# 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_wwv39453.1_acrib8 # _entry.id wwv39453.1_acrib8 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # 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 TYR 2 1 n VAL 3 1 n ILE 4 1 n LEU 5 1 n ILE 6 1 n TYR 7 1 n ASP 8 1 n ILE 9 1 n SER 10 1 n VAL 11 1 n GLU 12 1 n ASN 13 1 n GLY 14 1 n GLY 15 1 n ALA 16 1 n LYS 17 1 n VAL 18 1 n TRP 19 1 n ARG 20 1 n ASN 21 1 n VAL 22 1 n PHE 23 1 n LYS 24 1 n ILE 25 1 n PHE 26 1 n LYS 27 1 n ARG 28 1 n TYR 29 1 n LEU 30 1 n THR 31 1 n HIS 32 1 n VAL 33 1 n GLN 34 1 n LYS 35 1 n SER 36 1 n VAL 37 1 n PHE 38 1 n GLU 39 1 n GLY 40 1 n GLU 41 1 n ILE 42 1 n THR 43 1 n PRO 44 1 n ALA 45 1 n LEU 46 1 n LEU 47 1 n VAL 48 1 n LYS 49 1 n LEU 50 1 n ARG 51 1 n MET 52 1 n GLU 53 1 n LEU 54 1 n ASP 55 1 n LYS 56 1 n TYR 57 1 n ILE 58 1 n ARG 59 1 n SER 60 1 n ASP 61 1 n MET 62 1 n ASP 63 1 n SER 64 1 n VAL 65 1 n ILE 66 1 n VAL 67 1 n PHE 68 1 n SER 69 1 n SER 70 1 n ARG 71 1 n GLN 72 1 n GLN 73 1 n LYS 74 1 n TRP 75 1 n LEU 76 1 n GLU 77 1 n LYS 78 1 n GLU 79 1 n PHE 80 1 n TRP 81 1 n GLY 82 1 n LEU 83 1 n THR 84 1 n ASP 85 1 n GLU 86 1 n LYS 87 1 n THR 88 1 n SER 89 1 n ASN 90 1 n PHE 91 1 n PHE 92 2 n MET 1 2 n LYS 2 2 n THR 3 2 n ILE 4 2 n ASP 5 2 n ARG 6 2 n ASP 7 2 n GLU 8 2 n ILE 9 2 n ALA 10 2 n LYS 11 2 n ASP 12 2 n ILE 13 2 n ASN 14 2 n ALA 15 2 n CYS 16 2 n ILE 17 2 n LYS 18 2 n GLY 19 2 n LEU 20 2 n GLY 21 2 n ARG 22 2 n ASP 23 2 n ILE 24 2 n ARG 25 2 n THR 26 2 n ASN 27 2 n TRP 28 2 n GLU 29 2 n LEU 30 2 n GLY 31 2 n PHE 32 2 n GLU 33 2 n GLU 34 2 n GLY 35 2 n GLN 36 2 n ILE 37 2 n ILE 38 2 n THR 39 2 n LEU 40 2 n GLU 41 2 n ARG 42 2 n TYR 43 2 n GLU 44 2 n SER 45 2 n TRP 46 2 n THR 47 2 n THR 48 2 n GLY 49 2 n GLY 50 2 n ASP 51 2 n PHE 52 2 n THR 53 2 n VAL 54 2 n CYS 55 2 n ASN 56 2 n ASP 57 2 n CYS 58 2 n PRO 59 2 n VAL 60 2 n GLU 61 2 n TYR 62 2 n HIS 63 2 n PHE 64 2 n GLU 65 2 n ILE 66 2 n GLU 67 2 n ASN 68 2 n GLU 69 2 n VAL 70 2 n PRO 71 2 n CYS 72 2 n HIS 73 2 n VAL 74 2 n VAL 75 2 n ASP 76 2 n TYR 77 2 n ASN 78 2 n ASN 79 2 n LYS 80 2 n GLU 81 2 n GLU 82 2 n VAL 83 2 n ILE 84 2 n ALA 85 2 n LEU 86 2 n GLY 87 2 n ALA 88 2 n GLU 89 2 n ASP 90 2 n CYS 91 2 n GLU 92 2 n ASP 93 2 n GLU 94 2 n ASN 95 2 n GLU 96 2 n VAL 97 2 n LEU 98 2 n LEU 99 2 n PRO 100 2 n ALA 101 2 n GLY 102 2 n THR 103 2 n LYS 104 2 n LEU 105 2 n GLU 106 2 n VAL 107 2 n VAL 108 2 n TYR 109 2 n GLY 110 2 n GLU 111 2 n HIS 112 2 n GLU 113 2 n ASP 114 2 n ASP 115 2 n ASN 116 2 n GLU 117 2 n GLU 118 2 n MET 119 2 n GLY 120 2 n PHE 121 2 n TYR 122 2 n THR 123 2 n VAL 124 2 n ILE 125 2 n PHE 126 2 n LYS 127 2 n TYR 128 2 n LEU 129 2 n GLU 130 2 n GLU 131 2 n GLU 132 2 n LYS 133 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-20 09:54:07)" _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 82.78 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 88.12 1 1 A TYR 2 2 93.20 1 2 A VAL 3 2 94.98 1 3 A ILE 4 2 94.83 1 4 A LEU 5 2 96.06 1 5 A ILE 6 2 93.33 1 6 A TYR 7 2 96.99 1 7 A ASP 8 2 93.07 1 8 A ILE 9 2 94.84 1 9 A SER 10 2 91.30 1 10 A VAL 11 2 84.82 1 11 A GLU 12 2 77.69 1 12 A ASN 13 2 75.51 1 13 A GLY 14 2 82.30 1 14 A GLY 15 2 88.36 1 15 A ALA 16 2 89.72 1 16 A LYS 17 2 80.75 1 17 A VAL 18 2 92.87 1 18 A TRP 19 2 93.20 1 19 A ARG 20 2 81.48 1 20 A ASN 21 2 90.01 1 21 A VAL 22 2 96.12 1 22 A PHE 23 2 95.41 1 23 A LYS 24 2 85.24 1 24 A ILE 25 2 96.80 1 25 A PHE 26 2 96.50 1 26 A LYS 27 2 91.02 1 27 A ARG 28 2 87.23 1 28 A TYR 29 2 97.18 1 29 A LEU 30 2 96.80 1 30 A THR 31 2 94.70 1 31 A HIS 32 2 91.71 1 32 A VAL 33 2 90.04 1 33 A GLN 34 2 86.86 1 34 A LYS 35 2 86.52 1 35 A SER 36 2 94.37 1 36 A VAL 37 2 95.74 1 37 A PHE 38 2 96.61 1 38 A GLU 39 2 89.88 1 39 A GLY 40 2 96.01 1 40 A GLU 41 2 86.90 1 41 A ILE 42 2 95.69 1 42 A THR 43 2 95.85 1 43 A PRO 44 2 95.36 1 44 A ALA 45 2 97.44 1 45 A LEU 46 2 95.60 1 46 A LEU 47 2 96.21 1 47 A VAL 48 2 96.19 1 48 A LYS 49 2 89.07 1 49 A LEU 50 2 96.36 1 50 A ARG 51 2 84.82 1 51 A MET 52 2 90.49 1 52 A GLU 53 2 94.64 1 53 A LEU 54 2 95.13 1 54 A ASP 55 2 90.60 1 55 A LYS 56 2 84.17 1 56 A TYR 57 2 92.58 1 57 A ILE 58 2 93.53 1 58 A ARG 59 2 92.12 1 59 A SER 60 2 92.29 1 60 A ASP 61 2 89.06 1 61 A MET 62 2 88.18 1 62 A ASP 63 2 95.82 1 63 A SER 64 2 94.50 1 64 A VAL 65 2 96.84 1 65 A ILE 66 2 95.08 1 66 A VAL 67 2 96.00 1 67 A PHE 68 2 91.16 1 68 A SER 69 2 92.07 1 69 A SER 70 2 90.55 1 70 A ARG 71 2 73.91 1 71 A GLN 72 2 77.99 1 72 A GLN 73 2 77.34 1 73 A LYS 74 2 70.81 1 74 A TRP 75 2 70.30 1 75 A LEU 76 2 81.82 1 76 A GLU 77 2 79.20 1 77 A LYS 78 2 79.40 1 78 A GLU 79 2 83.95 1 79 A PHE 80 2 77.48 1 80 A TRP 81 2 87.36 1 81 A GLY 82 2 87.40 1 82 A LEU 83 2 75.28 1 83 A THR 84 2 66.03 1 84 A ASP 85 2 56.14 1 85 A GLU 86 2 47.20 1 86 A LYS 87 2 50.90 1 87 A THR 88 2 50.01 1 88 A SER 89 2 49.00 1 89 A ASN 90 2 46.57 1 90 A PHE 91 2 44.28 1 91 A PHE 92 2 39.71 1 92 B MET 1 2 37.95 1 93 B LYS 2 2 42.90 1 94 B THR 3 2 50.03 1 95 B ILE 4 2 56.39 1 96 B ASP 5 2 68.14 1 97 B ARG 6 2 67.13 1 98 B ASP 7 2 76.24 1 99 B GLU 8 2 73.82 1 100 B ILE 9 2 81.34 1 101 B ALA 10 2 87.86 1 102 B LYS 11 2 80.38 1 103 B ASP 12 2 85.03 1 104 B ILE 13 2 88.16 1 105 B ASN 14 2 87.50 1 106 B ALA 15 2 93.03 1 107 B CYS 16 2 92.35 1 108 B ILE 17 2 92.16 1 109 B LYS 18 2 87.38 1 110 B GLY 19 2 90.94 1 111 B LEU 20 2 93.01 1 112 B GLY 21 2 91.88 1 113 B ARG 22 2 89.19 1 114 B ASP 23 2 87.22 1 115 B ILE 24 2 90.88 1 116 B ARG 25 2 84.26 1 117 B THR 26 2 92.84 1 118 B ASN 27 2 88.90 1 119 B TRP 28 2 82.16 1 120 B GLU 29 2 91.35 1 121 B LEU 30 2 94.18 1 122 B GLY 31 2 96.05 1 123 B PHE 32 2 96.34 1 124 B GLU 33 2 89.25 1 125 B GLU 34 2 92.25 1 126 B GLY 35 2 97.66 1 127 B GLN 36 2 93.02 1 128 B ILE 37 2 94.86 1 129 B ILE 38 2 91.32 1 130 B THR 39 2 93.91 1 131 B LEU 40 2 93.54 1 132 B GLU 41 2 84.49 1 133 B ARG 42 2 75.31 1 134 B TYR 43 2 85.65 1 135 B GLU 44 2 90.27 1 136 B SER 45 2 88.04 1 137 B TRP 46 2 92.90 1 138 B THR 47 2 85.81 1 139 B THR 48 2 80.40 1 140 B GLY 49 2 70.69 1 141 B GLY 50 2 61.84 1 142 B ASP 51 2 56.71 1 143 B PHE 52 2 55.18 1 144 B THR 53 2 60.23 1 145 B VAL 54 2 62.84 1 146 B CYS 55 2 62.32 1 147 B ASN 56 2 67.99 1 148 B ASP 57 2 74.15 1 149 B CYS 58 2 87.42 1 150 B PRO 59 2 91.21 1 151 B VAL 60 2 93.05 1 152 B GLU 61 2 89.18 1 153 B TYR 62 2 94.82 1 154 B HIS 63 2 82.93 1 155 B PHE 64 2 94.33 1 156 B GLU 65 2 88.90 1 157 B ILE 66 2 95.52 1 158 B GLU 67 2 91.41 1 159 B ASN 68 2 94.98 1 160 B GLU 69 2 91.13 1 161 B VAL 70 2 94.34 1 162 B PRO 71 2 95.34 1 163 B CYS 72 2 94.75 1 164 B HIS 73 2 88.21 1 165 B VAL 74 2 86.21 1 166 B VAL 75 2 77.38 1 167 B ASP 76 2 65.77 1 168 B TYR 77 2 57.03 1 169 B ASN 78 2 59.35 1 170 B ASN 79 2 55.62 1 171 B LYS 80 2 56.49 1 172 B GLU 81 2 55.14 1 173 B GLU 82 2 53.81 1 174 B VAL 83 2 55.35 1 175 B ILE 84 2 57.49 1 176 B ALA 85 2 57.47 1 177 B LEU 86 2 52.76 1 178 B GLY 87 2 60.64 1 179 B ALA 88 2 54.73 1 180 B GLU 89 2 53.29 1 181 B ASP 90 2 53.52 1 182 B CYS 91 2 50.52 1 183 B GLU 92 2 51.08 1 184 B ASP 93 2 51.48 1 185 B GLU 94 2 52.42 1 186 B ASN 95 2 66.34 1 187 B GLU 96 2 77.19 1 188 B VAL 97 2 88.50 1 189 B LEU 98 2 89.99 1 190 B LEU 99 2 93.44 1 191 B PRO 100 2 94.27 1 192 B ALA 101 2 93.53 1 193 B GLY 102 2 94.59 1 194 B THR 103 2 95.04 1 195 B LYS 104 2 90.14 1 196 B LEU 105 2 96.94 1 197 B GLU 106 2 95.53 1 198 B VAL 107 2 97.57 1 199 B VAL 108 2 93.93 1 200 B TYR 109 2 93.56 1 201 B GLY 110 2 96.22 1 202 B GLU 111 2 93.07 1 203 B HIS 112 2 88.25 1 204 B GLU 113 2 83.35 1 205 B ASP 114 2 87.89 1 206 B ASP 115 2 93.84 1 207 B ASN 116 2 94.15 1 208 B GLU 117 2 88.23 1 209 B GLU 118 2 94.17 1 210 B MET 119 2 93.26 1 211 B GLY 120 2 93.92 1 212 B PHE 121 2 93.14 1 213 B TYR 122 2 95.70 1 214 B THR 123 2 90.17 1 215 B VAL 124 2 95.73 1 216 B ILE 125 2 94.27 1 217 B PHE 126 2 96.92 1 218 B LYS 127 2 91.13 1 219 B TYR 128 2 97.00 1 220 B LEU 129 2 94.33 1 221 B GLU 130 2 78.68 1 222 B GLU 131 2 65.26 1 223 B GLU 132 2 57.68 1 224 B LYS 133 2 47.03 1 225 # _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 TYR . 2 A 2 A 3 1 n VAL . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n TYR . 7 A 7 A 8 1 n ASP . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n GLU . 12 A 12 A 13 1 n ASN . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n LYS . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n TRP . 19 A 19 A 20 1 n ARG . 20 A 20 A 21 1 n ASN . 21 A 21 A 22 1 n VAL . 22 A 22 A 23 1 n PHE . 23 A 23 A 24 1 n LYS . 24 A 24 A 25 1 n ILE . 25 A 25 A 26 1 n PHE . 26 A 26 A 27 1 n LYS . 27 A 27 A 28 1 n ARG . 28 A 28 A 29 1 n TYR . 29 A 29 A 30 1 n LEU . 30 A 30 A 31 1 n THR . 31 A 31 A 32 1 n HIS . 32 A 32 A 33 1 n VAL . 33 A 33 A 34 1 n GLN . 34 A 34 A 35 1 n LYS . 35 A 35 A 36 1 n SER . 36 A 36 A 37 1 n VAL . 37 A 37 A 38 1 n PHE . 38 A 38 A 39 1 n GLU . 39 A 39 A 40 1 n GLY . 40 A 40 A 41 1 n GLU . 41 A 41 A 42 1 n ILE . 42 A 42 A 43 1 n THR . 43 A 43 A 44 1 n PRO . 44 A 44 A 45 1 n ALA . 45 A 45 A 46 1 n LEU . 46 A 46 A 47 1 n LEU . 47 A 47 A 48 1 n VAL . 48 A 48 A 49 1 n LYS . 49 A 49 A 50 1 n LEU . 50 A 50 A 51 1 n ARG . 51 A 51 A 52 1 n MET . 52 A 52 A 53 1 n GLU . 53 A 53 A 54 1 n LEU . 54 A 54 A 55 1 n ASP . 55 A 55 A 56 1 n LYS . 56 A 56 A 57 1 n TYR . 57 A 57 A 58 1 n ILE . 58 A 58 A 59 1 n ARG . 59 A 59 A 60 1 n SER . 60 A 60 A 61 1 n ASP . 61 A 61 A 62 1 n MET . 62 A 62 A 63 1 n ASP . 63 A 63 A 64 1 n SER . 64 A 64 A 65 1 n VAL . 65 A 65 A 66 1 n ILE . 66 A 66 A 67 1 n VAL . 67 A 67 A 68 1 n PHE . 68 A 68 A 69 1 n SER . 69 A 69 A 70 1 n SER . 70 A 70 A 71 1 n ARG . 71 A 71 A 72 1 n GLN . 72 A 72 A 73 1 n GLN . 73 A 73 A 74 1 n LYS . 74 A 74 A 75 1 n TRP . 75 A 75 A 76 1 n LEU . 76 A 76 A 77 1 n GLU . 77 A 77 A 78 1 n LYS . 78 A 78 A 79 1 n GLU . 79 A 79 A 80 1 n PHE . 80 A 80 A 81 1 n TRP . 81 A 81 A 82 1 n GLY . 82 A 82 A 83 1 n LEU . 83 A 83 A 84 1 n THR . 84 A 84 A 85 1 n ASP . 85 A 85 A 86 1 n GLU . 86 A 86 A 87 1 n LYS . 87 A 87 A 88 1 n THR . 88 A 88 A 89 1 n SER . 89 A 89 A 90 1 n ASN . 90 A 90 A 91 1 n PHE . 91 A 91 A 92 1 n PHE . 92 A 92 B 1 2 n MET . 1 B 1 B 2 2 n LYS . 2 B 2 B 3 2 n THR . 3 B 3 B 4 2 n ILE . 4 B 4 B 5 2 n ASP . 5 B 5 B 6 2 n ARG . 6 B 6 B 7 2 n ASP . 7 B 7 B 8 2 n GLU . 8 B 8 B 9 2 n ILE . 9 B 9 B 10 2 n ALA . 10 B 10 B 11 2 n LYS . 11 B 11 B 12 2 n ASP . 12 B 12 B 13 2 n ILE . 13 B 13 B 14 2 n ASN . 14 B 14 B 15 2 n ALA . 15 B 15 B 16 2 n CYS . 16 B 16 B 17 2 n ILE . 17 B 17 B 18 2 n LYS . 18 B 18 B 19 2 n GLY . 19 B 19 B 20 2 n LEU . 20 B 20 B 21 2 n GLY . 21 B 21 B 22 2 n ARG . 22 B 22 B 23 2 n ASP . 23 B 23 B 24 2 n ILE . 24 B 24 B 25 2 n ARG . 25 B 25 B 26 2 n THR . 26 B 26 B 27 2 n ASN . 27 B 27 B 28 2 n TRP . 28 B 28 B 29 2 n GLU . 29 B 29 B 30 2 n LEU . 30 B 30 B 31 2 n GLY . 31 B 31 B 32 2 n PHE . 32 B 32 B 33 2 n GLU . 33 B 33 B 34 2 n GLU . 34 B 34 B 35 2 n GLY . 35 B 35 B 36 2 n GLN . 36 B 36 B 37 2 n ILE . 37 B 37 B 38 2 n ILE . 38 B 38 B 39 2 n THR . 39 B 39 B 40 2 n LEU . 40 B 40 B 41 2 n GLU . 41 B 41 B 42 2 n ARG . 42 B 42 B 43 2 n TYR . 43 B 43 B 44 2 n GLU . 44 B 44 B 45 2 n SER . 45 B 45 B 46 2 n TRP . 46 B 46 B 47 2 n THR . 47 B 47 B 48 2 n THR . 48 B 48 B 49 2 n GLY . 49 B 49 B 50 2 n GLY . 50 B 50 B 51 2 n ASP . 51 B 51 B 52 2 n PHE . 52 B 52 B 53 2 n THR . 53 B 53 B 54 2 n VAL . 54 B 54 B 55 2 n CYS . 55 B 55 B 56 2 n ASN . 56 B 56 B 57 2 n ASP . 57 B 57 B 58 2 n CYS . 58 B 58 B 59 2 n PRO . 59 B 59 B 60 2 n VAL . 60 B 60 B 61 2 n GLU . 61 B 61 B 62 2 n TYR . 62 B 62 B 63 2 n HIS . 63 B 63 B 64 2 n PHE . 64 B 64 B 65 2 n GLU . 65 B 65 B 66 2 n ILE . 66 B 66 B 67 2 n GLU . 67 B 67 B 68 2 n ASN . 68 B 68 B 69 2 n GLU . 69 B 69 B 70 2 n VAL . 70 B 70 B 71 2 n PRO . 71 B 71 B 72 2 n CYS . 72 B 72 B 73 2 n HIS . 73 B 73 B 74 2 n VAL . 74 B 74 B 75 2 n VAL . 75 B 75 B 76 2 n ASP . 76 B 76 B 77 2 n TYR . 77 B 77 B 78 2 n ASN . 78 B 78 B 79 2 n ASN . 79 B 79 B 80 2 n LYS . 80 B 80 B 81 2 n GLU . 81 B 81 B 82 2 n GLU . 82 B 82 B 83 2 n VAL . 83 B 83 B 84 2 n ILE . 84 B 84 B 85 2 n ALA . 85 B 85 B 86 2 n LEU . 86 B 86 B 87 2 n GLY . 87 B 87 B 88 2 n ALA . 88 B 88 B 89 2 n GLU . 89 B 89 B 90 2 n ASP . 90 B 90 B 91 2 n CYS . 91 B 91 B 92 2 n GLU . 92 B 92 B 93 2 n ASP . 93 B 93 B 94 2 n GLU . 94 B 94 B 95 2 n ASN . 95 B 95 B 96 2 n GLU . 96 B 96 B 97 2 n VAL . 97 B 97 B 98 2 n LEU . 98 B 98 B 99 2 n LEU . 99 B 99 B 100 2 n PRO . 100 B 100 B 101 2 n ALA . 101 B 101 B 102 2 n GLY . 102 B 102 B 103 2 n THR . 103 B 103 B 104 2 n LYS . 104 B 104 B 105 2 n LEU . 105 B 105 B 106 2 n GLU . 106 B 106 B 107 2 n VAL . 107 B 107 B 108 2 n VAL . 108 B 108 B 109 2 n TYR . 109 B 109 B 110 2 n GLY . 110 B 110 B 111 2 n GLU . 111 B 111 B 112 2 n HIS . 112 B 112 B 113 2 n GLU . 113 B 113 B 114 2 n ASP . 114 B 114 B 115 2 n ASP . 115 B 115 B 116 2 n ASN . 116 B 116 B 117 2 n GLU . 117 B 117 B 118 2 n GLU . 118 B 118 B 119 2 n MET . 119 B 119 B 120 2 n GLY . 120 B 120 B 121 2 n PHE . 121 B 121 B 122 2 n TYR . 122 B 122 B 123 2 n THR . 123 B 123 B 124 2 n VAL . 124 B 124 B 125 2 n ILE . 125 B 125 B 126 2 n PHE . 126 B 126 B 127 2 n LYS . 127 B 127 B 128 2 n TYR . 128 B 128 B 129 2 n LEU . 129 B 129 B 130 2 n GLU . 130 B 130 B 131 2 n GLU . 131 B 131 B 132 2 n GLU . 132 B 132 B 133 2 n LYS . 133 B 133 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (fa08f1a239cfd4fd49a5c37bef32bd41139da97e359ba389d3209450484ef018)" # 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 ? 7.142 -26.309 10.151 1.00 91.40 1 A 1 ATOM 2 C CA . MET A 1 1 ? 7.766 -25.312 11.037 1.00 93.78 1 A 1 ATOM 3 C C . MET A 1 1 ? 6.670 -24.384 11.490 1.00 94.51 1 A 1 ATOM 4 O O . MET A 1 1 ? 5.878 -23.982 10.647 1.00 93.01 1 A 1 ATOM 5 C CB . MET A 1 1 ? 8.868 -24.562 10.283 1.00 90.21 1 A 1 ATOM 6 C CG . MET A 1 1 ? 9.534 -23.440 11.080 1.00 83.68 1 A 1 ATOM 7 S SD . MET A 1 1 ? 10.950 -22.694 10.218 1.00 83.63 1 A 1 ATOM 8 C CE . MET A 1 1 ? 10.100 -21.855 8.874 1.00 74.76 1 A 1 ATOM 9 N N . TYR A 1 2 ? 6.594 -24.086 12.771 1.00 94.91 2 A 1 ATOM 10 C CA . TYR A 1 2 ? 5.651 -23.112 13.306 1.00 95.46 2 A 1 ATOM 11 C C . TYR A 1 2 ? 6.351 -21.769 13.452 1.00 95.98 2 A 1 ATOM 12 O O . TYR A 1 2 ? 7.502 -21.730 13.893 1.00 95.40 2 A 1 ATOM 13 C CB . TYR A 1 2 ? 5.097 -23.614 14.634 1.00 94.52 2 A 1 ATOM 14 C CG . TYR A 1 2 ? 3.844 -22.882 15.048 1.00 94.14 2 A 1 ATOM 15 C CD1 . TYR A 1 2 ? 3.877 -21.847 16.007 1.00 92.59 2 A 1 ATOM 16 C CD2 . TYR A 1 2 ? 2.621 -23.249 14.461 1.00 92.59 2 A 1 ATOM 17 C CE1 . TYR A 1 2 ? 2.689 -21.206 16.398 1.00 91.25 2 A 1 ATOM 18 C CE2 . TYR A 1 2 ? 1.429 -22.615 14.843 1.00 90.91 2 A 1 ATOM 19 C CZ . TYR A 1 2 ? 1.465 -21.602 15.817 1.00 91.27 2 A 1 ATOM 20 O OH . TYR A 1 2 ? 0.288 -21.015 16.200 1.00 89.33 2 A 1 ATOM 21 N N . VAL A 1 3 ? 5.683 -20.698 13.061 1.00 96.40 3 A 1 ATOM 22 C CA . VAL A 1 3 ? 6.215 -19.340 13.177 1.00 96.83 3 A 1 ATOM 23 C C . VAL A 1 3 ? 5.230 -18.433 13.897 1.00 96.85 3 A 1 ATOM 24 O O . VAL A 1 3 ? 4.022 -18.594 13.751 1.00 96.14 3 A 1 ATOM 25 C CB . VAL A 1 3 ? 6.627 -18.731 11.824 1.00 96.12 3 A 1 ATOM 26 C CG1 . VAL A 1 3 ? 7.732 -19.565 11.161 1.00 91.29 3 A 1 ATOM 27 C CG2 . VAL A 1 3 ? 5.469 -18.578 10.838 1.00 91.25 3 A 1 ATOM 28 N N . ILE A 1 4 ? 5.768 -17.475 14.644 1.00 96.64 4 A 1 ATOM 29 C CA . ILE A 1 4 ? 5.058 -16.298 15.143 1.00 96.48 4 A 1 ATOM 30 C C . ILE A 1 4 ? 5.737 -15.093 14.506 1.00 96.91 4 A 1 ATOM 31 O O . ILE A 1 4 ? 6.962 -14.965 14.569 1.00 96.58 4 A 1 ATOM 32 C CB . ILE A 1 4 ? 5.081 -16.222 16.685 1.00 95.50 4 A 1 ATOM 33 C CG1 . ILE A 1 4 ? 4.439 -17.485 17.312 1.00 93.87 4 A 1 ATOM 34 C CG2 . ILE A 1 4 ? 4.369 -14.944 17.164 1.00 93.96 4 A 1 ATOM 35 C CD1 . ILE A 1 4 ? 4.608 -17.581 18.831 1.00 88.69 4 A 1 ATOM 36 N N . LEU A 1 5 ? 4.944 -14.252 13.857 1.00 97.29 5 A 1 ATOM 37 C CA . LEU A 1 5 ? 5.406 -13.057 13.168 1.00 97.63 5 A 1 ATOM 38 C C . LEU A 1 5 ? 4.775 -11.832 13.826 1.00 97.69 5 A 1 ATOM 39 O O . LEU A 1 5 ? 3.558 -11.756 13.954 1.00 97.28 5 A 1 ATOM 40 C CB . LEU A 1 5 ? 5.096 -13.202 11.669 1.00 97.42 5 A 1 ATOM 41 C CG . LEU A 1 5 ? 5.639 -12.053 10.790 1.00 96.53 5 A 1 ATOM 42 C CD1 . LEU A 1 5 ? 5.818 -12.553 9.353 1.00 92.67 5 A 1 ATOM 43 C CD2 . LEU A 1 5 ? 4.695 -10.845 10.747 1.00 91.99 5 A 1 ATOM 44 N N . ILE A 1 6 ? 5.620 -10.889 14.222 1.00 97.71 6 A 1 ATOM 45 C CA . ILE A 1 6 ? 5.231 -9.597 14.787 1.00 97.67 6 A 1 ATOM 46 C C . ILE A 1 6 ? 5.784 -8.527 13.855 1.00 97.90 6 A 1 ATOM 47 O O . ILE A 1 6 ? 6.938 -8.628 13.433 1.00 97.31 6 A 1 ATOM 48 C CB . ILE A 1 6 ? 5.765 -9.429 16.225 1.00 96.46 6 A 1 ATOM 49 C CG1 . ILE A 1 6 ? 5.380 -10.638 17.118 1.00 89.19 6 A 1 ATOM 50 C CG2 . ILE A 1 6 ? 5.239 -8.112 16.825 1.00 86.88 6 A 1 ATOM 51 C CD1 . ILE A 1 6 ? 5.985 -10.595 18.527 1.00 83.49 6 A 1 ATOM 52 N N . TYR A 1 7 ? 4.980 -7.526 13.518 1.00 98.06 7 A 1 ATOM 53 C CA . TYR A 1 7 ? 5.405 -6.468 12.611 1.00 98.06 7 A 1 ATOM 54 C C . TYR A 1 7 ? 5.004 -5.082 13.117 1.00 97.90 7 A 1 ATOM 55 O O . TYR A 1 7 ? 4.057 -4.932 13.879 1.00 97.05 7 A 1 ATOM 56 C CB . TYR A 1 7 ? 4.889 -6.753 11.197 1.00 97.71 7 A 1 ATOM 57 C CG . TYR A 1 7 ? 3.421 -6.445 10.998 1.00 97.95 7 A 1 ATOM 58 C CD1 . TYR A 1 7 ? 2.413 -7.354 11.406 1.00 97.00 7 A 1 ATOM 59 C CD2 . TYR A 1 7 ? 3.051 -5.223 10.416 1.00 96.81 7 A 1 ATOM 60 C CE1 . TYR A 1 7 ? 1.060 -7.037 11.231 1.00 96.06 7 A 1 ATOM 61 C CE2 . TYR A 1 7 ? 1.699 -4.896 10.238 1.00 95.90 7 A 1 ATOM 62 C CZ . TYR A 1 7 ? 0.707 -5.803 10.648 1.00 96.43 7 A 1 ATOM 63 O OH . TYR A 1 7 ? -0.603 -5.466 10.471 1.00 94.97 7 A 1 ATOM 64 N N . ASP A 1 8 ? 5.742 -4.077 12.661 1.00 97.55 8 A 1 ATOM 65 C CA . ASP A 1 8 ? 5.461 -2.663 12.892 1.00 97.22 8 A 1 ATOM 66 C C . ASP A 1 8 ? 5.833 -1.887 11.626 1.00 97.14 8 A 1 ATOM 67 O O . ASP A 1 8 ? 6.961 -2.001 11.136 1.00 95.86 8 A 1 ATOM 68 C CB . ASP A 1 8 ? 6.248 -2.181 14.120 1.00 95.95 8 A 1 ATOM 69 C CG . ASP A 1 8 ? 5.847 -0.777 14.578 1.00 90.33 8 A 1 ATOM 70 O OD1 . ASP A 1 8 ? 4.830 -0.262 14.068 1.00 86.51 8 A 1 ATOM 71 O OD2 . ASP A 1 8 ? 6.543 -0.262 15.480 1.00 84.01 8 A 1 ATOM 72 N N . ILE A 1 9 ? 4.859 -1.177 11.052 1.00 96.37 9 A 1 ATOM 73 C CA . ILE A 1 9 ? 5.004 -0.422 9.806 1.00 95.95 9 A 1 ATOM 74 C C . ILE A 1 9 ? 4.792 1.056 10.113 1.00 95.18 9 A 1 ATOM 75 O O . ILE A 1 9 ? 3.742 1.438 10.630 1.00 93.90 9 A 1 ATOM 76 C CB . ILE A 1 9 ? 4.024 -0.919 8.722 1.00 95.74 9 A 1 ATOM 77 C CG1 . ILE A 1 9 ? 4.129 -2.438 8.421 1.00 94.50 9 A 1 ATOM 78 C CG2 . ILE A 1 9 ? 4.176 -0.124 7.419 1.00 94.84 9 A 1 ATOM 79 C CD1 . ILE A 1 9 ? 5.494 -2.914 7.915 1.00 92.27 9 A 1 ATOM 80 N N . SER A 1 10 ? 5.760 1.882 9.743 1.00 94.30 10 A 1 ATOM 81 C CA . SER A 1 10 ? 5.602 3.334 9.806 1.00 93.14 10 A 1 ATOM 82 C C . SER A 1 10 ? 4.622 3.823 8.733 1.00 92.63 10 A 1 ATOM 83 O O . SER A 1 10 ? 4.748 3.474 7.561 1.00 91.37 10 A 1 ATOM 84 C CB . SER A 1 10 ? 6.953 4.038 9.651 1.00 91.82 10 A 1 ATOM 85 O OG . SER A 1 10 ? 6.732 5.434 9.736 1.00 84.54 10 A 1 ATOM 86 N N . VAL A 1 11 ? 3.658 4.659 9.138 1.00 91.15 11 A 1 ATOM 87 C CA . VAL A 1 11 ? 2.689 5.272 8.208 1.00 88.87 11 A 1 ATOM 88 C C . VAL A 1 11 ? 3.331 6.393 7.376 1.00 87.76 11 A 1 ATOM 89 O O . VAL A 1 11 ? 2.814 6.753 6.322 1.00 84.19 11 A 1 ATOM 90 C CB . VAL A 1 11 ? 1.438 5.766 8.968 1.00 86.73 11 A 1 ATOM 91 C CG1 . VAL A 1 11 ? 0.309 6.185 8.022 1.00 76.33 11 A 1 ATOM 92 C CG2 . VAL A 1 11 ? 0.860 4.673 9.877 1.00 78.71 11 A 1 ATOM 93 N N . GLU A 1 12 ? 4.484 6.900 7.799 1.00 86.99 12 A 1 ATOM 94 C CA . GLU A 1 12 ? 5.198 7.970 7.104 1.00 85.56 12 A 1 ATOM 95 C C . GLU A 1 12 ? 5.636 7.560 5.689 1.00 85.40 12 A 1 ATOM 96 O O . GLU A 1 12 ? 5.892 6.381 5.404 1.00 82.52 12 A 1 ATOM 97 C CB . GLU A 1 12 ? 6.423 8.407 7.928 1.00 83.23 12 A 1 ATOM 98 C CG . GLU A 1 12 ? 6.054 8.977 9.308 1.00 76.20 12 A 1 ATOM 99 C CD . GLU A 1 12 ? 7.280 9.334 10.167 1.00 71.00 12 A 1 ATOM 100 O OE1 . GLU A 1 12 ? 7.064 9.815 11.302 1.00 64.35 12 A 1 ATOM 101 O OE2 . GLU A 1 12 ? 8.421 9.075 9.726 1.00 63.98 12 A 1 ATOM 102 N N . ASN A 1 13 ? 5.769 8.536 4.790 1.00 82.71 13 A 1 ATOM 103 C CA . ASN A 1 13 ? 6.297 8.364 3.433 1.00 81.96 13 A 1 ATOM 104 C C . ASN A 1 13 ? 5.606 7.242 2.637 1.00 82.25 13 A 1 ATOM 105 O O . ASN A 1 13 ? 6.241 6.295 2.162 1.00 77.39 13 A 1 ATOM 106 C CB . ASN A 1 13 ? 7.828 8.200 3.498 1.00 78.96 13 A 1 ATOM 107 C CG . ASN A 1 13 ? 8.540 9.423 4.047 1.00 71.92 13 A 1 ATOM 108 O OD1 . ASN A 1 13 ? 8.080 10.536 3.949 1.00 64.80 13 A 1 ATOM 109 N ND2 . ASN A 1 13 ? 9.713 9.247 4.622 1.00 64.07 13 A 1 ATOM 110 N N . GLY A 1 14 ? 4.290 7.300 2.518 1.00 81.83 14 A 1 ATOM 111 C CA . GLY A 1 14 ? 3.516 6.296 1.774 1.00 81.59 14 A 1 ATOM 112 C C . GLY A 1 14 ? 3.299 4.977 2.528 1.00 84.15 14 A 1 ATOM 113 O O . GLY A 1 14 ? 2.910 3.965 1.932 1.00 81.64 14 A 1 ATOM 114 N N . GLY A 1 15 ? 3.537 4.972 3.848 1.00 86.32 15 A 1 ATOM 115 C CA . GLY A 1 15 ? 3.454 3.790 4.697 1.00 88.12 15 A 1 ATOM 116 C C . GLY A 1 15 ? 2.092 3.102 4.730 1.00 89.77 15 A 1 ATOM 117 O O . GLY A 1 15 ? 2.055 1.877 4.848 1.00 89.25 15 A 1 ATOM 118 N N . ALA A 1 16 ? 0.978 3.811 4.537 1.00 89.53 16 A 1 ATOM 119 C CA . ALA A 1 16 ? -0.344 3.178 4.490 1.00 89.77 16 A 1 ATOM 120 C C . ALA A 1 16 ? -0.470 2.159 3.340 1.00 90.85 16 A 1 ATOM 121 O O . ALA A 1 16 ? -0.954 1.038 3.526 1.00 90.26 16 A 1 ATOM 122 C CB . ALA A 1 16 ? -1.408 4.268 4.378 1.00 88.19 16 A 1 ATOM 123 N N . LYS A 1 17 ? 0.062 2.478 2.157 1.00 88.97 17 A 1 ATOM 124 C CA . LYS A 1 17 ? 0.127 1.542 1.020 1.00 88.99 17 A 1 ATOM 125 C C . LYS A 1 17 ? 1.029 0.345 1.325 1.00 90.74 17 A 1 ATOM 126 O O . LYS A 1 17 ? 0.698 -0.789 0.963 1.00 90.24 17 A 1 ATOM 127 C CB . LYS A 1 17 ? 0.593 2.304 -0.228 1.00 86.34 17 A 1 ATOM 128 C CG . LYS A 1 17 ? 0.690 1.404 -1.473 1.00 78.46 17 A 1 ATOM 129 C CD . LYS A 1 17 ? 0.984 2.263 -2.702 1.00 75.66 17 A 1 ATOM 130 C CE . LYS A 1 17 ? 1.066 1.419 -3.978 1.00 66.70 17 A 1 ATOM 131 N NZ . LYS A 1 17 ? 0.776 2.251 -5.174 1.00 60.65 17 A 1 ATOM 132 N N . VAL A 1 18 ? 2.159 0.575 1.994 1.00 91.75 18 A 1 ATOM 133 C CA . VAL A 1 18 ? 3.059 -0.490 2.455 1.00 93.11 18 A 1 ATOM 134 C C . VAL A 1 18 ? 2.316 -1.398 3.427 1.00 94.24 18 A 1 ATOM 135 O O . VAL A 1 18 ? 2.236 -2.602 3.182 1.00 94.34 18 A 1 ATOM 136 C CB . VAL A 1 18 ? 4.339 0.086 3.094 1.00 93.03 18 A 1 ATOM 137 C CG1 . VAL A 1 18 ? 5.228 -1.010 3.689 1.00 91.81 18 A 1 ATOM 138 C CG2 . VAL A 1 18 ? 5.163 0.855 2.052 1.00 91.84 18 A 1 ATOM 139 N N . TRP A 1 19 ? 1.693 -0.827 4.452 1.00 94.02 19 A 1 ATOM 140 C CA . TRP A 1 19 ? 0.977 -1.563 5.496 1.00 94.87 19 A 1 ATOM 141 C C . TRP A 1 19 ? -0.141 -2.425 4.914 1.00 95.11 19 A 1 ATOM 142 O O . TRP A 1 19 ? -0.157 -3.638 5.137 1.00 94.66 19 A 1 ATOM 143 C CB . TRP A 1 19 ? 0.438 -0.580 6.535 1.00 94.79 19 A 1 ATOM 144 C CG . TRP A 1 19 ? 0.010 -1.163 7.853 1.00 94.30 19 A 1 ATOM 145 C CD1 . TRP A 1 19 ? -0.365 -2.439 8.087 1.00 91.05 19 A 1 ATOM 146 C CD2 . TRP A 1 19 ? -0.087 -0.480 9.143 1.00 93.98 19 A 1 ATOM 147 N NE1 . TRP A 1 19 ? -0.688 -2.598 9.430 1.00 92.32 19 A 1 ATOM 148 C CE2 . TRP A 1 19 ? -0.529 -1.421 10.108 1.00 93.40 19 A 1 ATOM 149 C CE3 . TRP A 1 19 ? 0.162 0.844 9.575 1.00 92.39 19 A 1 ATOM 150 C CZ2 . TRP A 1 19 ? -0.715 -1.076 11.466 1.00 91.80 19 A 1 ATOM 151 C CZ3 . TRP A 1 19 ? -0.029 1.186 10.920 1.00 91.16 19 A 1 ATOM 152 C CH2 . TRP A 1 19 ? -0.459 0.237 11.855 1.00 90.98 19 A 1 ATOM 153 N N . ARG A 1 20 ? -1.010 -1.866 4.073 1.00 93.88 20 A 1 ATOM 154 C CA . ARG A 1 20 ? -2.078 -2.611 3.388 1.00 93.39 20 A 1 ATOM 155 C C . ARG A 1 20 ? -1.543 -3.822 2.618 1.00 94.10 20 A 1 ATOM 156 O O . ARG A 1 20 ? -2.102 -4.916 2.694 1.00 93.56 20 A 1 ATOM 157 C CB . ARG A 1 20 ? -2.808 -1.661 2.424 1.00 91.50 20 A 1 ATOM 158 C CG . ARG A 1 20 ? -4.001 -2.334 1.732 1.00 83.94 20 A 1 ATOM 159 C CD . ARG A 1 20 ? -4.529 -1.473 0.591 1.00 80.27 20 A 1 ATOM 160 N NE . ARG A 1 20 ? -3.586 -1.448 -0.540 1.00 74.29 20 A 1 ATOM 161 C CZ . ARG A 1 20 ? -3.494 -0.521 -1.475 1.00 68.78 20 A 1 ATOM 162 N NH1 . ARG A 1 20 ? -4.279 0.516 -1.521 1.00 61.01 20 A 1 ATOM 163 N NH2 . ARG A 1 20 ? -2.594 -0.619 -2.401 1.00 61.60 20 A 1 ATOM 164 N N . ASN A 1 21 ? -0.471 -3.645 1.841 1.00 94.04 21 A 1 ATOM 165 C CA . ASN A 1 21 ? 0.086 -4.729 1.033 1.00 93.97 21 A 1 ATOM 166 C C . ASN A 1 21 ? 0.757 -5.801 1.900 1.00 95.55 21 A 1 ATOM 167 O O . ASN A 1 21 ? 0.551 -6.992 1.668 1.00 95.33 21 A 1 ATOM 168 C CB . ASN A 1 21 ? 1.050 -4.141 -0.004 1.00 92.42 21 A 1 ATOM 169 C CG . ASN A 1 21 ? 0.308 -3.455 -1.135 1.00 89.25 21 A 1 ATOM 170 O OD1 . ASN A 1 21 ? -0.558 -4.021 -1.779 1.00 80.83 21 A 1 ATOM 171 N ND2 . ASN A 1 21 ? 0.625 -2.211 -1.412 1.00 78.68 21 A 1 ATOM 172 N N . VAL A 1 22 ? 1.491 -5.396 2.931 1.00 96.06 22 A 1 ATOM 173 C CA . VAL A 1 22 ? 2.127 -6.289 3.904 1.00 97.17 22 A 1 ATOM 174 C C . VAL A 1 22 ? 1.074 -7.111 4.652 1.00 97.83 22 A 1 ATOM 175 O O . VAL A 1 22 ? 1.181 -8.336 4.697 1.00 97.75 22 A 1 ATOM 176 C CB . VAL A 1 22 ? 3.011 -5.454 4.853 1.00 96.62 22 A 1 ATOM 177 C CG1 . VAL A 1 22 ? 3.445 -6.218 6.093 1.00 93.76 22 A 1 ATOM 178 C CG2 . VAL A 1 22 ? 4.284 -4.998 4.120 1.00 93.67 22 A 1 ATOM 179 N N . PHE A 1 23 ? 0.002 -6.482 5.145 1.00 96.95 23 A 1 ATOM 180 C CA . PHE A 1 23 ? -1.103 -7.149 5.836 1.00 96.99 23 A 1 ATOM 181 C C . PHE A 1 23 ? -1.795 -8.190 4.944 1.00 97.16 23 A 1 ATOM 182 O O . PHE A 1 23 ? -1.966 -9.347 5.337 1.00 96.88 23 A 1 ATOM 183 C CB . PHE A 1 23 ? -2.086 -6.077 6.314 1.00 96.51 23 A 1 ATOM 184 C CG . PHE A 1 23 ? -3.257 -6.612 7.114 1.00 96.31 23 A 1 ATOM 185 C CD1 . PHE A 1 23 ? -4.580 -6.276 6.755 1.00 94.32 23 A 1 ATOM 186 C CD2 . PHE A 1 23 ? -3.028 -7.384 8.264 1.00 94.28 23 A 1 ATOM 187 C CE1 . PHE A 1 23 ? -5.656 -6.683 7.556 1.00 93.24 23 A 1 ATOM 188 C CE2 . PHE A 1 23 ? -4.108 -7.799 9.063 1.00 93.03 23 A 1 ATOM 189 C CZ . PHE A 1 23 ? -5.420 -7.441 8.714 1.00 93.86 23 A 1 ATOM 190 N N . LYS A 1 24 ? -2.096 -7.834 3.675 1.00 96.05 24 A 1 ATOM 191 C CA . LYS A 1 24 ? -2.652 -8.778 2.691 1.00 95.27 24 A 1 ATOM 192 C C . LYS A 1 24 ? -1.715 -9.952 2.404 1.00 96.25 24 A 1 ATOM 193 O O . LYS A 1 24 ? -2.182 -11.078 2.217 1.00 95.58 24 A 1 ATOM 194 C CB . LYS A 1 24 ? -2.979 -8.045 1.384 1.00 93.24 24 A 1 ATOM 195 C CG . LYS A 1 24 ? -4.247 -7.194 1.534 1.00 84.04 24 A 1 ATOM 196 C CD . LYS A 1 24 ? -4.582 -6.440 0.241 1.00 78.35 24 A 1 ATOM 197 C CE . LYS A 1 24 ? -5.869 -5.657 0.498 1.00 67.81 24 A 1 ATOM 198 N NZ . LYS A 1 24 ? -6.362 -4.917 -0.684 1.00 60.55 24 A 1 ATOM 199 N N . ILE A 1 25 ? -0.405 -9.734 2.356 1.00 96.73 25 A 1 ATOM 200 C CA . ILE A 1 25 ? 0.580 -10.808 2.195 1.00 97.47 25 A 1 ATOM 201 C C . ILE A 1 25 ? 0.539 -11.732 3.414 1.00 97.95 25 A 1 ATOM 202 O O . ILE A 1 25 ? 0.401 -12.940 3.228 1.00 97.88 25 A 1 ATOM 203 C CB . ILE A 1 25 ? 1.991 -10.249 1.911 1.00 97.46 25 A 1 ATOM 204 C CG1 . ILE A 1 25 ? 2.049 -9.630 0.494 1.00 96.50 25 A 1 ATOM 205 C CG2 . ILE A 1 25 ? 3.061 -11.357 2.020 1.00 96.26 25 A 1 ATOM 206 C CD1 . ILE A 1 25 ? 3.260 -8.717 0.275 1.00 94.16 25 A 1 ATOM 207 N N . PHE A 1 26 ? 0.583 -11.204 4.644 1.00 97.86 26 A 1 ATOM 208 C CA . PHE A 1 26 ? 0.545 -12.030 5.853 1.00 98.04 26 A 1 ATOM 209 C C . PHE A 1 26 ? -0.709 -12.907 5.923 1.00 97.99 26 A 1 ATOM 210 O O . PHE A 1 26 ? -0.583 -14.115 6.136 1.00 97.50 26 A 1 ATOM 211 C CB . PHE A 1 26 ? 0.664 -11.153 7.106 1.00 97.92 26 A 1 ATOM 212 C CG . PHE A 1 26 ? 1.980 -10.431 7.290 1.00 97.71 26 A 1 ATOM 213 C CD1 . PHE A 1 26 ? 3.196 -11.034 6.929 1.00 95.56 26 A 1 ATOM 214 C CD2 . PHE A 1 26 ? 1.995 -9.152 7.879 1.00 95.34 26 A 1 ATOM 215 C CE1 . PHE A 1 26 ? 4.412 -10.354 7.136 1.00 94.32 26 A 1 ATOM 216 C CE2 . PHE A 1 26 ? 3.205 -8.475 8.088 1.00 94.20 26 A 1 ATOM 217 C CZ . PHE A 1 26 ? 4.414 -9.073 7.714 1.00 95.06 26 A 1 ATOM 218 N N . LYS A 1 27 ? -1.900 -12.361 5.618 1.00 97.50 27 A 1 ATOM 219 C CA . LYS A 1 27 ? -3.167 -13.109 5.566 1.00 96.79 27 A 1 ATOM 220 C C . LYS A 1 27 ? -3.142 -14.292 4.588 1.00 96.80 27 A 1 ATOM 221 O O . LYS A 1 27 ? -3.870 -15.260 4.778 1.00 96.04 27 A 1 ATOM 222 C CB . LYS A 1 27 ? -4.329 -12.164 5.204 1.00 95.73 27 A 1 ATOM 223 C CG . LYS A 1 27 ? -4.796 -11.286 6.380 1.00 92.09 27 A 1 ATOM 224 C CD . LYS A 1 27 ? -6.019 -10.442 5.973 1.00 88.55 27 A 1 ATOM 225 C CE . LYS A 1 27 ? -6.657 -9.748 7.181 1.00 80.83 27 A 1 ATOM 226 N NZ . LYS A 1 27 ? -7.901 -9.008 6.843 1.00 74.84 27 A 1 ATOM 227 N N . ARG A 1 28 ? -2.325 -14.256 3.530 1.00 97.31 28 A 1 ATOM 228 C CA . ARG A 1 28 ? -2.204 -15.361 2.560 1.00 97.16 28 A 1 ATOM 229 C C . ARG A 1 28 ? -1.357 -16.534 3.062 1.00 97.41 28 A 1 ATOM 230 O O . ARG A 1 28 ? -1.490 -17.634 2.520 1.00 96.63 28 A 1 ATOM 231 C CB . ARG A 1 28 ? -1.630 -14.842 1.236 1.00 96.50 28 A 1 ATOM 232 C CG . ARG A 1 28 ? -2.634 -13.991 0.444 1.00 91.67 28 A 1 ATOM 233 C CD . ARG A 1 28 ? -1.982 -13.322 -0.773 1.00 88.65 28 A 1 ATOM 234 N NE . ARG A 1 28 ? -1.402 -14.309 -1.712 1.00 82.12 28 A 1 ATOM 235 C CZ . ARG A 1 28 ? -0.270 -14.146 -2.399 1.00 76.40 28 A 1 ATOM 236 N NH1 . ARG A 1 28 ? 0.320 -12.996 -2.489 1.00 67.10 28 A 1 ATOM 237 N NH2 . ARG A 1 28 ? 0.303 -15.151 -2.985 1.00 68.62 28 A 1 ATOM 238 N N . TYR A 1 29 ? -0.482 -16.312 4.035 1.00 97.97 29 A 1 ATOM 239 C CA . TYR A 1 29 ? 0.478 -17.317 4.502 1.00 97.89 29 A 1 ATOM 240 C C . TYR A 1 29 ? 0.222 -17.796 5.933 1.00 97.55 29 A 1 ATOM 241 O O . TYR A 1 29 ? 0.578 -18.930 6.262 1.00 96.19 29 A 1 ATOM 242 C CB . TYR A 1 29 ? 1.896 -16.749 4.385 1.00 97.87 29 A 1 ATOM 243 C CG . TYR A 1 29 ? 2.422 -16.643 2.968 1.00 98.11 29 A 1 ATOM 244 C CD1 . TYR A 1 29 ? 3.092 -17.733 2.373 1.00 97.03 29 A 1 ATOM 245 C CD2 . TYR A 1 29 ? 2.262 -15.452 2.235 1.00 97.02 29 A 1 ATOM 246 C CE1 . TYR A 1 29 ? 3.600 -17.631 1.067 1.00 96.39 29 A 1 ATOM 247 C CE2 . TYR A 1 29 ? 2.762 -15.339 0.928 1.00 96.48 29 A 1 ATOM 248 C CZ . TYR A 1 29 ? 3.435 -16.432 0.348 1.00 97.32 29 A 1 ATOM 249 O OH . TYR A 1 29 ? 3.938 -16.328 -0.923 1.00 96.37 29 A 1 ATOM 250 N N . LEU A 1 30 ? -0.344 -16.937 6.776 1.00 97.77 30 A 1 ATOM 251 C CA . LEU A 1 30 ? -0.448 -17.126 8.222 1.00 97.48 30 A 1 ATOM 252 C C . LEU A 1 30 ? -1.840 -16.723 8.723 1.00 96.99 30 A 1 ATOM 253 O O . LEU A 1 30 ? -2.615 -16.075 8.021 1.00 95.88 30 A 1 ATOM 254 C CB . LEU A 1 30 ? 0.656 -16.300 8.914 1.00 97.38 30 A 1 ATOM 255 C CG . LEU A 1 30 ? 2.103 -16.712 8.575 1.00 97.11 30 A 1 ATOM 256 C CD1 . LEU A 1 30 ? 3.087 -15.715 9.185 1.00 96.04 30 A 1 ATOM 257 C CD2 . LEU A 1 30 ? 2.448 -18.107 9.107 1.00 95.73 30 A 1 ATOM 258 N N . THR A 1 31 ? -2.151 -17.118 9.963 1.00 97.03 31 A 1 ATOM 259 C CA . THR A 1 31 ? -3.396 -16.760 10.646 1.00 96.48 31 A 1 ATOM 260 C C . THR A 1 31 ? -3.187 -15.486 11.452 1.00 96.75 31 A 1 ATOM 261 O O . THR A 1 31 ? -2.242 -15.404 12.232 1.00 96.11 31 A 1 ATOM 262 C CB . THR A 1 31 ? -3.873 -17.903 11.551 1.00 95.17 31 A 1 ATOM 263 O OG1 . THR A 1 31 ? -4.008 -19.082 10.782 1.00 91.36 31 A 1 ATOM 264 C CG2 . THR A 1 31 ? -5.234 -17.632 12.189 1.00 90.01 31 A 1 ATOM 265 N N . HIS A 1 32 ? -4.086 -14.519 11.294 1.00 95.73 32 A 1 ATOM 266 C CA . HIS A 1 32 ? -4.106 -13.298 12.099 1.00 95.42 32 A 1 ATOM 267 C C . HIS A 1 32 ? -4.621 -13.621 13.506 1.00 94.61 32 A 1 ATOM 268 O O . HIS A 1 32 ? -5.710 -14.176 13.649 1.00 92.68 32 A 1 ATOM 269 C CB . HIS A 1 32 ? -4.980 -12.254 11.393 1.00 94.86 32 A 1 ATOM 270 C CG . HIS A 1 32 ? -4.879 -10.874 11.978 1.00 94.60 32 A 1 ATOM 271 N ND1 . HIS A 1 32 ? -5.902 -9.938 11.985 1.00 86.36 32 A 1 ATOM 272 C CD2 . HIS A 1 32 ? -3.764 -10.286 12.506 1.00 86.30 32 A 1 ATOM 273 C CE1 . HIS A 1 32 ? -5.401 -8.817 12.495 1.00 87.79 32 A 1 ATOM 274 N NE2 . HIS A 1 32 ? -4.115 -8.994 12.827 1.00 88.79 32 A 1 ATOM 275 N N . VAL A 1 33 ? -3.819 -13.349 14.528 1.00 94.32 33 A 1 ATOM 276 C CA . VAL A 1 33 ? -4.121 -13.692 15.931 1.00 93.18 33 A 1 ATOM 277 C C . VAL A 1 33 ? -4.648 -12.480 16.686 1.00 92.53 33 A 1 ATOM 278 O O . VAL A 1 33 ? -5.637 -12.578 17.412 1.00 88.91 33 A 1 ATOM 279 C CB . VAL A 1 33 ? -2.875 -14.264 16.631 1.00 91.60 33 A 1 ATOM 280 C CG1 . VAL A 1 33 ? -3.139 -14.615 18.101 1.00 84.55 33 A 1 ATOM 281 C CG2 . VAL A 1 33 ? -2.407 -15.541 15.922 1.00 85.16 33 A 1 ATOM 282 N N . GLN A 1 34 ? -3.967 -11.358 16.529 1.00 93.13 34 A 1 ATOM 283 C CA . GLN A 1 34 ? -4.323 -10.055 17.080 1.00 93.39 34 A 1 ATOM 284 C C . GLN A 1 34 ? -3.609 -8.970 16.273 1.00 94.55 34 A 1 ATOM 285 O O . GLN A 1 34 ? -2.762 -9.281 15.429 1.00 93.74 34 A 1 ATOM 286 C CB . GLN A 1 34 ? -3.952 -9.986 18.576 1.00 90.27 34 A 1 ATOM 287 C CG . GLN A 1 34 ? -2.439 -10.068 18.842 1.00 85.10 34 A 1 ATOM 288 C CD . GLN A 1 34 ? -2.090 -9.895 20.320 1.00 83.20 34 A 1 ATOM 289 O OE1 . GLN A 1 34 ? -2.839 -10.218 21.221 1.00 76.03 34 A 1 ATOM 290 N NE2 . GLN A 1 34 ? -0.930 -9.364 20.624 1.00 72.29 34 A 1 ATOM 291 N N . LYS A 1 35 ? -3.908 -7.717 16.554 1.00 93.70 35 A 1 ATOM 292 C CA . LYS A 1 35 ? -3.240 -6.579 15.918 1.00 94.33 35 A 1 ATOM 293 C C . LYS A 1 35 ? -1.715 -6.755 15.890 1.00 95.27 35 A 1 ATOM 294 O O . LYS A 1 35 ? -1.097 -7.044 16.914 1.00 94.11 35 A 1 ATOM 295 C CB . LYS A 1 35 ? -3.656 -5.292 16.641 1.00 92.73 35 A 1 ATOM 296 C CG . LYS A 1 35 ? -3.153 -4.055 15.896 1.00 85.32 35 A 1 ATOM 297 C CD . LYS A 1 35 ? -3.810 -2.774 16.401 1.00 82.18 35 A 1 ATOM 298 C CE . LYS A 1 35 ? -3.316 -1.616 15.528 1.00 74.16 35 A 1 ATOM 299 N NZ . LYS A 1 35 ? -4.218 -0.441 15.585 1.00 66.91 35 A 1 ATOM 300 N N . SER A 1 36 ? -1.142 -6.590 14.701 1.00 95.66 36 A 1 ATOM 301 C CA . SER A 1 36 ? 0.296 -6.716 14.415 1.00 96.43 36 A 1 ATOM 302 C C . SER A 1 36 ? 0.910 -8.111 14.630 1.00 97.03 36 A 1 ATOM 303 O O . SER A 1 36 ? 2.135 -8.250 14.566 1.00 95.92 36 A 1 ATOM 304 C CB . SER A 1 36 ? 1.097 -5.627 15.140 1.00 95.14 36 A 1 ATOM 305 O OG . SER A 1 36 ? 0.530 -4.346 14.924 1.00 86.06 36 A 1 ATOM 306 N N . VAL A 1 37 ? 0.105 -9.168 14.868 1.00 97.00 37 A 1 ATOM 307 C CA . VAL A 1 37 ? 0.603 -10.523 15.165 1.00 96.88 37 A 1 ATOM 308 C C . VAL A 1 37 ? -0.056 -11.573 14.277 1.00 96.99 37 A 1 ATOM 309 O O . VAL A 1 37 ? -1.274 -11.757 14.274 1.00 96.40 37 A 1 ATOM 310 C CB . VAL A 1 37 ? 0.446 -10.892 16.652 1.00 95.90 37 A 1 ATOM 311 C CG1 . VAL A 1 37 ? 1.087 -12.253 16.965 1.00 93.48 37 A 1 ATOM 312 C CG2 . VAL A 1 37 ? 1.110 -9.856 17.569 1.00 93.56 37 A 1 ATOM 313 N N . PHE A 1 38 ? 0.779 -12.346 13.584 1.00 97.19 38 A 1 ATOM 314 C CA . PHE A 1 38 ? 0.393 -13.510 12.801 1.00 97.27 38 A 1 ATOM 315 C C . PHE A 1 38 ? 1.109 -14.756 13.303 1.00 97.00 38 A 1 ATOM 316 O O . PHE A 1 38 ? 2.265 -14.706 13.722 1.00 96.46 38 A 1 ATOM 317 C CB . PHE A 1 38 ? 0.696 -13.274 11.323 1.00 97.38 38 A 1 ATOM 318 C CG . PHE A 1 38 ? -0.248 -12.302 10.657 1.00 97.44 38 A 1 ATOM 319 C CD1 . PHE A 1 38 ? -1.341 -12.783 9.912 1.00 96.20 38 A 1 ATOM 320 C CD2 . PHE A 1 38 ? -0.052 -10.918 10.789 1.00 96.18 38 A 1 ATOM 321 C CE1 . PHE A 1 38 ? -2.231 -11.892 9.304 1.00 95.69 38 A 1 ATOM 322 C CE2 . PHE A 1 38 ? -0.946 -10.020 10.188 1.00 95.62 38 A 1 ATOM 323 C CZ . PHE A 1 38 ? -2.036 -10.510 9.447 1.00 96.31 38 A 1 ATOM 324 N N . GLU A 1 39 ? 0.454 -15.913 13.213 1.00 96.25 39 A 1 ATOM 325 C CA . GLU A 1 39 ? 1.080 -17.199 13.510 1.00 95.94 39 A 1 ATOM 326 C C . GLU A 1 39 ? 0.545 -18.317 12.617 1.00 96.43 39 A 1 ATOM 327 O O . GLU A 1 39 ? -0.520 -18.217 12.010 1.00 95.85 39 A 1 ATOM 328 C CB . GLU A 1 39 ? 0.967 -17.533 15.006 1.00 93.36 39 A 1 ATOM 329 C CG . GLU A 1 39 ? -0.455 -17.839 15.480 1.00 84.08 39 A 1 ATOM 330 C CD . GLU A 1 39 ? -0.528 -18.169 16.986 1.00 85.91 39 A 1 ATOM 331 O OE1 . GLU A 1 39 ? -1.517 -18.781 17.430 1.00 79.58 39 A 1 ATOM 332 O OE2 . GLU A 1 39 ? 0.376 -17.787 17.759 1.00 81.49 39 A 1 ATOM 333 N N . GLY A 1 40 ? 1.296 -19.419 12.524 1.00 96.23 40 A 1 ATOM 334 C CA . GLY A 1 40 ? 0.836 -20.601 11.816 1.00 95.86 40 A 1 ATOM 335 C C . GLY A 1 40 ? 1.947 -21.549 11.399 1.00 96.24 40 A 1 ATOM 336 O O . GLY A 1 40 ? 3.145 -21.286 11.559 1.00 95.71 40 A 1 ATOM 337 N N . GLU A 1 41 ? 1.529 -22.693 10.817 1.00 95.75 41 A 1 ATOM 338 C CA . GLU A 1 41 ? 2.458 -23.620 10.187 1.00 95.78 41 A 1 ATOM 339 C C . GLU A 1 41 ? 2.851 -23.139 8.790 1.00 96.43 41 A 1 ATOM 340 O O . GLU A 1 41 ? 2.019 -22.865 7.928 1.00 95.98 41 A 1 ATOM 341 C CB . GLU A 1 41 ? 1.909 -25.045 10.126 1.00 94.45 41 A 1 ATOM 342 C CG . GLU A 1 41 ? 1.819 -25.699 11.513 1.00 83.45 41 A 1 ATOM 343 C CD . GLU A 1 41 ? 1.887 -27.228 11.449 1.00 78.39 41 A 1 ATOM 344 O OE1 . GLU A 1 41 ? 2.320 -27.821 12.467 1.00 71.37 41 A 1 ATOM 345 O OE2 . GLU A 1 41 ? 1.626 -27.805 10.371 1.00 70.53 41 A 1 ATOM 346 N N . ILE A 1 42 ? 4.156 -23.111 8.536 1.00 95.91 42 A 1 ATOM 347 C CA . ILE A 1 42 ? 4.708 -22.743 7.238 1.00 96.65 42 A 1 ATOM 348 C C . ILE A 1 42 ? 5.942 -23.593 6.932 1.00 96.84 42 A 1 ATOM 349 O O . ILE A 1 42 ? 6.739 -23.933 7.807 1.00 96.27 42 A 1 ATOM 350 C CB . ILE A 1 42 ? 4.959 -21.221 7.188 1.00 96.69 42 A 1 ATOM 351 C CG1 . ILE A 1 42 ? 5.214 -20.751 5.746 1.00 95.32 42 A 1 ATOM 352 C CG2 . ILE A 1 42 ? 6.087 -20.792 8.139 1.00 93.66 42 A 1 ATOM 353 C CD1 . ILE A 1 42 ? 5.170 -19.231 5.571 1.00 94.18 42 A 1 ATOM 354 N N . THR A 1 43 ? 6.108 -23.972 5.662 1.00 96.93 43 A 1 ATOM 355 C CA . THR A 1 43 ? 7.336 -24.655 5.242 1.00 97.06 43 A 1 ATOM 356 C C . THR A 1 43 ? 8.485 -23.647 5.120 1.00 97.21 43 A 1 ATOM 357 O O . THR A 1 43 ? 8.241 -22.478 4.808 1.00 96.99 43 A 1 ATOM 358 C CB . THR A 1 43 ? 7.159 -25.446 3.940 1.00 96.83 43 A 1 ATOM 359 O OG1 . THR A 1 43 ? 7.000 -24.586 2.844 1.00 93.74 43 A 1 ATOM 360 C CG2 . THR A 1 43 ? 5.969 -26.404 3.977 1.00 92.18 43 A 1 ATOM 361 N N . PRO A 1 44 ? 9.750 -24.072 5.276 1.00 96.36 44 A 1 ATOM 362 C CA . PRO A 1 44 ? 10.890 -23.173 5.060 1.00 95.93 44 A 1 ATOM 363 C C . PRO A 1 44 ? 10.891 -22.508 3.675 1.00 96.64 44 A 1 ATOM 364 O O . PRO A 1 44 ? 11.226 -21.335 3.556 1.00 96.30 44 A 1 ATOM 365 C CB . PRO A 1 44 ? 12.134 -24.045 5.260 1.00 94.64 44 A 1 ATOM 366 C CG . PRO A 1 44 ? 11.651 -25.145 6.208 1.00 92.84 44 A 1 ATOM 367 C CD . PRO A 1 44 ? 10.199 -25.361 5.776 1.00 94.83 44 A 1 ATOM 368 N N . ALA A 1 45 ? 10.461 -23.240 2.629 1.00 97.09 45 A 1 ATOM 369 C CA . ALA A 1 45 ? 10.357 -22.698 1.273 1.00 97.54 45 A 1 ATOM 370 C C . ALA A 1 45 ? 9.283 -21.599 1.157 1.00 97.89 45 A 1 ATOM 371 O O . ALA A 1 45 ? 9.509 -20.582 0.504 1.00 97.51 45 A 1 ATOM 372 C CB . ALA A 1 45 ? 10.073 -23.860 0.311 1.00 97.18 45 A 1 ATOM 373 N N . LEU A 1 46 ? 8.125 -21.782 1.812 1.00 97.97 46 A 1 ATOM 374 C CA . LEU A 1 46 ? 7.067 -20.767 1.841 1.00 97.92 46 A 1 ATOM 375 C C . LEU A 1 46 ? 7.475 -19.549 2.678 1.00 98.06 46 A 1 ATOM 376 O O . LEU A 1 46 ? 7.145 -18.440 2.284 1.00 97.73 46 A 1 ATOM 377 C CB . LEU A 1 46 ? 5.754 -21.377 2.354 1.00 97.68 46 A 1 ATOM 378 C CG . LEU A 1 46 ? 5.047 -22.314 1.357 1.00 94.50 46 A 1 ATOM 379 C CD1 . LEU A 1 46 ? 3.847 -22.974 2.039 1.00 90.21 46 A 1 ATOM 380 C CD2 . LEU A 1 46 ? 4.543 -21.577 0.117 1.00 90.72 46 A 1 ATOM 381 N N . LEU A 1 47 ? 8.243 -19.731 3.764 1.00 97.75 47 A 1 ATOM 382 C CA . LEU A 1 47 ? 8.774 -18.605 4.540 1.00 97.50 47 A 1 ATOM 383 C C . LEU A 1 47 ? 9.748 -17.751 3.711 1.00 97.62 47 A 1 ATOM 384 O O . LEU A 1 47 ? 9.689 -16.527 3.760 1.00 97.20 47 A 1 ATOM 385 C CB . LEU A 1 47 ? 9.443 -19.133 5.820 1.00 96.94 47 A 1 ATOM 386 C CG . LEU A 1 47 ? 9.919 -18.011 6.770 1.00 95.83 47 A 1 ATOM 387 C CD1 . LEU A 1 47 ? 8.755 -17.208 7.341 1.00 93.70 47 A 1 ATOM 388 C CD2 . LEU A 1 47 ? 10.697 -18.614 7.940 1.00 93.14 47 A 1 ATOM 389 N N . VAL A 1 48 ? 10.603 -18.389 2.902 1.00 97.50 48 A 1 ATOM 390 C CA . VAL A 1 48 ? 11.475 -17.664 1.962 1.00 97.44 48 A 1 ATOM 391 C C . VAL A 1 48 ? 10.642 -16.900 0.934 1.00 97.77 48 A 1 ATOM 392 O O . VAL A 1 48 ? 10.926 -15.738 0.661 1.00 97.52 48 A 1 ATOM 393 C CB . VAL A 1 48 ? 12.464 -18.619 1.269 1.00 96.91 48 A 1 ATOM 394 C CG1 . VAL A 1 48 ? 13.260 -17.942 0.149 1.00 93.05 48 A 1 ATOM 395 C CG2 . VAL A 1 48 ? 13.481 -19.168 2.276 1.00 93.13 48 A 1 ATOM 396 N N . LYS A 1 49 ? 9.582 -17.523 0.394 1.00 97.91 49 A 1 ATOM 397 C CA . LYS A 1 49 ? 8.678 -16.863 -0.555 1.00 97.91 49 A 1 ATOM 398 C C . LYS A 1 49 ? 7.957 -15.668 0.075 1.00 98.02 49 A 1 ATOM 399 O O . LYS A 1 49 ? 7.906 -14.613 -0.553 1.00 97.65 49 A 1 ATOM 400 C CB . LYS A 1 49 ? 7.701 -17.894 -1.129 1.00 97.62 49 A 1 ATOM 401 C CG . LYS A 1 49 ? 6.883 -17.288 -2.276 1.00 86.65 49 A 1 ATOM 402 C CD . LYS A 1 49 ? 5.881 -18.297 -2.835 1.00 84.56 49 A 1 ATOM 403 C CE . LYS A 1 49 ? 5.036 -17.577 -3.881 1.00 74.50 49 A 1 ATOM 404 N NZ . LYS A 1 49 ? 3.900 -18.401 -4.353 1.00 66.85 49 A 1 ATOM 405 N N . LEU A 1 50 ? 7.455 -15.818 1.308 1.00 98.02 50 A 1 ATOM 406 C CA . LEU A 1 50 ? 6.854 -14.727 2.082 1.00 97.96 50 A 1 ATOM 407 C C . LEU A 1 50 ? 7.833 -13.556 2.209 1.00 97.95 50 A 1 ATOM 408 O O . LEU A 1 50 ? 7.485 -12.435 1.853 1.00 97.30 50 A 1 ATOM 409 C CB . LEU A 1 50 ? 6.415 -15.270 3.459 1.00 97.65 50 A 1 ATOM 410 C CG . LEU A 1 50 ? 5.955 -14.195 4.468 1.00 96.73 50 A 1 ATOM 411 C CD1 . LEU A 1 50 ? 4.749 -13.410 3.971 1.00 92.89 50 A 1 ATOM 412 C CD2 . LEU A 1 50 ? 5.564 -14.854 5.790 1.00 92.39 50 A 1 ATOM 413 N N . ARG A 1 51 ? 9.070 -13.830 2.633 1.00 97.76 51 A 1 ATOM 414 C CA . ARG A 1 51 ? 10.106 -12.798 2.743 1.00 97.50 51 A 1 ATOM 415 C C . ARG A 1 51 ? 10.358 -12.090 1.411 1.00 97.56 51 A 1 ATOM 416 O O . ARG A 1 51 ? 10.403 -10.871 1.385 1.00 96.94 51 A 1 ATOM 417 C CB . ARG A 1 51 ? 11.381 -13.416 3.327 1.00 96.46 51 A 1 ATOM 418 C CG . ARG A 1 51 ? 12.458 -12.341 3.531 1.00 91.94 51 A 1 ATOM 419 C CD . ARG A 1 51 ? 13.678 -12.927 4.235 1.00 85.95 51 A 1 ATOM 420 N NE . ARG A 1 51 ? 14.703 -11.895 4.396 1.00 75.93 51 A 1 ATOM 421 C CZ . ARG A 1 51 ? 15.797 -11.975 5.131 1.00 68.75 51 A 1 ATOM 422 N NH1 . ARG A 1 51 ? 16.096 -13.060 5.798 1.00 63.85 51 A 1 ATOM 423 N NH2 . ARG A 1 51 ? 16.598 -10.956 5.200 1.00 60.37 51 A 1 ATOM 424 N N . MET A 1 52 ? 10.450 -12.828 0.296 1.00 97.65 52 A 1 ATOM 425 C CA . MET A 1 52 ? 10.642 -12.235 -1.036 1.00 97.54 52 A 1 ATOM 426 C C . MET A 1 52 ? 9.463 -11.358 -1.488 1.00 97.55 52 A 1 ATOM 427 O O . MET A 1 52 ? 9.665 -10.422 -2.263 1.00 96.64 52 A 1 ATOM 428 C CB . MET A 1 52 ? 10.838 -13.339 -2.080 1.00 97.22 52 A 1 ATOM 429 C CG . MET A 1 52 ? 12.179 -14.067 -1.972 1.00 88.86 52 A 1 ATOM 430 S SD . MET A 1 52 ? 12.382 -15.386 -3.220 1.00 80.32 52 A 1 ATOM 431 C CE . MET A 1 52 ? 12.518 -14.373 -4.724 1.00 68.17 52 A 1 ATOM 432 N N . GLU A 1 53 ? 8.230 -11.678 -1.081 1.00 98.03 53 A 1 ATOM 433 C CA . GLU A 1 53 ? 7.068 -10.819 -1.348 1.00 97.69 53 A 1 ATOM 434 C C . GLU A 1 53 ? 7.125 -9.543 -0.490 1.00 97.55 53 A 1 ATOM 435 O O . GLU A 1 53 ? 6.845 -8.464 -1.010 1.00 96.47 53 A 1 ATOM 436 C CB . GLU A 1 53 ? 5.735 -11.592 -1.170 1.00 97.35 53 A 1 ATOM 437 C CG . GLU A 1 53 ? 5.471 -12.607 -2.303 1.00 94.50 53 A 1 ATOM 438 C CD . GLU A 1 53 ? 4.079 -13.299 -2.286 1.00 93.90 53 A 1 ATOM 439 O OE1 . GLU A 1 53 ? 3.980 -14.487 -2.681 1.00 87.61 53 A 1 ATOM 440 O OE2 . GLU A 1 53 ? 3.040 -12.674 -1.969 1.00 88.62 53 A 1 ATOM 441 N N . LEU A 1 54 ? 7.545 -9.660 0.781 1.00 97.89 54 A 1 ATOM 442 C CA . LEU A 1 54 ? 7.688 -8.527 1.704 1.00 97.54 54 A 1 ATOM 443 C C . LEU A 1 54 ? 8.810 -7.564 1.313 1.00 97.25 54 A 1 ATOM 444 O O . LEU A 1 54 ? 8.615 -6.357 1.414 1.00 96.18 54 A 1 ATOM 445 C CB . LEU A 1 54 ? 7.941 -9.039 3.128 1.00 96.88 54 A 1 ATOM 446 C CG . LEU A 1 54 ? 6.756 -9.778 3.763 1.00 94.09 54 A 1 ATOM 447 C CD1 . LEU A 1 54 ? 7.207 -10.384 5.092 1.00 90.88 54 A 1 ATOM 448 C CD2 . LEU A 1 54 ? 5.574 -8.849 4.008 1.00 90.36 54 A 1 ATOM 449 N N . ASP A 1 55 ? 9.936 -8.075 0.806 1.00 97.08 55 A 1 ATOM 450 C CA . ASP A 1 55 ? 11.106 -7.270 0.417 1.00 96.46 55 A 1 ATOM 451 C C . ASP A 1 55 ? 10.772 -6.198 -0.643 1.00 96.15 55 A 1 ATOM 452 O O . ASP A 1 55 ? 11.534 -5.257 -0.841 1.00 94.67 55 A 1 ATOM 453 C CB . ASP A 1 55 ? 12.229 -8.189 -0.109 1.00 95.43 55 A 1 ATOM 454 C CG . ASP A 1 55 ? 12.971 -9.042 0.943 1.00 85.84 55 A 1 ATOM 455 O OD1 . ASP A 1 55 ? 12.897 -8.759 2.157 1.00 79.94 55 A 1 ATOM 456 O OD2 . ASP A 1 55 ? 13.667 -10.004 0.527 1.00 79.20 55 A 1 ATOM 457 N N . LYS A 1 56 ? 9.622 -6.309 -1.319 1.00 95.75 56 A 1 ATOM 458 C CA . LYS A 1 56 ? 9.122 -5.300 -2.267 1.00 94.74 56 A 1 ATOM 459 C C . LYS A 1 56 ? 8.483 -4.086 -1.586 1.00 94.75 56 A 1 ATOM 460 O O . LYS A 1 56 ? 8.270 -3.080 -2.258 1.00 92.38 56 A 1 ATOM 461 C CB . LYS A 1 56 ? 8.077 -5.932 -3.193 1.00 92.96 56 A 1 ATOM 462 C CG . LYS A 1 56 ? 8.650 -7.073 -4.035 1.00 83.06 56 A 1 ATOM 463 C CD . LYS A 1 56 ? 7.538 -7.641 -4.915 1.00 77.84 56 A 1 ATOM 464 C CE . LYS A 1 56 ? 8.072 -8.814 -5.728 1.00 66.82 56 A 1 ATOM 465 N NZ . LYS A 1 56 ? 6.999 -9.403 -6.557 1.00 59.26 56 A 1 ATOM 466 N N . TYR A 1 57 ? 8.106 -4.220 -0.314 1.00 95.57 57 A 1 ATOM 467 C CA . TYR A 1 57 ? 7.334 -3.216 0.417 1.00 95.21 57 A 1 ATOM 468 C C . TYR A 1 57 ? 8.052 -2.726 1.673 1.00 95.42 57 A 1 ATOM 469 O O . TYR A 1 57 ? 8.020 -1.531 1.955 1.00 93.94 57 A 1 ATOM 470 C CB . TYR A 1 57 ? 5.960 -3.798 0.775 1.00 94.30 57 A 1 ATOM 471 C CG . TYR A 1 57 ? 5.119 -4.196 -0.418 1.00 93.90 57 A 1 ATOM 472 C CD1 . TYR A 1 57 ? 4.491 -3.212 -1.205 1.00 91.67 57 A 1 ATOM 473 C CD2 . TYR A 1 57 ? 4.968 -5.554 -0.759 1.00 91.56 57 A 1 ATOM 474 C CE1 . TYR A 1 57 ? 3.718 -3.575 -2.316 1.00 90.12 57 A 1 ATOM 475 C CE2 . TYR A 1 57 ? 4.197 -5.930 -1.869 1.00 90.05 57 A 1 ATOM 476 C CZ . TYR A 1 57 ? 3.570 -4.936 -2.647 1.00 90.62 57 A 1 ATOM 477 O OH . TYR A 1 57 ? 2.806 -5.302 -3.734 1.00 88.62 57 A 1 ATOM 478 N N . ILE A 1 58 ? 8.691 -3.631 2.414 1.00 96.50 58 A 1 ATOM 479 C CA . ILE A 1 58 ? 9.369 -3.318 3.674 1.00 96.61 58 A 1 ATOM 480 C C . ILE A 1 58 ? 10.543 -2.369 3.422 1.00 96.65 58 A 1 ATOM 481 O O . ILE A 1 58 ? 11.434 -2.659 2.631 1.00 95.79 58 A 1 ATOM 482 C CB . ILE A 1 58 ? 9.822 -4.607 4.384 1.00 96.00 58 A 1 ATOM 483 C CG1 . ILE A 1 58 ? 8.625 -5.486 4.812 1.00 91.82 58 A 1 ATOM 484 C CG2 . ILE A 1 58 ? 10.722 -4.326 5.602 1.00 91.53 58 A 1 ATOM 485 C CD1 . ILE A 1 58 ? 7.698 -4.876 5.870 1.00 83.32 58 A 1 ATOM 486 N N . ARG A 1 59 ? 10.554 -1.268 4.159 1.00 96.01 59 A 1 ATOM 487 C CA . ARG A 1 59 ? 11.603 -0.253 4.146 1.00 95.32 59 A 1 ATOM 488 C C . ARG A 1 59 ? 12.493 -0.481 5.368 1.00 95.35 59 A 1 ATOM 489 O O . ARG A 1 59 ? 12.047 -0.337 6.500 1.00 94.41 59 A 1 ATOM 490 C CB . ARG A 1 59 ? 10.955 1.136 4.147 1.00 93.66 59 A 1 ATOM 491 C CG . ARG A 1 59 ? 10.028 1.369 2.942 1.00 92.82 59 A 1 ATOM 492 C CD . ARG A 1 59 ? 9.064 2.519 3.195 1.00 91.43 59 A 1 ATOM 493 N NE . ARG A 1 59 ? 8.165 2.228 4.312 1.00 90.53 59 A 1 ATOM 494 C CZ . ARG A 1 59 ? 7.333 3.071 4.905 1.00 91.44 59 A 1 ATOM 495 N NH1 . ARG A 1 59 ? 7.165 4.286 4.482 1.00 85.15 59 A 1 ATOM 496 N NH2 . ARG A 1 59 ? 6.648 2.686 5.944 1.00 87.15 59 A 1 ATOM 497 N N . SER A 1 60 ? 13.736 -0.871 5.133 1.00 95.54 60 A 1 ATOM 498 C CA . SER A 1 60 ? 14.646 -1.347 6.188 1.00 94.99 60 A 1 ATOM 499 C C . SER A 1 60 ? 14.998 -0.312 7.260 1.00 95.30 60 A 1 ATOM 500 O O . SER A 1 60 ? 15.507 -0.678 8.314 1.00 92.95 60 A 1 ATOM 501 C CB . SER A 1 60 ? 15.942 -1.852 5.554 1.00 93.58 60 A 1 ATOM 502 O OG . SER A 1 60 ? 16.539 -0.875 4.720 1.00 81.36 60 A 1 ATOM 503 N N . ASP A 1 61 ? 14.767 0.959 6.978 1.00 95.08 61 A 1 ATOM 504 C CA . ASP A 1 61 ? 15.016 2.106 7.842 1.00 94.45 61 A 1 ATOM 505 C C . ASP A 1 61 ? 13.781 2.535 8.652 1.00 94.59 61 A 1 ATOM 506 O O . ASP A 1 61 ? 13.933 3.216 9.664 1.00 91.41 61 A 1 ATOM 507 C CB . ASP A 1 61 ? 15.532 3.259 6.964 1.00 92.77 61 A 1 ATOM 508 C CG . ASP A 1 61 ? 14.566 3.675 5.838 1.00 86.35 61 A 1 ATOM 509 O OD1 . ASP A 1 61 ? 13.991 2.770 5.186 1.00 77.95 61 A 1 ATOM 510 O OD2 . ASP A 1 61 ? 14.443 4.895 5.614 1.00 79.87 61 A 1 ATOM 511 N N . MET A 1 62 ? 12.571 2.114 8.252 1.00 94.99 62 A 1 ATOM 512 C CA . MET A 1 62 ? 11.305 2.550 8.861 1.00 94.08 62 A 1 ATOM 513 C C . MET A 1 62 ? 10.443 1.411 9.396 1.00 95.06 62 A 1 ATOM 514 O O . MET A 1 62 ? 9.716 1.599 10.372 1.00 93.17 62 A 1 ATOM 515 C CB . MET A 1 62 ? 10.499 3.356 7.836 1.00 90.30 62 A 1 ATOM 516 C CG . MET A 1 62 ? 11.112 4.729 7.560 1.00 84.33 62 A 1 ATOM 517 S SD . MET A 1 62 ? 10.110 5.762 6.455 1.00 81.67 62 A 1 ATOM 518 C CE . MET A 1 62 ? 10.692 5.130 4.871 1.00 71.85 62 A 1 ATOM 519 N N . ASP A 1 63 ? 10.499 0.233 8.766 1.00 96.32 63 A 1 ATOM 520 C CA . ASP A 1 63 ? 9.597 -0.873 9.052 1.00 96.76 63 A 1 ATOM 521 C C . ASP A 1 63 ? 10.339 -2.016 9.751 1.00 97.03 63 A 1 ATOM 522 O O . ASP A 1 63 ? 11.513 -2.287 9.486 1.00 96.10 63 A 1 ATOM 523 C CB . ASP A 1 63 ? 8.931 -1.363 7.761 1.00 96.34 63 A 1 ATOM 524 C CG . ASP A 1 63 ? 8.259 -0.257 6.940 1.00 96.22 63 A 1 ATOM 525 O OD1 . ASP A 1 63 ? 7.568 0.617 7.504 1.00 93.84 63 A 1 ATOM 526 O OD2 . ASP A 1 63 ? 8.388 -0.283 5.695 1.00 93.93 63 A 1 ATOM 527 N N . SER A 1 64 ? 9.635 -2.754 10.627 1.00 97.26 64 A 1 ATOM 528 C CA . SER A 1 64 ? 10.188 -3.874 11.384 1.00 97.37 64 A 1 ATOM 529 C C . SER A 1 64 ? 9.324 -5.122 11.248 1.00 97.69 64 A 1 ATOM 530 O O . SER A 1 64 ? 8.108 -5.085 11.402 1.00 96.85 64 A 1 ATOM 531 C CB . SER A 1 64 ? 10.351 -3.473 12.853 1.00 95.86 64 A 1 ATOM 532 O OG . SER A 1 64 ? 10.965 -4.517 13.591 1.00 81.98 64 A 1 ATOM 533 N N . VAL A 1 65 ? 9.962 -6.268 10.993 1.00 97.56 65 A 1 ATOM 534 C CA . VAL A 1 65 ? 9.318 -7.587 11.005 1.00 97.59 65 A 1 ATOM 535 C C . VAL A 1 65 ? 10.185 -8.555 11.804 1.00 97.68 65 A 1 ATOM 536 O O . VAL A 1 65 ? 11.323 -8.844 11.437 1.00 96.85 65 A 1 ATOM 537 C CB . VAL A 1 65 ? 9.057 -8.121 9.585 1.00 97.11 65 A 1 ATOM 538 C CG1 . VAL A 1 65 ? 8.326 -9.469 9.629 1.00 95.63 65 A 1 ATOM 539 C CG2 . VAL A 1 65 ? 8.201 -7.161 8.752 1.00 95.49 65 A 1 ATOM 540 N N . ILE A 1 66 ? 9.625 -9.099 12.892 1.00 97.65 66 A 1 ATOM 541 C CA . ILE A 1 66 ? 10.287 -10.069 13.766 1.00 97.41 66 A 1 ATOM 542 C C . ILE A 1 66 ? 9.624 -11.430 13.570 1.00 97.38 66 A 1 ATOM 543 O O . ILE A 1 66 ? 8.415 -11.572 13.721 1.00 96.75 66 A 1 ATOM 544 C CB . ILE A 1 66 ? 10.257 -9.613 15.242 1.00 96.72 66 A 1 ATOM 545 C CG1 . ILE A 1 66 ? 10.876 -8.201 15.403 1.00 92.76 66 A 1 ATOM 546 C CG2 . ILE A 1 66 ? 11.005 -10.641 16.112 1.00 92.44 66 A 1 ATOM 547 C CD1 . ILE A 1 66 ? 10.789 -7.637 16.828 1.00 89.50 66 A 1 ATOM 548 N N . VAL A 1 67 ? 10.416 -12.459 13.261 1.00 97.37 67 A 1 ATOM 549 C CA . VAL A 1 67 ? 9.933 -13.828 13.051 1.00 97.09 67 A 1 ATOM 550 C C . VAL A 1 67 ? 10.573 -14.767 14.065 1.00 96.77 67 A 1 ATOM 551 O O . VAL A 1 67 ? 11.771 -15.047 14.010 1.00 95.70 67 A 1 ATOM 552 C CB . VAL A 1 67 ? 10.180 -14.304 11.608 1.00 96.50 67 A 1 ATOM 553 C CG1 . VAL A 1 67 ? 9.573 -15.697 11.382 1.00 94.28 67 A 1 ATOM 554 C CG2 . VAL A 1 67 ? 9.563 -13.349 10.578 1.00 94.31 67 A 1 ATOM 555 N N . PHE A 1 68 ? 9.754 -15.313 14.967 1.00 96.28 68 A 1 ATOM 556 C CA . PHE A 1 68 ? 10.121 -16.436 15.821 1.00 95.84 68 A 1 ATOM 557 C C . PHE A 1 68 ? 9.757 -17.738 15.115 1.00 95.89 68 A 1 ATOM 558 O O . PHE A 1 68 ? 8.681 -17.855 14.537 1.00 94.99 68 A 1 ATOM 559 C CB . PHE A 1 68 ? 9.423 -16.321 17.179 1.00 94.87 68 A 1 ATOM 560 C CG . PHE A 1 68 ? 9.749 -15.037 17.911 1.00 92.90 68 A 1 ATOM 561 C CD1 . PHE A 1 68 ? 10.892 -14.957 18.725 1.00 87.82 68 A 1 ATOM 562 C CD2 . PHE A 1 68 ? 8.925 -13.908 17.761 1.00 87.06 68 A 1 ATOM 563 C CE1 . PHE A 1 68 ? 11.207 -13.764 19.391 1.00 85.32 68 A 1 ATOM 564 C CE2 . PHE A 1 68 ? 9.239 -12.710 18.421 1.00 85.03 68 A 1 ATOM 565 C CZ . PHE A 1 68 ? 10.378 -12.639 19.238 1.00 86.78 68 A 1 ATOM 566 N N . SER A 1 69 ? 10.630 -18.740 15.158 1.00 95.62 69 A 1 ATOM 567 C CA . SER A 1 69 ? 10.379 -20.028 14.515 1.00 94.99 69 A 1 ATOM 568 C C . SER A 1 69 ? 10.685 -21.199 15.437 1.00 94.69 69 A 1 ATOM 569 O O . SER A 1 69 ? 11.683 -21.219 16.158 1.00 92.30 69 A 1 ATOM 570 C CB . SER A 1 69 ? 11.124 -20.128 13.177 1.00 92.63 69 A 1 ATOM 571 O OG . SER A 1 69 ? 12.528 -20.134 13.353 1.00 82.20 69 A 1 ATOM 572 N N . SER A 1 70 ? 9.824 -22.218 15.375 1.00 94.57 70 A 1 ATOM 573 C CA . SER A 1 70 ? 9.982 -23.490 16.070 1.00 93.59 70 A 1 ATOM 574 C C . SER A 1 70 ? 9.815 -24.648 15.086 1.00 93.88 70 A 1 ATOM 575 O O . SER A 1 70 ? 9.144 -24.541 14.059 1.00 91.96 70 A 1 ATOM 576 C CB . SER A 1 70 ? 8.980 -23.582 17.228 1.00 90.54 70 A 1 ATOM 577 O OG . SER A 1 70 ? 9.134 -24.845 17.854 1.00 78.75 70 A 1 ATOM 578 N N . ARG A 1 71 ? 10.440 -25.803 15.394 1.00 91.06 71 A 1 ATOM 579 C CA . ARG A 1 71 ? 10.294 -26.999 14.547 1.00 90.54 71 A 1 ATOM 580 C C . ARG A 1 71 ? 8.863 -27.538 14.558 1.00 90.97 71 A 1 ATOM 581 O O . ARG A 1 71 ? 8.418 -28.055 13.542 1.00 86.62 71 A 1 ATOM 582 C CB . ARG A 1 71 ? 11.272 -28.102 14.977 1.00 87.83 71 A 1 ATOM 583 C CG . ARG A 1 71 ? 12.728 -27.772 14.610 1.00 76.15 71 A 1 ATOM 584 C CD . ARG A 1 71 ? 13.624 -28.964 14.953 1.00 71.36 71 A 1 ATOM 585 N NE . ARG A 1 71 ? 15.036 -28.706 14.603 1.00 62.17 71 A 1 ATOM 586 C CZ . ARG A 1 71 ? 16.043 -29.558 14.744 1.00 56.15 71 A 1 ATOM 587 N NH1 . ARG A 1 71 ? 15.868 -30.760 15.220 1.00 51.35 71 A 1 ATOM 588 N NH2 . ARG A 1 71 ? 17.253 -29.207 14.414 1.00 48.86 71 A 1 ATOM 589 N N . GLN A 1 72 ? 8.182 -27.471 15.705 1.00 87.42 72 A 1 ATOM 590 C CA . GLN A 1 72 ? 6.806 -27.925 15.894 1.00 86.59 72 A 1 ATOM 591 C C . GLN A 1 72 ? 6.125 -27.007 16.905 1.00 86.75 72 A 1 ATOM 592 O O . GLN A 1 72 ? 6.766 -26.598 17.868 1.00 83.53 72 A 1 ATOM 593 C CB . GLN A 1 72 ? 6.773 -29.374 16.415 1.00 82.79 72 A 1 ATOM 594 C CG . GLN A 1 72 ? 7.287 -30.401 15.389 1.00 75.02 72 A 1 ATOM 595 C CD . GLN A 1 72 ? 7.151 -31.859 15.843 1.00 71.28 72 A 1 ATOM 596 O OE1 . GLN A 1 72 ? 6.894 -32.190 16.985 1.00 66.15 72 A 1 ATOM 597 N NE2 . GLN A 1 72 ? 7.350 -32.803 14.947 1.00 62.40 72 A 1 ATOM 598 N N . GLN A 1 73 ? 4.815 -26.766 16.730 1.00 85.63 73 A 1 ATOM 599 C CA . GLN A 1 73 ? 4.002 -25.926 17.618 1.00 84.39 73 A 1 ATOM 600 C C . GLN A 1 73 ? 4.032 -26.400 19.079 1.00 84.36 73 A 1 ATOM 601 O O . GLN A 1 73 ? 4.115 -25.585 19.989 1.00 80.76 73 A 1 ATOM 602 C CB . GLN A 1 73 ? 2.571 -25.932 17.081 1.00 81.12 73 A 1 ATOM 603 C CG . GLN A 1 73 ? 1.625 -24.975 17.833 1.00 76.38 73 A 1 ATOM 604 C CD . GLN A 1 73 ? 0.208 -25.033 17.257 1.00 71.80 73 A 1 ATOM 605 O OE1 . GLN A 1 73 ? -0.083 -25.826 16.379 1.00 67.91 73 A 1 ATOM 606 N NE2 . GLN A 1 73 ? -0.702 -24.216 17.725 1.00 63.69 73 A 1 ATOM 607 N N . LYS A 1 74 ? 4.061 -27.723 19.309 1.00 81.65 74 A 1 ATOM 608 C CA . LYS A 1 74 ? 4.083 -28.322 20.658 1.00 80.46 74 A 1 ATOM 609 C C . LYS A 1 74 ? 5.255 -27.881 21.554 1.00 82.12 74 A 1 ATOM 610 O O . LYS A 1 74 ? 5.263 -28.203 22.733 1.00 77.23 74 A 1 ATOM 611 C CB . LYS A 1 74 ? 4.066 -29.852 20.528 1.00 76.15 74 A 1 ATOM 612 C CG . LYS A 1 74 ? 5.434 -30.419 20.122 1.00 68.92 74 A 1 ATOM 613 C CD . LYS A 1 74 ? 5.368 -31.932 19.899 1.00 64.92 74 A 1 ATOM 614 C CE . LYS A 1 74 ? 6.791 -32.465 19.805 1.00 55.96 74 A 1 ATOM 615 N NZ . LYS A 1 74 ? 6.809 -33.862 19.336 1.00 49.90 74 A 1 ATOM 616 N N . TRP A 1 75 ? 6.270 -27.235 20.989 1.00 83.91 75 A 1 ATOM 617 C CA . TRP A 1 75 ? 7.420 -26.709 21.728 1.00 83.13 75 A 1 ATOM 618 C C . TRP A 1 75 ? 7.202 -25.272 22.212 1.00 84.05 75 A 1 ATOM 619 O O . TRP A 1 75 ? 8.056 -24.741 22.919 1.00 79.88 75 A 1 ATOM 620 C CB . TRP A 1 75 ? 8.675 -26.793 20.854 1.00 79.63 75 A 1 ATOM 621 C CG . TRP A 1 75 ? 9.096 -28.172 20.446 1.00 74.48 75 A 1 ATOM 622 C CD1 . TRP A 1 75 ? 8.686 -28.826 19.338 1.00 65.94 75 A 1 ATOM 623 C CD2 . TRP A 1 75 ? 10.022 -29.070 21.134 1.00 69.54 75 A 1 ATOM 624 N NE1 . TRP A 1 75 ? 9.302 -30.077 19.277 1.00 60.78 75 A 1 ATOM 625 C CE2 . TRP A 1 75 ? 10.133 -30.259 20.356 1.00 63.91 75 A 1 ATOM 626 C CE3 . TRP A 1 75 ? 10.787 -28.982 22.316 1.00 61.09 75 A 1 ATOM 627 C CZ2 . TRP A 1 75 ? 10.968 -31.329 20.743 1.00 62.05 75 A 1 ATOM 628 C CZ3 . TRP A 1 75 ? 11.615 -30.045 22.702 1.00 57.93 75 A 1 ATOM 629 C CH2 . TRP A 1 75 ? 11.707 -31.207 21.923 1.00 57.94 75 A 1 ATOM 630 N N . LEU A 1 76 ? 6.102 -24.657 21.798 1.00 86.30 76 A 1 ATOM 631 C CA . LEU A 1 76 ? 5.693 -23.336 22.249 1.00 86.02 76 A 1 ATOM 632 C C . LEU A 1 76 ? 4.607 -23.495 23.313 1.00 86.67 76 A 1 ATOM 633 O O . LEU A 1 76 ? 3.526 -24.005 23.032 1.00 84.69 76 A 1 ATOM 634 C CB . LEU A 1 76 ? 5.205 -22.512 21.045 1.00 83.61 76 A 1 ATOM 635 C CG . LEU A 1 76 ? 6.369 -21.984 20.181 1.00 78.89 76 A 1 ATOM 636 C CD1 . LEU A 1 76 ? 5.895 -21.682 18.763 1.00 74.54 76 A 1 ATOM 637 C CD2 . LEU A 1 76 ? 6.960 -20.700 20.765 1.00 73.85 76 A 1 ATOM 638 N N . GLU A 1 77 ? 4.908 -23.050 24.522 1.00 86.61 77 A 1 ATOM 639 C CA . GLU A 1 77 ? 3.896 -22.811 25.545 1.00 86.92 77 A 1 ATOM 640 C C . GLU A 1 77 ? 3.303 -21.425 25.302 1.00 87.37 77 A 1 ATOM 641 O O . GLU A 1 77 ? 4.036 -20.448 25.125 1.00 85.01 77 A 1 ATOM 642 C CB . GLU A 1 77 ? 4.498 -22.961 26.951 1.00 84.35 77 A 1 ATOM 643 C CG . GLU A 1 77 ? 4.884 -24.429 27.222 1.00 76.34 77 A 1 ATOM 644 C CD . GLU A 1 77 ? 5.524 -24.675 28.596 1.00 72.69 77 A 1 ATOM 645 O OE1 . GLU A 1 77 ? 5.874 -25.854 28.852 1.00 66.10 77 A 1 ATOM 646 O OE2 . GLU A 1 77 ? 5.708 -23.710 29.364 1.00 67.40 77 A 1 ATOM 647 N N . LYS A 1 78 ? 1.958 -21.348 25.233 1.00 85.77 78 A 1 ATOM 648 C CA . LYS A 1 78 ? 1.232 -20.107 24.996 1.00 85.52 78 A 1 ATOM 649 C C . LYS A 1 78 ? 0.202 -19.899 26.098 1.00 86.08 78 A 1 ATOM 650 O O . LYS A 1 78 ? -0.657 -20.748 26.314 1.00 84.48 78 A 1 ATOM 651 C CB . LYS A 1 78 ? 0.616 -20.135 23.584 1.00 83.05 78 A 1 ATOM 652 C CG . LYS A 1 78 ? 0.024 -18.776 23.163 1.00 77.60 78 A 1 ATOM 653 C CD . LYS A 1 78 ? -0.498 -18.842 21.712 1.00 76.40 78 A 1 ATOM 654 C CE . LYS A 1 78 ? -1.009 -17.476 21.242 1.00 69.73 78 A 1 ATOM 655 N NZ . LYS A 1 78 ? -1.501 -17.513 19.850 1.00 65.95 78 A 1 ATOM 656 N N . GLU A 1 79 ? 0.286 -18.769 26.766 1.00 88.46 79 A 1 ATOM 657 C CA . GLU A 1 79 ? -0.704 -18.296 27.727 1.00 88.83 79 A 1 ATOM 658 C C . GLU A 1 79 ? -1.388 -17.046 27.178 1.00 88.76 79 A 1 ATOM 659 O O . GLU A 1 79 ? -0.737 -16.173 26.599 1.00 86.47 79 A 1 ATOM 660 C CB . GLU A 1 79 ? -0.061 -18.008 29.092 1.00 87.97 79 A 1 ATOM 661 C CG . GLU A 1 79 ? 0.424 -19.281 29.803 1.00 81.11 79 A 1 ATOM 662 C CD . GLU A 1 79 ? 0.956 -19.018 31.220 1.00 81.13 79 A 1 ATOM 663 O OE1 . GLU A 1 79 ? 1.180 -20.011 31.950 1.00 75.49 79 A 1 ATOM 664 O OE2 . GLU A 1 79 ? 1.134 -17.834 31.593 1.00 77.36 79 A 1 ATOM 665 N N . PHE A 1 80 ? -2.712 -16.974 27.342 1.00 86.55 80 A 1 ATOM 666 C CA . PHE A 1 80 ? -3.500 -15.807 26.966 1.00 86.26 80 A 1 ATOM 667 C C . PHE A 1 80 ? -3.884 -15.042 28.228 1.00 87.78 80 A 1 ATOM 668 O O . PHE A 1 80 ? -4.514 -15.597 29.132 1.00 85.63 80 A 1 ATOM 669 C CB . PHE A 1 80 ? -4.735 -16.228 26.173 1.00 82.43 80 A 1 ATOM 670 C CG . PHE A 1 80 ? -4.415 -16.870 24.841 1.00 77.36 80 A 1 ATOM 671 C CD1 . PHE A 1 80 ? -4.271 -16.071 23.692 1.00 72.99 80 A 1 ATOM 672 C CD2 . PHE A 1 80 ? -4.292 -18.266 24.740 1.00 71.04 80 A 1 ATOM 673 C CE1 . PHE A 1 80 ? -4.036 -16.666 22.444 1.00 68.19 80 A 1 ATOM 674 C CE2 . PHE A 1 80 ? -4.053 -18.865 23.492 1.00 66.93 80 A 1 ATOM 675 C CZ . PHE A 1 80 ? -3.935 -18.064 22.343 1.00 67.14 80 A 1 ATOM 676 N N . TRP A 1 81 ? -3.535 -13.777 28.273 1.00 88.24 81 A 1 ATOM 677 C CA . TRP A 1 81 ? -3.917 -12.864 29.339 1.00 89.69 81 A 1 ATOM 678 C C . TRP A 1 81 ? -4.885 -11.822 28.780 1.00 90.19 81 A 1 ATOM 679 O O . TRP A 1 81 ? -4.538 -11.087 27.859 1.00 86.56 81 A 1 ATOM 680 C CB . TRP A 1 81 ? -2.666 -12.220 29.954 1.00 89.48 81 A 1 ATOM 681 C CG . TRP A 1 81 ? -1.653 -13.130 30.597 1.00 89.43 81 A 1 ATOM 682 C CD1 . TRP A 1 81 ? -1.761 -14.464 30.791 1.00 84.37 81 A 1 ATOM 683 C CD2 . TRP A 1 81 ? -0.344 -12.754 31.139 1.00 88.47 81 A 1 ATOM 684 N NE1 . TRP A 1 81 ? -0.602 -14.945 31.407 1.00 85.75 81 A 1 ATOM 685 C CE2 . TRP A 1 81 ? 0.286 -13.920 31.636 1.00 88.64 81 A 1 ATOM 686 C CE3 . TRP A 1 81 ? 0.365 -11.526 31.248 1.00 87.28 81 A 1 ATOM 687 C CZ2 . TRP A 1 81 ? 1.575 -13.888 32.213 1.00 87.50 81 A 1 ATOM 688 C CZ3 . TRP A 1 81 ? 1.641 -11.497 31.824 1.00 83.66 81 A 1 ATOM 689 C CH2 . TRP A 1 81 ? 2.235 -12.670 32.298 1.00 83.85 81 A 1 ATOM 690 N N . GLY A 1 82 ? -6.110 -11.775 29.314 1.00 89.16 82 A 1 ATOM 691 C CA . GLY A 1 82 ? -7.163 -10.879 28.842 1.00 88.52 82 A 1 ATOM 692 C C . GLY A 1 82 ? -8.144 -11.564 27.891 1.00 87.78 82 A 1 ATOM 693 O O . GLY A 1 82 ? -8.586 -12.681 28.156 1.00 84.12 82 A 1 ATOM 694 N N . LEU A 1 83 ? -8.540 -10.873 26.806 1.00 84.24 83 A 1 ATOM 695 C CA . LEU A 1 83 ? -9.549 -11.372 25.873 1.00 81.27 83 A 1 ATOM 696 C C . LEU A 1 83 ? -8.994 -12.565 25.081 1.00 78.39 83 A 1 ATOM 697 O O . LEU A 1 83 ? -8.084 -12.418 24.263 1.00 72.65 83 A 1 ATOM 698 C CB . LEU A 1 83 ? -10.022 -10.225 24.950 1.00 78.83 83 A 1 ATOM 699 C CG . LEU A 1 83 ? -11.544 -10.262 24.692 1.00 72.38 83 A 1 ATOM 700 C CD1 . LEU A 1 83 ? -12.262 -9.258 25.595 1.00 67.13 83 A 1 ATOM 701 C CD2 . LEU A 1 83 ? -11.884 -9.925 23.246 1.00 67.39 83 A 1 ATOM 702 N N . THR A 1 84 ? -9.556 -13.759 25.309 1.00 73.48 84 A 1 ATOM 703 C CA . THR A 1 84 ? -9.322 -14.931 24.464 1.00 71.21 84 A 1 ATOM 704 C C . THR A 1 84 ? -10.370 -14.957 23.365 1.00 69.07 84 A 1 ATOM 705 O O . THR A 1 84 ? -11.540 -15.221 23.643 1.00 63.59 84 A 1 ATOM 706 C CB . THR A 1 84 ? -9.373 -16.238 25.273 1.00 67.09 84 A 1 ATOM 707 O OG1 . THR A 1 84 ? -10.432 -16.213 26.204 1.00 59.89 84 A 1 ATOM 708 C CG2 . THR A 1 84 ? -8.082 -16.454 26.058 1.00 57.89 84 A 1 ATOM 709 N N . ASP A 1 85 ? -9.957 -14.710 22.114 1.00 63.03 85 A 1 ATOM 710 C CA . ASP A 1 85 ? -10.843 -14.913 20.970 1.00 61.52 85 A 1 ATOM 711 C C . ASP A 1 85 ? -11.058 -16.422 20.729 1.00 60.44 85 A 1 ATOM 712 O O . ASP A 1 85 ? -10.117 -17.223 20.803 1.00 56.18 85 A 1 ATOM 713 C CB . ASP A 1 85 ? -10.291 -14.160 19.740 1.00 57.62 85 A 1 ATOM 714 C CG . ASP A 1 85 ? -11.317 -14.006 18.608 1.00 53.18 85 A 1 ATOM 715 O OD1 . ASP A 1 85 ? -12.471 -14.457 18.797 1.00 49.29 85 A 1 ATOM 716 O OD2 . ASP A 1 85 ? -10.920 -13.523 17.528 1.00 47.85 85 A 1 ATOM 717 N N . GLU A 1 86 ? -12.306 -16.848 20.453 1.00 54.07 86 A 1 ATOM 718 C CA . GLU A 1 86 ? -12.675 -18.266 20.291 1.00 53.66 86 A 1 ATOM 719 C C . GLU A 1 86 ? -11.858 -18.955 19.190 1.00 53.64 86 A 1 ATOM 720 O O . GLU A 1 86 ? -11.561 -20.150 19.286 1.00 49.41 86 A 1 ATOM 721 C CB . GLU A 1 86 ? -14.165 -18.409 19.950 1.00 50.05 86 A 1 ATOM 722 C CG . GLU A 1 86 ? -15.100 -18.179 21.148 1.00 45.05 86 A 1 ATOM 723 C CD . GLU A 1 86 ? -16.566 -18.531 20.834 1.00 41.54 86 A 1 ATOM 724 O OE1 . GLU A 1 86 ? -17.322 -18.775 21.800 1.00 37.21 86 A 1 ATOM 725 O OE2 . GLU A 1 86 ? -16.929 -18.576 19.639 1.00 40.14 86 A 1 ATOM 726 N N . LYS A 1 87 ? -11.453 -18.222 18.154 1.00 56.21 87 A 1 ATOM 727 C CA . LYS A 1 87 ? -10.646 -18.755 17.045 1.00 56.12 87 A 1 ATOM 728 C C . LYS A 1 87 ? -9.308 -19.327 17.515 1.00 55.28 87 A 1 ATOM 729 O O . LYS A 1 87 ? -8.848 -20.323 16.961 1.00 52.13 87 A 1 ATOM 730 C CB . LYS A 1 87 ? -10.397 -17.662 16.000 1.00 54.22 87 A 1 ATOM 731 C CG . LYS A 1 87 ? -11.666 -17.298 15.222 1.00 50.20 87 A 1 ATOM 732 C CD . LYS A 1 87 ? -11.350 -16.186 14.223 1.00 47.96 87 A 1 ATOM 733 C CE . LYS A 1 87 ? -12.607 -15.756 13.472 1.00 44.01 87 A 1 ATOM 734 N NZ . LYS A 1 87 ? -12.372 -14.504 12.717 1.00 42.00 87 A 1 ATOM 735 N N . THR A 1 88 ? -8.683 -18.725 18.524 1.00 53.54 88 A 1 ATOM 736 C CA . THR A 1 88 ? -7.403 -19.208 19.056 1.00 52.50 88 A 1 ATOM 737 C C . THR A 1 88 ? -7.556 -20.407 19.987 1.00 52.27 88 A 1 ATOM 738 O O . THR A 1 88 ? -6.632 -21.212 20.088 1.00 49.43 88 A 1 ATOM 739 C CB . THR A 1 88 ? -6.624 -18.089 19.767 1.00 50.22 88 A 1 ATOM 740 O OG1 . THR A 1 88 ? -7.467 -17.222 20.481 1.00 46.32 88 A 1 ATOM 741 C CG2 . THR A 1 88 ? -5.860 -17.235 18.759 1.00 45.81 88 A 1 ATOM 742 N N . SER A 1 89 ? -8.711 -20.581 20.635 1.00 51.48 89 A 1 ATOM 743 C CA . SER A 1 89 ? -8.960 -21.702 21.551 1.00 50.98 89 A 1 ATOM 744 C C . SER A 1 89 ? -9.065 -23.054 20.839 1.00 51.13 89 A 1 ATOM 745 O O . SER A 1 89 ? -8.615 -24.067 21.370 1.00 48.12 89 A 1 ATOM 746 C CB . SER A 1 89 ? -10.213 -21.437 22.394 1.00 48.30 89 A 1 ATOM 747 O OG . SER A 1 89 ? -11.399 -21.532 21.631 1.00 43.98 89 A 1 ATOM 748 N N . ASN A 1 90 ? -9.601 -23.081 19.610 1.00 50.75 90 A 1 ATOM 749 C CA . ASN A 1 90 ? -9.802 -24.320 18.849 1.00 50.58 90 A 1 ATOM 750 C C . ASN A 1 90 ? -8.519 -24.910 18.234 1.00 50.12 90 A 1 ATOM 751 O O . ASN A 1 90 ? -8.562 -26.017 17.693 1.00 47.42 90 A 1 ATOM 752 C CB . ASN A 1 90 ? -10.859 -24.066 17.766 1.00 48.23 90 A 1 ATOM 753 C CG . ASN A 1 90 ? -12.281 -24.086 18.306 1.00 44.11 90 A 1 ATOM 754 O OD1 . ASN A 1 90 ? -12.621 -24.782 19.241 1.00 41.64 90 A 1 ATOM 755 N ND2 . ASN A 1 90 ? -13.174 -23.352 17.681 1.00 39.70 90 A 1 ATOM 756 N N . PHE A 1 91 ? -7.401 -24.189 18.273 1.00 50.07 91 A 1 ATOM 757 C CA . PHE A 1 91 ? -6.131 -24.689 17.735 1.00 49.34 91 A 1 ATOM 758 C C . PHE A 1 91 ? -5.305 -25.503 18.746 1.00 49.00 91 A 1 ATOM 759 O O . PHE A 1 91 ? -4.270 -26.058 18.358 1.00 46.03 91 A 1 ATOM 760 C CB . PHE A 1 91 ? -5.325 -23.529 17.141 1.00 47.15 91 A 1 ATOM 761 C CG . PHE A 1 91 ? -5.724 -23.182 15.721 1.00 45.78 91 A 1 ATOM 762 C CD1 . PHE A 1 91 ? -5.216 -23.942 14.646 1.00 43.20 91 A 1 ATOM 763 C CD2 . PHE A 1 91 ? -6.592 -22.110 15.460 1.00 41.50 91 A 1 ATOM 764 C CE1 . PHE A 1 91 ? -5.573 -23.630 13.325 1.00 39.47 91 A 1 ATOM 765 C CE2 . PHE A 1 91 ? -6.955 -21.797 14.139 1.00 37.95 91 A 1 ATOM 766 C CZ . PHE A 1 91 ? -6.444 -22.555 13.069 1.00 37.57 91 A 1 ATOM 767 N N . PHE A 1 92 ? -5.744 -25.579 20.010 1.00 47.77 92 A 1 ATOM 768 C CA . PHE A 1 92 ? -5.057 -26.309 21.076 1.00 45.66 92 A 1 ATOM 769 C C . PHE A 1 92 ? -5.867 -27.517 21.557 1.00 43.71 92 A 1 ATOM 770 O O . PHE A 1 92 ? -7.094 -27.387 21.727 1.00 38.93 92 A 1 ATOM 771 C CB . PHE A 1 92 ? -4.709 -25.365 22.231 1.00 43.18 92 A 1 ATOM 772 C CG . PHE A 1 92 ? -3.697 -24.295 21.854 1.00 40.83 92 A 1 ATOM 773 C CD1 . PHE A 1 92 ? -2.331 -24.619 21.772 1.00 37.64 92 A 1 ATOM 774 C CD2 . PHE A 1 92 ? -4.120 -22.992 21.561 1.00 35.84 92 A 1 ATOM 775 C CE1 . PHE A 1 92 ? -1.392 -23.647 21.392 1.00 34.65 92 A 1 ATOM 776 C CE2 . PHE A 1 92 ? -3.184 -22.014 21.181 1.00 35.87 92 A 1 ATOM 777 C CZ . PHE A 1 92 ? -1.822 -22.346 21.092 1.00 34.25 92 A 1 ATOM 778 O OXT . PHE A 1 92 ? -5.212 -28.574 21.756 1.00 38.23 92 A 1 ATOM 779 N N . MET B 2 1 ? -5.956 39.924 -8.870 1.00 34.38 1 B 1 ATOM 780 C CA . MET B 2 1 ? -5.213 38.656 -8.933 1.00 40.08 1 B 1 ATOM 781 C C . MET B 2 1 ? -6.213 37.646 -9.466 1.00 44.22 1 B 1 ATOM 782 O O . MET B 2 1 ? -7.220 37.444 -8.806 1.00 42.36 1 B 1 ATOM 783 C CB . MET B 2 1 ? -4.682 38.317 -7.535 1.00 40.45 1 B 1 ATOM 784 C CG . MET B 2 1 ? -3.525 37.317 -7.508 1.00 37.13 1 B 1 ATOM 785 S SD . MET B 2 1 ? -2.717 37.317 -5.876 1.00 34.31 1 B 1 ATOM 786 C CE . MET B 2 1 ? -1.424 36.075 -6.120 1.00 30.70 1 B 1 ATOM 787 N N . LYS B 2 2 ? -6.049 37.162 -10.714 1.00 46.25 2 B 1 ATOM 788 C CA . LYS B 2 2 ? -6.993 36.172 -11.250 1.00 48.96 2 B 1 ATOM 789 C C . LYS B 2 2 ? -6.804 34.922 -10.399 1.00 51.12 2 B 1 ATOM 790 O O . LYS B 2 2 ? -5.719 34.353 -10.421 1.00 48.88 2 B 1 ATOM 791 C CB . LYS B 2 2 ? -6.742 35.875 -12.738 1.00 47.20 2 B 1 ATOM 792 C CG . LYS B 2 2 ? -7.348 36.923 -13.688 1.00 42.49 2 B 1 ATOM 793 C CD . LYS B 2 2 ? -7.138 36.496 -15.150 1.00 38.17 2 B 1 ATOM 794 C CE . LYS B 2 2 ? -7.823 37.448 -16.130 1.00 33.72 2 B 1 ATOM 795 N NZ . LYS B 2 2 ? -7.679 36.976 -17.530 1.00 29.32 2 B 1 ATOM 796 N N . THR B 2 3 ? -7.801 34.569 -9.591 1.00 52.21 3 B 1 ATOM 797 C CA . THR B 2 3 ? -7.882 33.251 -8.970 1.00 53.58 3 B 1 ATOM 798 C C . THR B 2 3 ? -7.955 32.273 -10.129 1.00 55.80 3 B 1 ATOM 799 O O . THR B 2 3 ? -8.991 32.189 -10.785 1.00 53.25 3 B 1 ATOM 800 C CB . THR B 2 3 ? -9.136 33.135 -8.084 1.00 49.71 3 B 1 ATOM 801 O OG1 . THR B 2 3 ? -10.199 33.892 -8.631 1.00 43.72 3 B 1 ATOM 802 C CG2 . THR B 2 3 ? -8.870 33.687 -6.680 1.00 41.94 3 B 1 ATOM 803 N N . ILE B 2 4 ? -6.803 31.666 -10.454 1.00 60.25 4 B 1 ATOM 804 C CA . ILE B 2 4 ? -6.751 30.629 -11.475 1.00 61.50 4 B 1 ATOM 805 C C . ILE B 2 4 ? -7.668 29.536 -10.947 1.00 63.59 4 B 1 ATOM 806 O O . ILE B 2 4 ? -7.485 29.081 -9.811 1.00 60.27 4 B 1 ATOM 807 C CB . ILE B 2 4 ? -5.316 30.143 -11.730 1.00 57.14 4 B 1 ATOM 808 C CG1 . ILE B 2 4 ? -4.352 31.317 -12.022 1.00 51.70 4 B 1 ATOM 809 C CG2 . ILE B 2 4 ? -5.350 29.190 -12.934 1.00 50.14 4 B 1 ATOM 810 C CD1 . ILE B 2 4 ? -2.887 30.902 -12.212 1.00 46.56 4 B 1 ATOM 811 N N . ASP B 2 5 ? -8.702 29.235 -11.705 1.00 71.97 5 B 1 ATOM 812 C CA . ASP B 2 5 ? -9.684 28.251 -11.293 1.00 75.71 5 B 1 ATOM 813 C C . ASP B 2 5 ? -9.006 26.881 -11.324 1.00 79.53 5 B 1 ATOM 814 O O . ASP B 2 5 ? -8.523 26.438 -12.369 1.00 76.20 5 B 1 ATOM 815 C CB . ASP B 2 5 ? -10.923 28.350 -12.193 1.00 68.23 5 B 1 ATOM 816 C CG . ASP B 2 5 ? -12.110 27.572 -11.625 1.00 61.28 5 B 1 ATOM 817 O OD1 . ASP B 2 5 ? -11.877 26.770 -10.693 1.00 57.14 5 B 1 ATOM 818 O OD2 . ASP B 2 5 ? -13.236 27.846 -12.090 1.00 55.07 5 B 1 ATOM 819 N N . ARG B 2 6 ? -8.895 26.243 -10.149 1.00 77.83 6 B 1 ATOM 820 C CA . ARG B 2 6 ? -8.257 24.923 -10.043 1.00 78.26 6 B 1 ATOM 821 C C . ARG B 2 6 ? -8.995 23.894 -10.901 1.00 82.17 6 B 1 ATOM 822 O O . ARG B 2 6 ? -8.352 23.011 -11.446 1.00 80.74 6 B 1 ATOM 823 C CB . ARG B 2 6 ? -8.170 24.478 -8.579 1.00 72.99 6 B 1 ATOM 824 C CG . ARG B 2 6 ? -7.047 25.184 -7.793 1.00 67.84 6 B 1 ATOM 825 C CD . ARG B 2 6 ? -6.954 24.597 -6.378 1.00 64.26 6 B 1 ATOM 826 N NE . ARG B 2 6 ? -5.750 25.037 -5.638 1.00 58.98 6 B 1 ATOM 827 C CZ . ARG B 2 6 ? -5.117 24.321 -4.709 1.00 55.65 6 B 1 ATOM 828 N NH1 . ARG B 2 6 ? -5.606 23.222 -4.217 1.00 51.00 6 B 1 ATOM 829 N NH2 . ARG B 2 6 ? -3.958 24.685 -4.256 1.00 48.71 6 B 1 ATOM 830 N N . ASP B 2 7 ? -10.295 24.068 -11.100 1.00 79.29 7 B 1 ATOM 831 C CA . ASP B 2 7 ? -11.080 23.232 -12.018 1.00 81.75 7 B 1 ATOM 832 C C . ASP B 2 7 ? -10.659 23.420 -13.489 1.00 84.55 7 B 1 ATOM 833 O O . ASP B 2 7 ? -10.714 22.469 -14.273 1.00 82.78 7 B 1 ATOM 834 C CB . ASP B 2 7 ? -12.578 23.556 -11.883 1.00 78.59 7 B 1 ATOM 835 C CG . ASP B 2 7 ? -13.245 22.925 -10.656 1.00 72.36 7 B 1 ATOM 836 O OD1 . ASP B 2 7 ? -13.145 21.687 -10.517 1.00 65.52 7 B 1 ATOM 837 O OD2 . ASP B 2 7 ? -13.921 23.651 -9.901 1.00 65.11 7 B 1 ATOM 838 N N . GLU B 2 8 ? -10.232 24.634 -13.888 1.00 82.30 8 B 1 ATOM 839 C CA . GLU B 2 8 ? -9.703 24.868 -15.237 1.00 82.85 8 B 1 ATOM 840 C C . GLU B 2 8 ? -8.302 24.269 -15.396 1.00 85.07 8 B 1 ATOM 841 O O . GLU B 2 8 ? -8.050 23.616 -16.405 1.00 83.09 8 B 1 ATOM 842 C CB . GLU B 2 8 ? -9.680 26.361 -15.609 1.00 79.93 8 B 1 ATOM 843 C CG . GLU B 2 8 ? -11.079 26.922 -15.915 1.00 71.48 8 B 1 ATOM 844 C CD . GLU B 2 8 ? -11.051 28.323 -16.565 1.00 64.91 8 B 1 ATOM 845 O OE1 . GLU B 2 8 ? -12.066 28.689 -17.207 1.00 56.76 8 B 1 ATOM 846 O OE2 . GLU B 2 8 ? -10.027 29.039 -16.459 1.00 58.02 8 B 1 ATOM 847 N N . ILE B 2 9 ? -7.428 24.422 -14.384 1.00 84.21 9 B 1 ATOM 848 C CA . ILE B 2 9 ? -6.083 23.824 -14.393 1.00 84.76 9 B 1 ATOM 849 C C . ILE B 2 9 ? -6.182 22.300 -14.480 1.00 86.46 9 B 1 ATOM 850 O O . ILE B 2 9 ? -5.508 21.687 -15.301 1.00 85.80 9 B 1 ATOM 851 C CB . ILE B 2 9 ? -5.265 24.226 -13.148 1.00 82.69 9 B 1 ATOM 852 C CG1 . ILE B 2 9 ? -5.106 25.754 -13.035 1.00 77.75 9 B 1 ATOM 853 C CG2 . ILE B 2 9 ? -3.872 23.567 -13.179 1.00 77.31 9 B 1 ATOM 854 C CD1 . ILE B 2 9 ? -4.453 26.178 -11.711 1.00 71.71 9 B 1 ATOM 855 N N . ALA B 2 10 ? -7.052 21.686 -13.679 1.00 86.77 10 B 1 ATOM 856 C CA . ALA B 2 10 ? -7.211 20.234 -13.643 1.00 87.74 10 B 1 ATOM 857 C C . ALA B 2 10 ? -7.640 19.642 -14.999 1.00 89.19 10 B 1 ATOM 858 O O . ALA B 2 10 ? -7.312 18.496 -15.304 1.00 88.72 10 B 1 ATOM 859 C CB . ALA B 2 10 ? -8.223 19.896 -12.545 1.00 86.90 10 B 1 ATOM 860 N N . LYS B 2 11 ? -8.338 20.416 -15.836 1.00 88.71 11 B 1 ATOM 861 C CA . LYS B 2 11 ? -8.729 19.996 -17.194 1.00 88.77 11 B 1 ATOM 862 C C . LYS B 2 11 ? -7.567 19.996 -18.183 1.00 89.34 11 B 1 ATOM 863 O O . LYS B 2 11 ? -7.681 19.349 -19.223 1.00 86.62 11 B 1 ATOM 864 C CB . LYS B 2 11 ? -9.851 20.899 -17.714 1.00 86.48 11 B 1 ATOM 865 C CG . LYS B 2 11 ? -11.170 20.628 -16.983 1.00 80.82 11 B 1 ATOM 866 C CD . LYS B 2 11 ? -12.195 21.698 -17.356 1.00 76.23 11 B 1 ATOM 867 C CE . LYS B 2 11 ? -13.436 21.498 -16.488 1.00 67.27 11 B 1 ATOM 868 N NZ . LYS B 2 11 ? -14.401 22.600 -16.673 1.00 59.16 11 B 1 ATOM 869 N N . ASP B 2 12 ? -6.480 20.703 -17.881 1.00 89.99 12 B 1 ATOM 870 C CA . ASP B 2 12 ? -5.280 20.715 -18.715 1.00 89.75 12 B 1 ATOM 871 C C . ASP B 2 12 ? -4.427 19.476 -18.407 1.00 90.79 12 B 1 ATOM 872 O O . ASP B 2 12 ? -3.518 19.494 -17.581 1.00 89.22 12 B 1 ATOM 873 C CB . ASP B 2 12 ? -4.531 22.043 -18.541 1.00 87.60 12 B 1 ATOM 874 C CG . ASP B 2 12 ? -3.454 22.260 -19.610 1.00 81.91 12 B 1 ATOM 875 O OD1 . ASP B 2 12 ? -3.522 21.585 -20.664 1.00 76.09 12 B 1 ATOM 876 O OD2 . ASP B 2 12 ? -2.616 23.163 -19.411 1.00 74.86 12 B 1 ATOM 877 N N . ILE B 2 13 ? -4.775 18.354 -19.039 1.00 90.67 13 B 1 ATOM 878 C CA . ILE B 2 13 ? -4.098 17.076 -18.825 1.00 91.04 13 B 1 ATOM 879 C C . ILE B 2 13 ? -2.681 17.147 -19.390 1.00 90.80 13 B 1 ATOM 880 O O . ILE B 2 13 ? -2.497 17.339 -20.590 1.00 88.42 13 B 1 ATOM 881 C CB . ILE B 2 13 ? -4.896 15.912 -19.446 1.00 90.31 13 B 1 ATOM 882 C CG1 . ILE B 2 13 ? -6.347 15.814 -18.918 1.00 87.41 13 B 1 ATOM 883 C CG2 . ILE B 2 13 ? -4.164 14.575 -19.244 1.00 86.64 13 B 1 ATOM 884 C CD1 . ILE B 2 13 ? -6.484 15.716 -17.394 1.00 80.01 13 B 1 ATOM 885 N N . ASN B 2 14 ? -1.688 16.928 -18.521 1.00 91.65 14 B 1 ATOM 886 C CA . ASN B 2 14 ? -0.273 16.932 -18.891 1.00 91.07 14 B 1 ATOM 887 C C . ASN B 2 14 ? 0.463 15.626 -18.557 1.00 91.83 14 B 1 ATOM 888 O O . ASN B 2 14 ? 1.614 15.462 -18.950 1.00 89.22 14 B 1 ATOM 889 C CB . ASN B 2 14 ? 0.395 18.179 -18.280 1.00 88.14 14 B 1 ATOM 890 C CG . ASN B 2 14 ? 0.467 18.168 -16.759 1.00 86.47 14 B 1 ATOM 891 O OD1 . ASN B 2 14 ? 0.144 17.210 -16.085 1.00 79.99 14 B 1 ATOM 892 N ND2 . ASN B 2 14 ? 0.915 19.260 -16.174 1.00 81.59 14 B 1 ATOM 893 N N . ALA B 2 15 ? -0.193 14.689 -17.859 1.00 93.16 15 B 1 ATOM 894 C CA . ALA B 2 15 ? 0.383 13.398 -17.502 1.00 93.19 15 B 1 ATOM 895 C C . ALA B 2 15 ? -0.678 12.293 -17.411 1.00 94.43 15 B 1 ATOM 896 O O . ALA B 2 15 ? -1.864 12.548 -17.238 1.00 93.50 15 B 1 ATOM 897 C CB . ALA B 2 15 ? 1.143 13.554 -16.176 1.00 90.85 15 B 1 ATOM 898 N N . CYS B 2 16 ? -0.212 11.039 -17.484 1.00 94.91 16 B 1 ATOM 899 C CA . CYS B 2 16 ? -0.969 9.848 -17.104 1.00 95.09 16 B 1 ATOM 900 C C . CYS B 2 16 ? -0.166 9.106 -16.037 1.00 95.05 16 B 1 ATOM 901 O O . CYS B 2 16 ? 0.931 8.623 -16.322 1.00 92.72 16 B 1 ATOM 902 C CB . CYS B 2 16 ? -1.216 8.962 -18.331 1.00 93.62 16 B 1 ATOM 903 S SG . CYS B 2 16 ? -2.464 9.701 -19.416 1.00 82.70 16 B 1 ATOM 904 N N . ILE B 2 17 ? -0.685 9.029 -14.807 1.00 94.77 17 B 1 ATOM 905 C CA . ILE B 2 17 ? 0.046 8.482 -13.657 1.00 94.54 17 B 1 ATOM 906 C C . ILE B 2 17 ? -0.710 7.289 -13.081 1.00 95.27 17 B 1 ATOM 907 O O . ILE B 2 17 ? -1.930 7.295 -12.953 1.00 94.91 17 B 1 ATOM 908 C CB . ILE B 2 17 ? 0.351 9.572 -12.605 1.00 92.78 17 B 1 ATOM 909 C CG1 . ILE B 2 17 ? 1.155 10.721 -13.261 1.00 89.93 17 B 1 ATOM 910 C CG2 . ILE B 2 17 ? 1.118 8.973 -11.413 1.00 89.32 17 B 1 ATOM 911 C CD1 . ILE B 2 17 ? 1.580 11.837 -12.301 1.00 85.76 17 B 1 ATOM 912 N N . LYS B 2 18 ? 0.049 6.254 -12.715 1.00 93.89 18 B 1 ATOM 913 C CA . LYS B 2 18 ? -0.440 5.047 -12.056 1.00 93.47 18 B 1 ATOM 914 C C . LYS B 2 18 ? -0.160 5.100 -10.558 1.00 92.50 18 B 1 ATOM 915 O O . LYS B 2 18 ? 0.954 5.422 -10.158 1.00 89.68 18 B 1 ATOM 916 C CB . LYS B 2 18 ? 0.208 3.826 -12.725 1.00 92.33 18 B 1 ATOM 917 C CG . LYS B 2 18 ? -0.202 2.526 -12.031 1.00 88.20 18 B 1 ATOM 918 C CD . LYS B 2 18 ? 0.265 1.303 -12.817 1.00 86.80 18 B 1 ATOM 919 C CE . LYS B 2 18 ? -0.221 0.071 -12.058 1.00 78.74 18 B 1 ATOM 920 N NZ . LYS B 2 18 ? -0.223 -1.132 -12.905 1.00 70.81 18 B 1 ATOM 921 N N . GLY B 2 19 ? -1.125 4.653 -9.750 1.00 92.57 19 B 1 ATOM 922 C CA . GLY B 2 19 ? -0.946 4.501 -8.306 1.00 91.17 19 B 1 ATOM 923 C C . GLY B 2 19 ? -1.028 5.816 -7.534 1.00 91.10 19 B 1 ATOM 924 O O . GLY B 2 19 ? -0.385 5.924 -6.493 1.00 88.92 19 B 1 ATOM 925 N N . LEU B 2 20 ? -1.808 6.777 -8.038 1.00 93.02 20 B 1 ATOM 926 C CA . LEU B 2 20 ? -2.107 8.007 -7.304 1.00 93.54 20 B 1 ATOM 927 C C . LEU B 2 20 ? -2.780 7.681 -5.970 1.00 93.61 20 B 1 ATOM 928 O O . LEU B 2 20 ? -3.649 6.805 -5.904 1.00 93.17 20 B 1 ATOM 929 C CB . LEU B 2 20 ? -3.012 8.925 -8.138 1.00 93.72 20 B 1 ATOM 930 C CG . LEU B 2 20 ? -2.358 9.519 -9.396 1.00 93.06 20 B 1 ATOM 931 C CD1 . LEU B 2 20 ? -3.360 10.440 -10.089 1.00 92.11 20 B 1 ATOM 932 C CD2 . LEU B 2 20 ? -1.102 10.328 -9.070 1.00 91.83 20 B 1 ATOM 933 N N . GLY B 2 21 ? -2.392 8.397 -4.921 1.00 92.50 21 B 1 ATOM 934 C CA . GLY B 2 21 ? -2.948 8.308 -3.579 1.00 91.86 21 B 1 ATOM 935 C C . GLY B 2 21 ? -3.690 9.583 -3.178 1.00 92.08 21 B 1 ATOM 936 O O . GLY B 2 21 ? -3.416 10.671 -3.677 1.00 91.06 21 B 1 ATOM 937 N N . ARG B 2 22 ? -4.645 9.434 -2.264 1.00 92.68 22 B 1 ATOM 938 C CA . ARG B 2 22 ? -5.329 10.552 -1.612 1.00 92.98 22 B 1 ATOM 939 C C . ARG B 2 22 ? -5.857 10.104 -0.266 1.00 93.28 22 B 1 ATOM 940 O O . ARG B 2 22 ? -6.480 9.050 -0.171 1.00 92.46 22 B 1 ATOM 941 C CB . ARG B 2 22 ? -6.469 11.044 -2.509 1.00 92.14 22 B 1 ATOM 942 C CG . ARG B 2 22 ? -7.381 12.083 -1.840 1.00 90.42 22 B 1 ATOM 943 C CD . ARG B 2 22 ? -8.526 12.406 -2.788 1.00 89.18 22 B 1 ATOM 944 N NE . ARG B 2 22 ? -9.534 13.295 -2.190 1.00 87.52 22 B 1 ATOM 945 C CZ . ARG B 2 22 ? -9.708 14.575 -2.459 1.00 87.34 22 B 1 ATOM 946 N NH1 . ARG B 2 22 ? -8.868 15.252 -3.177 1.00 80.57 22 B 1 ATOM 947 N NH2 . ARG B 2 22 ? -10.753 15.198 -2.024 1.00 82.57 22 B 1 ATOM 948 N N . ASP B 2 23 ? -5.713 10.974 0.731 1.00 91.53 23 B 1 ATOM 949 C CA . ASP B 2 23 ? -6.218 10.703 2.067 1.00 91.01 23 B 1 ATOM 950 C C . ASP B 2 23 ? -7.284 11.701 2.458 1.00 91.57 23 B 1 ATOM 951 O O . ASP B 2 23 ? -7.196 12.898 2.180 1.00 90.31 23 B 1 ATOM 952 C CB . ASP B 2 23 ? -5.095 10.722 3.089 1.00 89.01 23 B 1 ATOM 953 C CG . ASP B 2 23 ? -3.982 9.764 2.728 1.00 85.14 23 B 1 ATOM 954 O OD1 . ASP B 2 23 ? -4.240 8.738 2.050 1.00 79.73 23 B 1 ATOM 955 O OD2 . ASP B 2 23 ? -2.855 10.114 3.108 1.00 79.46 23 B 1 ATOM 956 N N . ILE B 2 24 ? -8.297 11.193 3.145 1.00 92.44 24 B 1 ATOM 957 C CA . ILE B 2 24 ? -9.332 12.032 3.734 1.00 92.76 24 B 1 ATOM 958 C C . ILE B 2 24 ? -9.686 11.525 5.129 1.00 93.15 24 B 1 ATOM 959 O O . ILE B 2 24 ? -9.620 10.332 5.420 1.00 92.80 24 B 1 ATOM 960 C CB . ILE B 2 24 ? -10.576 12.156 2.828 1.00 92.35 24 B 1 ATOM 961 C CG1 . ILE B 2 24 ? -11.345 10.829 2.680 1.00 89.56 24 B 1 ATOM 962 C CG2 . ILE B 2 24 ? -10.193 12.727 1.446 1.00 86.59 24 B 1 ATOM 963 C CD1 . ILE B 2 24 ? -12.700 10.984 1.970 1.00 87.36 24 B 1 ATOM 964 N N . ARG B 2 25 ? -10.147 12.446 5.986 1.00 92.78 25 B 1 ATOM 965 C CA . ARG B 2 25 ? -10.846 12.100 7.225 1.00 92.98 25 B 1 ATOM 966 C C . ARG B 2 25 ? -12.283 12.580 7.169 1.00 93.42 25 B 1 ATOM 967 O O . ARG B 2 25 ? -12.563 13.717 6.777 1.00 91.94 25 B 1 ATOM 968 C CB . ARG B 2 25 ? -10.125 12.637 8.459 1.00 91.61 25 B 1 ATOM 969 C CG . ARG B 2 25 ? -8.871 11.813 8.775 1.00 87.27 25 B 1 ATOM 970 C CD . ARG B 2 25 ? -8.299 12.221 10.131 1.00 84.24 25 B 1 ATOM 971 N NE . ARG B 2 25 ? -7.132 11.399 10.464 1.00 79.80 25 B 1 ATOM 972 C CZ . ARG B 2 25 ? -6.358 11.498 11.522 1.00 74.89 25 B 1 ATOM 973 N NH1 . ARG B 2 25 ? -6.563 12.389 12.450 1.00 68.34 25 B 1 ATOM 974 N NH2 . ARG B 2 25 ? -5.357 10.681 11.644 1.00 69.63 25 B 1 ATOM 975 N N . THR B 2 26 ? -13.187 11.704 7.599 1.00 93.75 26 B 1 ATOM 976 C CA . THR B 2 26 ? -14.625 11.961 7.617 1.00 94.08 26 B 1 ATOM 977 C C . THR B 2 26 ? -15.207 11.650 8.993 1.00 94.45 26 B 1 ATOM 978 O O . THR B 2 26 ? -14.630 10.912 9.792 1.00 93.74 26 B 1 ATOM 979 C CB . THR B 2 26 ? -15.350 11.177 6.514 1.00 93.45 26 B 1 ATOM 980 O OG1 . THR B 2 26 ? -15.216 9.799 6.722 1.00 90.49 26 B 1 ATOM 981 C CG2 . THR B 2 26 ? -14.823 11.499 5.116 1.00 89.91 26 B 1 ATOM 982 N N . ASN B 2 27 ? -16.358 12.245 9.300 1.00 93.78 27 B 1 ATOM 983 C CA . ASN B 2 27 ? -17.041 11.987 10.572 1.00 93.61 27 B 1 ATOM 984 C C . ASN B 2 27 ? -17.788 10.650 10.582 1.00 94.08 27 B 1 ATOM 985 O O . ASN B 2 27 ? -18.080 10.122 11.650 1.00 92.19 27 B 1 ATOM 986 C CB . ASN B 2 27 ? -18.007 13.143 10.855 1.00 92.46 27 B 1 ATOM 987 C CG . ASN B 2 27 ? -17.280 14.419 11.252 1.00 87.93 27 B 1 ATOM 988 O OD1 . ASN B 2 27 ? -16.301 14.426 11.967 1.00 79.83 27 B 1 ATOM 989 N ND2 . ASN B 2 27 ? -17.763 15.560 10.811 1.00 77.29 27 B 1 ATOM 990 N N . TRP B 2 28 ? -18.138 10.138 9.403 1.00 95.29 28 B 1 ATOM 991 C CA . TRP B 2 28 ? -18.923 8.921 9.199 1.00 95.16 28 B 1 ATOM 992 C C . TRP B 2 28 ? -18.329 8.141 8.037 1.00 95.64 28 B 1 ATOM 993 O O . TRP B 2 28 ? -17.761 8.738 7.121 1.00 93.97 28 B 1 ATOM 994 C CB . TRP B 2 28 ? -20.388 9.280 8.895 1.00 93.47 28 B 1 ATOM 995 C CG . TRP B 2 28 ? -20.983 10.337 9.772 1.00 87.74 28 B 1 ATOM 996 C CD1 . TRP B 2 28 ? -21.121 11.639 9.439 1.00 79.56 28 B 1 ATOM 997 C CD2 . TRP B 2 28 ? -21.471 10.206 11.146 1.00 82.81 28 B 1 ATOM 998 N NE1 . TRP B 2 28 ? -21.659 12.340 10.514 1.00 72.18 28 B 1 ATOM 999 C CE2 . TRP B 2 28 ? -21.883 11.495 11.582 1.00 77.52 28 B 1 ATOM 1000 C CE3 . TRP B 2 28 ? -21.594 9.134 12.053 1.00 69.89 28 B 1 ATOM 1001 C CZ2 . TRP B 2 28 ? -22.386 11.716 12.884 1.00 72.80 28 B 1 ATOM 1002 C CZ3 . TRP B 2 28 ? -22.100 9.351 13.342 1.00 67.07 28 B 1 ATOM 1003 C CH2 . TRP B 2 28 ? -22.484 10.633 13.758 1.00 67.14 28 B 1 ATOM 1004 N N . GLU B 2 29 ? -18.529 6.819 8.067 1.00 95.43 29 B 1 ATOM 1005 C CA . GLU B 2 29 ? -18.201 5.937 6.948 1.00 95.67 29 B 1 ATOM 1006 C C . GLU B 2 29 ? -18.968 6.365 5.688 1.00 95.56 29 B 1 ATOM 1007 O O . GLU B 2 29 ? -20.136 6.763 5.748 1.00 93.51 29 B 1 ATOM 1008 C CB . GLU B 2 29 ? -18.517 4.490 7.343 1.00 94.67 29 B 1 ATOM 1009 C CG . GLU B 2 29 ? -17.526 3.982 8.404 1.00 91.43 29 B 1 ATOM 1010 C CD . GLU B 2 29 ? -18.061 2.896 9.342 1.00 90.30 29 B 1 ATOM 1011 O OE1 . GLU B 2 29 ? -17.237 2.411 10.155 1.00 82.13 29 B 1 ATOM 1012 O OE2 . GLU B 2 29 ? -19.288 2.650 9.343 1.00 83.47 29 B 1 ATOM 1013 N N . LEU B 2 30 ? -18.287 6.322 4.546 1.00 96.42 30 B 1 ATOM 1014 C CA . LEU B 2 30 ? -18.829 6.739 3.248 1.00 95.81 30 B 1 ATOM 1015 C C . LEU B 2 30 ? -19.509 5.577 2.511 1.00 95.98 30 B 1 ATOM 1016 O O . LEU B 2 30 ? -20.291 5.823 1.594 1.00 93.48 30 B 1 ATOM 1017 C CB . LEU B 2 30 ? -17.711 7.379 2.405 1.00 95.08 30 B 1 ATOM 1018 C CG . LEU B 2 30 ? -17.065 8.643 3.018 1.00 94.28 30 B 1 ATOM 1019 C CD1 . LEU B 2 30 ? -15.926 9.133 2.123 1.00 91.51 30 B 1 ATOM 1020 C CD2 . LEU B 2 30 ? -18.066 9.792 3.173 1.00 90.84 30 B 1 ATOM 1021 N N . GLY B 2 31 ? -19.233 4.326 2.907 1.00 96.15 31 B 1 ATOM 1022 C CA . GLY B 2 31 ? -19.851 3.122 2.356 1.00 96.02 31 B 1 ATOM 1023 C C . GLY B 2 31 ? -19.381 2.791 0.942 1.00 96.95 31 B 1 ATOM 1024 O O . GLY B 2 31 ? -20.208 2.618 0.044 1.00 95.09 31 B 1 ATOM 1025 N N . PHE B 2 32 ? -18.070 2.751 0.717 1.00 97.44 32 B 1 ATOM 1026 C CA . PHE B 2 32 ? -17.516 2.343 -0.574 1.00 97.56 32 B 1 ATOM 1027 C C . PHE B 2 32 ? -17.684 0.834 -0.776 1.00 97.57 32 B 1 ATOM 1028 O O . PHE B 2 32 ? -17.116 0.029 -0.040 1.00 96.37 32 B 1 ATOM 1029 C CB . PHE B 2 32 ? -16.044 2.746 -0.684 1.00 97.13 32 B 1 ATOM 1030 C CG . PHE B 2 32 ? -15.816 4.239 -0.741 1.00 97.13 32 B 1 ATOM 1031 C CD1 . PHE B 2 32 ? -16.069 4.946 -1.929 1.00 95.70 32 B 1 ATOM 1032 C CD2 . PHE B 2 32 ? -15.353 4.931 0.392 1.00 95.79 32 B 1 ATOM 1033 C CE1 . PHE B 2 32 ? -15.857 6.335 -1.989 1.00 94.84 32 B 1 ATOM 1034 C CE2 . PHE B 2 32 ? -15.141 6.320 0.339 1.00 94.91 32 B 1 ATOM 1035 C CZ . PHE B 2 32 ? -15.394 7.023 -0.853 1.00 95.31 32 B 1 ATOM 1036 N N . GLU B 2 33 ? -18.411 0.440 -1.823 1.00 97.63 33 B 1 ATOM 1037 C CA . GLU B 2 33 ? -18.669 -0.950 -2.185 1.00 97.67 33 B 1 ATOM 1038 C C . GLU B 2 33 ? -18.008 -1.296 -3.522 1.00 98.00 33 B 1 ATOM 1039 O O . GLU B 2 33 ? -17.985 -0.485 -4.455 1.00 97.13 33 B 1 ATOM 1040 C CB . GLU B 2 33 ? -20.181 -1.223 -2.245 1.00 96.35 33 B 1 ATOM 1041 C CG . GLU B 2 33 ? -20.884 -1.078 -0.882 1.00 86.50 33 B 1 ATOM 1042 C CD . GLU B 2 33 ? -22.383 -1.449 -0.923 1.00 81.57 33 B 1 ATOM 1043 O OE1 . GLU B 2 33 ? -23.017 -1.448 0.156 1.00 74.13 33 B 1 ATOM 1044 O OE2 . GLU B 2 33 ? -22.914 -1.745 -2.021 1.00 74.29 33 B 1 ATOM 1045 N N . GLU B 2 34 ? -17.502 -2.532 -3.647 1.00 97.53 34 B 1 ATOM 1046 C CA . GLU B 2 34 ? -16.936 -3.019 -4.900 1.00 97.43 34 B 1 ATOM 1047 C C . GLU B 2 34 ? -17.951 -2.926 -6.056 1.00 97.58 34 B 1 ATOM 1048 O O . GLU B 2 34 ? -19.101 -3.343 -5.957 1.00 96.36 34 B 1 ATOM 1049 C CB . GLU B 2 34 ? -16.424 -4.463 -4.774 1.00 96.04 34 B 1 ATOM 1050 C CG . GLU B 2 34 ? -15.164 -4.625 -3.906 1.00 89.39 34 B 1 ATOM 1051 C CD . GLU B 2 34 ? -15.398 -4.750 -2.396 1.00 89.52 34 B 1 ATOM 1052 O OE1 . GLU B 2 34 ? -14.374 -4.915 -1.679 1.00 82.57 34 B 1 ATOM 1053 O OE2 . GLU B 2 34 ? -16.563 -4.705 -1.952 1.00 83.79 34 B 1 ATOM 1054 N N . GLY B 2 35 ? -17.497 -2.400 -7.195 1.00 97.97 35 B 1 ATOM 1055 C CA . GLY B 2 35 ? -18.325 -2.174 -8.384 1.00 97.84 35 B 1 ATOM 1056 C C . GLY B 2 35 ? -19.074 -0.837 -8.397 1.00 98.06 35 B 1 ATOM 1057 O O . GLY B 2 35 ? -19.658 -0.480 -9.426 1.00 96.78 35 B 1 ATOM 1058 N N . GLN B 2 36 ? -19.034 -0.069 -7.309 1.00 98.07 36 B 1 ATOM 1059 C CA . GLN B 2 36 ? -19.584 1.285 -7.286 1.00 97.97 36 B 1 ATOM 1060 C C . GLN B 2 36 ? -18.817 2.182 -8.264 1.00 98.09 36 B 1 ATOM 1061 O O . GLN B 2 36 ? -17.590 2.214 -8.270 1.00 97.38 36 B 1 ATOM 1062 C CB . GLN B 2 36 ? -19.542 1.834 -5.854 1.00 96.92 36 B 1 ATOM 1063 C CG . GLN B 2 36 ? -20.196 3.219 -5.717 1.00 90.00 36 B 1 ATOM 1064 C CD . GLN B 2 36 ? -20.103 3.781 -4.292 1.00 91.52 36 B 1 ATOM 1065 O OE1 . GLN B 2 36 ? -19.480 3.224 -3.406 1.00 84.23 36 B 1 ATOM 1066 N NE2 . GLN B 2 36 ? -20.704 4.916 -4.028 1.00 82.97 36 B 1 ATOM 1067 N N . ILE B 2 37 ? -19.552 2.934 -9.079 1.00 97.79 37 B 1 ATOM 1068 C CA . ILE B 2 37 ? -18.982 3.930 -9.991 1.00 97.51 37 B 1 ATOM 1069 C C . ILE B 2 37 ? -19.201 5.319 -9.402 1.00 97.19 37 B 1 ATOM 1070 O O . ILE B 2 37 ? -20.333 5.730 -9.149 1.00 95.58 37 B 1 ATOM 1071 C CB . ILE B 2 37 ? -19.546 3.801 -11.420 1.00 96.72 37 B 1 ATOM 1072 C CG1 . ILE B 2 37 ? -19.251 2.391 -11.987 1.00 94.29 37 B 1 ATOM 1073 C CG2 . ILE B 2 37 ? -18.942 4.895 -12.326 1.00 94.21 37 B 1 ATOM 1074 C CD1 . ILE B 2 37 ? -19.872 2.120 -13.362 1.00 85.56 37 B 1 ATOM 1075 N N . ILE B 2 38 ? -18.104 6.049 -9.231 1.00 97.51 38 B 1 ATOM 1076 C CA . ILE B 2 38 ? -18.075 7.412 -8.713 1.00 96.81 38 B 1 ATOM 1077 C C . ILE B 2 38 ? -17.664 8.341 -9.847 1.00 97.10 38 B 1 ATOM 1078 O O . ILE B 2 38 ? -16.710 8.072 -10.569 1.00 96.03 38 B 1 ATOM 1079 C CB . ILE B 2 38 ? -17.132 7.508 -7.492 1.00 94.75 38 B 1 ATOM 1080 C CG1 . ILE B 2 38 ? -17.581 6.511 -6.393 1.00 86.75 38 B 1 ATOM 1081 C CG2 . ILE B 2 38 ? -17.099 8.952 -6.949 1.00 83.25 38 B 1 ATOM 1082 C CD1 . ILE B 2 38 ? -16.616 6.423 -5.211 1.00 78.39 38 B 1 ATOM 1083 N N . THR B 2 39 ? -18.384 9.444 -10.010 1.00 96.30 39 B 1 ATOM 1084 C CA . THR B 2 39 ? -18.003 10.518 -10.931 1.00 96.08 39 B 1 ATOM 1085 C C . THR B 2 39 ? -17.637 11.738 -10.106 1.00 95.82 39 B 1 ATOM 1086 O O . THR B 2 39 ? -18.449 12.197 -9.308 1.00 94.23 39 B 1 ATOM 1087 C CB . THR B 2 39 ? -19.126 10.844 -11.924 1.00 95.09 39 B 1 ATOM 1088 O OG1 . THR B 2 39 ? -19.524 9.670 -12.610 1.00 90.21 39 B 1 ATOM 1089 C CG2 . THR B 2 39 ? -18.683 11.854 -12.983 1.00 89.63 39 B 1 ATOM 1090 N N . LEU B 2 40 ? -16.416 12.255 -10.283 1.00 95.38 40 B 1 ATOM 1091 C CA . LEU B 2 40 ? -15.965 13.437 -9.558 1.00 95.04 40 B 1 ATOM 1092 C C . LEU B 2 40 ? -16.771 14.663 -10.001 1.00 94.80 40 B 1 ATOM 1093 O O . LEU B 2 40 ? -16.754 15.051 -11.167 1.00 93.48 40 B 1 ATOM 1094 C CB . LEU B 2 40 ? -14.456 13.650 -9.756 1.00 94.72 40 B 1 ATOM 1095 C CG . LEU B 2 40 ? -13.549 12.489 -9.296 1.00 93.59 40 B 1 ATOM 1096 C CD1 . LEU B 2 40 ? -12.083 12.919 -9.398 1.00 90.94 40 B 1 ATOM 1097 C CD2 . LEU B 2 40 ? -13.829 12.050 -7.859 1.00 90.34 40 B 1 ATOM 1098 N N . GLU B 2 41 ? -17.461 15.310 -9.051 1.00 94.36 41 B 1 ATOM 1099 C CA . GLU B 2 41 ? -18.232 16.529 -9.334 1.00 93.80 41 B 1 ATOM 1100 C C . GLU B 2 41 ? -17.343 17.777 -9.436 1.00 94.15 41 B 1 ATOM 1101 O O . GLU B 2 41 ? -17.710 18.769 -10.066 1.00 91.81 41 B 1 ATOM 1102 C CB . GLU B 2 41 ? -19.276 16.761 -8.237 1.00 92.92 41 B 1 ATOM 1103 C CG . GLU B 2 41 ? -20.353 15.667 -8.163 1.00 83.43 41 B 1 ATOM 1104 C CD . GLU B 2 41 ? -21.490 16.027 -7.188 1.00 74.55 41 B 1 ATOM 1105 O OE1 . GLU B 2 41 ? -22.534 15.343 -7.235 1.00 66.79 41 B 1 ATOM 1106 O OE2 . GLU B 2 41 ? -21.340 17.010 -6.415 1.00 68.58 41 B 1 ATOM 1107 N N . ARG B 2 42 ? -16.164 17.731 -8.787 1.00 92.52 42 B 1 ATOM 1108 C CA . ARG B 2 42 ? -15.161 18.797 -8.738 1.00 92.64 42 B 1 ATOM 1109 C C . ARG B 2 42 ? -13.783 18.201 -8.964 1.00 93.56 42 B 1 ATOM 1110 O O . ARG B 2 42 ? -13.613 16.984 -8.865 1.00 92.20 42 B 1 ATOM 1111 C CB . ARG B 2 42 ? -15.218 19.513 -7.380 1.00 89.43 42 B 1 ATOM 1112 C CG . ARG B 2 42 ? -16.576 20.181 -7.151 1.00 76.72 42 B 1 ATOM 1113 C CD . ARG B 2 42 ? -16.551 20.986 -5.857 1.00 73.73 42 B 1 ATOM 1114 N NE . ARG B 2 42 ? -17.874 21.567 -5.599 1.00 63.47 42 B 1 ATOM 1115 C CZ . ARG B 2 42 ? -18.213 22.284 -4.543 1.00 55.95 42 B 1 ATOM 1116 N NH1 . ARG B 2 42 ? -17.344 22.568 -3.612 1.00 51.31 42 B 1 ATOM 1117 N NH2 . ARG B 2 42 ? -19.438 22.714 -4.417 1.00 46.89 42 B 1 ATOM 1118 N N . TYR B 2 43 ? -12.797 19.074 -9.213 1.00 91.85 43 B 1 ATOM 1119 C CA . TYR B 2 43 ? -11.412 18.627 -9.200 1.00 91.77 43 B 1 ATOM 1120 C C . TYR B 2 43 ? -11.058 18.064 -7.818 1.00 92.00 43 B 1 ATOM 1121 O O . TYR B 2 43 ? -11.566 18.515 -6.787 1.00 90.78 43 B 1 ATOM 1122 C CB . TYR B 2 43 ? -10.455 19.758 -9.609 1.00 89.65 43 B 1 ATOM 1123 C CG . TYR B 2 43 ? -10.178 20.768 -8.513 1.00 86.91 43 B 1 ATOM 1124 C CD1 . TYR B 2 43 ? -11.046 21.859 -8.313 1.00 83.63 43 B 1 ATOM 1125 C CD2 . TYR B 2 43 ? -9.087 20.587 -7.638 1.00 84.18 43 B 1 ATOM 1126 C CE1 . TYR B 2 43 ? -10.842 22.743 -7.246 1.00 80.53 43 B 1 ATOM 1127 C CE2 . TYR B 2 43 ? -8.878 21.466 -6.561 1.00 80.34 43 B 1 ATOM 1128 C CZ . TYR B 2 43 ? -9.764 22.539 -6.365 1.00 79.61 43 B 1 ATOM 1129 O OH . TYR B 2 43 ? -9.581 23.381 -5.298 1.00 76.52 43 B 1 ATOM 1130 N N . GLU B 2 44 ? -10.139 17.106 -7.796 1.00 93.88 44 B 1 ATOM 1131 C CA . GLU B 2 44 ? -9.575 16.572 -6.566 1.00 93.48 44 B 1 ATOM 1132 C C . GLU B 2 44 ? -8.051 16.598 -6.613 1.00 93.41 44 B 1 ATOM 1133 O O . GLU B 2 44 ? -7.452 16.265 -7.634 1.00 92.20 44 B 1 ATOM 1134 C CB . GLU B 2 44 ? -10.067 15.152 -6.293 1.00 92.61 44 B 1 ATOM 1135 C CG . GLU B 2 44 ? -11.579 15.052 -6.066 1.00 88.59 44 B 1 ATOM 1136 C CD . GLU B 2 44 ? -11.941 13.745 -5.353 1.00 89.87 44 B 1 ATOM 1137 O OE1 . GLU B 2 44 ? -12.845 13.809 -4.491 1.00 83.41 44 B 1 ATOM 1138 O OE2 . GLU B 2 44 ? -11.243 12.730 -5.559 1.00 85.01 44 B 1 ATOM 1139 N N . SER B 2 45 ? -7.436 16.967 -5.481 1.00 91.86 45 B 1 ATOM 1140 C CA . SER B 2 45 ? -5.995 16.832 -5.276 1.00 90.69 45 B 1 ATOM 1141 C C . SER B 2 45 ? -5.659 15.407 -4.854 1.00 91.05 45 B 1 ATOM 1142 O O . SER B 2 45 ? -6.195 14.908 -3.863 1.00 89.82 45 B 1 ATOM 1143 C CB . SER B 2 45 ? -5.494 17.795 -4.199 1.00 87.73 45 B 1 ATOM 1144 O OG . SER B 2 45 ? -5.686 19.141 -4.579 1.00 77.07 45 B 1 ATOM 1145 N N . TRP B 2 46 ? -4.749 14.785 -5.592 1.00 91.80 46 B 1 ATOM 1146 C CA . TRP B 2 46 ? -4.131 13.492 -5.319 1.00 92.21 46 B 1 ATOM 1147 C C . TRP B 2 46 ? -2.615 13.671 -5.240 1.00 91.32 46 B 1 ATOM 1148 O O . TRP B 2 46 ? -2.096 14.748 -5.552 1.00 89.16 46 B 1 ATOM 1149 C CB . TRP B 2 46 ? -4.559 12.491 -6.396 1.00 93.27 46 B 1 ATOM 1150 C CG . TRP B 2 46 ? -5.998 12.065 -6.344 1.00 93.64 46 B 1 ATOM 1151 C CD1 . TRP B 2 46 ? -7.069 12.856 -6.579 1.00 92.39 46 B 1 ATOM 1152 C CD2 . TRP B 2 46 ? -6.538 10.743 -6.019 1.00 94.11 46 B 1 ATOM 1153 N NE1 . TRP B 2 46 ? -8.242 12.126 -6.414 1.00 93.24 46 B 1 ATOM 1154 C CE2 . TRP B 2 46 ? -7.957 10.825 -6.071 1.00 94.09 46 B 1 ATOM 1155 C CE3 . TRP B 2 46 ? -5.961 9.504 -5.683 1.00 94.17 46 B 1 ATOM 1156 C CZ2 . TRP B 2 46 ? -8.781 9.714 -5.787 1.00 94.35 46 B 1 ATOM 1157 C CZ3 . TRP B 2 46 ? -6.783 8.395 -5.411 1.00 93.24 46 B 1 ATOM 1158 C CH2 . TRP B 2 46 ? -8.178 8.502 -5.457 1.00 93.56 46 B 1 ATOM 1159 N N . THR B 2 47 ? -1.891 12.629 -4.823 1.00 90.24 47 B 1 ATOM 1160 C CA . THR B 2 47 ? -0.426 12.644 -4.751 1.00 89.55 47 B 1 ATOM 1161 C C . THR B 2 47 ? 0.156 11.411 -5.439 1.00 90.10 47 B 1 ATOM 1162 O O . THR B 2 47 ? -0.492 10.366 -5.527 1.00 89.27 47 B 1 ATOM 1163 C CB . THR B 2 47 ? 0.071 12.742 -3.297 1.00 87.32 47 B 1 ATOM 1164 O OG1 . THR B 2 47 ? -0.395 11.656 -2.536 1.00 76.98 47 B 1 ATOM 1165 C CG2 . THR B 2 47 ? -0.399 14.018 -2.601 1.00 77.22 47 B 1 ATOM 1166 N N . THR B 2 48 ? 1.391 11.508 -5.939 1.00 87.23 48 B 1 ATOM 1167 C CA . THR B 2 48 ? 2.134 10.349 -6.473 1.00 84.77 48 B 1 ATOM 1168 C C . THR B 2 48 ? 2.742 9.479 -5.372 1.00 81.78 48 B 1 ATOM 1169 O O . THR B 2 48 ? 3.107 8.326 -5.604 1.00 72.67 48 B 1 ATOM 1170 C CB . THR B 2 48 ? 3.241 10.807 -7.434 1.00 82.96 48 B 1 ATOM 1171 O OG1 . THR B 2 48 ? 4.027 11.817 -6.841 1.00 77.03 48 B 1 ATOM 1172 C CG2 . THR B 2 48 ? 2.658 11.406 -8.713 1.00 76.38 48 B 1 ATOM 1173 N N . GLY B 2 49 ? 2.813 10.010 -4.171 1.00 77.18 49 B 1 ATOM 1174 C CA . GLY B 2 49 ? 3.352 9.442 -2.945 1.00 72.49 49 B 1 ATOM 1175 C C . GLY B 2 49 ? 3.423 10.548 -1.900 1.00 70.71 49 B 1 ATOM 1176 O O . GLY B 2 49 ? 3.052 11.683 -2.185 1.00 62.39 49 B 1 ATOM 1177 N N . GLY B 2 50 ? 3.900 10.236 -0.680 1.00 63.90 50 B 1 ATOM 1178 C CA . GLY B 2 50 ? 4.201 11.256 0.327 1.00 61.61 50 B 1 ATOM 1179 C C . GLY B 2 50 ? 3.332 11.221 1.581 1.00 63.12 50 B 1 ATOM 1180 O O . GLY B 2 50 ? 2.738 10.196 1.931 1.00 58.72 50 B 1 ATOM 1181 N N . ASP B 2 51 ? 3.359 12.356 2.310 1.00 63.56 51 B 1 ATOM 1182 C CA . ASP B 2 51 ? 2.827 12.463 3.666 1.00 62.94 51 B 1 ATOM 1183 C C . ASP B 2 51 ? 1.301 12.344 3.707 1.00 64.42 51 B 1 ATOM 1184 O O . ASP B 2 51 ? 0.558 13.268 3.383 1.00 59.42 51 B 1 ATOM 1185 C CB . ASP B 2 51 ? 3.288 13.779 4.321 1.00 57.44 51 B 1 ATOM 1186 C CG . ASP B 2 51 ? 4.622 13.678 5.070 1.00 52.02 51 B 1 ATOM 1187 O OD1 . ASP B 2 51 ? 4.912 12.583 5.601 1.00 48.30 51 B 1 ATOM 1188 O OD2 . ASP B 2 51 ? 5.299 14.722 5.176 1.00 45.60 51 B 1 ATOM 1189 N N . PHE B 2 52 ? 0.841 11.205 4.256 1.00 63.29 52 B 1 ATOM 1190 C CA . PHE B 2 52 ? -0.529 10.916 4.668 1.00 62.35 52 B 1 ATOM 1191 C C . PHE B 2 52 ? -0.953 11.749 5.897 1.00 63.87 52 B 1 ATOM 1192 O O . PHE B 2 52 ? -1.701 11.283 6.759 1.00 60.43 52 B 1 ATOM 1193 C CB . PHE B 2 52 ? -0.634 9.405 4.931 1.00 58.04 52 B 1 ATOM 1194 C CG . PHE B 2 52 ? -0.459 8.534 3.698 1.00 55.65 52 B 1 ATOM 1195 C CD1 . PHE B 2 52 ? -1.590 8.082 2.998 1.00 52.36 52 B 1 ATOM 1196 C CD2 . PHE B 2 52 ? 0.811 8.172 3.242 1.00 51.07 52 B 1 ATOM 1197 C CE1 . PHE B 2 52 ? -1.461 7.305 1.839 1.00 47.10 52 B 1 ATOM 1198 C CE2 . PHE B 2 52 ? 0.943 7.403 2.072 1.00 47.41 52 B 1 ATOM 1199 C CZ . PHE B 2 52 ? -0.197 6.975 1.368 1.00 45.38 52 B 1 ATOM 1200 N N . THR B 2 53 ? -0.448 12.980 6.049 1.00 66.13 53 B 1 ATOM 1201 C CA . THR B 2 53 ? -0.733 13.810 7.221 1.00 65.37 53 B 1 ATOM 1202 C C . THR B 2 53 ? -2.120 14.432 7.097 1.00 66.78 53 B 1 ATOM 1203 O O . THR B 2 53 ? -2.294 15.619 6.823 1.00 62.18 53 B 1 ATOM 1204 C CB . THR B 2 53 ? 0.358 14.856 7.504 1.00 59.14 53 B 1 ATOM 1205 O OG1 . THR B 2 53 ? 1.640 14.307 7.351 1.00 52.12 53 B 1 ATOM 1206 C CG2 . THR B 2 53 ? 0.273 15.339 8.952 1.00 49.89 53 B 1 ATOM 1207 N N . VAL B 2 54 ? -3.148 13.627 7.338 1.00 66.74 54 B 1 ATOM 1208 C CA . VAL B 2 54 ? -4.507 14.145 7.455 1.00 66.53 54 B 1 ATOM 1209 C C . VAL B 2 54 ? -4.608 14.947 8.754 1.00 67.69 54 B 1 ATOM 1210 O O . VAL B 2 54 ? -4.705 14.393 9.847 1.00 63.91 54 B 1 ATOM 1211 C CB . VAL B 2 54 ? -5.567 13.041 7.369 1.00 61.74 54 B 1 ATOM 1212 C CG1 . VAL B 2 54 ? -6.930 13.696 7.167 1.00 55.98 54 B 1 ATOM 1213 C CG2 . VAL B 2 54 ? -5.328 12.076 6.203 1.00 57.29 54 B 1 ATOM 1214 N N . CYS B 2 55 ? -4.587 16.279 8.643 1.00 65.69 55 B 1 ATOM 1215 C CA . CYS B 2 55 ? -4.619 17.205 9.783 1.00 65.85 55 B 1 ATOM 1216 C C . CYS B 2 55 ? -5.975 17.297 10.503 1.00 68.64 55 B 1 ATOM 1217 O O . CYS B 2 55 ? -6.086 18.024 11.488 1.00 63.58 55 B 1 ATOM 1218 C CB . CYS B 2 55 ? -4.206 18.601 9.291 1.00 59.41 55 B 1 ATOM 1219 S SG . CYS B 2 55 ? -2.446 18.645 8.870 1.00 50.73 55 B 1 ATOM 1220 N N . ASN B 2 56 ? -7.028 16.635 10.010 1.00 72.61 56 B 1 ATOM 1221 C CA . ASN B 2 56 ? -8.357 16.758 10.601 1.00 74.08 56 B 1 ATOM 1222 C C . ASN B 2 56 ? -8.534 15.799 11.786 1.00 77.14 56 B 1 ATOM 1223 O O . ASN B 2 56 ? -8.113 14.651 11.729 1.00 72.62 56 B 1 ATOM 1224 C CB . ASN B 2 56 ? -9.426 16.545 9.522 1.00 68.63 56 B 1 ATOM 1225 C CG . ASN B 2 56 ? -9.513 17.672 8.508 1.00 63.75 56 B 1 ATOM 1226 O OD1 . ASN B 2 56 ? -9.019 18.768 8.685 1.00 57.49 56 B 1 ATOM 1227 N ND2 . ASN B 2 56 ? -10.198 17.433 7.412 1.00 57.58 56 B 1 ATOM 1228 N N . ASP B 2 57 ? -9.269 16.231 12.827 1.00 80.68 57 B 1 ATOM 1229 C CA . ASP B 2 57 ? -9.633 15.404 13.994 1.00 82.66 57 B 1 ATOM 1230 C C . ASP B 2 57 ? -10.838 14.473 13.738 1.00 86.30 57 B 1 ATOM 1231 O O . ASP B 2 57 ? -11.529 14.044 14.661 1.00 80.46 57 B 1 ATOM 1232 C CB . ASP B 2 57 ? -9.887 16.317 15.209 1.00 76.24 57 B 1 ATOM 1233 C CG . ASP B 2 57 ? -8.643 17.040 15.724 1.00 67.26 57 B 1 ATOM 1234 O OD1 . ASP B 2 57 ? -7.543 16.453 15.657 1.00 59.62 57 B 1 ATOM 1235 O OD2 . ASP B 2 57 ? -8.819 18.174 16.223 1.00 59.95 57 B 1 ATOM 1236 N N . CYS B 2 58 ? -11.155 14.180 12.471 1.00 87.47 58 B 1 ATOM 1237 C CA . CYS B 2 58 ? -12.264 13.288 12.144 1.00 88.91 58 B 1 ATOM 1238 C C . CYS B 2 58 ? -11.912 11.827 12.495 1.00 90.16 58 B 1 ATOM 1239 O O . CYS B 2 58 ? -10.769 11.411 12.300 1.00 88.65 58 B 1 ATOM 1240 C CB . CYS B 2 58 ? -12.661 13.443 10.673 1.00 86.57 58 B 1 ATOM 1241 S SG . CYS B 2 58 ? -13.338 15.102 10.352 1.00 82.78 58 B 1 ATOM 1242 N N . PRO B 2 59 ? -12.895 11.042 13.004 1.00 91.65 59 B 1 ATOM 1243 C CA . PRO B 2 59 ? -12.626 9.695 13.523 1.00 92.08 59 B 1 ATOM 1244 C C . PRO B 2 59 ? -12.402 8.631 12.448 1.00 93.12 59 B 1 ATOM 1245 O O . PRO B 2 59 ? -11.774 7.618 12.739 1.00 90.86 59 B 1 ATOM 1246 C CB . PRO B 2 59 ? -13.849 9.364 14.384 1.00 90.06 59 B 1 ATOM 1247 C CG . PRO B 2 59 ? -14.976 10.148 13.717 1.00 88.91 59 B 1 ATOM 1248 C CD . PRO B 2 59 ? -14.275 11.420 13.258 1.00 91.82 59 B 1 ATOM 1249 N N . VAL B 2 60 ? -12.935 8.818 11.237 1.00 93.49 60 B 1 ATOM 1250 C CA . VAL B 2 60 ? -12.820 7.852 10.135 1.00 94.03 60 B 1 ATOM 1251 C C . VAL B 2 60 ? -11.774 8.349 9.150 1.00 94.13 60 B 1 ATOM 1252 O O . VAL B 2 60 ? -11.897 9.455 8.622 1.00 92.99 60 B 1 ATOM 1253 C CB . VAL B 2 60 ? -14.166 7.610 9.436 1.00 93.62 60 B 1 ATOM 1254 C CG1 . VAL B 2 60 ? -14.050 6.478 8.417 1.00 91.30 60 B 1 ATOM 1255 C CG2 . VAL B 2 60 ? -15.268 7.237 10.435 1.00 91.82 60 B 1 ATOM 1256 N N . GLU B 2 61 ? -10.758 7.521 8.909 1.00 94.36 61 B 1 ATOM 1257 C CA . GLU B 2 61 ? -9.653 7.818 8.000 1.00 93.92 61 B 1 ATOM 1258 C C . GLU B 2 61 ? -9.705 6.891 6.783 1.00 94.21 61 B 1 ATOM 1259 O O . GLU B 2 61 ? -9.944 5.689 6.913 1.00 93.53 61 B 1 ATOM 1260 C CB . GLU B 2 61 ? -8.329 7.726 8.775 1.00 92.30 61 B 1 ATOM 1261 C CG . GLU B 2 61 ? -7.109 8.192 7.971 1.00 87.76 61 B 1 ATOM 1262 C CD . GLU B 2 61 ? -5.844 8.371 8.839 1.00 86.08 61 B 1 ATOM 1263 O OE1 . GLU B 2 61 ? -4.741 8.469 8.273 1.00 80.17 61 B 1 ATOM 1264 O OE2 . GLU B 2 61 ? -5.969 8.509 10.078 1.00 80.26 61 B 1 ATOM 1265 N N . TYR B 2 62 ? -9.499 7.458 5.601 1.00 94.19 62 B 1 ATOM 1266 C CA . TYR B 2 62 ? -9.446 6.740 4.334 1.00 94.43 62 B 1 ATOM 1267 C C . TYR B 2 62 ? -8.141 7.022 3.613 1.00 93.85 62 B 1 ATOM 1268 O O . TYR B 2 62 ? -7.781 8.186 3.414 1.00 92.88 62 B 1 ATOM 1269 C CB . TYR B 2 62 ? -10.598 7.163 3.425 1.00 94.98 62 B 1 ATOM 1270 C CG . TYR B 2 62 ? -11.953 6.685 3.867 1.00 95.70 62 B 1 ATOM 1271 C CD1 . TYR B 2 62 ? -12.433 5.443 3.419 1.00 94.91 62 B 1 ATOM 1272 C CD2 . TYR B 2 62 ? -12.750 7.481 4.716 1.00 95.23 62 B 1 ATOM 1273 C CE1 . TYR B 2 62 ? -13.695 4.990 3.814 1.00 95.11 62 B 1 ATOM 1274 C CE2 . TYR B 2 62 ? -14.015 7.031 5.122 1.00 95.26 62 B 1 ATOM 1275 C CZ . TYR B 2 62 ? -14.484 5.783 4.669 1.00 95.90 62 B 1 ATOM 1276 O OH . TYR B 2 62 ? -15.713 5.334 5.066 1.00 95.43 62 B 1 ATOM 1277 N N . HIS B 2 63 ? -7.520 5.952 3.120 1.00 93.75 63 B 1 ATOM 1278 C CA . HIS B 2 63 ? -6.425 6.004 2.159 1.00 93.46 63 B 1 ATOM 1279 C C . HIS B 2 63 ? -6.908 5.463 0.818 1.00 93.83 63 B 1 ATOM 1280 O O . HIS B 2 63 ? -7.201 4.273 0.664 1.00 93.18 63 B 1 ATOM 1281 C CB . HIS B 2 63 ? -5.220 5.236 2.691 1.00 92.12 63 B 1 ATOM 1282 C CG . HIS B 2 63 ? -4.678 5.847 3.948 1.00 83.15 63 B 1 ATOM 1283 N ND1 . HIS B 2 63 ? -3.904 6.985 4.043 1.00 70.43 63 B 1 ATOM 1284 C CD2 . HIS B 2 63 ? -4.943 5.435 5.226 1.00 70.90 63 B 1 ATOM 1285 C CE1 . HIS B 2 63 ? -3.719 7.251 5.347 1.00 68.72 63 B 1 ATOM 1286 N NE2 . HIS B 2 63 ? -4.328 6.326 6.096 1.00 69.74 63 B 1 ATOM 1287 N N . PHE B 2 64 ? -7.003 6.353 -0.168 1.00 94.52 64 B 1 ATOM 1288 C CA . PHE B 2 64 ? -7.421 6.034 -1.521 1.00 94.71 64 B 1 ATOM 1289 C C . PHE B 2 64 ? -6.220 5.785 -2.427 1.00 94.21 64 B 1 ATOM 1290 O O . PHE B 2 64 ? -5.204 6.462 -2.343 1.00 93.24 64 B 1 ATOM 1291 C CB . PHE B 2 64 ? -8.306 7.154 -2.071 1.00 95.02 64 B 1 ATOM 1292 C CG . PHE B 2 64 ? -9.570 7.431 -1.283 1.00 95.38 64 B 1 ATOM 1293 C CD1 . PHE B 2 64 ? -10.355 6.377 -0.785 1.00 94.19 64 B 1 ATOM 1294 C CD2 . PHE B 2 64 ? -9.984 8.757 -1.062 1.00 94.21 64 B 1 ATOM 1295 C CE1 . PHE B 2 64 ? -11.538 6.638 -0.071 1.00 93.82 64 B 1 ATOM 1296 C CE2 . PHE B 2 64 ? -11.165 9.022 -0.354 1.00 93.78 64 B 1 ATOM 1297 C CZ . PHE B 2 64 ? -11.943 7.960 0.142 1.00 94.51 64 B 1 ATOM 1298 N N . GLU B 2 65 ? -6.381 4.838 -3.361 1.00 94.24 65 B 1 ATOM 1299 C CA . GLU B 2 65 ? -5.413 4.591 -4.427 1.00 94.35 65 B 1 ATOM 1300 C C . GLU B 2 65 ? -6.138 4.330 -5.747 1.00 95.39 65 B 1 ATOM 1301 O O . GLU B 2 65 ? -7.117 3.595 -5.790 1.00 95.40 65 B 1 ATOM 1302 C CB . GLU B 2 65 ? -4.506 3.410 -4.038 1.00 92.65 65 B 1 ATOM 1303 C CG . GLU B 2 65 ? -3.422 3.104 -5.086 1.00 87.10 65 B 1 ATOM 1304 C CD . GLU B 2 65 ? -2.530 1.910 -4.702 1.00 84.30 65 B 1 ATOM 1305 O OE1 . GLU B 2 65 ? -1.686 1.478 -5.522 1.00 78.21 65 B 1 ATOM 1306 O OE2 . GLU B 2 65 ? -2.622 1.382 -3.575 1.00 78.43 65 B 1 ATOM 1307 N N . ILE B 2 66 ? -5.612 4.878 -6.843 1.00 95.10 66 B 1 ATOM 1308 C CA . ILE B 2 66 ? -6.036 4.504 -8.199 1.00 95.81 66 B 1 ATOM 1309 C C . ILE B 2 66 ? -5.009 3.522 -8.770 1.00 95.36 66 B 1 ATOM 1310 O O . ILE B 2 66 ? -3.843 3.863 -8.956 1.00 94.48 66 B 1 ATOM 1311 C CB . ILE B 2 66 ? -6.254 5.737 -9.096 1.00 96.44 66 B 1 ATOM 1312 C CG1 . ILE B 2 66 ? -7.307 6.687 -8.480 1.00 95.96 66 B 1 ATOM 1313 C CG2 . ILE B 2 66 ? -6.701 5.281 -10.496 1.00 95.76 66 B 1 ATOM 1314 C CD1 . ILE B 2 66 ? -7.406 8.035 -9.186 1.00 95.21 66 B 1 ATOM 1315 N N . GLU B 2 67 ? -5.426 2.280 -9.053 1.00 95.36 67 B 1 ATOM 1316 C CA . GLU B 2 67 ? -4.502 1.189 -9.400 1.00 94.59 67 B 1 ATOM 1317 C C . GLU B 2 67 ? -3.918 1.274 -10.821 1.00 94.52 67 B 1 ATOM 1318 O O . GLU B 2 67 ? -2.840 0.724 -11.083 1.00 92.25 67 B 1 ATOM 1319 C CB . GLU B 2 67 ? -5.194 -0.168 -9.189 1.00 92.73 67 B 1 ATOM 1320 C CG . GLU B 2 67 ? -6.363 -0.432 -10.147 1.00 89.81 67 B 1 ATOM 1321 C CD . GLU B 2 67 ? -6.878 -1.878 -10.116 1.00 90.00 67 B 1 ATOM 1322 O OE1 . GLU B 2 67 ? -7.730 -2.195 -10.972 1.00 86.22 67 B 1 ATOM 1323 O OE2 . GLU B 2 67 ? -6.374 -2.686 -9.302 1.00 87.21 67 B 1 ATOM 1324 N N . ASN B 2 68 ? -4.622 1.922 -11.743 1.00 95.79 68 B 1 ATOM 1325 C CA . ASN B 2 68 ? -4.240 2.069 -13.145 1.00 96.29 68 B 1 ATOM 1326 C C . ASN B 2 68 ? -3.850 3.512 -13.484 1.00 96.58 68 B 1 ATOM 1327 O O . ASN B 2 68 ? -3.935 4.408 -12.652 1.00 95.66 68 B 1 ATOM 1328 C CB . ASN B 2 68 ? -5.351 1.499 -14.050 1.00 95.53 68 B 1 ATOM 1329 C CG . ASN B 2 68 ? -6.658 2.267 -14.009 1.00 96.16 68 B 1 ATOM 1330 O OD1 . ASN B 2 68 ? -7.107 2.733 -12.983 1.00 92.01 68 B 1 ATOM 1331 N ND2 . ASN B 2 68 ? -7.327 2.369 -15.137 1.00 91.83 68 B 1 ATOM 1332 N N . GLU B 2 69 ? -3.386 3.716 -14.715 1.00 96.72 69 B 1 ATOM 1333 C CA . GLU B 2 69 ? -3.065 5.048 -15.208 1.00 96.76 69 B 1 ATOM 1334 C C . GLU B 2 69 ? -4.334 5.889 -15.348 1.00 96.92 69 B 1 ATOM 1335 O O . GLU B 2 69 ? -5.347 5.432 -15.874 1.00 95.86 69 B 1 ATOM 1336 C CB . GLU B 2 69 ? -2.307 4.974 -16.540 1.00 95.82 69 B 1 ATOM 1337 C CG . GLU B 2 69 ? -0.900 4.385 -16.347 1.00 88.23 69 B 1 ATOM 1338 C CD . GLU B 2 69 ? -0.104 4.227 -17.648 1.00 87.28 69 B 1 ATOM 1339 O OE1 . GLU B 2 69 ? 1.085 3.841 -17.536 1.00 80.59 69 B 1 ATOM 1340 O OE2 . GLU B 2 69 ? -0.676 4.433 -18.743 1.00 82.00 69 B 1 ATOM 1341 N N . VAL B 2 70 ? -4.245 7.139 -14.884 1.00 96.64 70 B 1 ATOM 1342 C CA . VAL B 2 70 ? -5.322 8.120 -14.988 1.00 96.54 70 B 1 ATOM 1343 C C . VAL B 2 70 ? -4.774 9.416 -15.586 1.00 96.44 70 B 1 ATOM 1344 O O . VAL B 2 70 ? -3.705 9.872 -15.169 1.00 95.47 70 B 1 ATOM 1345 C CB . VAL B 2 70 ? -6.024 8.312 -13.629 1.00 95.36 70 B 1 ATOM 1346 C CG1 . VAL B 2 70 ? -5.102 8.812 -12.516 1.00 89.98 70 B 1 ATOM 1347 C CG2 . VAL B 2 70 ? -7.218 9.260 -13.743 1.00 89.96 70 B 1 ATOM 1348 N N . PRO B 2 71 ? -5.475 10.014 -16.569 1.00 96.48 71 B 1 ATOM 1349 C CA . PRO B 2 71 ? -5.149 11.344 -17.058 1.00 96.04 71 B 1 ATOM 1350 C C . PRO B 2 71 ? -5.298 12.381 -15.943 1.00 96.12 71 B 1 ATOM 1351 O O . PRO B 2 71 ? -6.335 12.445 -15.280 1.00 95.25 71 B 1 ATOM 1352 C CB . PRO B 2 71 ? -6.112 11.613 -18.218 1.00 95.02 71 B 1 ATOM 1353 C CG . PRO B 2 71 ? -6.586 10.228 -18.638 1.00 92.91 71 B 1 ATOM 1354 C CD . PRO B 2 71 ? -6.582 9.461 -17.322 1.00 95.58 71 B 1 ATOM 1355 N N . CYS B 2 72 ? -4.259 13.199 -15.741 1.00 95.65 72 B 1 ATOM 1356 C CA . CYS B 2 72 ? -4.178 14.148 -14.639 1.00 95.45 72 B 1 ATOM 1357 C C . CYS B 2 72 ? -3.324 15.368 -15.003 1.00 95.24 72 B 1 ATOM 1358 O O . CYS B 2 72 ? -2.646 15.402 -16.038 1.00 94.05 72 B 1 ATOM 1359 C CB . CYS B 2 72 ? -3.647 13.404 -13.399 1.00 94.61 72 B 1 ATOM 1360 S SG . CYS B 2 72 ? -2.026 12.639 -13.718 1.00 93.49 72 B 1 ATOM 1361 N N . HIS B 2 73 ? -3.369 16.375 -14.132 1.00 92.44 73 B 1 ATOM 1362 C CA . HIS B 2 73 ? -2.525 17.560 -14.224 1.00 91.46 73 B 1 ATOM 1363 C C . HIS B 2 73 ? -1.548 17.583 -13.052 1.00 90.81 73 B 1 ATOM 1364 O O . HIS B 2 73 ? -1.961 17.750 -11.906 1.00 89.38 73 B 1 ATOM 1365 C CB . HIS B 2 73 ? -3.395 18.813 -14.268 1.00 90.36 73 B 1 ATOM 1366 C CG . HIS B 2 73 ? -2.579 20.056 -14.464 1.00 90.14 73 B 1 ATOM 1367 N ND1 . HIS B 2 73 ? -2.203 20.586 -15.682 1.00 83.88 73 B 1 ATOM 1368 C CD2 . HIS B 2 73 ? -2.037 20.869 -13.498 1.00 83.79 73 B 1 ATOM 1369 C CE1 . HIS B 2 73 ? -1.462 21.680 -15.455 1.00 84.66 73 B 1 ATOM 1370 N NE2 . HIS B 2 73 ? -1.341 21.889 -14.137 1.00 85.16 73 B 1 ATOM 1371 N N . VAL B 2 74 ? -0.255 17.438 -13.327 1.00 89.97 74 B 1 ATOM 1372 C CA . VAL B 2 74 ? 0.796 17.541 -12.312 1.00 88.56 74 B 1 ATOM 1373 C C . VAL B 2 74 ? 1.060 19.013 -12.023 1.00 87.25 74 B 1 ATOM 1374 O O . VAL B 2 74 ? 1.425 19.774 -12.924 1.00 84.71 74 B 1 ATOM 1375 C CB . VAL B 2 74 ? 2.084 16.823 -12.741 1.00 87.20 74 B 1 ATOM 1376 C CG1 . VAL B 2 74 ? 3.163 16.933 -11.666 1.00 82.43 74 B 1 ATOM 1377 C CG2 . VAL B 2 74 ? 1.821 15.335 -12.989 1.00 83.33 74 B 1 ATOM 1378 N N . VAL B 2 75 ? 0.887 19.406 -10.753 1.00 84.10 75 B 1 ATOM 1379 C CA . VAL B 2 75 ? 1.236 20.733 -10.256 1.00 80.57 75 B 1 ATOM 1380 C C . VAL B 2 75 ? 2.640 20.653 -9.674 1.00 77.59 75 B 1 ATOM 1381 O O . VAL B 2 75 ? 2.844 20.116 -8.589 1.00 73.12 75 B 1 ATOM 1382 C CB . VAL B 2 75 ? 0.214 21.254 -9.232 1.00 78.26 75 B 1 ATOM 1383 C CG1 . VAL B 2 75 ? 0.549 22.692 -8.829 1.00 73.33 75 B 1 ATOM 1384 C CG2 . VAL B 2 75 ? -1.205 21.256 -9.814 1.00 74.72 75 B 1 ATOM 1385 N N . ASP B 2 76 ? 3.611 21.185 -10.409 1.00 74.29 76 B 1 ATOM 1386 C CA . ASP B 2 76 ? 4.996 21.281 -9.954 1.00 71.49 76 B 1 ATOM 1387 C C . ASP B 2 76 ? 5.127 22.509 -9.039 1.00 70.89 76 B 1 ATOM 1388 O O . ASP B 2 76 ? 5.246 23.645 -9.500 1.00 67.13 76 B 1 ATOM 1389 C CB . ASP B 2 76 ? 5.924 21.301 -11.183 1.00 66.95 76 B 1 ATOM 1390 C CG . ASP B 2 76 ? 7.388 20.957 -10.867 1.00 61.00 76 B 1 ATOM 1391 O OD1 . ASP B 2 76 ? 7.714 20.827 -9.671 1.00 58.25 76 B 1 ATOM 1392 O OD2 . ASP B 2 76 ? 8.162 20.801 -11.849 1.00 56.14 76 B 1 ATOM 1393 N N . TYR B 2 77 ? 5.015 22.287 -7.708 1.00 66.34 77 B 1 ATOM 1394 C CA . TYR B 2 77 ? 5.200 23.351 -6.714 1.00 64.00 77 B 1 ATOM 1395 C C . TYR B 2 77 ? 6.668 23.685 -6.522 1.00 63.60 77 B 1 ATOM 1396 O O . TYR B 2 77 ? 7.015 24.852 -6.321 1.00 60.45 77 B 1 ATOM 1397 C CB . TYR B 2 77 ? 4.601 22.934 -5.366 1.00 60.49 77 B 1 ATOM 1398 C CG . TYR B 2 77 ? 3.105 23.077 -5.284 1.00 58.98 77 B 1 ATOM 1399 C CD1 . TYR B 2 77 ? 2.530 24.344 -5.023 1.00 54.95 77 B 1 ATOM 1400 C CD2 . TYR B 2 77 ? 2.280 21.959 -5.459 1.00 53.35 77 B 1 ATOM 1401 C CE1 . TYR B 2 77 ? 1.139 24.486 -4.931 1.00 51.74 77 B 1 ATOM 1402 C CE2 . TYR B 2 77 ? 0.888 22.092 -5.371 1.00 51.31 77 B 1 ATOM 1403 C CZ . TYR B 2 77 ? 0.319 23.357 -5.105 1.00 51.01 77 B 1 ATOM 1404 O OH . TYR B 2 77 ? -1.043 23.481 -5.014 1.00 48.09 77 B 1 ATOM 1405 N N . ASN B 2 78 ? 7.521 22.664 -6.523 1.00 63.95 78 B 1 ATOM 1406 C CA . ASN B 2 78 ? 8.932 22.823 -6.251 1.00 63.54 78 B 1 ATOM 1407 C C . ASN B 2 78 ? 9.661 23.114 -7.556 1.00 64.50 78 B 1 ATOM 1408 O O . ASN B 2 78 ? 9.646 22.346 -8.514 1.00 61.96 78 B 1 ATOM 1409 C CB . ASN B 2 78 ? 9.462 21.605 -5.476 1.00 60.23 78 B 1 ATOM 1410 C CG . ASN B 2 78 ? 9.067 21.652 -4.004 1.00 56.81 78 B 1 ATOM 1411 O OD1 . ASN B 2 78 ? 8.861 22.706 -3.427 1.00 52.83 78 B 1 ATOM 1412 N ND2 . ASN B 2 78 ? 8.979 20.516 -3.348 1.00 51.00 78 B 1 ATOM 1413 N N . ASN B 2 79 ? 10.335 24.247 -7.573 1.00 60.74 79 B 1 ATOM 1414 C CA . ASN B 2 79 ? 11.224 24.590 -8.663 1.00 60.75 79 B 1 ATOM 1415 C C . ASN B 2 79 ? 12.278 23.480 -8.762 1.00 62.39 79 B 1 ATOM 1416 O O . ASN B 2 79 ? 13.044 23.279 -7.821 1.00 59.12 79 B 1 ATOM 1417 C CB . ASN B 2 79 ? 11.816 25.982 -8.364 1.00 56.62 79 B 1 ATOM 1418 C CG . ASN B 2 79 ? 11.945 26.879 -9.582 1.00 50.54 79 B 1 ATOM 1419 O OD1 . ASN B 2 79 ? 11.616 26.545 -10.703 1.00 47.99 79 B 1 ATOM 1420 N ND2 . ASN B 2 79 ? 12.436 28.082 -9.378 1.00 46.81 79 B 1 ATOM 1421 N N . LYS B 2 80 ? 12.341 22.760 -9.883 1.00 63.33 80 B 1 ATOM 1422 C CA . LYS B 2 80 ? 13.267 21.630 -10.086 1.00 63.34 80 B 1 ATOM 1423 C C . LYS B 2 80 ? 14.706 21.965 -9.699 1.00 63.94 80 B 1 ATOM 1424 O O . LYS B 2 80 ? 15.435 21.102 -9.232 1.00 61.03 80 B 1 ATOM 1425 C CB . LYS B 2 80 ? 13.223 21.162 -11.551 1.00 60.59 80 B 1 ATOM 1426 C CG . LYS B 2 80 ? 11.993 20.301 -11.829 1.00 55.73 80 B 1 ATOM 1427 C CD . LYS B 2 80 ? 12.033 19.712 -13.245 1.00 52.17 80 B 1 ATOM 1428 C CE . LYS B 2 80 ? 10.847 18.759 -13.373 1.00 46.40 80 B 1 ATOM 1429 N NZ . LYS B 2 80 ? 10.797 18.051 -14.667 1.00 41.84 80 B 1 ATOM 1430 N N . GLU B 2 81 ? 15.106 23.231 -9.838 1.00 60.92 81 B 1 ATOM 1431 C CA . GLU B 2 81 ? 16.436 23.708 -9.451 1.00 60.50 81 B 1 ATOM 1432 C C . GLU B 2 81 ? 16.725 23.544 -7.948 1.00 61.35 81 B 1 ATOM 1433 O O . GLU B 2 81 ? 17.851 23.207 -7.593 1.00 58.40 81 B 1 ATOM 1434 C CB . GLU B 2 81 ? 16.606 25.184 -9.849 1.00 58.52 81 B 1 ATOM 1435 C CG . GLU B 2 81 ? 16.662 25.381 -11.376 1.00 54.20 81 B 1 ATOM 1436 C CD . GLU B 2 81 ? 16.972 26.832 -11.791 1.00 49.49 81 B 1 ATOM 1437 O OE1 . GLU B 2 81 ? 17.385 27.024 -12.963 1.00 45.52 81 B 1 ATOM 1438 O OE2 . GLU B 2 81 ? 16.798 27.757 -10.968 1.00 47.40 81 B 1 ATOM 1439 N N . GLU B 2 82 ? 15.749 23.747 -7.037 1.00 58.72 82 B 1 ATOM 1440 C CA . GLU B 2 82 ? 15.953 23.579 -5.587 1.00 58.05 82 B 1 ATOM 1441 C C . GLU B 2 82 ? 16.040 22.101 -5.198 1.00 59.37 82 B 1 ATOM 1442 O O . GLU B 2 82 ? 16.887 21.732 -4.385 1.00 58.42 82 B 1 ATOM 1443 C CB . GLU B 2 82 ? 14.855 24.284 -4.774 1.00 55.38 82 B 1 ATOM 1444 C CG . GLU B 2 82 ? 15.104 25.795 -4.677 1.00 50.72 82 B 1 ATOM 1445 C CD . GLU B 2 82 ? 14.133 26.528 -3.739 1.00 48.55 82 B 1 ATOM 1446 O OE1 . GLU B 2 82 ? 14.509 27.638 -3.284 1.00 45.39 82 B 1 ATOM 1447 O OE2 . GLU B 2 82 ? 13.025 26.016 -3.501 1.00 49.71 82 B 1 ATOM 1448 N N . VAL B 2 83 ? 15.235 21.242 -5.814 1.00 58.18 83 B 1 ATOM 1449 C CA . VAL B 2 83 ? 15.255 19.786 -5.578 1.00 57.23 83 B 1 ATOM 1450 C C . VAL B 2 83 ? 16.605 19.196 -5.984 1.00 58.15 83 B 1 ATOM 1451 O O . VAL B 2 83 ? 17.223 18.475 -5.200 1.00 57.08 83 B 1 ATOM 1452 C CB . VAL B 2 83 ? 14.093 19.095 -6.318 1.00 54.53 83 B 1 ATOM 1453 C CG1 . VAL B 2 83 ? 14.082 17.586 -6.064 1.00 50.57 83 B 1 ATOM 1454 C CG2 . VAL B 2 83 ? 12.739 19.658 -5.872 1.00 51.73 83 B 1 ATOM 1455 N N . ILE B 2 84 ? 17.120 19.569 -7.154 1.00 60.14 84 B 1 ATOM 1456 C CA . ILE B 2 84 ? 18.449 19.155 -7.633 1.00 59.72 84 B 1 ATOM 1457 C C . ILE B 2 84 ? 19.554 19.681 -6.706 1.00 58.84 84 B 1 ATOM 1458 O O . ILE B 2 84 ? 20.493 18.951 -6.390 1.00 56.56 84 B 1 ATOM 1459 C CB . ILE B 2 84 ? 18.663 19.623 -9.091 1.00 59.03 84 B 1 ATOM 1460 C CG1 . ILE B 2 84 ? 17.685 18.898 -10.048 1.00 56.63 84 B 1 ATOM 1461 C CG2 . ILE B 2 84 ? 20.112 19.368 -9.553 1.00 56.41 84 B 1 ATOM 1462 C CD1 . ILE B 2 84 ? 17.595 19.538 -11.444 1.00 52.58 84 B 1 ATOM 1463 N N . ALA B 2 85 ? 19.453 20.935 -6.221 1.00 59.58 85 B 1 ATOM 1464 C CA . ALA B 2 85 ? 20.459 21.528 -5.334 1.00 57.40 85 B 1 ATOM 1465 C C . ALA B 2 85 ? 20.548 20.825 -3.967 1.00 58.55 85 B 1 ATOM 1466 O O . ALA B 2 85 ? 21.628 20.773 -3.374 1.00 56.82 85 B 1 ATOM 1467 C CB . ALA B 2 85 ? 20.154 23.020 -5.165 1.00 55.02 85 B 1 ATOM 1468 N N . LEU B 2 86 ? 19.442 20.263 -3.470 1.00 59.65 86 B 1 ATOM 1469 C CA . LEU B 2 86 ? 19.376 19.505 -2.218 1.00 56.07 86 B 1 ATOM 1470 C C . LEU B 2 86 ? 19.741 18.018 -2.389 1.00 55.33 86 B 1 ATOM 1471 O O . LEU B 2 86 ? 19.821 17.301 -1.392 1.00 52.03 86 B 1 ATOM 1472 C CB . LEU B 2 86 ? 17.988 19.708 -1.592 1.00 52.67 86 B 1 ATOM 1473 C CG . LEU B 2 86 ? 17.783 21.119 -1.003 1.00 49.72 86 B 1 ATOM 1474 C CD1 . LEU B 2 86 ? 16.301 21.358 -0.719 1.00 47.71 86 B 1 ATOM 1475 C CD2 . LEU B 2 86 ? 18.551 21.307 0.307 1.00 48.93 86 B 1 ATOM 1476 N N . GLY B 2 87 ? 19.974 17.550 -3.614 1.00 63.00 87 B 1 ATOM 1477 C CA . GLY B 2 87 ? 20.219 16.133 -3.905 1.00 60.63 87 B 1 ATOM 1478 C C . GLY B 2 87 ? 18.987 15.242 -3.702 1.00 61.06 87 B 1 ATOM 1479 O O . GLY B 2 87 ? 19.114 14.021 -3.666 1.00 57.88 87 B 1 ATOM 1480 N N . ALA B 2 88 ? 17.806 15.861 -3.553 1.00 57.13 88 B 1 ATOM 1481 C CA . ALA B 2 88 ? 16.529 15.194 -3.367 1.00 55.38 88 B 1 ATOM 1482 C C . ALA B 2 88 ? 15.860 14.924 -4.727 1.00 56.07 88 B 1 ATOM 1483 O O . ALA B 2 88 ? 14.681 15.199 -4.910 1.00 53.45 88 B 1 ATOM 1484 C CB . ALA B 2 88 ? 15.689 16.037 -2.394 1.00 51.62 88 B 1 ATOM 1485 N N . GLU B 2 89 ? 16.621 14.424 -5.702 1.00 59.90 89 B 1 ATOM 1486 C CA . GLU B 2 89 ? 16.096 14.098 -7.045 1.00 58.83 89 B 1 ATOM 1487 C C . GLU B 2 89 ? 14.933 13.094 -6.977 1.00 59.06 89 B 1 ATOM 1488 O O . GLU B 2 89 ? 13.986 13.207 -7.749 1.00 55.33 89 B 1 ATOM 1489 C CB . GLU B 2 89 ? 17.223 13.555 -7.948 1.00 56.08 89 B 1 ATOM 1490 C CG . GLU B 2 89 ? 18.255 14.630 -8.338 1.00 52.17 89 B 1 ATOM 1491 C CD . GLU B 2 89 ? 19.356 14.135 -9.303 1.00 47.74 89 B 1 ATOM 1492 O OE1 . GLU B 2 89 ? 20.034 15.008 -9.902 1.00 44.69 89 B 1 ATOM 1493 O OE2 . GLU B 2 89 ? 19.561 12.912 -9.430 1.00 45.77 89 B 1 ATOM 1494 N N . ASP B 2 90 ? 14.963 12.176 -5.995 1.00 59.24 90 B 1 ATOM 1495 C CA . ASP B 2 90 ? 13.916 11.167 -5.786 1.00 58.02 90 B 1 ATOM 1496 C C . ASP B 2 90 ? 12.654 11.707 -5.074 1.00 58.65 90 B 1 ATOM 1497 O O . ASP B 2 90 ? 11.675 10.975 -4.920 1.00 54.43 90 B 1 ATOM 1498 C CB . ASP B 2 90 ? 14.509 9.969 -5.019 1.00 54.35 90 B 1 ATOM 1499 C CG . ASP B 2 90 ? 15.549 9.152 -5.795 1.00 50.56 90 B 1 ATOM 1500 O OD1 . ASP B 2 90 ? 15.454 9.069 -7.037 1.00 47.04 90 B 1 ATOM 1501 O OD2 . ASP B 2 90 ? 16.438 8.572 -5.128 1.00 45.87 90 B 1 ATOM 1502 N N . CYS B 2 91 ? 12.614 12.977 -4.636 1.00 53.78 91 B 1 ATOM 1503 C CA . CYS B 2 91 ? 11.436 13.589 -4.015 1.00 52.80 91 B 1 ATOM 1504 C C . CYS B 2 91 ? 10.372 14.035 -5.034 1.00 53.14 91 B 1 ATOM 1505 O O . CYS B 2 91 ? 9.598 14.954 -4.762 1.00 49.56 91 B 1 ATOM 1506 C CB . CYS B 2 91 ? 11.836 14.715 -3.044 1.00 49.16 91 B 1 ATOM 1507 S SG . CYS B 2 91 ? 12.693 14.040 -1.592 1.00 44.70 91 B 1 ATOM 1508 N N . GLU B 2 92 ? 10.275 13.385 -6.191 1.00 57.63 92 B 1 ATOM 1509 C CA . GLU B 2 92 ? 9.128 13.549 -7.100 1.00 56.63 92 B 1 ATOM 1510 C C . GLU B 2 92 ? 7.805 13.126 -6.431 1.00 57.14 92 B 1 ATOM 1511 O O . GLU B 2 92 ? 6.728 13.488 -6.904 1.00 53.51 92 B 1 ATOM 1512 C CB . GLU B 2 92 ? 9.345 12.778 -8.417 1.00 53.79 92 B 1 ATOM 1513 C CG . GLU B 2 92 ? 10.416 13.411 -9.326 1.00 49.85 92 B 1 ATOM 1514 C CD . GLU B 2 92 ? 10.466 12.821 -10.755 1.00 46.20 92 B 1 ATOM 1515 O OE1 . GLU B 2 92 ? 10.984 13.527 -11.659 1.00 42.59 92 B 1 ATOM 1516 O OE2 . GLU B 2 92 ? 9.979 11.696 -10.981 1.00 42.42 92 B 1 ATOM 1517 N N . ASP B 2 93 ? 7.877 12.400 -5.305 1.00 57.33 93 B 1 ATOM 1518 C CA . ASP B 2 93 ? 6.727 11.846 -4.593 1.00 56.20 93 B 1 ATOM 1519 C C . ASP B 2 93 ? 5.805 12.900 -3.952 1.00 57.44 93 B 1 ATOM 1520 O O . ASP B 2 93 ? 4.644 12.595 -3.684 1.00 53.24 93 B 1 ATOM 1521 C CB . ASP B 2 93 ? 7.229 10.852 -3.532 1.00 51.93 93 B 1 ATOM 1522 C CG . ASP B 2 93 ? 7.716 9.512 -4.101 1.00 47.89 93 B 1 ATOM 1523 O OD1 . ASP B 2 93 ? 7.214 9.104 -5.171 1.00 44.53 93 B 1 ATOM 1524 O OD2 . ASP B 2 93 ? 8.541 8.858 -3.421 1.00 43.25 93 B 1 ATOM 1525 N N . GLU B 2 94 ? 6.252 14.142 -3.710 1.00 60.36 94 B 1 ATOM 1526 C CA . GLU B 2 94 ? 5.410 15.189 -3.100 1.00 59.52 94 B 1 ATOM 1527 C C . GLU B 2 94 ? 4.559 15.977 -4.114 1.00 60.97 94 B 1 ATOM 1528 O O . GLU B 2 94 ? 3.857 16.916 -3.740 1.00 56.42 94 B 1 ATOM 1529 C CB . GLU B 2 94 ? 6.244 16.134 -2.225 1.00 54.70 94 B 1 ATOM 1530 C CG . GLU B 2 94 ? 6.746 15.470 -0.939 1.00 49.24 94 B 1 ATOM 1531 C CD . GLU B 2 94 ? 7.412 16.461 0.039 1.00 46.26 94 B 1 ATOM 1532 O OE1 . GLU B 2 94 ? 7.692 16.044 1.184 1.00 42.14 94 B 1 ATOM 1533 O OE2 . GLU B 2 94 ? 7.681 17.625 -0.356 1.00 42.16 94 B 1 ATOM 1534 N N . ASN B 2 95 ? 4.587 15.621 -5.397 1.00 71.18 95 B 1 ATOM 1535 C CA . ASN B 2 95 ? 3.852 16.369 -6.405 1.00 73.87 95 B 1 ATOM 1536 C C . ASN B 2 95 ? 2.336 16.247 -6.192 1.00 78.72 95 B 1 ATOM 1537 O O . ASN B 2 95 ? 1.764 15.154 -6.270 1.00 76.16 95 B 1 ATOM 1538 C CB . ASN B 2 95 ? 4.286 15.926 -7.809 1.00 67.48 95 B 1 ATOM 1539 C CG . ASN B 2 95 ? 5.675 16.428 -8.182 1.00 59.31 95 B 1 ATOM 1540 O OD1 . ASN B 2 95 ? 6.126 17.474 -7.764 1.00 52.98 95 B 1 ATOM 1541 N ND2 . ASN B 2 95 ? 6.379 15.715 -9.033 1.00 51.04 95 B 1 ATOM 1542 N N . GLU B 2 96 ? 1.664 17.392 -6.007 1.00 81.46 96 B 1 ATOM 1543 C CA . GLU B 2 96 ? 0.203 17.465 -6.083 1.00 83.28 96 B 1 ATOM 1544 C C . GLU B 2 96 ? -0.229 17.216 -7.529 1.00 85.87 96 B 1 ATOM 1545 O O . GLU B 2 96 ? 0.249 17.846 -8.480 1.00 85.60 96 B 1 ATOM 1546 C CB . GLU B 2 96 ? -0.357 18.798 -5.525 1.00 80.04 96 B 1 ATOM 1547 C CG . GLU B 2 96 ? -1.902 18.816 -5.370 1.00 73.32 96 B 1 ATOM 1548 C CD . GLU B 2 96 ? -2.537 20.158 -4.882 1.00 72.19 96 B 1 ATOM 1549 O OE1 . GLU B 2 96 ? -3.751 20.196 -4.557 1.00 65.99 96 B 1 ATOM 1550 O OE2 . GLU B 2 96 ? -1.885 21.222 -4.868 1.00 66.92 96 B 1 ATOM 1551 N N . VAL B 2 97 ? -1.162 16.290 -7.690 1.00 89.34 97 B 1 ATOM 1552 C CA . VAL B 2 97 ? -1.733 15.907 -8.972 1.00 90.67 97 B 1 ATOM 1553 C C . VAL B 2 97 ? -3.225 16.178 -8.928 1.00 91.59 97 B 1 ATOM 1554 O O . VAL B 2 97 ? -3.931 15.682 -8.056 1.00 90.44 97 B 1 ATOM 1555 C CB . VAL B 2 97 ? -1.436 14.432 -9.280 1.00 89.39 97 B 1 ATOM 1556 C CG1 . VAL B 2 97 ? -2.052 14.034 -10.616 1.00 83.83 97 B 1 ATOM 1557 C CG2 . VAL B 2 97 ? 0.073 14.170 -9.358 1.00 84.23 97 B 1 ATOM 1558 N N . LEU B 2 98 ? -3.729 16.946 -9.874 1.00 92.12 98 B 1 ATOM 1559 C CA . LEU B 2 98 ? -5.147 17.258 -9.964 1.00 92.52 98 B 1 ATOM 1560 C C . LEU B 2 98 ? -5.850 16.289 -10.911 1.00 93.54 98 B 1 ATOM 1561 O O . LEU B 2 98 ? -5.439 16.113 -12.058 1.00 93.25 98 B 1 ATOM 1562 C CB . LEU B 2 98 ? -5.349 18.721 -10.379 1.00 91.10 98 B 1 ATOM 1563 C CG . LEU B 2 98 ? -4.667 19.764 -9.470 1.00 88.62 98 B 1 ATOM 1564 C CD1 . LEU B 2 98 ? -4.955 21.166 -10.004 1.00 85.03 98 B 1 ATOM 1565 C CD2 . LEU B 2 98 ? -5.168 19.693 -8.027 1.00 83.77 98 B 1 ATOM 1566 N N . LEU B 2 99 ? -6.956 15.710 -10.441 1.00 94.56 99 B 1 ATOM 1567 C CA . LEU B 2 99 ? -7.917 15.006 -11.286 1.00 95.37 99 B 1 ATOM 1568 C C . LEU B 2 99 ? -9.055 15.958 -11.669 1.00 95.52 99 B 1 ATOM 1569 O O . LEU B 2 99 ? -9.600 16.627 -10.790 1.00 94.45 99 B 1 ATOM 1570 C CB . LEU B 2 99 ? -8.455 13.758 -10.576 1.00 95.05 99 B 1 ATOM 1571 C CG . LEU B 2 99 ? -7.400 12.678 -10.270 1.00 93.27 99 B 1 ATOM 1572 C CD1 . LEU B 2 99 ? -8.113 11.433 -9.743 1.00 89.74 99 B 1 ATOM 1573 C CD2 . LEU B 2 99 ? -6.589 12.275 -11.500 1.00 89.52 99 B 1 ATOM 1574 N N . PRO B 2 100 ? -9.442 16.030 -12.953 1.00 95.16 100 B 1 ATOM 1575 C CA . PRO B 2 100 ? -10.508 16.921 -13.386 1.00 95.11 100 B 1 ATOM 1576 C C . PRO B 2 100 ? -11.891 16.425 -12.950 1.00 95.36 100 B 1 ATOM 1577 O O . PRO B 2 100 ? -12.153 15.221 -12.844 1.00 94.55 100 B 1 ATOM 1578 C CB . PRO B 2 100 ? -10.372 17.000 -14.907 1.00 93.82 100 B 1 ATOM 1579 C CG . PRO B 2 100 ? -9.759 15.650 -15.280 1.00 91.71 100 B 1 ATOM 1580 C CD . PRO B 2 100 ? -8.862 15.331 -14.090 1.00 94.18 100 B 1 ATOM 1581 N N . ALA B 2 101 ? -12.815 17.367 -12.784 1.00 94.14 101 B 1 ATOM 1582 C CA . ALA B 2 101 ? -14.233 17.053 -12.671 1.00 93.97 101 B 1 ATOM 1583 C C . ALA B 2 101 ? -14.712 16.244 -13.892 1.00 94.05 101 B 1 ATOM 1584 O O . ALA B 2 101 ? -14.315 16.508 -15.030 1.00 92.68 101 B 1 ATOM 1585 C CB . ALA B 2 101 ? -15.027 18.357 -12.527 1.00 92.80 101 B 1 ATOM 1586 N N . GLY B 2 102 ? -15.580 15.267 -13.644 1.00 94.57 102 B 1 ATOM 1587 C CA . GLY B 2 102 ? -16.061 14.318 -14.650 1.00 94.43 102 B 1 ATOM 1588 C C . GLY B 2 102 ? -15.263 13.015 -14.721 1.00 95.32 102 B 1 ATOM 1589 O O . GLY B 2 102 ? -15.751 12.060 -15.328 1.00 94.05 102 B 1 ATOM 1590 N N . THR B 2 103 ? -14.100 12.928 -14.064 1.00 95.57 103 B 1 ATOM 1591 C CA . THR B 2 103 ? -13.334 11.674 -13.965 1.00 96.02 103 B 1 ATOM 1592 C C . THR B 2 103 ? -14.198 10.583 -13.337 1.00 96.56 103 B 1 ATOM 1593 O O . THR B 2 103 ? -14.798 10.790 -12.283 1.00 96.04 103 B 1 ATOM 1594 C CB . THR B 2 103 ? -12.051 11.855 -13.142 1.00 95.68 103 B 1 ATOM 1595 O OG1 . THR B 2 103 ? -11.240 12.842 -13.737 1.00 92.69 103 B 1 ATOM 1596 C CG2 . THR B 2 103 ? -11.201 10.587 -13.070 1.00 92.72 103 B 1 ATOM 1597 N N . LYS B 2 104 ? -14.253 9.408 -13.972 1.00 96.87 104 B 1 ATOM 1598 C CA . LYS B 2 104 ? -15.006 8.247 -13.494 1.00 97.33 104 B 1 ATOM 1599 C C . LYS B 2 104 ? -14.069 7.216 -12.885 1.00 97.67 104 B 1 ATOM 1600 O O . LYS B 2 104 ? -13.104 6.792 -13.520 1.00 97.03 104 B 1 ATOM 1601 C CB . LYS B 2 104 ? -15.830 7.629 -14.623 1.00 96.56 104 B 1 ATOM 1602 C CG . LYS B 2 104 ? -16.994 8.539 -15.032 1.00 89.47 104 B 1 ATOM 1603 C CD . LYS B 2 104 ? -17.758 7.902 -16.191 1.00 87.44 104 B 1 ATOM 1604 C CE . LYS B 2 104 ? -18.825 8.875 -16.674 1.00 78.92 104 B 1 ATOM 1605 N NZ . LYS B 2 104 ? -19.357 8.451 -17.987 1.00 69.94 104 B 1 ATOM 1606 N N . LEU B 2 105 ? -14.395 6.789 -11.668 1.00 97.76 105 B 1 ATOM 1607 C CA . LEU B 2 105 ? -13.648 5.799 -10.903 1.00 97.82 105 B 1 ATOM 1608 C C . LEU B 2 105 ? -14.586 4.657 -10.510 1.00 97.98 105 B 1 ATOM 1609 O O . LEU B 2 105 ? -15.679 4.895 -10.006 1.00 97.23 105 B 1 ATOM 1610 C CB . LEU B 2 105 ? -13.030 6.468 -9.662 1.00 97.46 105 B 1 ATOM 1611 C CG . LEU B 2 105 ? -12.078 7.652 -9.940 1.00 96.86 105 B 1 ATOM 1612 C CD1 . LEU B 2 105 ? -11.580 8.237 -8.621 1.00 95.32 105 B 1 ATOM 1613 C CD2 . LEU B 2 105 ? -10.860 7.238 -10.772 1.00 95.09 105 B 1 ATOM 1614 N N . GLU B 2 106 ? -14.154 3.417 -10.725 1.00 98.15 106 B 1 ATOM 1615 C CA . GLU B 2 106 ? -14.822 2.217 -10.216 1.00 98.25 106 B 1 ATOM 1616 C C . GLU B 2 106 ? -14.121 1.760 -8.934 1.00 98.29 106 B 1 ATOM 1617 O O . GLU B 2 106 ? -12.895 1.665 -8.901 1.00 97.80 106 B 1 ATOM 1618 C CB . GLU B 2 106 ? -14.802 1.132 -11.304 1.00 97.83 106 B 1 ATOM 1619 C CG . GLU B 2 106 ? -15.514 -0.171 -10.906 1.00 96.17 106 B 1 ATOM 1620 C CD . GLU B 2 106 ? -15.440 -1.257 -12.001 1.00 94.87 106 B 1 ATOM 1621 O OE1 . GLU B 2 106 ? -15.883 -2.393 -11.735 1.00 88.61 106 B 1 ATOM 1622 O OE2 . GLU B 2 106 ? -14.921 -0.979 -13.109 1.00 89.76 106 B 1 ATOM 1623 N N . VAL B 2 107 ? -14.888 1.457 -7.885 1.00 98.17 107 B 1 ATOM 1624 C CA . VAL B 2 107 ? -14.361 0.853 -6.658 1.00 98.25 107 B 1 ATOM 1625 C C . VAL B 2 107 ? -14.009 -0.605 -6.948 1.00 98.19 107 B 1 ATOM 1626 O O . VAL B 2 107 ? -14.880 -1.423 -7.227 1.00 97.60 107 B 1 ATOM 1627 C CB . VAL B 2 107 ? -15.360 0.960 -5.493 1.00 97.91 107 B 1 ATOM 1628 C CG1 . VAL B 2 107 ? -14.778 0.359 -4.214 1.00 96.47 107 B 1 ATOM 1629 C CG2 . VAL B 2 107 ? -15.743 2.415 -5.201 1.00 96.41 107 B 1 ATOM 1630 N N . VAL B 2 108 ? -12.718 -0.939 -6.874 1.00 97.83 108 B 1 ATOM 1631 C CA . VAL B 2 108 ? -12.197 -2.305 -7.058 1.00 97.29 108 B 1 ATOM 1632 C C . VAL B 2 108 ? -12.009 -3.004 -5.712 1.00 96.89 108 B 1 ATOM 1633 O O . VAL B 2 108 ? -12.099 -4.226 -5.621 1.00 94.82 108 B 1 ATOM 1634 C CB . VAL B 2 108 ? -10.864 -2.276 -7.833 1.00 95.91 108 B 1 ATOM 1635 C CG1 . VAL B 2 108 ? -10.309 -3.678 -8.104 1.00 87.19 108 B 1 ATOM 1636 C CG2 . VAL B 2 108 ? -11.017 -1.578 -9.190 1.00 87.58 108 B 1 ATOM 1637 N N . TYR B 2 109 ? -11.726 -2.240 -4.663 1.00 96.41 109 B 1 ATOM 1638 C CA . TYR B 2 109 ? -11.595 -2.712 -3.289 1.00 95.89 109 B 1 ATOM 1639 C C . TYR B 2 109 ? -12.234 -1.677 -2.370 1.00 96.39 109 B 1 ATOM 1640 O O . TYR B 2 109 ? -11.731 -0.560 -2.275 1.00 95.98 109 B 1 ATOM 1641 C CB . TYR B 2 109 ? -10.112 -2.939 -2.978 1.00 94.72 109 B 1 ATOM 1642 C CG . TYR B 2 109 ? -9.855 -3.502 -1.601 1.00 94.42 109 B 1 ATOM 1643 C CD1 . TYR B 2 109 ? -9.499 -2.659 -0.530 1.00 92.92 109 B 1 ATOM 1644 C CD2 . TYR B 2 109 ? -9.965 -4.886 -1.387 1.00 92.74 109 B 1 ATOM 1645 C CE1 . TYR B 2 109 ? -9.222 -3.198 0.736 1.00 91.32 109 B 1 ATOM 1646 C CE2 . TYR B 2 109 ? -9.686 -5.434 -0.123 1.00 91.10 109 B 1 ATOM 1647 C CZ . TYR B 2 109 ? -9.302 -4.588 0.936 1.00 91.45 109 B 1 ATOM 1648 O OH . TYR B 2 109 ? -8.989 -5.127 2.159 1.00 89.35 109 B 1 ATOM 1649 N N . GLY B 2 110 ? -13.355 -2.049 -1.756 1.00 96.75 110 B 1 ATOM 1650 C CA . GLY B 2 110 ? -14.153 -1.178 -0.907 1.00 96.65 110 B 1 ATOM 1651 C C . GLY B 2 110 ? -13.689 -1.130 0.546 1.00 96.43 110 B 1 ATOM 1652 O O . GLY B 2 110 ? -12.526 -1.400 0.869 1.00 95.05 110 B 1 ATOM 1653 N N . GLU B 2 111 ? -14.606 -0.770 1.428 1.00 96.30 111 B 1 ATOM 1654 C CA . GLU B 2 111 ? -14.366 -0.732 2.867 1.00 96.04 111 B 1 ATOM 1655 C C . GLU B 2 111 ? -14.327 -2.150 3.444 1.00 95.83 111 B 1 ATOM 1656 O O . GLU B 2 111 ? -15.242 -2.946 3.261 1.00 94.15 111 B 1 ATOM 1657 C CB . GLU B 2 111 ? -15.438 0.105 3.569 1.00 94.04 111 B 1 ATOM 1658 C CG . GLU B 2 111 ? -15.335 1.575 3.167 1.00 88.77 111 B 1 ATOM 1659 C CD . GLU B 2 111 ? -16.390 2.478 3.804 1.00 93.34 111 B 1 ATOM 1660 O OE1 . GLU B 2 111 ? -16.516 3.629 3.320 1.00 88.51 111 B 1 ATOM 1661 O OE2 . GLU B 2 111 ? -17.092 2.065 4.746 1.00 90.66 111 B 1 ATOM 1662 N N . HIS B 2 112 ? -13.256 -2.460 4.182 1.00 95.68 112 B 1 ATOM 1663 C CA . HIS B 2 112 ? -13.115 -3.716 4.906 1.00 95.08 112 B 1 ATOM 1664 C C . HIS B 2 112 ? -12.863 -3.418 6.384 1.00 95.29 112 B 1 ATOM 1665 O O . HIS B 2 112 ? -11.850 -2.807 6.726 1.00 94.09 112 B 1 ATOM 1666 C CB . HIS B 2 112 ? -11.989 -4.557 4.295 1.00 93.65 112 B 1 ATOM 1667 C CG . HIS B 2 112 ? -12.344 -5.195 2.983 1.00 90.93 112 B 1 ATOM 1668 N ND1 . HIS B 2 112 ? -12.660 -6.533 2.790 1.00 78.29 112 B 1 ATOM 1669 C CD2 . HIS B 2 112 ? -12.473 -4.570 1.778 1.00 78.40 112 B 1 ATOM 1670 C CE1 . HIS B 2 112 ? -12.983 -6.687 1.498 1.00 79.35 112 B 1 ATOM 1671 N NE2 . HIS B 2 112 ? -12.872 -5.525 0.854 1.00 81.69 112 B 1 ATOM 1672 N N . GLU B 2 113 ? -13.751 -3.895 7.269 1.00 95.20 113 B 1 ATOM 1673 C CA . GLU B 2 113 ? -13.621 -3.725 8.724 1.00 94.73 113 B 1 ATOM 1674 C C . GLU B 2 113 ? -12.261 -4.214 9.239 1.00 95.15 113 B 1 ATOM 1675 O O . GLU B 2 113 ? -11.595 -3.511 9.990 1.00 94.05 113 B 1 ATOM 1676 C CB . GLU B 2 113 ? -14.748 -4.466 9.454 1.00 93.27 113 B 1 ATOM 1677 C CG . GLU B 2 113 ? -16.119 -3.806 9.262 1.00 80.10 113 B 1 ATOM 1678 C CD . GLU B 2 113 ? -17.253 -4.512 10.031 1.00 71.43 113 B 1 ATOM 1679 O OE1 . GLU B 2 113 ? -18.342 -3.908 10.143 1.00 63.46 113 B 1 ATOM 1680 O OE2 . GLU B 2 113 ? -17.057 -5.665 10.484 1.00 62.74 113 B 1 ATOM 1681 N N . ASP B 2 114 ? -11.788 -5.369 8.741 1.00 94.50 114 B 1 ATOM 1682 C CA . ASP B 2 114 ? -10.468 -5.924 9.061 1.00 93.66 114 B 1 ATOM 1683 C C . ASP B 2 114 ? -9.310 -4.938 8.829 1.00 94.83 114 B 1 ATOM 1684 O O . ASP B 2 114 ? -8.320 -4.960 9.558 1.00 93.24 114 B 1 ATOM 1685 C CB . ASP B 2 114 ? -10.197 -7.125 8.149 1.00 90.80 114 B 1 ATOM 1686 C CG . ASP B 2 114 ? -10.879 -8.444 8.491 1.00 82.76 114 B 1 ATOM 1687 O OD1 . ASP B 2 114 ? -11.814 -8.503 9.302 1.00 75.86 114 B 1 ATOM 1688 O OD2 . ASP B 2 114 ? -10.379 -9.445 7.910 1.00 77.50 114 B 1 ATOM 1689 N N . ASP B 2 115 ? -9.390 -4.119 7.777 1.00 95.24 115 B 1 ATOM 1690 C CA . ASP B 2 115 ? -8.352 -3.133 7.476 1.00 95.45 115 B 1 ATOM 1691 C C . ASP B 2 115 ? -8.399 -1.998 8.513 1.00 95.90 115 B 1 ATOM 1692 O O . ASP B 2 115 ? -7.362 -1.614 9.055 1.00 95.18 115 B 1 ATOM 1693 C CB . ASP B 2 115 ? -8.495 -2.591 6.034 1.00 94.77 115 B 1 ATOM 1694 C CG . ASP B 2 115 ? -8.023 -3.539 4.911 1.00 93.70 115 B 1 ATOM 1695 O OD1 . ASP B 2 115 ? -7.223 -4.471 5.158 1.00 90.56 115 B 1 ATOM 1696 O OD2 . ASP B 2 115 ? -8.365 -3.299 3.728 1.00 89.94 115 B 1 ATOM 1697 N N . ASN B 2 116 ? -9.595 -1.510 8.847 1.00 95.89 116 B 1 ATOM 1698 C CA . ASN B 2 116 ? -9.773 -0.449 9.838 1.00 96.03 116 B 1 ATOM 1699 C C . ASN B 2 116 ? -9.398 -0.905 11.257 1.00 95.98 116 B 1 ATOM 1700 O O . ASN B 2 116 ? -8.744 -0.170 11.994 1.00 94.82 116 B 1 ATOM 1701 C CB . ASN B 2 116 ? -11.223 0.040 9.772 1.00 95.67 116 B 1 ATOM 1702 C CG . ASN B 2 116 ? -11.433 1.300 10.593 1.00 95.28 116 B 1 ATOM 1703 O OD1 . ASN B 2 116 ? -10.633 2.212 10.607 1.00 89.88 116 B 1 ATOM 1704 N ND2 . ASN B 2 116 ? -12.537 1.389 11.299 1.00 89.62 116 B 1 ATOM 1705 N N . GLU B 2 117 ? -9.744 -2.143 11.646 1.00 95.42 117 B 1 ATOM 1706 C CA . GLU B 2 117 ? -9.373 -2.710 12.946 1.00 94.76 117 B 1 ATOM 1707 C C . GLU B 2 117 ? -7.855 -2.876 13.093 1.00 94.90 117 B 1 ATOM 1708 O O . GLU B 2 117 ? -7.292 -2.598 14.156 1.00 93.26 117 B 1 ATOM 1709 C CB . GLU B 2 117 ? -10.048 -4.074 13.141 1.00 93.63 117 B 1 ATOM 1710 C CG . GLU B 2 117 ? -11.550 -3.972 13.436 1.00 86.80 117 B 1 ATOM 1711 C CD . GLU B 2 117 ? -12.187 -5.332 13.790 1.00 82.81 117 B 1 ATOM 1712 O OE1 . GLU B 2 117 ? -13.365 -5.325 14.207 1.00 75.75 117 B 1 ATOM 1713 O OE2 . GLU B 2 117 ? -11.483 -6.370 13.726 1.00 76.70 117 B 1 ATOM 1714 N N . GLU B 2 118 ? -7.183 -3.313 12.029 1.00 95.42 118 B 1 ATOM 1715 C CA . GLU B 2 118 ? -5.738 -3.534 12.055 1.00 95.59 118 B 1 ATOM 1716 C C . GLU B 2 118 ? -4.956 -2.221 11.991 1.00 95.51 118 B 1 ATOM 1717 O O . GLU B 2 118 ? -4.090 -1.959 12.833 1.00 93.74 118 B 1 ATOM 1718 C CB . GLU B 2 118 ? -5.346 -4.460 10.899 1.00 95.04 118 B 1 ATOM 1719 C CG . GLU B 2 118 ? -3.845 -4.785 10.860 1.00 94.16 118 B 1 ATOM 1720 C CD . GLU B 2 118 ? -3.335 -5.649 12.026 1.00 95.00 118 B 1 ATOM 1721 O OE1 . GLU B 2 118 ? -2.106 -5.882 12.080 1.00 91.30 118 B 1 ATOM 1722 O OE2 . GLU B 2 118 ? -4.139 -6.134 12.849 1.00 91.77 118 B 1 ATOM 1723 N N . MET B 2 119 ? -5.245 -1.404 10.982 1.00 95.63 119 B 1 ATOM 1724 C CA . MET B 2 119 ? -4.438 -0.232 10.631 1.00 95.11 119 B 1 ATOM 1725 C C . MET B 2 119 ? -4.968 1.058 11.264 1.00 94.68 119 B 1 ATOM 1726 O O . MET B 2 119 ? -4.217 2.011 11.425 1.00 93.45 119 B 1 ATOM 1727 C CB . MET B 2 119 ? -4.345 -0.121 9.101 1.00 94.80 119 B 1 ATOM 1728 C CG . MET B 2 119 ? -3.673 -1.351 8.466 1.00 94.15 119 B 1 ATOM 1729 S SD . MET B 2 119 ? -3.511 -1.310 6.662 1.00 92.72 119 B 1 ATOM 1730 C CE . MET B 2 119 ? -5.234 -1.585 6.191 1.00 85.54 119 B 1 ATOM 1731 N N . GLY B 2 120 ? -6.239 1.090 11.650 1.00 94.75 120 B 1 ATOM 1732 C CA . GLY B 2 120 ? -6.924 2.291 12.132 1.00 93.94 120 B 1 ATOM 1733 C C . GLY B 2 120 ? -7.468 3.186 11.016 1.00 94.17 120 B 1 ATOM 1734 O O . GLY B 2 120 ? -7.877 4.311 11.292 1.00 92.82 120 B 1 ATOM 1735 N N . PHE B 2 121 ? -7.464 2.693 9.768 1.00 94.54 121 B 1 ATOM 1736 C CA . PHE B 2 121 ? -7.985 3.387 8.595 1.00 94.67 121 B 1 ATOM 1737 C C . PHE B 2 121 ? -8.501 2.392 7.550 1.00 95.31 121 B 1 ATOM 1738 O O . PHE B 2 121 ? -8.032 1.253 7.467 1.00 94.97 121 B 1 ATOM 1739 C CB . PHE B 2 121 ? -6.896 4.286 7.999 1.00 93.89 121 B 1 ATOM 1740 C CG . PHE B 2 121 ? -5.583 3.599 7.669 1.00 93.65 121 B 1 ATOM 1741 C CD1 . PHE B 2 121 ? -4.484 3.713 8.548 1.00 92.46 121 B 1 ATOM 1742 C CD2 . PHE B 2 121 ? -5.435 2.864 6.489 1.00 92.00 121 B 1 ATOM 1743 C CE1 . PHE B 2 121 ? -3.255 3.116 8.238 1.00 91.05 121 B 1 ATOM 1744 C CE2 . PHE B 2 121 ? -4.207 2.256 6.172 1.00 90.99 121 B 1 ATOM 1745 C CZ . PHE B 2 121 ? -3.117 2.390 7.047 1.00 91.04 121 B 1 ATOM 1746 N N . TYR B 2 122 ? -9.441 2.829 6.717 1.00 95.45 122 B 1 ATOM 1747 C CA . TYR B 2 122 ? -9.872 2.085 5.537 1.00 95.67 122 B 1 ATOM 1748 C C . TYR B 2 122 ? -8.924 2.347 4.369 1.00 95.13 122 B 1 ATOM 1749 O O . TYR B 2 122 ? -8.445 3.461 4.155 1.00 94.10 122 B 1 ATOM 1750 C CB . TYR B 2 122 ? -11.308 2.453 5.173 1.00 96.01 122 B 1 ATOM 1751 C CG . TYR B 2 122 ? -12.326 2.026 6.209 1.00 96.58 122 B 1 ATOM 1752 C CD1 . TYR B 2 122 ? -12.698 0.671 6.312 1.00 95.84 122 B 1 ATOM 1753 C CD2 . TYR B 2 122 ? -12.911 2.974 7.074 1.00 95.99 122 B 1 ATOM 1754 C CE1 . TYR B 2 122 ? -13.651 0.258 7.257 1.00 95.76 122 B 1 ATOM 1755 C CE2 . TYR B 2 122 ? -13.866 2.571 8.024 1.00 95.79 122 B 1 ATOM 1756 C CZ . TYR B 2 122 ? -14.238 1.209 8.111 1.00 96.34 122 B 1 ATOM 1757 O OH . TYR B 2 122 ? -15.182 0.807 9.022 1.00 95.71 122 B 1 ATOM 1758 N N . THR B 2 123 ? -8.700 1.316 3.552 1.00 94.88 123 B 1 ATOM 1759 C CA . THR B 2 123 ? -8.028 1.474 2.262 1.00 94.38 123 B 1 ATOM 1760 C C . THR B 2 123 ? -9.022 1.181 1.157 1.00 94.99 123 B 1 ATOM 1761 O O . THR B 2 123 ? -9.594 0.097 1.133 1.00 93.92 123 B 1 ATOM 1762 C CB . THR B 2 123 ? -6.794 0.576 2.132 1.00 92.11 123 B 1 ATOM 1763 O OG1 . THR B 2 123 ? -7.103 -0.793 2.220 1.00 80.55 123 B 1 ATOM 1764 C CG2 . THR B 2 123 ? -5.748 0.880 3.204 1.00 80.34 123 B 1 ATOM 1765 N N . VAL B 2 124 ? -9.204 2.109 0.222 1.00 95.70 124 B 1 ATOM 1766 C CA . VAL B 2 124 ? -10.105 1.935 -0.921 1.00 96.15 124 B 1 ATOM 1767 C C . VAL B 2 124 ? -9.296 2.054 -2.206 1.00 95.97 124 B 1 ATOM 1768 O O . VAL B 2 124 ? -8.518 2.990 -2.387 1.00 95.38 124 B 1 ATOM 1769 C CB . VAL B 2 124 ? -11.283 2.925 -0.869 1.00 96.33 124 B 1 ATOM 1770 C CG1 . VAL B 2 124 ? -12.264 2.680 -2.018 1.00 95.26 124 B 1 ATOM 1771 C CG2 . VAL B 2 124 ? -12.064 2.799 0.445 1.00 95.29 124 B 1 ATOM 1772 N N . ILE B 2 125 ? -9.449 1.073 -3.098 1.00 95.94 125 B 1 ATOM 1773 C CA . ILE B 2 125 ? -8.748 1.047 -4.382 1.00 96.18 125 B 1 ATOM 1774 C C . ILE B 2 125 ? -9.753 1.314 -5.488 1.00 97.03 125 B 1 ATOM 1775 O O . ILE B 2 125 ? -10.767 0.626 -5.596 1.00 97.06 125 B 1 ATOM 1776 C CB . ILE B 2 125 ? -7.990 -0.271 -4.620 1.00 95.11 125 B 1 ATOM 1777 C CG1 . ILE B 2 125 ? -7.080 -0.622 -3.420 1.00 92.99 125 B 1 ATOM 1778 C CG2 . ILE B 2 125 ? -7.158 -0.162 -5.915 1.00 93.01 125 B 1 ATOM 1779 C CD1 . ILE B 2 125 ? -6.385 -1.978 -3.567 1.00 86.81 125 B 1 ATOM 1780 N N . PHE B 2 126 ? -9.425 2.276 -6.332 1.00 97.59 126 B 1 ATOM 1781 C CA . PHE B 2 126 ? -10.194 2.635 -7.506 1.00 97.80 126 B 1 ATOM 1782 C C . PHE B 2 126 ? -9.490 2.195 -8.782 1.00 97.75 126 B 1 ATOM 1783 O O . PHE B 2 126 ? -8.267 2.067 -8.852 1.00 97.17 126 B 1 ATOM 1784 C CB . PHE B 2 126 ? -10.460 4.141 -7.513 1.00 97.68 126 B 1 ATOM 1785 C CG . PHE B 2 126 ? -11.178 4.641 -6.281 1.00 97.69 126 B 1 ATOM 1786 C CD1 . PHE B 2 126 ? -12.572 4.504 -6.168 1.00 96.48 126 B 1 ATOM 1787 C CD2 . PHE B 2 126 ? -10.454 5.239 -5.235 1.00 96.42 126 B 1 ATOM 1788 C CE1 . PHE B 2 126 ? -13.242 4.969 -5.026 1.00 95.68 126 B 1 ATOM 1789 C CE2 . PHE B 2 126 ? -11.121 5.703 -4.088 1.00 95.71 126 B 1 ATOM 1790 C CZ . PHE B 2 126 ? -12.517 5.571 -3.984 1.00 96.13 126 B 1 ATOM 1791 N N . LYS B 2 127 ? -10.293 2.030 -9.830 1.00 98.09 127 B 1 ATOM 1792 C CA . LYS B 2 127 ? -9.855 1.896 -11.209 1.00 98.06 127 B 1 ATOM 1793 C C . LYS B 2 127 ? -10.427 3.051 -12.018 1.00 98.19 127 B 1 ATOM 1794 O O . LYS B 2 127 ? -11.635 3.259 -12.027 1.00 97.66 127 B 1 ATOM 1795 C CB . LYS B 2 127 ? -10.319 0.537 -11.723 1.00 96.97 127 B 1 ATOM 1796 C CG . LYS B 2 127 ? -9.896 0.299 -13.167 1.00 92.27 127 B 1 ATOM 1797 C CD . LYS B 2 127 ? -10.443 -1.047 -13.619 1.00 89.73 127 B 1 ATOM 1798 C CE . LYS B 2 127 ? -10.130 -1.252 -15.090 1.00 77.62 127 B 1 ATOM 1799 N NZ . LYS B 2 127 ? -10.859 -2.445 -15.580 1.00 71.58 127 B 1 ATOM 1800 N N . TYR B 2 128 ? -9.568 3.773 -12.723 1.00 97.95 128 B 1 ATOM 1801 C CA . TYR B 2 128 ? -10.026 4.775 -13.682 1.00 98.01 128 B 1 ATOM 1802 C C . TYR B 2 128 ? -10.741 4.098 -14.854 1.00 98.04 128 B 1 ATOM 1803 O O . TYR B 2 128 ? -10.221 3.146 -15.448 1.00 97.64 128 B 1 ATOM 1804 C CB . TYR B 2 128 ? -8.851 5.632 -14.153 1.00 97.78 128 B 1 ATOM 1805 C CG . TYR B 2 128 ? -9.206 6.551 -15.302 1.00 97.67 128 B 1 ATOM 1806 C CD1 . TYR B 2 128 ? -8.687 6.313 -16.589 1.00 96.76 128 B 1 ATOM 1807 C CD2 . TYR B 2 128 ? -10.099 7.625 -15.107 1.00 96.81 128 B 1 ATOM 1808 C CE1 . TYR B 2 128 ? -9.040 7.139 -17.664 1.00 96.18 128 B 1 ATOM 1809 C CE2 . TYR B 2 128 ? -10.464 8.453 -16.181 1.00 96.04 128 B 1 ATOM 1810 C CZ . TYR B 2 128 ? -9.930 8.208 -17.458 1.00 96.26 128 B 1 ATOM 1811 O OH . TYR B 2 128 ? -10.282 9.014 -18.515 1.00 94.88 128 B 1 ATOM 1812 N N . LEU B 2 129 ? -11.921 4.599 -15.176 1.00 97.23 129 B 1 ATOM 1813 C CA . LEU B 2 129 ? -12.703 4.197 -16.334 1.00 96.63 129 B 1 ATOM 1814 C C . LEU B 2 129 ? -12.473 5.215 -17.449 1.00 95.60 129 B 1 ATOM 1815 O O . LEU B 2 129 ? -12.871 6.375 -17.330 1.00 92.07 129 B 1 ATOM 1816 C CB . LEU B 2 129 ? -14.185 4.080 -15.958 1.00 95.63 129 B 1 ATOM 1817 C CG . LEU B 2 129 ? -14.505 3.046 -14.860 1.00 94.01 129 B 1 ATOM 1818 C CD1 . LEU B 2 129 ? -16.006 3.041 -14.597 1.00 91.78 129 B 1 ATOM 1819 C CD2 . LEU B 2 129 ? -14.072 1.630 -15.249 1.00 91.68 129 B 1 ATOM 1820 N N . GLU B 2 130 ? -11.834 4.756 -18.534 1.00 93.56 130 B 1 ATOM 1821 C CA . GLU B 2 130 ? -11.714 5.574 -19.737 1.00 90.65 130 B 1 ATOM 1822 C C . GLU B 2 130 ? -13.108 5.964 -20.234 1.00 87.95 130 B 1 ATOM 1823 O O . GLU B 2 130 ? -14.006 5.125 -20.357 1.00 79.46 130 B 1 ATOM 1824 C CB . GLU B 2 130 ? -10.917 4.856 -20.834 1.00 85.40 130 B 1 ATOM 1825 C CG . GLU B 2 130 ? -9.425 4.734 -20.488 1.00 73.84 130 B 1 ATOM 1826 C CD . GLU B 2 130 ? -8.567 4.138 -21.616 1.00 69.47 130 B 1 ATOM 1827 O OE1 . GLU B 2 130 ? -7.321 4.211 -21.494 1.00 63.46 130 B 1 ATOM 1828 O OE2 . GLU B 2 130 ? -9.134 3.611 -22.601 1.00 64.31 130 B 1 ATOM 1829 N N . GLU B 2 131 ? -13.297 7.259 -20.509 1.00 81.95 131 B 1 ATOM 1830 C CA . GLU B 2 131 ? -14.499 7.683 -21.205 1.00 77.95 131 B 1 ATOM 1831 C C . GLU B 2 131 ? -14.461 7.110 -22.621 1.00 75.74 131 B 1 ATOM 1832 O O . GLU B 2 131 ? -13.535 7.377 -23.390 1.00 65.11 131 B 1 ATOM 1833 C CB . GLU B 2 131 ? -14.663 9.206 -21.208 1.00 69.25 131 B 1 ATOM 1834 C CG . GLU B 2 131 ? -14.963 9.763 -19.803 1.00 60.13 131 B 1 ATOM 1835 C CD . GLU B 2 131 ? -15.519 11.193 -19.832 1.00 55.77 131 B 1 ATOM 1836 O OE1 . GLU B 2 131 ? -16.419 11.461 -18.997 1.00 50.73 131 B 1 ATOM 1837 O OE2 . GLU B 2 131 ? -15.098 11.993 -20.696 1.00 50.71 131 B 1 ATOM 1838 N N . GLU B 2 132 ? -15.482 6.315 -22.974 1.00 70.04 132 B 1 ATOM 1839 C CA . GLU B 2 132 ? -15.717 5.960 -24.368 1.00 67.93 132 B 1 ATOM 1840 C C . GLU B 2 132 ? -15.898 7.260 -25.157 1.00 65.73 132 B 1 ATOM 1841 O O . GLU B 2 132 ? -16.780 8.069 -24.864 1.00 58.24 132 B 1 ATOM 1842 C CB . GLU B 2 132 ? -16.937 5.040 -24.525 1.00 61.23 132 B 1 ATOM 1843 C CG . GLU B 2 132 ? -16.699 3.612 -23.992 1.00 54.11 132 B 1 ATOM 1844 C CD . GLU B 2 132 ? -17.869 2.647 -24.282 1.00 49.30 132 B 1 ATOM 1845 O OE1 . GLU B 2 132 ? -17.651 1.419 -24.175 1.00 45.15 132 B 1 ATOM 1846 O OE2 . GLU B 2 132 ? -18.985 3.120 -24.607 1.00 47.39 132 B 1 ATOM 1847 N N . LYS B 2 133 ? -15.007 7.499 -26.120 1.00 56.53 133 B 1 ATOM 1848 C CA . LYS B 2 133 ? -15.102 8.609 -27.064 1.00 55.75 133 B 1 ATOM 1849 C C . LYS B 2 133 ? -16.220 8.399 -28.073 1.00 52.43 133 B 1 ATOM 1850 O O . LYS B 2 133 ? -16.403 7.256 -28.518 1.00 46.91 133 B 1 ATOM 1851 C CB . LYS B 2 133 ? -13.785 8.812 -27.821 1.00 51.38 133 B 1 ATOM 1852 C CG . LYS B 2 133 ? -12.718 9.499 -26.974 1.00 46.65 133 B 1 ATOM 1853 C CD . LYS B 2 133 ? -11.471 9.753 -27.842 1.00 42.87 133 B 1 ATOM 1854 C CE . LYS B 2 133 ? -10.417 10.466 -27.008 1.00 39.34 133 B 1 ATOM 1855 N NZ . LYS B 2 133 ? -9.146 10.613 -27.747 1.00 34.95 133 B 1 ATOM 1856 O OXT . LYS B 2 133 ? -16.850 9.429 -28.420 1.00 43.51 133 B 1 #