 32 ? -19.012 -16.433 -14.616 1.00 75.68 32 B 1 ATOM 1032 N N . GLY B 2 33 ? -11.866 -15.921 -10.736 1.00 97.87 33 B 1 ATOM 1033 C CA . GLY B 2 33 ? -11.197 -15.441 -9.524 1.00 97.58 33 B 1 ATOM 1034 C C . GLY B 2 33 ? -9.991 -14.556 -9.847 1.00 97.97 33 B 1 ATOM 1035 O O . GLY B 2 33 ? -9.914 -13.432 -9.363 1.00 97.71 33 B 1 ATOM 1036 N N . LEU B 2 34 ? -9.107 -15.016 -10.730 1.00 98.05 34 B 1 ATOM 1037 C CA . LEU B 2 34 ? -7.953 -14.230 -11.189 1.00 98.16 34 B 1 ATOM 1038 C C . LEU B 2 34 ? -8.375 -12.926 -11.875 1.00 98.42 34 B 1 ATOM 1039 O O . LEU B 2 34 ? -7.820 -11.876 -11.567 1.00 98.28 34 B 1 ATOM 1040 C CB . LEU B 2 34 ? -7.103 -15.067 -12.159 1.00 97.74 34 B 1 ATOM 1041 C CG . LEU B 2 34 ? -6.237 -16.148 -11.495 1.00 95.19 34 B 1 ATOM 1042 C CD1 . LEU B 2 34 ? -5.644 -17.050 -12.577 1.00 94.22 34 B 1 ATOM 1043 C CD2 . LEU B 2 34 ? -5.082 -15.539 -10.699 1.00 94.09 34 B 1 ATOM 1044 N N . PHE B 2 35 ? -9.371 -12.984 -12.765 1.00 98.43 35 B 1 ATOM 1045 C CA . PHE B 2 35 ? -9.860 -11.802 -13.481 1.00 98.49 35 B 1 ATOM 1046 C C . PHE B 2 35 ? -10.432 -10.752 -12.516 1.00 98.52 35 B 1 ATOM 1047 O O . PHE B 2 35 ? -10.066 -9.581 -12.593 1.00 98.44 35 B 1 ATOM 1048 C CB . PHE B 2 35 ? -10.895 -12.244 -14.520 1.00 98.38 35 B 1 ATOM 1049 C CG . PHE B 2 35 ? -11.301 -11.183 -15.528 1.00 98.43 35 B 1 ATOM 1050 C CD1 . PHE B 2 35 ? -12.061 -10.067 -15.145 1.00 97.75 35 B 1 ATOM 1051 C CD2 . PHE B 2 35 ? -10.951 -11.344 -16.886 1.00 97.55 35 B 1 ATOM 1052 C CE1 . PHE B 2 35 ? -12.458 -9.112 -16.099 1.00 97.17 35 B 1 ATOM 1053 C CE2 . PHE B 2 35 ? -11.355 -10.401 -17.842 1.00 96.90 35 B 1 ATOM 1054 C CZ . PHE B 2 35 ? -12.107 -9.281 -17.451 1.00 97.43 35 B 1 ATOM 1055 N N . LYS B 2 36 ? -11.289 -11.165 -11.565 1.00 98.50 36 B 1 ATOM 1056 C CA . LYS B 2 36 ? -11.862 -10.254 -10.561 1.00 98.39 36 B 1 ATOM 1057 C C . LYS B 2 36 ? -10.788 -9.641 -9.666 1.00 98.44 36 B 1 ATOM 1058 O O . LYS B 2 36 ? -10.764 -8.426 -9.507 1.00 98.29 36 B 1 ATOM 1059 C CB . LYS B 2 36 ? -12.889 -10.987 -9.699 1.00 97.96 36 B 1 ATOM 1060 C CG . LYS B 2 36 ? -14.218 -11.213 -10.428 1.00 90.91 36 B 1 ATOM 1061 C CD . LYS B 2 36 ? -15.194 -11.875 -9.458 1.00 86.25 36 B 1 ATOM 1062 C CE . LYS B 2 36 ? -16.588 -11.985 -10.059 1.00 73.54 36 B 1 ATOM 1063 N NZ . LYS B 2 36 ? -17.561 -12.433 -9.029 1.00 66.92 36 B 1 ATOM 1064 N N . SER B 2 37 ? -9.888 -10.463 -9.138 1.00 98.40 37 B 1 ATOM 1065 C CA . SER B 2 37 ? -8.786 -10.003 -8.282 1.00 98.31 37 B 1 ATOM 1066 C C . SER B 2 37 ? -7.891 -8.997 -9.010 1.00 98.42 37 B 1 ATOM 1067 O O . SER B 2 37 ? -7.535 -7.967 -8.443 1.00 98.24 37 B 1 ATOM 1068 C CB . SER B 2 37 ? -7.972 -11.212 -7.815 1.00 98.05 37 B 1 ATOM 1069 O OG . SER B 2 37 ? -6.916 -10.832 -6.954 1.00 94.10 37 B 1 ATOM 1070 N N . ALA B 2 38 ? -7.588 -9.241 -10.285 1.00 98.50 38 B 1 ATOM 1071 C CA . ALA B 2 38 ? -6.806 -8.315 -11.099 1.00 98.54 38 B 1 ATOM 1072 C C . ALA B 2 38 ? -7.517 -6.964 -11.279 1.00 98.56 38 B 1 ATOM 1073 O O . ALA B 2 38 ? -6.901 -5.918 -11.094 1.00 98.55 38 B 1 ATOM 1074 C CB . ALA B 2 38 ? -6.518 -8.975 -12.454 1.00 98.58 38 B 1 ATOM 1075 N N . VAL B 2 39 ? -8.821 -6.973 -11.593 1.00 98.52 39 B 1 ATOM 1076 C CA . VAL B 2 39 ? -9.617 -5.740 -11.766 1.00 98.41 39 B 1 ATOM 1077 C C . VAL B 2 39 ? -9.688 -4.941 -10.467 1.00 98.40 39 B 1 ATOM 1078 O O . VAL B 2 39 ? -9.464 -3.734 -10.477 1.00 98.25 39 B 1 ATOM 1079 C CB . VAL B 2 39 ? -11.029 -6.068 -12.287 1.00 98.03 39 B 1 ATOM 1080 C CG1 . VAL B 2 39 ? -11.958 -4.849 -12.286 1.00 96.50 39 B 1 ATOM 1081 C CG2 . VAL B 2 39 ? -10.964 -6.578 -13.732 1.00 96.96 39 B 1 ATOM 1082 N N . GLU B 2 40 ? -9.968 -5.610 -9.350 1.00 98.51 40 B 1 ATOM 1083 C CA . GLU B 2 40 ? -10.071 -4.965 -8.038 1.00 98.36 40 B 1 ATOM 1084 C C . GLU B 2 40 ? -8.729 -4.365 -7.598 1.00 98.31 40 B 1 ATOM 1085 O O . GLU B 2 40 ? -8.666 -3.204 -7.192 1.00 98.04 40 B 1 ATOM 1086 C CB . GLU B 2 40 ? -10.605 -5.997 -7.041 1.00 98.07 40 B 1 ATOM 1087 C CG . GLU B 2 40 ? -10.936 -5.375 -5.681 1.00 89.07 40 B 1 ATOM 1088 C CD . GLU B 2 40 ? -11.581 -6.389 -4.723 1.00 84.66 40 B 1 ATOM 1089 O OE1 . GLU B 2 40 ? -12.218 -5.941 -3.747 1.00 81.30 40 B 1 ATOM 1090 O OE2 . GLU B 2 40 ? -11.431 -7.613 -4.954 1.00 82.33 40 B 1 ATOM 1091 N N . GLN B 2 41 ? -7.639 -5.110 -7.770 1.00 98.44 41 B 1 ATOM 1092 C CA . GLN B 2 41 ? -6.288 -4.637 -7.458 1.00 98.41 41 B 1 ATOM 1093 C C . GLN B 2 41 ? -5.867 -3.456 -8.343 1.00 98.29 41 B 1 ATOM 1094 O O . GLN B 2 41 ? -5.308 -2.479 -7.839 1.00 97.99 41 B 1 ATOM 1095 C CB . GLN B 2 41 ? -5.319 -5.818 -7.577 1.00 98.13 41 B 1 ATOM 1096 C CG . GLN B 2 41 ? -3.872 -5.442 -7.226 1.00 97.55 41 B 1 ATOM 1097 C CD . GLN B 2 41 ? -2.980 -6.666 -7.028 1.00 97.92 41 B 1 ATOM 1098 O OE1 . GLN B 2 41 ? -3.425 -7.791 -6.862 1.00 94.38 41 B 1 ATOM 1099 N NE2 . GLN B 2 41 ? -1.677 -6.491 -7.013 1.00 93.27 41 B 1 ATOM 1100 N N . PHE B 2 42 ? -6.153 -3.505 -9.643 1.00 98.47 42 B 1 ATOM 1101 C CA . PHE B 2 42 ? -5.850 -2.406 -10.563 1.00 98.29 42 B 1 ATOM 1102 C C . PHE B 2 42 ? -6.630 -1.131 -10.210 1.00 97.97 42 B 1 ATOM 1103 O O . PHE B 2 42 ? -6.073 -0.034 -10.238 1.00 97.41 42 B 1 ATOM 1104 C CB . PHE B 2 42 ? -6.154 -2.852 -11.997 1.00 98.17 42 B 1 ATOM 1105 C CG . PHE B 2 42 ? -5.730 -1.856 -13.055 1.00 98.15 42 B 1 ATOM 1106 C CD1 . PHE B 2 42 ? -6.597 -0.828 -13.462 1.00 97.31 42 B 1 ATOM 1107 C CD2 . PHE B 2 42 ? -4.453 -1.956 -13.641 1.00 97.18 42 B 1 ATOM 1108 C CE1 . PHE B 2 42 ? -6.192 0.093 -14.446 1.00 96.44 42 B 1 ATOM 1109 C CE2 . PHE B 2 42 ? -4.044 -1.041 -14.626 1.00 96.39 42 B 1 ATOM 1110 C CZ . PHE B 2 42 ? -4.915 -0.017 -15.025 1.00 96.59 42 B 1 ATOM 1111 N N . SER B 2 43 ? -7.905 -1.272 -9.839 1.00 97.72 43 B 1 ATOM 1112 C CA . SER B 2 43 ? -8.754 -0.145 -9.439 1.00 97.00 43 B 1 ATOM 1113 C C . SER B 2 43 ? -8.293 0.481 -8.120 1.00 96.68 43 B 1 ATOM 1114 O O . SER B 2 43 ? -8.113 1.699 -8.046 1.00 95.28 43 B 1 ATOM 1115 C CB . SER B 2 43 ? -10.207 -0.623 -9.340 1.00 95.83 43 B 1 ATOM 1116 O OG . SER B 2 43 ? -11.064 0.483 -9.145 1.00 80.79 43 B 1 ATOM 1117 N N . SER B 2 44 ? -8.033 -0.345 -7.098 1.00 97.35 44 B 1 ATOM 1118 C CA . SER B 2 44 ? -7.623 0.116 -5.765 1.00 96.93 44 B 1 ATOM 1119 C C . SER B 2 44 ? -6.185 0.635 -5.706 1.00 97.13 44 B 1 ATOM 1120 O O . SER B 2 44 ? -5.852 1.408 -4.812 1.00 96.21 44 B 1 ATOM 1121 C CB . SER B 2 44 ? -7.836 -0.989 -4.725 1.00 95.68 44 B 1 ATOM 1122 O OG . SER B 2 44 ? -7.036 -2.120 -5.008 1.00 88.54 44 B 1 ATOM 1123 N N . ALA B 2 45 ? -5.345 0.323 -6.690 1.00 98.02 45 B 1 ATOM 1124 C CA . ALA B 2 45 ? -3.982 0.855 -6.777 1.00 97.95 45 B 1 ATOM 1125 C C . ALA B 2 45 ? -3.924 2.397 -6.781 1.00 97.60 45 B 1 ATOM 1126 O O . ALA B 2 45 ? -2.904 2.979 -6.408 1.00 96.64 45 B 1 ATOM 1127 C CB . ALA B 2 45 ? -3.313 0.280 -8.035 1.00 97.88 45 B 1 ATOM 1128 N N . ARG B 2 46 ? -5.014 3.083 -7.158 1.00 96.97 46 B 1 ATOM 1129 C CA . ARG B 2 46 ? -5.103 4.555 -7.083 1.00 96.21 46 B 1 ATOM 1130 C C . ARG B 2 46 ? -5.246 5.079 -5.651 1.00 96.74 46 B 1 ATOM 1131 O O . ARG B 2 46 ? -4.937 6.244 -5.411 1.00 95.43 46 B 1 ATOM 1132 C CB . ARG B 2 46 ? -6.267 5.057 -7.949 1.00 94.01 46 B 1 ATOM 1133 C CG . ARG B 2 46 ? -6.030 4.783 -9.438 1.00 80.82 46 B 1 ATOM 1134 C CD . ARG B 2 46 ? -7.146 5.408 -10.272 1.00 74.20 46 B 1 ATOM 1135 N NE . ARG B 2 46 ? -6.926 5.179 -11.712 1.00 63.68 46 B 1 ATOM 1136 C CZ . ARG B 2 46 ? -7.647 5.679 -12.702 1.00 56.33 46 B 1 ATOM 1137 N NH1 . ARG B 2 46 ? -8.663 6.466 -12.481 1.00 50.49 46 B 1 ATOM 1138 N NH2 . ARG B 2 46 ? -7.353 5.390 -13.938 1.00 49.25 46 B 1 ATOM 1139 N N . ASP B 2 47 ? -5.698 4.254 -4.718 1.00 97.16 47 B 1 ATOM 1140 C CA . ASP B 2 47 ? -5.965 4.684 -3.342 1.00 97.11 47 B 1 ATOM 1141 C C . ASP B 2 47 ? -4.687 4.972 -2.543 1.00 97.57 47 B 1 ATOM 1142 O O . ASP B 2 47 ? -4.737 5.732 -1.577 1.00 96.98 47 B 1 ATOM 1143 C CB . ASP B 2 47 ? -6.879 3.675 -2.639 1.00 96.14 47 B 1 ATOM 1144 C CG . ASP B 2 47 ? -8.286 3.639 -3.254 1.00 93.56 47 B 1 ATOM 1145 O OD1 . ASP B 2 47 ? -8.761 4.710 -3.723 1.00 91.14 47 B 1 ATOM 1146 O OD2 . ASP B 2 47 ? -8.914 2.568 -3.223 1.00 89.98 47 B 1 ATOM 1147 N N . PHE B 2 48 ? -3.523 4.479 -2.997 1.00 98.03 48 B 1 ATOM 1148 C CA . PHE B 2 48 ? -2.233 4.855 -2.407 1.00 98.13 48 B 1 ATOM 1149 C C . PHE B 2 48 ? -1.972 6.365 -2.465 1.00 98.14 48 B 1 ATOM 1150 O O . PHE B 2 48 ? -1.367 6.907 -1.547 1.00 97.71 48 B 1 ATOM 1151 C CB . PHE B 2 48 ? -1.097 4.105 -3.104 1.00 98.05 48 B 1 ATOM 1152 C CG . PHE B 2 48 ? -1.126 2.608 -2.888 1.00 98.23 48 B 1 ATOM 1153 C CD1 . PHE B 2 48 ? -1.052 2.081 -1.585 1.00 97.64 48 B 1 ATOM 1154 C CD2 . PHE B 2 48 ? -1.223 1.737 -3.986 1.00 97.69 48 B 1 ATOM 1155 C CE1 . PHE B 2 48 ? -1.090 0.694 -1.375 1.00 97.13 48 B 1 ATOM 1156 C CE2 . PHE B 2 48 ? -1.260 0.346 -3.782 1.00 97.14 48 B 1 ATOM 1157 C CZ . PHE B 2 48 ? -1.198 -0.173 -2.475 1.00 97.32 48 B 1 ATOM 1158 N N . PHE B 2 49 ? -2.465 7.065 -3.492 1.00 98.08 49 B 1 ATOM 1159 C CA . PHE B 2 49 ? -2.324 8.523 -3.610 1.00 97.89 49 B 1 ATOM 1160 C C . PHE B 2 49 ? -3.228 9.306 -2.647 1.00 97.66 49 B 1 ATOM 1161 O O . PHE B 2 49 ? -3.047 10.513 -2.496 1.00 96.61 49 B 1 ATOM 1162 C CB . PHE B 2 49 ? -2.605 8.955 -5.053 1.00 97.75 49 B 1 ATOM 1163 C CG . PHE B 2 49 ? -1.683 8.336 -6.078 1.00 97.69 49 B 1 ATOM 1164 C CD1 . PHE B 2 49 ? -0.304 8.617 -6.052 1.00 96.70 49 B 1 ATOM 1165 C CD2 . PHE B 2 49 ? -2.197 7.486 -7.071 1.00 96.80 49 B 1 ATOM 1166 C CE1 . PHE B 2 49 ? 0.552 8.060 -7.014 1.00 96.03 49 B 1 ATOM 1167 C CE2 . PHE B 2 49 ? -1.344 6.927 -8.038 1.00 95.99 49 B 1 ATOM 1168 C CZ . PHE B 2 49 ? 0.031 7.217 -8.010 1.00 96.36 49 B 1 ATOM 1169 N N . LYS B 2 50 ? -4.203 8.654 -2.008 1.00 97.78 50 B 1 ATOM 1170 C CA . LYS B 2 50 ? -5.090 9.266 -1.006 1.00 97.39 50 B 1 ATOM 1171 C C . LYS B 2 50 ? -4.533 9.146 0.417 1.00 97.27 50 B 1 ATOM 1172 O O . LYS B 2 50 ? -5.026 9.827 1.306 1.00 95.94 50 B 1 ATOM 1173 C CB . LYS B 2 50 ? -6.481 8.622 -1.065 1.00 96.65 50 B 1 ATOM 1174 C CG . LYS B 2 50 ? -7.178 8.757 -2.429 1.00 93.18 50 B 1 ATOM 1175 C CD . LYS B 2 50 ? -8.498 7.985 -2.380 1.00 88.55 50 B 1 ATOM 1176 C CE . LYS B 2 50 ? -9.197 7.971 -3.741 1.00 80.89 50 B 1 ATOM 1177 N NZ . LYS B 2 50 ? -10.219 6.901 -3.781 1.00 73.26 50 B 1 ATOM 1178 N N . ASN B 2 51 ? -3.547 8.283 0.637 1.00 97.02 51 B 1 ATOM 1179 C CA . ASN B 2 51 ? -2.940 8.120 1.955 1.00 96.82 51 B 1 ATOM 1180 C C . ASN B 2 51 ? -1.988 9.293 2.241 1.00 96.74 51 B 1 ATOM 1181 O O . ASN B 2 51 ? -0.876 9.350 1.722 1.00 95.71 51 B 1 ATOM 1182 C CB . ASN B 2 51 ? -2.258 6.747 2.045 1.00 96.21 51 B 1 ATOM 1183 C CG . ASN B 2 51 ? -1.782 6.449 3.461 1.00 95.38 51 B 1 ATOM 1184 O OD1 . ASN B 2 51 ? -1.402 7.310 4.230 1.00 90.34 51 B 1 ATOM 1185 N ND2 . ASN B 2 51 ? -1.807 5.198 3.856 1.00 88.64 51 B 1 ATOM 1186 N N . GLU B 2 52 ? -2.424 10.203 3.103 1.00 96.62 52 B 1 ATOM 1187 C CA . GLU B 2 52 ? -1.694 11.423 3.466 1.00 96.06 52 B 1 ATOM 1188 C C . GLU B 2 52 ? -0.358 11.145 4.177 1.00 96.62 52 B 1 ATOM 1189 O O . GLU B 2 52 ? 0.520 12.008 4.216 1.00 94.93 52 B 1 ATOM 1190 C CB . GLU B 2 52 ? -2.570 12.294 4.376 1.00 94.50 52 B 1 ATOM 1191 C CG . GLU B 2 52 ? -3.878 12.743 3.697 1.00 85.44 52 B 1 ATOM 1192 C CD . GLU B 2 52 ? -4.722 13.678 4.574 1.00 76.27 52 B 1 ATOM 1193 O OE1 . GLU B 2 52 ? -5.719 14.214 4.040 1.00 69.96 52 B 1 ATOM 1194 O OE2 . GLU B 2 52 ? -4.376 13.867 5.765 1.00 71.96 52 B 1 ATOM 1195 N N . ASN B 2 53 ? -0.180 9.941 4.720 1.00 97.07 53 B 1 ATOM 1196 C CA . ASN B 2 53 ? 1.061 9.575 5.384 1.00 97.22 53 B 1 ATOM 1197 C C . ASN B 2 53 ? 2.170 9.203 4.398 1.00 97.70 53 B 1 ATOM 1198 O O . ASN B 2 53 ? 3.341 9.402 4.716 1.00 97.00 53 B 1 ATOM 1199 C CB . ASN B 2 53 ? 0.809 8.441 6.383 1.00 96.67 53 B 1 ATOM 1200 C CG . ASN B 2 53 ? -0.097 8.878 7.511 1.00 95.44 53 B 1 ATOM 1201 O OD1 . ASN B 2 53 ? 0.206 9.799 8.261 1.00 89.37 53 B 1 ATOM 1202 N ND2 . ASN B 2 53 ? -1.232 8.230 7.654 1.00 88.23 53 B 1 ATOM 1203 N N . TYR B 2 54 ? 1.839 8.665 3.219 1.00 97.86 54 B 1 ATOM 1204 C CA . TYR B 2 54 ? 2.864 8.239 2.270 1.00 98.05 54 B 1 ATOM 1205 C C . TYR B 2 54 ? 3.509 9.437 1.575 1.00 97.92 54 B 1 ATOM 1206 O O . TYR B 2 54 ? 2.836 10.383 1.165 1.00 97.18 54 B 1 ATOM 1207 C CB . TYR B 2 54 ? 2.295 7.239 1.256 1.00 97.95 54 B 1 ATOM 1208 C CG . TYR B 2 54 ? 1.744 5.949 1.845 1.00 98.16 54 B 1 ATOM 1209 C CD1 . TYR B 2 54 ? 2.199 5.449 3.082 1.00 96.95 54 B 1 ATOM 1210 C CD2 . TYR B 2 54 ? 0.760 5.234 1.140 1.00 96.91 54 B 1 ATOM 1211 C CE1 . TYR B 2 54 ? 1.657 4.269 3.625 1.00 96.22 54 B 1 ATOM 1212 C CE2 . TYR B 2 54 ? 0.213 4.049 1.669 1.00 96.42 54 B 1 ATOM 1213 C CZ . TYR B 2 54 ? 0.660 3.581 2.918 1.00 97.19 54 B 1 ATOM 1214 O OH . TYR B 2 54 ? 0.100 2.451 3.454 1.00 95.67 54 B 1 ATOM 1215 N N . SER B 2 55 ? 4.829 9.377 1.390 1.00 97.68 55 B 1 ATOM 1216 C CA . SER B 2 55 ? 5.484 10.277 0.448 1.00 97.57 55 B 1 ATOM 1217 C C . SER B 2 55 ? 4.946 10.034 -0.964 1.00 97.87 55 B 1 ATOM 1218 O O . SER B 2 55 ? 4.453 8.951 -1.296 1.00 97.85 55 B 1 ATOM 1219 C CB . SER B 2 55 ? 7.009 10.107 0.479 1.00 97.06 55 B 1 ATOM 1220 O OG . SER B 2 55 ? 7.398 8.864 -0.053 1.00 95.04 55 B 1 ATOM 1221 N N . LYS B 2 56 ? 5.065 11.051 -1.823 1.00 97.99 56 B 1 ATOM 1222 C CA . LYS B 2 56 ? 4.694 10.912 -3.232 1.00 97.91 56 B 1 ATOM 1223 C C . LYS B 2 56 ? 5.432 9.744 -3.894 1.00 98.20 56 B 1 ATOM 1224 O O . LYS B 2 56 ? 4.811 8.951 -4.596 1.00 98.00 56 B 1 ATOM 1225 C CB . LYS B 2 56 ? 4.960 12.242 -3.945 1.00 97.34 56 B 1 ATOM 1226 C CG . LYS B 2 56 ? 4.511 12.171 -5.410 1.00 86.36 56 B 1 ATOM 1227 C CD . LYS B 2 56 ? 4.764 13.491 -6.144 1.00 77.75 56 B 1 ATOM 1228 C CE . LYS B 2 56 ? 4.434 13.248 -7.622 1.00 65.96 56 B 1 ATOM 1229 N NZ . LYS B 2 56 ? 4.757 14.408 -8.482 1.00 58.01 56 B 1 ATOM 1230 N N . GLU B 2 57 ? 6.727 9.606 -3.616 1.00 97.80 57 B 1 ATOM 1231 C CA . GLU B 2 57 ? 7.562 8.527 -4.148 1.00 97.77 57 B 1 ATOM 1232 C C . GLU B 2 57 ? 7.081 7.143 -3.685 1.00 98.17 57 B 1 ATOM 1233 O O . GLU B 2 57 ? 6.967 6.221 -4.494 1.00 97.96 57 B 1 ATOM 1234 C CB . GLU B 2 57 ? 9.012 8.784 -3.714 1.00 97.46 57 B 1 ATOM 1235 C CG . GLU B 2 57 ? 9.989 7.766 -4.315 1.00 83.49 57 B 1 ATOM 1236 C CD . GLU B 2 57 ? 11.453 8.048 -3.949 1.00 72.38 57 B 1 ATOM 1237 O OE1 . GLU B 2 57 ? 12.312 7.282 -4.448 1.00 67.35 57 B 1 ATOM 1238 O OE2 . GLU B 2 57 ? 11.713 9.016 -3.203 1.00 68.52 57 B 1 ATOM 1239 N N . LEU B 2 58 ? 6.709 6.998 -2.407 1.00 98.03 58 B 1 ATOM 1240 C CA . LEU B 2 58 ? 6.196 5.735 -1.878 1.00 98.19 58 B 1 ATOM 1241 C C . LEU B 2 58 ? 4.837 5.380 -2.497 1.00 98.33 58 B 1 ATOM 1242 O O . LEU B 2 58 ? 4.630 4.239 -2.912 1.00 98.43 58 B 1 ATOM 1243 C CB . LEU B 2 58 ? 6.116 5.813 -0.344 1.00 98.14 58 B 1 ATOM 1244 C CG . LEU B 2 58 ? 5.787 4.454 0.308 1.00 96.56 58 B 1 ATOM 1245 C CD1 . LEU B 2 58 ? 6.916 3.436 0.123 1.00 94.88 58 B 1 ATOM 1246 C CD2 . LEU B 2 58 ? 5.549 4.637 1.802 1.00 94.89 58 B 1 ATOM 1247 N N . ALA B 2 59 ? 3.925 6.351 -2.612 1.00 98.54 59 B 1 ATOM 1248 C CA . ALA B 2 59 ? 2.624 6.152 -3.248 1.00 98.50 59 B 1 ATOM 1249 C C . ALA B 2 59 ? 2.767 5.745 -4.728 1.00 98.51 59 B 1 ATOM 1250 O O . ALA B 2 59 ? 2.098 4.815 -5.180 1.00 98.48 59 B 1 ATOM 1251 C CB . ALA B 2 59 ? 1.802 7.438 -3.089 1.00 98.41 59 B 1 ATOM 1252 N N . GLU B 2 60 ? 3.676 6.385 -5.471 1.00 98.58 60 B 1 ATOM 1253 C CA . GLU B 2 60 ? 3.990 6.032 -6.861 1.00 98.53 60 B 1 ATOM 1254 C C . GLU B 2 60 ? 4.584 4.620 -6.968 1.00 98.56 60 B 1 ATOM 1255 O O . GLU B 2 60 ? 4.186 3.844 -7.843 1.00 98.47 60 B 1 ATOM 1256 C CB . GLU B 2 60 ? 4.956 7.065 -7.465 1.00 98.37 60 B 1 ATOM 1257 C CG . GLU B 2 60 ? 4.253 8.392 -7.814 1.00 88.25 60 B 1 ATOM 1258 C CD . GLU B 2 60 ? 5.197 9.490 -8.344 1.00 78.72 60 B 1 ATOM 1259 O OE1 . GLU B 2 60 ? 4.677 10.581 -8.710 1.00 74.82 60 B 1 ATOM 1260 O OE2 . GLU B 2 60 ? 6.427 9.289 -8.386 1.00 76.12 60 B 1 ATOM 1261 N N . LYS B 2 61 ? 5.484 4.253 -6.059 1.00 98.36 61 B 1 ATOM 1262 C CA . LYS B 2 61 ? 6.065 2.907 -5.997 1.00 98.28 61 B 1 ATOM 1263 C C . LYS B 2 61 ? 4.987 1.850 -5.751 1.00 98.40 61 B 1 ATOM 1264 O O . LYS B 2 61 ? 4.894 0.890 -6.512 1.00 98.26 61 B 1 ATOM 1265 C CB . LYS B 2 61 ? 7.169 2.882 -4.928 1.00 98.03 61 B 1 ATOM 1266 C CG . LYS B 2 61 ? 7.936 1.548 -4.878 1.00 90.94 61 B 1 ATOM 1267 C CD . LYS B 2 61 ? 9.064 1.650 -3.840 1.00 88.36 61 B 1 ATOM 1268 C CE . LYS B 2 61 ? 9.896 0.367 -3.763 1.00 76.78 61 B 1 ATOM 1269 N NZ . LYS B 2 61 ? 11.041 0.527 -2.817 1.00 70.89 61 B 1 ATOM 1270 N N . PHE B 2 62 ? 4.135 2.046 -4.739 1.00 98.42 62 B 1 ATOM 1271 C CA . PHE B 2 62 ? 3.049 1.126 -4.413 1.00 98.40 62 B 1 ATOM 1272 C C . PHE B 2 62 ? 2.028 1.004 -5.550 1.00 98.35 62 B 1 ATOM 1273 O O . PHE B 2 62 ? 1.641 -0.107 -5.905 1.00 98.27 62 B 1 ATOM 1274 C CB . PHE B 2 62 ? 2.365 1.576 -3.121 1.00 98.35 62 B 1 ATOM 1275 C CG . PHE B 2 62 ? 3.150 1.378 -1.833 1.00 98.44 62 B 1 ATOM 1276 C CD1 . PHE B 2 62 ? 4.392 0.719 -1.789 1.00 97.55 62 B 1 ATOM 1277 C CD2 . PHE B 2 62 ? 2.572 1.826 -0.628 1.00 97.36 62 B 1 ATOM 1278 C CE1 . PHE B 2 62 ? 5.050 0.507 -0.566 1.00 96.94 62 B 1 ATOM 1279 C CE2 . PHE B 2 62 ? 3.225 1.616 0.599 1.00 96.90 62 B 1 ATOM 1280 C CZ . PHE B 2 62 ? 4.460 0.954 0.630 1.00 97.45 62 B 1 ATOM 1281 N N . ASN B 2 63 ? 1.641 2.124 -6.159 1.00 98.60 63 B 1 ATOM 1282 C CA . ASN B 2 63 ? 0.768 2.118 -7.329 1.00 98.54 63 B 1 ATOM 1283 C C . ASN B 2 63 ? 1.370 1.272 -8.458 1.00 98.52 63 B 1 ATOM 1284 O O . ASN B 2 63 ? 0.706 0.371 -8.967 1.00 98.43 63 B 1 ATOM 1285 C CB . ASN B 2 63 ? 0.528 3.563 -7.782 1.00 98.39 63 B 1 ATOM 1286 C CG . ASN B 2 63 ? -0.260 3.609 -9.080 1.00 97.67 63 B 1 ATOM 1287 O OD1 . ASN B 2 63 ? 0.287 3.698 -10.164 1.00 91.75 63 B 1 ATOM 1288 N ND2 . ASN B 2 63 ? -1.567 3.515 -9.009 1.00 91.42 63 B 1 ATOM 1289 N N . LYS B 2 64 ? 2.627 1.522 -8.812 1.00 98.56 64 B 1 ATOM 1290 C CA . LYS B 2 64 ? 3.311 0.803 -9.885 1.00 98.53 64 B 1 ATOM 1291 C C . LYS B 2 64 ? 3.370 -0.703 -9.624 1.00 98.59 64 B 1 ATOM 1292 O O . LYS B 2 64 ? 3.068 -1.486 -10.521 1.00 98.45 64 B 1 ATOM 1293 C CB . LYS B 2 64 ? 4.711 1.404 -10.064 1.00 98.24 64 B 1 ATOM 1294 C CG . LYS B 2 64 ? 5.473 0.748 -11.229 1.00 89.93 64 B 1 ATOM 1295 C CD . LYS B 2 64 ? 6.859 1.375 -11.372 1.00 84.95 64 B 1 ATOM 1296 C CE . LYS B 2 64 ? 7.623 0.658 -12.490 1.00 72.13 64 B 1 ATOM 1297 N NZ . LYS B 2 64 ? 9.006 1.188 -12.626 1.00 63.08 64 B 1 ATOM 1298 N N . GLU B 2 65 ? 3.729 -1.110 -8.409 1.00 98.60 65 B 1 ATOM 1299 C CA . GLU B 2 65 ? 3.850 -2.530 -8.055 1.00 98.56 65 B 1 ATOM 1300 C C . GLU B 2 65 ? 2.482 -3.236 -8.038 1.00 98.65 65 B 1 ATOM 1301 O O . GLU B 2 65 ? 2.342 -4.324 -8.591 1.00 98.46 65 B 1 ATOM 1302 C CB . GLU B 2 65 ? 4.540 -2.657 -6.692 1.00 98.36 65 B 1 ATOM 1303 C CG . GLU B 2 65 ? 5.989 -2.142 -6.673 1.00 92.53 65 B 1 ATOM 1304 C CD . GLU B 2 65 ? 7.022 -2.995 -7.406 1.00 82.35 65 B 1 ATOM 1305 O OE1 . GLU B 2 65 ? 8.113 -2.459 -7.714 1.00 75.86 65 B 1 ATOM 1306 O OE2 . GLU B 2 65 ? 6.846 -4.220 -7.519 1.00 75.55 65 B 1 ATOM 1307 N N . ALA B 2 66 ? 1.443 -2.590 -7.485 1.00 98.62 66 B 1 ATOM 1308 C CA . ALA B 2 66 ? 0.088 -3.135 -7.479 1.00 98.62 66 B 1 ATOM 1309 C C . ALA B 2 66 ? -0.495 -3.244 -8.898 1.00 98.67 66 B 1 ATOM 1310 O O . ALA B 2 66 ? -1.139 -4.242 -9.227 1.00 98.60 66 B 1 ATOM 1311 C CB . ALA B 2 66 ? -0.790 -2.258 -6.577 1.00 98.53 66 B 1 ATOM 1312 N N . VAL B 2 67 ? -0.241 -2.256 -9.761 1.00 98.63 67 B 1 ATOM 1313 C CA . VAL B 2 67 ? -0.636 -2.293 -11.177 1.00 98.65 67 B 1 ATOM 1314 C C . VAL B 2 67 ? 0.088 -3.416 -11.919 1.00 98.69 67 B 1 ATOM 1315 O O . VAL B 2 67 ? -0.557 -4.153 -12.659 1.00 98.66 67 B 1 ATOM 1316 C CB . VAL B 2 67 ? -0.396 -0.929 -11.856 1.00 98.42 67 B 1 ATOM 1317 C CG1 . VAL B 2 67 ? -0.495 -0.992 -13.387 1.00 97.30 67 B 1 ATOM 1318 C CG2 . VAL B 2 67 ? -1.438 0.092 -11.379 1.00 97.49 67 B 1 ATOM 1319 N N . ASN B 2 68 ? 1.391 -3.587 -11.708 1.00 98.60 68 B 1 ATOM 1320 C CA . ASN B 2 68 ? 2.155 -4.653 -12.359 1.00 98.56 68 B 1 ATOM 1321 C C . ASN B 2 68 ? 1.618 -6.040 -11.989 1.00 98.66 68 B 1 ATOM 1322 O O . ASN B 2 68 ? 1.346 -6.842 -12.879 1.00 98.53 68 B 1 ATOM 1323 C CB . ASN B 2 68 ? 3.641 -4.523 -11.991 1.00 98.28 68 B 1 ATOM 1324 C CG . ASN B 2 68 ? 4.361 -3.368 -12.675 1.00 91.91 68 B 1 ATOM 1325 O OD1 . ASN B 2 68 ? 3.921 -2.752 -13.630 1.00 86.38 68 B 1 ATOM 1326 N ND2 . ASN B 2 68 ? 5.559 -3.070 -12.208 1.00 86.21 68 B 1 ATOM 1327 N N . GLU B 2 69 ? 1.375 -6.303 -10.701 1.00 98.55 69 B 1 ATOM 1328 C CA . GLU B 2 69 ? 0.809 -7.587 -10.267 1.00 98.50 69 B 1 ATOM 1329 C C . GLU B 2 69 ? -0.621 -7.798 -10.809 1.00 98.60 69 B 1 ATOM 1330 O O . GLU B 2 69 ? -0.987 -8.909 -11.197 1.00 98.55 69 B 1 ATOM 1331 C CB . GLU B 2 69 ? 0.842 -7.690 -8.733 1.00 98.20 69 B 1 ATOM 1332 C CG . GLU B 2 69 ? 0.445 -9.100 -8.277 1.00 96.26 69 B 1 ATOM 1333 C CD . GLU B 2 69 ? 0.511 -9.294 -6.762 1.00 95.72 69 B 1 ATOM 1334 O OE1 . GLU B 2 69 ? -0.549 -9.225 -6.111 1.00 91.06 69 B 1 ATOM 1335 O OE2 . GLU B 2 69 ? 1.607 -9.574 -6.240 1.00 91.02 69 B 1 ATOM 1336 N N . ALA B 2 70 ? -1.435 -6.740 -10.891 1.00 98.66 70 B 1 ATOM 1337 C CA . ALA B 2 70 ? -2.764 -6.822 -11.495 1.00 98.65 70 B 1 ATOM 1338 C C . ALA B 2 70 ? -2.696 -7.171 -12.994 1.00 98.70 70 B 1 ATOM 1339 O O . ALA B 2 70 ? -3.473 -7.999 -13.471 1.00 98.69 70 B 1 ATOM 1340 C CB . ALA B 2 70 ? -3.493 -5.493 -11.263 1.00 98.61 70 B 1 ATOM 1341 N N . VAL B 2 71 ? -1.746 -6.581 -13.728 1.00 98.73 71 B 1 ATOM 1342 C CA . VAL B 2 71 ? -1.490 -6.904 -15.141 1.00 98.74 71 B 1 ATOM 1343 C C . VAL B 2 71 ? -1.080 -8.368 -15.296 1.00 98.75 71 B 1 ATOM 1344 O O . VAL B 2 71 ? -1.642 -9.059 -16.145 1.00 98.70 71 B 1 ATOM 1345 C CB . VAL B 2 71 ? -0.426 -5.954 -15.734 1.00 98.58 71 B 1 ATOM 1346 C CG1 . VAL B 2 71 ? 0.116 -6.424 -17.090 1.00 97.79 71 B 1 ATOM 1347 C CG2 . VAL B 2 71 ? -1.022 -4.553 -15.951 1.00 97.92 71 B 1 ATOM 1348 N N . GLU B 2 72 ? -0.181 -8.879 -14.452 1.00 98.75 72 B 1 ATOM 1349 C CA . GLU B 2 72 ? 0.242 -10.284 -14.471 1.00 98.67 72 B 1 ATOM 1350 C C . GLU B 2 72 ? -0.919 -11.244 -14.169 1.00 98.72 72 B 1 ATOM 1351 O O . GLU B 2 72 ? -1.089 -12.260 -14.850 1.00 98.59 72 B 1 ATOM 1352 C CB . GLU B 2 72 ? 1.365 -10.497 -13.447 1.00 98.40 72 B 1 ATOM 1353 C CG . GLU B 2 72 ? 2.688 -9.854 -13.885 1.00 92.58 72 B 1 ATOM 1354 C CD . GLU B 2 72 ? 3.799 -9.988 -12.832 1.00 86.14 72 B 1 ATOM 1355 O OE1 . GLU B 2 72 ? 4.871 -9.381 -13.054 1.00 82.15 72 B 1 ATOM 1356 O OE2 . GLU B 2 72 ? 3.585 -10.709 -11.825 1.00 83.24 72 B 1 ATOM 1357 N N . LYS B 2 73 ? -1.778 -10.908 -13.194 1.00 98.60 73 B 1 ATOM 1358 C CA . LYS B 2 73 ? -2.981 -11.692 -12.880 1.00 98.50 73 B 1 ATOM 1359 C C . LYS B 2 73 ? -3.963 -11.725 -14.048 1.00 98.60 73 B 1 ATOM 1360 O O . LYS B 2 73 ? -4.470 -12.799 -14.377 1.00 98.39 73 B 1 ATOM 1361 C CB . LYS B 2 73 ? -3.681 -11.121 -11.647 1.00 97.78 73 B 1 ATOM 1362 C CG . LYS B 2 73 ? -2.965 -11.488 -10.344 1.00 91.39 73 B 1 ATOM 1363 C CD . LYS B 2 73 ? -3.661 -10.772 -9.184 1.00 92.38 73 B 1 ATOM 1364 C CE . LYS B 2 73 ? -2.960 -11.107 -7.873 1.00 87.42 73 B 1 ATOM 1365 N NZ . LYS B 2 73 ? -3.524 -10.304 -6.770 1.00 85.04 73 B 1 ATOM 1366 N N . LEU B 2 74 ? -4.238 -10.570 -14.670 1.00 98.69 74 B 1 ATOM 1367 C CA . LEU B 2 74 ? -5.126 -10.515 -15.828 1.00 98.66 74 B 1 ATOM 1368 C C . LEU B 2 74 ? -4.526 -11.281 -17.009 1.00 98.63 74 B 1 ATOM 1369 O O . LEU B 2 74 ? -5.236 -12.079 -17.616 1.00 98.61 74 B 1 ATOM 1370 C CB . LEU B 2 74 ? -5.458 -9.061 -16.194 1.00 98.61 74 B 1 ATOM 1371 C CG . LEU B 2 74 ? -6.519 -8.952 -17.316 1.00 98.32 74 B 1 ATOM 1372 C CD1 . LEU B 2 74 ? -7.882 -9.512 -16.900 1.00 97.80 74 B 1 ATOM 1373 C CD2 . LEU B 2 74 ? -6.717 -7.494 -17.716 1.00 97.64 74 B 1 ATOM 1374 N N . GLN B 2 75 ? -3.225 -11.122 -17.278 1.00 98.76 75 B 1 ATOM 1375 C CA . GLN B 2 75 ? -2.520 -11.879 -18.322 1.00 98.72 75 B 1 ATOM 1376 C C . GLN B 2 75 ? -2.698 -13.384 -18.121 1.00 98.70 75 B 1 ATOM 1377 O O . GLN B 2 75 ? -3.130 -14.079 -19.037 1.00 98.63 75 B 1 ATOM 1378 C CB . GLN B 2 75 ? -1.029 -11.499 -18.321 1.00 98.59 75 B 1 ATOM 1379 C CG . GLN B 2 75 ? -0.248 -12.156 -19.471 1.00 97.79 75 B 1 ATOM 1380 C CD . GLN B 2 75 ? -0.683 -11.610 -20.836 1.00 98.33 75 B 1 ATOM 1381 O OE1 . GLN B 2 75 ? -0.393 -10.477 -21.171 1.00 94.21 75 B 1 ATOM 1382 N NE2 . GLN B 2 75 ? -1.390 -12.371 -21.638 1.00 92.69 75 B 1 ATOM 1383 N N . LYS B 2 76 ? -2.466 -13.875 -16.891 1.00 98.63 76 B 1 ATOM 1384 C CA . LYS B 2 76 ? -2.655 -15.289 -16.561 1.00 98.60 76 B 1 ATOM 1385 C C . LYS B 2 76 ? -4.097 -15.752 -16.784 1.00 98.61 76 B 1 ATOM 1386 O O . LYS B 2 76 ? -4.306 -16.854 -17.291 1.00 98.44 76 B 1 ATOM 1387 C CB . LYS B 2 76 ? -2.192 -15.515 -15.117 1.00 98.46 76 B 1 ATOM 1388 C CG . LYS B 2 76 ? -2.218 -16.998 -14.719 1.00 91.87 76 B 1 ATOM 1389 C CD . LYS B 2 76 ? -1.671 -17.159 -13.301 1.00 88.62 76 B 1 ATOM 1390 C CE . LYS B 2 76 ? -1.661 -18.636 -12.893 1.00 77.15 76 B 1 ATOM 1391 N NZ . LYS B 2 76 ? -1.082 -18.808 -11.535 1.00 70.14 76 B 1 ATOM 1392 N N . ALA B 2 77 ? -5.089 -14.940 -16.413 1.00 98.62 77 B 1 ATOM 1393 C CA . ALA B 2 77 ? -6.500 -15.264 -16.631 1.00 98.54 77 B 1 ATOM 1394 C C . ALA B 2 77 ? -6.845 -15.335 -18.128 1.00 98.50 77 B 1 ATOM 1395 O O . ALA B 2 77 ? -7.500 -16.287 -18.557 1.00 98.35 77 B 1 ATOM 1396 C CB . ALA B 2 77 ? -7.371 -14.234 -15.903 1.00 98.47 77 B 1 ATOM 1397 N N . ILE B 2 78 ? -6.373 -14.361 -18.912 1.00 98.57 78 B 1 ATOM 1398 C CA . ILE B 2 78 ? -6.563 -14.302 -20.367 1.00 98.45 78 B 1 ATOM 1399 C C . ILE B 2 78 ? -5.886 -15.496 -21.046 1.00 98.44 78 B 1 ATOM 1400 O O . ILE B 2 78 ? -6.567 -16.239 -21.746 1.00 98.29 78 B 1 ATOM 1401 C CB . ILE B 2 78 ? -6.076 -12.939 -20.916 1.00 98.06 78 B 1 ATOM 1402 C CG1 . ILE B 2 78 ? -6.933 -11.755 -20.402 1.00 96.22 78 B 1 ATOM 1403 C CG2 . ILE B 2 78 ? -6.028 -12.921 -22.454 1.00 96.76 78 B 1 ATOM 1404 C CD1 . ILE B 2 78 ? -8.423 -11.774 -20.760 1.00 90.61 78 B 1 ATOM 1405 N N . ASP B 2 79 ? -4.615 -15.764 -20.747 1.00 98.54 79 B 1 ATOM 1406 C CA . ASP B 2 79 ? -3.863 -16.879 -21.342 1.00 98.53 79 B 1 ATOM 1407 C C . ASP B 2 79 ? -4.521 -18.241 -21.061 1.00 98.50 79 B 1 ATOM 1408 O O . ASP B 2 79 ? -4.566 -19.123 -21.922 1.00 98.31 79 B 1 ATOM 1409 C CB . ASP B 2 79 ? -2.439 -16.921 -20.758 1.00 98.45 79 B 1 ATOM 1410 C CG . ASP B 2 79 ? -1.517 -15.756 -21.129 1.00 97.25 79 B 1 ATOM 1411 O OD1 . ASP B 2 79 ? -1.877 -14.929 -21.986 1.00 94.24 79 B 1 ATOM 1412 O OD2 . ASP B 2 79 ? -0.414 -15.720 -20.533 1.00 94.45 79 B 1 ATOM 1413 N N . LEU B 2 80 ? -5.047 -18.436 -19.835 1.00 98.30 80 B 1 ATOM 1414 C CA . LEU B 2 80 ? -5.761 -19.662 -19.471 1.00 98.13 80 B 1 ATOM 1415 C C . LEU B 2 80 ? -7.083 -19.796 -20.234 1.00 98.03 80 B 1 ATOM 1416 O O . LEU B 2 80 ? -7.430 -20.901 -20.649 1.00 97.77 80 B 1 ATOM 1417 C CB . LEU B 2 80 ? -6.018 -19.688 -17.956 1.00 98.05 80 B 1 ATOM 1418 C CG . LEU B 2 80 ? -4.778 -19.991 -17.091 1.00 97.07 80 B 1 ATOM 1419 C CD1 . LEU B 2 80 ? -5.134 -19.769 -15.619 1.00 96.09 80 B 1 ATOM 1420 C CD2 . LEU B 2 80 ? -4.297 -21.433 -17.250 1.00 95.90 80 B 1 ATOM 1421 N N . ALA B 2 81 ? -7.815 -18.701 -20.423 1.00 98.20 81 B 1 ATOM 1422 C CA . ALA B 2 81 ? -9.080 -18.701 -21.154 1.00 98.06 81 B 1 ATOM 1423 C C . ALA B 2 81 ? -8.874 -18.871 -22.670 1.00 97.95 81 B 1 ATOM 1424 O O . ALA B 2 81 ? -9.598 -19.643 -23.301 1.00 97.80 81 B 1 ATOM 1425 C CB . ALA B 2 81 ? -9.829 -17.414 -20.806 1.00 97.98 81 B 1 ATOM 1426 N N . GLU B 2 82 ? -7.849 -18.234 -23.245 1.00 98.22 82 B 1 ATOM 1427 C CA . GLU B 2 82 ? -7.465 -18.397 -24.655 1.00 98.05 82 B 1 ATOM 1428 C C . GLU B 2 82 ? -7.067 -19.847 -24.966 1.00 97.79 82 B 1 ATOM 1429 O O . GLU B 2 82 ? -7.491 -20.399 -25.982 1.00 97.30 82 B 1 ATOM 1430 C CB . GLU B 2 82 ? -6.319 -17.431 -25.011 1.00 98.01 82 B 1 ATOM 1431 C CG . GLU B 2 82 ? -6.788 -15.968 -25.098 1.00 97.23 82 B 1 ATOM 1432 C CD . GLU B 2 82 ? -5.674 -14.981 -25.486 1.00 97.01 82 B 1 ATOM 1433 O OE1 . GLU B 2 82 ? -6.017 -13.907 -26.043 1.00 93.79 82 B 1 ATOM 1434 O OE2 . GLU B 2 82 ? -4.482 -15.272 -25.235 1.00 94.22 82 B 1 ATOM 1435 N N . LYS B 2 83 ? -6.363 -20.531 -24.046 1.00 97.65 83 B 1 ATOM 1436 C CA . LYS B 2 83 ? -6.074 -21.974 -24.159 1.00 97.32 83 B 1 ATOM 1437 C C . LYS B 2 83 ? -7.333 -22.847 -24.186 1.00 96.88 83 B 1 ATOM 1438 O O . LYS B 2 83 ? -7.269 -23.969 -24.684 1.00 95.52 83 B 1 ATOM 1439 C CB . LYS B 2 83 ? -5.173 -22.418 -22.998 1.00 96.87 83 B 1 ATOM 1440 C CG . LYS B 2 83 ? -3.720 -21.970 -23.202 1.00 87.92 83 B 1 ATOM 1441 C CD . LYS B 2 83 ? -2.898 -22.277 -21.947 1.00 84.44 83 B 1 ATOM 1442 C CE . LYS B 2 83 ? -1.478 -21.734 -22.141 1.00 72.69 83 B 1 ATOM 1443 N NZ . LYS B 2 83 ? -0.640 -21.929 -20.933 1.00 65.75 83 B 1 ATOM 1444 N N . GLN B 2 84 ? -8.452 -22.369 -23.653 1.00 97.40 84 B 1 ATOM 1445 C CA . GLN B 2 84 ? -9.766 -23.024 -23.716 1.00 97.02 84 B 1 ATOM 1446 C C . GLN B 2 84 ? -10.608 -22.558 -24.921 1.00 96.94 84 B 1 ATOM 1447 O O . GLN B 2 84 ? -11.785 -22.900 -25.015 1.00 95.63 84 B 1 ATOM 1448 C CB . GLN B 2 84 ? -10.517 -22.824 -22.391 1.00 96.49 84 B 1 ATOM 1449 C CG . GLN B 2 84 ? -9.783 -23.370 -21.155 1.00 94.52 84 B 1 ATOM 1450 C CD . GLN B 2 84 ? -9.514 -24.870 -21.230 1.00 92.14 84 B 1 ATOM 1451 O OE1 . GLN B 2 84 ? -10.417 -25.681 -21.335 1.00 81.90 84 B 1 ATOM 1452 N NE2 . GLN B 2 84 ? -8.267 -25.278 -21.165 1.00 79.87 84 B 1 ATOM 1453 N N . GLY B 2 85 ? -10.030 -21.780 -25.837 1.00 96.73 85 B 1 ATOM 1454 C CA . GLY B 2 85 ? -10.669 -21.328 -27.078 1.00 96.51 85 B 1 ATOM 1455 C C . GLY B 2 85 ? -11.502 -20.050 -26.959 1.00 96.98 85 B 1 ATOM 1456 O O . GLY B 2 85 ? -12.250 -19.729 -27.886 1.00 95.96 85 B 1 ATOM 1457 N N . ILE B 2 86 ? -11.395 -19.305 -25.848 1.00 97.62 86 B 1 ATOM 1458 C CA . ILE B 2 86 ? -12.080 -18.010 -25.713 1.00 97.69 86 B 1 ATOM 1459 C C . ILE B 2 86 ? -11.295 -16.935 -26.462 1.00 97.63 86 B 1 ATOM 1460 O O . ILE B 2 86 ? -10.089 -16.793 -26.293 1.00 97.06 86 B 1 ATOM 1461 C CB . ILE B 2 86 ? -12.323 -17.633 -24.239 1.00 97.43 86 B 1 ATOM 1462 C CG1 . ILE B 2 86 ? -13.232 -18.712 -23.603 1.00 95.61 86 B 1 ATOM 1463 C CG2 . ILE B 2 86 ? -12.956 -16.233 -24.118 1.00 96.27 86 B 1 ATOM 1464 C CD1 . ILE B 2 86 ? -13.662 -18.424 -22.174 1.00 88.09 86 B 1 ATOM 1465 N N . GLN B 2 87 ? -12.011 -16.131 -27.243 1.00 97.47 87 B 1 ATOM 1466 C CA . GLN B 2 87 ? -11.465 -14.950 -27.908 1.00 97.18 87 B 1 ATOM 1467 C C . GLN B 2 87 ? -11.974 -13.682 -27.223 1.00 97.11 87 B 1 ATOM 1468 O O . GLN B 2 87 ? -13.185 -13.486 -27.071 1.00 96.14 87 B 1 ATOM 1469 C CB . GLN B 2 87 ? -11.823 -14.955 -29.392 1.00 96.32 87 B 1 ATOM 1470 C CG . GLN B 2 87 ? -11.121 -16.094 -30.151 1.00 88.42 87 B 1 ATOM 1471 C CD . GLN B 2 87 ? -11.426 -16.076 -31.651 1.00 82.01 87 B 1 ATOM 1472 O OE1 . GLN B 2 87 ? -12.199 -15.280 -32.161 1.00 73.42 87 B 1 ATOM 1473 N NE2 . GLN B 2 87 ? -10.823 -16.962 -32.409 1.00 69.45 87 B 1 ATOM 1474 N N . PHE B 2 88 ? -11.053 -12.810 -26.830 1.00 96.87 88 B 1 ATOM 1475 C CA . PHE B 2 88 ? -11.352 -11.524 -26.212 1.00 96.51 88 B 1 ATOM 1476 C C . PHE B 2 88 ? -11.282 -10.395 -27.235 1.00 95.81 88 B 1 ATOM 1477 O O . PHE B 2 88 ? -10.548 -10.468 -28.221 1.00 93.89 88 B 1 ATOM 1478 C CB . PHE B 2 88 ? -10.415 -11.292 -25.027 1.00 96.49 88 B 1 ATOM 1479 C CG . PHE B 2 88 ? -10.561 -12.340 -23.949 1.00 97.41 88 B 1 ATOM 1480 C CD1 . PHE B 2 88 ? -11.638 -12.276 -23.047 1.00 96.86 88 B 1 ATOM 1481 C CD2 . PHE B 2 88 ? -9.640 -13.398 -23.857 1.00 97.08 88 B 1 ATOM 1482 C CE1 . PHE B 2 88 ? -11.787 -13.254 -22.053 1.00 96.73 88 B 1 ATOM 1483 C CE2 . PHE B 2 88 ? -9.783 -14.380 -22.867 1.00 96.79 88 B 1 ATOM 1484 C CZ . PHE B 2 88 ? -10.859 -14.305 -21.962 1.00 97.31 88 B 1 ATOM 1485 N N . LEU B 2 89 ? -12.058 -9.353 -26.977 1.00 94.53 89 B 1 ATOM 1486 C CA . LEU B 2 89 ? -12.039 -8.117 -27.749 1.00 93.72 89 B 1 ATOM 1487 C C . LEU B 2 89 ? -11.372 -7.020 -26.925 1.00 93.45 89 B 1 ATOM 1488 O O . LEU B 2 89 ? -11.598 -6.917 -25.717 1.00 91.82 89 B 1 ATOM 1489 C CB . LEU B 2 89 ? -13.466 -7.727 -28.164 1.00 91.33 89 B 1 ATOM 1490 C CG . LEU B 2 89 ? -14.153 -8.743 -29.098 1.00 83.55 89 B 1 ATOM 1491 C CD1 . LEU B 2 89 ? -15.606 -8.338 -29.318 1.00 78.18 89 B 1 ATOM 1492 C CD2 . LEU B 2 89 ? -13.458 -8.832 -30.464 1.00 76.56 89 B 1 ATOM 1493 N N . GLU B 2 90 ? -10.573 -6.201 -27.585 1.00 93.34 90 B 1 ATOM 1494 C CA . GLU B 2 90 ? -10.034 -4.974 -27.005 1.00 92.51 90 B 1 ATOM 1495 C C . GLU B 2 90 ? -11.013 -3.839 -27.315 1.00 90.89 90 B 1 ATOM 1496 O O . GLU B 2 90 ? -11.197 -3.452 -28.471 1.00 86.94 90 B 1 ATOM 1497 C CB . GLU B 2 90 ? -8.610 -4.745 -27.528 1.00 89.40 90 B 1 ATOM 1498 C CG . GLU B 2 90 ? -7.890 -3.613 -26.781 1.00 77.79 90 B 1 ATOM 1499 C CD . GLU B 2 90 ? -6.369 -3.632 -27.007 1.00 77.08 90 B 1 ATOM 1500 O OE1 . GLU B 2 90 ? -5.647 -3.151 -26.104 1.00 69.98 90 B 1 ATOM 1501 O OE2 . GLU B 2 90 ? -5.903 -4.156 -28.045 1.00 72.32 90 B 1 ATOM 1502 N N . HIS B 2 91 ? -11.705 -3.363 -26.275 1.00 90.86 91 B 1 ATOM 1503 C CA . HIS B 2 91 ? -12.667 -2.274 -26.407 1.00 88.12 91 B 1 ATOM 1504 C C . HIS B 2 91 ? -11.927 -0.944 -26.332 1.00 84.92 91 B 1 ATOM 1505 O O . HIS B 2 91 ? -11.761 -0.359 -25.260 1.00 78.07 91 B 1 ATOM 1506 C CB . HIS B 2 91 ? -13.771 -2.391 -25.353 1.00 83.57 91 B 1 ATOM 1507 C CG . HIS B 2 91 ? -14.664 -3.578 -25.593 1.00 73.40 91 B 1 ATOM 1508 N ND1 . HIS B 2 91 ? -15.737 -3.630 -26.458 1.00 63.44 91 B 1 ATOM 1509 C CD2 . HIS B 2 91 ? -14.549 -4.815 -25.025 1.00 61.80 91 B 1 ATOM 1510 C CE1 . HIS B 2 91 ? -16.262 -4.869 -26.399 1.00 60.59 91 B 1 ATOM 1511 N NE2 . HIS B 2 91 ? -15.565 -5.613 -25.540 1.00 60.26 91 B 1 ATOM 1512 N N . HIS B 2 92 ? -11.489 -0.443 -27.479 1.00 82.98 92 B 1 ATOM 1513 C CA . HIS B 2 92 ? -11.056 0.942 -27.558 1.00 79.00 92 B 1 ATOM 1514 C C . HIS B 2 92 ? -12.263 1.824 -27.247 1.00 74.96 92 B 1 ATOM 1515 O O . HIS B 2 92 ? -13.294 1.740 -27.914 1.00 65.40 92 B 1 ATOM 1516 C CB . HIS B 2 92 ? -10.452 1.247 -28.931 1.00 71.74 92 B 1 ATOM 1517 C CG . HIS B 2 92 ? -9.236 0.411 -29.234 1.00 64.11 92 B 1 ATOM 1518 N ND1 . HIS B 2 92 ? -8.094 0.292 -28.464 1.00 57.28 92 B 1 ATOM 1519 C CD2 . HIS B 2 92 ? -9.064 -0.404 -30.324 1.00 54.65 92 B 1 ATOM 1520 C CE1 . HIS B 2 92 ? -7.260 -0.573 -29.075 1.00 53.21 92 B 1 ATOM 1521 N NE2 . HIS B 2 92 ? -7.812 -1.006 -30.213 1.00 53.55 92 B 1 ATOM 1522 N N . HIS B 2 93 ? -12.135 2.687 -26.225 1.00 69.24 93 B 1 ATOM 1523 C CA . HIS B 2 93 ? -13.022 3.836 -26.135 1.00 67.10 93 B 1 ATOM 1524 C C . HIS B 2 93 ? -12.774 4.673 -27.391 1.00 64.73 93 B 1 ATOM 1525 O O . HIS B 2 93 ? -11.829 5.458 -27.455 1.00 58.81 93 B 1 ATOM 1526 C CB . HIS B 2 93 ? -12.776 4.629 -24.843 1.00 61.35 93 B 1 ATOM 1527 C CG . HIS B 2 93 ? -13.360 3.961 -23.624 1.00 54.61 93 B 1 ATOM 1528 N ND1 . HIS B 2 93 ? -14.706 3.828 -23.343 1.00 50.02 93 B 1 ATOM 1529 C CD2 . HIS B 2 93 ? -12.678 3.381 -22.582 1.00 46.82 93 B 1 ATOM 1530 C CE1 . HIS B 2 93 ? -14.828 3.184 -22.165 1.00 44.77 93 B 1 ATOM 1531 N NE2 . HIS B 2 93 ? -13.620 2.904 -21.673 1.00 44.97 93 B 1 ATOM 1532 N N . HIS B 2 94 ? -13.608 4.468 -28.404 1.00 61.54 94 B 1 ATOM 1533 C CA . HIS B 2 94 ? -13.724 5.456 -29.452 1.00 61.57 94 B 1 ATOM 1534 C C . HIS B 2 94 ? -14.181 6.738 -28.754 1.00 59.53 94 B 1 ATOM 1535 O O . HIS B 2 94 ? -15.306 6.826 -28.261 1.00 54.10 94 B 1 ATOM 1536 C CB . HIS B 2 94 ? -14.693 4.987 -30.546 1.00 57.17 94 B 1 ATOM 1537 C CG . HIS B 2 94 ? -14.089 3.946 -31.452 1.00 50.64 94 B 1 ATOM 1538 N ND1 . HIS B 2 94 ? -13.158 4.185 -32.445 1.00 46.62 94 B 1 ATOM 1539 C CD2 . HIS B 2 94 ? -14.339 2.599 -31.466 1.00 43.52 94 B 1 ATOM 1540 C CE1 . HIS B 2 94 ? -12.863 3.016 -33.041 1.00 42.20 94 B 1 ATOM 1541 N NE2 . HIS B 2 94 ? -13.559 2.027 -32.474 1.00 42.91 94 B 1 ATOM 1542 N N . HIS B 2 95 ? -13.273 7.717 -28.680 1.00 58.00 95 B 1 ATOM 1543 C CA . HIS B 2 95 ? -13.686 9.097 -28.546 1.00 59.45 95 B 1 ATOM 1544 C C . HIS B 2 95 ? -14.531 9.409 -29.785 1.00 57.88 95 B 1 ATOM 1545 O O . HIS B 2 95 ? -13.998 9.759 -30.838 1.00 53.07 95 B 1 ATOM 1546 C CB . HIS B 2 95 ? -12.460 10.019 -28.434 1.00 55.69 95 B 1 ATOM 1547 C CG . HIS B 2 95 ? -11.789 9.968 -27.088 1.00 50.01 95 B 1 ATOM 1548 N ND1 . HIS B 2 95 ? -12.241 10.586 -25.943 1.00 46.13 95 B 1 ATOM 1549 C CD2 . HIS B 2 95 ? -10.609 9.345 -26.758 1.00 43.17 95 B 1 ATOM 1550 C CE1 . HIS B 2 95 ? -11.362 10.346 -24.952 1.00 42.80 95 B 1 ATOM 1551 N NE2 . HIS B 2 95 ? -10.353 9.597 -25.410 1.00 43.14 95 B 1 ATOM 1552 N N . HIS B 2 96 ? -15.830 9.157 -29.650 1.00 56.77 96 B 1 ATOM 1553 C CA . HIS B 2 96 ? -16.821 9.885 -30.427 1.00 57.51 96 B 1 ATOM 1554 C C . HIS B 2 96 ? -17.044 11.241 -29.762 1.00 54.22 96 B 1 ATOM 1555 O O . HIS B 2 96 ? -17.052 11.295 -28.513 1.00 49.28 96 B 1 ATOM 1556 C CB . HIS B 2 96 ? -18.115 9.069 -30.554 1.00 52.78 96 B 1 ATOM 1557 C CG . HIS B 2 96 ? -18.009 7.967 -31.591 1.00 48.86 96 B 1 ATOM 1558 N ND1 . HIS B 2 96 ? -17.846 8.171 -32.940 1.00 44.77 96 B 1 ATOM 1559 C CD2 . HIS B 2 96 ? -18.067 6.612 -31.403 1.00 42.12 96 B 1 ATOM 1560 C CE1 . HIS B 2 96 ? -17.797 6.962 -33.545 1.00 42.77 96 B 1 ATOM 1561 N NE2 . HIS B 2 96 ? -17.934 5.996 -32.640 1.00 46.57 96 B 1 ATOM 1562 O OXT . HIS B 2 96 ? -17.223 12.225 -30.513 1.00 44.72 96 B 1 #