# 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 88.37 _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 86.13 1 1 A LYS 2 2 83.14 1 2 A ILE 3 2 95.02 1 3 A THR 4 2 95.24 1 4 A SER 5 2 93.49 1 5 A SER 6 2 91.78 1 6 A ASN 7 2 94.19 1 7 A PHE 8 2 96.37 1 8 A ALA 9 2 93.32 1 9 A THR 10 2 91.59 1 10 A ILE 11 2 92.85 1 11 A ALA 12 2 94.45 1 12 A THR 13 2 93.26 1 13 A SER 14 2 90.75 1 14 A GLU 15 2 83.91 1 15 A ASN 16 2 94.88 1 16 A PHE 17 2 96.31 1 17 A ALA 18 2 96.15 1 18 A LYS 19 2 93.50 1 19 A LEU 20 2 97.09 1 20 A SER 21 2 94.38 1 21 A VAL 22 2 91.20 1 22 A LEU 23 2 95.89 1 23 A PRO 24 2 94.61 1 24 A LYS 25 2 84.04 1 25 A ASN 26 2 88.28 1 26 A HIS 27 2 88.78 1 27 A ARG 28 2 88.86 1 28 A GLU 29 2 87.46 1 29 A PRO 30 2 95.54 1 30 A ILE 31 2 97.58 1 31 A LYS 32 2 92.47 1 32 A GLY 33 2 96.11 1 33 A LEU 34 2 94.86 1 34 A PHE 35 2 96.91 1 35 A LYS 36 2 88.25 1 36 A SER 37 2 94.97 1 37 A ALA 38 2 97.19 1 38 A VAL 39 2 95.86 1 39 A GLU 40 2 88.40 1 40 A GLN 41 2 94.45 1 41 A PHE 42 2 94.65 1 42 A SER 43 2 88.11 1 43 A SER 44 2 86.32 1 44 A ALA 45 2 93.35 1 45 A ARG 46 2 73.37 1 46 A ASP 47 2 84.73 1 47 A PHE 48 2 93.02 1 48 A PHE 49 2 94.73 1 49 A LYS 50 2 85.17 1 50 A ASN 51 2 86.41 1 51 A GLU 52 2 77.54 1 52 A ASN 53 2 88.97 1 53 A TYR 54 2 92.69 1 54 A SER 55 2 93.81 1 55 A LYS 56 2 84.51 1 56 A GLU 57 2 84.85 1 57 A LEU 58 2 94.46 1 58 A ALA 59 2 96.32 1 59 A GLU 60 2 89.58 1 60 A LYS 61 2 88.29 1 61 A PHE 62 2 94.94 1 62 A ASN 63 2 94.73 1 63 A LYS 64 2 87.68 1 64 A GLU 65 2 89.36 1 65 A ALA 66 2 96.62 1 66 A VAL 67 2 97.15 1 67 A ASN 68 2 93.19 1 68 A GLU 69 2 93.27 1 69 A ALA 70 2 97.56 1 70 A VAL 71 2 97.84 1 71 A GLU 72 2 91.52 1 72 A LYS 73 2 92.16 1 73 A LEU 74 2 97.61 1 74 A GLN 75 2 96.65 1 75 A LYS 76 2 89.90 1 76 A ALA 77 2 98.09 1 77 A ILE 78 2 96.00 1 78 A ASP 79 2 96.81 1 79 A LEU 80 2 96.92 1 80 A ALA 81 2 97.54 1 81 A GLU 82 2 96.24 1 82 A LYS 83 2 87.98 1 83 A GLN 84 2 91.79 1 84 A GLY 85 2 96.09 1 85 A ILE 86 2 95.03 1 86 A GLN 87 2 87.56 1 87 A PHE 88 2 95.17 1 88 A LEU 89 2 84.99 1 89 A GLU 90 2 79.25 1 90 A HIS 91 2 59.40 1 91 A HIS 92 2 53.09 1 92 A HIS 93 2 50.29 1 93 A HIS 94 2 46.37 1 94 A HIS 95 2 45.12 1 95 A HIS 96 2 45.51 1 96 B MET 1 2 86.30 1 97 B LYS 2 2 83.06 1 98 B ILE 3 2 95.19 1 99 B THR 4 2 95.27 1 100 B SER 5 2 93.60 1 101 B SER 6 2 91.88 1 102 B ASN 7 2 94.05 1 103 B PHE 8 2 96.10 1 104 B ALA 9 2 93.27 1 105 B THR 10 2 91.47 1 106 B ILE 11 2 92.73 1 107 B ALA 12 2 94.28 1 108 B THR 13 2 93.18 1 109 B SER 14 2 90.63 1 110 B GLU 15 2 83.55 1 111 B ASN 16 2 94.77 1 112 B PHE 17 2 95.98 1 113 B ALA 18 2 96.00 1 114 B LYS 19 2 93.46 1 115 B LEU 20 2 96.94 1 116 B SER 21 2 94.08 1 117 B VAL 22 2 90.88 1 118 B LEU 23 2 95.69 1 119 B PRO 24 2 94.15 1 120 B LYS 25 2 84.00 1 121 B ASN 26 2 88.03 1 122 B HIS 27 2 88.59 1 123 B ARG 28 2 88.80 1 124 B GLU 29 2 87.24 1 125 B PRO 30 2 95.25 1 126 B ILE 31 2 97.52 1 127 B LYS 32 2 92.33 1 128 B GLY 33 2 96.25 1 129 B LEU 34 2 95.07 1 130 B PHE 35 2 96.79 1 131 B LYS 36 2 88.34 1 132 B SER 37 2 95.30 1 133 B ALA 38 2 97.28 1 134 B VAL 39 2 95.95 1 135 B GLU 40 2 88.31 1 136 B GLN 41 2 94.56 1 137 B PHE 42 2 94.62 1 138 B SER 43 2 88.06 1 139 B SER 44 2 86.19 1 140 B ALA 45 2 93.09 1 141 B ARG 46 2 73.27 1 142 B ASP 47 2 84.29 1 143 B PHE 48 2 92.76 1 144 B PHE 49 2 94.60 1 145 B LYS 50 2 85.08 1 146 B ASN 51 2 86.12 1 147 B GLU 52 2 77.57 1 148 B ASN 53 2 88.85 1 149 B TYR 54 2 92.47 1 150 B SER 55 2 93.88 1 151 B LYS 56 2 84.33 1 152 B GLU 57 2 85.01 1 153 B LEU 58 2 94.36 1 154 B ALA 59 2 96.34 1 155 B GLU 60 2 89.25 1 156 B LYS 61 2 88.28 1 157 B PHE 62 2 94.94 1 158 B ASN 63 2 94.78 1 159 B LYS 64 2 87.96 1 160 B GLU 65 2 89.58 1 161 B ALA 66 2 96.71 1 162 B VAL 67 2 97.21 1 163 B ASN 68 2 93.43 1 164 B GLU 69 2 93.39 1 165 B ALA 70 2 97.59 1 166 B VAL 71 2 97.87 1 167 B GLU 72 2 91.38 1 168 B LYS 73 2 92.21 1 169 B LEU 74 2 97.58 1 170 B GLN 75 2 96.73 1 171 B LYS 76 2 90.12 1 172 B ALA 77 2 98.01 1 173 B ILE 78 2 96.15 1 174 B ASP 79 2 96.83 1 175 B LEU 80 2 96.79 1 176 B ALA 81 2 97.50 1 177 B GLU 82 2 96.23 1 178 B LYS 83 2 87.81 1 179 B GLN 84 2 91.65 1 180 B GLY 85 2 95.95 1 181 B ILE 86 2 95.06 1 182 B GLN 87 2 87.07 1 183 B PHE 88 2 94.93 1 184 B LEU 89 2 84.87 1 185 B GLU 90 2 78.92 1 186 B HIS 91 2 59.54 1 187 B HIS 92 2 53.40 1 188 B HIS 93 2 51.02 1 189 B HIS 94 2 47.33 1 190 B HIS 95 2 45.46 1 191 B HIS 96 2 46.38 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 ? 22.228 19.619 8.312 1.00 87.98 1 A 1 ATOM 2 C CA . MET A 1 1 ? 22.453 18.529 7.346 1.00 93.04 1 A 1 ATOM 3 C C . MET A 1 1 ? 21.191 18.333 6.510 1.00 95.65 1 A 1 ATOM 4 O O . MET A 1 1 ? 20.124 18.138 7.082 1.00 95.11 1 A 1 ATOM 5 C CB . MET A 1 1 ? 22.827 17.258 8.108 1.00 87.30 1 A 1 ATOM 6 C CG . MET A 1 1 ? 23.363 16.164 7.206 1.00 81.81 1 A 1 ATOM 7 S SD . MET A 1 1 ? 23.858 14.711 8.169 1.00 79.64 1 A 1 ATOM 8 C CE . MET A 1 1 ? 24.949 13.914 6.988 1.00 68.49 1 A 1 ATOM 9 N N . LYS A 1 2 ? 21.294 18.401 5.173 1.00 94.04 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 20.137 18.261 4.276 1.00 95.58 2 A 1 ATOM 11 C C . LYS A 1 2 ? 19.993 16.823 3.793 1.00 96.35 2 A 1 ATOM 12 O O . LYS A 1 2 ? 20.897 16.295 3.142 1.00 95.40 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 20.244 19.252 3.111 1.00 94.34 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 18.988 19.217 2.226 1.00 82.62 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 19.077 20.233 1.087 1.00 73.91 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 17.822 20.134 0.223 1.00 61.96 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 17.855 21.079 -0.920 1.00 54.02 2 A 1 ATOM 18 N N . ILE A 1 3 ? 18.852 16.215 4.074 1.00 96.60 3 A 1 ATOM 19 C CA . ILE A 1 3 ? 18.530 14.857 3.629 1.00 96.96 3 A 1 ATOM 20 C C . ILE A 1 3 ? 17.830 14.910 2.268 1.00 97.08 3 A 1 ATOM 21 O O . ILE A 1 3 ? 16.955 15.739 2.032 1.00 96.66 3 A 1 ATOM 22 C CB . ILE A 1 3 ? 17.684 14.111 4.679 1.00 96.66 3 A 1 ATOM 23 C CG1 . ILE A 1 3 ? 18.218 14.281 6.121 1.00 94.49 3 A 1 ATOM 24 C CG2 . ILE A 1 3 ? 17.572 12.625 4.321 1.00 95.61 3 A 1 ATOM 25 C CD1 . ILE A 1 3 ? 19.690 13.930 6.313 1.00 86.09 3 A 1 ATOM 26 N N . THR A 1 4 ? 18.217 13.999 1.390 1.00 97.12 4 A 1 ATOM 27 C CA . THR A 1 4 ? 17.594 13.775 0.078 1.00 96.61 4 A 1 ATOM 28 C C . THR A 1 4 ? 17.436 12.274 -0.162 1.00 96.60 4 A 1 ATOM 29 O O . THR A 1 4 ? 18.009 11.457 0.564 1.00 96.02 4 A 1 ATOM 30 C CB . THR A 1 4 ? 18.429 14.391 -1.058 1.00 95.78 4 A 1 ATOM 31 O OG1 . THR A 1 4 ? 19.641 13.699 -1.217 1.00 92.83 4 A 1 ATOM 32 C CG2 . THR A 1 4 ? 18.752 15.870 -0.841 1.00 91.72 4 A 1 ATOM 33 N N . SER A 1 5 ? 16.707 11.877 -1.191 1.00 96.41 5 A 1 ATOM 34 C CA . SER A 1 5 ? 16.629 10.461 -1.582 1.00 95.71 5 A 1 ATOM 35 C C . SER A 1 5 ? 17.994 9.884 -1.982 1.00 95.21 5 A 1 ATOM 36 O O . SER A 1 5 ? 18.240 8.696 -1.784 1.00 94.01 5 A 1 ATOM 37 C CB . SER A 1 5 ? 15.634 10.295 -2.732 1.00 94.87 5 A 1 ATOM 38 O OG . SER A 1 5 ? 15.969 11.147 -3.807 1.00 84.72 5 A 1 ATOM 39 N N . SER A 1 6 ? 18.898 10.723 -2.484 1.00 95.13 6 A 1 ATOM 40 C CA . SER A 1 6 ? 20.220 10.301 -2.971 1.00 94.19 6 A 1 ATOM 41 C C . SER A 1 6 ? 21.227 10.038 -1.849 1.00 93.87 6 A 1 ATOM 42 O O . SER A 1 6 ? 22.028 9.115 -1.958 1.00 91.82 6 A 1 ATOM 43 C CB . SER A 1 6 ? 20.792 11.359 -3.917 1.00 93.11 6 A 1 ATOM 44 O OG . SER A 1 6 ? 19.885 11.619 -4.973 1.00 82.57 6 A 1 ATOM 45 N N . ASN A 1 7 ? 21.205 10.822 -0.762 1.00 95.20 7 A 1 ATOM 46 C CA . ASN A 1 7 ? 22.134 10.663 0.364 1.00 95.12 7 A 1 ATOM 47 C C . ASN A 1 7 ? 21.516 9.949 1.577 1.00 95.74 7 A 1 ATOM 48 O O . ASN A 1 7 ? 22.224 9.677 2.545 1.00 95.07 7 A 1 ATOM 49 C CB . ASN A 1 7 ? 22.762 12.022 0.726 1.00 94.24 7 A 1 ATOM 50 C CG . ASN A 1 7 ? 21.815 12.996 1.399 1.00 94.76 7 A 1 ATOM 51 O OD1 . ASN A 1 7 ? 20.658 12.728 1.637 1.00 91.85 7 A 1 ATOM 52 N ND2 . ASN A 1 7 ? 22.301 14.175 1.725 1.00 91.51 7 A 1 ATOM 53 N N . PHE A 1 8 ? 20.236 9.608 1.532 1.00 95.86 8 A 1 ATOM 54 C CA . PHE A 1 8 ? 19.514 8.989 2.646 1.00 96.12 8 A 1 ATOM 55 C C . PHE A 1 8 ? 20.266 7.795 3.248 1.00 95.64 8 A 1 ATOM 56 O O . PHE A 1 8 ? 20.491 7.743 4.458 1.00 94.56 8 A 1 ATOM 57 C CB . PHE A 1 8 ? 18.122 8.568 2.158 1.00 96.43 8 A 1 ATOM 58 C CG . PHE A 1 8 ? 17.213 8.066 3.253 1.00 97.20 8 A 1 ATOM 59 C CD1 . PHE A 1 8 ? 17.347 6.763 3.755 1.00 96.96 8 A 1 ATOM 60 C CD2 . PHE A 1 8 ? 16.224 8.909 3.784 1.00 96.91 8 A 1 ATOM 61 C CE1 . PHE A 1 8 ? 16.519 6.313 4.792 1.00 96.68 8 A 1 ATOM 62 C CE2 . PHE A 1 8 ? 15.390 8.461 4.814 1.00 96.66 8 A 1 ATOM 63 C CZ . PHE A 1 8 ? 15.543 7.166 5.324 1.00 97.10 8 A 1 ATOM 64 N N . ALA A 1 9 ? 20.689 6.855 2.413 1.00 94.84 9 A 1 ATOM 65 C CA . ALA A 1 9 ? 21.357 5.633 2.868 1.00 93.89 9 A 1 ATOM 66 C C . ALA A 1 9 ? 22.743 5.883 3.494 1.00 93.68 9 A 1 ATOM 67 O O . ALA A 1 9 ? 23.180 5.094 4.328 1.00 91.98 9 A 1 ATOM 68 C CB . ALA A 1 9 ? 21.447 4.665 1.685 1.00 92.21 9 A 1 ATOM 69 N N . THR A 1 10 ? 23.425 6.970 3.134 1.00 94.72 10 A 1 ATOM 70 C CA . THR A 1 10 ? 24.743 7.316 3.696 1.00 94.17 10 A 1 ATOM 71 C C . THR A 1 10 ? 24.627 8.010 5.055 1.00 94.21 10 A 1 ATOM 72 O O . THR A 1 10 ? 25.583 8.021 5.825 1.00 93.04 10 A 1 ATOM 73 C CB . THR A 1 10 ? 25.567 8.188 2.733 1.00 93.01 10 A 1 ATOM 74 O OG1 . THR A 1 10 ? 24.956 9.433 2.508 1.00 86.73 10 A 1 ATOM 75 C CG2 . THR A 1 10 ? 25.754 7.519 1.369 1.00 85.27 10 A 1 ATOM 76 N N . ILE A 1 11 ? 23.460 8.555 5.372 1.00 95.61 11 A 1 ATOM 77 C CA . ILE A 1 11 ? 23.175 9.239 6.638 1.00 95.47 11 A 1 ATOM 78 C C . ILE A 1 11 ? 22.439 8.314 7.615 1.00 95.53 11 A 1 ATOM 79 O O . ILE A 1 11 ? 22.758 8.288 8.803 1.00 94.94 11 A 1 ATOM 80 C CB . ILE A 1 11 ? 22.375 10.527 6.356 1.00 95.12 11 A 1 ATOM 81 C CG1 . ILE A 1 11 ? 23.225 11.505 5.511 1.00 92.31 11 A 1 ATOM 82 C CG2 . ILE A 1 11 ? 21.933 11.195 7.669 1.00 91.99 11 A 1 ATOM 83 C CD1 . ILE A 1 11 ? 22.395 12.596 4.830 1.00 81.85 11 A 1 ATOM 84 N N . ALA A 1 12 ? 21.478 7.533 7.129 1.00 95.40 12 A 1 ATOM 85 C CA . ALA A 1 12 ? 20.680 6.600 7.923 1.00 94.85 12 A 1 ATOM 86 C C . ALA A 1 12 ? 21.457 5.314 8.259 1.00 94.45 12 A 1 ATOM 87 O O . ALA A 1 12 ? 21.043 4.203 7.931 1.00 93.12 12 A 1 ATOM 88 C CB . ALA A 1 12 ? 19.364 6.338 7.195 1.00 94.43 12 A 1 ATOM 89 N N . THR A 1 13 ? 22.601 5.468 8.924 1.00 94.40 13 A 1 ATOM 90 C CA . THR A 1 13 ? 23.508 4.373 9.285 1.00 93.98 13 A 1 ATOM 91 C C . THR A 1 13 ? 23.342 3.960 10.747 1.00 94.32 13 A 1 ATOM 92 O O . THR A 1 13 ? 22.879 4.736 11.588 1.00 94.25 13 A 1 ATOM 93 C CB . THR A 1 13 ? 24.972 4.744 9.005 1.00 93.20 13 A 1 ATOM 94 O OG1 . THR A 1 13 ? 25.392 5.763 9.878 1.00 91.54 13 A 1 ATOM 95 C CG2 . THR A 1 13 ? 25.196 5.222 7.568 1.00 91.13 13 A 1 ATOM 96 N N . SER A 1 14 ? 23.766 2.740 11.079 1.00 92.97 14 A 1 ATOM 97 C CA . SER A 1 14 ? 23.799 2.256 12.465 1.00 92.90 14 A 1 ATOM 98 C C . SER A 1 14 ? 24.719 3.099 13.353 1.00 93.51 14 A 1 ATOM 99 O O . SER A 1 14 ? 24.402 3.330 14.518 1.00 93.34 14 A 1 ATOM 100 C CB . SER A 1 14 ? 24.243 0.790 12.494 1.00 91.54 14 A 1 ATOM 101 O OG . SER A 1 14 ? 25.467 0.619 11.808 1.00 80.22 14 A 1 ATOM 102 N N . GLU A 1 15 ? 25.812 3.613 12.805 1.00 93.38 15 A 1 ATOM 103 C CA . GLU A 1 15 ? 26.740 4.501 13.512 1.00 93.35 15 A 1 ATOM 104 C C . GLU A 1 15 ? 26.065 5.820 13.901 1.00 94.43 15 A 1 ATOM 105 O O . GLU A 1 15 ? 26.111 6.222 15.067 1.00 94.42 15 A 1 ATOM 106 C CB . GLU A 1 15 ? 27.958 4.747 12.613 1.00 92.09 15 A 1 ATOM 107 C CG . GLU A 1 15 ? 29.044 5.572 13.315 1.00 80.07 15 A 1 ATOM 108 C CD . GLU A 1 15 ? 30.254 5.865 12.426 1.00 73.20 15 A 1 ATOM 109 O OE1 . GLU A 1 15 ? 31.104 6.664 12.866 1.00 66.66 15 A 1 ATOM 110 O OE2 . GLU A 1 15 ? 30.338 5.300 11.313 1.00 67.57 15 A 1 ATOM 111 N N . ASN A 1 16 ? 25.379 6.473 12.968 1.00 95.07 16 A 1 ATOM 112 C CA . ASN A 1 16 ? 24.633 7.697 13.255 1.00 95.62 16 A 1 ATOM 113 C C . ASN A 1 16 ? 23.477 7.440 14.233 1.00 96.29 16 A 1 ATOM 114 O O . ASN A 1 16 ? 23.270 8.222 15.157 1.00 96.41 16 A 1 ATOM 115 C CB . ASN A 1 16 ? 24.152 8.320 11.941 1.00 95.43 16 A 1 ATOM 116 C CG . ASN A 1 16 ? 25.238 9.116 11.230 1.00 95.17 16 A 1 ATOM 117 O OD1 . ASN A 1 16 ? 26.194 9.590 11.824 1.00 92.71 16 A 1 ATOM 118 N ND2 . ASN A 1 16 ? 25.077 9.339 9.944 1.00 92.37 16 A 1 ATOM 119 N N . PHE A 1 17 ? 22.772 6.323 14.090 1.00 96.28 17 A 1 ATOM 120 C CA . PHE A 1 17 ? 21.714 5.938 15.027 1.00 96.62 17 A 1 ATOM 121 C C . PHE A 1 17 ? 22.249 5.755 16.454 1.00 96.83 17 A 1 ATOM 122 O O . PHE A 1 17 ? 21.617 6.205 17.412 1.00 96.93 17 A 1 ATOM 123 C CB . PHE A 1 17 ? 21.022 4.665 14.534 1.00 96.59 17 A 1 ATOM 124 C CG . PHE A 1 17 ? 19.864 4.261 15.416 1.00 96.80 17 A 1 ATOM 125 C CD1 . PHE A 1 17 ? 18.650 4.955 15.339 1.00 96.26 17 A 1 ATOM 126 C CD2 . PHE A 1 17 ? 20.006 3.227 16.355 1.00 96.32 17 A 1 ATOM 127 C CE1 . PHE A 1 17 ? 17.588 4.622 16.187 1.00 95.51 17 A 1 ATOM 128 C CE2 . PHE A 1 17 ? 18.946 2.888 17.210 1.00 95.52 17 A 1 ATOM 129 C CZ . PHE A 1 17 ? 17.739 3.592 17.126 1.00 95.76 17 A 1 ATOM 130 N N . ALA A 1 18 ? 23.429 5.147 16.614 1.00 96.48 18 A 1 ATOM 131 C CA . ALA A 1 18 ? 24.046 4.925 17.923 1.00 96.28 18 A 1 ATOM 132 C C . ALA A 1 18 ? 24.335 6.241 18.673 1.00 96.39 18 A 1 ATOM 133 O O . ALA A 1 18 ? 24.198 6.288 19.897 1.00 96.02 18 A 1 ATOM 134 C CB . ALA A 1 18 ? 25.316 4.089 17.731 1.00 95.57 18 A 1 ATOM 135 N N . LYS A 1 19 ? 24.634 7.326 17.965 1.00 96.82 19 A 1 ATOM 136 C CA . LYS A 1 19 ? 24.860 8.656 18.566 1.00 96.86 19 A 1 ATOM 137 C C . LYS A 1 19 ? 23.629 9.195 19.305 1.00 97.22 19 A 1 ATOM 138 O O . LYS A 1 19 ? 23.776 9.946 20.267 1.00 96.84 19 A 1 ATOM 139 C CB . LYS A 1 19 ? 25.301 9.650 17.483 1.00 96.17 19 A 1 ATOM 140 C CG . LYS A 1 19 ? 26.648 9.268 16.851 1.00 95.04 19 A 1 ATOM 141 C CD . LYS A 1 19 ? 27.018 10.236 15.732 1.00 92.67 19 A 1 ATOM 142 C CE . LYS A 1 19 ? 28.352 9.817 15.117 1.00 88.31 19 A 1 ATOM 143 N NZ . LYS A 1 19 ? 28.826 10.811 14.129 1.00 81.54 19 A 1 ATOM 144 N N . LEU A 1 20 ? 22.434 8.773 18.925 1.00 97.52 20 A 1 ATOM 145 C CA . LEU A 1 20 ? 21.191 9.180 19.592 1.00 97.55 20 A 1 ATOM 146 C C . LEU A 1 20 ? 21.093 8.671 21.040 1.00 97.39 20 A 1 ATOM 147 O O . LEU A 1 20 ? 20.337 9.229 21.830 1.00 96.87 20 A 1 ATOM 148 C CB . LEU A 1 20 ? 19.978 8.691 18.783 1.00 97.51 20 A 1 ATOM 149 C CG . LEU A 1 20 ? 19.928 9.155 17.317 1.00 97.12 20 A 1 ATOM 150 C CD1 . LEU A 1 20 ? 18.679 8.581 16.651 1.00 96.54 20 A 1 ATOM 151 C CD2 . LEU A 1 20 ? 19.900 10.674 17.191 1.00 96.20 20 A 1 ATOM 152 N N . SER A 1 21 ? 21.859 7.649 21.409 1.00 97.23 21 A 1 ATOM 153 C CA . SER A 1 21 ? 21.873 7.109 22.778 1.00 96.59 21 A 1 ATOM 154 C C . SER A 1 21 ? 22.384 8.107 23.828 1.00 96.40 21 A 1 ATOM 155 O O . SER A 1 21 ? 22.038 7.987 25.004 1.00 94.48 21 A 1 ATOM 156 C CB . SER A 1 21 ? 22.702 5.822 22.828 1.00 95.39 21 A 1 ATOM 157 O OG . SER A 1 21 ? 24.077 6.085 22.630 1.00 86.20 21 A 1 ATOM 158 N N . VAL A 1 22 ? 23.158 9.108 23.414 1.00 96.06 22 A 1 ATOM 159 C CA . VAL A 1 22 ? 23.720 10.160 24.281 1.00 95.42 22 A 1 ATOM 160 C C . VAL A 1 22 ? 22.660 11.192 24.694 1.00 95.95 22 A 1 ATOM 161 O O . VAL A 1 22 ? 22.801 11.848 25.724 1.00 93.55 22 A 1 ATOM 162 C CB . VAL A 1 22 ? 24.903 10.855 23.567 1.00 92.88 22 A 1 ATOM 163 C CG1 . VAL A 1 22 ? 25.616 11.863 24.468 1.00 81.85 22 A 1 ATOM 164 C CG2 . VAL A 1 22 ? 25.951 9.838 23.095 1.00 82.71 22 A 1 ATOM 165 N N . LEU A 1 23 ? 21.591 11.331 23.924 1.00 96.71 23 A 1 ATOM 166 C CA . LEU A 1 23 ? 20.532 12.301 24.206 1.00 96.67 23 A 1 ATOM 167 C C . LEU A 1 23 ? 19.817 11.999 25.531 1.00 96.45 23 A 1 ATOM 168 O O . LEU A 1 23 ? 19.649 10.831 25.902 1.00 95.61 23 A 1 ATOM 169 C CB . LEU A 1 23 ? 19.519 12.311 23.053 1.00 96.49 23 A 1 ATOM 170 C CG . LEU A 1 23 ? 20.060 12.853 21.722 1.00 95.86 23 A 1 ATOM 171 C CD1 . LEU A 1 23 ? 19.061 12.549 20.611 1.00 94.79 23 A 1 ATOM 172 C CD2 . LEU A 1 23 ? 20.280 14.362 21.788 1.00 94.53 23 A 1 ATOM 173 N N . PRO A 1 24 ? 19.314 13.023 26.243 1.00 96.15 24 A 1 ATOM 174 C CA . PRO A 1 24 ? 18.429 12.803 27.384 1.00 95.39 24 A 1 ATOM 175 C C . PRO A 1 24 ? 17.128 12.120 26.932 1.00 95.71 24 A 1 ATOM 176 O O . PRO A 1 24 ? 16.665 12.317 25.805 1.00 94.68 24 A 1 ATOM 177 C CB . PRO A 1 24 ? 18.201 14.192 27.988 1.00 93.68 24 A 1 ATOM 178 C CG . PRO A 1 24 ? 18.393 15.135 26.800 1.00 91.68 24 A 1 ATOM 179 C CD . PRO A 1 24 ? 19.465 14.442 25.962 1.00 95.01 24 A 1 ATOM 180 N N . LYS A 1 25 ? 16.524 11.322 27.823 1.00 95.02 25 A 1 ATOM 181 C CA . LYS A 1 25 ? 15.406 10.424 27.486 1.00 94.74 25 A 1 ATOM 182 C C . LYS A 1 25 ? 14.233 11.118 26.783 1.00 94.78 25 A 1 ATOM 183 O O . LYS A 1 25 ? 13.660 10.545 25.856 1.00 92.19 25 A 1 ATOM 184 C CB . LYS A 1 25 ? 14.940 9.710 28.764 1.00 93.00 25 A 1 ATOM 185 C CG . LYS A 1 25 ? 13.878 8.640 28.480 1.00 81.65 25 A 1 ATOM 186 C CD . LYS A 1 25 ? 13.502 7.872 29.749 1.00 77.96 25 A 1 ATOM 187 C CE . LYS A 1 25 ? 12.439 6.821 29.405 1.00 67.14 25 A 1 ATOM 188 N NZ . LYS A 1 25 ? 12.054 6.007 30.585 1.00 59.92 25 A 1 ATOM 189 N N . ASN A 1 26 ? 13.892 12.333 27.200 1.00 94.98 26 A 1 ATOM 190 C CA . ASN A 1 26 ? 12.789 13.112 26.620 1.00 94.23 26 A 1 ATOM 191 C C . ASN A 1 26 ? 12.998 13.451 25.133 1.00 94.56 26 A 1 ATOM 192 O O . ASN A 1 26 ? 12.024 13.538 24.390 1.00 91.96 26 A 1 ATOM 193 C CB . ASN A 1 26 ? 12.573 14.387 27.455 1.00 92.46 26 A 1 ATOM 194 C CG . ASN A 1 26 ? 13.776 15.320 27.465 1.00 86.01 26 A 1 ATOM 195 O OD1 . ASN A 1 26 ? 14.914 14.902 27.421 1.00 75.89 26 A 1 ATOM 196 N ND2 . ASN A 1 26 ? 13.545 16.611 27.546 1.00 76.16 26 A 1 ATOM 197 N N . HIS A 1 27 ? 14.242 13.597 24.691 1.00 94.88 27 A 1 ATOM 198 C CA . HIS A 1 27 ? 14.587 13.803 23.283 1.00 95.16 27 A 1 ATOM 199 C C . HIS A 1 27 ? 14.899 12.483 22.576 1.00 96.31 27 A 1 ATOM 200 O O . HIS A 1 27 ? 14.519 12.290 21.422 1.00 95.00 27 A 1 ATOM 201 C CB . HIS A 1 27 ? 15.776 14.765 23.183 1.00 93.23 27 A 1 ATOM 202 C CG . HIS A 1 27 ? 15.448 16.149 23.656 1.00 91.56 27 A 1 ATOM 203 N ND1 . HIS A 1 27 ? 14.572 17.015 23.035 1.00 79.30 27 A 1 ATOM 204 C CD2 . HIS A 1 27 ? 15.932 16.798 24.760 1.00 78.70 27 A 1 ATOM 205 C CE1 . HIS A 1 27 ? 14.531 18.151 23.747 1.00 81.06 27 A 1 ATOM 206 N NE2 . HIS A 1 27 ? 15.345 18.055 24.803 1.00 82.58 27 A 1 ATOM 207 N N . ARG A 1 28 ? 15.549 11.554 23.278 1.00 96.65 28 A 1 ATOM 208 C CA . ARG A 1 28 ? 16.066 10.304 22.713 1.00 96.79 28 A 1 ATOM 209 C C . ARG A 1 28 ? 14.986 9.446 22.065 1.00 96.77 28 A 1 ATOM 210 O O . ARG A 1 28 ? 15.137 9.068 20.908 1.00 96.23 28 A 1 ATOM 211 C CB . ARG A 1 28 ? 16.787 9.522 23.820 1.00 95.78 28 A 1 ATOM 212 C CG . ARG A 1 28 ? 17.551 8.313 23.281 1.00 92.38 28 A 1 ATOM 213 C CD . ARG A 1 28 ? 18.057 7.412 24.414 1.00 90.99 28 A 1 ATOM 214 N NE . ARG A 1 28 ? 18.781 8.179 25.439 1.00 84.35 28 A 1 ATOM 215 C CZ . ARG A 1 28 ? 18.935 7.848 26.709 1.00 81.12 28 A 1 ATOM 216 N NH1 . ARG A 1 28 ? 18.513 6.704 27.180 1.00 72.17 28 A 1 ATOM 217 N NH2 . ARG A 1 28 ? 19.518 8.676 27.524 1.00 74.24 28 A 1 ATOM 218 N N . GLU A 1 29 ? 13.932 9.120 22.810 1.00 96.37 29 A 1 ATOM 219 C CA . GLU A 1 29 ? 12.935 8.161 22.325 1.00 95.99 29 A 1 ATOM 220 C C . GLU A 1 29 ? 12.142 8.682 21.110 1.00 96.38 29 A 1 ATOM 221 O O . GLU A 1 29 ? 12.069 7.959 20.112 1.00 95.52 29 A 1 ATOM 222 C CB . GLU A 1 29 ? 12.039 7.661 23.469 1.00 94.82 29 A 1 ATOM 223 C CG . GLU A 1 29 ? 12.806 6.835 24.527 1.00 87.27 29 A 1 ATOM 224 C CD . GLU A 1 29 ? 13.613 5.671 23.932 1.00 77.96 29 A 1 ATOM 225 O OE1 . GLU A 1 29 ? 14.797 5.505 24.310 1.00 71.56 29 A 1 ATOM 226 O OE2 . GLU A 1 29 ? 13.086 4.951 23.065 1.00 71.31 29 A 1 ATOM 227 N N . PRO A 1 30 ? 11.645 9.934 21.095 1.00 96.08 30 A 1 ATOM 228 C CA . PRO A 1 30 ? 11.007 10.492 19.893 1.00 96.16 30 A 1 ATOM 229 C C . PRO A 1 30 ? 11.926 10.518 18.665 1.00 96.87 30 A 1 ATOM 230 O O . PRO A 1 30 ? 11.498 10.155 17.569 1.00 96.37 30 A 1 ATOM 231 C CB . PRO A 1 30 ? 10.574 11.907 20.286 1.00 94.86 30 A 1 ATOM 232 C CG . PRO A 1 30 ? 10.401 11.827 21.797 1.00 92.92 30 A 1 ATOM 233 C CD . PRO A 1 30 ? 11.488 10.852 22.221 1.00 95.55 30 A 1 ATOM 234 N N . ILE A 1 31 ? 13.189 10.911 18.844 1.00 97.46 31 A 1 ATOM 235 C CA . ILE A 1 31 ? 14.148 11.015 17.731 1.00 97.91 31 A 1 ATOM 236 C C . ILE A 1 31 ? 14.522 9.627 17.197 1.00 97.94 31 A 1 ATOM 237 O O . ILE A 1 31 ? 14.521 9.414 15.985 1.00 97.82 31 A 1 ATOM 238 C CB . ILE A 1 31 ? 15.386 11.837 18.152 1.00 97.98 31 A 1 ATOM 239 C CG1 . ILE A 1 31 ? 14.983 13.302 18.448 1.00 97.63 31 A 1 ATOM 240 C CG2 . ILE A 1 31 ? 16.464 11.803 17.058 1.00 97.53 31 A 1 ATOM 241 C CD1 . ILE A 1 31 ? 16.093 14.140 19.101 1.00 96.36 31 A 1 ATOM 242 N N . LYS A 1 32 ? 14.786 8.661 18.083 1.00 97.88 32 A 1 ATOM 243 C CA . LYS A 1 32 ? 15.023 7.261 17.695 1.00 97.74 32 A 1 ATOM 244 C C . LYS A 1 32 ? 13.831 6.678 16.931 1.00 97.61 32 A 1 ATOM 245 O O . LYS A 1 32 ? 14.035 5.996 15.932 1.00 97.38 32 A 1 ATOM 246 C CB . LYS A 1 32 ? 15.300 6.402 18.937 1.00 97.47 32 A 1 ATOM 247 C CG . LYS A 1 32 ? 16.721 6.569 19.493 1.00 94.48 32 A 1 ATOM 248 C CD . LYS A 1 32 ? 16.863 5.893 20.871 1.00 91.04 32 A 1 ATOM 249 C CE . LYS A 1 32 ? 16.651 4.378 20.814 1.00 82.83 32 A 1 ATOM 250 N NZ . LYS A 1 32 ? 16.312 3.828 22.149 1.00 75.84 32 A 1 ATOM 251 N N . GLY A 1 33 ? 12.618 6.958 17.384 1.00 96.39 33 A 1 ATOM 252 C CA . GLY A 1 33 ? 11.390 6.519 16.718 1.00 95.78 33 A 1 ATOM 253 C C . GLY A 1 33 ? 11.282 7.060 15.292 1.00 96.30 33 A 1 ATOM 254 O O . GLY A 1 33 ? 11.074 6.287 14.360 1.00 95.98 33 A 1 ATOM 255 N N . LEU A 1 34 ? 11.497 8.358 15.110 1.00 96.56 34 A 1 ATOM 256 C CA . LEU A 1 34 ? 11.500 8.982 13.778 1.00 96.76 34 A 1 ATOM 257 C C . LEU A 1 34 ? 12.588 8.400 12.869 1.00 97.17 34 A 1 ATOM 258 O O . LEU A 1 34 ? 12.314 8.090 11.712 1.00 97.00 34 A 1 ATOM 259 C CB . LEU A 1 34 ? 11.699 10.499 13.912 1.00 96.18 34 A 1 ATOM 260 C CG . LEU A 1 34 ? 10.473 11.276 14.412 1.00 92.55 34 A 1 ATOM 261 C CD1 . LEU A 1 34 ? 10.887 12.716 14.719 1.00 91.37 34 A 1 ATOM 262 C CD2 . LEU A 1 34 ? 9.358 11.308 13.366 1.00 91.26 34 A 1 ATOM 263 N N . PHE A 1 35 ? 13.799 8.229 13.394 1.00 97.42 35 A 1 ATOM 264 C CA . PHE A 1 35 ? 14.921 7.682 12.628 1.00 97.58 35 A 1 ATOM 265 C C . PHE A 1 35 ? 14.629 6.254 12.149 1.00 97.49 35 A 1 ATOM 266 O O . PHE A 1 35 ? 14.774 5.959 10.963 1.00 97.33 35 A 1 ATOM 267 C CB . PHE A 1 35 ? 16.186 7.751 13.488 1.00 97.53 35 A 1 ATOM 268 C CG . PHE A 1 35 ? 17.482 7.487 12.753 1.00 97.62 35 A 1 ATOM 269 C CD1 . PHE A 1 35 ? 17.806 6.207 12.283 1.00 96.69 35 A 1 ATOM 270 C CD2 . PHE A 1 35 ? 18.406 8.533 12.579 1.00 96.43 35 A 1 ATOM 271 C CE1 . PHE A 1 35 ? 19.031 5.971 11.639 1.00 95.98 35 A 1 ATOM 272 C CE2 . PHE A 1 35 ? 19.635 8.302 11.946 1.00 95.68 35 A 1 ATOM 273 C CZ . PHE A 1 35 ? 19.948 7.020 11.474 1.00 96.24 35 A 1 ATOM 274 N N . LYS A 1 36 ? 14.165 5.374 13.043 1.00 97.33 36 A 1 ATOM 275 C CA . LYS A 1 36 ? 13.801 3.993 12.685 1.00 96.92 36 A 1 ATOM 276 C C . LYS A 1 36 ? 12.664 3.951 11.665 1.00 96.80 36 A 1 ATOM 277 O O . LYS A 1 36 ? 12.785 3.272 10.649 1.00 96.42 36 A 1 ATOM 278 C CB . LYS A 1 36 ? 13.394 3.215 13.936 1.00 96.26 36 A 1 ATOM 279 C CG . LYS A 1 36 ? 14.586 2.843 14.824 1.00 88.64 36 A 1 ATOM 280 C CD . LYS A 1 36 ? 14.071 2.063 16.033 1.00 84.01 36 A 1 ATOM 281 C CE . LYS A 1 36 ? 15.223 1.568 16.893 1.00 72.22 36 A 1 ATOM 282 N NZ . LYS A 1 36 ? 14.711 0.704 17.990 1.00 65.63 36 A 1 ATOM 283 N N . SER A 1 37 ? 11.608 4.708 11.904 1.00 96.43 37 A 1 ATOM 284 C CA . SER A 1 37 ? 10.456 4.780 10.998 1.00 96.15 37 A 1 ATOM 285 C C . SER A 1 37 ? 10.871 5.234 9.595 1.00 96.35 37 A 1 ATOM 286 O O . SER A 1 37 ? 10.467 4.629 8.603 1.00 96.02 37 A 1 ATOM 287 C CB . SER A 1 37 ? 9.411 5.731 11.586 1.00 95.49 37 A 1 ATOM 288 O OG . SER A 1 37 ? 8.259 5.799 10.768 1.00 89.39 37 A 1 ATOM 289 N N . ALA A 1 38 ? 11.732 6.242 9.507 1.00 97.15 38 A 1 ATOM 290 C CA . ALA A 1 38 ? 12.247 6.720 8.227 1.00 97.25 38 A 1 ATOM 291 C C . ALA A 1 38 ? 13.052 5.641 7.486 1.00 97.10 38 A 1 ATOM 292 O O . ALA A 1 38 ? 12.841 5.423 6.293 1.00 97.01 38 A 1 ATOM 293 C CB . ALA A 1 38 ? 13.097 7.972 8.481 1.00 97.46 38 A 1 ATOM 294 N N . VAL A 1 39 ? 13.941 4.932 8.189 1.00 97.25 39 A 1 ATOM 295 C CA . VAL A 1 39 ? 14.760 3.857 7.599 1.00 96.75 39 A 1 ATOM 296 C C . VAL A 1 39 ? 13.887 2.715 7.081 1.00 96.27 39 A 1 ATOM 297 O O . VAL A 1 39 ? 14.053 2.275 5.941 1.00 95.58 39 A 1 ATOM 298 C CB . VAL A 1 39 ? 15.794 3.334 8.616 1.00 96.15 39 A 1 ATOM 299 C CG1 . VAL A 1 39 ? 16.519 2.077 8.121 1.00 94.26 39 A 1 ATOM 300 C CG2 . VAL A 1 39 ? 16.860 4.397 8.890 1.00 94.73 39 A 1 ATOM 301 N N . GLU A 1 40 ? 12.941 2.249 7.891 1.00 96.02 40 A 1 ATOM 302 C CA . GLU A 1 40 ? 12.023 1.170 7.514 1.00 95.38 40 A 1 ATOM 303 C C . GLU A 1 40 ? 11.153 1.563 6.313 1.00 95.04 40 A 1 ATOM 304 O O . GLU A 1 40 ? 11.032 0.798 5.355 1.00 94.10 40 A 1 ATOM 305 C CB . GLU A 1 40 ? 11.142 0.814 8.713 1.00 94.50 40 A 1 ATOM 306 C CG . GLU A 1 40 ? 11.902 0.068 9.818 1.00 85.21 40 A 1 ATOM 307 C CD . GLU A 1 40 ? 11.063 -0.144 11.082 1.00 81.14 40 A 1 ATOM 308 O OE1 . GLU A 1 40 ? 11.658 -0.533 12.114 1.00 77.19 40 A 1 ATOM 309 O OE2 . GLU A 1 40 ? 9.833 0.089 11.039 1.00 76.99 40 A 1 ATOM 310 N N . GLN A 1 41 ? 10.612 2.773 6.328 1.00 95.98 41 A 1 ATOM 311 C CA . GLN A 1 41 ? 9.785 3.281 5.231 1.00 96.05 41 A 1 ATOM 312 C C . GLN A 1 41 ? 10.578 3.429 3.927 1.00 95.55 41 A 1 ATOM 313 O O . GLN A 1 41 ? 10.102 3.024 2.864 1.00 94.60 41 A 1 ATOM 314 C CB . GLN A 1 41 ? 9.148 4.603 5.670 1.00 95.69 41 A 1 ATOM 315 C CG . GLN A 1 41 ? 8.233 5.210 4.598 1.00 94.68 41 A 1 ATOM 316 C CD . GLN A 1 41 ? 7.331 6.307 5.150 1.00 95.42 41 A 1 ATOM 317 O OE1 . GLN A 1 41 ? 7.163 6.483 6.346 1.00 91.48 41 A 1 ATOM 318 N NE2 . GLN A 1 41 ? 6.699 7.073 4.292 1.00 90.57 41 A 1 ATOM 319 N N . PHE A 1 42 ? 11.791 3.964 3.997 1.00 96.46 42 A 1 ATOM 320 C CA . PHE A 1 42 ? 12.656 4.100 2.822 1.00 95.82 42 A 1 ATOM 321 C C . PHE A 1 42 ? 13.034 2.739 2.227 1.00 94.58 42 A 1 ATOM 322 O O . PHE A 1 42 ? 13.031 2.572 1.007 1.00 92.76 42 A 1 ATOM 323 C CB . PHE A 1 42 ? 13.906 4.892 3.214 1.00 95.86 42 A 1 ATOM 324 C CG . PHE A 1 42 ? 14.794 5.251 2.046 1.00 95.86 42 A 1 ATOM 325 C CD1 . PHE A 1 42 ? 15.833 4.392 1.653 1.00 94.48 42 A 1 ATOM 326 C CD2 . PHE A 1 42 ? 14.587 6.450 1.347 1.00 94.45 42 A 1 ATOM 327 C CE1 . PHE A 1 42 ? 16.660 4.735 0.572 1.00 93.40 42 A 1 ATOM 328 C CE2 . PHE A 1 42 ? 15.412 6.798 0.270 1.00 93.57 42 A 1 ATOM 329 C CZ . PHE A 1 42 ? 16.448 5.939 -0.118 1.00 93.92 42 A 1 ATOM 330 N N . SER A 1 43 ? 13.318 1.757 3.080 1.00 93.32 43 A 1 ATOM 331 C CA . SER A 1 43 ? 13.629 0.394 2.646 1.00 91.45 43 A 1 ATOM 332 C C . SER A 1 43 ? 12.414 -0.283 2.000 1.00 90.25 43 A 1 ATOM 333 O O . SER A 1 43 ? 12.508 -0.778 0.874 1.00 86.97 43 A 1 ATOM 334 C CB . SER A 1 43 ? 14.142 -0.415 3.839 1.00 89.68 43 A 1 ATOM 335 O OG . SER A 1 43 ? 14.598 -1.678 3.404 1.00 76.97 43 A 1 ATOM 336 N N . SER A 1 44 ? 11.256 -0.246 2.656 1.00 89.56 44 A 1 ATOM 337 C CA . SER A 1 44 ? 10.033 -0.879 2.147 1.00 88.42 44 A 1 ATOM 338 C C . SER A 1 44 ? 9.494 -0.217 0.877 1.00 89.15 44 A 1 ATOM 339 O O . SER A 1 44 ? 8.889 -0.893 0.047 1.00 87.46 44 A 1 ATOM 340 C CB . SER A 1 44 ? 8.953 -0.918 3.234 1.00 85.48 44 A 1 ATOM 341 O OG . SER A 1 44 ? 8.483 0.373 3.557 1.00 77.83 44 A 1 ATOM 342 N N . ALA A 1 45 ? 9.770 1.061 0.662 1.00 93.06 45 A 1 ATOM 343 C CA . ALA A 1 45 ? 9.383 1.760 -0.563 1.00 93.83 45 A 1 ATOM 344 C C . ALA A 1 45 ? 9.954 1.109 -1.836 1.00 93.55 45 A 1 ATOM 345 O O . ALA A 1 45 ? 9.340 1.186 -2.901 1.00 92.08 45 A 1 ATOM 346 C CB . ALA A 1 45 ? 9.838 3.220 -0.457 1.00 94.24 45 A 1 ATOM 347 N N . ARG A 1 46 ? 11.100 0.429 -1.747 1.00 92.12 46 A 1 ATOM 348 C CA . ARG A 1 46 ? 11.690 -0.310 -2.878 1.00 91.01 46 A 1 ATOM 349 C C . ARG A 1 46 ? 10.937 -1.608 -3.182 1.00 91.40 46 A 1 ATOM 350 O O . ARG A 1 46 ? 10.966 -2.068 -4.322 1.00 88.51 46 A 1 ATOM 351 C CB . ARG A 1 46 ? 13.168 -0.596 -2.598 1.00 88.27 46 A 1 ATOM 352 C CG . ARG A 1 46 ? 13.991 0.695 -2.519 1.00 75.50 46 A 1 ATOM 353 C CD . ARG A 1 46 ? 15.441 0.387 -2.163 1.00 70.08 46 A 1 ATOM 354 N NE . ARG A 1 46 ? 16.257 1.616 -2.147 1.00 60.91 46 A 1 ATOM 355 C CZ . ARG A 1 46 ? 17.306 1.856 -1.384 1.00 53.96 46 A 1 ATOM 356 N NH1 . ARG A 1 46 ? 17.740 0.985 -0.519 1.00 48.65 46 A 1 ATOM 357 N NH2 . ARG A 1 46 ? 17.931 2.990 -1.475 1.00 46.70 46 A 1 ATOM 358 N N . ASP A 1 47 ? 10.257 -2.173 -2.197 1.00 89.11 47 A 1 ATOM 359 C CA . ASP A 1 47 ? 9.537 -3.438 -2.355 1.00 88.49 47 A 1 ATOM 360 C C . ASP A 1 47 ? 8.262 -3.300 -3.199 1.00 90.28 47 A 1 ATOM 361 O O . ASP A 1 47 ? 7.793 -4.297 -3.747 1.00 89.14 47 A 1 ATOM 362 C CB . ASP A 1 47 ? 9.270 -4.068 -0.982 1.00 85.19 47 A 1 ATOM 363 C CG . ASP A 1 47 ? 10.561 -4.453 -0.248 1.00 81.19 47 A 1 ATOM 364 O OD1 . ASP A 1 47 ? 11.560 -4.808 -0.929 1.00 77.25 47 A 1 ATOM 365 O OD2 . ASP A 1 47 ? 10.553 -4.425 0.997 1.00 77.17 47 A 1 ATOM 366 N N . PHE A 1 48 ? 7.758 -2.082 -3.410 1.00 91.62 48 A 1 ATOM 367 C CA . PHE A 1 48 ? 6.667 -1.846 -4.360 1.00 93.08 48 A 1 ATOM 368 C C . PHE A 1 48 ? 7.013 -2.317 -5.780 1.00 93.81 48 A 1 ATOM 369 O O . PHE A 1 48 ? 6.138 -2.813 -6.479 1.00 93.50 48 A 1 ATOM 370 C CB . PHE A 1 48 ? 6.287 -0.363 -4.383 1.00 93.34 48 A 1 ATOM 371 C CG . PHE A 1 48 ? 5.656 0.154 -3.110 1.00 93.89 48 A 1 ATOM 372 C CD1 . PHE A 1 48 ? 4.520 -0.472 -2.572 1.00 93.06 48 A 1 ATOM 373 C CD2 . PHE A 1 48 ? 6.177 1.291 -2.474 1.00 93.18 48 A 1 ATOM 374 C CE1 . PHE A 1 48 ? 3.920 0.018 -1.405 1.00 92.43 48 A 1 ATOM 375 C CE2 . PHE A 1 48 ? 5.581 1.787 -1.304 1.00 92.50 48 A 1 ATOM 376 C CZ . PHE A 1 48 ? 4.453 1.147 -0.768 1.00 92.81 48 A 1 ATOM 377 N N . PHE A 1 49 ? 8.272 -2.229 -6.197 1.00 94.38 49 A 1 ATOM 378 C CA . PHE A 1 49 ? 8.716 -2.714 -7.512 1.00 94.92 49 A 1 ATOM 379 C C . PHE A 1 49 ? 8.853 -4.238 -7.586 1.00 94.75 49 A 1 ATOM 380 O O . PHE A 1 49 ? 8.913 -4.789 -8.683 1.00 93.54 49 A 1 ATOM 381 C CB . PHE A 1 49 ? 10.050 -2.066 -7.880 1.00 95.33 49 A 1 ATOM 382 C CG . PHE A 1 49 ? 9.988 -0.565 -8.027 1.00 95.75 49 A 1 ATOM 383 C CD1 . PHE A 1 49 ? 9.197 0.014 -9.034 1.00 94.81 49 A 1 ATOM 384 C CD2 . PHE A 1 49 ? 10.732 0.259 -7.173 1.00 95.00 49 A 1 ATOM 385 C CE1 . PHE A 1 49 ? 9.155 1.403 -9.193 1.00 94.36 49 A 1 ATOM 386 C CE2 . PHE A 1 49 ? 10.698 1.652 -7.328 1.00 94.36 49 A 1 ATOM 387 C CZ . PHE A 1 49 ? 9.912 2.225 -8.341 1.00 94.85 49 A 1 ATOM 388 N N . LYS A 1 50 ? 8.912 -4.925 -6.454 1.00 93.32 50 A 1 ATOM 389 C CA . LYS A 1 50 ? 8.957 -6.393 -6.385 1.00 92.32 50 A 1 ATOM 390 C C . LYS A 1 50 ? 7.556 -7.002 -6.332 1.00 91.64 50 A 1 ATOM 391 O O . LYS A 1 50 ? 7.403 -8.186 -6.612 1.00 88.98 50 A 1 ATOM 392 C CB . LYS A 1 50 ? 9.752 -6.838 -5.155 1.00 91.09 50 A 1 ATOM 393 C CG . LYS A 1 50 ? 11.196 -6.319 -5.117 1.00 86.64 50 A 1 ATOM 394 C CD . LYS A 1 50 ? 11.849 -6.776 -3.813 1.00 81.58 50 A 1 ATOM 395 C CE . LYS A 1 50 ? 13.198 -6.099 -3.579 1.00 74.23 50 A 1 ATOM 396 N NZ . LYS A 1 50 ? 13.567 -6.180 -2.145 1.00 66.69 50 A 1 ATOM 397 N N . ASN A 1 51 ? 6.560 -6.214 -5.963 1.00 90.03 51 A 1 ATOM 398 C CA . ASN A 1 51 ? 5.182 -6.677 -5.900 1.00 89.62 51 A 1 ATOM 399 C C . ASN A 1 51 ? 4.564 -6.681 -7.307 1.00 89.62 51 A 1 ATOM 400 O O . ASN A 1 51 ? 4.087 -5.662 -7.798 1.00 87.64 51 A 1 ATOM 401 C CB . ASN A 1 51 ? 4.401 -5.825 -4.892 1.00 88.20 51 A 1 ATOM 402 C CG . ASN A 1 51 ? 3.020 -6.393 -4.624 1.00 87.13 51 A 1 ATOM 403 O OD1 . ASN A 1 51 ? 2.488 -7.206 -5.357 1.00 79.94 51 A 1 ATOM 404 N ND2 . ASN A 1 51 ? 2.405 -5.983 -3.542 1.00 79.09 51 A 1 ATOM 405 N N . GLU A 1 52 ? 4.539 -7.852 -7.933 1.00 88.83 52 A 1 ATOM 406 C CA . GLU A 1 52 ? 4.002 -8.058 -9.282 1.00 87.91 52 A 1 ATOM 407 C C . GLU A 1 52 ? 2.490 -7.795 -9.382 1.00 88.96 52 A 1 ATOM 408 O O . GLU A 1 52 ? 1.948 -7.702 -10.485 1.00 85.29 52 A 1 ATOM 409 C CB . GLU A 1 52 ? 4.294 -9.494 -9.739 1.00 84.43 52 A 1 ATOM 410 C CG . GLU A 1 52 ? 5.798 -9.805 -9.819 1.00 74.40 52 A 1 ATOM 411 C CD . GLU A 1 52 ? 6.092 -11.205 -10.369 1.00 66.23 52 A 1 ATOM 412 O OE1 . GLU A 1 52 ? 7.268 -11.455 -10.708 1.00 60.56 52 A 1 ATOM 413 O OE2 . GLU A 1 52 ? 5.155 -12.031 -10.466 1.00 61.23 52 A 1 ATOM 414 N N . ASN A 1 53 ? 1.813 -7.640 -8.256 1.00 90.73 53 A 1 ATOM 415 C CA . ASN A 1 53 ? 0.400 -7.291 -8.251 1.00 91.65 53 A 1 ATOM 416 C C . ASN A 1 53 ? 0.155 -5.827 -8.637 1.00 92.91 53 A 1 ATOM 417 O O . ASN A 1 53 ? -0.913 -5.518 -9.159 1.00 91.85 53 A 1 ATOM 418 C CB . ASN A 1 53 ? -0.211 -7.620 -6.885 1.00 90.75 53 A 1 ATOM 419 C CG . ASN A 1 53 ? -0.202 -9.107 -6.595 1.00 89.45 53 A 1 ATOM 420 O OD1 . ASN A 1 53 ? -0.510 -9.923 -7.447 1.00 82.73 53 A 1 ATOM 421 N ND2 . ASN A 1 53 ? 0.142 -9.493 -5.388 1.00 81.67 53 A 1 ATOM 422 N N . TYR A 1 54 ? 1.113 -4.926 -8.412 1.00 93.46 54 A 1 ATOM 423 C CA . TYR A 1 54 ? 0.954 -3.522 -8.787 1.00 94.30 54 A 1 ATOM 424 C C . TYR A 1 54 ? 1.337 -3.294 -10.248 1.00 94.54 54 A 1 ATOM 425 O O . TYR A 1 54 ? 2.312 -3.851 -10.744 1.00 93.61 54 A 1 ATOM 426 C CB . TYR A 1 54 ? 1.759 -2.616 -7.850 1.00 93.96 54 A 1 ATOM 427 C CG . TYR A 1 54 ? 1.392 -2.736 -6.380 1.00 94.26 54 A 1 ATOM 428 C CD1 . TYR A 1 54 ? 0.049 -2.849 -5.978 1.00 92.15 54 A 1 ATOM 429 C CD2 . TYR A 1 54 ? 2.399 -2.744 -5.401 1.00 92.06 54 A 1 ATOM 430 C CE1 . TYR A 1 54 ? -0.285 -2.992 -4.620 1.00 90.91 54 A 1 ATOM 431 C CE2 . TYR A 1 54 ? 2.075 -2.881 -4.042 1.00 91.25 54 A 1 ATOM 432 C CZ . TYR A 1 54 ? 0.731 -3.013 -3.660 1.00 92.15 54 A 1 ATOM 433 O OH . TYR A 1 54 ? 0.415 -3.176 -2.337 1.00 89.67 54 A 1 ATOM 434 N N . SER A 1 55 ? 0.591 -2.427 -10.935 1.00 94.28 55 A 1 ATOM 435 C CA . SER A 1 55 ? 1.050 -1.894 -12.213 1.00 94.42 55 A 1 ATOM 436 C C . SER A 1 55 ? 2.344 -1.100 -12.016 1.00 95.16 55 A 1 ATOM 437 O O . SER A 1 55 ? 2.635 -0.595 -10.926 1.00 95.19 55 A 1 ATOM 438 C CB . SER A 1 55 ? -0.022 -1.018 -12.866 1.00 93.62 55 A 1 ATOM 439 O OG . SER A 1 55 ? -0.259 0.148 -12.109 1.00 90.19 55 A 1 ATOM 440 N N . LYS A 1 56 ? 3.118 -0.965 -13.090 1.00 95.91 56 A 1 ATOM 441 C CA . LYS A 1 56 ? 4.350 -0.167 -13.060 1.00 96.13 56 A 1 ATOM 442 C C . LYS A 1 56 ? 4.087 1.263 -12.578 1.00 96.74 56 A 1 ATOM 443 O O . LYS A 1 56 ? 4.818 1.766 -11.729 1.00 96.64 56 A 1 ATOM 444 C CB . LYS A 1 56 ? 4.987 -0.187 -14.455 1.00 95.46 56 A 1 ATOM 445 C CG . LYS A 1 56 ? 6.317 0.570 -14.469 1.00 83.68 56 A 1 ATOM 446 C CD . LYS A 1 56 ? 6.946 0.572 -15.861 1.00 75.79 56 A 1 ATOM 447 C CE . LYS A 1 56 ? 8.193 1.456 -15.813 1.00 64.00 56 A 1 ATOM 448 N NZ . LYS A 1 56 ? 8.800 1.643 -17.149 1.00 56.22 56 A 1 ATOM 449 N N . GLU A 1 57 ? 3.030 1.888 -13.078 1.00 95.93 57 A 1 ATOM 450 C CA . GLU A 1 57 ? 2.652 3.254 -12.702 1.00 95.87 57 A 1 ATOM 451 C C . GLU A 1 57 ? 2.311 3.361 -11.210 1.00 96.48 57 A 1 ATOM 452 O O . GLU A 1 57 ? 2.786 4.269 -10.527 1.00 96.14 57 A 1 ATOM 453 C CB . GLU A 1 57 ? 1.464 3.682 -13.574 1.00 95.39 57 A 1 ATOM 454 C CG . GLU A 1 57 ? 1.036 5.132 -13.310 1.00 81.23 57 A 1 ATOM 455 C CD . GLU A 1 57 ? -0.105 5.600 -14.223 1.00 71.03 57 A 1 ATOM 456 O OE1 . GLU A 1 57 ? -0.457 6.793 -14.120 1.00 65.98 57 A 1 ATOM 457 O OE2 . GLU A 1 57 ? -0.609 4.791 -15.026 1.00 65.62 57 A 1 ATOM 458 N N . LEU A 1 58 ? 1.548 2.411 -10.676 1.00 95.83 58 A 1 ATOM 459 C CA . LEU A 1 58 ? 1.174 2.400 -9.264 1.00 95.99 58 A 1 ATOM 460 C C . LEU A 1 58 ? 2.398 2.175 -8.365 1.00 96.37 58 A 1 ATOM 461 O O . LEU A 1 58 ? 2.575 2.890 -7.382 1.00 96.45 58 A 1 ATOM 462 C CB . LEU A 1 58 ? 0.097 1.328 -9.038 1.00 95.53 58 A 1 ATOM 463 C CG . LEU A 1 58 ? -0.554 1.399 -7.645 1.00 92.89 58 A 1 ATOM 464 C CD1 . LEU A 1 58 ? -1.353 2.687 -7.455 1.00 91.46 58 A 1 ATOM 465 C CD2 . LEU A 1 58 ? -1.498 0.217 -7.455 1.00 91.17 58 A 1 ATOM 466 N N . ALA A 1 59 ? 3.272 1.228 -8.716 1.00 96.55 59 A 1 ATOM 467 C CA . ALA A 1 59 ? 4.506 0.964 -7.976 1.00 96.32 59 A 1 ATOM 468 C C . ALA A 1 59 ? 5.437 2.190 -7.954 1.00 96.50 59 A 1 ATOM 469 O O . ALA A 1 59 ? 5.973 2.538 -6.903 1.00 96.54 59 A 1 ATOM 470 C CB . ALA A 1 59 ? 5.200 -0.253 -8.598 1.00 95.71 59 A 1 ATOM 471 N N . GLU A 1 60 ? 5.597 2.878 -9.083 1.00 97.55 60 A 1 ATOM 472 C CA . GLU A 1 60 ? 6.391 4.111 -9.174 1.00 97.51 60 A 1 ATOM 473 C C . GLU A 1 60 ? 5.804 5.230 -8.307 1.00 97.46 60 A 1 ATOM 474 O O . GLU A 1 60 ? 6.546 5.929 -7.614 1.00 97.27 60 A 1 ATOM 475 C CB . GLU A 1 60 ? 6.473 4.584 -10.634 1.00 97.33 60 A 1 ATOM 476 C CG . GLU A 1 60 ? 7.454 3.755 -11.475 1.00 87.38 60 A 1 ATOM 477 C CD . GLU A 1 60 ? 7.533 4.198 -12.945 1.00 79.82 60 A 1 ATOM 478 O OE1 . GLU A 1 60 ? 8.257 3.528 -13.721 1.00 76.07 60 A 1 ATOM 479 O OE2 . GLU A 1 60 ? 6.905 5.208 -13.321 1.00 75.80 60 A 1 ATOM 480 N N . LYS A 1 61 ? 4.488 5.380 -8.310 1.00 96.74 61 A 1 ATOM 481 C CA . LYS A 1 61 ? 3.802 6.380 -7.491 1.00 96.36 61 A 1 ATOM 482 C C . LYS A 1 61 ? 3.980 6.110 -5.996 1.00 96.63 61 A 1 ATOM 483 O O . LYS A 1 61 ? 4.410 6.994 -5.259 1.00 96.23 61 A 1 ATOM 484 C CB . LYS A 1 61 ? 2.329 6.410 -7.902 1.00 95.65 61 A 1 ATOM 485 C CG . LYS A 1 61 ? 1.572 7.561 -7.232 1.00 87.51 61 A 1 ATOM 486 C CD . LYS A 1 61 ? 0.129 7.558 -7.727 1.00 84.57 61 A 1 ATOM 487 C CE . LYS A 1 61 ? -0.617 8.761 -7.169 1.00 73.39 61 A 1 ATOM 488 N NZ . LYS A 1 61 ? -2.025 8.738 -7.612 1.00 67.53 61 A 1 ATOM 489 N N . PHE A 1 62 ? 3.719 4.883 -5.561 1.00 96.28 62 A 1 ATOM 490 C CA . PHE A 1 62 ? 3.890 4.475 -4.169 1.00 96.32 62 A 1 ATOM 491 C C . PHE A 1 62 ? 5.338 4.628 -3.701 1.00 96.44 62 A 1 ATOM 492 O O . PHE A 1 62 ? 5.579 5.166 -2.624 1.00 96.30 62 A 1 ATOM 493 C CB . PHE A 1 62 ? 3.428 3.028 -4.003 1.00 96.03 62 A 1 ATOM 494 C CG . PHE A 1 62 ? 1.933 2.776 -4.069 1.00 96.01 62 A 1 ATOM 495 C CD1 . PHE A 1 62 ? 0.994 3.806 -4.219 1.00 94.17 62 A 1 ATOM 496 C CD2 . PHE A 1 62 ? 1.474 1.454 -3.929 1.00 93.77 62 A 1 ATOM 497 C CE1 . PHE A 1 62 ? -0.380 3.530 -4.221 1.00 92.85 62 A 1 ATOM 498 C CE2 . PHE A 1 62 ? 0.103 1.171 -3.932 1.00 92.64 62 A 1 ATOM 499 C CZ . PHE A 1 62 ? -0.825 2.210 -4.073 1.00 93.49 62 A 1 ATOM 500 N N . ASN A 1 63 ? 6.298 4.215 -4.521 1.00 97.35 63 A 1 ATOM 501 C CA . ASN A 1 63 ? 7.714 4.390 -4.212 1.00 97.23 63 A 1 ATOM 502 C C . ASN A 1 63 ? 8.056 5.863 -3.979 1.00 97.16 63 A 1 ATOM 503 O O . ASN A 1 63 ? 8.616 6.199 -2.937 1.00 97.05 63 A 1 ATOM 504 C CB . ASN A 1 63 ? 8.558 3.799 -5.345 1.00 96.94 63 A 1 ATOM 505 C CG . ASN A 1 63 ? 10.032 4.102 -5.154 1.00 95.84 63 A 1 ATOM 506 O OD1 . ASN A 1 63 ? 10.565 5.052 -5.703 1.00 88.41 63 A 1 ATOM 507 N ND2 . ASN A 1 63 ? 10.720 3.327 -4.351 1.00 87.86 63 A 1 ATOM 508 N N . LYS A 1 64 ? 7.710 6.747 -4.909 1.00 97.53 64 A 1 ATOM 509 C CA . LYS A 1 64 ? 8.023 8.179 -4.804 1.00 97.45 64 A 1 ATOM 510 C C . LYS A 1 64 ? 7.420 8.804 -3.548 1.00 97.53 64 A 1 ATOM 511 O O . LYS A 1 64 ? 8.118 9.512 -2.827 1.00 97.30 64 A 1 ATOM 512 C CB . LYS A 1 64 ? 7.526 8.913 -6.056 1.00 96.93 64 A 1 ATOM 513 C CG . LYS A 1 64 ? 8.407 8.631 -7.283 1.00 87.43 64 A 1 ATOM 514 C CD . LYS A 1 64 ? 7.784 9.238 -8.538 1.00 82.99 64 A 1 ATOM 515 C CE . LYS A 1 64 ? 8.631 8.891 -9.765 1.00 70.20 64 A 1 ATOM 516 N NZ . LYS A 1 64 ? 7.990 9.344 -11.025 1.00 61.72 64 A 1 ATOM 517 N N . GLU A 1 65 ? 6.160 8.526 -3.262 1.00 97.26 65 A 1 ATOM 518 C CA . GLU A 1 65 ? 5.470 9.102 -2.107 1.00 97.02 65 A 1 ATOM 519 C C . GLU A 1 65 ? 6.012 8.564 -0.776 1.00 97.23 65 A 1 ATOM 520 O O . GLU A 1 65 ? 6.262 9.340 0.145 1.00 96.80 65 A 1 ATOM 521 C CB . GLU A 1 65 ? 3.965 8.875 -2.251 1.00 96.42 65 A 1 ATOM 522 C CG . GLU A 1 65 ? 3.394 9.693 -3.417 1.00 89.57 65 A 1 ATOM 523 C CD . GLU A 1 65 ? 1.883 9.567 -3.597 1.00 80.73 65 A 1 ATOM 524 O OE1 . GLU A 1 65 ? 1.387 9.894 -4.693 1.00 75.48 65 A 1 ATOM 525 O OE2 . GLU A 1 65 ? 1.164 9.245 -2.635 1.00 73.74 65 A 1 ATOM 526 N N . ALA A 1 66 ? 6.279 7.261 -0.686 1.00 96.82 66 A 1 ATOM 527 C CA . ALA A 1 66 ? 6.873 6.668 0.510 1.00 96.60 66 A 1 ATOM 528 C C . ALA A 1 66 ? 8.312 7.155 0.747 1.00 96.98 66 A 1 ATOM 529 O O . ALA A 1 66 ? 8.686 7.436 1.884 1.00 96.89 66 A 1 ATOM 530 C CB . ALA A 1 66 ? 6.808 5.143 0.391 1.00 95.82 66 A 1 ATOM 531 N N . VAL A 1 67 ? 9.115 7.302 -0.306 1.00 97.46 67 A 1 ATOM 532 C CA . VAL A 1 67 ? 10.474 7.857 -0.214 1.00 97.68 67 A 1 ATOM 533 C C . VAL A 1 67 ? 10.441 9.308 0.255 1.00 97.82 67 A 1 ATOM 534 O O . VAL A 1 67 ? 11.204 9.667 1.147 1.00 97.89 67 A 1 ATOM 535 C CB . VAL A 1 67 ? 11.226 7.722 -1.555 1.00 97.33 67 A 1 ATOM 536 C CG1 . VAL A 1 67 ? 12.503 8.574 -1.614 1.00 95.81 67 A 1 ATOM 537 C CG2 . VAL A 1 67 ? 11.637 6.265 -1.785 1.00 96.05 67 A 1 ATOM 538 N N . ASN A 1 68 ? 9.556 10.134 -0.290 1.00 97.64 68 A 1 ATOM 539 C CA . ASN A 1 68 ? 9.445 11.538 0.112 1.00 97.58 68 A 1 ATOM 540 C C . ASN A 1 68 ? 9.114 11.673 1.602 1.00 97.69 68 A 1 ATOM 541 O O . ASN A 1 68 ? 9.793 12.406 2.317 1.00 97.47 68 A 1 ATOM 542 C CB . ASN A 1 68 ? 8.397 12.239 -0.762 1.00 97.17 68 A 1 ATOM 543 C CG . ASN A 1 68 ? 8.860 12.489 -2.189 1.00 90.78 68 A 1 ATOM 544 O OD1 . ASN A 1 68 ? 10.021 12.389 -2.540 1.00 83.91 68 A 1 ATOM 545 N ND2 . ASN A 1 68 ? 7.940 12.857 -3.056 1.00 83.31 68 A 1 ATOM 546 N N . GLU A 1 69 ? 8.138 10.922 2.097 1.00 96.97 69 A 1 ATOM 547 C CA . GLU A 1 69 ? 7.782 10.952 3.520 1.00 96.66 69 A 1 ATOM 548 C C . GLU A 1 69 ? 8.917 10.406 4.413 1.00 96.91 69 A 1 ATOM 549 O O . GLU A 1 69 ? 9.176 10.941 5.490 1.00 96.73 69 A 1 ATOM 550 C CB . GLU A 1 69 ? 6.471 10.185 3.740 1.00 95.79 69 A 1 ATOM 551 C CG . GLU A 1 69 ? 5.954 10.373 5.171 1.00 92.19 69 A 1 ATOM 552 C CD . GLU A 1 69 ? 4.600 9.710 5.409 1.00 91.38 69 A 1 ATOM 553 O OE1 . GLU A 1 69 ? 4.574 8.612 5.992 1.00 86.53 69 A 1 ATOM 554 O OE2 . GLU A 1 69 ? 3.574 10.312 5.049 1.00 86.27 69 A 1 ATOM 555 N N . ALA A 1 70 ? 9.644 9.379 3.972 1.00 97.45 70 A 1 ATOM 556 C CA . ALA A 1 70 ? 10.803 8.862 4.702 1.00 97.48 70 A 1 ATOM 557 C C . ALA A 1 70 ? 11.929 9.903 4.810 1.00 97.77 70 A 1 ATOM 558 O O . ALA A 1 70 ? 12.527 10.065 5.874 1.00 97.89 70 A 1 ATOM 559 C CB . ALA A 1 70 ? 11.298 7.587 4.012 1.00 97.22 70 A 1 ATOM 560 N N . VAL A 1 71 ? 12.197 10.640 3.729 1.00 98.01 71 A 1 ATOM 561 C CA . VAL A 1 71 ? 13.176 11.737 3.719 1.00 98.18 71 A 1 ATOM 562 C C . VAL A 1 71 ? 12.774 12.834 4.705 1.00 98.22 71 A 1 ATOM 563 O O . VAL A 1 71 ? 13.608 13.265 5.500 1.00 98.23 71 A 1 ATOM 564 C CB . VAL A 1 71 ? 13.350 12.293 2.289 1.00 98.00 71 A 1 ATOM 565 C CG1 . VAL A 1 71 ? 14.108 13.625 2.256 1.00 97.04 71 A 1 ATOM 566 C CG2 . VAL A 1 71 ? 14.136 11.298 1.422 1.00 97.20 71 A 1 ATOM 567 N N . GLU A 1 72 ? 11.512 13.242 4.726 1.00 98.01 72 A 1 ATOM 568 C CA . GLU A 1 72 ? 10.997 14.238 5.675 1.00 97.77 72 A 1 ATOM 569 C C . GLU A 1 72 ? 11.132 13.773 7.134 1.00 97.87 72 A 1 ATOM 570 O O . GLU A 1 72 ? 11.556 14.543 7.999 1.00 97.68 72 A 1 ATOM 571 C CB . GLU A 1 72 ? 9.527 14.531 5.366 1.00 97.23 72 A 1 ATOM 572 C CG . GLU A 1 72 ? 9.338 15.330 4.071 1.00 90.59 72 A 1 ATOM 573 C CD . GLU A 1 72 ? 7.862 15.543 3.703 1.00 83.84 72 A 1 ATOM 574 O OE1 . GLU A 1 72 ? 7.623 16.156 2.642 1.00 80.43 72 A 1 ATOM 575 O OE2 . GLU A 1 72 ? 6.978 15.111 4.479 1.00 80.25 72 A 1 ATOM 576 N N . LYS A 1 73 ? 10.836 12.506 7.417 1.00 97.44 73 A 1 ATOM 577 C CA . LYS A 1 73 ? 11.001 11.929 8.759 1.00 97.15 73 A 1 ATOM 578 C C . LYS A 1 73 ? 12.460 11.903 9.204 1.00 97.56 73 A 1 ATOM 579 O O . LYS A 1 73 ? 12.753 12.288 10.335 1.00 97.39 73 A 1 ATOM 580 C CB . LYS A 1 73 ? 10.428 10.510 8.795 1.00 95.73 73 A 1 ATOM 581 C CG . LYS A 1 73 ? 8.901 10.511 8.843 1.00 88.31 73 A 1 ATOM 582 C CD . LYS A 1 73 ? 8.394 9.073 8.777 1.00 89.29 73 A 1 ATOM 583 C CE . LYS A 1 73 ? 6.874 9.077 8.870 1.00 84.72 73 A 1 ATOM 584 N NZ . LYS A 1 73 ? 6.343 7.711 8.722 1.00 81.86 73 A 1 ATOM 585 N N . LEU A 1 74 ? 13.372 11.462 8.338 1.00 97.85 74 A 1 ATOM 586 C CA . LEU A 1 74 ? 14.797 11.454 8.672 1.00 98.05 74 A 1 ATOM 587 C C . LEU A 1 74 ? 15.313 12.881 8.867 1.00 98.17 74 A 1 ATOM 588 O O . LEU A 1 74 ? 16.014 13.133 9.843 1.00 98.27 74 A 1 ATOM 589 C CB . LEU A 1 74 ? 15.605 10.695 7.610 1.00 97.99 74 A 1 ATOM 590 C CG . LEU A 1 74 ? 17.096 10.532 7.994 1.00 97.53 74 A 1 ATOM 591 C CD1 . LEU A 1 74 ? 17.289 9.683 9.251 1.00 96.65 74 A 1 ATOM 592 C CD2 . LEU A 1 74 ? 17.866 9.874 6.855 1.00 96.39 74 A 1 ATOM 593 N N . GLN A 1 75 ? 14.919 13.821 8.010 1.00 98.29 75 A 1 ATOM 594 C CA . GLN A 1 75 ? 15.279 15.236 8.157 1.00 98.31 75 A 1 ATOM 595 C C . GLN A 1 75 ? 14.858 15.769 9.527 1.00 98.29 75 A 1 ATOM 596 O O . GLN A 1 75 ? 15.675 16.349 10.238 1.00 98.22 75 A 1 ATOM 597 C CB . GLN A 1 75 ? 14.631 16.056 7.030 1.00 98.16 75 A 1 ATOM 598 C CG . GLN A 1 75 ? 15.077 17.525 7.034 1.00 96.94 75 A 1 ATOM 599 C CD . GLN A 1 75 ? 16.550 17.667 6.646 1.00 97.78 75 A 1 ATOM 600 O OE1 . GLN A 1 75 ? 16.907 17.472 5.497 1.00 92.68 75 A 1 ATOM 601 N NE2 . GLN A 1 75 ? 17.427 17.979 7.572 1.00 91.20 75 A 1 ATOM 602 N N . LYS A 1 76 ? 13.616 15.508 9.931 1.00 98.26 76 A 1 ATOM 603 C CA . LYS A 1 76 ? 13.112 15.925 11.242 1.00 98.18 76 A 1 ATOM 604 C C . LYS A 1 76 ? 13.911 15.310 12.394 1.00 98.18 76 A 1 ATOM 605 O O . LYS A 1 76 ? 14.233 16.014 13.351 1.00 97.94 76 A 1 ATOM 606 C CB . LYS A 1 76 ? 11.622 15.577 11.325 1.00 97.93 76 A 1 ATOM 607 C CG . LYS A 1 76 ? 10.969 16.101 12.610 1.00 90.14 76 A 1 ATOM 608 C CD . LYS A 1 76 ? 9.477 15.782 12.611 1.00 86.40 76 A 1 ATOM 609 C CE . LYS A 1 76 ? 8.823 16.309 13.886 1.00 74.22 76 A 1 ATOM 610 N NZ . LYS A 1 76 ? 7.366 16.017 13.902 1.00 67.88 76 A 1 ATOM 611 N N . ALA A 1 77 ? 14.247 14.026 12.319 1.00 98.19 77 A 1 ATOM 612 C CA . ALA A 1 77 ? 15.054 13.353 13.343 1.00 98.11 77 A 1 ATOM 613 C C . ALA A 1 77 ? 16.465 13.959 13.447 1.00 98.14 77 A 1 ATOM 614 O O . ALA A 1 77 ? 16.929 14.249 14.551 1.00 98.04 77 A 1 ATOM 615 C CB . ALA A 1 77 ? 15.116 11.855 13.031 1.00 97.99 77 A 1 ATOM 616 N N . ILE A 1 78 ? 17.117 14.189 12.309 1.00 98.17 78 A 1 ATOM 617 C CA . ILE A 1 78 ? 18.451 14.799 12.239 1.00 98.03 78 A 1 ATOM 618 C C . ILE A 1 78 ? 18.421 16.228 12.789 1.00 98.08 78 A 1 ATOM 619 O O . ILE A 1 78 ? 19.199 16.540 13.686 1.00 97.95 78 A 1 ATOM 620 C CB . ILE A 1 78 ? 19.000 14.728 10.796 1.00 97.54 78 A 1 ATOM 621 C CG1 . ILE A 1 78 ? 19.256 13.272 10.339 1.00 95.25 78 A 1 ATOM 622 C CG2 . ILE A 1 78 ? 20.276 15.567 10.623 1.00 95.63 78 A 1 ATOM 623 C CD1 . ILE A 1 78 ? 20.280 12.473 11.144 1.00 87.37 78 A 1 ATOM 624 N N . ASP A 1 79 ? 17.486 17.059 12.341 1.00 98.18 79 A 1 ATOM 625 C CA . ASP A 1 79 ? 17.369 18.453 12.790 1.00 98.21 79 A 1 ATOM 626 C C . ASP A 1 79 ? 17.150 18.553 14.311 1.00 98.17 79 A 1 ATOM 627 O O . ASP A 1 79 ? 17.744 19.400 14.982 1.00 97.96 79 A 1 ATOM 628 C CB . ASP A 1 79 ? 16.190 19.135 12.078 1.00 98.16 79 A 1 ATOM 629 C CG . ASP A 1 79 ? 16.350 19.353 10.571 1.00 96.88 79 A 1 ATOM 630 O OD1 . ASP A 1 79 ? 17.449 19.150 10.028 1.00 93.35 79 A 1 ATOM 631 O OD2 . ASP A 1 79 ? 15.332 19.744 9.953 1.00 93.61 79 A 1 ATOM 632 N N . LEU A 1 80 ? 16.312 17.676 14.876 1.00 97.90 80 A 1 ATOM 633 C CA . LEU A 1 80 ? 16.067 17.637 16.322 1.00 97.69 80 A 1 ATOM 634 C C . LEU A 1 80 ? 17.319 17.224 17.102 1.00 97.58 80 A 1 ATOM 635 O O . LEU A 1 80 ? 17.605 17.807 18.147 1.00 97.31 80 A 1 ATOM 636 C CB . LEU A 1 80 ? 14.909 16.676 16.627 1.00 97.65 80 A 1 ATOM 637 C CG . LEU A 1 80 ? 13.511 17.192 16.248 1.00 96.61 80 A 1 ATOM 638 C CD1 . LEU A 1 80 ? 12.500 16.056 16.404 1.00 95.42 80 A 1 ATOM 639 C CD2 . LEU A 1 80 ? 13.064 18.354 17.132 1.00 95.24 80 A 1 ATOM 640 N N . ALA A 1 81 ? 18.069 16.245 16.618 1.00 97.72 81 A 1 ATOM 641 C CA . ALA A 1 81 ? 19.298 15.784 17.265 1.00 97.57 81 A 1 ATOM 642 C C . ALA A 1 81 ? 20.436 16.815 17.144 1.00 97.49 81 A 1 ATOM 643 O O . ALA A 1 81 ? 21.140 17.064 18.123 1.00 97.42 81 A 1 ATOM 644 C CB . ALA A 1 81 ? 19.681 14.430 16.671 1.00 97.50 81 A 1 ATOM 645 N N . GLU A 1 82 ? 20.580 17.469 15.989 1.00 97.87 82 A 1 ATOM 646 C CA . GLU A 1 82 ? 21.556 18.552 15.782 1.00 97.65 82 A 1 ATOM 647 C C . GLU A 1 82 ? 21.292 19.740 16.720 1.00 97.36 82 A 1 ATOM 648 O O . GLU A 1 82 ? 22.231 20.276 17.307 1.00 96.78 82 A 1 ATOM 649 C CB . GLU A 1 82 ? 21.537 19.005 14.315 1.00 97.56 82 A 1 ATOM 650 C CG . GLU A 1 82 ? 22.188 17.978 13.377 1.00 96.64 82 A 1 ATOM 651 C CD . GLU A 1 82 ? 22.193 18.412 11.905 1.00 96.26 82 A 1 ATOM 652 O OE1 . GLU A 1 82 ? 23.051 17.898 11.154 1.00 92.97 82 A 1 ATOM 653 O OE2 . GLU A 1 82 ? 21.354 19.248 11.508 1.00 93.05 82 A 1 ATOM 654 N N . LYS A 1 83 ? 20.029 20.094 16.962 1.00 97.27 83 A 1 ATOM 655 C CA . LYS A 1 83 ? 19.653 21.110 17.966 1.00 96.93 83 A 1 ATOM 656 C C . LYS A 1 83 ? 20.082 20.741 19.390 1.00 96.48 83 A 1 ATOM 657 O O . LYS A 1 83 ? 20.247 21.636 20.218 1.00 94.92 83 A 1 ATOM 658 C CB . LYS A 1 83 ? 18.138 21.336 17.937 1.00 96.41 83 A 1 ATOM 659 C CG . LYS A 1 83 ? 17.698 22.166 16.727 1.00 87.24 83 A 1 ATOM 660 C CD . LYS A 1 83 ? 16.171 22.210 16.648 1.00 84.03 83 A 1 ATOM 661 C CE . LYS A 1 83 ? 15.752 22.976 15.393 1.00 72.67 83 A 1 ATOM 662 N NZ . LYS A 1 83 ? 14.277 23.027 15.252 1.00 65.84 83 A 1 ATOM 663 N N . GLN A 1 84 ? 20.264 19.461 19.685 1.00 96.90 84 A 1 ATOM 664 C CA . GLN A 1 84 ? 20.791 18.960 20.961 1.00 96.49 84 A 1 ATOM 665 C C . GLN A 1 84 ? 22.316 18.757 20.935 1.00 96.40 84 A 1 ATOM 666 O O . GLN A 1 84 ? 22.875 18.203 21.877 1.00 94.94 84 A 1 ATOM 667 C CB . GLN A 1 84 ? 20.057 17.672 21.356 1.00 95.92 84 A 1 ATOM 668 C CG . GLN A 1 84 ? 18.536 17.838 21.495 1.00 93.88 84 A 1 ATOM 669 C CD . GLN A 1 84 ? 18.139 18.876 22.536 1.00 91.28 84 A 1 ATOM 670 O OE1 . GLN A 1 84 ? 18.554 18.827 23.683 1.00 81.30 84 A 1 ATOM 671 N NE2 . GLN A 1 84 ? 17.327 19.841 22.165 1.00 79.00 84 A 1 ATOM 672 N N . GLY A 1 85 ? 22.996 19.197 19.880 1.00 96.29 85 A 1 ATOM 673 C CA . GLY A 1 85 ? 24.455 19.153 19.758 1.00 96.07 85 A 1 ATOM 674 C C . GLY A 1 85 ? 25.025 17.835 19.233 1.00 96.57 85 A 1 ATOM 675 O O . GLY A 1 85 ? 26.234 17.621 19.332 1.00 95.41 85 A 1 ATOM 676 N N . ILE A 1 86 ? 24.200 16.950 18.678 1.00 96.96 86 A 1 ATOM 677 C CA . ILE A 1 86 ? 24.687 15.714 18.047 1.00 97.04 86 A 1 ATOM 678 C C . ILE A 1 86 ? 25.218 16.028 16.648 1.00 96.90 86 A 1 ATOM 679 O O . ILE A 1 86 ? 24.539 16.657 15.840 1.00 96.22 86 A 1 ATOM 680 C CB . ILE A 1 86 ? 23.598 14.625 18.008 1.00 96.81 86 A 1 ATOM 681 C CG1 . ILE A 1 86 ? 23.035 14.310 19.408 1.00 94.93 86 A 1 ATOM 682 C CG2 . ILE A 1 86 ? 24.119 13.341 17.341 1.00 95.43 86 A 1 ATOM 683 C CD1 . ILE A 1 86 ? 24.057 13.809 20.433 1.00 85.93 86 A 1 ATOM 684 N N . GLN A 1 87 ? 26.422 15.553 16.361 1.00 96.39 87 A 1 ATOM 685 C CA . GLN A 1 87 ? 27.034 15.669 15.039 1.00 95.99 87 A 1 ATOM 686 C C . GLN A 1 87 ? 26.989 14.319 14.319 1.00 95.73 87 A 1 ATOM 687 O O . GLN A 1 87 ? 27.470 13.312 14.837 1.00 94.49 87 A 1 ATOM 688 C CB . GLN A 1 87 ? 28.465 16.197 15.184 1.00 95.07 87 A 1 ATOM 689 C CG . GLN A 1 87 ? 29.109 16.481 13.820 1.00 87.20 87 A 1 ATOM 690 C CD . GLN A 1 87 ? 30.531 17.029 13.936 1.00 81.22 87 A 1 ATOM 691 O OE1 . GLN A 1 87 ? 31.111 17.145 15.002 1.00 72.74 87 A 1 ATOM 692 N NE2 . GLN A 1 87 ? 31.141 17.376 12.824 1.00 69.18 87 A 1 ATOM 693 N N . PHE A 1 88 ? 26.451 14.307 13.111 1.00 95.46 88 A 1 ATOM 694 C CA . PHE A 1 88 ? 26.352 13.111 12.276 1.00 95.03 88 A 1 ATOM 695 C C . PHE A 1 88 ? 27.436 13.081 11.198 1.00 94.07 88 A 1 ATOM 696 O O . PHE A 1 88 ? 27.942 14.116 10.771 1.00 91.55 88 A 1 ATOM 697 C CB . PHE A 1 88 ? 24.955 13.026 11.666 1.00 94.99 88 A 1 ATOM 698 C CG . PHE A 1 88 ? 23.864 12.913 12.706 1.00 96.29 88 A 1 ATOM 699 C CD1 . PHE A 1 88 ? 23.627 11.687 13.345 1.00 95.72 88 A 1 ATOM 700 C CD2 . PHE A 1 88 ? 23.100 14.034 13.059 1.00 96.02 88 A 1 ATOM 701 C CE1 . PHE A 1 88 ? 22.628 11.578 14.318 1.00 95.63 88 A 1 ATOM 702 C CE2 . PHE A 1 88 ? 22.099 13.933 14.035 1.00 95.75 88 A 1 ATOM 703 C CZ . PHE A 1 88 ? 21.863 12.701 14.663 1.00 96.33 88 A 1 ATOM 704 N N . LEU A 1 89 ? 27.766 11.876 10.758 1.00 92.19 89 A 1 ATOM 705 C CA . LEU A 1 89 ? 28.610 11.654 9.584 1.00 91.15 89 A 1 ATOM 706 C C . LEU A 1 89 ? 27.718 11.417 8.358 1.00 90.58 89 A 1 ATOM 707 O O . LEU A 1 89 ? 26.710 10.718 8.444 1.00 88.31 89 A 1 ATOM 708 C CB . LEU A 1 89 ? 29.544 10.457 9.827 1.00 88.38 89 A 1 ATOM 709 C CG . LEU A 1 89 ? 30.514 10.622 11.010 1.00 80.54 89 A 1 ATOM 710 C CD1 . LEU A 1 89 ? 31.302 9.333 11.213 1.00 75.41 89 A 1 ATOM 711 C CD2 . LEU A 1 89 ? 31.499 11.770 10.785 1.00 73.36 89 A 1 ATOM 712 N N . GLU A 1 90 ? 28.108 11.968 7.213 1.00 90.10 90 A 1 ATOM 713 C CA . GLU A 1 90 ? 27.422 11.701 5.937 1.00 88.53 90 A 1 ATOM 714 C C . GLU A 1 90 ? 27.773 10.324 5.370 1.00 85.63 90 A 1 ATOM 715 O O . GLU A 1 90 ? 26.970 9.714 4.670 1.00 79.72 90 A 1 ATOM 716 C CB . GLU A 1 90 ? 27.783 12.770 4.904 1.00 85.18 90 A 1 ATOM 717 C CG . GLU A 1 90 ? 27.149 14.125 5.223 1.00 74.74 90 A 1 ATOM 718 C CD . GLU A 1 90 ? 27.300 15.141 4.088 1.00 73.43 90 A 1 ATOM 719 O OE1 . GLU A 1 90 ? 27.415 16.344 4.402 1.00 66.84 90 A 1 ATOM 720 O OE2 . GLU A 1 90 ? 27.260 14.733 2.909 1.00 69.06 90 A 1 ATOM 721 N N . HIS A 1 91 ? 28.963 9.828 5.699 1.00 79.28 91 A 1 ATOM 722 C CA . HIS A 1 91 ? 29.475 8.561 5.190 1.00 74.23 91 A 1 ATOM 723 C C . HIS A 1 91 ? 29.863 7.659 6.356 1.00 71.45 91 A 1 ATOM 724 O O . HIS A 1 91 ? 30.609 8.056 7.245 1.00 63.82 91 A 1 ATOM 725 C CB . HIS A 1 91 ? 30.656 8.824 4.253 1.00 66.66 91 A 1 ATOM 726 C CG . HIS A 1 91 ? 30.294 9.733 3.109 1.00 56.10 91 A 1 ATOM 727 N ND1 . HIS A 1 91 ? 29.465 9.409 2.056 1.00 48.93 91 A 1 ATOM 728 C CD2 . HIS A 1 91 ? 30.653 11.045 2.940 1.00 47.12 91 A 1 ATOM 729 C CE1 . HIS A 1 91 ? 29.335 10.493 1.272 1.00 42.93 91 A 1 ATOM 730 N NE2 . HIS A 1 91 ? 30.044 11.507 1.779 1.00 43.49 91 A 1 ATOM 731 N N . HIS A 1 92 ? 29.377 6.417 6.326 1.00 66.19 92 A 1 ATOM 732 C CA . HIS A 1 92 ? 29.717 5.426 7.348 1.00 62.57 92 A 1 ATOM 733 C C . HIS A 1 92 ? 31.197 5.030 7.296 1.00 60.22 92 A 1 ATOM 734 O O . HIS A 1 92 ? 31.825 4.826 8.338 1.00 54.58 92 A 1 ATOM 735 C CB . HIS A 1 92 ? 28.808 4.205 7.168 1.00 56.78 92 A 1 ATOM 736 C CG . HIS A 1 92 ? 28.977 3.194 8.265 1.00 51.39 92 A 1 ATOM 737 N ND1 . HIS A 1 92 ? 28.762 3.428 9.607 1.00 47.58 92 A 1 ATOM 738 C CD2 . HIS A 1 92 ? 29.377 1.891 8.149 1.00 44.33 92 A 1 ATOM 739 C CE1 . HIS A 1 92 ? 29.021 2.296 10.275 1.00 43.63 92 A 1 ATOM 740 N NE2 . HIS A 1 92 ? 29.393 1.341 9.425 1.00 43.58 92 A 1 ATOM 741 N N . HIS A 1 93 ? 31.758 4.951 6.085 1.00 60.80 93 A 1 ATOM 742 C CA . HIS A 1 93 ? 33.184 4.708 5.865 1.00 59.21 93 A 1 ATOM 743 C C . HIS A 1 93 ? 33.861 5.975 5.340 1.00 57.41 93 A 1 ATOM 744 O O . HIS A 1 93 ? 33.266 6.736 4.575 1.00 52.57 93 A 1 ATOM 745 C CB . HIS A 1 93 ? 33.372 3.533 4.904 1.00 54.75 93 A 1 ATOM 746 C CG . HIS A 1 93 ? 32.783 2.254 5.432 1.00 49.73 93 A 1 ATOM 747 N ND1 . HIS A 1 93 ? 31.546 1.756 5.113 1.00 45.55 93 A 1 ATOM 748 C CD2 . HIS A 1 93 ? 33.337 1.384 6.332 1.00 42.58 93 A 1 ATOM 749 C CE1 . HIS A 1 93 ? 31.355 0.620 5.798 1.00 40.16 93 A 1 ATOM 750 N NE2 . HIS A 1 93 ? 32.427 0.357 6.551 1.00 40.14 93 A 1 ATOM 751 N N . HIS A 1 94 ? 35.114 6.188 5.754 1.00 54.65 94 A 1 ATOM 752 C CA . HIS A 1 94 ? 35.902 7.305 5.246 1.00 54.25 94 A 1 ATOM 753 C C . HIS A 1 94 ? 36.191 7.130 3.755 1.00 52.49 94 A 1 ATOM 754 O O . HIS A 1 94 ? 36.450 6.023 3.284 1.00 48.27 94 A 1 ATOM 755 C CB . HIS A 1 94 ? 37.196 7.449 6.053 1.00 50.90 94 A 1 ATOM 756 C CG . HIS A 1 94 ? 36.943 7.855 7.482 1.00 45.95 94 A 1 ATOM 757 N ND1 . HIS A 1 94 ? 36.436 9.066 7.895 1.00 42.20 94 A 1 ATOM 758 C CD2 . HIS A 1 94 ? 37.162 7.114 8.611 1.00 39.54 94 A 1 ATOM 759 C CE1 . HIS A 1 94 ? 36.349 9.052 9.233 1.00 37.48 94 A 1 ATOM 760 N NE2 . HIS A 1 94 ? 36.787 7.884 9.705 1.00 38.00 94 A 1 ATOM 761 N N . HIS A 1 95 ? 36.167 8.248 3.031 1.00 50.85 95 A 1 ATOM 762 C CA . HIS A 1 95 ? 36.708 8.281 1.673 1.00 51.79 95 A 1 ATOM 763 C C . HIS A 1 95 ? 38.233 8.132 1.731 1.00 50.58 95 A 1 ATOM 764 O O . HIS A 1 95 ? 38.876 8.596 2.671 1.00 46.80 95 A 1 ATOM 765 C CB . HIS A 1 95 ? 36.292 9.583 0.978 1.00 49.13 95 A 1 ATOM 766 C CG . HIS A 1 95 ? 34.806 9.669 0.761 1.00 45.33 95 A 1 ATOM 767 N ND1 . HIS A 1 95 ? 34.075 8.862 -0.092 1.00 41.51 95 A 1 ATOM 768 C CD2 . HIS A 1 95 ? 33.930 10.539 1.348 1.00 38.97 95 A 1 ATOM 769 C CE1 . HIS A 1 95 ? 32.796 9.244 -0.021 1.00 38.05 95 A 1 ATOM 770 N NE2 . HIS A 1 95 ? 32.668 10.261 0.840 1.00 38.22 95 A 1 ATOM 771 N N . HIS A 1 96 ? 38.780 7.467 0.745 1.00 52.38 96 A 1 ATOM 772 C CA . HIS A 1 96 ? 40.223 7.263 0.590 1.00 53.02 96 A 1 ATOM 773 C C . HIS A 1 96 ? 40.680 7.647 -0.826 1.00 50.22 96 A 1 ATOM 774 O O . HIS A 1 96 ? 39.849 7.659 -1.746 1.00 45.63 96 A 1 ATOM 775 C CB . HIS A 1 96 ? 40.583 5.813 0.963 1.00 48.40 96 A 1 ATOM 776 C CG . HIS A 1 96 ? 39.925 4.776 0.081 1.00 45.48 96 A 1 ATOM 777 N ND1 . HIS A 1 96 ? 40.205 4.570 -1.242 1.00 41.74 96 A 1 ATOM 778 C CD2 . HIS A 1 96 ? 38.960 3.870 0.419 1.00 39.12 96 A 1 ATOM 779 C CE1 . HIS A 1 96 ? 39.426 3.576 -1.690 1.00 39.67 96 A 1 ATOM 780 N NE2 . HIS A 1 96 ? 38.662 3.117 -0.712 1.00 43.16 96 A 1 ATOM 781 O OXT . HIS A 1 96 ? 41.906 7.928 -0.956 1.00 41.75 96 A 1 ATOM 782 N N . MET B 2 1 ? -21.440 -9.069 -14.506 1.00 88.12 1 B 1 ATOM 783 C CA . MET B 2 1 ? -21.302 -8.894 -13.048 1.00 92.93 1 B 1 ATOM 784 C C . MET B 2 1 ? -20.416 -7.687 -12.768 1.00 95.54 1 B 1 ATOM 785 O O . MET B 2 1 ? -19.304 -7.627 -13.277 1.00 94.92 1 B 1 ATOM 786 C CB . MET B 2 1 ? -20.728 -10.173 -12.445 1.00 87.23 1 B 1 ATOM 787 C CG . MET B 2 1 ? -20.808 -10.203 -10.932 1.00 82.09 1 B 1 ATOM 788 S SD . MET B 2 1 ? -20.222 -11.788 -10.269 1.00 80.40 1 B 1 ATOM 789 C CE . MET B 2 1 ? -20.895 -11.680 -8.610 1.00 69.13 1 B 1 ATOM 790 N N . LYS B 2 2 ? -20.898 -6.711 -11.985 1.00 93.68 2 B 1 ATOM 791 C CA . LYS B 2 2 ? -20.147 -5.488 -11.670 1.00 95.40 2 B 1 ATOM 792 C C . LYS B 2 2 ? -19.401 -5.634 -10.347 1.00 96.19 2 B 1 ATOM 793 O O . LYS B 2 2 ? -20.022 -5.838 -9.302 1.00 95.26 2 B 1 ATOM 794 C CB . LYS B 2 2 ? -21.083 -4.271 -11.670 1.00 94.21 2 B 1 ATOM 795 C CG . LYS B 2 2 ? -20.301 -2.962 -11.469 1.00 82.38 2 B 1 ATOM 796 C CD . LYS B 2 2 ? -21.225 -1.743 -11.507 1.00 74.19 2 B 1 ATOM 797 C CE . LYS B 2 2 ? -20.402 -0.473 -11.270 1.00 61.93 2 B 1 ATOM 798 N NZ . LYS B 2 2 ? -21.248 0.743 -11.259 1.00 54.29 2 B 1 ATOM 799 N N . ILE B 2 3 ? -18.084 -5.485 -10.389 1.00 96.66 3 B 1 ATOM 800 C CA . ILE B 2 3 ? -17.227 -5.530 -9.200 1.00 96.97 3 B 1 ATOM 801 C C . ILE B 2 3 ? -17.070 -4.122 -8.619 1.00 97.12 3 B 1 ATOM 802 O O . ILE B 2 3 ? -16.881 -3.148 -9.345 1.00 96.68 3 B 1 ATOM 803 C CB . ILE B 2 3 ? -15.863 -6.170 -9.522 1.00 96.66 3 B 1 ATOM 804 C CG1 . ILE B 2 3 ? -15.981 -7.463 -10.361 1.00 94.59 3 B 1 ATOM 805 C CG2 . ILE B 2 3 ? -15.083 -6.440 -8.230 1.00 95.71 3 B 1 ATOM 806 C CD1 . ILE B 2 3 ? -16.920 -8.524 -9.791 1.00 87.12 3 B 1 ATOM 807 N N . THR B 2 4 ? -17.135 -4.036 -7.297 1.00 97.11 4 B 1 ATOM 808 C CA . THR B 2 4 ? -16.881 -2.816 -6.516 1.00 96.59 4 B 1 ATOM 809 C C . THR B 2 4 ? -16.021 -3.163 -5.300 1.00 96.55 4 B 1 ATOM 810 O O . THR B 2 4 ? -15.844 -4.337 -4.969 1.00 96.00 4 B 1 ATOM 811 C CB . THR B 2 4 ? -18.193 -2.164 -6.050 1.00 95.84 4 B 1 ATOM 812 O OG1 . THR B 2 4 ? -18.841 -2.970 -5.097 1.00 92.86 4 B 1 ATOM 813 C CG2 . THR B 2 4 ? -19.177 -1.894 -7.189 1.00 91.91 4 B 1 ATOM 814 N N . SER B 2 5 ? -15.512 -2.170 -4.589 1.00 96.41 5 B 1 ATOM 815 C CA . SER B 2 5 ? -14.805 -2.409 -3.323 1.00 95.72 5 B 1 ATOM 816 C C . SER B 2 5 ? -15.700 -3.066 -2.262 1.00 95.27 5 B 1 ATOM 817 O O . SER B 2 5 ? -15.208 -3.825 -1.430 1.00 94.09 5 B 1 ATOM 818 C CB . SER B 2 5 ? -14.237 -1.095 -2.789 1.00 94.89 5 B 1 ATOM 819 O OG . SER B 2 5 ? -15.255 -0.120 -2.675 1.00 85.23 5 B 1 ATOM 820 N N . SER B 2 6 ? -17.008 -2.829 -2.322 1.00 95.17 6 B 1 ATOM 821 C CA . SER B 2 6 ? -17.974 -3.330 -1.335 1.00 94.21 6 B 1 ATOM 822 C C . SER B 2 6 ? -18.332 -4.806 -1.528 1.00 93.85 6 B 1 ATOM 823 O O . SER B 2 6 ? -18.518 -5.518 -0.546 1.00 91.88 6 B 1 ATOM 824 C CB . SER B 2 6 ? -19.256 -2.496 -1.383 1.00 93.12 6 B 1 ATOM 825 O OG . SER B 2 6 ? -18.958 -1.123 -1.197 1.00 83.06 6 B 1 ATOM 826 N N . ASN B 2 7 ? -18.428 -5.288 -2.776 1.00 95.19 7 B 1 ATOM 827 C CA . ASN B 2 7 ? -18.776 -6.683 -3.072 1.00 95.03 7 B 1 ATOM 828 C C . ASN B 2 7 ? -17.567 -7.555 -3.448 1.00 95.62 7 B 1 ATOM 829 O O . ASN B 2 7 ? -17.723 -8.760 -3.628 1.00 94.96 7 B 1 ATOM 830 C CB . ASN B 2 7 ? -19.900 -6.736 -4.120 1.00 94.08 7 B 1 ATOM 831 C CG . ASN B 2 7 ? -19.475 -6.352 -5.527 1.00 94.53 7 B 1 ATOM 832 O OD1 . ASN B 2 7 ? -18.342 -6.029 -5.805 1.00 91.65 7 B 1 ATOM 833 N ND2 . ASN B 2 7 ? -20.402 -6.382 -6.457 1.00 91.37 7 B 1 ATOM 834 N N . PHE B 2 8 ? -16.376 -6.985 -3.534 1.00 95.61 8 B 1 ATOM 835 C CA . PHE B 2 8 ? -15.162 -7.690 -3.952 1.00 95.85 8 B 1 ATOM 836 C C . PHE B 2 8 ? -14.964 -9.021 -3.213 1.00 95.36 8 B 1 ATOM 837 O O . PHE B 2 8 ? -14.784 -10.063 -3.844 1.00 94.12 8 B 1 ATOM 838 C CB . PHE B 2 8 ? -13.956 -6.765 -3.742 1.00 96.16 8 B 1 ATOM 839 C CG . PHE B 2 8 ? -12.660 -7.307 -4.293 1.00 97.01 8 B 1 ATOM 840 C CD1 . PHE B 2 8 ? -11.938 -8.285 -3.594 1.00 96.69 8 B 1 ATOM 841 C CD2 . PHE B 2 8 ? -12.169 -6.833 -5.521 1.00 96.65 8 B 1 ATOM 842 C CE1 . PHE B 2 8 ? -10.750 -8.805 -4.127 1.00 96.38 8 B 1 ATOM 843 C CE2 . PHE B 2 8 ? -10.978 -7.344 -6.052 1.00 96.38 8 B 1 ATOM 844 C CZ . PHE B 2 8 ? -10.274 -8.338 -5.359 1.00 96.91 8 B 1 ATOM 845 N N . ALA B 2 9 ? -15.035 -9.000 -1.887 1.00 94.80 9 B 1 ATOM 846 C CA . ALA B 2 9 ? -14.793 -10.187 -1.062 1.00 93.83 9 B 1 ATOM 847 C C . ALA B 2 9 ? -15.864 -11.282 -1.229 1.00 93.61 9 B 1 ATOM 848 O O . ALA B 2 9 ? -15.565 -12.456 -1.020 1.00 91.99 9 B 1 ATOM 849 C CB . ALA B 2 9 ? -14.679 -9.741 0.399 1.00 92.11 9 B 1 ATOM 850 N N . THR B 2 10 ? -17.088 -10.932 -1.628 1.00 94.51 10 B 1 ATOM 851 C CA . THR B 2 10 ? -18.171 -11.906 -1.851 1.00 94.00 10 B 1 ATOM 852 C C . THR B 2 10 ? -18.073 -12.579 -3.221 1.00 94.07 10 B 1 ATOM 853 O O . THR B 2 10 ? -18.639 -13.650 -3.425 1.00 92.97 10 B 1 ATOM 854 C CB . THR B 2 10 ? -19.558 -11.269 -1.679 1.00 92.83 10 B 1 ATOM 855 O OG1 . THR B 2 10 ? -19.797 -10.276 -2.644 1.00 86.76 10 B 1 ATOM 856 C CG2 . THR B 2 10 ? -19.730 -10.621 -0.305 1.00 85.18 10 B 1 ATOM 857 N N . ILE B 2 11 ? -17.338 -11.981 -4.146 1.00 95.50 11 B 1 ATOM 858 C CA . ILE B 2 11 ? -17.123 -12.502 -5.502 1.00 95.32 11 B 1 ATOM 859 C C . ILE B 2 11 ? -15.771 -13.216 -5.613 1.00 95.41 11 B 1 ATOM 860 O O . ILE B 2 11 ? -15.685 -14.282 -6.225 1.00 94.76 11 B 1 ATOM 861 C CB . ILE B 2 11 ? -17.245 -11.347 -6.519 1.00 94.92 11 B 1 ATOM 862 C CG1 . ILE B 2 11 ? -18.679 -10.767 -6.500 1.00 92.14 11 B 1 ATOM 863 C CG2 . ILE B 2 11 ? -16.878 -11.823 -7.936 1.00 91.88 11 B 1 ATOM 864 C CD1 . ILE B 2 11 ? -18.781 -9.375 -7.128 1.00 81.93 11 B 1 ATOM 865 N N . ALA B 2 12 ? -14.721 -12.667 -5.017 1.00 95.11 12 B 1 ATOM 866 C CA . ALA B 2 12 ? -13.368 -13.222 -5.034 1.00 94.64 12 B 1 ATOM 867 C C . ALA B 2 12 ? -13.218 -14.402 -4.057 1.00 94.34 12 B 1 ATOM 868 O O . ALA B 2 12 ? -12.388 -14.389 -3.153 1.00 93.13 12 B 1 ATOM 869 C CB . ALA B 2 12 ? -12.373 -12.093 -4.772 1.00 94.20 12 B 1 ATOM 870 N N . THR B 2 13 ? -14.032 -15.439 -4.246 1.00 94.30 13 B 1 ATOM 871 C CA . THR B 2 13 ? -14.075 -16.631 -3.390 1.00 93.86 13 B 1 ATOM 872 C C . THR B 2 13 ? -13.320 -17.802 -4.016 1.00 94.20 13 B 1 ATOM 873 O O . THR B 2 13 ? -13.129 -17.871 -5.233 1.00 94.11 13 B 1 ATOM 874 C CB . THR B 2 13 ? -15.522 -17.043 -3.080 1.00 93.10 13 B 1 ATOM 875 O OG1 . THR B 2 13 ? -16.160 -17.505 -4.243 1.00 91.51 13 B 1 ATOM 876 C CG2 . THR B 2 13 ? -16.354 -15.892 -2.502 1.00 91.18 13 B 1 ATOM 877 N N . SER B 2 14 ? -12.916 -18.773 -3.190 1.00 92.76 14 B 1 ATOM 878 C CA . SER B 2 14 ? -12.302 -20.021 -3.660 1.00 92.70 14 B 1 ATOM 879 C C . SER B 2 14 ? -13.242 -20.827 -4.560 1.00 93.34 14 B 1 ATOM 880 O O . SER B 2 14 ? -12.793 -21.439 -5.526 1.00 93.25 14 B 1 ATOM 881 C CB . SER B 2 14 ? -11.872 -20.870 -2.461 1.00 91.33 14 B 1 ATOM 882 O OG . SER B 2 14 ? -12.952 -21.071 -1.569 1.00 80.39 14 B 1 ATOM 883 N N . GLU B 2 15 ? -14.545 -20.784 -4.299 1.00 93.49 15 B 1 ATOM 884 C CA . GLU B 2 15 ? -15.567 -21.441 -5.117 1.00 93.31 15 B 1 ATOM 885 C C . GLU B 2 15 ? -15.623 -20.842 -6.529 1.00 94.30 15 B 1 ATOM 886 O O . GLU B 2 15 ? -15.557 -21.574 -7.520 1.00 94.30 15 B 1 ATOM 887 C CB . GLU B 2 15 ? -16.919 -21.313 -4.407 1.00 92.08 15 B 1 ATOM 888 C CG . GLU B 2 15 ? -18.028 -22.079 -5.137 1.00 79.84 15 B 1 ATOM 889 C CD . GLU B 2 15 ? -19.399 -21.932 -4.476 1.00 72.62 15 B 1 ATOM 890 O OE1 . GLU B 2 15 ? -20.378 -22.406 -5.089 1.00 65.71 15 B 1 ATOM 891 O OE2 . GLU B 2 15 ? -19.481 -21.354 -3.371 1.00 66.32 15 B 1 ATOM 892 N N . ASN B 2 16 ? -15.677 -19.519 -6.640 1.00 95.20 16 B 1 ATOM 893 C CA . ASN B 2 16 ? -15.653 -18.846 -7.938 1.00 95.61 16 B 1 ATOM 894 C C . ASN B 2 16 ? -14.322 -19.071 -8.669 1.00 96.23 16 B 1 ATOM 895 O O . ASN B 2 16 ? -14.319 -19.338 -9.869 1.00 96.31 16 B 1 ATOM 896 C CB . ASN B 2 16 ? -15.959 -17.354 -7.745 1.00 95.35 16 B 1 ATOM 897 C CG . ASN B 2 16 ? -17.445 -17.071 -7.596 1.00 94.95 16 B 1 ATOM 898 O OD1 . ASN B 2 16 ? -18.303 -17.824 -8.034 1.00 92.37 16 B 1 ATOM 899 N ND2 . ASN B 2 16 ? -17.785 -15.932 -7.028 1.00 92.11 16 B 1 ATOM 900 N N . PHE B 2 17 ? -13.205 -19.047 -7.956 1.00 96.14 17 B 1 ATOM 901 C CA . PHE B 2 17 ? -11.895 -19.345 -8.541 1.00 96.41 17 B 1 ATOM 902 C C . PHE B 2 17 ? -11.830 -20.768 -9.112 1.00 96.65 17 B 1 ATOM 903 O O . PHE B 2 17 ? -11.300 -20.968 -10.207 1.00 96.78 17 B 1 ATOM 904 C CB . PHE B 2 17 ? -10.801 -19.126 -7.492 1.00 96.33 17 B 1 ATOM 905 C CG . PHE B 2 17 ? -9.414 -19.338 -8.056 1.00 96.49 17 B 1 ATOM 906 C CD1 . PHE B 2 17 ? -8.830 -18.355 -8.865 1.00 95.94 17 B 1 ATOM 907 C CD2 . PHE B 2 17 ? -8.721 -20.534 -7.821 1.00 95.93 17 B 1 ATOM 908 C CE1 . PHE B 2 17 ? -7.570 -18.564 -9.438 1.00 94.95 17 B 1 ATOM 909 C CE2 . PHE B 2 17 ? -7.456 -20.753 -8.393 1.00 94.97 17 B 1 ATOM 910 C CZ . PHE B 2 17 ? -6.886 -19.764 -9.204 1.00 95.21 17 B 1 ATOM 911 N N . ALA B 2 18 ? -12.407 -21.756 -8.421 1.00 96.28 18 B 1 ATOM 912 C CA . ALA B 2 18 ? -12.421 -23.148 -8.870 1.00 96.12 18 B 1 ATOM 913 C C . ALA B 2 18 ? -13.145 -23.328 -10.218 1.00 96.27 18 B 1 ATOM 914 O O . ALA B 2 18 ? -12.727 -24.157 -11.030 1.00 95.93 18 B 1 ATOM 915 C CB . ALA B 2 18 ? -13.047 -24.010 -7.767 1.00 95.38 18 B 1 ATOM 916 N N . LYS B 2 19 ? -14.157 -22.517 -10.516 1.00 96.72 19 B 1 ATOM 917 C CA . LYS B 2 19 ? -14.878 -22.546 -11.802 1.00 96.73 19 B 1 ATOM 918 C C . LYS B 2 19 ? -13.978 -22.234 -13.002 1.00 97.06 19 B 1 ATOM 919 O O . LYS B 2 19 ? -14.233 -22.724 -14.100 1.00 96.64 19 B 1 ATOM 920 C CB . LYS B 2 19 ? -16.059 -21.567 -11.760 1.00 95.99 19 B 1 ATOM 921 C CG . LYS B 2 19 ? -17.111 -21.962 -10.715 1.00 94.80 19 B 1 ATOM 922 C CD . LYS B 2 19 ? -18.234 -20.927 -10.651 1.00 92.40 19 B 1 ATOM 923 C CE . LYS B 2 19 ? -19.249 -21.349 -9.590 1.00 88.55 19 B 1 ATOM 924 N NZ . LYS B 2 19 ? -20.440 -20.471 -9.608 1.00 82.23 19 B 1 ATOM 925 N N . LEU B 2 20 ? -12.901 -21.492 -12.798 1.00 97.41 20 B 1 ATOM 926 C CA . LEU B 2 20 ? -11.938 -21.171 -13.859 1.00 97.40 20 B 1 ATOM 927 C C . LEU B 2 20 ? -11.191 -22.407 -14.385 1.00 97.23 20 B 1 ATOM 928 O O . LEU B 2 20 ? -10.667 -22.376 -15.494 1.00 96.70 20 B 1 ATOM 929 C CB . LEU B 2 20 ? -10.931 -20.125 -13.354 1.00 97.37 20 B 1 ATOM 930 C CG . LEU B 2 20 ? -11.541 -18.813 -12.831 1.00 96.97 20 B 1 ATOM 931 C CD1 . LEU B 2 20 ? -10.420 -17.885 -12.361 1.00 96.41 20 B 1 ATOM 932 C CD2 . LEU B 2 20 ? -12.361 -18.095 -13.896 1.00 96.07 20 B 1 ATOM 933 N N . SER B 2 21 ? -11.155 -23.504 -13.633 1.00 97.03 21 B 1 ATOM 934 C CA . SER B 2 21 ? -10.498 -24.752 -14.053 1.00 96.36 21 B 1 ATOM 935 C C . SER B 2 21 ? -11.152 -25.406 -15.282 1.00 96.19 21 B 1 ATOM 936 O O . SER B 2 21 ? -10.490 -26.154 -16.001 1.00 94.15 21 B 1 ATOM 937 C CB . SER B 2 21 ? -10.460 -25.742 -12.886 1.00 95.05 21 B 1 ATOM 938 O OG . SER B 2 21 ? -11.753 -26.217 -12.569 1.00 85.67 21 B 1 ATOM 939 N N . VAL B 2 22 ? -12.422 -25.098 -15.552 1.00 95.80 22 B 1 ATOM 940 C CA . VAL B 2 22 ? -13.195 -25.616 -16.693 1.00 95.10 22 B 1 ATOM 941 C C . VAL B 2 22 ? -12.785 -24.952 -18.014 1.00 95.71 22 B 1 ATOM 942 O O . VAL B 2 22 ? -12.964 -25.532 -19.087 1.00 93.21 22 B 1 ATOM 943 C CB . VAL B 2 22 ? -14.708 -25.426 -16.439 1.00 92.37 22 B 1 ATOM 944 C CG1 . VAL B 2 22 ? -15.570 -26.074 -17.525 1.00 81.51 22 B 1 ATOM 945 C CG2 . VAL B 2 22 ? -15.131 -26.033 -15.094 1.00 82.45 22 B 1 ATOM 946 N N . LEU B 2 23 ? -12.211 -23.757 -17.961 1.00 96.60 23 B 1 ATOM 947 C CA . LEU B 2 23 ? -11.805 -23.020 -19.156 1.00 96.47 23 B 1 ATOM 948 C C . LEU B 2 23 ? -10.706 -23.758 -19.939 1.00 96.28 23 B 1 ATOM 949 O O . LEU B 2 23 ? -9.849 -24.418 -19.341 1.00 95.43 23 B 1 ATOM 950 C CB . LEU B 2 23 ? -11.317 -21.618 -18.760 1.00 96.24 23 B 1 ATOM 951 C CG . LEU B 2 23 ? -12.406 -20.687 -18.202 1.00 95.67 23 B 1 ATOM 952 C CD1 . LEU B 2 23 ? -11.754 -19.449 -17.592 1.00 94.52 23 B 1 ATOM 953 C CD2 . LEU B 2 23 ? -13.371 -20.246 -19.300 1.00 94.28 23 B 1 ATOM 954 N N . PRO B 2 24 ? -10.654 -23.612 -21.276 1.00 95.75 24 B 1 ATOM 955 C CA . PRO B 2 24 ? -9.512 -24.085 -22.054 1.00 94.87 24 B 1 ATOM 956 C C . PRO B 2 24 ? -8.236 -23.333 -21.644 1.00 95.22 24 B 1 ATOM 957 O O . PRO B 2 24 ? -8.281 -22.168 -21.245 1.00 94.29 24 B 1 ATOM 958 C CB . PRO B 2 24 ? -9.905 -23.859 -23.516 1.00 93.02 24 B 1 ATOM 959 C CG . PRO B 2 24 ? -10.896 -22.701 -23.446 1.00 91.30 24 B 1 ATOM 960 C CD . PRO B 2 24 ? -11.610 -22.912 -22.116 1.00 94.59 24 B 1 ATOM 961 N N . LYS B 2 25 ? -7.079 -24.000 -21.767 1.00 94.83 25 B 1 ATOM 962 C CA . LYS B 2 25 ? -5.800 -23.519 -21.216 1.00 94.55 25 B 1 ATOM 963 C C . LYS B 2 25 ? -5.429 -22.096 -21.641 1.00 94.57 25 B 1 ATOM 964 O O . LYS B 2 25 ? -4.927 -21.326 -20.821 1.00 91.85 25 B 1 ATOM 965 C CB . LYS B 2 25 ? -4.692 -24.517 -21.587 1.00 92.67 25 B 1 ATOM 966 C CG . LYS B 2 25 ? -3.354 -24.179 -20.916 1.00 81.62 25 B 1 ATOM 967 C CD . LYS B 2 25 ? -2.289 -25.236 -21.218 1.00 77.91 25 B 1 ATOM 968 C CE . LYS B 2 25 ? -0.977 -24.846 -20.526 1.00 67.44 25 B 1 ATOM 969 N NZ . LYS B 2 25 ? 0.094 -25.848 -20.747 1.00 60.56 25 B 1 ATOM 970 N N . ASN B 2 26 ? -5.684 -21.734 -22.892 1.00 94.48 26 B 1 ATOM 971 C CA . ASN B 2 26 ? -5.374 -20.405 -23.434 1.00 93.86 26 B 1 ATOM 972 C C . ASN B 2 26 ? -6.133 -19.267 -22.726 1.00 94.30 26 B 1 ATOM 973 O O . ASN B 2 26 ? -5.607 -18.164 -22.617 1.00 91.95 26 B 1 ATOM 974 C CB . ASN B 2 26 ? -5.652 -20.398 -24.947 1.00 91.90 26 B 1 ATOM 975 C CG . ASN B 2 26 ? -7.106 -20.666 -25.307 1.00 85.40 26 B 1 ATOM 976 O OD1 . ASN B 2 26 ? -7.808 -21.404 -24.644 1.00 76.09 26 B 1 ATOM 977 N ND2 . ASN B 2 26 ? -7.587 -20.077 -26.381 1.00 76.25 26 B 1 ATOM 978 N N . HIS B 2 27 ? -7.332 -19.532 -22.216 1.00 94.47 27 B 1 ATOM 979 C CA . HIS B 2 27 ? -8.105 -18.580 -21.416 1.00 94.75 27 B 1 ATOM 980 C C . HIS B 2 27 ? -7.844 -18.751 -19.919 1.00 95.99 27 B 1 ATOM 981 O O . HIS B 2 27 ? -7.758 -17.767 -19.186 1.00 94.60 27 B 1 ATOM 982 C CB . HIS B 2 27 ? -9.596 -18.743 -21.729 1.00 92.67 27 B 1 ATOM 983 C CG . HIS B 2 27 ? -9.942 -18.363 -23.139 1.00 91.28 27 B 1 ATOM 984 N ND1 . HIS B 2 27 ? -9.871 -17.086 -23.656 1.00 79.50 27 B 1 ATOM 985 C CD2 . HIS B 2 27 ? -10.365 -19.180 -24.153 1.00 78.75 27 B 1 ATOM 986 C CE1 . HIS B 2 27 ? -10.243 -17.136 -24.943 1.00 81.08 27 B 1 ATOM 987 N NE2 . HIS B 2 27 ? -10.551 -18.391 -25.279 1.00 82.77 27 B 1 ATOM 988 N N . ARG B 2 28 ? -7.675 -19.993 -19.468 1.00 96.52 28 B 1 ATOM 989 C CA . ARG B 2 28 ? -7.577 -20.348 -18.047 1.00 96.67 28 B 1 ATOM 990 C C . ARG B 2 28 ? -6.437 -19.640 -17.328 1.00 96.63 28 B 1 ATOM 991 O O . ARG B 2 28 ? -6.674 -19.005 -16.307 1.00 96.12 28 B 1 ATOM 992 C CB . ARG B 2 28 ? -7.436 -21.870 -17.926 1.00 95.63 28 B 1 ATOM 993 C CG . ARG B 2 28 ? -7.561 -22.361 -16.484 1.00 92.23 28 B 1 ATOM 994 C CD . ARG B 2 28 ? -7.165 -23.837 -16.352 1.00 90.71 28 B 1 ATOM 995 N NE . ARG B 2 28 ? -7.862 -24.677 -17.335 1.00 84.39 28 B 1 ATOM 996 C CZ . ARG B 2 28 ? -7.463 -25.843 -17.810 1.00 81.39 28 B 1 ATOM 997 N NH1 . ARG B 2 28 ? -6.389 -26.442 -17.363 1.00 71.94 28 B 1 ATOM 998 N NH2 . ARG B 2 28 ? -8.154 -26.422 -18.749 1.00 74.57 28 B 1 ATOM 999 N N . GLU B 2 29 ? -5.211 -19.777 -17.835 1.00 96.20 29 B 1 ATOM 1000 C CA . GLU B 2 29 ? -4.036 -19.274 -17.115 1.00 95.88 29 B 1 ATOM 1001 C C . GLU B 2 29 ? -4.013 -17.738 -16.998 1.00 96.31 29 B 1 ATOM 1002 O O . GLU B 2 29 ? -3.843 -17.246 -15.882 1.00 95.50 29 B 1 ATOM 1003 C CB . GLU B 2 29 ? -2.735 -19.860 -17.692 1.00 94.74 29 B 1 ATOM 1004 C CG . GLU B 2 29 ? -2.613 -21.386 -17.497 1.00 87.00 29 B 1 ATOM 1005 C CD . GLU B 2 29 ? -2.798 -21.839 -16.042 1.00 77.24 29 B 1 ATOM 1006 O OE1 . GLU B 2 29 ? -3.548 -22.818 -15.813 1.00 71.25 29 B 1 ATOM 1007 O OE2 . GLU B 2 29 ? -2.241 -21.200 -15.134 1.00 71.01 29 B 1 ATOM 1008 N N . PRO B 2 30 ? -4.290 -16.957 -18.065 1.00 95.78 30 B 1 ATOM 1009 C CA . PRO B 2 30 ? -4.407 -15.499 -17.934 1.00 95.91 30 B 1 ATOM 1010 C C . PRO B 2 30 ? -5.493 -15.055 -16.947 1.00 96.72 30 B 1 ATOM 1011 O O . PRO B 2 30 ? -5.261 -14.156 -16.140 1.00 96.19 30 B 1 ATOM 1012 C CB . PRO B 2 30 ? -4.707 -14.993 -19.348 1.00 94.47 30 B 1 ATOM 1013 C CG . PRO B 2 30 ? -4.111 -16.066 -20.252 1.00 92.53 30 B 1 ATOM 1014 C CD . PRO B 2 30 ? -4.343 -17.347 -19.471 1.00 95.16 30 B 1 ATOM 1015 N N . ILE B 2 31 ? -6.665 -15.691 -16.982 1.00 97.42 31 B 1 ATOM 1016 C CA . ILE B 2 31 ? -7.790 -15.322 -16.112 1.00 97.86 31 B 1 ATOM 1017 C C . ILE B 2 31 ? -7.497 -15.680 -14.651 1.00 97.92 31 B 1 ATOM 1018 O O . ILE B 2 31 ? -7.721 -14.860 -13.762 1.00 97.84 31 B 1 ATOM 1019 C CB . ILE B 2 31 ? -9.105 -15.957 -16.620 1.00 97.90 31 B 1 ATOM 1020 C CG1 . ILE B 2 31 ? -9.488 -15.375 -18.001 1.00 97.52 31 B 1 ATOM 1021 C CG2 . ILE B 2 31 ? -10.250 -15.716 -15.622 1.00 97.44 31 B 1 ATOM 1022 C CD1 . ILE B 2 31 ? -10.648 -16.109 -18.694 1.00 96.22 31 B 1 ATOM 1023 N N . LYS B 2 32 ? -6.948 -16.874 -14.393 1.00 97.82 32 B 1 ATOM 1024 C CA . LYS B 2 32 ? -6.498 -17.274 -13.049 1.00 97.69 32 B 1 ATOM 1025 C C . LYS B 2 32 ? -5.444 -16.311 -12.498 1.00 97.60 32 B 1 ATOM 1026 O O . LYS B 2 32 ? -5.513 -15.949 -11.329 1.00 97.38 32 B 1 ATOM 1027 C CB . LYS B 2 32 ? -5.920 -18.692 -13.082 1.00 97.34 32 B 1 ATOM 1028 C CG . LYS B 2 32 ? -6.995 -19.790 -13.134 1.00 94.30 32 B 1 ATOM 1029 C CD . LYS B 2 32 ? -6.369 -21.169 -13.427 1.00 90.72 32 B 1 ATOM 1030 C CE . LYS B 2 32 ? -5.410 -21.629 -12.328 1.00 82.56 32 B 1 ATOM 1031 N NZ . LYS B 2 32 ? -4.487 -22.680 -12.820 1.00 75.52 32 B 1 ATOM 1032 N N . GLY B 2 33 ? -4.494 -15.891 -13.331 1.00 96.45 33 B 1 ATOM 1033 C CA . GLY B 2 33 ? -3.463 -14.925 -12.956 1.00 95.91 33 B 1 ATOM 1034 C C . GLY B 2 33 ? -4.055 -13.582 -12.529 1.00 96.47 33 B 1 ATOM 1035 O O . GLY B 2 33 ? -3.733 -13.087 -11.453 1.00 96.16 33 B 1 ATOM 1036 N N . LEU B 2 34 ? -4.970 -13.029 -13.321 1.00 96.61 34 B 1 ATOM 1037 C CA . LEU B 2 34 ? -5.669 -11.784 -12.979 1.00 96.80 34 B 1 ATOM 1038 C C . LEU B 2 34 ? -6.484 -11.911 -11.689 1.00 97.26 34 B 1 ATOM 1039 O O . LEU B 2 34 ? -6.423 -11.025 -10.842 1.00 97.11 34 B 1 ATOM 1040 C CB . LEU B 2 34 ? -6.600 -11.378 -14.130 1.00 96.22 34 B 1 ATOM 1041 C CG . LEU B 2 34 ? -5.894 -10.792 -15.363 1.00 92.98 34 B 1 ATOM 1042 C CD1 . LEU B 2 34 ? -6.904 -10.664 -16.502 1.00 91.85 34 B 1 ATOM 1043 C CD2 . LEU B 2 34 ? -5.313 -9.408 -15.074 1.00 91.71 34 B 1 ATOM 1044 N N . PHE B 2 35 ? -7.214 -13.012 -11.527 1.00 97.36 35 B 1 ATOM 1045 C CA . PHE B 2 35 ? -8.034 -13.252 -10.336 1.00 97.52 35 B 1 ATOM 1046 C C . PHE B 2 35 ? -7.171 -13.317 -9.069 1.00 97.47 35 B 1 ATOM 1047 O O . PHE B 2 35 ? -7.457 -12.626 -8.091 1.00 97.32 35 B 1 ATOM 1048 C CB . PHE B 2 35 ? -8.845 -14.534 -10.543 1.00 97.43 35 B 1 ATOM 1049 C CG . PHE B 2 35 ? -9.944 -14.774 -9.530 1.00 97.54 35 B 1 ATOM 1050 C CD1 . PHE B 2 35 ? -9.648 -15.114 -8.203 1.00 96.51 35 B 1 ATOM 1051 C CD2 . PHE B 2 35 ? -11.292 -14.708 -9.935 1.00 96.30 35 B 1 ATOM 1052 C CE1 . PHE B 2 35 ? -10.680 -15.376 -7.285 1.00 95.72 35 B 1 ATOM 1053 C CE2 . PHE B 2 35 ? -12.324 -14.979 -9.028 1.00 95.41 35 B 1 ATOM 1054 C CZ . PHE B 2 35 ? -12.019 -15.312 -7.699 1.00 96.10 35 B 1 ATOM 1055 N N . LYS B 2 36 ? -6.083 -14.095 -9.090 1.00 97.39 36 B 1 ATOM 1056 C CA . LYS B 2 36 ? -5.155 -14.192 -7.952 1.00 96.95 36 B 1 ATOM 1057 C C . LYS B 2 36 ? -4.506 -12.849 -7.627 1.00 96.85 36 B 1 ATOM 1058 O O . LYS B 2 36 ? -4.522 -12.428 -6.474 1.00 96.48 36 B 1 ATOM 1059 C CB . LYS B 2 36 ? -4.069 -15.229 -8.242 1.00 96.23 36 B 1 ATOM 1060 C CG . LYS B 2 36 ? -4.586 -16.671 -8.163 1.00 88.94 36 B 1 ATOM 1061 C CD . LYS B 2 36 ? -3.426 -17.618 -8.459 1.00 84.01 36 B 1 ATOM 1062 C CE . LYS B 2 36 ? -3.849 -19.067 -8.291 1.00 72.46 36 B 1 ATOM 1063 N NZ . LYS B 2 36 ? -2.682 -19.969 -8.460 1.00 65.77 36 B 1 ATOM 1064 N N . SER B 2 37 ? -3.995 -12.163 -8.639 1.00 96.52 37 B 1 ATOM 1065 C CA . SER B 2 37 ? -3.365 -10.849 -8.473 1.00 96.30 37 B 1 ATOM 1066 C C . SER B 2 37 ? -4.328 -9.837 -7.845 1.00 96.54 37 B 1 ATOM 1067 O O . SER B 2 37 ? -3.958 -9.124 -6.914 1.00 96.27 37 B 1 ATOM 1068 C CB . SER B 2 37 ? -2.871 -10.352 -9.834 1.00 95.73 37 B 1 ATOM 1069 O OG . SER B 2 37 ? -2.210 -9.111 -9.719 1.00 90.45 37 B 1 ATOM 1070 N N . ALA B 2 38 ? -5.578 -9.815 -8.295 1.00 97.21 38 B 1 ATOM 1071 C CA . ALA B 2 38 ? -6.598 -8.937 -7.733 1.00 97.33 38 B 1 ATOM 1072 C C . ALA B 2 38 ? -6.872 -9.245 -6.252 1.00 97.22 38 B 1 ATOM 1073 O O . ALA B 2 38 ? -6.918 -8.330 -5.434 1.00 97.13 38 B 1 ATOM 1074 C CB . ALA B 2 38 ? -7.874 -9.069 -8.570 1.00 97.53 38 B 1 ATOM 1075 N N . VAL B 2 39 ? -7.010 -10.524 -5.891 1.00 97.31 39 B 1 ATOM 1076 C CA . VAL B 2 39 ? -7.253 -10.947 -4.500 1.00 96.82 39 B 1 ATOM 1077 C C . VAL B 2 39 ? -6.088 -10.559 -3.592 1.00 96.42 39 B 1 ATOM 1078 O O . VAL B 2 39 ? -6.301 -9.974 -2.530 1.00 95.81 39 B 1 ATOM 1079 C CB . VAL B 2 39 ? -7.520 -12.464 -4.426 1.00 96.20 39 B 1 ATOM 1080 C CG1 . VAL B 2 39 ? -7.563 -12.979 -2.985 1.00 94.30 39 B 1 ATOM 1081 C CG2 . VAL B 2 39 ? -8.867 -12.800 -5.073 1.00 94.80 39 B 1 ATOM 1082 N N . GLU B 2 40 ? -4.860 -10.851 -4.010 1.00 96.13 40 B 1 ATOM 1083 C CA . GLU B 2 40 ? -3.655 -10.517 -3.246 1.00 95.44 40 B 1 ATOM 1084 C C . GLU B 2 40 ? -3.502 -9.004 -3.062 1.00 95.12 40 B 1 ATOM 1085 O O . GLU B 2 40 ? -3.264 -8.532 -1.950 1.00 94.20 40 B 1 ATOM 1086 C CB . GLU B 2 40 ? -2.427 -11.091 -3.960 1.00 94.55 40 B 1 ATOM 1087 C CG . GLU B 2 40 ? -2.332 -12.615 -3.853 1.00 85.11 40 B 1 ATOM 1088 C CD . GLU B 2 40 ? -1.195 -13.200 -4.699 1.00 80.73 40 B 1 ATOM 1089 O OE1 . GLU B 2 40 ? -1.180 -14.442 -4.870 1.00 76.69 40 B 1 ATOM 1090 O OE2 . GLU B 2 40 ? -0.344 -12.423 -5.190 1.00 76.78 40 B 1 ATOM 1091 N N . GLN B 2 41 ? -3.712 -8.238 -4.124 1.00 96.12 41 B 1 ATOM 1092 C CA . GLN B 2 41 ? -3.628 -6.776 -4.076 1.00 96.20 41 B 1 ATOM 1093 C C . GLN B 2 41 ? -4.702 -6.163 -3.172 1.00 95.74 41 B 1 ATOM 1094 O O . GLN B 2 41 ? -4.405 -5.279 -2.368 1.00 94.85 41 B 1 ATOM 1095 C CB . GLN B 2 41 ? -3.701 -6.234 -5.506 1.00 95.82 41 B 1 ATOM 1096 C CG . GLN B 2 41 ? -3.588 -4.706 -5.572 1.00 94.80 41 B 1 ATOM 1097 C CD . GLN B 2 41 ? -3.296 -4.198 -6.980 1.00 95.58 41 B 1 ATOM 1098 O OE1 . GLN B 2 41 ? -2.926 -4.929 -7.884 1.00 91.43 41 B 1 ATOM 1099 N NE2 . GLN B 2 41 ? -3.432 -2.911 -7.209 1.00 90.54 41 B 1 ATOM 1100 N N . PHE B 2 42 ? -5.939 -6.636 -3.263 1.00 96.43 42 B 1 ATOM 1101 C CA . PHE B 2 42 ? -7.029 -6.163 -2.405 1.00 95.77 42 B 1 ATOM 1102 C C . PHE B 2 42 ? -6.766 -6.470 -0.924 1.00 94.49 42 B 1 ATOM 1103 O O . PHE B 2 42 ? -7.013 -5.625 -0.062 1.00 92.72 42 B 1 ATOM 1104 C CB . PHE B 2 42 ? -8.338 -6.804 -2.869 1.00 95.81 42 B 1 ATOM 1105 C CG . PHE B 2 42 ? -9.564 -6.257 -2.174 1.00 95.84 42 B 1 ATOM 1106 C CD1 . PHE B 2 42 ? -10.041 -6.851 -0.995 1.00 94.46 42 B 1 ATOM 1107 C CD2 . PHE B 2 42 ? -10.239 -5.150 -2.713 1.00 94.47 42 B 1 ATOM 1108 C CE1 . PHE B 2 42 ? -11.184 -6.341 -0.361 1.00 93.40 42 B 1 ATOM 1109 C CE2 . PHE B 2 42 ? -11.384 -4.639 -2.085 1.00 93.50 42 B 1 ATOM 1110 C CZ . PHE B 2 42 ? -11.855 -5.235 -0.908 1.00 93.91 42 B 1 ATOM 1111 N N . SER B 2 43 ? -6.235 -7.652 -0.628 1.00 93.34 43 B 1 ATOM 1112 C CA . SER B 2 43 ? -5.874 -8.041 0.738 1.00 91.32 43 B 1 ATOM 1113 C C . SER B 2 43 ? -4.723 -7.188 1.284 1.00 90.13 43 B 1 ATOM 1114 O O . SER B 2 43 ? -4.848 -6.602 2.359 1.00 87.03 43 B 1 ATOM 1115 C CB . SER B 2 43 ? -5.516 -9.531 0.767 1.00 89.45 43 B 1 ATOM 1116 O OG . SER B 2 43 ? -5.332 -9.955 2.103 1.00 77.11 43 B 1 ATOM 1117 N N . SER B 2 44 ? -3.634 -7.049 0.529 1.00 89.34 44 B 1 ATOM 1118 C CA . SER B 2 44 ? -2.462 -6.273 0.958 1.00 88.31 44 B 1 ATOM 1119 C C . SER B 2 44 ? -2.745 -4.774 1.079 1.00 89.29 44 B 1 ATOM 1120 O O . SER B 2 44 ? -2.136 -4.105 1.911 1.00 87.83 44 B 1 ATOM 1121 C CB . SER B 2 44 ? -1.277 -6.522 0.020 1.00 85.22 44 B 1 ATOM 1122 O OG . SER B 2 44 ? -1.507 -5.999 -1.270 1.00 77.14 44 B 1 ATOM 1123 N N . ALA B 2 45 ? -3.708 -4.244 0.338 1.00 92.79 45 B 1 ATOM 1124 C CA . ALA B 2 45 ? -4.115 -2.844 0.450 1.00 93.59 45 B 1 ATOM 1125 C C . ALA B 2 45 ? -4.582 -2.463 1.866 1.00 93.19 45 B 1 ATOM 1126 O O . ALA B 2 45 ? -4.438 -1.312 2.275 1.00 91.75 45 B 1 ATOM 1127 C CB . ALA B 2 45 ? -5.223 -2.573 -0.573 1.00 94.13 45 B 1 ATOM 1128 N N . ARG B 2 46 ? -5.105 -3.412 2.641 1.00 92.25 46 B 1 ATOM 1129 C CA . ARG B 2 46 ? -5.499 -3.177 4.044 1.00 91.04 46 B 1 ATOM 1130 C C . ARG B 2 46 ? -4.292 -3.067 4.978 1.00 91.28 46 B 1 ATOM 1131 O O . ARG B 2 46 ? -4.389 -2.418 6.017 1.00 88.34 46 B 1 ATOM 1132 C CB . ARG B 2 46 ? -6.444 -4.288 4.510 1.00 88.36 46 B 1 ATOM 1133 C CG . ARG B 2 46 ? -7.772 -4.273 3.739 1.00 75.63 46 B 1 ATOM 1134 C CD . ARG B 2 46 ? -8.651 -5.444 4.162 1.00 69.84 46 B 1 ATOM 1135 N NE . ARG B 2 46 ? -9.951 -5.415 3.462 1.00 60.70 46 B 1 ATOM 1136 C CZ . ARG B 2 46 ? -10.728 -6.455 3.211 1.00 53.58 46 B 1 ATOM 1137 N NH1 . ARG B 2 46 ? -10.412 -7.663 3.590 1.00 48.33 46 B 1 ATOM 1138 N NH2 . ARG B 2 46 ? -11.844 -6.290 2.569 1.00 46.57 46 B 1 ATOM 1139 N N . ASP B 2 47 ? -3.171 -3.666 4.609 1.00 88.71 47 B 1 ATOM 1140 C CA . ASP B 2 47 ? -1.967 -3.671 5.441 1.00 88.00 47 B 1 ATOM 1141 C C . ASP B 2 47 ? -1.266 -2.309 5.484 1.00 89.82 47 B 1 ATOM 1142 O O . ASP B 2 47 ? -0.516 -2.051 6.425 1.00 88.66 47 B 1 ATOM 1143 C CB . ASP B 2 47 ? -1.030 -4.803 5.008 1.00 84.70 47 B 1 ATOM 1144 C CG . ASP B 2 47 ? -1.643 -6.193 5.222 1.00 80.78 47 B 1 ATOM 1145 O OD1 . ASP B 2 47 ? -2.441 -6.358 6.185 1.00 76.96 47 B 1 ATOM 1146 O OD2 . ASP B 2 47 ? -1.299 -7.105 4.448 1.00 76.69 47 B 1 ATOM 1147 N N . PHE B 2 48 ? -1.573 -1.394 4.562 1.00 91.21 48 B 1 ATOM 1148 C CA . PHE B 2 48 ? -1.096 -0.009 4.649 1.00 92.67 48 B 1 ATOM 1149 C C . PHE B 2 48 ? -1.530 0.675 5.954 1.00 93.33 48 B 1 ATOM 1150 O O . PHE B 2 48 ? -0.768 1.463 6.499 1.00 92.91 48 B 1 ATOM 1151 C CB . PHE B 2 48 ? -1.591 0.803 3.449 1.00 93.02 48 B 1 ATOM 1152 C CG . PHE B 2 48 ? -1.002 0.395 2.118 1.00 93.69 48 B 1 ATOM 1153 C CD1 . PHE B 2 48 ? 0.390 0.338 1.943 1.00 92.92 48 B 1 ATOM 1154 C CD2 . PHE B 2 48 ? -1.840 0.103 1.031 1.00 93.05 48 B 1 ATOM 1155 C CE1 . PHE B 2 48 ? 0.939 -0.025 0.706 1.00 92.37 48 B 1 ATOM 1156 C CE2 . PHE B 2 48 ? -1.296 -0.258 -0.210 1.00 92.43 48 B 1 ATOM 1157 C CZ . PHE B 2 48 ? 0.095 -0.324 -0.370 1.00 92.72 48 B 1 ATOM 1158 N N . PHE B 2 49 ? -2.700 0.354 6.497 1.00 94.23 49 B 1 ATOM 1159 C CA . PHE B 2 49 ? -3.169 0.903 7.775 1.00 94.80 49 B 1 ATOM 1160 C C . PHE B 2 49 ? -2.491 0.271 8.997 1.00 94.58 49 B 1 ATOM 1161 O O . PHE B 2 49 ? -2.557 0.838 10.087 1.00 93.29 49 B 1 ATOM 1162 C CB . PHE B 2 49 ? -4.683 0.729 7.893 1.00 95.25 49 B 1 ATOM 1163 C CG . PHE B 2 49 ? -5.470 1.475 6.845 1.00 95.65 49 B 1 ATOM 1164 C CD1 . PHE B 2 49 ? -5.428 2.879 6.797 1.00 94.73 49 B 1 ATOM 1165 C CD2 . PHE B 2 49 ? -6.259 0.773 5.923 1.00 94.88 49 B 1 ATOM 1166 C CE1 . PHE B 2 49 ? -6.178 3.577 5.843 1.00 94.25 49 B 1 ATOM 1167 C CE2 . PHE B 2 49 ? -7.013 1.468 4.966 1.00 94.17 49 B 1 ATOM 1168 C CZ . PHE B 2 49 ? -6.975 2.871 4.929 1.00 94.72 49 B 1 ATOM 1169 N N . LYS B 2 50 ? -1.861 -0.883 8.843 1.00 93.26 50 B 1 ATOM 1170 C CA . LYS B 2 50 ? -1.097 -1.547 9.907 1.00 92.24 50 B 1 ATOM 1171 C C . LYS B 2 50 ? 0.359 -1.085 9.935 1.00 91.52 50 B 1 ATOM 1172 O O . LYS B 2 50 ? 1.033 -1.274 10.942 1.00 88.82 50 B 1 ATOM 1173 C CB . LYS B 2 50 ? -1.148 -3.067 9.728 1.00 91.02 50 B 1 ATOM 1174 C CG . LYS B 2 50 ? -2.566 -3.654 9.732 1.00 86.65 50 B 1 ATOM 1175 C CD . LYS B 2 50 ? -2.472 -5.159 9.484 1.00 81.59 50 B 1 ATOM 1176 C CE . LYS B 2 50 ? -3.839 -5.782 9.218 1.00 74.12 50 B 1 ATOM 1177 N NZ . LYS B 2 50 ? -3.678 -7.076 8.513 1.00 66.49 50 B 1 ATOM 1178 N N . ASN B 2 51 ? 0.842 -0.517 8.849 1.00 90.00 51 B 1 ATOM 1179 C CA . ASN B 2 51 ? 2.204 -0.018 8.764 1.00 89.48 51 B 1 ATOM 1180 C C . ASN B 2 51 ? 2.299 1.361 9.437 1.00 89.41 51 B 1 ATOM 1181 O O . ASN B 2 51 ? 2.001 2.385 8.831 1.00 87.14 51 B 1 ATOM 1182 C CB . ASN B 2 51 ? 2.659 -0.017 7.300 1.00 87.98 51 B 1 ATOM 1183 C CG . ASN B 2 51 ? 4.140 0.288 7.169 1.00 86.78 51 B 1 ATOM 1184 O OD1 . ASN B 2 51 ? 4.787 0.802 8.063 1.00 79.54 51 B 1 ATOM 1185 N ND2 . ASN B 2 51 ? 4.721 -0.043 6.040 1.00 78.61 51 B 1 ATOM 1186 N N . GLU B 2 52 ? 2.760 1.372 10.679 1.00 88.65 52 B 1 ATOM 1187 C CA . GLU B 2 52 ? 2.918 2.584 11.492 1.00 87.79 52 B 1 ATOM 1188 C C . GLU B 2 52 ? 3.956 3.565 10.924 1.00 88.76 52 B 1 ATOM 1189 O O . GLU B 2 52 ? 4.031 4.714 11.364 1.00 85.15 52 B 1 ATOM 1190 C CB . GLU B 2 52 ? 3.318 2.199 12.924 1.00 84.53 52 B 1 ATOM 1191 C CG . GLU B 2 52 ? 2.259 1.338 13.632 1.00 74.71 52 B 1 ATOM 1192 C CD . GLU B 2 52 ? 2.615 1.032 15.092 1.00 66.48 52 B 1 ATOM 1193 O OE1 . GLU B 2 52 ? 1.715 0.552 15.812 1.00 60.71 52 B 1 ATOM 1194 O OE2 . GLU B 2 52 ? 3.773 1.278 15.499 1.00 61.36 52 B 1 ATOM 1195 N N . ASN B 2 53 ? 4.730 3.150 9.936 1.00 90.76 53 B 1 ATOM 1196 C CA . ASN B 2 53 ? 5.674 4.034 9.268 1.00 91.59 53 B 1 ATOM 1197 C C . ASN B 2 53 ? 4.979 5.038 8.341 1.00 92.80 53 B 1 ATOM 1198 O O . ASN B 2 53 ? 5.521 6.115 8.118 1.00 91.56 53 B 1 ATOM 1199 C CB . ASN B 2 53 ? 6.717 3.202 8.516 1.00 90.67 53 B 1 ATOM 1200 C CG . ASN B 2 53 ? 7.584 2.388 9.454 1.00 89.34 53 B 1 ATOM 1201 O OD1 . ASN B 2 53 ? 8.025 2.860 10.489 1.00 82.50 53 B 1 ATOM 1202 N ND2 . ASN B 2 53 ? 7.852 1.146 9.117 1.00 81.55 53 B 1 ATOM 1203 N N . TYR B 2 54 ? 3.800 4.726 7.812 1.00 93.24 54 B 1 ATOM 1204 C CA . TYR B 2 54 ? 3.079 5.655 6.944 1.00 94.10 54 B 1 ATOM 1205 C C . TYR B 2 54 ? 2.234 6.633 7.759 1.00 94.37 54 B 1 ATOM 1206 O O . TYR B 2 54 ? 1.604 6.261 8.747 1.00 93.48 54 B 1 ATOM 1207 C CB . TYR B 2 54 ? 2.223 4.890 5.928 1.00 93.73 54 B 1 ATOM 1208 C CG . TYR B 2 54 ? 3.000 3.944 5.031 1.00 94.03 54 B 1 ATOM 1209 C CD1 . TYR B 2 54 ? 4.246 4.317 4.495 1.00 91.94 54 B 1 ATOM 1210 C CD2 . TYR B 2 54 ? 2.482 2.673 4.731 1.00 91.86 54 B 1 ATOM 1211 C CE1 . TYR B 2 54 ? 4.977 3.424 3.694 1.00 90.75 54 B 1 ATOM 1212 C CE2 . TYR B 2 54 ? 3.202 1.775 3.928 1.00 90.99 54 B 1 ATOM 1213 C CZ . TYR B 2 54 ? 4.453 2.155 3.419 1.00 91.83 54 B 1 ATOM 1214 O OH . TYR B 2 54 ? 5.171 1.269 2.659 1.00 89.29 54 B 1 ATOM 1215 N N . SER B 2 55 ? 2.180 7.889 7.323 1.00 94.21 55 B 1 ATOM 1216 C CA . SER B 2 55 ? 1.167 8.814 7.826 1.00 94.39 55 B 1 ATOM 1217 C C . SER B 2 55 ? -0.231 8.302 7.479 1.00 95.09 55 B 1 ATOM 1218 O O . SER B 2 55 ? -0.422 7.539 6.527 1.00 95.14 55 B 1 ATOM 1219 C CB . SER B 2 55 ? 1.373 10.225 7.264 1.00 93.71 55 B 1 ATOM 1220 O OG . SER B 2 55 ? 1.154 10.262 5.874 1.00 90.71 55 B 1 ATOM 1221 N N . LYS B 2 56 ? -1.228 8.747 8.242 1.00 95.94 56 B 1 ATOM 1222 C CA . LYS B 2 56 ? -2.626 8.392 7.972 1.00 96.05 56 B 1 ATOM 1223 C C . LYS B 2 56 ? -3.035 8.746 6.538 1.00 96.66 56 B 1 ATOM 1224 O O . LYS B 2 56 ? -3.643 7.925 5.855 1.00 96.58 56 B 1 ATOM 1225 C CB . LYS B 2 56 ? -3.520 9.088 9.005 1.00 95.36 56 B 1 ATOM 1226 C CG . LYS B 2 56 ? -4.989 8.696 8.819 1.00 83.64 56 B 1 ATOM 1227 C CD . LYS B 2 56 ? -5.886 9.402 9.833 1.00 75.15 56 B 1 ATOM 1228 C CE . LYS B 2 56 ? -7.339 9.059 9.499 1.00 63.69 56 B 1 ATOM 1229 N NZ . LYS B 2 56 ? -8.302 9.803 10.341 1.00 55.87 56 B 1 ATOM 1230 N N . GLU B 2 57 ? -2.660 9.929 6.074 1.00 95.98 57 B 1 ATOM 1231 C CA . GLU B 2 57 ? -2.970 10.397 4.720 1.00 95.90 57 B 1 ATOM 1232 C C . GLU B 2 57 ? -2.330 9.506 3.646 1.00 96.49 57 B 1 ATOM 1233 O O . GLU B 2 57 ? -2.998 9.106 2.691 1.00 96.15 57 B 1 ATOM 1234 C CB . GLU B 2 57 ? -2.492 11.851 4.592 1.00 95.43 57 B 1 ATOM 1235 C CG . GLU B 2 57 ? -2.839 12.462 3.229 1.00 81.51 57 B 1 ATOM 1236 C CD . GLU B 2 57 ? -2.436 13.936 3.108 1.00 71.52 57 B 1 ATOM 1237 O OE1 . GLU B 2 57 ? -2.751 14.523 2.049 1.00 66.31 57 B 1 ATOM 1238 O OE2 . GLU B 2 57 ? -1.842 14.480 4.056 1.00 65.81 57 B 1 ATOM 1239 N N . LEU B 2 58 ? -1.068 9.133 3.825 1.00 95.74 58 B 1 ATOM 1240 C CA . LEU B 2 58 ? -0.361 8.273 2.879 1.00 95.92 58 B 1 ATOM 1241 C C . LEU B 2 58 ? -0.964 6.862 2.849 1.00 96.25 58 B 1 ATOM 1242 O O . LEU B 2 58 ? -1.206 6.319 1.773 1.00 96.42 58 B 1 ATOM 1243 C CB . LEU B 2 58 ? 1.133 8.249 3.239 1.00 95.53 58 B 1 ATOM 1244 C CG . LEU B 2 58 ? 2.012 7.584 2.166 1.00 92.74 58 B 1 ATOM 1245 C CD1 . LEU B 2 58 ? 2.020 8.380 0.860 1.00 91.28 58 B 1 ATOM 1246 C CD2 . LEU B 2 58 ? 3.447 7.475 2.669 1.00 90.99 58 B 1 ATOM 1247 N N . ALA B 2 59 ? -1.257 6.283 4.015 1.00 96.66 59 B 1 ATOM 1248 C CA . ALA B 2 59 ? -1.892 4.968 4.114 1.00 96.33 59 B 1 ATOM 1249 C C . ALA B 2 59 ? -3.279 4.948 3.446 1.00 96.50 59 B 1 ATOM 1250 O O . ALA B 2 59 ? -3.595 4.018 2.705 1.00 96.53 59 B 1 ATOM 1251 C CB . ALA B 2 59 ? -1.979 4.575 5.594 1.00 95.69 59 B 1 ATOM 1252 N N . GLU B 2 60 ? -4.094 5.980 3.658 1.00 97.53 60 B 1 ATOM 1253 C CA . GLU B 2 60 ? -5.405 6.120 3.016 1.00 97.48 60 B 1 ATOM 1254 C C . GLU B 2 60 ? -5.285 6.231 1.491 1.00 97.46 60 B 1 ATOM 1255 O O . GLU B 2 60 ? -6.053 5.599 0.760 1.00 97.28 60 B 1 ATOM 1256 C CB . GLU B 2 60 ? -6.138 7.354 3.559 1.00 97.25 60 B 1 ATOM 1257 C CG . GLU B 2 60 ? -6.724 7.133 4.963 1.00 87.10 60 B 1 ATOM 1258 C CD . GLU B 2 60 ? -7.445 8.367 5.531 1.00 79.27 60 B 1 ATOM 1259 O OE1 . GLU B 2 60 ? -7.891 8.295 6.701 1.00 74.98 60 B 1 ATOM 1260 O OE2 . GLU B 2 60 ? -7.589 9.383 4.817 1.00 74.90 60 B 1 ATOM 1261 N N . LYS B 2 61 ? -4.314 6.992 1.008 1.00 96.77 61 B 1 ATOM 1262 C CA . LYS B 2 61 ? -4.065 7.150 -0.425 1.00 96.39 61 B 1 ATOM 1263 C C . LYS B 2 61 ? -3.640 5.833 -1.073 1.00 96.67 61 B 1 ATOM 1264 O O . LYS B 2 61 ? -4.243 5.410 -2.059 1.00 96.30 61 B 1 ATOM 1265 C CB . LYS B 2 61 ? -3.019 8.252 -0.612 1.00 95.64 61 B 1 ATOM 1266 C CG . LYS B 2 61 ? -2.836 8.613 -2.089 1.00 87.32 61 B 1 ATOM 1267 C CD . LYS B 2 61 ? -1.822 9.748 -2.199 1.00 84.61 61 B 1 ATOM 1268 C CE . LYS B 2 61 ? -1.713 10.209 -3.645 1.00 73.30 61 B 1 ATOM 1269 N NZ . LYS B 2 61 ? -0.698 11.275 -3.766 1.00 67.55 61 B 1 ATOM 1270 N N . PHE B 2 62 ? -2.656 5.154 -0.487 1.00 96.28 62 B 1 ATOM 1271 C CA . PHE B 2 62 ? -2.184 3.858 -0.971 1.00 96.33 62 B 1 ATOM 1272 C C . PHE B 2 62 ? -3.292 2.802 -0.957 1.00 96.47 62 B 1 ATOM 1273 O O . PHE B 2 62 ? -3.468 2.085 -1.939 1.00 96.35 62 B 1 ATOM 1274 C CB . PHE B 2 62 ? -0.999 3.397 -0.121 1.00 96.08 62 B 1 ATOM 1275 C CG . PHE B 2 62 ? 0.309 4.143 -0.312 1.00 96.04 62 B 1 ATOM 1276 C CD1 . PHE B 2 62 ? 0.474 5.168 -1.256 1.00 94.21 62 B 1 ATOM 1277 C CD2 . PHE B 2 62 ? 1.415 3.752 0.464 1.00 93.74 62 B 1 ATOM 1278 C CE1 . PHE B 2 62 ? 1.716 5.791 -1.432 1.00 92.80 62 B 1 ATOM 1279 C CE2 . PHE B 2 62 ? 2.660 4.369 0.295 1.00 92.59 62 B 1 ATOM 1280 C CZ . PHE B 2 62 ? 2.811 5.386 -0.658 1.00 93.47 62 B 1 ATOM 1281 N N . ASN B 2 63 ? -4.069 2.744 0.119 1.00 97.35 63 B 1 ATOM 1282 C CA . ASN B 2 63 ? -5.205 1.832 0.204 1.00 97.22 63 B 1 ATOM 1283 C C . ASN B 2 63 ? -6.196 2.067 -0.941 1.00 97.19 63 B 1 ATOM 1284 O O . ASN B 2 63 ? -6.527 1.125 -1.660 1.00 97.08 63 B 1 ATOM 1285 C CB . ASN B 2 63 ? -5.885 1.991 1.568 1.00 96.91 63 B 1 ATOM 1286 C CG . ASN B 2 63 ? -7.166 1.187 1.646 1.00 95.86 63 B 1 ATOM 1287 O OD1 . ASN B 2 63 ? -8.253 1.693 1.423 1.00 88.51 63 B 1 ATOM 1288 N ND2 . ASN B 2 63 ? -7.073 -0.089 1.937 1.00 88.08 63 B 1 ATOM 1289 N N . LYS B 2 64 ? -6.652 3.300 -1.137 1.00 97.60 64 B 1 ATOM 1290 C CA . LYS B 2 64 ? -7.635 3.628 -2.178 1.00 97.57 64 B 1 ATOM 1291 C C . LYS B 2 64 ? -7.135 3.258 -3.574 1.00 97.64 64 B 1 ATOM 1292 O O . LYS B 2 64 ? -7.865 2.629 -4.335 1.00 97.43 64 B 1 ATOM 1293 C CB . LYS B 2 64 ? -7.983 5.121 -2.117 1.00 97.12 64 B 1 ATOM 1294 C CG . LYS B 2 64 ? -8.881 5.460 -0.915 1.00 88.07 64 B 1 ATOM 1295 C CD . LYS B 2 64 ? -9.064 6.972 -0.792 1.00 83.44 64 B 1 ATOM 1296 C CE . LYS B 2 64 ? -9.890 7.300 0.452 1.00 70.71 64 B 1 ATOM 1297 N NZ . LYS B 2 64 ? -9.971 8.763 0.689 1.00 62.02 64 B 1 ATOM 1298 N N . GLU B 2 65 ? -5.898 3.604 -3.893 1.00 97.48 65 B 1 ATOM 1299 C CA . GLU B 2 65 ? -5.331 3.339 -5.215 1.00 97.24 65 B 1 ATOM 1300 C C . GLU B 2 65 ? -5.101 1.842 -5.464 1.00 97.41 65 B 1 ATOM 1301 O O . GLU B 2 65 ? -5.454 1.331 -6.528 1.00 96.97 65 B 1 ATOM 1302 C CB . GLU B 2 65 ? -4.048 4.155 -5.390 1.00 96.69 65 B 1 ATOM 1303 C CG . GLU B 2 65 ? -4.360 5.656 -5.462 1.00 89.70 65 B 1 ATOM 1304 C CD . GLU B 2 65 ? -3.136 6.543 -5.692 1.00 80.95 65 B 1 ATOM 1305 O OE1 . GLU B 2 65 ? -3.233 7.761 -5.432 1.00 75.55 65 B 1 ATOM 1306 O OE2 . GLU B 2 65 ? -2.116 6.076 -6.215 1.00 74.20 65 B 1 ATOM 1307 N N . ALA B 2 66 ? -4.595 1.111 -4.467 1.00 96.93 66 B 1 ATOM 1308 C CA . ALA B 2 66 ? -4.415 -0.336 -4.575 1.00 96.68 66 B 1 ATOM 1309 C C . ALA B 2 66 ? -5.757 -1.082 -4.671 1.00 97.03 66 B 1 ATOM 1310 O O . ALA B 2 66 ? -5.885 -2.019 -5.457 1.00 96.94 66 B 1 ATOM 1311 C CB . ALA B 2 66 ? -3.586 -0.821 -3.383 1.00 95.95 66 B 1 ATOM 1312 N N . VAL B 2 67 ? -6.774 -0.663 -3.916 1.00 97.53 67 B 1 ATOM 1313 C CA . VAL B 2 67 ? -8.130 -1.230 -3.997 1.00 97.73 67 B 1 ATOM 1314 C C . VAL B 2 67 ? -8.744 -0.980 -5.374 1.00 97.88 67 B 1 ATOM 1315 O O . VAL B 2 67 ? -9.292 -1.910 -5.960 1.00 97.93 67 B 1 ATOM 1316 C CB . VAL B 2 67 ? -9.035 -0.681 -2.874 1.00 97.37 67 B 1 ATOM 1317 C CG1 . VAL B 2 67 ? -10.523 -0.978 -3.108 1.00 95.91 67 B 1 ATOM 1318 C CG2 . VAL B 2 67 ? -8.650 -1.308 -1.531 1.00 96.15 67 B 1 ATOM 1319 N N . ASN B 2 68 ? -8.630 0.226 -5.908 1.00 97.71 68 B 1 ATOM 1320 C CA . ASN B 2 68 ? -9.176 0.549 -7.230 1.00 97.63 68 B 1 ATOM 1321 C C . ASN B 2 68 ? -8.568 -0.335 -8.323 1.00 97.75 68 B 1 ATOM 1322 O O . ASN B 2 68 ? -9.301 -0.937 -9.105 1.00 97.51 68 B 1 ATOM 1323 C CB . ASN B 2 68 ? -8.959 2.040 -7.526 1.00 97.23 68 B 1 ATOM 1324 C CG . ASN B 2 68 ? -9.860 2.962 -6.716 1.00 91.17 68 B 1 ATOM 1325 O OD1 . ASN B 2 68 ? -10.830 2.569 -6.098 1.00 84.45 68 B 1 ATOM 1326 N ND2 . ASN B 2 68 ? -9.563 4.245 -6.731 1.00 83.96 68 B 1 ATOM 1327 N N . GLU B 2 69 ? -7.251 -0.488 -8.338 1.00 97.09 69 B 1 ATOM 1328 C CA . GLU B 2 69 ? -6.583 -1.354 -9.317 1.00 96.78 69 B 1 ATOM 1329 C C . GLU B 2 69 ? -6.947 -2.840 -9.126 1.00 97.07 69 B 1 ATOM 1330 O O . GLU B 2 69 ? -7.137 -3.566 -10.102 1.00 96.88 69 B 1 ATOM 1331 C CB . GLU B 2 69 ? -5.065 -1.132 -9.248 1.00 95.85 69 B 1 ATOM 1332 C CG . GLU B 2 69 ? -4.355 -1.841 -10.406 1.00 92.32 69 B 1 ATOM 1333 C CD . GLU B 2 69 ? -2.854 -1.578 -10.442 1.00 91.46 69 B 1 ATOM 1334 O OE1 . GLU B 2 69 ? -2.092 -2.447 -9.981 1.00 86.76 69 B 1 ATOM 1335 O OE2 . GLU B 2 69 ? -2.449 -0.528 -10.969 1.00 86.34 69 B 1 ATOM 1336 N N . ALA B 2 70 ? -7.107 -3.305 -7.887 1.00 97.48 70 B 1 ATOM 1337 C CA . ALA B 2 70 ? -7.553 -4.673 -7.611 1.00 97.51 70 B 1 ATOM 1338 C C . ALA B 2 70 ? -8.978 -4.929 -8.130 1.00 97.80 70 B 1 ATOM 1339 O O . ALA B 2 70 ? -9.244 -5.976 -8.720 1.00 97.91 70 B 1 ATOM 1340 C CB . ALA B 2 70 ? -7.462 -4.933 -6.103 1.00 97.25 70 B 1 ATOM 1341 N N . VAL B 2 71 ? -9.885 -3.968 -7.947 1.00 98.08 71 B 1 ATOM 1342 C CA . VAL B 2 71 ? -11.256 -4.037 -8.474 1.00 98.22 71 B 1 ATOM 1343 C C . VAL B 2 71 ? -11.245 -4.120 -10.003 1.00 98.26 71 B 1 ATOM 1344 O O . VAL B 2 71 ? -11.922 -4.982 -10.564 1.00 98.24 71 B 1 ATOM 1345 C CB . VAL B 2 71 ? -12.089 -2.837 -7.978 1.00 98.02 71 B 1 ATOM 1346 C CG1 . VAL B 2 71 ? -13.415 -2.680 -8.730 1.00 97.04 71 B 1 ATOM 1347 C CG2 . VAL B 2 71 ? -12.425 -3.002 -6.487 1.00 97.22 71 B 1 ATOM 1348 N N . GLU B 2 72 ? -10.448 -3.310 -10.680 1.00 98.05 72 B 1 ATOM 1349 C CA . GLU B 2 72 ? -10.303 -3.347 -12.142 1.00 97.81 72 B 1 ATOM 1350 C C . GLU B 2 72 ? -9.760 -4.695 -12.637 1.00 97.93 72 B 1 ATOM 1351 O O . GLU B 2 72 ? -10.269 -5.255 -13.611 1.00 97.73 72 B 1 ATOM 1352 C CB . GLU B 2 72 ? -9.369 -2.220 -12.596 1.00 97.26 72 B 1 ATOM 1353 C CG . GLU B 2 72 ? -10.008 -0.832 -12.467 1.00 90.39 72 B 1 ATOM 1354 C CD . GLU B 2 72 ? -9.041 0.310 -12.817 1.00 83.67 72 B 1 ATOM 1355 O OE1 . GLU B 2 72 ? -9.474 1.476 -12.704 1.00 79.86 72 B 1 ATOM 1356 O OE2 . GLU B 2 72 ? -7.889 0.024 -13.215 1.00 79.76 72 B 1 ATOM 1357 N N . LYS B 2 73 ? -8.773 -5.263 -11.948 1.00 97.53 73 B 1 ATOM 1358 C CA . LYS B 2 73 ? -8.222 -6.585 -12.278 1.00 97.27 73 B 1 ATOM 1359 C C . LYS B 2 73 ? -9.251 -7.697 -12.112 1.00 97.66 73 B 1 ATOM 1360 O O . LYS B 2 73 ? -9.377 -8.541 -13.001 1.00 97.46 73 B 1 ATOM 1361 C CB . LYS B 2 73 ? -6.999 -6.880 -11.407 1.00 95.87 73 B 1 ATOM 1362 C CG . LYS B 2 73 ? -5.767 -6.105 -11.868 1.00 88.23 73 B 1 ATOM 1363 C CD . LYS B 2 73 ? -4.616 -6.361 -10.898 1.00 89.24 73 B 1 ATOM 1364 C CE . LYS B 2 73 ? -3.379 -5.617 -11.386 1.00 84.64 73 B 1 ATOM 1365 N NZ . LYS B 2 73 ? -2.267 -5.772 -10.433 1.00 82.02 73 B 1 ATOM 1366 N N . LEU B 2 74 ? -9.986 -7.709 -10.999 1.00 97.93 74 B 1 ATOM 1367 C CA . LEU B 2 74 ? -11.031 -8.712 -10.789 1.00 98.03 74 B 1 ATOM 1368 C C . LEU B 2 74 ? -12.150 -8.555 -11.819 1.00 98.12 74 B 1 ATOM 1369 O O . LEU B 2 74 ? -12.573 -9.552 -12.397 1.00 98.21 74 B 1 ATOM 1370 C CB . LEU B 2 74 ? -11.567 -8.653 -9.350 1.00 97.94 74 B 1 ATOM 1371 C CG . LEU B 2 74 ? -12.564 -9.793 -9.034 1.00 97.45 74 B 1 ATOM 1372 C CD1 . LEU B 2 74 ? -11.917 -11.176 -9.098 1.00 96.62 74 B 1 ATOM 1373 C CD2 . LEU B 2 74 ? -13.150 -9.610 -7.638 1.00 96.37 74 B 1 ATOM 1374 N N . GLN B 2 75 ? -12.575 -7.325 -12.110 1.00 98.32 75 B 1 ATOM 1375 C CA . GLN B 2 75 ? -13.577 -7.053 -13.145 1.00 98.31 75 B 1 ATOM 1376 C C . GLN B 2 75 ? -13.149 -7.640 -14.490 1.00 98.28 75 B 1 ATOM 1377 O O . GLN B 2 75 ? -13.915 -8.369 -15.114 1.00 98.19 75 B 1 ATOM 1378 C CB . GLN B 2 75 ? -13.807 -5.536 -13.258 1.00 98.14 75 B 1 ATOM 1379 C CG . GLN B 2 75 ? -14.948 -5.184 -14.223 1.00 97.07 75 B 1 ATOM 1380 C CD . GLN B 2 75 ? -16.309 -5.616 -13.675 1.00 97.89 75 B 1 ATOM 1381 O OE1 . GLN B 2 75 ? -16.811 -5.025 -12.736 1.00 92.87 75 B 1 ATOM 1382 N NE2 . GLN B 2 75 ? -16.918 -6.645 -14.215 1.00 91.46 75 B 1 ATOM 1383 N N . LYS B 2 76 ? -11.904 -7.396 -14.899 1.00 98.20 76 B 1 ATOM 1384 C CA . LYS B 2 76 ? -11.362 -7.942 -16.145 1.00 98.15 76 B 1 ATOM 1385 C C . LYS B 2 76 ? -11.358 -9.473 -16.155 1.00 98.17 76 B 1 ATOM 1386 O O . LYS B 2 76 ? -11.725 -10.074 -17.164 1.00 97.92 76 B 1 ATOM 1387 C CB . LYS B 2 76 ? -9.962 -7.361 -16.364 1.00 97.90 76 B 1 ATOM 1388 C CG . LYS B 2 76 ? -9.366 -7.768 -17.716 1.00 90.44 76 B 1 ATOM 1389 C CD . LYS B 2 76 ? -8.003 -7.108 -17.913 1.00 86.88 76 B 1 ATOM 1390 C CE . LYS B 2 76 ? -7.412 -7.505 -19.264 1.00 75.06 76 B 1 ATOM 1391 N NZ . LYS B 2 76 ? -6.086 -6.873 -19.478 1.00 68.34 76 B 1 ATOM 1392 N N . ALA B 2 77 ? -10.962 -10.113 -15.054 1.00 98.15 77 B 1 ATOM 1393 C CA . ALA B 2 77 ? -10.967 -11.575 -14.941 1.00 98.03 77 B 1 ATOM 1394 C C . ALA B 2 77 ? -12.387 -12.150 -15.051 1.00 98.04 77 B 1 ATOM 1395 O O . ALA B 2 77 ? -12.610 -13.105 -15.799 1.00 97.93 77 B 1 ATOM 1396 C CB . ALA B 2 77 ? -10.303 -11.977 -13.620 1.00 97.90 77 B 1 ATOM 1397 N N . ILE B 2 78 ? -13.346 -11.553 -14.346 1.00 98.13 78 B 1 ATOM 1398 C CA . ILE B 2 78 ? -14.759 -11.955 -14.375 1.00 97.96 78 B 1 ATOM 1399 C C . ILE B 2 78 ? -15.344 -11.774 -15.779 1.00 98.00 78 B 1 ATOM 1400 O O . ILE B 2 78 ? -15.883 -12.727 -16.328 1.00 97.87 78 B 1 ATOM 1401 C CB . ILE B 2 78 ? -15.560 -11.192 -13.294 1.00 97.43 78 B 1 ATOM 1402 C CG1 . ILE B 2 78 ? -15.114 -11.572 -11.861 1.00 95.24 78 B 1 ATOM 1403 C CG2 . ILE B 2 78 ? -17.073 -11.396 -13.448 1.00 95.77 78 B 1 ATOM 1404 C CD1 . ILE B 2 78 ? -15.288 -13.033 -11.453 1.00 88.77 78 B 1 ATOM 1405 N N . ASP B 2 79 ? -15.163 -10.612 -16.395 1.00 98.16 79 B 1 ATOM 1406 C CA . ASP B 2 79 ? -15.689 -10.324 -17.736 1.00 98.17 79 B 1 ATOM 1407 C C . ASP B 2 79 ? -15.150 -11.306 -18.791 1.00 98.15 79 B 1 ATOM 1408 O O . ASP B 2 79 ? -15.890 -11.780 -19.654 1.00 97.94 79 B 1 ATOM 1409 C CB . ASP B 2 79 ? -15.309 -8.894 -18.157 1.00 98.11 79 B 1 ATOM 1410 C CG . ASP B 2 79 ? -15.970 -7.763 -17.366 1.00 96.82 79 B 1 ATOM 1411 O OD1 . ASP B 2 79 ? -16.893 -8.017 -16.574 1.00 93.48 79 B 1 ATOM 1412 O OD2 . ASP B 2 79 ? -15.533 -6.608 -17.577 1.00 93.84 79 B 1 ATOM 1413 N N . LEU B 2 80 ? -13.856 -11.642 -18.722 1.00 97.83 80 B 1 ATOM 1414 C CA . LEU B 2 80 ? -13.242 -12.609 -19.635 1.00 97.60 80 B 1 ATOM 1415 C C . LEU B 2 80 ? -13.810 -14.019 -19.441 1.00 97.53 80 B 1 ATOM 1416 O O . LEU B 2 80 ? -14.064 -14.714 -20.426 1.00 97.26 80 B 1 ATOM 1417 C CB . LEU B 2 80 ? -11.720 -12.619 -19.437 1.00 97.51 80 B 1 ATOM 1418 C CG . LEU B 2 80 ? -10.980 -11.388 -19.992 1.00 96.36 80 B 1 ATOM 1419 C CD1 . LEU B 2 80 ? -9.524 -11.431 -19.527 1.00 95.23 80 B 1 ATOM 1420 C CD2 . LEU B 2 80 ? -10.996 -11.345 -21.516 1.00 95.02 80 B 1 ATOM 1421 N N . ALA B 2 81 ? -14.023 -14.445 -18.204 1.00 97.70 81 B 1 ATOM 1422 C CA . ALA B 2 81 ? -14.582 -15.762 -17.902 1.00 97.53 81 B 1 ATOM 1423 C C . ALA B 2 81 ? -16.074 -15.853 -18.269 1.00 97.45 81 B 1 ATOM 1424 O O . ALA B 2 81 ? -16.503 -16.856 -18.841 1.00 97.36 81 B 1 ATOM 1425 C CB . ALA B 2 81 ? -14.332 -16.067 -16.425 1.00 97.45 81 B 1 ATOM 1426 N N . GLU B 2 82 ? -16.857 -14.804 -18.015 1.00 97.86 82 B 1 ATOM 1427 C CA . GLU B 2 82 ? -18.271 -14.724 -18.413 1.00 97.62 82 B 1 ATOM 1428 C C . GLU B 2 82 ? -18.437 -14.808 -19.939 1.00 97.36 82 B 1 ATOM 1429 O O . GLU B 2 82 ? -19.315 -15.524 -20.422 1.00 96.81 82 B 1 ATOM 1430 C CB . GLU B 2 82 ? -18.903 -13.432 -17.875 1.00 97.50 82 B 1 ATOM 1431 C CG . GLU B 2 82 ? -19.133 -13.483 -16.357 1.00 96.52 82 B 1 ATOM 1432 C CD . GLU B 2 82 ? -19.771 -12.209 -15.788 1.00 96.25 82 B 1 ATOM 1433 O OE1 . GLU B 2 82 ? -20.389 -12.302 -14.703 1.00 93.08 82 B 1 ATOM 1434 O OE2 . GLU B 2 82 ? -19.660 -11.134 -16.417 1.00 93.07 82 B 1 ATOM 1435 N N . LYS B 2 83 ? -17.546 -14.184 -20.715 1.00 97.21 83 B 1 ATOM 1436 C CA . LYS B 2 83 ? -17.512 -14.329 -22.184 1.00 96.88 83 B 1 ATOM 1437 C C . LYS B 2 83 ? -17.272 -15.769 -22.645 1.00 96.45 83 B 1 ATOM 1438 O O . LYS B 2 83 ? -17.654 -16.114 -23.760 1.00 95.02 83 B 1 ATOM 1439 C CB . LYS B 2 83 ? -16.429 -13.419 -22.771 1.00 96.37 83 B 1 ATOM 1440 C CG . LYS B 2 83 ? -16.849 -11.946 -22.779 1.00 87.05 83 B 1 ATOM 1441 C CD . LYS B 2 83 ? -15.674 -11.068 -23.208 1.00 83.74 83 B 1 ATOM 1442 C CE . LYS B 2 83 ? -16.087 -9.598 -23.132 1.00 72.21 83 B 1 ATOM 1443 N NZ . LYS B 2 83 ? -14.970 -8.702 -23.514 1.00 65.38 83 B 1 ATOM 1444 N N . GLN B 2 84 ? -16.656 -16.604 -21.820 1.00 96.83 84 B 1 ATOM 1445 C CA . GLN B 2 84 ? -16.461 -18.038 -22.067 1.00 96.41 84 B 1 ATOM 1446 C C . GLN B 2 84 ? -17.582 -18.902 -21.462 1.00 96.30 84 B 1 ATOM 1447 O O . GLN B 2 84 ? -17.479 -20.126 -21.457 1.00 94.73 84 B 1 ATOM 1448 C CB . GLN B 2 84 ? -15.080 -18.472 -21.555 1.00 95.84 84 B 1 ATOM 1449 C CG . GLN B 2 84 ? -13.913 -17.707 -22.193 1.00 93.73 84 B 1 ATOM 1450 C CD . GLN B 2 84 ? -13.862 -17.848 -23.709 1.00 91.22 84 B 1 ATOM 1451 O OE1 . GLN B 2 84 ? -13.850 -18.940 -24.254 1.00 80.86 84 B 1 ATOM 1452 N NE2 . GLN B 2 84 ? -13.829 -16.747 -24.426 1.00 78.92 84 B 1 ATOM 1453 N N . GLY B 2 85 ? -18.649 -18.290 -20.959 1.00 96.25 85 B 1 ATOM 1454 C CA . GLY B 2 85 ? -19.830 -18.980 -20.434 1.00 95.93 85 B 1 ATOM 1455 C C . GLY B 2 85 ? -19.728 -19.423 -18.974 1.00 96.40 85 B 1 ATOM 1456 O O . GLY B 2 85 ? -20.559 -20.216 -18.527 1.00 95.20 85 B 1 ATOM 1457 N N . ILE B 2 86 ? -18.746 -18.933 -18.217 1.00 96.96 86 B 1 ATOM 1458 C CA . ILE B 2 86 ? -18.649 -19.217 -16.778 1.00 96.98 86 B 1 ATOM 1459 C C . ILE B 2 86 ? -19.626 -18.323 -16.019 1.00 96.81 86 B 1 ATOM 1460 O O . ILE B 2 86 ? -19.639 -17.107 -16.198 1.00 95.97 86 B 1 ATOM 1461 C CB . ILE B 2 86 ? -17.213 -19.052 -16.256 1.00 96.71 86 B 1 ATOM 1462 C CG1 . ILE B 2 86 ? -16.207 -19.936 -17.023 1.00 94.79 86 B 1 ATOM 1463 C CG2 . ILE B 2 86 ? -17.132 -19.345 -14.748 1.00 95.33 86 B 1 ATOM 1464 C CD1 . ILE B 2 86 ? -16.481 -21.442 -16.969 1.00 86.95 86 B 1 ATOM 1465 N N . GLN B 2 87 ? -20.416 -18.929 -15.140 1.00 96.21 87 B 1 ATOM 1466 C CA . GLN B 2 87 ? -21.331 -18.218 -14.255 1.00 95.74 87 B 1 ATOM 1467 C C . GLN B 2 87 ? -20.775 -18.199 -12.829 1.00 95.44 87 B 1 ATOM 1468 O O . GLN B 2 87 ? -20.486 -19.247 -12.253 1.00 94.13 87 B 1 ATOM 1469 C CB . GLN B 2 87 ? -22.717 -18.868 -14.325 1.00 94.81 87 B 1 ATOM 1470 C CG . GLN B 2 87 ? -23.762 -18.077 -13.528 1.00 86.49 87 B 1 ATOM 1471 C CD . GLN B 2 87 ? -25.158 -18.698 -13.601 1.00 80.39 87 B 1 ATOM 1472 O OE1 . GLN B 2 87 ? -25.386 -19.751 -14.168 1.00 72.03 87 B 1 ATOM 1473 N NE2 . GLN B 2 87 ? -26.140 -18.052 -13.009 1.00 68.39 87 B 1 ATOM 1474 N N . PHE B 2 88 ? -20.670 -17.018 -12.242 1.00 95.33 88 B 1 ATOM 1475 C CA . PHE B 2 88 ? -20.186 -16.822 -10.878 1.00 94.82 88 B 1 ATOM 1476 C C . PHE B 2 88 ? -21.334 -16.600 -9.896 1.00 93.97 88 B 1 ATOM 1477 O O . PHE B 2 88 ? -22.410 -16.135 -10.267 1.00 91.58 88 B 1 ATOM 1478 C CB . PHE B 2 88 ? -19.189 -15.665 -10.847 1.00 94.73 88 B 1 ATOM 1479 C CG . PHE B 2 88 ? -17.971 -15.912 -11.704 1.00 95.97 88 B 1 ATOM 1480 C CD1 . PHE B 2 88 ? -16.953 -16.763 -11.250 1.00 95.37 88 B 1 ATOM 1481 C CD2 . PHE B 2 88 ? -17.858 -15.313 -12.967 1.00 95.70 88 B 1 ATOM 1482 C CE1 . PHE B 2 88 ? -15.826 -17.006 -12.043 1.00 95.31 88 B 1 ATOM 1483 C CE2 . PHE B 2 88 ? -16.734 -15.552 -13.768 1.00 95.40 88 B 1 ATOM 1484 C CZ . PHE B 2 88 ? -15.716 -16.400 -13.302 1.00 96.05 88 B 1 ATOM 1485 N N . LEU B 2 89 ? -21.079 -16.926 -8.633 1.00 91.97 89 B 1 ATOM 1486 C CA . LEU B 2 89 ? -21.962 -16.584 -7.519 1.00 90.86 89 B 1 ATOM 1487 C C . LEU B 2 89 ? -21.467 -15.290 -6.861 1.00 90.26 89 B 1 ATOM 1488 O O . LEU B 2 89 ? -20.267 -15.099 -6.682 1.00 88.12 89 B 1 ATOM 1489 C CB . LEU B 2 89 ? -22.003 -17.737 -6.507 1.00 88.09 89 B 1 ATOM 1490 C CG . LEU B 2 89 ? -22.534 -19.072 -7.064 1.00 80.39 89 B 1 ATOM 1491 C CD1 . LEU B 2 89 ? -22.414 -20.160 -6.004 1.00 75.56 89 B 1 ATOM 1492 C CD2 . LEU B 2 89 ? -23.999 -18.968 -7.500 1.00 73.69 89 B 1 ATOM 1493 N N . GLU B 2 90 ? -22.394 -14.419 -6.465 1.00 89.78 90 B 1 ATOM 1494 C CA . GLU B 2 90 ? -22.064 -13.212 -5.691 1.00 88.20 90 B 1 ATOM 1495 C C . GLU B 2 90 ? -21.779 -13.531 -4.221 1.00 85.29 90 B 1 ATOM 1496 O O . GLU B 2 90 ? -21.003 -12.836 -3.570 1.00 79.42 90 B 1 ATOM 1497 C CB . GLU B 2 90 ? -23.212 -12.199 -5.767 1.00 84.73 90 B 1 ATOM 1498 C CG . GLU B 2 90 ? -23.323 -11.555 -7.149 1.00 74.66 90 B 1 ATOM 1499 C CD . GLU B 2 90 ? -24.307 -10.383 -7.193 1.00 73.24 90 B 1 ATOM 1500 O OE1 . GLU B 2 90 ? -24.938 -10.197 -8.254 1.00 66.41 90 B 1 ATOM 1501 O OE2 . GLU B 2 90 ? -24.405 -9.648 -6.187 1.00 68.54 90 B 1 ATOM 1502 N N . HIS B 2 91 ? -22.385 -14.593 -3.709 1.00 79.35 91 B 1 ATOM 1503 C CA . HIS B 2 91 ? -22.269 -14.996 -2.313 1.00 74.20 91 B 1 ATOM 1504 C C . HIS B 2 91 ? -21.772 -16.435 -2.231 1.00 71.01 91 B 1 ATOM 1505 O O . HIS B 2 91 ? -22.335 -17.336 -2.847 1.00 63.64 91 B 1 ATOM 1506 C CB . HIS B 2 91 ? -23.618 -14.817 -1.612 1.00 66.94 91 B 1 ATOM 1507 C CG . HIS B 2 91 ? -24.138 -13.407 -1.704 1.00 56.40 91 B 1 ATOM 1508 N ND1 . HIS B 2 91 ? -23.594 -12.306 -1.084 1.00 49.12 91 B 1 ATOM 1509 C CD2 . HIS B 2 91 ? -25.186 -12.954 -2.468 1.00 47.22 91 B 1 ATOM 1510 C CE1 . HIS B 2 91 ? -24.298 -11.221 -1.454 1.00 43.59 91 B 1 ATOM 1511 N NE2 . HIS B 2 91 ? -25.273 -11.579 -2.291 1.00 43.96 91 B 1 ATOM 1512 N N . HIS B 2 92 ? -20.730 -16.657 -1.430 1.00 66.43 92 B 1 ATOM 1513 C CA . HIS B 2 92 ? -20.183 -17.999 -1.218 1.00 63.08 92 B 1 ATOM 1514 C C . HIS B 2 92 ? -21.155 -18.904 -0.452 1.00 60.68 92 B 1 ATOM 1515 O O . HIS B 2 92 ? -21.267 -20.095 -0.754 1.00 54.99 92 B 1 ATOM 1516 C CB . HIS B 2 92 ? -18.844 -17.871 -0.478 1.00 57.21 92 B 1 ATOM 1517 C CG . HIS B 2 92 ? -18.129 -19.184 -0.351 1.00 51.81 92 B 1 ATOM 1518 N ND1 . HIS B 2 92 ? -17.728 -19.983 -1.400 1.00 47.74 92 B 1 ATOM 1519 C CD2 . HIS B 2 92 ? -17.763 -19.829 0.798 1.00 44.35 92 B 1 ATOM 1520 C CE1 . HIS B 2 92 ? -17.134 -21.073 -0.898 1.00 43.85 92 B 1 ATOM 1521 N NE2 . HIS B 2 92 ? -17.133 -21.013 0.436 1.00 43.89 92 B 1 ATOM 1522 N N . HIS B 2 93 ? -21.876 -18.332 0.510 1.00 61.69 93 B 1 ATOM 1523 C CA . HIS B 2 93 ? -22.924 -19.025 1.261 1.00 60.22 93 B 1 ATOM 1524 C C . HIS B 2 93 ? -24.299 -18.477 0.875 1.00 58.23 93 B 1 ATOM 1525 O O . HIS B 2 93 ? -24.453 -17.282 0.614 1.00 53.33 93 B 1 ATOM 1526 C CB . HIS B 2 93 ? -22.669 -18.889 2.766 1.00 55.72 93 B 1 ATOM 1527 C CG . HIS B 2 93 ? -21.354 -19.485 3.185 1.00 50.40 93 B 1 ATOM 1528 N ND1 . HIS B 2 93 ? -20.189 -18.789 3.382 1.00 45.97 93 B 1 ATOM 1529 C CD2 . HIS B 2 93 ? -21.067 -20.805 3.414 1.00 43.01 93 B 1 ATOM 1530 C CE1 . HIS B 2 93 ? -19.223 -19.660 3.719 1.00 40.73 93 B 1 ATOM 1531 N NE2 . HIS B 2 93 ? -19.723 -20.900 3.751 1.00 40.85 93 B 1 ATOM 1532 N N . HIS B 2 94 ? -25.298 -19.360 0.855 1.00 55.42 94 B 1 ATOM 1533 C CA . HIS B 2 94 ? -26.676 -18.947 0.620 1.00 55.35 94 B 1 ATOM 1534 C C . HIS B 2 94 ? -27.187 -18.080 1.772 1.00 53.83 94 B 1 ATOM 1535 O O . HIS B 2 94 ? -26.878 -18.325 2.938 1.00 49.44 94 B 1 ATOM 1536 C CB . HIS B 2 94 ? -27.569 -20.176 0.412 1.00 51.91 94 B 1 ATOM 1537 C CG . HIS B 2 94 ? -27.236 -20.919 -0.853 1.00 46.80 94 B 1 ATOM 1538 N ND1 . HIS B 2 94 ? -27.412 -20.447 -2.136 1.00 42.81 94 B 1 ATOM 1539 C CD2 . HIS B 2 94 ? -26.702 -22.176 -0.968 1.00 40.05 94 B 1 ATOM 1540 C CE1 . HIS B 2 94 ? -26.996 -21.392 -2.995 1.00 38.51 94 B 1 ATOM 1541 N NE2 . HIS B 2 94 ? -26.559 -22.458 -2.323 1.00 39.14 94 B 1 ATOM 1542 N N . HIS B 2 95 ? -28.001 -17.082 1.430 1.00 51.08 95 B 1 ATOM 1543 C CA . HIS B 2 95 ? -28.789 -16.365 2.428 1.00 52.23 95 B 1 ATOM 1544 C C . HIS B 2 95 ? -29.852 -17.306 3.009 1.00 51.24 95 B 1 ATOM 1545 O O . HIS B 2 95 ? -30.380 -18.166 2.306 1.00 47.45 95 B 1 ATOM 1546 C CB . HIS B 2 95 ? -29.416 -15.116 1.802 1.00 49.52 95 B 1 ATOM 1547 C CG . HIS B 2 95 ? -28.383 -14.104 1.376 1.00 45.57 95 B 1 ATOM 1548 N ND1 . HIS B 2 95 ? -27.565 -13.386 2.226 1.00 41.61 95 B 1 ATOM 1549 C CD2 . HIS B 2 95 ? -28.075 -13.720 0.098 1.00 39.04 95 B 1 ATOM 1550 C CE1 . HIS B 2 95 ? -26.787 -12.591 1.475 1.00 38.30 95 B 1 ATOM 1551 N NE2 . HIS B 2 95 ? -27.069 -12.761 0.181 1.00 38.55 95 B 1 ATOM 1552 N N . HIS B 2 96 ? -30.134 -17.142 4.282 1.00 52.80 96 B 1 ATOM 1553 C CA . HIS B 2 96 ? -31.147 -17.909 5.007 1.00 53.59 96 B 1 ATOM 1554 C C . HIS B 2 96 ? -32.095 -16.976 5.775 1.00 50.75 96 B 1 ATOM 1555 O O . HIS B 2 96 ? -31.713 -15.830 6.061 1.00 46.28 96 B 1 ATOM 1556 C CB . HIS B 2 96 ? -30.465 -18.942 5.919 1.00 49.34 96 B 1 ATOM 1557 C CG . HIS B 2 96 ? -29.592 -18.326 6.989 1.00 46.34 96 B 1 ATOM 1558 N ND1 . HIS B 2 96 ? -30.043 -17.580 8.048 1.00 42.42 96 B 1 ATOM 1559 C CD2 . HIS B 2 96 ? -28.232 -18.396 7.112 1.00 40.00 96 B 1 ATOM 1560 C CE1 . HIS B 2 96 ? -28.982 -17.203 8.779 1.00 40.84 96 B 1 ATOM 1561 N NE2 . HIS B 2 96 ? -27.867 -17.680 8.250 1.00 44.60 96 B 1 ATOM 1562 O OXT . HIS B 2 96 ? -33.224 -17.461 6.082 1.00 43.17 96 B 1 #