# 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_wp_012609144.1_tifa # _entry.id wp_012609144.1_tifa # 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 LYS 2 1 n PHE 3 1 n TYR 4 1 n THR 5 1 n ILE 6 1 n SER 7 1 n SER 8 1 n LYS 9 1 n TYR 10 1 n ILE 11 1 n GLU 12 1 n TYR 13 1 n LEU 14 1 n LYS 15 1 n GLU 16 1 n PHE 17 1 n ASP 18 1 n ASP 19 1 n LYS 20 1 n VAL 21 1 n PRO 22 1 n ASN 23 1 n SER 24 1 n GLU 25 1 n ASP 26 1 n PRO 27 1 n THR 28 1 n TYR 29 1 n GLN 30 1 n ASN 31 1 n PRO 32 1 n LYS 33 1 n ALA 34 1 n PHE 35 1 n ILE 36 1 n GLY 37 1 n ILE 38 1 n VAL 39 1 n LEU 40 1 n GLU 41 1 n ILE 42 1 n GLN 43 1 n GLY 44 1 n HIS 45 1 n LYS 46 1 n TYR 47 1 n LEU 48 1 n ALA 49 1 n PRO 50 1 n LEU 51 1 n THR 52 1 n SER 53 1 n PRO 54 1 n LYS 55 1 n LYS 56 1 n TRP 57 1 n HIS 58 1 n ASN 59 1 n ASN 60 1 n VAL 61 1 n LYS 62 1 n GLU 63 1 n SER 64 1 n SER 65 1 n LEU 66 1 n SER 67 1 n CYS 68 1 n PHE 69 1 n LYS 70 1 n LEU 71 1 n HIS 72 1 n GLU 73 1 n ASN 74 1 n GLY 75 1 n VAL 76 1 n PRO 77 1 n GLU 78 1 n ASN 79 1 n GLN 80 1 n LEU 81 1 n GLY 82 1 n LEU 83 1 n ILE 84 1 n ASN 85 1 n LEU 86 1 n LYS 87 1 n PHE 88 1 n MET 89 1 n ILE 90 1 n PRO 91 1 n ILE 92 1 n ILE 93 1 n GLU 94 1 n ALA 95 1 n GLU 96 1 n VAL 97 1 n SER 98 1 n LEU 99 1 n LEU 100 1 n ASP 101 1 n LEU 102 1 n GLY 103 1 n ASN 104 1 n MET 105 1 n PRO 106 1 n ASN 107 1 n THR 108 1 n PRO 109 1 n TYR 110 1 n LYS 111 1 n ARG 112 1 n MET 113 1 n LEU 114 1 n TYR 115 1 n LYS 116 1 n GLN 117 1 n LEU 118 1 n GLN 119 1 n PHE 120 1 n ILE 121 1 n ARG 122 1 n ALA 123 1 n ASN 124 1 n SER 125 1 n ASP 126 1 n LYS 127 1 n ILE 128 1 n ALA 129 1 n SER 130 1 n LYS 131 1 n SER 132 1 n ASP 133 1 n THR 134 1 n LEU 135 1 n ARG 136 1 n ASN 137 1 n LEU 138 1 n VAL 139 1 n LEU 140 1 n GLN 141 1 n GLY 142 1 n LYS 143 1 n MET 144 1 n GLN 145 1 n GLY 146 1 n THR 147 1 n CYS 148 1 n ASN 149 1 n PHE 150 1 n SER 151 1 n LEU 152 1 n LEU 153 1 n GLU 154 1 n GLU 155 1 n LYS 156 1 n TYR 157 1 n ARG 158 1 n ASP 159 1 n PHE 160 1 n GLY 161 1 n LYS 162 1 n GLU 163 1 n ALA 164 1 n GLU 165 1 n ASP 166 1 n THR 167 1 n GLU 168 1 n GLU 169 1 n GLY 170 1 n GLU 171 2 n MET 1 2 n HIS 2 2 n ILE 3 2 n VAL 4 2 n LEU 5 2 n PHE 6 2 n LYS 7 2 n PRO 8 2 n THR 9 2 n PRO 10 2 n TYR 11 2 n ASN 12 2 n VAL 13 2 n ARG 14 2 n LYS 15 2 n ASN 16 2 n THR 17 2 n GLN 18 2 n PHE 19 2 n LYS 20 2 n ALA 21 2 n LEU 22 2 n ILE 23 2 n ALA 24 2 n ASP 25 2 n THR 26 2 n TRP 27 2 n GLU 28 2 n LEU 29 2 n VAL 30 2 n LEU 31 2 n ASP 32 2 n ILE 33 2 n PRO 34 2 n ALA 35 2 n GLU 36 2 n GLU 37 2 n SER 38 2 n PRO 39 2 n PRO 40 2 n PHE 41 2 n GLY 42 2 n ARG 43 2 n VAL 44 2 n GLU 45 2 n PHE 46 2 n ILE 47 2 n LYS 48 2 n PHE 49 2 n ALA 50 2 n VAL 51 2 n ARG 52 2 n PRO 53 2 n THR 54 2 n LYS 55 2 n ARG 56 2 n GLN 57 2 n ILE 58 2 n ARG 59 2 n GLN 60 2 n CYS 61 2 n LYS 62 2 n ARG 63 2 n TYR 64 2 n PHE 65 2 n ARG 66 2 n LYS 67 2 n ILE 68 2 n VAL 69 2 n LYS 70 2 n LEU 71 2 n GLU 72 2 n LYS 73 2 n GLN 74 2 n PHE 75 2 n VAL 76 2 n THR 77 2 n CYS 78 2 n ASP 79 2 n TYR 80 2 n ALA 81 2 n GLU 82 2 n ILE 83 2 n LEU 84 2 n LYS 85 # _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 10:34:16)" _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 75.42 _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 77.28 1 1 A LYS 2 2 78.99 1 2 A PHE 3 2 86.40 1 3 A TYR 4 2 88.13 1 4 A THR 5 2 84.17 1 5 A ILE 6 2 86.18 1 6 A SER 7 2 85.69 1 7 A SER 8 2 83.43 1 8 A LYS 9 2 75.90 1 9 A TYR 10 2 88.89 1 10 A ILE 11 2 85.32 1 11 A GLU 12 2 78.08 1 12 A TYR 13 2 88.05 1 13 A LEU 14 2 87.36 1 14 A LYS 15 2 81.10 1 15 A GLU 16 2 80.80 1 16 A PHE 17 2 85.61 1 17 A ASP 18 2 84.41 1 18 A ASP 19 2 78.65 1 19 A LYS 20 2 76.86 1 20 A VAL 21 2 81.96 1 21 A PRO 22 2 81.28 1 22 A ASN 23 2 71.81 1 23 A SER 24 2 68.16 1 24 A GLU 25 2 57.29 1 25 A ASP 26 2 53.65 1 26 A PRO 27 2 49.75 1 27 A THR 28 2 49.28 1 28 A TYR 29 2 45.51 1 29 A GLN 30 2 45.52 1 30 A ASN 31 2 55.34 1 31 A PRO 32 2 65.50 1 32 A LYS 33 2 69.50 1 33 A ALA 34 2 83.86 1 34 A PHE 35 2 86.64 1 35 A ILE 36 2 82.17 1 36 A GLY 37 2 83.55 1 37 A ILE 38 2 78.21 1 38 A VAL 39 2 76.58 1 39 A LEU 40 2 77.42 1 40 A GLU 41 2 76.81 1 41 A ILE 42 2 77.89 1 42 A GLN 43 2 76.05 1 43 A GLY 44 2 85.62 1 44 A HIS 45 2 83.53 1 45 A LYS 46 2 84.21 1 46 A TYR 47 2 87.78 1 47 A LEU 48 2 88.03 1 48 A ALA 49 2 89.50 1 49 A PRO 50 2 88.43 1 50 A LEU 51 2 82.11 1 51 A THR 52 2 75.42 1 52 A SER 53 2 71.52 1 53 A PRO 54 2 68.16 1 54 A LYS 55 2 62.52 1 55 A LYS 56 2 51.51 1 56 A TRP 57 2 54.63 1 57 A HIS 58 2 63.40 1 58 A ASN 59 2 60.53 1 59 A ASN 60 2 61.97 1 60 A VAL 61 2 65.32 1 61 A LYS 62 2 56.47 1 62 A GLU 63 2 55.62 1 63 A SER 64 2 52.87 1 64 A SER 65 2 65.89 1 65 A LEU 66 2 65.38 1 66 A SER 67 2 74.51 1 67 A CYS 68 2 80.39 1 68 A PHE 69 2 83.04 1 69 A LYS 70 2 77.77 1 70 A LEU 71 2 83.42 1 71 A HIS 72 2 77.04 1 72 A GLU 73 2 77.25 1 73 A ASN 74 2 75.78 1 74 A GLY 75 2 77.25 1 75 A VAL 76 2 76.02 1 76 A PRO 77 2 75.37 1 77 A GLU 78 2 66.95 1 78 A ASN 79 2 74.52 1 79 A GLN 80 2 72.72 1 80 A LEU 81 2 81.35 1 81 A GLY 82 2 83.81 1 82 A LEU 83 2 81.92 1 83 A ILE 84 2 85.70 1 84 A ASN 85 2 82.24 1 85 A LEU 86 2 84.81 1 86 A LYS 87 2 79.27 1 87 A PHE 88 2 84.47 1 88 A MET 89 2 87.38 1 89 A ILE 90 2 85.91 1 90 A PRO 91 2 90.91 1 91 A ILE 92 2 84.02 1 92 A ILE 93 2 82.57 1 93 A GLU 94 2 78.28 1 94 A ALA 95 2 87.39 1 95 A GLU 96 2 84.57 1 96 A VAL 97 2 85.08 1 97 A SER 98 2 84.87 1 98 A LEU 99 2 82.15 1 99 A LEU 100 2 81.57 1 100 A ASP 101 2 76.44 1 101 A LEU 102 2 80.17 1 102 A GLY 103 2 79.88 1 103 A ASN 104 2 77.48 1 104 A MET 105 2 79.53 1 105 A PRO 106 2 83.26 1 106 A ASN 107 2 81.20 1 107 A THR 108 2 79.14 1 108 A PRO 109 2 80.36 1 109 A TYR 110 2 78.29 1 110 A LYS 111 2 84.88 1 111 A ARG 112 2 77.82 1 112 A MET 113 2 80.04 1 113 A LEU 114 2 85.50 1 114 A TYR 115 2 87.90 1 115 A LYS 116 2 82.22 1 116 A GLN 117 2 85.66 1 117 A LEU 118 2 86.95 1 118 A GLN 119 2 87.20 1 119 A PHE 120 2 87.29 1 120 A ILE 121 2 88.67 1 121 A ARG 122 2 84.03 1 122 A ALA 123 2 87.17 1 123 A ASN 124 2 85.85 1 124 A SER 125 2 85.92 1 125 A ASP 126 2 79.45 1 126 A LYS 127 2 77.55 1 127 A ILE 128 2 86.66 1 128 A ALA 129 2 87.32 1 129 A SER 130 2 84.55 1 130 A LYS 131 2 82.50 1 131 A SER 132 2 85.70 1 132 A ASP 133 2 84.01 1 133 A THR 134 2 84.30 1 134 A LEU 135 2 84.39 1 135 A ARG 136 2 82.88 1 136 A ASN 137 2 81.89 1 137 A LEU 138 2 83.50 1 138 A VAL 139 2 84.11 1 139 A LEU 140 2 81.81 1 140 A GLN 141 2 78.50 1 141 A GLY 142 2 81.40 1 142 A LYS 143 2 71.88 1 143 A MET 144 2 72.86 1 144 A GLN 145 2 68.67 1 145 A GLY 146 2 82.73 1 146 A THR 147 2 82.54 1 147 A CYS 148 2 85.21 1 148 A ASN 149 2 82.32 1 149 A PHE 150 2 82.35 1 150 A SER 151 2 82.96 1 151 A LEU 152 2 82.33 1 152 A LEU 153 2 83.57 1 153 A GLU 154 2 81.82 1 154 A GLU 155 2 78.50 1 155 A LYS 156 2 80.93 1 156 A TYR 157 2 84.53 1 157 A ARG 158 2 76.47 1 158 A ASP 159 2 81.27 1 159 A PHE 160 2 81.46 1 160 A GLY 161 2 75.16 1 161 A LYS 162 2 61.75 1 162 A GLU 163 2 45.52 1 163 A ALA 164 2 46.92 1 164 A GLU 165 2 39.20 1 165 A ASP 166 2 40.64 1 166 A THR 167 2 38.96 1 167 A GLU 168 2 36.32 1 168 A GLU 169 2 34.10 1 169 A GLY 170 2 39.37 1 170 A GLU 171 2 30.58 1 171 B MET 1 2 81.19 1 172 B HIS 2 2 76.24 1 173 B ILE 3 2 84.27 1 174 B VAL 4 2 88.53 1 175 B LEU 5 2 89.13 1 176 B PHE 6 2 86.37 1 177 B LYS 7 2 77.95 1 178 B PRO 8 2 80.78 1 179 B THR 9 2 63.77 1 180 B PRO 10 2 60.22 1 181 B TYR 11 2 44.64 1 182 B ASN 12 2 48.17 1 183 B VAL 13 2 48.26 1 184 B ARG 14 2 41.47 1 185 B LYS 15 2 38.33 1 186 B ASN 16 2 41.99 1 187 B THR 17 2 46.97 1 188 B GLN 18 2 43.26 1 189 B PHE 19 2 47.27 1 190 B LYS 20 2 45.64 1 191 B ALA 21 2 49.21 1 192 B LEU 22 2 47.63 1 193 B ILE 23 2 51.96 1 194 B ALA 24 2 66.33 1 195 B ASP 25 2 67.50 1 196 B THR 26 2 79.97 1 197 B TRP 27 2 88.62 1 198 B GLU 28 2 83.99 1 199 B LEU 29 2 90.87 1 200 B VAL 30 2 90.66 1 201 B LEU 31 2 88.99 1 202 B ASP 32 2 88.60 1 203 B ILE 33 2 88.05 1 204 B PRO 34 2 85.31 1 205 B ALA 35 2 82.69 1 206 B GLU 36 2 73.75 1 207 B GLU 37 2 78.27 1 208 B SER 38 2 80.70 1 209 B PRO 39 2 77.32 1 210 B PRO 40 2 74.96 1 211 B PHE 41 2 75.79 1 212 B GLY 42 2 85.36 1 213 B ARG 43 2 79.50 1 214 B VAL 44 2 88.79 1 215 B GLU 45 2 86.03 1 216 B PHE 46 2 87.73 1 217 B ILE 47 2 88.53 1 218 B LYS 48 2 81.96 1 219 B PHE 49 2 90.38 1 220 B ALA 50 2 88.09 1 221 B VAL 51 2 87.99 1 222 B ARG 52 2 83.00 1 223 B PRO 53 2 93.65 1 224 B THR 54 2 92.00 1 225 B LYS 55 2 85.96 1 226 B ARG 56 2 79.42 1 227 B GLN 57 2 90.93 1 228 B ILE 58 2 92.25 1 229 B ARG 59 2 80.88 1 230 B GLN 60 2 86.14 1 231 B CYS 61 2 92.14 1 232 B LYS 62 2 85.84 1 233 B ARG 63 2 78.26 1 234 B TYR 64 2 86.36 1 235 B PHE 65 2 87.42 1 236 B ARG 66 2 79.07 1 237 B LYS 67 2 80.55 1 238 B ILE 68 2 83.80 1 239 B VAL 69 2 82.06 1 240 B LYS 70 2 76.24 1 241 B LEU 71 2 81.37 1 242 B GLU 72 2 72.66 1 243 B LYS 73 2 70.69 1 244 B GLN 74 2 70.61 1 245 B PHE 75 2 65.78 1 246 B VAL 76 2 67.65 1 247 B THR 77 2 65.19 1 248 B CYS 78 2 67.03 1 249 B ASP 79 2 62.25 1 250 B TYR 80 2 57.21 1 251 B ALA 81 2 67.17 1 252 B GLU 82 2 60.56 1 253 B ILE 83 2 62.96 1 254 B LEU 84 2 59.63 1 255 B LYS 85 2 49.41 1 256 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # loop_ _ma_target_entity.data_id _ma_target_entity.entity_id _ma_target_entity.origin 1 1 . 1 2 . # loop_ _ma_target_entity_instance.asym_id _ma_target_entity_instance.details _ma_target_entity_instance.entity_id A . 1 B . 2 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n LYS . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n TYR . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n LYS . 9 A 9 A 10 1 n TYR . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n GLU . 12 A 12 A 13 1 n TYR . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LYS . 15 A 15 A 16 1 n GLU . 16 A 16 A 17 1 n PHE . 17 A 17 A 18 1 n ASP . 18 A 18 A 19 1 n ASP . 19 A 19 A 20 1 n LYS . 20 A 20 A 21 1 n VAL . 21 A 21 A 22 1 n PRO . 22 A 22 A 23 1 n ASN . 23 A 23 A 24 1 n SER . 24 A 24 A 25 1 n GLU . 25 A 25 A 26 1 n ASP . 26 A 26 A 27 1 n PRO . 27 A 27 A 28 1 n THR . 28 A 28 A 29 1 n TYR . 29 A 29 A 30 1 n GLN . 30 A 30 A 31 1 n ASN . 31 A 31 A 32 1 n PRO . 32 A 32 A 33 1 n LYS . 33 A 33 A 34 1 n ALA . 34 A 34 A 35 1 n PHE . 35 A 35 A 36 1 n ILE . 36 A 36 A 37 1 n GLY . 37 A 37 A 38 1 n ILE . 38 A 38 A 39 1 n VAL . 39 A 39 A 40 1 n LEU . 40 A 40 A 41 1 n GLU . 41 A 41 A 42 1 n ILE . 42 A 42 A 43 1 n GLN . 43 A 43 A 44 1 n GLY . 44 A 44 A 45 1 n HIS . 45 A 45 A 46 1 n LYS . 46 A 46 A 47 1 n TYR . 47 A 47 A 48 1 n LEU . 48 A 48 A 49 1 n ALA . 49 A 49 A 50 1 n PRO . 50 A 50 A 51 1 n LEU . 51 A 51 A 52 1 n THR . 52 A 52 A 53 1 n SER . 53 A 53 A 54 1 n PRO . 54 A 54 A 55 1 n LYS . 55 A 55 A 56 1 n LYS . 56 A 56 A 57 1 n TRP . 57 A 57 A 58 1 n HIS . 58 A 58 A 59 1 n ASN . 59 A 59 A 60 1 n ASN . 60 A 60 A 61 1 n VAL . 61 A 61 A 62 1 n LYS . 62 A 62 A 63 1 n GLU . 63 A 63 A 64 1 n SER . 64 A 64 A 65 1 n SER . 65 A 65 A 66 1 n LEU . 66 A 66 A 67 1 n SER . 67 A 67 A 68 1 n CYS . 68 A 68 A 69 1 n PHE . 69 A 69 A 70 1 n LYS . 70 A 70 A 71 1 n LEU . 71 A 71 A 72 1 n HIS . 72 A 72 A 73 1 n GLU . 73 A 73 A 74 1 n ASN . 74 A 74 A 75 1 n GLY . 75 A 75 A 76 1 n VAL . 76 A 76 A 77 1 n PRO . 77 A 77 A 78 1 n GLU . 78 A 78 A 79 1 n ASN . 79 A 79 A 80 1 n GLN . 80 A 80 A 81 1 n LEU . 81 A 81 A 82 1 n GLY . 82 A 82 A 83 1 n LEU . 83 A 83 A 84 1 n ILE . 84 A 84 A 85 1 n ASN . 85 A 85 A 86 1 n LEU . 86 A 86 A 87 1 n LYS . 87 A 87 A 88 1 n PHE . 88 A 88 A 89 1 n MET . 89 A 89 A 90 1 n ILE . 90 A 90 A 91 1 n PRO . 91 A 91 A 92 1 n ILE . 92 A 92 A 93 1 n ILE . 93 A 93 A 94 1 n GLU . 94 A 94 A 95 1 n ALA . 95 A 95 A 96 1 n GLU . 96 A 96 A 97 1 n VAL . 97 A 97 A 98 1 n SER . 98 A 98 A 99 1 n LEU . 99 A 99 A 100 1 n LEU . 100 A 100 A 101 1 n ASP . 101 A 101 A 102 1 n LEU . 102 A 102 A 103 1 n GLY . 103 A 103 A 104 1 n ASN . 104 A 104 A 105 1 n MET . 105 A 105 A 106 1 n PRO . 106 A 106 A 107 1 n ASN . 107 A 107 A 108 1 n THR . 108 A 108 A 109 1 n PRO . 109 A 109 A 110 1 n TYR . 110 A 110 A 111 1 n LYS . 111 A 111 A 112 1 n ARG . 112 A 112 A 113 1 n MET . 113 A 113 A 114 1 n LEU . 114 A 114 A 115 1 n TYR . 115 A 115 A 116 1 n LYS . 116 A 116 A 117 1 n GLN . 117 A 117 A 118 1 n LEU . 118 A 118 A 119 1 n GLN . 119 A 119 A 120 1 n PHE . 120 A 120 A 121 1 n ILE . 121 A 121 A 122 1 n ARG . 122 A 122 A 123 1 n ALA . 123 A 123 A 124 1 n ASN . 124 A 124 A 125 1 n SER . 125 A 125 A 126 1 n ASP . 126 A 126 A 127 1 n LYS . 127 A 127 A 128 1 n ILE . 128 A 128 A 129 1 n ALA . 129 A 129 A 130 1 n SER . 130 A 130 A 131 1 n LYS . 131 A 131 A 132 1 n SER . 132 A 132 A 133 1 n ASP . 133 A 133 A 134 1 n THR . 134 A 134 A 135 1 n LEU . 135 A 135 A 136 1 n ARG . 136 A 136 A 137 1 n ASN . 137 A 137 A 138 1 n LEU . 138 A 138 A 139 1 n VAL . 139 A 139 A 140 1 n LEU . 140 A 140 A 141 1 n GLN . 141 A 141 A 142 1 n GLY . 142 A 142 A 143 1 n LYS . 143 A 143 A 144 1 n MET . 144 A 144 A 145 1 n GLN . 145 A 145 A 146 1 n GLY . 146 A 146 A 147 1 n THR . 147 A 147 A 148 1 n CYS . 148 A 148 A 149 1 n ASN . 149 A 149 A 150 1 n PHE . 150 A 150 A 151 1 n SER . 151 A 151 A 152 1 n LEU . 152 A 152 A 153 1 n LEU . 153 A 153 A 154 1 n GLU . 154 A 154 A 155 1 n GLU . 155 A 155 A 156 1 n LYS . 156 A 156 A 157 1 n TYR . 157 A 157 A 158 1 n ARG . 158 A 158 A 159 1 n ASP . 159 A 159 A 160 1 n PHE . 160 A 160 A 161 1 n GLY . 161 A 161 A 162 1 n LYS . 162 A 162 A 163 1 n GLU . 163 A 163 A 164 1 n ALA . 164 A 164 A 165 1 n GLU . 165 A 165 A 166 1 n ASP . 166 A 166 A 167 1 n THR . 167 A 167 A 168 1 n GLU . 168 A 168 A 169 1 n GLU . 169 A 169 A 170 1 n GLY . 170 A 170 A 171 1 n GLU . 171 A 171 B 1 2 n MET . 1 B 1 B 2 2 n HIS . 2 B 2 B 3 2 n ILE . 3 B 3 B 4 2 n VAL . 4 B 4 B 5 2 n LEU . 5 B 5 B 6 2 n PHE . 6 B 6 B 7 2 n LYS . 7 B 7 B 8 2 n PRO . 8 B 8 B 9 2 n THR . 9 B 9 B 10 2 n PRO . 10 B 10 B 11 2 n TYR . 11 B 11 B 12 2 n ASN . 12 B 12 B 13 2 n VAL . 13 B 13 B 14 2 n ARG . 14 B 14 B 15 2 n LYS . 15 B 15 B 16 2 n ASN . 16 B 16 B 17 2 n THR . 17 B 17 B 18 2 n GLN . 18 B 18 B 19 2 n PHE . 19 B 19 B 20 2 n LYS . 20 B 20 B 21 2 n ALA . 21 B 21 B 22 2 n LEU . 22 B 22 B 23 2 n ILE . 23 B 23 B 24 2 n ALA . 24 B 24 B 25 2 n ASP . 25 B 25 B 26 2 n THR . 26 B 26 B 27 2 n TRP . 27 B 27 B 28 2 n GLU . 28 B 28 B 29 2 n LEU . 29 B 29 B 30 2 n VAL . 30 B 30 B 31 2 n LEU . 31 B 31 B 32 2 n ASP . 32 B 32 B 33 2 n ILE . 33 B 33 B 34 2 n PRO . 34 B 34 B 35 2 n ALA . 35 B 35 B 36 2 n GLU . 36 B 36 B 37 2 n GLU . 37 B 37 B 38 2 n SER . 38 B 38 B 39 2 n PRO . 39 B 39 B 40 2 n PRO . 40 B 40 B 41 2 n PHE . 41 B 41 B 42 2 n GLY . 42 B 42 B 43 2 n ARG . 43 B 43 B 44 2 n VAL . 44 B 44 B 45 2 n GLU . 45 B 45 B 46 2 n PHE . 46 B 46 B 47 2 n ILE . 47 B 47 B 48 2 n LYS . 48 B 48 B 49 2 n PHE . 49 B 49 B 50 2 n ALA . 50 B 50 B 51 2 n VAL . 51 B 51 B 52 2 n ARG . 52 B 52 B 53 2 n PRO . 53 B 53 B 54 2 n THR . 54 B 54 B 55 2 n LYS . 55 B 55 B 56 2 n ARG . 56 B 56 B 57 2 n GLN . 57 B 57 B 58 2 n ILE . 58 B 58 B 59 2 n ARG . 59 B 59 B 60 2 n GLN . 60 B 60 B 61 2 n CYS . 61 B 61 B 62 2 n LYS . 62 B 62 B 63 2 n ARG . 63 B 63 B 64 2 n TYR . 64 B 64 B 65 2 n PHE . 65 B 65 B 66 2 n ARG . 66 B 66 B 67 2 n LYS . 67 B 67 B 68 2 n ILE . 68 B 68 B 69 2 n VAL . 69 B 69 B 70 2 n LYS . 70 B 70 B 71 2 n LEU . 71 B 71 B 72 2 n GLU . 72 B 72 B 73 2 n LYS . 73 B 73 B 74 2 n GLN . 74 B 74 B 75 2 n PHE . 75 B 75 B 76 2 n VAL . 76 B 76 B 77 2 n THR . 77 B 77 B 78 2 n CYS . 78 B 78 B 79 2 n ASP . 79 B 79 B 80 2 n TYR . 80 B 80 B 81 2 n ALA . 81 B 81 B 82 2 n GLU . 82 B 82 B 83 2 n ILE . 83 B 83 B 84 2 n LEU . 84 B 84 B 85 2 n LYS . 85 B 85 # _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 ? -2.508 -1.040 8.432 1.00 77.48 1 A 1 ATOM 2 C CA . MET A 1 1 ? -2.171 -1.263 7.010 1.00 82.93 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.921 -0.480 6.633 1.00 84.16 1 A 1 ATOM 4 O O . MET A 1 1 ? -0.656 0.572 7.213 1.00 80.16 1 A 1 ATOM 5 C CB . MET A 1 1 ? -3.332 -0.887 6.084 1.00 78.80 1 A 1 ATOM 6 C CG . MET A 1 1 ? -4.461 -1.900 6.165 1.00 74.88 1 A 1 ATOM 7 S SD . MET A 1 1 ? -5.744 -1.603 4.935 1.00 74.05 1 A 1 ATOM 8 C CE . MET A 1 1 ? -6.897 -2.926 5.380 1.00 65.74 1 A 1 ATOM 9 N N . LYS A 1 2 ? -0.149 -1.002 5.632 1.00 85.23 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 1.087 -0.406 5.115 1.00 85.89 2 A 1 ATOM 11 C C . LYS A 1 2 ? 1.075 -0.480 3.585 1.00 87.52 2 A 1 ATOM 12 O O . LYS A 1 2 ? 0.276 -1.219 3.001 1.00 85.19 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 2.308 -1.119 5.739 1.00 82.52 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 2.404 -0.974 7.277 1.00 79.25 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 3.576 -1.750 7.907 1.00 75.77 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 3.547 -1.630 9.444 1.00 68.86 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 4.513 -2.512 10.168 1.00 60.68 2 A 1 ATOM 18 N N . PHE A 1 3 ? 1.931 0.312 2.951 1.00 88.15 3 A 1 ATOM 19 C CA . PHE A 1 3 ? 2.181 0.192 1.521 1.00 88.98 3 A 1 ATOM 20 C C . PHE A 1 3 ? 3.243 -0.873 1.265 1.00 89.57 3 A 1 ATOM 21 O O . PHE A 1 3 ? 4.232 -0.946 1.997 1.00 87.62 3 A 1 ATOM 22 C CB . PHE A 1 3 ? 2.628 1.530 0.934 1.00 87.66 3 A 1 ATOM 23 C CG . PHE A 1 3 ? 1.592 2.620 1.000 1.00 87.85 3 A 1 ATOM 24 C CD1 . PHE A 1 3 ? 0.384 2.485 0.303 1.00 84.96 3 A 1 ATOM 25 C CD2 . PHE A 1 3 ? 1.845 3.796 1.725 1.00 84.94 3 A 1 ATOM 26 C CE1 . PHE A 1 3 ? -0.570 3.515 0.325 1.00 83.63 3 A 1 ATOM 27 C CE2 . PHE A 1 3 ? 0.896 4.831 1.747 1.00 82.96 3 A 1 ATOM 28 C CZ . PHE A 1 3 ? -0.313 4.689 1.045 1.00 84.03 3 A 1 ATOM 29 N N . TYR A 1 4 ? 3.035 -1.641 0.201 1.00 89.96 4 A 1 ATOM 30 C CA . TYR A 1 4 ? 3.930 -2.702 -0.224 1.00 90.27 4 A 1 ATOM 31 C C . TYR A 1 4 ? 4.214 -2.598 -1.717 1.00 90.13 4 A 1 ATOM 32 O O . TYR A 1 4 ? 3.413 -2.060 -2.490 1.00 88.05 4 A 1 ATOM 33 C CB . TYR A 1 4 ? 3.315 -4.059 0.122 1.00 89.58 4 A 1 ATOM 34 C CG . TYR A 1 4 ? 3.090 -4.291 1.603 1.00 90.10 4 A 1 ATOM 35 C CD1 . TYR A 1 4 ? 4.077 -4.913 2.383 1.00 87.01 4 A 1 ATOM 36 C CD2 . TYR A 1 4 ? 1.879 -3.898 2.211 1.00 87.35 4 A 1 ATOM 37 C CE1 . TYR A 1 4 ? 3.867 -5.151 3.748 1.00 86.14 4 A 1 ATOM 38 C CE2 . TYR A 1 4 ? 1.660 -4.125 3.581 1.00 86.16 4 A 1 ATOM 39 C CZ . TYR A 1 4 ? 2.657 -4.757 4.346 1.00 87.53 4 A 1 ATOM 40 O OH . TYR A 1 4 ? 2.450 -4.988 5.684 1.00 85.29 4 A 1 ATOM 41 N N . THR A 1 5 ? 5.340 -3.146 -2.109 1.00 89.05 5 A 1 ATOM 42 C CA . THR A 1 5 ? 5.636 -3.529 -3.487 1.00 88.34 5 A 1 ATOM 43 C C . THR A 1 5 ? 5.733 -5.049 -3.553 1.00 89.11 5 A 1 ATOM 44 O O . THR A 1 5 ? 6.093 -5.690 -2.563 1.00 87.56 5 A 1 ATOM 45 C CB . THR A 1 5 ? 6.923 -2.867 -3.992 1.00 85.84 5 A 1 ATOM 46 O OG1 . THR A 1 5 ? 8.012 -3.146 -3.147 1.00 75.73 5 A 1 ATOM 47 C CG2 . THR A 1 5 ? 6.777 -1.345 -4.038 1.00 73.56 5 A 1 ATOM 48 N N . ILE A 1 6 ? 5.370 -5.619 -4.696 1.00 88.22 6 A 1 ATOM 49 C CA . ILE A 1 6 ? 5.411 -7.064 -4.938 1.00 88.49 6 A 1 ATOM 50 C C . ILE A 1 6 ? 6.432 -7.312 -6.042 1.00 87.79 6 A 1 ATOM 51 O O . ILE A 1 6 ? 6.526 -6.502 -6.967 1.00 85.21 6 A 1 ATOM 52 C CB . ILE A 1 6 ? 4.007 -7.609 -5.280 1.00 88.19 6 A 1 ATOM 53 C CG1 . ILE A 1 6 ? 2.981 -7.216 -4.187 1.00 85.25 6 A 1 ATOM 54 C CG2 . ILE A 1 6 ? 4.059 -9.137 -5.456 1.00 83.23 6 A 1 ATOM 55 C CD1 . ILE A 1 6 ? 1.558 -7.718 -4.435 1.00 83.05 6 A 1 ATOM 56 N N . SER A 1 7 ? 7.196 -8.393 -5.942 1.00 87.92 7 A 1 ATOM 57 C CA . SER A 1 7 ? 8.210 -8.721 -6.940 1.00 87.19 7 A 1 ATOM 58 C C . SER A 1 7 ? 7.568 -8.950 -8.314 1.00 87.47 7 A 1 ATOM 59 O O . SER A 1 7 ? 6.472 -9.503 -8.422 1.00 85.95 7 A 1 ATOM 60 C CB . SER A 1 7 ? 9.047 -9.932 -6.502 1.00 85.70 7 A 1 ATOM 61 O OG . SER A 1 7 ? 8.325 -11.130 -6.657 1.00 79.91 7 A 1 ATOM 62 N N . SER A 1 8 ? 8.252 -8.527 -9.384 1.00 86.88 8 A 1 ATOM 63 C CA . SER A 1 8 ? 7.772 -8.739 -10.754 1.00 86.24 8 A 1 ATOM 64 C C . SER A 1 8 ? 7.648 -10.228 -11.069 1.00 87.60 8 A 1 ATOM 65 O O . SER A 1 8 ? 6.628 -10.639 -11.607 1.00 85.82 8 A 1 ATOM 66 C CB . SER A 1 8 ? 8.681 -8.039 -11.772 1.00 82.93 8 A 1 ATOM 67 O OG . SER A 1 8 ? 8.751 -6.650 -11.486 1.00 71.11 8 A 1 ATOM 68 N N . LYS A 1 9 ? 8.606 -11.043 -10.623 1.00 86.88 9 A 1 ATOM 69 C CA . LYS A 1 9 ? 8.592 -12.503 -10.803 1.00 88.01 9 A 1 ATOM 70 C C . LYS A 1 9 ? 7.338 -13.153 -10.213 1.00 89.73 9 A 1 ATOM 71 O O . LYS A 1 9 ? 6.695 -13.963 -10.866 1.00 88.21 9 A 1 ATOM 72 C CB . LYS A 1 9 ? 9.832 -13.132 -10.156 1.00 86.14 9 A 1 ATOM 73 C CG . LYS A 1 9 ? 11.146 -12.755 -10.855 1.00 74.20 9 A 1 ATOM 74 C CD . LYS A 1 9 ? 12.300 -13.517 -10.196 1.00 67.20 9 A 1 ATOM 75 C CE . LYS A 1 9 ? 13.629 -13.240 -10.897 1.00 55.01 9 A 1 ATOM 76 N NZ . LYS A 1 9 ? 14.722 -14.073 -10.329 1.00 47.70 9 A 1 ATOM 77 N N . TYR A 1 10 ? 6.960 -12.766 -9.004 1.00 88.10 10 A 1 ATOM 78 C CA . TYR A 1 10 ? 5.757 -13.308 -8.369 1.00 89.56 10 A 1 ATOM 79 C C . TYR A 1 10 ? 4.473 -12.873 -9.085 1.00 90.31 10 A 1 ATOM 80 O O . TYR A 1 10 ? 3.545 -13.660 -9.243 1.00 88.71 10 A 1 ATOM 81 C CB . TYR A 1 10 ? 5.729 -12.884 -6.903 1.00 89.19 10 A 1 ATOM 82 C CG . TYR A 1 10 ? 4.536 -13.432 -6.152 1.00 90.10 10 A 1 ATOM 83 C CD1 . TYR A 1 10 ? 3.480 -12.588 -5.752 1.00 88.38 10 A 1 ATOM 84 C CD2 . TYR A 1 10 ? 4.466 -14.811 -5.867 1.00 88.20 10 A 1 ATOM 85 C CE1 . TYR A 1 10 ? 2.383 -13.108 -5.056 1.00 87.98 10 A 1 ATOM 86 C CE2 . TYR A 1 10 ? 3.370 -15.343 -5.175 1.00 87.67 10 A 1 ATOM 87 C CZ . TYR A 1 10 ? 2.331 -14.485 -4.765 1.00 89.71 10 A 1 ATOM 88 O OH . TYR A 1 10 ? 1.264 -15.001 -4.077 1.00 88.81 10 A 1 ATOM 89 N N . ILE A 1 11 ? 4.404 -11.627 -9.557 1.00 89.28 11 A 1 ATOM 90 C CA . ILE A 1 11 ? 3.269 -11.136 -10.346 1.00 88.20 11 A 1 ATOM 91 C C . ILE A 1 11 ? 3.166 -11.869 -11.688 1.00 88.68 11 A 1 ATOM 92 O O . ILE A 1 11 ? 2.058 -12.202 -12.095 1.00 87.55 11 A 1 ATOM 93 C CB . ILE A 1 11 ? 3.365 -9.610 -10.543 1.00 86.75 11 A 1 ATOM 94 C CG1 . ILE A 1 11 ? 3.159 -8.834 -9.222 1.00 83.27 11 A 1 ATOM 95 C CG2 . ILE A 1 11 ? 2.390 -9.100 -11.617 1.00 82.80 11 A 1 ATOM 96 C CD1 . ILE A 1 11 ? 1.739 -8.887 -8.630 1.00 76.02 11 A 1 ATOM 97 N N . GLU A 1 12 ? 4.285 -12.096 -12.365 1.00 88.59 12 A 1 ATOM 98 C CA . GLU A 1 12 ? 4.340 -12.852 -13.620 1.00 88.03 12 A 1 ATOM 99 C C . GLU A 1 12 ? 3.839 -14.282 -13.409 1.00 89.02 12 A 1 ATOM 100 O O . GLU A 1 12 ? 2.917 -14.689 -14.107 1.00 88.08 12 A 1 ATOM 101 C CB . GLU A 1 12 ? 5.766 -12.817 -14.189 1.00 86.94 12 A 1 ATOM 102 C CG . GLU A 1 12 ? 6.073 -11.447 -14.810 1.00 77.46 12 A 1 ATOM 103 C CD . GLU A 1 12 ? 7.561 -11.190 -15.100 1.00 67.29 12 A 1 ATOM 104 O OE1 . GLU A 1 12 ? 7.870 -10.029 -15.467 1.00 58.26 12 A 1 ATOM 105 O OE2 . GLU A 1 12 ? 8.396 -12.097 -14.898 1.00 59.03 12 A 1 ATOM 106 N N . TYR A 1 13 ? 4.318 -14.964 -12.376 1.00 88.78 13 A 1 ATOM 107 C CA . TYR A 1 13 ? 3.836 -16.295 -12.002 1.00 89.65 13 A 1 ATOM 108 C C . TYR A 1 13 ? 2.317 -16.333 -11.780 1.00 91.06 13 A 1 ATOM 109 O O . TYR A 1 13 ? 1.616 -17.166 -12.351 1.00 88.89 13 A 1 ATOM 110 C CB . TYR A 1 13 ? 4.578 -16.749 -10.743 1.00 88.47 13 A 1 ATOM 111 C CG . TYR A 1 13 ? 4.012 -18.013 -10.139 1.00 89.10 13 A 1 ATOM 112 C CD1 . TYR A 1 13 ? 3.128 -17.948 -9.044 1.00 86.92 13 A 1 ATOM 113 C CD2 . TYR A 1 13 ? 4.335 -19.266 -10.700 1.00 87.93 13 A 1 ATOM 114 C CE1 . TYR A 1 13 ? 2.584 -19.120 -8.499 1.00 86.57 13 A 1 ATOM 115 C CE2 . TYR A 1 13 ? 3.795 -20.446 -10.163 1.00 86.68 13 A 1 ATOM 116 C CZ . TYR A 1 13 ? 2.924 -20.368 -9.059 1.00 87.33 13 A 1 ATOM 117 O OH . TYR A 1 13 ? 2.403 -21.517 -8.519 1.00 85.25 13 A 1 ATOM 118 N N . LEU A 1 14 ? 1.758 -15.405 -11.004 1.00 89.78 14 A 1 ATOM 119 C CA . LEU A 1 14 ? 0.308 -15.372 -10.785 1.00 89.14 14 A 1 ATOM 120 C C . LEU A 1 14 ? -0.485 -15.085 -12.066 1.00 89.47 14 A 1 ATOM 121 O O . LEU A 1 14 ? -1.623 -15.538 -12.188 1.00 87.51 14 A 1 ATOM 122 C CB . LEU A 1 14 ? -0.050 -14.339 -9.711 1.00 88.50 14 A 1 ATOM 123 C CG . LEU A 1 14 ? 0.366 -14.678 -8.270 1.00 87.27 14 A 1 ATOM 124 C CD1 . LEU A 1 14 ? -0.210 -13.595 -7.357 1.00 84.24 14 A 1 ATOM 125 C CD2 . LEU A 1 14 ? -0.156 -16.032 -7.784 1.00 82.94 14 A 1 ATOM 126 N N . LYS A 1 15 ? 0.087 -14.332 -13.008 1.00 89.80 15 A 1 ATOM 127 C CA . LYS A 1 15 ? -0.548 -14.020 -14.293 1.00 88.10 15 A 1 ATOM 128 C C . LYS A 1 15 ? -0.665 -15.217 -15.219 1.00 87.75 15 A 1 ATOM 129 O O . LYS A 1 15 ? -1.541 -15.192 -16.075 1.00 84.18 15 A 1 ATOM 130 C CB . LYS A 1 15 ? 0.229 -12.934 -15.011 1.00 86.21 15 A 1 ATOM 131 C CG . LYS A 1 15 ? -0.104 -11.555 -14.465 1.00 81.43 15 A 1 ATOM 132 C CD . LYS A 1 15 ? 0.799 -10.584 -15.197 1.00 77.38 15 A 1 ATOM 133 C CE . LYS A 1 15 ? 0.289 -9.171 -15.020 1.00 70.80 15 A 1 ATOM 134 N NZ . LYS A 1 15 ? 0.900 -8.372 -16.090 1.00 64.24 15 A 1 ATOM 135 N N . GLU A 1 16 ? 0.150 -16.235 -15.047 1.00 89.50 16 A 1 ATOM 136 C CA . GLU A 1 16 ? 0.019 -17.492 -15.792 1.00 88.44 16 A 1 ATOM 137 C C . GLU A 1 16 ? -1.323 -18.180 -15.503 1.00 89.29 16 A 1 ATOM 138 O O . GLU A 1 16 ? -1.891 -18.838 -16.367 1.00 86.23 16 A 1 ATOM 139 C CB . GLU A 1 16 ? 1.181 -18.430 -15.440 1.00 87.07 16 A 1 ATOM 140 C CG . GLU A 1 16 ? 2.540 -17.845 -15.853 1.00 80.72 16 A 1 ATOM 141 C CD . GLU A 1 16 ? 3.735 -18.721 -15.454 1.00 73.41 16 A 1 ATOM 142 O OE1 . GLU A 1 16 ? 4.874 -18.247 -15.669 1.00 65.05 16 A 1 ATOM 143 O OE2 . GLU A 1 16 ? 3.515 -19.842 -14.944 1.00 67.49 16 A 1 ATOM 144 N N . PHE A 1 17 ? -1.886 -17.956 -14.314 1.00 89.83 17 A 1 ATOM 145 C CA . PHE A 1 17 ? -3.176 -18.512 -13.902 1.00 88.34 17 A 1 ATOM 146 C C . PHE A 1 17 ? -4.349 -17.542 -14.083 1.00 88.87 17 A 1 ATOM 147 O O . PHE A 1 17 ? -5.490 -17.975 -14.281 1.00 83.55 17 A 1 ATOM 148 C CB . PHE A 1 17 ? -3.081 -18.955 -12.438 1.00 86.35 17 A 1 ATOM 149 C CG . PHE A 1 17 ? -1.938 -19.900 -12.163 1.00 87.82 17 A 1 ATOM 150 C CD1 . PHE A 1 17 ? -1.982 -21.228 -12.632 1.00 84.09 17 A 1 ATOM 151 C CD2 . PHE A 1 17 ? -0.788 -19.437 -11.503 1.00 84.75 17 A 1 ATOM 152 C CE1 . PHE A 1 17 ? -0.885 -22.081 -12.450 1.00 82.12 17 A 1 ATOM 153 C CE2 . PHE A 1 17 ? 0.314 -20.283 -11.318 1.00 82.71 17 A 1 ATOM 154 C CZ . PHE A 1 17 ? 0.270 -21.606 -11.797 1.00 83.30 17 A 1 ATOM 155 N N . ASP A 1 18 ? -4.119 -16.242 -13.968 1.00 88.67 18 A 1 ATOM 156 C CA . ASP A 1 18 ? -5.162 -15.215 -14.062 1.00 87.55 18 A 1 ATOM 157 C C . ASP A 1 18 ? -4.628 -13.910 -14.668 1.00 87.89 18 A 1 ATOM 158 O O . ASP A 1 18 ? -3.862 -13.165 -14.056 1.00 83.54 18 A 1 ATOM 159 C CB . ASP A 1 18 ? -5.795 -14.982 -12.682 1.00 84.42 18 A 1 ATOM 160 C CG . ASP A 1 18 ? -7.067 -14.117 -12.717 1.00 84.63 18 A 1 ATOM 161 O OD1 . ASP A 1 18 ? -7.428 -13.522 -13.760 1.00 79.27 18 A 1 ATOM 162 O OD2 . ASP A 1 18 ? -7.746 -14.045 -11.673 1.00 79.27 18 A 1 ATOM 163 N N . ASP A 1 19 ? -5.120 -13.600 -15.869 1.00 87.55 19 A 1 ATOM 164 C CA . ASP A 1 19 ? -4.780 -12.398 -16.636 1.00 86.25 19 A 1 ATOM 165 C C . ASP A 1 19 ? -5.199 -11.083 -15.960 1.00 87.02 19 A 1 ATOM 166 O O . ASP A 1 19 ? -4.687 -10.008 -16.293 1.00 80.82 19 A 1 ATOM 167 C CB . ASP A 1 19 ? -5.428 -12.518 -18.030 1.00 82.50 19 A 1 ATOM 168 C CG . ASP A 1 19 ? -6.972 -12.435 -18.041 1.00 74.61 19 A 1 ATOM 169 O OD1 . ASP A 1 19 ? -7.635 -12.781 -17.036 1.00 62.68 19 A 1 ATOM 170 O OD2 . ASP A 1 19 ? -7.525 -11.982 -19.068 1.00 67.74 19 A 1 ATOM 171 N N . LYS A 1 20 ? -6.115 -11.146 -14.982 1.00 85.15 20 A 1 ATOM 172 C CA . LYS A 1 20 ? -6.586 -9.975 -14.235 1.00 83.33 20 A 1 ATOM 173 C C . LYS A 1 20 ? -5.639 -9.561 -13.117 1.00 84.62 20 A 1 ATOM 174 O O . LYS A 1 20 ? -5.819 -8.475 -12.556 1.00 81.62 20 A 1 ATOM 175 C CB . LYS A 1 20 ? -7.989 -10.221 -13.677 1.00 81.07 20 A 1 ATOM 176 C CG . LYS A 1 20 ? -8.999 -10.519 -14.787 1.00 79.08 20 A 1 ATOM 177 C CD . LYS A 1 20 ? -10.335 -10.983 -14.211 1.00 72.55 20 A 1 ATOM 178 C CE . LYS A 1 20 ? -11.069 -11.823 -15.261 1.00 66.32 20 A 1 ATOM 179 N NZ . LYS A 1 20 ? -10.283 -13.056 -15.582 1.00 58.01 20 A 1 ATOM 180 N N . VAL A 1 21 ? -4.648 -10.385 -12.803 1.00 85.13 21 A 1 ATOM 181 C CA . VAL A 1 21 ? -3.632 -10.038 -11.808 1.00 84.09 21 A 1 ATOM 182 C C . VAL A 1 21 ? -2.957 -8.717 -12.207 1.00 84.39 21 A 1 ATOM 183 O O . VAL A 1 21 ? -2.521 -8.544 -13.351 1.00 81.95 21 A 1 ATOM 184 C CB . VAL A 1 21 ? -2.611 -11.174 -11.622 1.00 82.64 21 A 1 ATOM 185 C CG1 . VAL A 1 21 ? -1.448 -10.774 -10.712 1.00 77.04 21 A 1 ATOM 186 C CG2 . VAL A 1 21 ? -3.295 -12.386 -10.979 1.00 78.48 21 A 1 ATOM 187 N N . PRO A 1 22 ? -2.901 -7.745 -11.291 1.00 86.13 22 A 1 ATOM 188 C CA . PRO A 1 22 ? -2.356 -6.433 -11.605 1.00 82.41 22 A 1 ATOM 189 C C . PRO A 1 22 ? -0.858 -6.505 -11.903 1.00 83.17 22 A 1 ATOM 190 O O . PRO A 1 22 ? -0.132 -7.264 -11.273 1.00 78.07 22 A 1 ATOM 191 C CB . PRO A 1 22 ? -2.660 -5.576 -10.375 1.00 78.87 22 A 1 ATOM 192 C CG . PRO A 1 22 ? -2.710 -6.597 -9.232 1.00 78.39 22 A 1 ATOM 193 C CD . PRO A 1 22 ? -3.312 -7.825 -9.905 1.00 81.93 22 A 1 ATOM 194 N N . ASN A 1 23 ? -0.383 -5.650 -12.801 1.00 80.98 23 A 1 ATOM 195 C CA . ASN A 1 23 ? 1.054 -5.521 -13.045 1.00 78.61 23 A 1 ATOM 196 C C . ASN A 1 23 ? 1.775 -5.038 -11.775 1.00 78.81 23 A 1 ATOM 197 O O . ASN A 1 23 ? 1.218 -4.237 -11.018 1.00 72.15 23 A 1 ATOM 198 C CB . ASN A 1 23 ? 1.316 -4.561 -14.222 1.00 72.91 23 A 1 ATOM 199 C CG . ASN A 1 23 ? 0.666 -4.982 -15.531 1.00 67.92 23 A 1 ATOM 200 O OD1 . ASN A 1 23 ? 0.080 -6.034 -15.668 1.00 61.54 23 A 1 ATOM 201 N ND2 . ASN A 1 23 ? 0.732 -4.146 -16.546 1.00 61.52 23 A 1 ATOM 202 N N . SER A 1 24 ? 3.016 -5.487 -11.584 1.00 74.37 24 A 1 ATOM 203 C CA . SER A 1 24 ? 3.912 -4.976 -10.536 1.00 70.88 24 A 1 ATOM 204 C C . SER A 1 24 ? 4.349 -3.537 -10.799 1.00 72.70 24 A 1 ATOM 205 O O . SER A 1 24 ? 4.521 -2.747 -9.871 1.00 66.63 24 A 1 ATOM 206 C CB . SER A 1 24 ? 5.158 -5.869 -10.438 1.00 64.36 24 A 1 ATOM 207 O OG . SER A 1 24 ? 5.760 -5.991 -11.712 1.00 60.02 24 A 1 ATOM 208 N N . GLU A 1 25 ? 4.477 -3.199 -12.078 1.00 70.06 25 A 1 ATOM 209 C CA . GLU A 1 25 ? 4.894 -1.890 -12.549 1.00 67.59 25 A 1 ATOM 210 C C . GLU A 1 25 ? 3.734 -1.208 -13.269 1.00 68.76 25 A 1 ATOM 211 O O . GLU A 1 25 ? 2.955 -1.829 -13.990 1.00 61.30 25 A 1 ATOM 212 C CB . GLU A 1 25 ? 6.130 -2.027 -13.442 1.00 59.56 25 A 1 ATOM 213 C CG . GLU A 1 25 ? 7.333 -2.537 -12.630 1.00 53.15 25 A 1 ATOM 214 C CD . GLU A 1 25 ? 8.584 -2.794 -13.467 1.00 47.93 25 A 1 ATOM 215 O OE1 . GLU A 1 25 ? 9.442 -3.555 -12.961 1.00 43.29 25 A 1 ATOM 216 O OE2 . GLU A 1 25 ? 8.668 -2.247 -14.589 1.00 44.01 25 A 1 ATOM 217 N N . ASP A 1 26 ? 3.616 0.100 -13.057 1.00 61.11 26 A 1 ATOM 218 C CA . ASP A 1 26 ? 2.731 0.926 -13.866 1.00 59.54 26 A 1 ATOM 219 C C . ASP A 1 26 ? 3.600 1.621 -14.923 1.00 61.38 26 A 1 ATOM 220 O O . ASP A 1 26 ? 4.398 2.489 -14.568 1.00 56.12 26 A 1 ATOM 221 C CB . ASP A 1 26 ? 1.946 1.907 -12.977 1.00 52.97 26 A 1 ATOM 222 C CG . ASP A 1 26 ? 0.878 2.711 -13.739 1.00 47.82 26 A 1 ATOM 223 O OD1 . ASP A 1 26 ? 1.041 2.961 -14.952 1.00 45.47 26 A 1 ATOM 224 O OD2 . ASP A 1 26 ? -0.132 3.097 -13.101 1.00 44.80 26 A 1 ATOM 225 N N . PRO A 1 27 ? 3.451 1.279 -16.212 1.00 53.98 27 A 1 ATOM 226 C CA . PRO A 1 27 ? 4.294 1.830 -17.272 1.00 51.47 27 A 1 ATOM 227 C C . PRO A 1 27 ? 4.179 3.353 -17.410 1.00 53.27 27 A 1 ATOM 228 O O . PRO A 1 27 ? 5.031 3.988 -18.018 1.00 49.21 27 A 1 ATOM 229 C CB . PRO A 1 27 ? 3.847 1.102 -18.545 1.00 45.12 27 A 1 ATOM 230 C CG . PRO A 1 27 ? 2.408 0.682 -18.249 1.00 45.46 27 A 1 ATOM 231 C CD . PRO A 1 27 ? 2.455 0.376 -16.756 1.00 49.75 27 A 1 ATOM 232 N N . THR A 1 28 ? 3.124 3.952 -16.847 1.00 53.24 28 A 1 ATOM 233 C CA . THR A 1 28 ? 2.936 5.411 -16.847 1.00 52.27 28 A 1 ATOM 234 C C . THR A 1 28 ? 3.645 6.112 -15.685 1.00 53.18 28 A 1 ATOM 235 O O . THR A 1 28 ? 3.757 7.342 -15.685 1.00 49.22 28 A 1 ATOM 236 C CB . THR A 1 28 ? 1.451 5.787 -16.853 1.00 48.12 28 A 1 ATOM 237 O OG1 . THR A 1 28 ? 0.770 5.408 -15.683 1.00 44.70 28 A 1 ATOM 238 C CG2 . THR A 1 28 ? 0.702 5.181 -18.042 1.00 44.21 28 A 1 ATOM 239 N N . TYR A 1 29 ? 4.119 5.350 -14.699 1.00 55.18 29 A 1 ATOM 240 C CA . TYR A 1 29 ? 4.796 5.875 -13.520 1.00 54.58 29 A 1 ATOM 241 C C . TYR A 1 29 ? 6.180 5.236 -13.372 1.00 56.20 29 A 1 ATOM 242 O O . TYR A 1 29 ? 6.327 4.023 -13.362 1.00 52.33 29 A 1 ATOM 243 C CB . TYR A 1 29 ? 3.944 5.648 -12.266 1.00 49.31 29 A 1 ATOM 244 C CG . TYR A 1 29 ? 2.721 6.541 -12.180 1.00 46.36 29 A 1 ATOM 245 C CD1 . TYR A 1 29 ? 2.810 7.816 -11.588 1.00 43.06 29 A 1 ATOM 246 C CD2 . TYR A 1 29 ? 1.488 6.102 -12.700 1.00 41.56 29 A 1 ATOM 247 C CE1 . TYR A 1 29 ? 1.686 8.651 -11.520 1.00 37.96 29 A 1 ATOM 248 C CE2 . TYR A 1 29 ? 0.355 6.933 -12.639 1.00 38.95 29 A 1 ATOM 249 C CZ . TYR A 1 29 ? 0.461 8.207 -12.047 1.00 36.96 29 A 1 ATOM 250 O OH . TYR A 1 29 ? -0.641 9.021 -11.994 1.00 33.67 29 A 1 ATOM 251 N N . GLN A 1 30 ? 7.188 6.071 -13.152 1.00 53.89 30 A 1 ATOM 252 C CA . GLN A 1 30 ? 8.539 5.589 -12.827 1.00 54.44 30 A 1 ATOM 253 C C . GLN A 1 30 ? 8.613 4.858 -11.477 1.00 57.94 30 A 1 ATOM 254 O O . GLN A 1 30 ? 9.594 4.176 -11.191 1.00 53.40 30 A 1 ATOM 255 C CB . GLN A 1 30 ? 9.505 6.779 -12.788 1.00 47.78 30 A 1 ATOM 256 C CG . GLN A 1 30 ? 9.758 7.392 -14.173 1.00 41.40 30 A 1 ATOM 257 C CD . GLN A 1 30 ? 10.749 8.559 -14.115 1.00 35.97 30 A 1 ATOM 258 O OE1 . GLN A 1 30 ? 11.043 9.123 -13.074 1.00 32.78 30 A 1 ATOM 259 N NE2 . GLN A 1 30 ? 11.287 8.969 -15.237 1.00 32.05 30 A 1 ATOM 260 N N . ASN A 1 31 ? 7.608 5.037 -10.627 1.00 60.06 31 A 1 ATOM 261 C CA . ASN A 1 31 ? 7.569 4.394 -9.322 1.00 61.11 31 A 1 ATOM 262 C C . ASN A 1 31 ? 6.882 3.029 -9.430 1.00 65.23 31 A 1 ATOM 263 O O . ASN A 1 31 ? 5.860 2.926 -10.116 1.00 60.93 31 A 1 ATOM 264 C CB . ASN A 1 31 ? 6.850 5.304 -8.319 1.00 54.82 31 A 1 ATOM 265 C CG . ASN A 1 31 ? 7.628 6.580 -8.047 1.00 49.57 31 A 1 ATOM 266 O OD1 . ASN A 1 31 ? 8.830 6.607 -7.876 1.00 45.88 31 A 1 ATOM 267 N ND2 . ASN A 1 31 ? 6.944 7.703 -7.982 1.00 45.11 31 A 1 ATOM 268 N N . PRO A 1 32 ? 7.371 2.013 -8.703 1.00 67.02 32 A 1 ATOM 269 C CA . PRO A 1 32 ? 6.703 0.723 -8.646 1.00 67.88 32 A 1 ATOM 270 C C . PRO A 1 32 ? 5.267 0.883 -8.145 1.00 72.27 32 A 1 ATOM 271 O O . PRO A 1 32 ? 4.954 1.760 -7.322 1.00 69.11 32 A 1 ATOM 272 C CB . PRO A 1 32 ? 7.560 -0.147 -7.720 1.00 61.84 32 A 1 ATOM 273 C CG . PRO A 1 32 ? 8.278 0.871 -6.839 1.00 59.00 32 A 1 ATOM 274 C CD . PRO A 1 32 ? 8.479 2.057 -7.778 1.00 61.41 32 A 1 ATOM 275 N N . LYS A 1 33 ? 4.381 0.027 -8.643 1.00 75.68 33 A 1 ATOM 276 C CA . LYS A 1 33 ? 2.976 0.054 -8.263 1.00 78.32 33 A 1 ATOM 277 C C . LYS A 1 33 ? 2.838 -0.268 -6.781 1.00 81.87 33 A 1 ATOM 278 O O . LYS A 1 33 ? 3.242 -1.331 -6.318 1.00 79.61 33 A 1 ATOM 279 C CB . LYS A 1 33 ? 2.201 -0.912 -9.156 1.00 72.76 33 A 1 ATOM 280 C CG . LYS A 1 33 ? 0.690 -0.810 -8.942 1.00 66.73 33 A 1 ATOM 281 C CD . LYS A 1 33 ? 0.022 -1.693 -9.986 1.00 63.53 33 A 1 ATOM 282 C CE . LYS A 1 33 ? -1.495 -1.598 -9.947 1.00 56.07 33 A 1 ATOM 283 N NZ . LYS A 1 33 ? -2.055 -2.358 -11.083 1.00 50.93 33 A 1 ATOM 284 N N . ALA A 1 34 ? 2.209 0.647 -6.054 1.00 82.64 34 A 1 ATOM 285 C CA . ALA A 1 34 ? 1.943 0.438 -4.643 1.00 84.00 34 A 1 ATOM 286 C C . ALA A 1 34 ? 0.714 -0.461 -4.449 1.00 87.18 34 A 1 ATOM 287 O O . ALA A 1 34 ? -0.350 -0.240 -5.038 1.00 85.60 34 A 1 ATOM 288 C CB . ALA A 1 34 ? 1.800 1.799 -3.952 1.00 79.89 34 A 1 ATOM 289 N N . PHE A 1 35 ? 0.861 -1.432 -3.571 1.00 87.90 35 A 1 ATOM 290 C CA . PHE A 1 35 ? -0.218 -2.233 -3.021 1.00 89.03 35 A 1 ATOM 291 C C . PHE A 1 35 ? -0.482 -1.805 -1.584 1.00 89.47 35 A 1 ATOM 292 O O . PHE A 1 35 ? 0.404 -1.297 -0.896 1.00 87.06 35 A 1 ATOM 293 C CB . PHE A 1 35 ? 0.132 -3.715 -3.129 1.00 88.45 35 A 1 ATOM 294 C CG . PHE A 1 35 ? 0.166 -4.235 -4.548 1.00 88.96 35 A 1 ATOM 295 C CD1 . PHE A 1 35 ? -0.904 -4.996 -5.049 1.00 85.36 35 A 1 ATOM 296 C CD2 . PHE A 1 35 ? 1.256 -3.948 -5.391 1.00 84.78 35 A 1 ATOM 297 C CE1 . PHE A 1 35 ? -0.885 -5.470 -6.368 1.00 83.52 35 A 1 ATOM 298 C CE2 . PHE A 1 35 ? 1.278 -4.409 -6.715 1.00 83.16 35 A 1 ATOM 299 C CZ . PHE A 1 35 ? 0.206 -5.173 -7.203 1.00 85.34 35 A 1 ATOM 300 N N . ILE A 1 36 ? -1.713 -1.998 -1.122 1.00 87.71 36 A 1 ATOM 301 C CA . ILE A 1 36 ? -2.080 -1.773 0.278 1.00 88.11 36 A 1 ATOM 302 C C . ILE A 1 36 ? -2.437 -3.096 0.929 1.00 89.12 36 A 1 ATOM 303 O O . ILE A 1 36 ? -3.087 -3.948 0.318 1.00 86.60 36 A 1 ATOM 304 C CB . ILE A 1 36 ? -3.190 -0.712 0.395 1.00 85.30 36 A 1 ATOM 305 C CG1 . ILE A 1 36 ? -3.379 -0.193 1.836 1.00 75.61 36 A 1 ATOM 306 C CG2 . ILE A 1 36 ? -4.542 -1.204 -0.145 1.00 74.90 36 A 1 ATOM 307 C CD1 . ILE A 1 36 ? -2.201 0.647 2.329 1.00 69.98 36 A 1 ATOM 308 N N . GLY A 1 37 ? -2.014 -3.252 2.157 1.00 85.79 37 A 1 ATOM 309 C CA . GLY A 1 37 ? -2.369 -4.446 2.894 1.00 84.08 37 A 1 ATOM 310 C C . GLY A 1 37 ? -1.963 -4.435 4.355 1.00 85.00 37 A 1 ATOM 311 O O . GLY A 1 37 ? -1.414 -3.464 4.877 1.00 79.32 37 A 1 ATOM 312 N N . ILE A 1 38 ? -2.267 -5.514 5.016 1.00 83.60 38 A 1 ATOM 313 C CA . ILE A 1 38 ? -3.056 -6.659 4.533 1.00 83.40 38 A 1 ATOM 314 C C . ILE A 1 38 ? -4.542 -6.277 4.562 1.00 84.22 38 A 1 ATOM 315 O O . ILE A 1 38 ? -5.030 -5.850 5.596 1.00 78.72 38 A 1 ATOM 316 C CB . ILE A 1 38 ? -2.737 -7.908 5.384 1.00 78.25 38 A 1 ATOM 317 C CG1 . ILE A 1 38 ? -1.231 -8.233 5.292 1.00 74.26 38 A 1 ATOM 318 C CG2 . ILE A 1 38 ? -3.581 -9.104 4.935 1.00 74.84 38 A 1 ATOM 319 C CD1 . ILE A 1 38 ? -0.754 -9.233 6.325 1.00 68.40 38 A 1 ATOM 320 N N . VAL A 1 39 ? -5.238 -6.369 3.420 1.00 82.86 39 A 1 ATOM 321 C CA . VAL A 1 39 ? -6.666 -6.001 3.329 1.00 77.62 39 A 1 ATOM 322 C C . VAL A 1 39 ? -7.580 -7.101 3.849 1.00 79.90 39 A 1 ATOM 323 O O . VAL A 1 39 ? -8.658 -6.807 4.348 1.00 76.34 39 A 1 ATOM 324 C CB . VAL A 1 39 ? -7.105 -5.584 1.912 1.00 73.87 39 A 1 ATOM 325 C CG1 . VAL A 1 39 ? -6.357 -4.325 1.453 1.00 72.17 39 A 1 ATOM 326 C CG2 . VAL A 1 39 ? -6.921 -6.673 0.852 1.00 73.30 39 A 1 ATOM 327 N N . LEU A 1 40 ? -7.132 -8.345 3.723 1.00 82.82 40 A 1 ATOM 328 C CA . LEU A 1 40 ? -7.823 -9.526 4.207 1.00 81.93 40 A 1 ATOM 329 C C . LEU A 1 40 ? -6.789 -10.558 4.642 1.00 84.28 40 A 1 ATOM 330 O O . LEU A 1 40 ? -5.834 -10.817 3.914 1.00 80.80 40 A 1 ATOM 331 C CB . LEU A 1 40 ? -8.726 -10.054 3.077 1.00 75.95 40 A 1 ATOM 332 C CG . LEU A 1 40 ? -9.539 -11.310 3.427 1.00 73.25 40 A 1 ATOM 333 C CD1 . LEU A 1 40 ? -10.561 -11.035 4.530 1.00 70.77 40 A 1 ATOM 334 C CD2 . LEU A 1 40 ? -10.280 -11.795 2.181 1.00 69.57 40 A 1 ATOM 335 N N . GLU A 1 41 ? -7.012 -11.160 5.793 1.00 83.07 41 A 1 ATOM 336 C CA . GLU A 1 41 ? -6.292 -12.354 6.228 1.00 82.45 41 A 1 ATOM 337 C C . GLU A 1 41 ? -7.327 -13.417 6.582 1.00 81.26 41 A 1 ATOM 338 O O . GLU A 1 41 ? -8.139 -13.229 7.485 1.00 77.48 41 A 1 ATOM 339 C CB . GLU A 1 41 ? -5.344 -12.012 7.384 1.00 80.31 41 A 1 ATOM 340 C CG . GLU A 1 41 ? -4.529 -13.226 7.851 1.00 75.77 41 A 1 ATOM 341 C CD . GLU A 1 41 ? -3.332 -12.851 8.740 1.00 74.44 41 A 1 ATOM 342 O OE1 . GLU A 1 41 ? -2.482 -13.740 8.973 1.00 66.35 41 A 1 ATOM 343 O OE2 . GLU A 1 41 ? -3.200 -11.672 9.129 1.00 70.12 41 A 1 ATOM 344 N N . ILE A 1 42 ? -7.345 -14.509 5.814 1.00 84.35 42 A 1 ATOM 345 C CA . ILE A 1 42 ? -8.332 -15.573 5.967 1.00 83.87 42 A 1 ATOM 346 C C . ILE A 1 42 ? -7.723 -16.917 5.576 1.00 85.01 42 A 1 ATOM 347 O O . ILE A 1 42 ? -7.062 -17.025 4.548 1.00 81.48 42 A 1 ATOM 348 C CB . ILE A 1 42 ? -9.617 -15.239 5.177 1.00 79.30 42 A 1 ATOM 349 C CG1 . ILE A 1 42 ? -10.752 -16.210 5.553 1.00 71.84 42 A 1 ATOM 350 C CG2 . ILE A 1 42 ? -9.374 -15.199 3.655 1.00 71.97 42 A 1 ATOM 351 C CD1 . ILE A 1 42 ? -12.138 -15.729 5.118 1.00 65.26 42 A 1 ATOM 352 N N . GLN A 1 43 ? -7.946 -17.944 6.387 1.00 83.20 43 A 1 ATOM 353 C CA . GLN A 1 43 ? -7.432 -19.304 6.148 1.00 84.00 43 A 1 ATOM 354 C C . GLN A 1 43 ? -5.907 -19.353 5.888 1.00 86.24 43 A 1 ATOM 355 O O . GLN A 1 43 ? -5.415 -20.172 5.111 1.00 81.40 43 A 1 ATOM 356 C CB . GLN A 1 43 ? -8.259 -19.982 5.037 1.00 80.45 43 A 1 ATOM 357 C CG . GLN A 1 43 ? -9.738 -20.167 5.419 1.00 75.85 43 A 1 ATOM 358 C CD . GLN A 1 43 ? -10.573 -20.737 4.273 1.00 69.96 43 A 1 ATOM 359 O OE1 . GLN A 1 43 ? -10.266 -20.585 3.106 1.00 61.65 43 A 1 ATOM 360 N NE2 . GLN A 1 43 ? -11.673 -21.389 4.566 1.00 61.68 43 A 1 ATOM 361 N N . GLY A 1 44 ? -5.163 -18.448 6.511 1.00 85.53 44 A 1 ATOM 362 C CA . GLY A 1 44 ? -3.713 -18.323 6.311 1.00 85.16 44 A 1 ATOM 363 C C . GLY A 1 44 ? -3.297 -17.632 5.010 1.00 88.04 44 A 1 ATOM 364 O O . GLY A 1 44 ? -2.098 -17.509 4.751 1.00 83.76 44 A 1 ATOM 365 N N . HIS A 1 45 ? -4.246 -17.170 4.197 1.00 87.52 45 A 1 ATOM 366 C CA . HIS A 1 45 ? -3.977 -16.356 3.014 1.00 87.33 45 A 1 ATOM 367 C C . HIS A 1 45 ? -3.990 -14.878 3.394 1.00 87.81 45 A 1 ATOM 368 O O . HIS A 1 45 ? -4.963 -14.382 3.959 1.00 84.05 45 A 1 ATOM 369 C CB . HIS A 1 45 ? -5.000 -16.645 1.909 1.00 86.26 45 A 1 ATOM 370 C CG . HIS A 1 45 ? -5.171 -18.109 1.617 1.00 86.41 45 A 1 ATOM 371 N ND1 . HIS A 1 45 ? -4.215 -18.972 1.125 1.00 77.23 45 A 1 ATOM 372 C CD2 . HIS A 1 45 ? -6.306 -18.858 1.816 1.00 77.00 45 A 1 ATOM 373 C CE1 . HIS A 1 45 ? -4.767 -20.195 1.021 1.00 80.37 45 A 1 ATOM 374 N NE2 . HIS A 1 45 ? -6.038 -20.167 1.436 1.00 81.29 45 A 1 ATOM 375 N N . LYS A 1 46 ? -2.910 -14.174 3.045 1.00 89.86 46 A 1 ATOM 376 C CA . LYS A 1 46 ? -2.765 -12.733 3.256 1.00 90.04 46 A 1 ATOM 377 C C . LYS A 1 46 ? -2.929 -12.019 1.922 1.00 90.51 46 A 1 ATOM 378 O O . LYS A 1 46 ? -2.197 -12.297 0.981 1.00 88.11 46 A 1 ATOM 379 C CB . LYS A 1 46 ? -1.408 -12.431 3.900 1.00 87.99 46 A 1 ATOM 380 C CG . LYS A 1 46 ? -1.324 -12.981 5.334 1.00 85.17 46 A 1 ATOM 381 C CD . LYS A 1 46 ? 0.044 -12.695 5.961 1.00 82.85 46 A 1 ATOM 382 C CE . LYS A 1 46 ? 0.081 -13.302 7.369 1.00 75.34 46 A 1 ATOM 383 N NZ . LYS A 1 46 ? 1.388 -13.132 8.028 1.00 68.04 46 A 1 ATOM 384 N N . TYR A 1 47 ? -3.879 -11.101 1.839 1.00 89.95 47 A 1 ATOM 385 C CA . TYR A 1 47 ? -4.214 -10.389 0.611 1.00 90.70 47 A 1 ATOM 386 C C . TYR A 1 47 ? -3.661 -8.963 0.597 1.00 90.43 47 A 1 ATOM 387 O O . TYR A 1 47 ? -3.823 -8.198 1.553 1.00 87.20 47 A 1 ATOM 388 C CB . TYR A 1 47 ? -5.723 -10.407 0.409 1.00 89.86 47 A 1 ATOM 389 C CG . TYR A 1 47 ? -6.234 -11.673 -0.238 1.00 90.96 47 A 1 ATOM 390 C CD1 . TYR A 1 47 ? -6.365 -11.721 -1.636 1.00 86.15 47 A 1 ATOM 391 C CD2 . TYR A 1 47 ? -6.598 -12.802 0.536 1.00 85.26 47 A 1 ATOM 392 C CE1 . TYR A 1 47 ? -6.875 -12.862 -2.265 1.00 84.25 47 A 1 ATOM 393 C CE2 . TYR A 1 47 ? -7.105 -13.953 -0.092 1.00 84.17 47 A 1 ATOM 394 C CZ . TYR A 1 47 ? -7.248 -13.972 -1.498 1.00 87.98 47 A 1 ATOM 395 O OH . TYR A 1 47 ? -7.762 -15.064 -2.140 1.00 86.46 47 A 1 ATOM 396 N N . LEU A 1 48 ? -3.089 -8.592 -0.552 1.00 90.97 48 A 1 ATOM 397 C CA . LEU A 1 48 ? -2.792 -7.205 -0.902 1.00 90.93 48 A 1 ATOM 398 C C . LEU A 1 48 ? -3.683 -6.759 -2.060 1.00 90.94 48 A 1 ATOM 399 O O . LEU A 1 48 ? -3.987 -7.542 -2.953 1.00 89.41 48 A 1 ATOM 400 C CB . LEU A 1 48 ? -1.308 -7.032 -1.263 1.00 89.70 48 A 1 ATOM 401 C CG . LEU A 1 48 ? -0.306 -7.333 -0.138 1.00 87.71 48 A 1 ATOM 402 C CD1 . LEU A 1 48 ? 1.098 -6.973 -0.614 1.00 82.71 48 A 1 ATOM 403 C CD2 . LEU A 1 48 ? -0.574 -6.517 1.125 1.00 81.86 48 A 1 ATOM 404 N N . ALA A 1 49 ? -4.075 -5.486 -2.069 1.00 90.53 49 A 1 ATOM 405 C CA . ALA A 1 49 ? -4.865 -4.901 -3.146 1.00 89.91 49 A 1 ATOM 406 C C . ALA A 1 49 ? -4.120 -3.737 -3.815 1.00 89.97 49 A 1 ATOM 407 O O . ALA A 1 49 ? -3.515 -2.916 -3.119 1.00 88.10 49 A 1 ATOM 408 C CB . ALA A 1 49 ? -6.233 -4.474 -2.604 1.00 88.97 49 A 1 ATOM 409 N N . PRO A 1 50 ? -4.186 -3.622 -5.155 1.00 90.36 50 A 1 ATOM 410 C CA . PRO A 1 50 ? -3.528 -2.534 -5.861 1.00 89.57 50 A 1 ATOM 411 C C . PRO A 1 50 ? -4.205 -1.190 -5.582 1.00 89.22 50 A 1 ATOM 412 O O . PRO A 1 50 ? -5.437 -1.065 -5.566 1.00 87.05 50 A 1 ATOM 413 C CB . PRO A 1 50 ? -3.576 -2.920 -7.340 1.00 88.02 50 A 1 ATOM 414 C CG . PRO A 1 50 ? -4.821 -3.801 -7.436 1.00 85.95 50 A 1 ATOM 415 C CD . PRO A 1 50 ? -4.858 -4.506 -6.086 1.00 88.86 50 A 1 ATOM 416 N N . LEU A 1 51 ? -3.379 -0.164 -5.435 1.00 88.45 51 A 1 ATOM 417 C CA . LEU A 1 51 ? -3.816 1.224 -5.396 1.00 87.19 51 A 1 ATOM 418 C C . LEU A 1 51 ? -3.844 1.805 -6.806 1.00 86.46 51 A 1 ATOM 419 O O . LEU A 1 51 ? -2.917 1.625 -7.590 1.00 83.03 51 A 1 ATOM 420 C CB . LEU A 1 51 ? -2.886 2.039 -4.489 1.00 85.12 51 A 1 ATOM 421 C CG . LEU A 1 51 ? -3.072 1.726 -2.999 1.00 78.96 51 A 1 ATOM 422 C CD1 . LEU A 1 51 ? -1.921 2.330 -2.208 1.00 74.62 51 A 1 ATOM 423 C CD2 . LEU A 1 51 ? -4.374 2.326 -2.459 1.00 73.02 51 A 1 ATOM 424 N N . THR A 1 52 ? -4.899 2.544 -7.105 1.00 83.33 52 A 1 ATOM 425 C CA . THR A 1 52 ? -5.026 3.262 -8.372 1.00 80.81 52 A 1 ATOM 426 C C . THR A 1 52 ? -5.147 4.753 -8.101 1.00 79.64 52 A 1 ATOM 427 O O . THR A 1 52 ? -5.958 5.175 -7.274 1.00 73.71 52 A 1 ATOM 428 C CB . THR A 1 52 ? -6.211 2.733 -9.188 1.00 77.30 52 A 1 ATOM 429 O OG1 . THR A 1 52 ? -6.103 1.339 -9.356 1.00 66.71 52 A 1 ATOM 430 C CG2 . THR A 1 52 ? -6.241 3.314 -10.597 1.00 66.41 52 A 1 ATOM 431 N N . SER A 1 53 ? -4.369 5.553 -8.828 1.00 77.47 53 A 1 ATOM 432 C CA . SER A 1 53 ? -4.462 7.011 -8.786 1.00 74.87 53 A 1 ATOM 433 C C . SER A 1 53 ? -5.835 7.494 -9.291 1.00 73.84 53 A 1 ATOM 434 O O . SER A 1 53 ? -6.462 6.802 -10.101 1.00 69.60 53 A 1 ATOM 435 C CB . SER A 1 53 ? -3.333 7.638 -9.613 1.00 70.76 53 A 1 ATOM 436 O OG . SER A 1 53 ? -3.368 7.183 -10.949 1.00 62.56 53 A 1 ATOM 437 N N . PRO A 1 54 ? -6.329 8.666 -8.858 1.00 72.66 54 A 1 ATOM 438 C CA . PRO A 1 54 ? -7.626 9.186 -9.280 1.00 70.05 54 A 1 ATOM 439 C C . PRO A 1 54 ? -7.697 9.351 -10.786 1.00 70.91 54 A 1 ATOM 440 O O . PRO A 1 54 ? -6.841 9.969 -11.421 1.00 66.86 54 A 1 ATOM 441 C CB . PRO A 1 54 ? -7.827 10.522 -8.562 1.00 64.98 54 A 1 ATOM 442 C CG . PRO A 1 54 ? -6.895 10.416 -7.369 1.00 64.11 54 A 1 ATOM 443 C CD . PRO A 1 54 ? -5.778 9.495 -7.857 1.00 67.56 54 A 1 ATOM 444 N N . LYS A 1 55 ? -8.774 8.808 -11.364 1.00 68.46 55 A 1 ATOM 445 C CA . LYS A 1 55 ? -9.108 8.894 -12.778 1.00 68.10 55 A 1 ATOM 446 C C . LYS A 1 55 ? -10.554 9.361 -12.903 1.00 67.75 55 A 1 ATOM 447 O O . LYS A 1 55 ? -11.357 9.174 -11.987 1.00 64.17 55 A 1 ATOM 448 C CB . LYS A 1 55 ? -8.870 7.530 -13.458 1.00 64.53 55 A 1 ATOM 449 C CG . LYS A 1 55 ? -7.386 7.123 -13.453 1.00 62.58 55 A 1 ATOM 450 C CD . LYS A 1 55 ? -7.134 5.755 -14.097 1.00 59.76 55 A 1 ATOM 451 C CE . LYS A 1 55 ? -5.645 5.413 -13.961 1.00 55.71 55 A 1 ATOM 452 N NZ . LYS A 1 55 ? -5.268 4.098 -14.535 1.00 51.64 55 A 1 ATOM 453 N N . LYS A 1 56 ? -10.913 9.940 -14.062 1.00 64.43 56 A 1 ATOM 454 C CA . LYS A 1 56 ? -12.274 10.454 -14.300 1.00 62.21 56 A 1 ATOM 455 C C . LYS A 1 56 ? -13.357 9.405 -14.028 1.00 63.98 56 A 1 ATOM 456 O O . LYS A 1 56 ? -14.361 9.721 -13.399 1.00 58.59 56 A 1 ATOM 457 C CB . LYS A 1 56 ? -12.406 10.988 -15.734 1.00 56.11 56 A 1 ATOM 458 C CG . LYS A 1 56 ? -11.620 12.291 -15.962 1.00 50.07 56 A 1 ATOM 459 C CD . LYS A 1 56 ? -11.862 12.827 -17.378 1.00 43.06 56 A 1 ATOM 460 C CE . LYS A 1 56 ? -11.098 14.133 -17.611 1.00 36.05 56 A 1 ATOM 461 N NZ . LYS A 1 56 ? -11.302 14.666 -18.983 1.00 29.10 56 A 1 ATOM 462 N N . TRP A 1 57 ? -13.115 8.151 -14.428 1.00 66.38 57 A 1 ATOM 463 C CA . TRP A 1 57 ? -14.086 7.073 -14.227 1.00 64.03 57 A 1 ATOM 464 C C . TRP A 1 57 ? -14.343 6.735 -12.748 1.00 66.57 57 A 1 ATOM 465 O O . TRP A 1 57 ? -15.398 6.195 -12.429 1.00 62.02 57 A 1 ATOM 466 C CB . TRP A 1 57 ? -13.637 5.834 -15.010 1.00 58.65 57 A 1 ATOM 467 C CG . TRP A 1 57 ? -12.430 5.119 -14.471 1.00 55.70 57 A 1 ATOM 468 C CD1 . TRP A 1 57 ? -11.162 5.254 -14.918 1.00 50.68 57 A 1 ATOM 469 C CD2 . TRP A 1 57 ? -12.381 4.117 -13.407 1.00 55.12 57 A 1 ATOM 470 N NE1 . TRP A 1 57 ? -10.320 4.398 -14.203 1.00 47.54 57 A 1 ATOM 471 C CE2 . TRP A 1 57 ? -11.039 3.683 -13.276 1.00 52.91 57 A 1 ATOM 472 C CE3 . TRP A 1 57 ? -13.351 3.526 -12.576 1.00 49.15 57 A 1 ATOM 473 C CZ2 . TRP A 1 57 ? -10.656 2.688 -12.330 1.00 46.74 57 A 1 ATOM 474 C CZ3 . TRP A 1 57 ? -12.972 2.542 -11.634 1.00 45.31 57 A 1 ATOM 475 C CH2 . TRP A 1 57 ? -11.646 2.135 -11.519 1.00 43.99 57 A 1 ATOM 476 N N . HIS A 1 58 ? -13.455 7.097 -11.841 1.00 69.07 58 A 1 ATOM 477 C CA . HIS A 1 58 ? -13.671 6.869 -10.407 1.00 68.26 58 A 1 ATOM 478 C C . HIS A 1 58 ? -14.873 7.637 -9.858 1.00 69.52 58 A 1 ATOM 479 O O . HIS A 1 58 ? -15.487 7.193 -8.889 1.00 67.67 58 A 1 ATOM 480 C CB . HIS A 1 58 ? -12.417 7.252 -9.596 1.00 64.69 58 A 1 ATOM 481 C CG . HIS A 1 58 ? -11.181 6.459 -9.891 1.00 62.56 58 A 1 ATOM 482 N ND1 . HIS A 1 58 ? -9.946 6.673 -9.301 1.00 58.28 58 A 1 ATOM 483 C CD2 . HIS A 1 58 ? -11.032 5.397 -10.734 1.00 55.11 58 A 1 ATOM 484 C CE1 . HIS A 1 58 ? -9.089 5.773 -9.794 1.00 59.29 58 A 1 ATOM 485 N NE2 . HIS A 1 58 ? -9.710 4.980 -10.664 1.00 59.52 58 A 1 ATOM 486 N N . ASN A 1 59 ? -15.263 8.745 -10.489 1.00 66.11 59 A 1 ATOM 487 C CA . ASN A 1 59 ? -16.447 9.511 -10.095 1.00 64.97 59 A 1 ATOM 488 C C . ASN A 1 59 ? -17.739 8.697 -10.278 1.00 66.70 59 A 1 ATOM 489 O O . ASN A 1 59 ? -18.689 8.882 -9.527 1.00 62.46 59 A 1 ATOM 490 C CB . ASN A 1 59 ? -16.497 10.816 -10.905 1.00 60.90 59 A 1 ATOM 491 C CG . ASN A 1 59 ? -15.312 11.738 -10.633 1.00 57.56 59 A 1 ATOM 492 O OD1 . ASN A 1 59 ? -14.514 11.560 -9.730 1.00 52.43 59 A 1 ATOM 493 N ND2 . ASN A 1 59 ? -15.158 12.762 -11.449 1.00 53.09 59 A 1 ATOM 494 N N . ASN A 1 60 ? -17.747 7.755 -11.221 1.00 67.19 60 A 1 ATOM 495 C CA . ASN A 1 60 ? -18.885 6.872 -11.479 1.00 67.24 60 A 1 ATOM 496 C C . ASN A 1 60 ? -18.921 5.663 -10.528 1.00 68.90 60 A 1 ATOM 497 O O . ASN A 1 60 ? -19.915 4.942 -10.471 1.00 64.96 60 A 1 ATOM 498 C CB . ASN A 1 60 ? -18.844 6.429 -12.951 1.00 62.49 60 A 1 ATOM 499 C CG . ASN A 1 60 ? -18.912 7.595 -13.933 1.00 58.33 60 A 1 ATOM 500 O OD1 . ASN A 1 60 ? -19.274 8.710 -13.612 1.00 52.74 60 A 1 ATOM 501 N ND2 . ASN A 1 60 ? -18.549 7.361 -15.176 1.00 53.87 60 A 1 ATOM 502 N N . VAL A 1 61 ? -17.855 5.418 -9.773 1.00 67.94 61 A 1 ATOM 503 C CA . VAL A 1 61 ? -17.806 4.346 -8.778 1.00 67.82 61 A 1 ATOM 504 C C . VAL A 1 61 ? -18.556 4.795 -7.529 1.00 69.10 61 A 1 ATOM 505 O O . VAL A 1 61 ? -18.179 5.776 -6.876 1.00 66.68 61 A 1 ATOM 506 C CB . VAL A 1 61 ? -16.364 3.917 -8.455 1.00 64.16 61 A 1 ATOM 507 C CG1 . VAL A 1 61 ? -16.335 2.762 -7.451 1.00 59.38 61 A 1 ATOM 508 C CG2 . VAL A 1 61 ? -15.637 3.449 -9.724 1.00 62.15 61 A 1 ATOM 509 N N . LYS A 1 62 ? -19.617 4.051 -7.184 1.00 65.03 62 A 1 ATOM 510 C CA . LYS A 1 62 ? -20.368 4.266 -5.945 1.00 65.95 62 A 1 ATOM 511 C C . LYS A 1 62 ? -19.516 3.860 -4.738 1.00 68.35 62 A 1 ATOM 512 O O . LYS A 1 62 ? -18.804 2.863 -4.785 1.00 64.09 62 A 1 ATOM 513 C CB . LYS A 1 62 ? -21.697 3.489 -5.973 1.00 59.38 62 A 1 ATOM 514 C CG . LYS A 1 62 ? -22.652 3.977 -7.081 1.00 54.49 62 A 1 ATOM 515 C CD . LYS A 1 62 ? -23.992 3.230 -7.020 1.00 49.05 62 A 1 ATOM 516 C CE . LYS A 1 62 ? -24.939 3.717 -8.123 1.00 43.37 62 A 1 ATOM 517 N NZ . LYS A 1 62 ? -26.261 3.036 -8.083 1.00 38.48 62 A 1 ATOM 518 N N . GLU A 1 63 ? -19.660 4.579 -3.633 1.00 62.31 63 A 1 ATOM 519 C CA . GLU A 1 63 ? -18.971 4.228 -2.380 1.00 61.84 63 A 1 ATOM 520 C C . GLU A 1 63 ? -19.426 2.882 -1.798 1.00 64.52 63 A 1 ATOM 521 O O . GLU A 1 63 ? -18.660 2.199 -1.117 1.00 59.12 63 A 1 ATOM 522 C CB . GLU A 1 63 ? -19.198 5.310 -1.330 1.00 57.37 63 A 1 ATOM 523 C CG . GLU A 1 63 ? -18.520 6.629 -1.709 1.00 53.78 63 A 1 ATOM 524 C CD . GLU A 1 63 ? -18.457 7.603 -0.533 1.00 48.64 63 A 1 ATOM 525 O OE1 . GLU A 1 63 ? -17.617 8.523 -0.627 1.00 45.63 63 A 1 ATOM 526 O OE2 . GLU A 1 63 ? -19.208 7.385 0.443 1.00 47.37 63 A 1 ATOM 527 N N . SER A 1 64 ? -20.666 2.487 -2.103 1.00 56.36 64 A 1 ATOM 528 C CA . SER A 1 64 ? -21.216 1.184 -1.723 1.00 54.37 64 A 1 ATOM 529 C C . SER A 1 64 ? -20.615 0.009 -2.503 1.00 58.39 64 A 1 ATOM 530 O O . SER A 1 64 ? -20.777 -1.133 -2.083 1.00 54.10 64 A 1 ATOM 531 C CB . SER A 1 64 ? -22.738 1.197 -1.897 1.00 48.52 64 A 1 ATOM 532 O OG . SER A 1 64 ? -23.084 1.530 -3.226 1.00 45.46 64 A 1 ATOM 533 N N . SER A 1 65 ? -19.917 0.259 -3.610 1.00 68.16 65 A 1 ATOM 534 C CA . SER A 1 65 ? -19.290 -0.794 -4.409 1.00 68.36 65 A 1 ATOM 535 C C . SER A 1 65 ? -18.383 -1.666 -3.537 1.00 71.69 65 A 1 ATOM 536 O O . SER A 1 65 ? -17.545 -1.150 -2.797 1.00 67.59 65 A 1 ATOM 537 C CB . SER A 1 65 ? -18.477 -0.196 -5.561 1.00 63.12 65 A 1 ATOM 538 O OG . SER A 1 65 ? -17.893 -1.239 -6.325 1.00 56.43 65 A 1 ATOM 539 N N . LEU A 1 66 ? -18.545 -2.984 -3.654 1.00 71.65 66 A 1 ATOM 540 C CA . LEU A 1 66 ? -17.659 -3.954 -3.000 1.00 71.41 66 A 1 ATOM 541 C C . LEU A 1 66 ? -16.334 -4.112 -3.747 1.00 77.15 66 A 1 ATOM 542 O O . LEU A 1 66 ? -15.321 -4.458 -3.157 1.00 70.81 66 A 1 ATOM 543 C CB . LEU A 1 66 ? -18.385 -5.307 -2.896 1.00 62.23 66 A 1 ATOM 544 C CG . LEU A 1 66 ? -19.606 -5.296 -1.954 1.00 58.84 66 A 1 ATOM 545 C CD1 . LEU A 1 66 ? -20.336 -6.629 -2.049 1.00 55.07 66 A 1 ATOM 546 C CD2 . LEU A 1 66 ? -19.200 -5.062 -0.497 1.00 55.86 66 A 1 ATOM 547 N N . SER A 1 67 ? -16.347 -3.792 -5.041 1.00 76.21 67 A 1 ATOM 548 C CA . SER A 1 67 ? -15.205 -3.980 -5.936 1.00 76.92 67 A 1 ATOM 549 C C . SER A 1 67 ? -14.040 -3.046 -5.653 1.00 81.52 67 A 1 ATOM 550 O O . SER A 1 67 ? -12.899 -3.352 -5.970 1.00 76.95 67 A 1 ATOM 551 C CB . SER A 1 67 ? -15.664 -3.702 -7.362 1.00 71.00 67 A 1 ATOM 552 O OG . SER A 1 67 ? -16.824 -4.443 -7.680 1.00 64.45 67 A 1 ATOM 553 N N . CYS A 1 68 ? -14.343 -1.868 -5.145 1.00 82.27 68 A 1 ATOM 554 C CA . CYS A 1 68 ? -13.370 -0.814 -4.929 1.00 83.47 68 A 1 ATOM 555 C C . CYS A 1 68 ? -13.646 -0.112 -3.604 1.00 85.48 68 A 1 ATOM 556 O O . CYS A 1 68 ? -14.796 0.071 -3.205 1.00 82.49 68 A 1 ATOM 557 C CB . CYS A 1 68 ? -13.423 0.195 -6.089 1.00 78.62 68 A 1 ATOM 558 S SG . CYS A 1 68 ? -13.083 -0.586 -7.701 1.00 69.98 68 A 1 ATOM 559 N N . PHE A 1 69 ? -12.587 0.359 -2.971 1.00 84.52 69 A 1 ATOM 560 C CA . PHE A 1 69 ? -12.690 1.256 -1.826 1.00 86.14 69 A 1 ATOM 561 C C . PHE A 1 69 ? -12.144 2.623 -2.219 1.00 86.97 69 A 1 ATOM 562 O O . PHE A 1 69 ? -10.945 2.776 -2.439 1.00 84.43 69 A 1 ATOM 563 C CB . PHE A 1 69 ? -11.983 0.636 -0.623 1.00 84.94 69 A 1 ATOM 564 C CG . PHE A 1 69 ? -12.362 1.316 0.670 1.00 85.25 69 A 1 ATOM 565 C CD1 . PHE A 1 69 ? -11.646 2.430 1.135 1.00 81.99 69 A 1 ATOM 566 C CD2 . PHE A 1 69 ? -13.478 0.855 1.393 1.00 81.20 69 A 1 ATOM 567 C CE1 . PHE A 1 69 ? -12.040 3.085 2.315 1.00 79.33 69 A 1 ATOM 568 C CE2 . PHE A 1 69 ? -13.875 1.501 2.574 1.00 78.65 69 A 1 ATOM 569 C CZ . PHE A 1 69 ? -13.157 2.618 3.033 1.00 80.00 69 A 1 ATOM 570 N N . LYS A 1 70 ? -13.029 3.614 -2.369 1.00 84.38 70 A 1 ATOM 571 C CA . LYS A 1 70 ? -12.632 4.974 -2.750 1.00 84.91 70 A 1 ATOM 572 C C . LYS A 1 70 ? -11.834 5.620 -1.620 1.00 86.41 70 A 1 ATOM 573 O O . LYS A 1 70 ? -12.213 5.511 -0.454 1.00 84.35 70 A 1 ATOM 574 C CB . LYS A 1 70 ? -13.855 5.828 -3.118 1.00 81.64 70 A 1 ATOM 575 C CG . LYS A 1 70 ? -14.559 5.321 -4.395 1.00 76.38 70 A 1 ATOM 576 C CD . LYS A 1 70 ? -15.759 6.188 -4.794 1.00 74.21 70 A 1 ATOM 577 C CE . LYS A 1 70 ? -15.324 7.564 -5.324 1.00 66.89 70 A 1 ATOM 578 N NZ . LYS A 1 70 ? -16.478 8.351 -5.825 1.00 60.78 70 A 1 ATOM 579 N N . LEU A 1 71 ? -10.764 6.298 -1.996 1.00 84.97 71 A 1 ATOM 580 C CA . LEU A 1 71 ? -9.928 7.051 -1.073 1.00 84.75 71 A 1 ATOM 581 C C . LEU A 1 71 ? -10.159 8.541 -1.278 1.00 83.62 71 A 1 ATOM 582 O O . LEU A 1 71 ? -10.100 9.034 -2.402 1.00 79.96 71 A 1 ATOM 583 C CB . LEU A 1 71 ? -8.446 6.703 -1.270 1.00 84.41 71 A 1 ATOM 584 C CG . LEU A 1 71 ? -8.094 5.211 -1.166 1.00 84.75 71 A 1 ATOM 585 C CD1 . LEU A 1 71 ? -6.594 5.035 -1.376 1.00 82.17 71 A 1 ATOM 586 C CD2 . LEU A 1 71 ? -8.479 4.628 0.194 1.00 82.70 71 A 1 ATOM 587 N N . HIS A 1 72 ? -10.375 9.238 -0.186 1.00 85.03 72 A 1 ATOM 588 C CA . HIS A 1 72 ? -10.396 10.691 -0.145 1.00 84.16 72 A 1 ATOM 589 C C . HIS A 1 72 ? -9.604 11.196 1.061 1.00 84.85 72 A 1 ATOM 590 O O . HIS A 1 72 ? -9.180 10.412 1.921 1.00 82.41 72 A 1 ATOM 591 C CB . HIS A 1 72 ? -11.848 11.187 -0.172 1.00 80.85 72 A 1 ATOM 592 C CG . HIS A 1 72 ? -12.655 10.797 1.033 1.00 77.59 72 A 1 ATOM 593 N ND1 . HIS A 1 72 ? -12.655 11.435 2.250 1.00 68.47 72 A 1 ATOM 594 C CD2 . HIS A 1 72 ? -13.568 9.773 1.125 1.00 68.05 72 A 1 ATOM 595 C CE1 . HIS A 1 72 ? -13.545 10.828 3.046 1.00 68.27 72 A 1 ATOM 596 N NE2 . HIS A 1 72 ? -14.120 9.803 2.399 1.00 70.70 72 A 1 ATOM 597 N N . GLU A 1 73 ? -9.356 12.487 1.111 1.00 83.19 73 A 1 ATOM 598 C CA . GLU A 1 73 ? -8.738 13.084 2.288 1.00 82.23 73 A 1 ATOM 599 C C . GLU A 1 73 ? -9.644 12.911 3.514 1.00 82.23 73 A 1 ATOM 600 O O . GLU A 1 73 ? -10.853 13.132 3.456 1.00 77.83 73 A 1 ATOM 601 C CB . GLU A 1 73 ? -8.388 14.549 2.003 1.00 79.15 73 A 1 ATOM 602 C CG . GLU A 1 73 ? -7.706 15.239 3.195 1.00 75.94 73 A 1 ATOM 603 C CD . GLU A 1 73 ? -6.916 16.496 2.809 1.00 74.15 73 A 1 ATOM 604 O OE1 . GLU A 1 73 ? -6.061 16.933 3.614 1.00 69.08 73 A 1 ATOM 605 O OE2 . GLU A 1 73 ? -7.000 16.983 1.667 1.00 71.43 73 A 1 ATOM 606 N N . ASN A 1 74 ? -9.062 12.523 4.631 1.00 82.24 74 A 1 ATOM 607 C CA . ASN A 1 74 ? -9.818 12.321 5.858 1.00 81.15 74 A 1 ATOM 608 C C . ASN A 1 74 ? -10.506 13.625 6.287 1.00 81.08 74 A 1 ATOM 609 O O . ASN A 1 74 ? -9.839 14.636 6.508 1.00 74.87 74 A 1 ATOM 610 C CB . ASN A 1 74 ? -8.874 11.770 6.940 1.00 78.31 74 A 1 ATOM 611 C CG . ASN A 1 74 ? -9.642 11.294 8.161 1.00 74.92 74 A 1 ATOM 612 O OD1 . ASN A 1 74 ? -10.803 10.951 8.096 1.00 66.06 74 A 1 ATOM 613 N ND2 . ASN A 1 74 ? -8.996 11.234 9.306 1.00 67.60 74 A 1 ATOM 614 N N . GLY A 1 75 ? -11.838 13.597 6.370 1.00 78.80 75 A 1 ATOM 615 C CA . GLY A 1 75 ? -12.664 14.774 6.652 1.00 76.80 75 A 1 ATOM 616 C C . GLY A 1 75 ? -12.879 15.735 5.476 1.00 78.92 75 A 1 ATOM 617 O O . GLY A 1 75 ? -13.565 16.737 5.650 1.00 74.47 75 A 1 ATOM 618 N N . VAL A 1 76 ? -12.329 15.441 4.285 1.00 79.55 76 A 1 ATOM 619 C CA . VAL A 1 76 ? -12.482 16.272 3.076 1.00 79.22 76 A 1 ATOM 620 C C . VAL A 1 76 ? -12.856 15.382 1.882 1.00 80.07 76 A 1 ATOM 621 O O . VAL A 1 76 ? -12.004 15.068 1.048 1.00 75.60 76 A 1 ATOM 622 C CB . VAL A 1 76 ? -11.223 17.121 2.795 1.00 75.20 76 A 1 ATOM 623 C CG1 . VAL A 1 76 ? -11.505 18.153 1.702 1.00 70.27 76 A 1 ATOM 624 C CG2 . VAL A 1 76 ? -10.746 17.882 4.039 1.00 72.20 76 A 1 ATOM 625 N N . PRO A 1 77 ? -14.129 14.940 1.775 1.00 77.75 77 A 1 ATOM 626 C CA . PRO A 1 77 ? -14.549 13.952 0.774 1.00 76.59 77 A 1 ATOM 627 C C . PRO A 1 77 ? -14.392 14.423 -0.675 1.00 77.74 77 A 1 ATOM 628 O O . PRO A 1 77 ? -14.225 13.602 -1.580 1.00 73.81 77 A 1 ATOM 629 C CB . PRO A 1 77 ? -16.008 13.633 1.121 1.00 73.47 77 A 1 ATOM 630 C CG . PRO A 1 77 ? -16.494 14.865 1.877 1.00 72.49 77 A 1 ATOM 631 C CD . PRO A 1 77 ? -15.242 15.314 2.623 1.00 75.77 77 A 1 ATOM 632 N N . GLU A 1 78 ? -14.373 15.731 -0.916 1.00 77.27 78 A 1 ATOM 633 C CA . GLU A 1 78 ? -14.173 16.320 -2.242 1.00 76.18 78 A 1 ATOM 634 C C . GLU A 1 78 ? -12.752 16.092 -2.773 1.00 77.10 78 A 1 ATOM 635 O O . GLU A 1 78 ? -12.529 16.056 -3.989 1.00 73.31 78 A 1 ATOM 636 C CB . GLU A 1 78 ? -14.453 17.834 -2.218 1.00 72.95 78 A 1 ATOM 637 C CG . GLU A 1 78 ? -15.836 18.244 -1.675 1.00 65.22 78 A 1 ATOM 638 C CD . GLU A 1 78 ? -15.967 18.136 -0.153 1.00 57.01 78 A 1 ATOM 639 O OE1 . GLU A 1 78 ? -17.117 18.116 0.328 1.00 50.75 78 A 1 ATOM 640 O OE2 . GLU A 1 78 ? -14.919 18.037 0.532 1.00 52.72 78 A 1 ATOM 641 N N . ASN A 1 79 ? -11.779 15.928 -1.894 1.00 79.78 79 A 1 ATOM 642 C CA . ASN A 1 79 ? -10.396 15.685 -2.270 1.00 79.71 79 A 1 ATOM 643 C C . ASN A 1 79 ? -10.147 14.187 -2.479 1.00 81.17 79 A 1 ATOM 644 O O . ASN A 1 79 ? -9.686 13.483 -1.580 1.00 78.53 79 A 1 ATOM 645 C CB . ASN A 1 79 ? -9.454 16.326 -1.246 1.00 76.19 79 A 1 ATOM 646 C CG . ASN A 1 79 ? -8.007 16.259 -1.712 1.00 70.31 79 A 1 ATOM 647 O OD1 . ASN A 1 79 ? -7.700 16.155 -2.892 1.00 65.59 79 A 1 ATOM 648 N ND2 . ASN A 1 79 ? -7.069 16.345 -0.800 1.00 64.90 79 A 1 ATOM 649 N N . GLN A 1 80 ? -10.443 13.708 -3.686 1.00 81.95 80 A 1 ATOM 650 C CA . GLN A 1 80 ? -10.245 12.309 -4.056 1.00 81.15 80 A 1 ATOM 651 C C . GLN A 1 80 ? -8.749 11.962 -4.133 1.00 81.88 80 A 1 ATOM 652 O O . GLN A 1 80 ? -7.971 12.652 -4.794 1.00 79.18 80 A 1 ATOM 653 C CB . GLN A 1 80 ? -10.951 12.012 -5.386 1.00 78.29 80 A 1 ATOM 654 C CG . GLN A 1 80 ? -12.475 12.216 -5.321 1.00 71.51 80 A 1 ATOM 655 C CD . GLN A 1 80 ? -13.171 11.186 -4.429 1.00 65.49 80 A 1 ATOM 656 O OE1 . GLN A 1 80 ? -13.002 9.985 -4.578 1.00 58.57 80 A 1 ATOM 657 N NE2 . GLN A 1 80 ? -13.996 11.618 -3.501 1.00 56.42 80 A 1 ATOM 658 N N . LEU A 1 81 ? -8.365 10.851 -3.508 1.00 84.28 81 A 1 ATOM 659 C CA . LEU A 1 81 ? -6.987 10.350 -3.436 1.00 83.68 81 A 1 ATOM 660 C C . LEU A 1 81 ? -6.781 9.044 -4.214 1.00 83.43 81 A 1 ATOM 661 O O . LEU A 1 81 ? -5.728 8.419 -4.115 1.00 78.45 81 A 1 ATOM 662 C CB . LEU A 1 81 ? -6.575 10.196 -1.965 1.00 82.09 81 A 1 ATOM 663 C CG . LEU A 1 81 ? -6.564 11.495 -1.141 1.00 81.14 81 A 1 ATOM 664 C CD1 . LEU A 1 81 ? -6.205 11.158 0.307 1.00 78.78 81 A 1 ATOM 665 C CD2 . LEU A 1 81 ? -5.538 12.505 -1.665 1.00 78.95 81 A 1 ATOM 666 N N . GLY A 1 82 ? -7.769 8.627 -4.995 1.00 83.74 82 A 1 ATOM 667 C CA . GLY A 1 82 ? -7.738 7.385 -5.761 1.00 83.56 82 A 1 ATOM 668 C C . GLY A 1 82 ? -8.677 6.328 -5.200 1.00 85.29 82 A 1 ATOM 669 O O . GLY A 1 82 ? -9.696 6.646 -4.586 1.00 82.64 82 A 1 ATOM 670 N N . LEU A 1 83 ? -8.365 5.069 -5.463 1.00 86.30 83 A 1 ATOM 671 C CA . LEU A 1 83 ? -9.113 3.938 -4.933 1.00 86.86 83 A 1 ATOM 672 C C . LEU A 1 83 ? -8.223 2.709 -4.728 1.00 88.32 83 A 1 ATOM 673 O O . LEU A 1 83 ? -7.196 2.545 -5.385 1.00 86.90 83 A 1 ATOM 674 C CB . LEU A 1 83 ? -10.353 3.664 -5.808 1.00 83.43 83 A 1 ATOM 675 C CG . LEU A 1 83 ? -10.091 3.241 -7.274 1.00 78.27 83 A 1 ATOM 676 C CD1 . LEU A 1 83 ? -9.719 1.771 -7.437 1.00 73.22 83 A 1 ATOM 677 C CD2 . LEU A 1 83 ? -11.379 3.451 -8.077 1.00 72.06 83 A 1 ATOM 678 N N . ILE A 1 84 ? -8.662 1.839 -3.829 1.00 86.40 84 A 1 ATOM 679 C CA . ILE A 1 84 ? -8.154 0.478 -3.674 1.00 87.37 84 A 1 ATOM 680 C C . ILE A 1 84 ? -9.006 -0.422 -4.564 1.00 87.82 84 A 1 ATOM 681 O O . ILE A 1 84 ? -10.225 -0.484 -4.395 1.00 85.66 84 A 1 ATOM 682 C CB . ILE A 1 84 ? -8.229 0.023 -2.207 1.00 87.38 84 A 1 ATOM 683 C CG1 . ILE A 1 84 ? -7.555 1.031 -1.249 1.00 84.95 84 A 1 ATOM 684 C CG2 . ILE A 1 84 ? -7.596 -1.369 -2.074 1.00 83.87 84 A 1 ATOM 685 C CD1 . ILE A 1 84 ? -7.752 0.700 0.228 1.00 82.13 84 A 1 ATOM 686 N N . ASN A 1 85 ? -8.377 -1.114 -5.509 1.00 87.99 85 A 1 ATOM 687 C CA . ASN A 1 85 ? -9.088 -2.007 -6.416 1.00 88.04 85 A 1 ATOM 688 C C . ASN A 1 85 ? -9.173 -3.419 -5.821 1.00 89.09 85 A 1 ATOM 689 O O . ASN A 1 85 ? -8.383 -4.293 -6.162 1.00 86.93 85 A 1 ATOM 690 C CB . ASN A 1 85 ? -8.439 -1.934 -7.804 1.00 85.43 85 A 1 ATOM 691 C CG . ASN A 1 85 ? -9.377 -2.451 -8.880 1.00 79.24 85 A 1 ATOM 692 O OD1 . ASN A 1 85 ? -10.465 -2.943 -8.628 1.00 70.67 85 A 1 ATOM 693 N ND2 . ASN A 1 85 ? -9.007 -2.276 -10.129 1.00 70.56 85 A 1 ATOM 694 N N . LEU A 1 86 ? -10.128 -3.638 -4.940 1.00 86.55 86 A 1 ATOM 695 C CA . LEU A 1 86 ? -10.302 -4.910 -4.233 1.00 87.15 86 A 1 ATOM 696 C C . LEU A 1 86 ? -10.601 -6.083 -5.178 1.00 88.19 86 A 1 ATOM 697 O O . LEU A 1 86 ? -10.254 -7.211 -4.857 1.00 86.02 86 A 1 ATOM 698 C CB . LEU A 1 86 ? -11.416 -4.778 -3.183 1.00 85.99 86 A 1 ATOM 699 C CG . LEU A 1 86 ? -11.159 -3.747 -2.069 1.00 84.03 86 A 1 ATOM 700 C CD1 . LEU A 1 86 ? -12.373 -3.686 -1.146 1.00 80.61 86 A 1 ATOM 701 C CD2 . LEU A 1 86 ? -9.932 -4.099 -1.229 1.00 79.94 86 A 1 ATOM 702 N N . LYS A 1 87 ? -11.155 -5.824 -6.368 1.00 88.77 87 A 1 ATOM 703 C CA . LYS A 1 87 ? -11.372 -6.855 -7.403 1.00 88.83 87 A 1 ATOM 704 C C . LYS A 1 87 ? -10.098 -7.589 -7.798 1.00 89.98 87 A 1 ATOM 705 O O . LYS A 1 87 ? -10.165 -8.744 -8.193 1.00 87.16 87 A 1 ATOM 706 C CB . LYS A 1 87 ? -11.943 -6.226 -8.678 1.00 85.50 87 A 1 ATOM 707 C CG . LYS A 1 87 ? -13.411 -5.850 -8.552 1.00 78.10 87 A 1 ATOM 708 C CD . LYS A 1 87 ? -13.971 -5.536 -9.935 1.00 72.96 87 A 1 ATOM 709 C CE . LYS A 1 87 ? -15.488 -5.520 -9.885 1.00 63.94 87 A 1 ATOM 710 N NZ . LYS A 1 87 ? -16.097 -5.612 -11.217 1.00 58.20 87 A 1 ATOM 711 N N . PHE A 1 88 ? -8.975 -6.901 -7.740 1.00 88.77 88 A 1 ATOM 712 C CA . PHE A 1 88 ? -7.676 -7.412 -8.139 1.00 88.97 88 A 1 ATOM 713 C C . PHE A 1 88 ? -6.745 -7.579 -6.938 1.00 89.67 88 A 1 ATOM 714 O O . PHE A 1 88 ? -5.532 -7.460 -7.079 1.00 86.97 88 A 1 ATOM 715 C CB . PHE A 1 88 ? -7.089 -6.506 -9.230 1.00 87.35 88 A 1 ATOM 716 C CG . PHE A 1 88 ? -7.983 -6.228 -10.425 1.00 85.45 88 A 1 ATOM 717 C CD1 . PHE A 1 88 ? -8.777 -7.240 -10.996 1.00 81.43 88 A 1 ATOM 718 C CD2 . PHE A 1 88 ? -8.011 -4.939 -10.991 1.00 81.58 88 A 1 ATOM 719 C CE1 . PHE A 1 88 ? -9.589 -6.969 -12.111 1.00 79.73 88 A 1 ATOM 720 C CE2 . PHE A 1 88 ? -8.812 -4.665 -12.107 1.00 79.19 88 A 1 ATOM 721 C CZ . PHE A 1 88 ? -9.607 -5.679 -12.666 1.00 80.08 88 A 1 ATOM 722 N N . MET A 1 89 ? -7.301 -7.809 -5.748 1.00 89.84 89 A 1 ATOM 723 C CA . MET A 1 89 ? -6.501 -8.233 -4.613 1.00 90.26 89 A 1 ATOM 724 C C . MET A 1 89 ? -5.959 -9.637 -4.877 1.00 90.81 89 A 1 ATOM 725 O O . MET A 1 89 ? -6.626 -10.457 -5.511 1.00 89.59 89 A 1 ATOM 726 C CB . MET A 1 89 ? -7.284 -8.118 -3.296 1.00 88.71 89 A 1 ATOM 727 C CG . MET A 1 89 ? -8.370 -9.180 -3.117 1.00 85.95 89 A 1 ATOM 728 S SD . MET A 1 89 ? -9.392 -8.930 -1.638 1.00 86.67 89 A 1 ATOM 729 C CE . MET A 1 89 ? -10.373 -10.444 -1.665 1.00 77.22 89 A 1 ATOM 730 N N . ILE A 1 90 ? -4.750 -9.892 -4.410 1.00 90.73 90 A 1 ATOM 731 C CA . ILE A 1 90 ? -4.057 -11.159 -4.636 1.00 90.25 90 A 1 ATOM 732 C C . ILE A 1 90 ? -3.492 -11.699 -3.322 1.00 90.91 90 A 1 ATOM 733 O O . ILE A 1 90 ? -3.068 -10.900 -2.475 1.00 89.18 90 A 1 ATOM 734 C CB . ILE A 1 90 ? -2.962 -11.018 -5.719 1.00 88.24 90 A 1 ATOM 735 C CG1 . ILE A 1 90 ? -1.903 -9.952 -5.362 1.00 81.69 90 A 1 ATOM 736 C CG2 . ILE A 1 90 ? -3.623 -10.719 -7.080 1.00 78.29 90 A 1 ATOM 737 C CD1 . ILE A 1 90 ? -0.751 -9.867 -6.368 1.00 77.99 90 A 1 ATOM 738 N N . PRO A 1 91 ? -3.477 -13.031 -3.132 1.00 92.00 91 A 1 ATOM 739 C CA . PRO A 1 91 ? -2.750 -13.637 -2.028 1.00 91.83 91 A 1 ATOM 740 C C . PRO A 1 91 ? -1.247 -13.452 -2.245 1.00 91.52 91 A 1 ATOM 741 O O . PRO A 1 91 ? -0.769 -13.458 -3.381 1.00 89.12 91 A 1 ATOM 742 C CB . PRO A 1 91 ? -3.170 -15.106 -2.025 1.00 91.02 91 A 1 ATOM 743 C CG . PRO A 1 91 ? -3.448 -15.388 -3.500 1.00 89.26 91 A 1 ATOM 744 C CD . PRO A 1 91 ? -4.000 -14.064 -4.017 1.00 91.61 91 A 1 ATOM 745 N N . ILE A 1 92 ? -0.502 -13.270 -1.169 1.00 91.58 92 A 1 ATOM 746 C CA . ILE A 1 92 ? 0.932 -12.982 -1.231 1.00 90.49 92 A 1 ATOM 747 C C . ILE A 1 92 ? 1.759 -13.939 -0.377 1.00 91.01 92 A 1 ATOM 748 O O . ILE A 1 92 ? 1.280 -14.472 0.628 1.00 89.31 92 A 1 ATOM 749 C CB . ILE A 1 92 ? 1.223 -11.500 -0.923 1.00 87.71 92 A 1 ATOM 750 C CG1 . ILE A 1 92 ? 0.776 -11.021 0.483 1.00 78.27 92 A 1 ATOM 751 C CG2 . ILE A 1 92 ? 0.587 -10.603 -2.006 1.00 72.33 92 A 1 ATOM 752 C CD1 . ILE A 1 92 ? 1.776 -11.282 1.612 1.00 71.43 92 A 1 ATOM 753 N N . ILE A 1 93 ? 3.007 -14.117 -0.792 1.00 90.35 93 A 1 ATOM 754 C CA . ILE A 1 93 ? 4.061 -14.750 -0.001 1.00 89.39 93 A 1 ATOM 755 C C . ILE A 1 93 ? 4.918 -13.625 0.584 1.00 89.56 93 A 1 ATOM 756 O O . ILE A 1 93 ? 5.311 -12.710 -0.131 1.00 86.60 93 A 1 ATOM 757 C CB . ILE A 1 93 ? 4.886 -15.722 -0.871 1.00 86.10 93 A 1 ATOM 758 C CG1 . ILE A 1 93 ? 3.991 -16.841 -1.452 1.00 75.55 93 A 1 ATOM 759 C CG2 . ILE A 1 93 ? 6.032 -16.334 -0.044 1.00 72.17 93 A 1 ATOM 760 C CD1 . ILE A 1 93 ? 4.689 -17.676 -2.526 1.00 70.84 93 A 1 ATOM 761 N N . GLU A 1 94 ? 5.200 -13.675 1.879 1.00 89.47 94 A 1 ATOM 762 C CA . GLU A 1 94 ? 5.933 -12.599 2.563 1.00 88.05 94 A 1 ATOM 763 C C . GLU A 1 94 ? 7.332 -12.355 1.974 1.00 88.66 94 A 1 ATOM 764 O O . GLU A 1 94 ? 7.767 -11.209 1.905 1.00 85.47 94 A 1 ATOM 765 C CB . GLU A 1 94 ? 6.034 -12.896 4.064 1.00 85.05 94 A 1 ATOM 766 C CG . GLU A 1 94 ? 4.664 -12.807 4.757 1.00 75.92 94 A 1 ATOM 767 C CD . GLU A 1 94 ? 4.715 -12.972 6.280 1.00 68.53 94 A 1 ATOM 768 O OE1 . GLU A 1 94 ? 3.648 -12.749 6.910 1.00 60.98 94 A 1 ATOM 769 O OE2 . GLU A 1 94 ? 5.778 -13.310 6.837 1.00 62.43 94 A 1 ATOM 770 N N . ALA A 1 95 ? 8.002 -13.402 1.506 1.00 88.50 95 A 1 ATOM 771 C CA . ALA A 1 95 ? 9.324 -13.308 0.884 1.00 88.02 95 A 1 ATOM 772 C C . ALA A 1 95 ? 9.333 -12.483 -0.421 1.00 88.48 95 A 1 ATOM 773 O O . ALA A 1 95 ? 10.338 -11.855 -0.746 1.00 85.29 95 A 1 ATOM 774 C CB . ALA A 1 95 ? 9.828 -14.732 0.638 1.00 86.64 95 A 1 ATOM 775 N N . GLU A 1 96 ? 8.209 -12.436 -1.131 1.00 89.36 96 A 1 ATOM 776 C CA . GLU A 1 96 ? 8.056 -11.740 -2.418 1.00 88.91 96 A 1 ATOM 777 C C . GLU A 1 96 ? 7.479 -10.328 -2.274 1.00 89.90 96 A 1 ATOM 778 O O . GLU A 1 96 ? 7.174 -9.647 -3.258 1.00 87.18 96 A 1 ATOM 779 C CB . GLU A 1 96 ? 7.198 -12.601 -3.352 1.00 86.98 96 A 1 ATOM 780 C CG . GLU A 1 96 ? 7.866 -13.937 -3.712 1.00 82.51 96 A 1 ATOM 781 C CD . GLU A 1 96 ? 9.241 -13.727 -4.363 1.00 83.82 96 A 1 ATOM 782 O OE1 . GLU A 1 96 ? 10.188 -14.442 -3.983 1.00 74.41 96 A 1 ATOM 783 O OE2 . GLU A 1 96 ? 9.356 -12.807 -5.216 1.00 78.08 96 A 1 ATOM 784 N N . VAL A 1 97 ? 7.309 -9.870 -1.042 1.00 88.86 97 A 1 ATOM 785 C CA . VAL A 1 97 ? 6.681 -8.591 -0.724 1.00 88.41 97 A 1 ATOM 786 C C . VAL A 1 97 ? 7.630 -7.728 0.089 1.00 88.40 97 A 1 ATOM 787 O O . VAL A 1 97 ? 8.133 -8.119 1.136 1.00 85.76 97 A 1 ATOM 788 C CB . VAL A 1 97 ? 5.348 -8.801 0.010 1.00 86.40 97 A 1 ATOM 789 C CG1 . VAL A 1 97 ? 4.685 -7.473 0.373 1.00 78.26 97 A 1 ATOM 790 C CG2 . VAL A 1 97 ? 4.367 -9.569 -0.882 1.00 79.48 97 A 1 ATOM 791 N N . SER A 1 98 ? 7.801 -6.490 -0.360 1.00 89.48 98 A 1 ATOM 792 C CA . SER A 1 98 ? 8.623 -5.499 0.325 1.00 87.99 98 A 1 ATOM 793 C C . SER A 1 98 ? 7.773 -4.342 0.838 1.00 88.37 98 A 1 ATOM 794 O O . SER A 1 98 ? 6.859 -3.871 0.163 1.00 85.71 98 A 1 ATOM 795 C CB . SER A 1 98 ? 9.721 -5.001 -0.609 1.00 84.66 98 A 1 ATOM 796 O OG . SER A 1 98 ? 10.614 -6.056 -0.896 1.00 73.01 98 A 1 ATOM 797 N N . LEU A 1 99 ? 8.086 -3.848 2.032 1.00 88.42 99 A 1 ATOM 798 C CA . LEU A 1 99 ? 7.491 -2.614 2.537 1.00 87.45 99 A 1 ATOM 799 C C . LEU A 1 99 ? 7.969 -1.423 1.707 1.00 87.26 99 A 1 ATOM 800 O O . LEU A 1 99 ? 9.166 -1.252 1.474 1.00 84.38 99 A 1 ATOM 801 C CB . LEU A 1 99 ? 7.843 -2.422 4.021 1.00 84.75 99 A 1 ATOM 802 C CG . LEU A 1 99 ? 6.999 -3.288 4.972 1.00 78.14 99 A 1 ATOM 803 C CD1 . LEU A 1 99 ? 7.613 -3.294 6.369 1.00 73.82 99 A 1 ATOM 804 C CD2 . LEU A 1 99 ? 5.575 -2.737 5.097 1.00 72.95 99 A 1 ATOM 805 N N . LEU A 1 100 ? 7.034 -0.549 1.322 1.00 87.13 100 A 1 ATOM 806 C CA . LEU A 1 100 ? 7.394 0.739 0.747 1.00 85.67 100 A 1 ATOM 807 C C . LEU A 1 100 ? 7.954 1.636 1.861 1.00 84.69 100 A 1 ATOM 808 O O . LEU A 1 100 ? 7.213 2.115 2.727 1.00 79.83 100 A 1 ATOM 809 C CB . LEU A 1 100 ? 6.177 1.347 0.035 1.00 83.57 100 A 1 ATOM 810 C CG . LEU A 1 100 ? 6.493 2.666 -0.696 1.00 80.79 100 A 1 ATOM 811 C CD1 . LEU A 1 100 ? 7.437 2.462 -1.874 1.00 75.92 100 A 1 ATOM 812 C CD2 . LEU A 1 100 ? 5.201 3.284 -1.229 1.00 74.98 100 A 1 ATOM 813 N N . ASP A 1 101 ? 9.257 1.884 1.812 1.00 82.33 101 A 1 ATOM 814 C CA . ASP A 1 101 ? 9.937 2.700 2.813 1.00 81.62 101 A 1 ATOM 815 C C . ASP A 1 101 ? 9.653 4.194 2.612 1.00 82.94 101 A 1 ATOM 816 O O . ASP A 1 101 ? 10.398 4.955 1.988 1.00 79.64 101 A 1 ATOM 817 C CB . ASP A 1 101 ? 11.432 2.368 2.860 1.00 77.08 101 A 1 ATOM 818 C CG . ASP A 1 101 ? 12.121 3.072 4.032 1.00 72.87 101 A 1 ATOM 819 O OD1 . ASP A 1 101 ? 11.461 3.859 4.765 1.00 67.63 101 A 1 ATOM 820 O OD2 . ASP A 1 101 ? 13.338 2.874 4.182 1.00 67.45 101 A 1 ATOM 821 N N . LEU A 1 102 ? 8.546 4.643 3.206 1.00 83.50 102 A 1 ATOM 822 C CA . LEU A 1 102 ? 8.204 6.056 3.268 1.00 83.42 102 A 1 ATOM 823 C C . LEU A 1 102 ? 9.234 6.858 4.077 1.00 83.11 102 A 1 ATOM 824 O O . LEU A 1 102 ? 9.367 8.058 3.858 1.00 78.74 102 A 1 ATOM 825 C CB . LEU A 1 102 ? 6.803 6.221 3.883 1.00 81.73 102 A 1 ATOM 826 C CG . LEU A 1 102 ? 5.650 5.628 3.050 1.00 80.46 102 A 1 ATOM 827 C CD1 . LEU A 1 102 ? 4.339 5.816 3.809 1.00 75.38 102 A 1 ATOM 828 C CD2 . LEU A 1 102 ? 5.520 6.328 1.695 1.00 75.06 102 A 1 ATOM 829 N N . GLY A 1 103 ? 9.942 6.246 5.010 1.00 80.91 103 A 1 ATOM 830 C CA . GLY A 1 103 ? 10.951 6.917 5.836 1.00 79.32 103 A 1 ATOM 831 C C . GLY A 1 103 ? 12.064 7.519 4.988 1.00 81.38 103 A 1 ATOM 832 O O . GLY A 1 103 ? 12.303 8.729 5.060 1.00 77.89 103 A 1 ATOM 833 N N . ASN A 1 104 ? 12.657 6.709 4.110 1.00 82.13 104 A 1 ATOM 834 C CA . ASN A 1 104 ? 13.782 7.101 3.260 1.00 82.66 104 A 1 ATOM 835 C C . ASN A 1 104 ? 13.365 7.800 1.957 1.00 84.19 104 A 1 ATOM 836 O O . ASN A 1 104 ? 14.185 8.436 1.300 1.00 81.96 104 A 1 ATOM 837 C CB . ASN A 1 104 ? 14.646 5.858 3.025 1.00 80.03 104 A 1 ATOM 838 C CG . ASN A 1 104 ? 15.348 5.433 4.306 1.00 74.66 104 A 1 ATOM 839 O OD1 . ASN A 1 104 ? 15.764 6.253 5.104 1.00 67.99 104 A 1 ATOM 840 N ND2 . ASN A 1 104 ? 15.499 4.150 4.546 1.00 66.21 104 A 1 ATOM 841 N N . MET A 1 105 ? 12.082 7.754 1.586 1.00 83.80 105 A 1 ATOM 842 C CA . MET A 1 105 ? 11.587 8.472 0.413 1.00 84.68 105 A 1 ATOM 843 C C . MET A 1 105 ? 11.798 9.993 0.564 1.00 85.93 105 A 1 ATOM 844 O O . MET A 1 105 ? 11.525 10.550 1.638 1.00 84.10 105 A 1 ATOM 845 C CB . MET A 1 105 ? 10.114 8.116 0.181 1.00 81.70 105 A 1 ATOM 846 C CG . MET A 1 105 ? 9.573 8.680 -1.138 1.00 75.79 105 A 1 ATOM 847 S SD . MET A 1 105 ? 7.829 8.286 -1.466 1.00 74.18 105 A 1 ATOM 848 C CE . MET A 1 105 ? 7.952 6.514 -1.808 1.00 66.09 105 A 1 ATOM 849 N N . PRO A 1 106 ? 12.199 10.714 -0.504 1.00 85.08 106 A 1 ATOM 850 C CA . PRO A 1 106 ? 12.291 12.174 -0.479 1.00 84.69 106 A 1 ATOM 851 C C . PRO A 1 106 ? 10.969 12.833 -0.060 1.00 85.55 106 A 1 ATOM 852 O O . PRO A 1 106 ? 9.884 12.354 -0.385 1.00 82.94 106 A 1 ATOM 853 C CB . PRO A 1 106 ? 12.712 12.587 -1.893 1.00 82.25 106 A 1 ATOM 854 C CG . PRO A 1 106 ? 13.439 11.352 -2.423 1.00 79.45 106 A 1 ATOM 855 C CD . PRO A 1 106 ? 12.681 10.196 -1.782 1.00 82.88 106 A 1 ATOM 856 N N . ASN A 1 107 ? 11.039 13.960 0.640 1.00 85.17 107 A 1 ATOM 857 C CA . ASN A 1 107 ? 9.853 14.684 1.124 1.00 84.93 107 A 1 ATOM 858 C C . ASN A 1 107 ? 9.164 15.473 -0.001 1.00 84.81 107 A 1 ATOM 859 O O . ASN A 1 107 ? 9.103 16.703 0.011 1.00 81.95 107 A 1 ATOM 860 C CB . ASN A 1 107 ? 10.235 15.569 2.329 1.00 83.42 107 A 1 ATOM 861 C CG . ASN A 1 107 ? 10.619 14.781 3.565 1.00 80.39 107 A 1 ATOM 862 O OD1 . ASN A 1 107 ? 10.382 13.589 3.697 1.00 74.66 107 A 1 ATOM 863 N ND2 . ASN A 1 107 ? 11.230 15.434 4.532 1.00 74.27 107 A 1 ATOM 864 N N . THR A 1 108 ? 8.659 14.749 -0.981 1.00 83.11 108 A 1 ATOM 865 C CA . THR A 1 108 ? 7.970 15.263 -2.167 1.00 81.67 108 A 1 ATOM 866 C C . THR A 1 108 ? 6.457 15.385 -1.930 1.00 82.65 108 A 1 ATOM 867 O O . THR A 1 108 ? 5.914 14.763 -1.006 1.00 81.29 108 A 1 ATOM 868 C CB . THR A 1 108 ? 8.239 14.358 -3.380 1.00 78.79 108 A 1 ATOM 869 O OG1 . THR A 1 108 ? 7.734 13.070 -3.135 1.00 73.91 108 A 1 ATOM 870 C CG2 . THR A 1 108 ? 9.726 14.241 -3.713 1.00 72.56 108 A 1 ATOM 871 N N . PRO A 1 109 ? 5.738 16.130 -2.786 1.00 81.90 109 A 1 ATOM 872 C CA . PRO A 1 109 ? 4.272 16.141 -2.774 1.00 81.27 109 A 1 ATOM 873 C C . PRO A 1 109 ? 3.655 14.745 -2.929 1.00 82.99 109 A 1 ATOM 874 O O . PRO A 1 109 ? 2.636 14.448 -2.308 1.00 82.13 109 A 1 ATOM 875 C CB . PRO A 1 109 ? 3.878 17.059 -3.934 1.00 79.23 109 A 1 ATOM 876 C CG . PRO A 1 109 ? 5.084 17.979 -4.106 1.00 76.38 109 A 1 ATOM 877 C CD . PRO A 1 109 ? 6.248 17.059 -3.784 1.00 78.64 109 A 1 ATOM 878 N N . TYR A 1 110 ? 4.304 13.858 -3.685 1.00 82.20 110 A 1 ATOM 879 C CA . TYR A 1 110 ? 3.896 12.456 -3.806 1.00 82.76 110 A 1 ATOM 880 C C . TYR A 1 110 ? 3.946 11.731 -2.455 1.00 84.29 110 A 1 ATOM 881 O O . TYR A 1 110 ? 2.959 11.123 -2.046 1.00 84.30 110 A 1 ATOM 882 C CB . TYR A 1 110 ? 4.778 11.756 -4.842 1.00 81.28 110 A 1 ATOM 883 C CG . TYR A 1 110 ? 4.457 10.284 -5.002 1.00 79.84 110 A 1 ATOM 884 C CD1 . TYR A 1 110 ? 5.334 9.294 -4.508 1.00 77.28 110 A 1 ATOM 885 C CD2 . TYR A 1 110 ? 3.257 9.891 -5.629 1.00 76.24 110 A 1 ATOM 886 C CE1 . TYR A 1 110 ? 5.024 7.934 -4.647 1.00 73.88 110 A 1 ATOM 887 C CE2 . TYR A 1 110 ? 2.936 8.531 -5.767 1.00 73.41 110 A 1 ATOM 888 C CZ . TYR A 1 110 ? 3.825 7.555 -5.274 1.00 73.07 110 A 1 ATOM 889 O OH . TYR A 1 110 ? 3.512 6.222 -5.408 1.00 70.97 110 A 1 ATOM 890 N N . LYS A 1 111 ? 5.033 11.871 -1.701 1.00 84.94 111 A 1 ATOM 891 C CA . LYS A 1 111 ? 5.141 11.294 -0.350 1.00 86.67 111 A 1 ATOM 892 C C . LYS A 1 111 ? 4.061 11.832 0.591 1.00 87.41 111 A 1 ATOM 893 O O . LYS A 1 111 ? 3.464 11.073 1.353 1.00 87.01 111 A 1 ATOM 894 C CB . LYS A 1 111 ? 6.548 11.560 0.194 1.00 86.38 111 A 1 ATOM 895 C CG . LYS A 1 111 ? 6.795 10.906 1.561 1.00 86.22 111 A 1 ATOM 896 C CD . LYS A 1 111 ? 8.223 11.203 2.017 1.00 85.26 111 A 1 ATOM 897 C CE . LYS A 1 111 ? 8.542 10.545 3.359 1.00 81.37 111 A 1 ATOM 898 N NZ . LYS A 1 111 ? 9.975 10.693 3.705 1.00 78.68 111 A 1 ATOM 899 N N . ARG A 1 112 ? 3.749 13.132 0.516 1.00 86.77 112 A 1 ATOM 900 C CA . ARG A 1 112 ? 2.648 13.739 1.280 1.00 87.18 112 A 1 ATOM 901 C C . ARG A 1 112 ? 1.299 13.115 0.919 1.00 87.83 112 A 1 ATOM 902 O O . ARG A 1 112 ? 0.512 12.824 1.811 1.00 86.80 112 A 1 ATOM 903 C CB . ARG A 1 112 ? 2.652 15.258 1.051 1.00 86.00 112 A 1 ATOM 904 C CG . ARG A 1 112 ? 1.527 15.972 1.822 1.00 80.26 112 A 1 ATOM 905 C CD . ARG A 1 112 ? 1.617 17.479 1.623 1.00 78.27 112 A 1 ATOM 906 N NE . ARG A 1 112 ? 0.453 18.171 2.206 1.00 72.73 112 A 1 ATOM 907 C CZ . ARG A 1 112 ? -0.603 18.648 1.566 1.00 69.06 112 A 1 ATOM 908 N NH1 . ARG A 1 112 ? -0.749 18.557 0.276 1.00 61.37 112 A 1 ATOM 909 N NH2 . ARG A 1 112 ? -1.536 19.246 2.228 1.00 59.76 112 A 1 ATOM 910 N N . MET A 1 113 ? 1.048 12.891 -0.366 1.00 85.55 113 A 1 ATOM 911 C CA . MET A 1 113 ? -0.162 12.224 -0.841 1.00 85.68 113 A 1 ATOM 912 C C . MET A 1 113 ? -0.257 10.790 -0.313 1.00 87.50 113 A 1 ATOM 913 O O . MET A 1 113 ? -1.312 10.408 0.185 1.00 87.00 113 A 1 ATOM 914 C CB . MET A 1 113 ? -0.185 12.255 -2.368 1.00 83.55 113 A 1 ATOM 915 C CG . MET A 1 113 ? -1.434 11.618 -2.960 1.00 76.46 113 A 1 ATOM 916 S SD . MET A 1 113 ? -1.291 11.357 -4.744 1.00 72.03 113 A 1 ATOM 917 C CE . MET A 1 113 ? -0.181 9.936 -4.777 1.00 62.53 113 A 1 ATOM 918 N N . LEU A 1 114 ? 0.832 10.028 -0.337 1.00 86.90 114 A 1 ATOM 919 C CA . LEU A 1 114 ? 0.870 8.679 0.234 1.00 87.54 114 A 1 ATOM 920 C C . LEU A 1 114 ? 0.496 8.684 1.720 1.00 88.99 114 A 1 ATOM 921 O O . LEU A 1 114 ? -0.315 7.868 2.148 1.00 88.87 114 A 1 ATOM 922 C CB . LEU A 1 114 ? 2.260 8.050 0.040 1.00 86.73 114 A 1 ATOM 923 C CG . LEU A 1 114 ? 2.649 7.708 -1.410 1.00 83.91 114 A 1 ATOM 924 C CD1 . LEU A 1 114 ? 4.074 7.162 -1.420 1.00 81.02 114 A 1 ATOM 925 C CD2 . LEU A 1 114 ? 1.730 6.655 -2.032 1.00 80.03 114 A 1 ATOM 926 N N . TYR A 1 115 ? 0.999 9.642 2.493 1.00 88.80 115 A 1 ATOM 927 C CA . TYR A 1 115 ? 0.599 9.765 3.898 1.00 89.79 115 A 1 ATOM 928 C C . TYR A 1 115 ? -0.878 10.132 4.074 1.00 90.27 115 A 1 ATOM 929 O O . TYR A 1 115 ? -1.516 9.610 4.983 1.00 89.69 115 A 1 ATOM 930 C CB . TYR A 1 115 ? 1.493 10.771 4.613 1.00 89.66 115 A 1 ATOM 931 C CG . TYR A 1 115 ? 2.797 10.191 5.101 1.00 89.19 115 A 1 ATOM 932 C CD1 . TYR A 1 115 ? 2.797 9.195 6.097 1.00 87.19 115 A 1 ATOM 933 C CD2 . TYR A 1 115 ? 4.023 10.646 4.579 1.00 87.30 115 A 1 ATOM 934 C CE1 . TYR A 1 115 ? 4.000 8.655 6.567 1.00 86.13 115 A 1 ATOM 935 C CE2 . TYR A 1 115 ? 5.237 10.111 5.042 1.00 85.67 115 A 1 ATOM 936 C CZ . TYR A 1 115 ? 5.220 9.112 6.037 1.00 86.62 115 A 1 ATOM 937 O OH . TYR A 1 115 ? 6.402 8.579 6.490 1.00 84.49 115 A 1 ATOM 938 N N . LYS A 1 116 ? -1.462 10.967 3.199 1.00 88.86 116 A 1 ATOM 939 C CA . LYS A 1 116 ? -2.905 11.260 3.222 1.00 88.50 116 A 1 ATOM 940 C C . LYS A 1 116 ? -3.745 10.022 2.891 1.00 89.40 116 A 1 ATOM 941 O O . LYS A 1 116 ? -4.732 9.753 3.571 1.00 88.33 116 A 1 ATOM 942 C CB . LYS A 1 116 ? -3.253 12.398 2.257 1.00 87.25 116 A 1 ATOM 943 C CG . LYS A 1 116 ? -2.813 13.771 2.778 1.00 83.29 116 A 1 ATOM 944 C CD . LYS A 1 116 ? -3.434 14.862 1.909 1.00 77.43 116 A 1 ATOM 945 C CE . LYS A 1 116 ? -3.223 16.244 2.529 1.00 71.86 116 A 1 ATOM 946 N NZ . LYS A 1 116 ? -4.177 17.227 1.971 1.00 65.10 116 A 1 ATOM 947 N N . GLN A 1 117 ? -3.331 9.260 1.894 1.00 89.53 117 A 1 ATOM 948 C CA . GLN A 1 117 ? -3.956 7.973 1.580 1.00 89.39 117 A 1 ATOM 949 C C . GLN A 1 117 ? -3.865 7.032 2.787 1.00 90.23 117 A 1 ATOM 950 O O . GLN A 1 117 ? -4.874 6.476 3.208 1.00 89.91 117 A 1 ATOM 951 C CB . GLN A 1 117 ? -3.282 7.335 0.358 1.00 88.11 117 A 1 ATOM 952 C CG . GLN A 1 117 ? -3.589 8.063 -0.956 1.00 84.44 117 A 1 ATOM 953 C CD . GLN A 1 117 ? -2.795 7.500 -2.137 1.00 84.14 117 A 1 ATOM 954 O OE1 . GLN A 1 117 ? -1.749 6.892 -1.995 1.00 78.25 117 A 1 ATOM 955 N NE2 . GLN A 1 117 ? -3.260 7.694 -3.351 1.00 76.93 117 A 1 ATOM 956 N N . LEU A 1 118 ? -2.693 6.920 3.388 1.00 89.74 118 A 1 ATOM 957 C CA . LEU A 1 118 ? -2.465 6.047 4.536 1.00 89.89 118 A 1 ATOM 958 C C . LEU A 1 118 ? -3.293 6.458 5.757 1.00 90.55 118 A 1 ATOM 959 O O . LEU A 1 118 ? -3.810 5.589 6.454 1.00 89.76 118 A 1 ATOM 960 C CB . LEU A 1 118 ? -0.961 6.032 4.848 1.00 88.90 118 A 1 ATOM 961 C CG . LEU A 1 118 ? -0.543 4.978 5.890 1.00 84.52 118 A 1 ATOM 962 C CD1 . LEU A 1 118 ? -0.810 3.553 5.407 1.00 81.61 118 A 1 ATOM 963 C CD2 . LEU A 1 118 ? 0.951 5.123 6.175 1.00 80.64 118 A 1 ATOM 964 N N . GLN A 1 119 ? -3.474 7.758 5.990 1.00 90.77 119 A 1 ATOM 965 C CA . GLN A 1 119 ? -4.351 8.279 7.041 1.00 90.87 119 A 1 ATOM 966 C C . GLN A 1 119 ? -5.776 7.760 6.863 1.00 90.76 119 A 1 ATOM 967 O O . GLN A 1 119 ? -6.337 7.166 7.782 1.00 90.03 119 A 1 ATOM 968 C CB . GLN A 1 119 ? -4.331 9.818 7.030 1.00 90.02 119 A 1 ATOM 969 C CG . GLN A 1 119 ? -5.157 10.405 8.184 1.00 87.55 119 A 1 ATOM 970 C CD . GLN A 1 119 ? -5.153 11.934 8.200 1.00 86.60 119 A 1 ATOM 971 O OE1 . GLN A 1 119 ? -5.283 12.602 7.187 1.00 80.21 119 A 1 ATOM 972 N NE2 . GLN A 1 119 ? -5.006 12.541 9.355 1.00 78.02 119 A 1 ATOM 973 N N . PHE A 1 120 ? -6.338 7.949 5.664 1.00 90.34 120 A 1 ATOM 974 C CA . PHE A 1 120 ? -7.701 7.527 5.366 1.00 90.36 120 A 1 ATOM 975 C C . PHE A 1 120 ? -7.856 6.003 5.401 1.00 90.53 120 A 1 ATOM 976 O O . PHE A 1 120 ? -8.827 5.491 5.955 1.00 89.08 120 A 1 ATOM 977 C CB . PHE A 1 120 ? -8.119 8.093 4.011 1.00 89.14 120 A 1 ATOM 978 C CG . PHE A 1 120 ? -9.570 7.807 3.701 1.00 88.46 120 A 1 ATOM 979 C CD1 . PHE A 1 120 ? -9.923 6.787 2.802 1.00 85.70 120 A 1 ATOM 980 C CD2 . PHE A 1 120 ? -10.579 8.538 4.357 1.00 85.40 120 A 1 ATOM 981 C CE1 . PHE A 1 120 ? -11.275 6.507 2.543 1.00 84.04 120 A 1 ATOM 982 C CE2 . PHE A 1 120 ? -11.932 8.260 4.102 1.00 83.11 120 A 1 ATOM 983 C CZ . PHE A 1 120 ? -12.279 7.245 3.193 1.00 83.99 120 A 1 ATOM 984 N N . ILE A 1 121 ? -6.883 5.271 4.857 1.00 90.09 121 A 1 ATOM 985 C CA . ILE A 1 121 ? -6.877 3.806 4.858 1.00 90.04 121 A 1 ATOM 986 C C . ILE A 1 121 ? -6.882 3.266 6.288 1.00 90.05 121 A 1 ATOM 987 O O . ILE A 1 121 ? -7.714 2.422 6.609 1.00 88.84 121 A 1 ATOM 988 C CB . ILE A 1 121 ? -5.681 3.272 4.045 1.00 89.75 121 A 1 ATOM 989 C CG1 . ILE A 1 121 ? -5.911 3.528 2.537 1.00 87.83 121 A 1 ATOM 990 C CG2 . ILE A 1 121 ? -5.467 1.769 4.288 1.00 88.00 121 A 1 ATOM 991 C CD1 . ILE A 1 121 ? -4.650 3.368 1.688 1.00 84.80 121 A 1 ATOM 992 N N . ARG A 1 122 ? -6.013 3.768 7.151 1.00 90.40 122 A 1 ATOM 993 C CA . ARG A 1 122 ? -5.960 3.319 8.549 1.00 89.40 122 A 1 ATOM 994 C C . ARG A 1 122 ? -7.236 3.662 9.314 1.00 89.07 122 A 1 ATOM 995 O O . ARG A 1 122 ? -7.733 2.816 10.049 1.00 87.41 122 A 1 ATOM 996 C CB . ARG A 1 122 ? -4.724 3.888 9.255 1.00 88.02 122 A 1 ATOM 997 C CG . ARG A 1 122 ? -3.427 3.215 8.777 1.00 84.29 122 A 1 ATOM 998 C CD . ARG A 1 122 ? -2.251 3.764 9.568 1.00 83.43 122 A 1 ATOM 999 N NE . ARG A 1 122 ? -0.955 3.219 9.105 1.00 81.78 122 A 1 ATOM 1000 C CZ . ARG A 1 122 ? 0.231 3.672 9.484 1.00 81.86 122 A 1 ATOM 1001 N NH1 . ARG A 1 122 ? 0.364 4.589 10.392 1.00 74.10 122 A 1 ATOM 1002 N NH2 . ARG A 1 122 ? 1.319 3.235 8.936 1.00 74.53 122 A 1 ATOM 1003 N N . ALA A 1 123 ? -7.808 4.840 9.080 1.00 88.74 123 A 1 ATOM 1004 C CA . ALA A 1 123 ? -9.077 5.241 9.692 1.00 87.69 123 A 1 ATOM 1005 C C . ALA A 1 123 ? -10.280 4.389 9.236 1.00 88.00 123 A 1 ATOM 1006 O O . ALA A 1 123 ? -11.304 4.364 9.911 1.00 85.42 123 A 1 ATOM 1007 C CB . ALA A 1 123 ? -9.310 6.728 9.386 1.00 86.02 123 A 1 ATOM 1008 N N . ASN A 1 124 ? -10.174 3.696 8.099 1.00 89.83 124 A 1 ATOM 1009 C CA . ASN A 1 124 ? -11.234 2.868 7.523 1.00 89.31 124 A 1 ATOM 1010 C C . ASN A 1 124 ? -10.822 1.395 7.369 1.00 89.71 124 A 1 ATOM 1011 O O . ASN A 1 124 ? -11.417 0.676 6.564 1.00 87.68 124 A 1 ATOM 1012 C CB . ASN A 1 124 ? -11.712 3.497 6.204 1.00 88.10 124 A 1 ATOM 1013 C CG . ASN A 1 124 ? -12.406 4.830 6.411 1.00 86.19 124 A 1 ATOM 1014 O OD1 . ASN A 1 124 ? -13.598 4.901 6.689 1.00 78.48 124 A 1 ATOM 1015 N ND2 . ASN A 1 124 ? -11.687 5.921 6.274 1.00 77.54 124 A 1 ATOM 1016 N N . SER A 1 125 ? -9.814 0.936 8.105 1.00 88.88 125 A 1 ATOM 1017 C CA . SER A 1 125 ? -9.252 -0.410 7.944 1.00 88.11 125 A 1 ATOM 1018 C C . SER A 1 125 ? -10.293 -1.514 8.147 1.00 88.67 125 A 1 ATOM 1019 O O . SER A 1 125 ? -10.358 -2.419 7.321 1.00 86.97 125 A 1 ATOM 1020 C CB . SER A 1 125 ? -8.070 -0.615 8.888 1.00 86.33 125 A 1 ATOM 1021 O OG . SER A 1 125 ? -6.996 0.225 8.526 1.00 76.58 125 A 1 ATOM 1022 N N . ASP A 1 126 ? -11.185 -1.385 9.133 1.00 88.43 126 A 1 ATOM 1023 C CA . ASP A 1 126 ? -12.284 -2.338 9.353 1.00 87.50 126 A 1 ATOM 1024 C C . ASP A 1 126 ? -13.223 -2.441 8.151 1.00 88.91 126 A 1 ATOM 1025 O O . ASP A 1 126 ? -13.606 -3.528 7.725 1.00 86.39 126 A 1 ATOM 1026 C CB . ASP A 1 126 ? -13.125 -1.914 10.564 1.00 83.96 126 A 1 ATOM 1027 C CG . ASP A 1 126 ? -12.344 -2.051 11.859 1.00 73.72 126 A 1 ATOM 1028 O OD1 . ASP A 1 126 ? -11.711 -3.116 12.013 1.00 61.91 126 A 1 ATOM 1029 O OD2 . ASP A 1 126 ? -12.332 -1.061 12.621 1.00 64.81 126 A 1 ATOM 1030 N N . LYS A 1 127 ? -13.585 -1.300 7.553 1.00 86.63 127 A 1 ATOM 1031 C CA . LYS A 1 127 ? -14.464 -1.267 6.377 1.00 86.93 127 A 1 ATOM 1032 C C . LYS A 1 127 ? -13.792 -1.905 5.163 1.00 87.88 127 A 1 ATOM 1033 O O . LYS A 1 127 ? -14.462 -2.563 4.376 1.00 86.77 127 A 1 ATOM 1034 C CB . LYS A 1 127 ? -14.879 0.170 6.047 1.00 85.43 127 A 1 ATOM 1035 C CG . LYS A 1 127 ? -15.717 0.832 7.152 1.00 76.31 127 A 1 ATOM 1036 C CD . LYS A 1 127 ? -16.056 2.269 6.739 1.00 72.04 127 A 1 ATOM 1037 C CE . LYS A 1 127 ? -16.747 3.021 7.876 1.00 61.23 127 A 1 ATOM 1038 N NZ . LYS A 1 127 ? -16.733 4.488 7.638 1.00 54.74 127 A 1 ATOM 1039 N N . ILE A 1 128 ? -12.484 -1.700 5.003 1.00 87.47 128 A 1 ATOM 1040 C CA . ILE A 1 128 ? -11.709 -2.312 3.918 1.00 87.75 128 A 1 ATOM 1041 C C . ILE A 1 128 ? -11.655 -3.833 4.104 1.00 88.05 128 A 1 ATOM 1042 O O . ILE A 1 128 ? -11.937 -4.557 3.151 1.00 86.71 128 A 1 ATOM 1043 C CB . ILE A 1 128 ? -10.300 -1.685 3.820 1.00 87.84 128 A 1 ATOM 1044 C CG1 . ILE A 1 128 ? -10.386 -0.189 3.435 1.00 86.21 128 A 1 ATOM 1045 C CG2 . ILE A 1 128 ? -9.444 -2.435 2.780 1.00 86.32 128 A 1 ATOM 1046 C CD1 . ILE A 1 128 ? -9.083 0.587 3.656 1.00 82.93 128 A 1 ATOM 1047 N N . ALA A 1 129 ? -11.365 -4.303 5.309 1.00 88.56 129 A 1 ATOM 1048 C CA . ALA A 1 129 ? -11.336 -5.728 5.629 1.00 87.35 129 A 1 ATOM 1049 C C . ALA A 1 129 ? -12.711 -6.382 5.409 1.00 88.13 129 A 1 ATOM 1050 O O . ALA A 1 129 ? -12.813 -7.357 4.668 1.00 87.05 129 A 1 ATOM 1051 C CB . ALA A 1 129 ? -10.838 -5.895 7.068 1.00 85.53 129 A 1 ATOM 1052 N N . SER A 1 130 ? -13.780 -5.784 5.933 1.00 87.59 130 A 1 ATOM 1053 C CA . SER A 1 130 ? -15.155 -6.273 5.766 1.00 87.01 130 A 1 ATOM 1054 C C . SER A 1 130 ? -15.590 -6.324 4.296 1.00 87.74 130 A 1 ATOM 1055 O O . SER A 1 130 ? -16.147 -7.327 3.842 1.00 86.75 130 A 1 ATOM 1056 C CB . SER A 1 130 ? -16.100 -5.384 6.579 1.00 85.58 130 A 1 ATOM 1057 O OG . SER A 1 130 ? -17.452 -5.746 6.382 1.00 72.64 130 A 1 ATOM 1058 N N . LYS A 1 131 ? -15.284 -5.291 3.504 1.00 87.73 131 A 1 ATOM 1059 C CA . LYS A 1 131 ? -15.542 -5.310 2.056 1.00 87.78 131 A 1 ATOM 1060 C C . LYS A 1 131 ? -14.752 -6.405 1.345 1.00 88.60 131 A 1 ATOM 1061 O O . LYS A 1 131 ? -15.291 -7.030 0.438 1.00 87.06 131 A 1 ATOM 1062 C CB . LYS A 1 131 ? -15.211 -3.958 1.413 1.00 86.10 131 A 1 ATOM 1063 C CG . LYS A 1 131 ? -16.343 -2.937 1.574 1.00 80.33 131 A 1 ATOM 1064 C CD . LYS A 1 131 ? -16.032 -1.701 0.724 1.00 80.40 131 A 1 ATOM 1065 C CE . LYS A 1 131 ? -17.215 -0.733 0.730 1.00 74.46 131 A 1 ATOM 1066 N NZ . LYS A 1 131 ? -17.129 0.236 -0.387 1.00 70.04 131 A 1 ATOM 1067 N N . SER A 1 132 ? -13.498 -6.604 1.723 1.00 87.88 132 A 1 ATOM 1068 C CA . SER A 1 132 ? -12.627 -7.601 1.101 1.00 87.20 132 A 1 ATOM 1069 C C . SER A 1 132 ? -13.117 -9.020 1.383 1.00 88.02 132 A 1 ATOM 1070 O O . SER A 1 132 ? -13.196 -9.825 0.457 1.00 86.62 132 A 1 ATOM 1071 C CB . SER A 1 132 ? -11.184 -7.440 1.585 1.00 86.71 132 A 1 ATOM 1072 O OG . SER A 1 132 ? -10.721 -6.127 1.339 1.00 77.78 132 A 1 ATOM 1073 N N . ASP A 1 133 ? -13.523 -9.296 2.612 1.00 89.05 133 A 1 ATOM 1074 C CA . ASP A 1 133 ? -14.115 -10.576 3.003 1.00 88.71 133 A 1 ATOM 1075 C C . ASP A 1 133 ? -15.437 -10.835 2.265 1.00 89.36 133 A 1 ATOM 1076 O O . ASP A 1 133 ? -15.608 -11.858 1.597 1.00 88.28 133 A 1 ATOM 1077 C CB . ASP A 1 133 ? -14.318 -10.589 4.523 1.00 87.18 133 A 1 ATOM 1078 C CG . ASP A 1 133 ? -14.909 -11.929 4.957 1.00 82.73 133 A 1 ATOM 1079 O OD1 . ASP A 1 133 ? -14.263 -12.960 4.672 1.00 73.46 133 A 1 ATOM 1080 O OD2 . ASP A 1 133 ? -16.033 -11.914 5.493 1.00 73.30 133 A 1 ATOM 1081 N N . THR A 1 134 ? -16.341 -9.852 2.265 1.00 87.54 134 A 1 ATOM 1082 C CA . THR A 1 134 ? -17.612 -9.949 1.533 1.00 86.67 134 A 1 ATOM 1083 C C . THR A 1 134 ? -17.383 -10.190 0.040 1.00 87.90 134 A 1 ATOM 1084 O O . THR A 1 134 ? -18.051 -11.031 -0.563 1.00 86.81 134 A 1 ATOM 1085 C CB . THR A 1 134 ? -18.451 -8.674 1.706 1.00 85.11 134 A 1 ATOM 1086 O OG1 . THR A 1 134 ? -18.656 -8.354 3.060 1.00 79.07 134 A 1 ATOM 1087 C CG2 . THR A 1 134 ? -19.843 -8.818 1.087 1.00 77.02 134 A 1 ATOM 1088 N N . LEU A 1 135 ? -16.432 -9.470 -0.565 1.00 87.48 135 A 1 ATOM 1089 C CA . LEU A 1 135 ? -16.076 -9.639 -1.972 1.00 87.15 135 A 1 ATOM 1090 C C . LEU A 1 135 ? -15.577 -11.057 -2.246 1.00 88.07 135 A 1 ATOM 1091 O O . LEU A 1 135 ? -16.084 -11.701 -3.164 1.00 86.48 135 A 1 ATOM 1092 C CB . LEU A 1 135 ? -15.022 -8.585 -2.355 1.00 86.05 135 A 1 ATOM 1093 C CG . LEU A 1 135 ? -14.480 -8.730 -3.789 1.00 83.36 135 A 1 ATOM 1094 C CD1 . LEU A 1 135 ? -15.568 -8.499 -4.827 1.00 78.47 135 A 1 ATOM 1095 C CD2 . LEU A 1 135 ? -13.383 -7.698 -4.031 1.00 78.05 135 A 1 ATOM 1096 N N . ARG A 1 136 ? -14.627 -11.550 -1.453 1.00 86.28 136 A 1 ATOM 1097 C CA . ARG A 1 136 ? -14.094 -12.906 -1.595 1.00 86.48 136 A 1 ATOM 1098 C C . ARG A 1 136 ? -15.211 -13.937 -1.501 1.00 86.21 136 A 1 ATOM 1099 O O . ARG A 1 136 ? -15.337 -14.761 -2.399 1.00 85.32 136 A 1 ATOM 1100 C CB . ARG A 1 136 ? -13.000 -13.146 -0.540 1.00 86.20 136 A 1 ATOM 1101 C CG . ARG A 1 136 ? -12.390 -14.550 -0.661 1.00 84.88 136 A 1 ATOM 1102 C CD . ARG A 1 136 ? -11.259 -14.745 0.357 1.00 84.67 136 A 1 ATOM 1103 N NE . ARG A 1 136 ? -10.748 -16.119 0.340 1.00 81.77 136 A 1 ATOM 1104 C CZ . ARG A 1 136 ? -11.171 -17.151 1.057 1.00 82.16 136 A 1 ATOM 1105 N NH1 . ARG A 1 136 ? -12.158 -17.061 1.901 1.00 73.03 136 A 1 ATOM 1106 N NH2 . ARG A 1 136 ? -10.581 -18.297 0.935 1.00 74.70 136 A 1 ATOM 1107 N N . ASN A 1 137 ? -16.070 -13.852 -0.502 1.00 88.07 137 A 1 ATOM 1108 C CA . ASN A 1 137 ? -17.183 -14.780 -0.311 1.00 87.21 137 A 1 ATOM 1109 C C . ASN A 1 137 ? -18.158 -14.781 -1.498 1.00 87.03 137 A 1 ATOM 1110 O O . ASN A 1 137 ? -18.598 -15.843 -1.937 1.00 85.03 137 A 1 ATOM 1111 C CB . ASN A 1 137 ? -17.894 -14.428 1.006 1.00 85.77 137 A 1 ATOM 1112 C CG . ASN A 1 137 ? -17.061 -14.799 2.224 1.00 80.21 137 A 1 ATOM 1113 O OD1 . ASN A 1 137 ? -16.289 -15.741 2.197 1.00 71.47 137 A 1 ATOM 1114 N ND2 . ASN A 1 137 ? -17.213 -14.078 3.313 1.00 70.33 137 A 1 ATOM 1115 N N . LEU A 1 138 ? -18.468 -13.613 -2.073 1.00 88.06 138 A 1 ATOM 1116 C CA . LEU A 1 138 ? -19.314 -13.524 -3.267 1.00 86.70 138 A 1 ATOM 1117 C C . LEU A 1 138 ? -18.649 -14.139 -4.502 1.00 87.26 138 A 1 ATOM 1118 O O . LEU A 1 138 ? -19.332 -14.782 -5.297 1.00 85.16 138 A 1 ATOM 1119 C CB . LEU A 1 138 ? -19.680 -12.057 -3.535 1.00 85.38 138 A 1 ATOM 1120 C CG . LEU A 1 138 ? -20.690 -11.456 -2.542 1.00 81.28 138 A 1 ATOM 1121 C CD1 . LEU A 1 138 ? -20.830 -9.963 -2.828 1.00 76.78 138 A 1 ATOM 1122 C CD2 . LEU A 1 138 ? -22.073 -12.093 -2.659 1.00 77.34 138 A 1 ATOM 1123 N N . VAL A 1 139 ? -17.336 -13.964 -4.664 1.00 86.54 139 A 1 ATOM 1124 C CA . VAL A 1 139 ? -16.579 -14.566 -5.772 1.00 85.52 139 A 1 ATOM 1125 C C . VAL A 1 139 ? -16.521 -16.086 -5.632 1.00 85.99 139 A 1 ATOM 1126 O O . VAL A 1 139 ? -16.817 -16.784 -6.598 1.00 84.32 139 A 1 ATOM 1127 C CB . VAL A 1 139 ? -15.172 -13.959 -5.880 1.00 84.71 139 A 1 ATOM 1128 C CG1 . VAL A 1 139 ? -14.312 -14.668 -6.937 1.00 80.26 139 A 1 ATOM 1129 C CG2 . VAL A 1 139 ? -15.267 -12.483 -6.279 1.00 81.43 139 A 1 ATOM 1130 N N . LEU A 1 140 ? -16.241 -16.598 -4.437 1.00 86.90 140 A 1 ATOM 1131 C CA . LEU A 1 140 ? -16.224 -18.040 -4.158 1.00 85.44 140 A 1 ATOM 1132 C C . LEU A 1 140 ? -17.591 -18.698 -4.399 1.00 85.43 140 A 1 ATOM 1133 O O . LEU A 1 140 ? -17.662 -19.842 -4.834 1.00 82.21 140 A 1 ATOM 1134 C CB . LEU A 1 140 ? -15.780 -18.277 -2.705 1.00 84.07 140 A 1 ATOM 1135 C CG . LEU A 1 140 ? -14.319 -17.905 -2.382 1.00 80.95 140 A 1 ATOM 1136 C CD1 . LEU A 1 140 ? -14.064 -18.130 -0.893 1.00 74.90 140 A 1 ATOM 1137 C CD2 . LEU A 1 140 ? -13.313 -18.728 -3.171 1.00 74.56 140 A 1 ATOM 1138 N N . GLN A 1 141 ? -18.684 -17.960 -4.181 1.00 86.05 141 A 1 ATOM 1139 C CA . GLN A 1 141 ? -20.052 -18.411 -4.468 1.00 85.00 141 A 1 ATOM 1140 C C . GLN A 1 141 ? -20.460 -18.245 -5.944 1.00 84.76 141 A 1 ATOM 1141 O O . GLN A 1 141 ? -21.620 -18.503 -6.279 1.00 79.49 141 A 1 ATOM 1142 C CB . GLN A 1 141 ? -21.031 -17.671 -3.548 1.00 82.64 141 A 1 ATOM 1143 C CG . GLN A 1 141 ? -20.875 -18.073 -2.072 1.00 78.84 141 A 1 ATOM 1144 C CD . GLN A 1 141 ? -21.727 -17.210 -1.137 1.00 75.69 141 A 1 ATOM 1145 O OE1 . GLN A 1 141 ? -22.702 -16.563 -1.519 1.00 67.45 141 A 1 ATOM 1146 N NE2 . GLN A 1 141 ? -21.404 -17.194 0.137 1.00 66.56 141 A 1 ATOM 1147 N N . GLY A 1 142 ? -19.576 -17.748 -6.810 1.00 83.86 142 A 1 ATOM 1148 C CA . GLY A 1 142 ? -19.881 -17.467 -8.222 1.00 81.62 142 A 1 ATOM 1149 C C . GLY A 1 142 ? -20.853 -16.299 -8.447 1.00 82.53 142 A 1 ATOM 1150 O O . GLY A 1 142 ? -21.358 -16.115 -9.554 1.00 77.57 142 A 1 ATOM 1151 N N . LYS A 1 143 ? -21.116 -15.484 -7.422 1.00 80.06 143 A 1 ATOM 1152 C CA . LYS A 1 143 ? -22.083 -14.365 -7.473 1.00 77.54 143 A 1 ATOM 1153 C C . LYS A 1 143 ? -21.475 -13.053 -7.968 1.00 76.79 143 A 1 ATOM 1154 O O . LYS A 1 143 ? -22.184 -12.055 -8.100 1.00 72.75 143 A 1 ATOM 1155 C CB . LYS A 1 143 ? -22.730 -14.173 -6.097 1.00 74.95 143 A 1 ATOM 1156 C CG . LYS A 1 143 ? -23.603 -15.366 -5.689 1.00 74.12 143 A 1 ATOM 1157 C CD . LYS A 1 143 ? -24.177 -15.135 -4.288 1.00 69.00 143 A 1 ATOM 1158 C CE . LYS A 1 143 ? -25.008 -16.347 -3.871 1.00 64.67 143 A 1 ATOM 1159 N NZ . LYS A 1 143 ? -25.285 -16.333 -2.413 1.00 57.04 143 A 1 ATOM 1160 N N . MET A 1 144 ? -20.178 -13.031 -8.221 1.00 80.16 144 A 1 ATOM 1161 C CA . MET A 1 144 ? -19.470 -11.836 -8.658 1.00 79.34 144 A 1 ATOM 1162 C C . MET A 1 144 ? -18.491 -12.157 -9.783 1.00 81.20 144 A 1 ATOM 1163 O O . MET A 1 144 ? -17.791 -13.161 -9.747 1.00 75.14 144 A 1 ATOM 1164 C CB . MET A 1 144 ? -18.787 -11.194 -7.445 1.00 73.36 144 A 1 ATOM 1165 C CG . MET A 1 144 ? -18.342 -9.773 -7.758 1.00 68.99 144 A 1 ATOM 1166 S SD . MET A 1 144 ? -18.167 -8.724 -6.302 1.00 65.83 144 A 1 ATOM 1167 C CE . MET A 1 144 ? -18.058 -7.131 -7.122 1.00 58.82 144 A 1 ATOM 1168 N N . GLN A 1 145 ? -18.444 -11.273 -10.781 1.00 79.86 145 A 1 ATOM 1169 C CA . GLN A 1 145 ? -17.639 -11.445 -11.985 1.00 79.97 145 A 1 ATOM 1170 C C . GLN A 1 145 ? -16.640 -10.296 -12.161 1.00 81.76 145 A 1 ATOM 1171 O O . GLN A 1 145 ? -16.819 -9.195 -11.619 1.00 75.31 145 A 1 ATOM 1172 C CB . GLN A 1 145 ? -18.574 -11.573 -13.207 1.00 73.64 145 A 1 ATOM 1173 C CG . GLN A 1 145 ? -19.497 -12.823 -13.153 1.00 65.63 145 A 1 ATOM 1174 C CD . GLN A 1 145 ? -18.710 -14.132 -13.161 1.00 58.73 145 A 1 ATOM 1175 O OE1 . GLN A 1 145 ? -17.567 -14.180 -13.589 1.00 52.66 145 A 1 ATOM 1176 N NE2 . GLN A 1 145 ? -19.280 -15.216 -12.690 1.00 50.46 145 A 1 ATOM 1177 N N . GLY A 1 146 ? -15.600 -10.541 -12.955 1.00 81.32 146 A 1 ATOM 1178 C CA . GLY A 1 146 ? -14.583 -9.540 -13.296 1.00 82.51 146 A 1 ATOM 1179 C C . GLY A 1 146 ? -13.635 -9.193 -12.145 1.00 85.73 146 A 1 ATOM 1180 O O . GLY A 1 146 ? -13.131 -8.070 -12.095 1.00 81.38 146 A 1 ATOM 1181 N N . THR A 1 147 ? -13.435 -10.141 -11.229 1.00 84.69 147 A 1 ATOM 1182 C CA . THR A 1 147 ? -12.375 -10.123 -10.214 1.00 85.02 147 A 1 ATOM 1183 C C . THR A 1 147 ? -11.247 -11.064 -10.630 1.00 86.61 147 A 1 ATOM 1184 O O . THR A 1 147 ? -11.400 -11.811 -11.604 1.00 83.69 147 A 1 ATOM 1185 C CB . THR A 1 147 ? -12.921 -10.548 -8.842 1.00 83.20 147 A 1 ATOM 1186 O OG1 . THR A 1 147 ? -13.297 -11.908 -8.869 1.00 77.02 147 A 1 ATOM 1187 C CG2 . THR A 1 147 ? -14.147 -9.735 -8.431 1.00 77.55 147 A 1 ATOM 1188 N N . CYS A 1 148 ? -10.141 -11.062 -9.896 1.00 86.09 148 A 1 ATOM 1189 C CA . CYS A 1 148 ? -9.222 -12.195 -9.923 1.00 86.74 148 A 1 ATOM 1190 C C . CYS A 1 148 ? -9.954 -13.478 -9.483 1.00 87.45 148 A 1 ATOM 1191 O O . CYS A 1 148 ? -10.928 -13.431 -8.720 1.00 85.20 148 A 1 ATOM 1192 C CB . CYS A 1 148 ? -8.006 -11.917 -9.031 1.00 84.79 148 A 1 ATOM 1193 S SG . CYS A 1 148 ? -7.004 -10.559 -9.704 1.00 80.97 148 A 1 ATOM 1194 N N . ASN A 1 149 ? -9.474 -14.620 -9.961 1.00 86.82 149 A 1 ATOM 1195 C CA . ASN A 1 149 ? -9.957 -15.922 -9.514 1.00 86.76 149 A 1 ATOM 1196 C C . ASN A 1 149 ? -9.287 -16.275 -8.180 1.00 87.69 149 A 1 ATOM 1197 O O . ASN A 1 149 ? -8.237 -16.910 -8.149 1.00 84.72 149 A 1 ATOM 1198 C CB . ASN A 1 149 ? -9.717 -16.963 -10.616 1.00 83.11 149 A 1 ATOM 1199 C CG . ASN A 1 149 ? -10.342 -18.307 -10.270 1.00 81.30 149 A 1 ATOM 1200 O OD1 . ASN A 1 149 ? -10.712 -18.592 -9.146 1.00 74.65 149 A 1 ATOM 1201 N ND2 . ASN A 1 149 ? -10.494 -19.168 -11.253 1.00 73.50 149 A 1 ATOM 1202 N N . PHE A 1 150 ? -9.897 -15.845 -7.083 1.00 85.43 150 A 1 ATOM 1203 C CA . PHE A 1 150 ? -9.313 -16.022 -5.758 1.00 85.56 150 A 1 ATOM 1204 C C . PHE A 1 150 ? -9.082 -17.492 -5.410 1.00 86.87 150 A 1 ATOM 1205 O O . PHE A 1 150 ? -8.033 -17.801 -4.861 1.00 83.57 150 A 1 ATOM 1206 C CB . PHE A 1 150 ? -10.185 -15.344 -4.692 1.00 83.38 150 A 1 ATOM 1207 C CG . PHE A 1 150 ? -10.461 -13.868 -4.907 1.00 84.54 150 A 1 ATOM 1208 C CD1 . PHE A 1 150 ? -9.471 -13.010 -5.423 1.00 80.54 150 A 1 ATOM 1209 C CD2 . PHE A 1 150 ? -11.727 -13.343 -4.590 1.00 78.80 150 A 1 ATOM 1210 C CE1 . PHE A 1 150 ? -9.746 -11.649 -5.635 1.00 77.67 150 A 1 ATOM 1211 C CE2 . PHE A 1 150 ? -12.003 -11.986 -4.794 1.00 78.46 150 A 1 ATOM 1212 C CZ . PHE A 1 150 ? -11.016 -11.136 -5.324 1.00 81.03 150 A 1 ATOM 1213 N N . SER A 1 151 ? -9.989 -18.391 -5.770 1.00 87.23 151 A 1 ATOM 1214 C CA . SER A 1 151 ? -9.824 -19.826 -5.515 1.00 85.06 151 A 1 ATOM 1215 C C . SER A 1 151 ? -8.582 -20.384 -6.211 1.00 86.22 151 A 1 ATOM 1216 O O . SER A 1 151 ? -7.780 -21.053 -5.575 1.00 83.57 151 A 1 ATOM 1217 C CB . SER A 1 151 ? -11.041 -20.620 -5.995 1.00 82.84 151 A 1 ATOM 1218 O OG . SER A 1 151 ? -12.231 -20.120 -5.424 1.00 72.87 151 A 1 ATOM 1219 N N . LEU A 1 152 ? -8.401 -20.068 -7.495 1.00 86.11 152 A 1 ATOM 1220 C CA . LEU A 1 152 ? -7.251 -20.536 -8.265 1.00 85.88 152 A 1 ATOM 1221 C C . LEU A 1 152 ? -5.943 -19.939 -7.739 1.00 86.81 152 A 1 ATOM 1222 O O . LEU A 1 152 ? -4.963 -20.654 -7.555 1.00 84.51 152 A 1 ATOM 1223 C CB . LEU A 1 152 ? -7.477 -20.197 -9.746 1.00 83.76 152 A 1 ATOM 1224 C CG . LEU A 1 152 ? -6.334 -20.641 -10.680 1.00 80.16 152 A 1 ATOM 1225 C CD1 . LEU A 1 152 ? -6.133 -22.156 -10.664 1.00 75.03 152 A 1 ATOM 1226 C CD2 . LEU A 1 152 ? -6.662 -20.208 -12.108 1.00 76.35 152 A 1 ATOM 1227 N N . LEU A 1 153 ? -5.930 -18.637 -7.459 1.00 86.49 153 A 1 ATOM 1228 C CA . LEU A 1 153 ? -4.741 -17.987 -6.911 1.00 84.97 153 A 1 ATOM 1229 C C . LEU A 1 153 ? -4.391 -18.528 -5.518 1.00 86.66 153 A 1 ATOM 1230 O O . LEU A 1 153 ? -3.222 -18.753 -5.238 1.00 85.02 153 A 1 ATOM 1231 C CB . LEU A 1 153 ? -4.927 -16.461 -6.889 1.00 83.47 153 A 1 ATOM 1232 C CG . LEU A 1 153 ? -5.059 -15.788 -8.270 1.00 82.42 153 A 1 ATOM 1233 C CD1 . LEU A 1 153 ? -5.204 -14.281 -8.075 1.00 80.06 153 A 1 ATOM 1234 C CD2 . LEU A 1 153 ? -3.856 -16.042 -9.179 1.00 79.47 153 A 1 ATOM 1235 N N . GLU A 1 154 ? -5.377 -18.793 -4.667 1.00 87.50 154 A 1 ATOM 1236 C CA . GLU A 1 154 ? -5.157 -19.407 -3.351 1.00 85.24 154 A 1 ATOM 1237 C C . GLU A 1 154 ? -4.625 -20.842 -3.442 1.00 86.30 154 A 1 ATOM 1238 O O . GLU A 1 154 ? -3.876 -21.266 -2.558 1.00 84.02 154 A 1 ATOM 1239 C CB . GLU A 1 154 ? -6.458 -19.401 -2.536 1.00 83.27 154 A 1 ATOM 1240 C CG . GLU A 1 154 ? -6.760 -18.020 -1.948 1.00 79.92 154 A 1 ATOM 1241 C CD . GLU A 1 154 ? -8.095 -17.939 -1.199 1.00 80.78 154 A 1 ATOM 1242 O OE1 . GLU A 1 154 ? -8.564 -16.810 -0.948 1.00 72.30 154 A 1 ATOM 1243 O OE2 . GLU A 1 154 ? -8.691 -18.966 -0.800 1.00 77.05 154 A 1 ATOM 1244 N N . GLU A 1 155 ? -4.984 -21.574 -4.488 1.00 87.65 155 A 1 ATOM 1245 C CA . GLU A 1 155 ? -4.449 -22.908 -4.745 1.00 86.01 155 A 1 ATOM 1246 C C . GLU A 1 155 ? -2.980 -22.851 -5.198 1.00 86.13 155 A 1 ATOM 1247 O O . GLU A 1 155 ? -2.151 -23.606 -4.696 1.00 84.07 155 A 1 ATOM 1248 C CB . GLU A 1 155 ? -5.326 -23.590 -5.803 1.00 85.16 155 A 1 ATOM 1249 C CG . GLU A 1 155 ? -5.012 -25.078 -5.985 1.00 76.27 155 A 1 ATOM 1250 C CD . GLU A 1 155 ? -5.674 -25.639 -7.251 1.00 71.27 155 A 1 ATOM 1251 O OE1 . GLU A 1 155 ? -4.984 -26.388 -7.984 1.00 63.18 155 A 1 ATOM 1252 O OE2 . GLU A 1 155 ? -6.832 -25.270 -7.540 1.00 66.78 155 A 1 ATOM 1253 N N . LYS A 1 156 ? -2.644 -21.908 -6.107 1.00 87.97 156 A 1 ATOM 1254 C CA . LYS A 1 156 ? -1.358 -21.903 -6.817 1.00 85.56 156 A 1 ATOM 1255 C C . LYS A 1 156 ? -0.264 -21.045 -6.184 1.00 87.83 156 A 1 ATOM 1256 O O . LYS A 1 156 ? 0.911 -21.358 -6.346 1.00 85.59 156 A 1 ATOM 1257 C CB . LYS A 1 156 ? -1.582 -21.496 -8.280 1.00 82.68 156 A 1 ATOM 1258 C CG . LYS A 1 156 ? -2.484 -22.448 -9.089 1.00 81.58 156 A 1 ATOM 1259 C CD . LYS A 1 156 ? -1.976 -23.890 -9.078 1.00 77.78 156 A 1 ATOM 1260 C CE . LYS A 1 156 ? -2.869 -24.770 -9.949 1.00 73.42 156 A 1 ATOM 1261 N NZ . LYS A 1 156 ? -2.751 -26.191 -9.569 1.00 66.00 156 A 1 ATOM 1262 N N . TYR A 1 157 ? -0.608 -19.985 -5.461 1.00 87.36 157 A 1 ATOM 1263 C CA . TYR A 1 157 ? 0.404 -19.009 -5.026 1.00 86.13 157 A 1 ATOM 1264 C C . TYR A 1 157 ? 1.497 -19.602 -4.127 1.00 87.50 157 A 1 ATOM 1265 O O . TYR A 1 157 ? 2.623 -19.116 -4.134 1.00 84.98 157 A 1 ATOM 1266 C CB . TYR A 1 157 ? -0.254 -17.812 -4.316 1.00 83.60 157 A 1 ATOM 1267 C CG . TYR A 1 157 ? -0.575 -18.020 -2.849 1.00 85.27 157 A 1 ATOM 1268 C CD1 . TYR A 1 157 ? -1.662 -18.820 -2.451 1.00 82.52 157 A 1 ATOM 1269 C CD2 . TYR A 1 157 ? 0.217 -17.403 -1.866 1.00 84.68 157 A 1 ATOM 1270 C CE1 . TYR A 1 157 ? -1.960 -18.996 -1.091 1.00 82.37 157 A 1 ATOM 1271 C CE2 . TYR A 1 157 ? -0.077 -17.571 -0.505 1.00 84.02 157 A 1 ATOM 1272 C CZ . TYR A 1 157 ? -1.168 -18.361 -0.119 1.00 84.62 157 A 1 ATOM 1273 O OH . TYR A 1 157 ? -1.464 -18.505 1.211 1.00 81.35 157 A 1 ATOM 1274 N N . ARG A 1 158 ? 1.174 -20.638 -3.352 1.00 88.07 158 A 1 ATOM 1275 C CA . ARG A 1 158 ? 2.125 -21.287 -2.432 1.00 86.16 158 A 1 ATOM 1276 C C . ARG A 1 158 ? 3.145 -22.173 -3.144 1.00 86.33 158 A 1 ATOM 1277 O O . ARG A 1 158 ? 4.144 -22.520 -2.524 1.00 82.08 158 A 1 ATOM 1278 C CB . ARG A 1 158 ? 1.366 -22.105 -1.382 1.00 82.63 158 A 1 ATOM 1279 C CG . ARG A 1 158 ? 0.609 -21.215 -0.392 1.00 79.60 158 A 1 ATOM 1280 C CD . ARG A 1 158 ? -0.084 -22.098 0.642 1.00 76.83 158 A 1 ATOM 1281 N NE . ARG A 1 158 ? -0.730 -21.294 1.692 1.00 71.42 158 A 1 ATOM 1282 C CZ . ARG A 1 158 ? -1.731 -21.681 2.461 1.00 66.28 158 A 1 ATOM 1283 N NH1 . ARG A 1 158 ? -2.269 -22.863 2.350 1.00 61.93 158 A 1 ATOM 1284 N NH2 . ARG A 1 158 ? -2.207 -20.877 3.363 1.00 59.79 158 A 1 ATOM 1285 N N . ASP A 1 159 ? 2.891 -22.517 -4.394 1.00 87.44 159 A 1 ATOM 1286 C CA . ASP A 1 159 ? 3.783 -23.348 -5.209 1.00 86.32 159 A 1 ATOM 1287 C C . ASP A 1 159 ? 4.806 -22.508 -5.987 1.00 86.95 159 A 1 ATOM 1288 O O . ASP A 1 159 ? 5.661 -23.049 -6.675 1.00 81.82 159 A 1 ATOM 1289 C CB . ASP A 1 159 ? 2.944 -24.279 -6.096 1.00 82.70 159 A 1 ATOM 1290 C CG . ASP A 1 159 ? 2.031 -25.179 -5.253 1.00 78.93 159 A 1 ATOM 1291 O OD1 . ASP A 1 159 ? 2.484 -25.633 -4.166 1.00 72.03 159 A 1 ATOM 1292 O OD2 . ASP A 1 159 ? 0.864 -25.362 -5.655 1.00 73.95 159 A 1 ATOM 1293 N N . PHE A 1 160 ? 4.767 -21.183 -5.829 1.00 85.83 160 A 1 ATOM 1294 C CA . PHE A 1 160 ? 5.763 -20.292 -6.410 1.00 83.69 160 A 1 ATOM 1295 C C . PHE A 1 160 ? 7.179 -20.681 -5.969 1.00 82.65 160 A 1 ATOM 1296 O O . PHE A 1 160 ? 7.459 -20.824 -4.776 1.00 74.32 160 A 1 ATOM 1297 C CB . PHE A 1 160 ? 5.459 -18.841 -6.021 1.00 79.86 160 A 1 ATOM 1298 C CG . PHE A 1 160 ? 6.468 -17.856 -6.569 1.00 82.68 160 A 1 ATOM 1299 C CD1 . PHE A 1 160 ? 7.434 -17.275 -5.729 1.00 81.20 160 A 1 ATOM 1300 C CD2 . PHE A 1 160 ? 6.478 -17.548 -7.942 1.00 81.04 160 A 1 ATOM 1301 C CE1 . PHE A 1 160 ? 8.393 -16.389 -6.253 1.00 80.65 160 A 1 ATOM 1302 C CE2 . PHE A 1 160 ? 7.433 -16.665 -8.471 1.00 82.03 160 A 1 ATOM 1303 C CZ . PHE A 1 160 ? 8.389 -16.084 -7.626 1.00 82.14 160 A 1 ATOM 1304 N N . GLY A 1 161 ? 8.070 -20.831 -6.952 1.00 79.06 161 A 1 ATOM 1305 C CA . GLY A 1 161 ? 9.474 -21.182 -6.747 1.00 76.16 161 A 1 ATOM 1306 C C . GLY A 1 161 ? 9.757 -22.673 -6.549 1.00 76.08 161 A 1 ATOM 1307 O O . GLY A 1 161 ? 10.930 -23.039 -6.585 1.00 69.32 161 A 1 ATOM 1308 N N . LYS A 1 162 ? 8.751 -23.539 -6.388 1.00 74.04 162 A 1 ATOM 1309 C CA . LYS A 1 162 ? 8.984 -24.986 -6.215 1.00 71.20 162 A 1 ATOM 1310 C C . LYS A 1 162 ? 9.380 -25.689 -7.515 1.00 68.93 162 A 1 ATOM 1311 O O . LYS A 1 162 ? 10.293 -26.504 -7.506 1.00 62.18 162 A 1 ATOM 1312 C CB . LYS A 1 162 ? 7.747 -25.669 -5.634 1.00 65.20 162 A 1 ATOM 1313 C CG . LYS A 1 162 ? 7.440 -25.249 -4.192 1.00 60.99 162 A 1 ATOM 1314 C CD . LYS A 1 162 ? 6.216 -26.047 -3.755 1.00 56.14 162 A 1 ATOM 1315 C CE . LYS A 1 162 ? 5.748 -25.679 -2.358 1.00 51.34 162 A 1 ATOM 1316 N NZ . LYS A 1 162 ? 4.398 -26.254 -2.156 1.00 45.71 162 A 1 ATOM 1317 N N . GLU A 1 163 ? 8.733 -25.351 -8.633 1.00 54.44 163 A 1 ATOM 1318 C CA . GLU A 1 163 ? 8.996 -26.015 -9.923 1.00 53.46 163 A 1 ATOM 1319 C C . GLU A 1 163 ? 10.436 -25.820 -10.430 1.00 52.17 163 A 1 ATOM 1320 O O . GLU A 1 163 ? 10.913 -26.602 -11.248 1.00 47.73 163 A 1 ATOM 1321 C CB . GLU A 1 163 ? 8.008 -25.500 -10.983 1.00 48.75 163 A 1 ATOM 1322 C CG . GLU A 1 163 ? 6.552 -25.897 -10.699 1.00 42.81 163 A 1 ATOM 1323 C CD . GLU A 1 163 ? 5.568 -25.476 -11.803 1.00 39.35 163 A 1 ATOM 1324 O OE1 . GLU A 1 163 ? 4.394 -25.909 -11.717 1.00 35.31 163 A 1 ATOM 1325 O OE2 . GLU A 1 163 ? 5.965 -24.706 -12.703 1.00 35.68 163 A 1 ATOM 1326 N N . ALA A 1 164 ? 11.135 -24.804 -9.964 1.00 48.93 164 A 1 ATOM 1327 C CA . ALA A 1 164 ? 12.506 -24.554 -10.392 1.00 47.81 164 A 1 ATOM 1328 C C . ALA A 1 164 ? 13.517 -25.564 -9.812 1.00 47.52 164 A 1 ATOM 1329 O O . ALA A 1 164 ? 14.559 -25.776 -10.427 1.00 45.09 164 A 1 ATOM 1330 C CB . ALA A 1 164 ? 12.873 -23.111 -10.025 1.00 45.27 164 A 1 ATOM 1331 N N . GLU A 1 165 ? 13.245 -26.168 -8.653 1.00 43.11 165 A 1 ATOM 1332 C CA . GLU A 1 165 ? 14.176 -27.133 -8.040 1.00 43.78 165 A 1 ATOM 1333 C C . GLU A 1 165 ? 14.109 -28.512 -8.715 1.00 42.33 165 A 1 ATOM 1334 O O . GLU A 1 165 ? 15.146 -29.132 -8.932 1.00 39.64 165 A 1 ATOM 1335 C CB . GLU A 1 165 ? 13.943 -27.232 -6.517 1.00 43.07 165 A 1 ATOM 1336 C CG . GLU A 1 165 ? 14.395 -25.966 -5.770 1.00 38.58 165 A 1 ATOM 1337 C CD . GLU A 1 165 ? 14.293 -26.046 -4.234 1.00 35.30 165 A 1 ATOM 1338 O OE1 . GLU A 1 165 ? 14.881 -25.160 -3.568 1.00 32.29 165 A 1 ATOM 1339 O OE2 . GLU A 1 165 ? 13.591 -26.934 -3.701 1.00 34.69 165 A 1 ATOM 1340 N N . ASP A 1 166 ? 12.919 -28.964 -9.125 1.00 45.05 166 A 1 ATOM 1341 C CA . ASP A 1 166 ? 12.763 -30.306 -9.707 1.00 44.98 166 A 1 ATOM 1342 C C . ASP A 1 166 ? 13.440 -30.466 -11.080 1.00 42.59 166 A 1 ATOM 1343 O O . ASP A 1 166 ? 13.740 -31.584 -11.502 1.00 39.33 166 A 1 ATOM 1344 C CB . ASP A 1 166 ? 11.268 -30.654 -9.829 1.00 43.14 166 A 1 ATOM 1345 C CG . ASP A 1 166 ? 10.563 -30.997 -8.508 1.00 38.38 166 A 1 ATOM 1346 O OD1 . ASP A 1 166 ? 11.244 -31.382 -7.532 1.00 36.44 166 A 1 ATOM 1347 O OD2 . ASP A 1 166 ? 9.315 -30.899 -8.487 1.00 35.25 166 A 1 ATOM 1348 N N . THR A 1 167 ? 13.666 -29.376 -11.820 1.00 41.51 167 A 1 ATOM 1349 C CA . THR A 1 167 ? 14.261 -29.464 -13.162 1.00 41.22 167 A 1 ATOM 1350 C C . THR A 1 167 ? 15.783 -29.613 -13.167 1.00 39.80 167 A 1 ATOM 1351 O O . THR A 1 167 ? 16.320 -30.056 -14.183 1.00 38.10 167 A 1 ATOM 1352 C CB . THR A 1 167 ? 13.850 -28.298 -14.078 1.00 39.92 167 A 1 ATOM 1353 O OG1 . THR A 1 167 ? 13.741 -27.074 -13.398 1.00 35.75 167 A 1 ATOM 1354 C CG2 . THR A 1 167 ? 12.492 -28.558 -14.730 1.00 36.43 167 A 1 ATOM 1355 N N . GLU A 1 168 ? 16.495 -29.261 -12.104 1.00 36.99 168 A 1 ATOM 1356 C CA . GLU A 1 168 ? 17.966 -29.389 -12.095 1.00 39.83 168 A 1 ATOM 1357 C C . GLU A 1 168 ? 18.466 -30.822 -11.821 1.00 38.48 168 A 1 ATOM 1358 O O . GLU A 1 168 ? 19.563 -31.167 -12.253 1.00 37.23 168 A 1 ATOM 1359 C CB . GLU A 1 168 ? 18.622 -28.391 -11.117 1.00 39.99 168 A 1 ATOM 1360 C CG . GLU A 1 168 ? 18.661 -26.953 -11.654 1.00 36.33 168 A 1 ATOM 1361 C CD . GLU A 1 168 ? 19.582 -25.996 -10.861 1.00 33.56 168 A 1 ATOM 1362 O OE1 . GLU A 1 168 ? 19.806 -24.862 -11.358 1.00 31.03 168 A 1 ATOM 1363 O OE2 . GLU A 1 168 ? 20.071 -26.360 -9.768 1.00 33.47 168 A 1 ATOM 1364 N N . GLU A 1 169 ? 17.683 -31.682 -11.145 1.00 34.72 169 A 1 ATOM 1365 C CA . GLU A 1 169 ? 18.148 -33.048 -10.829 1.00 36.59 169 A 1 ATOM 1366 C C . GLU A 1 169 ? 18.108 -34.026 -12.020 1.00 34.79 169 A 1 ATOM 1367 O O . GLU A 1 169 ? 18.623 -35.141 -11.920 1.00 34.06 169 A 1 ATOM 1368 C CB . GLU A 1 169 ? 17.370 -33.638 -9.639 1.00 37.67 169 A 1 ATOM 1369 C CG . GLU A 1 169 ? 17.729 -33.012 -8.285 1.00 34.28 169 A 1 ATOM 1370 C CD . GLU A 1 169 ? 17.266 -33.857 -7.081 1.00 32.58 169 A 1 ATOM 1371 O OE1 . GLU A 1 169 ? 17.776 -33.607 -5.966 1.00 29.71 169 A 1 ATOM 1372 O OE2 . GLU A 1 169 ? 16.438 -34.780 -7.261 1.00 32.51 169 A 1 ATOM 1373 N N . GLY A 1 170 ? 17.458 -33.648 -13.133 1.00 39.86 170 A 1 ATOM 1374 C CA . GLY A 1 170 ? 17.114 -34.604 -14.188 1.00 40.27 170 A 1 ATOM 1375 C C . GLY A 1 170 ? 18.162 -34.879 -15.269 1.00 39.67 170 A 1 ATOM 1376 O O . GLY A 1 170 ? 17.954 -35.822 -16.039 1.00 37.68 170 A 1 ATOM 1377 N N . GLU A 1 171 ? 19.216 -34.050 -15.403 1.00 28.26 171 A 1 ATOM 1378 C CA . GLU A 1 171 ? 20.283 -34.279 -16.394 1.00 31.80 171 A 1 ATOM 1379 C C . GLU A 1 171 ? 21.429 -35.166 -15.875 1.00 30.25 171 A 1 ATOM 1380 O O . GLU A 1 171 ? 21.900 -34.948 -14.743 1.00 28.10 171 A 1 ATOM 1381 C CB . GLU A 1 171 ? 20.814 -32.967 -17.005 1.00 32.07 171 A 1 ATOM 1382 C CG . GLU A 1 171 ? 19.867 -32.342 -18.050 1.00 31.62 171 A 1 ATOM 1383 C CD . GLU A 1 171 ? 20.522 -31.268 -18.954 1.00 29.97 171 A 1 ATOM 1384 O OE1 . GLU A 1 171 ? 19.936 -30.976 -20.026 1.00 28.19 171 A 1 ATOM 1385 O OE2 . GLU A 1 171 ? 21.617 -30.752 -18.635 1.00 32.05 171 A 1 ATOM 1386 O OXT . GLU A 1 171 ? 21.811 -36.069 -16.659 1.00 33.47 171 A 1 ATOM 1387 N N . MET B 2 1 ? 7.108 5.436 15.974 1.00 80.93 1 B 1 ATOM 1388 C CA . MET B 2 1 ? 6.515 6.673 15.431 1.00 85.84 1 B 1 ATOM 1389 C C . MET B 2 1 ? 7.524 7.366 14.531 1.00 86.34 1 B 1 ATOM 1390 O O . MET B 2 1 ? 8.580 7.783 15.009 1.00 83.14 1 B 1 ATOM 1391 C CB . MET B 2 1 ? 6.059 7.608 16.557 1.00 82.18 1 B 1 ATOM 1392 C CG . MET B 2 1 ? 5.398 8.895 16.039 1.00 80.41 1 B 1 ATOM 1393 S SD . MET B 2 1 ? 4.974 10.105 17.332 1.00 78.72 1 B 1 ATOM 1394 C CE . MET B 2 1 ? 3.647 9.230 18.193 1.00 71.98 1 B 1 ATOM 1395 N N . HIS B 2 2 ? 7.179 7.519 13.262 1.00 87.08 2 B 1 ATOM 1396 C CA . HIS B 2 2 ? 7.958 8.256 12.274 1.00 88.10 2 B 1 ATOM 1397 C C . HIS B 2 2 ? 7.435 9.686 12.156 1.00 90.23 2 B 1 ATOM 1398 O O . HIS B 2 2 ? 6.238 9.942 12.279 1.00 88.42 2 B 1 ATOM 1399 C CB . HIS B 2 2 ? 7.950 7.509 10.937 1.00 83.79 2 B 1 ATOM 1400 C CG . HIS B 2 2 ? 8.556 6.137 11.053 1.00 74.76 2 B 1 ATOM 1401 N ND1 . HIS B 2 2 ? 9.905 5.834 11.047 1.00 64.91 2 B 1 ATOM 1402 C CD2 . HIS B 2 2 ? 7.890 4.955 11.261 1.00 64.09 2 B 1 ATOM 1403 C CE1 . HIS B 2 2 ? 10.041 4.514 11.237 1.00 60.07 2 B 1 ATOM 1404 N NE2 . HIS B 2 2 ? 8.838 3.948 11.379 1.00 60.96 2 B 1 ATOM 1405 N N . ILE B 2 3 ? 8.340 10.642 11.962 1.00 90.15 3 B 1 ATOM 1406 C CA . ILE B 2 3 ? 8.005 12.065 11.867 1.00 90.83 3 B 1 ATOM 1407 C C . ILE B 2 3 ? 8.578 12.611 10.569 1.00 91.30 3 B 1 ATOM 1408 O O . ILE B 2 3 ? 9.779 12.495 10.330 1.00 89.12 3 B 1 ATOM 1409 C CB . ILE B 2 3 ? 8.515 12.862 13.086 1.00 89.01 3 B 1 ATOM 1410 C CG1 . ILE B 2 3 ? 7.993 12.235 14.403 1.00 77.55 3 B 1 ATOM 1411 C CG2 . ILE B 2 3 ? 8.111 14.336 12.951 1.00 74.63 3 B 1 ATOM 1412 C CD1 . ILE B 2 3 ? 8.298 13.058 15.660 1.00 71.60 3 B 1 ATOM 1413 N N . VAL B 2 4 ? 7.723 13.254 9.773 1.00 91.62 4 B 1 ATOM 1414 C CA . VAL B 2 4 ? 8.117 13.892 8.516 1.00 91.47 4 B 1 ATOM 1415 C C . VAL B 2 4 ? 7.610 15.326 8.518 1.00 92.34 4 B 1 ATOM 1416 O O . VAL B 2 4 ? 6.466 15.584 8.879 1.00 91.17 4 B 1 ATOM 1417 C CB . VAL B 2 4 ? 7.589 13.105 7.303 1.00 89.19 4 B 1 ATOM 1418 C CG1 . VAL B 2 4 ? 8.128 13.697 5.999 1.00 81.40 4 B 1 ATOM 1419 C CG2 . VAL B 2 4 ? 8.020 11.630 7.357 1.00 82.55 4 B 1 ATOM 1420 N N . LEU B 2 5 ? 8.458 16.263 8.109 1.00 90.67 5 B 1 ATOM 1421 C CA . LEU B 2 5 ? 8.082 17.662 7.951 1.00 90.83 5 B 1 ATOM 1422 C C . LEU B 2 5 ? 8.051 18.014 6.463 1.00 90.49 5 B 1 ATOM 1423 O O . LEU B 2 5 ? 9.084 17.984 5.796 1.00 88.79 5 B 1 ATOM 1424 C CB . LEU B 2 5 ? 9.058 18.544 8.749 1.00 90.31 5 B 1 ATOM 1425 C CG . LEU B 2 5 ? 8.740 20.052 8.663 1.00 89.08 5 B 1 ATOM 1426 C CD1 . LEU B 2 5 ? 7.395 20.398 9.303 1.00 86.49 5 B 1 ATOM 1427 C CD2 . LEU B 2 5 ? 9.832 20.841 9.386 1.00 86.37 5 B 1 ATOM 1428 N N . PHE B 2 6 ? 6.874 18.380 5.969 1.00 89.64 6 B 1 ATOM 1429 C CA . PHE B 2 6 ? 6.696 18.879 4.613 1.00 89.35 6 B 1 ATOM 1430 C C . PHE B 2 6 ? 6.748 20.402 4.605 1.00 89.60 6 B 1 ATOM 1431 O O . PHE B 2 6 ? 6.122 21.071 5.428 1.00 87.86 6 B 1 ATOM 1432 C CB . PHE B 2 6 ? 5.396 18.342 4.015 1.00 87.91 6 B 1 ATOM 1433 C CG . PHE B 2 6 ? 5.439 16.846 3.794 1.00 87.11 6 B 1 ATOM 1434 C CD1 . PHE B 2 6 ? 6.081 16.321 2.658 1.00 84.65 6 B 1 ATOM 1435 C CD2 . PHE B 2 6 ? 4.874 15.971 4.736 1.00 84.52 6 B 1 ATOM 1436 C CE1 . PHE B 2 6 ? 6.148 14.935 2.460 1.00 82.92 6 B 1 ATOM 1437 C CE2 . PHE B 2 6 ? 4.941 14.580 4.543 1.00 82.73 6 B 1 ATOM 1438 C CZ . PHE B 2 6 ? 5.579 14.064 3.403 1.00 83.73 6 B 1 ATOM 1439 N N . LYS B 2 7 ? 7.505 20.947 3.639 1.00 87.08 7 B 1 ATOM 1440 C CA . LYS B 2 7 ? 7.475 22.376 3.328 1.00 86.30 7 B 1 ATOM 1441 C C . LYS B 2 7 ? 6.197 22.683 2.546 1.00 85.72 7 B 1 ATOM 1442 O O . LYS B 2 7 ? 5.733 21.798 1.821 1.00 82.43 7 B 1 ATOM 1443 C CB . LYS B 2 7 ? 8.715 22.778 2.520 1.00 83.56 7 B 1 ATOM 1444 C CG . LYS B 2 7 ? 10.021 22.613 3.314 1.00 75.63 7 B 1 ATOM 1445 C CD . LYS B 2 7 ? 11.211 23.078 2.475 1.00 74.72 7 B 1 ATOM 1446 C CE . LYS B 2 7 ? 12.525 22.901 3.237 1.00 66.06 7 B 1 ATOM 1447 N NZ . LYS B 2 7 ? 13.692 23.329 2.414 1.00 60.01 7 B 1 ATOM 1448 N N . PRO B 2 8 ? 5.665 23.918 2.637 1.00 85.13 8 B 1 ATOM 1449 C CA . PRO B 2 8 ? 4.672 24.390 1.684 1.00 82.42 8 B 1 ATOM 1450 C C . PRO B 2 8 ? 5.208 24.155 0.278 1.00 80.03 8 B 1 ATOM 1451 O O . PRO B 2 8 ? 6.326 24.566 -0.051 1.00 73.90 8 B 1 ATOM 1452 C CB . PRO B 2 8 ? 4.465 25.882 1.973 1.00 80.44 8 B 1 ATOM 1453 C CG . PRO B 2 8 ? 4.978 26.054 3.400 1.00 79.88 8 B 1 ATOM 1454 C CD . PRO B 2 8 ? 6.067 24.990 3.522 1.00 83.69 8 B 1 ATOM 1455 N N . THR B 2 9 ? 4.460 23.422 -0.516 1.00 73.89 9 B 1 ATOM 1456 C CA . THR B 2 9 ? 4.860 23.141 -1.887 1.00 69.58 9 B 1 ATOM 1457 C C . THR B 2 9 ? 3.770 23.714 -2.764 1.00 68.85 9 B 1 ATOM 1458 O O . THR B 2 9 ? 2.638 23.233 -2.673 1.00 62.34 9 B 1 ATOM 1459 C CB . THR B 2 9 ? 5.071 21.638 -2.169 1.00 63.23 9 B 1 ATOM 1460 O OG1 . THR B 2 9 ? 5.405 20.909 -1.008 1.00 55.06 9 B 1 ATOM 1461 C CG2 . THR B 2 9 ? 6.224 21.440 -3.148 1.00 53.44 9 B 1 ATOM 1462 N N . PRO B 2 10 ? 4.067 24.736 -3.598 1.00 66.59 10 B 1 ATOM 1463 C CA . PRO B 2 10 ? 3.150 25.132 -4.647 1.00 63.18 10 B 1 ATOM 1464 C C . PRO B 2 10 ? 3.000 23.914 -5.554 1.00 61.62 10 B 1 ATOM 1465 O O . PRO B 2 10 ? 3.890 23.568 -6.330 1.00 56.41 10 B 1 ATOM 1466 C CB . PRO B 2 10 ? 3.783 26.355 -5.320 1.00 59.25 10 B 1 ATOM 1467 C CG . PRO B 2 10 ? 5.277 26.193 -5.056 1.00 56.48 10 B 1 ATOM 1468 C CD . PRO B 2 10 ? 5.334 25.441 -3.727 1.00 58.01 10 B 1 ATOM 1469 N N . TYR B 2 11 ? 1.904 23.189 -5.362 1.00 54.92 11 B 1 ATOM 1470 C CA . TYR B 2 11 ? 1.628 22.050 -6.211 1.00 53.81 11 B 1 ATOM 1471 C C . TYR B 2 11 ? 1.255 22.634 -7.564 1.00 54.91 11 B 1 ATOM 1472 O O . TYR B 2 11 ? 0.170 23.185 -7.719 1.00 51.25 11 B 1 ATOM 1473 C CB . TYR B 2 11 ? 0.551 21.154 -5.583 1.00 49.26 11 B 1 ATOM 1474 C CG . TYR B 2 11 ? 0.751 19.682 -5.868 1.00 45.08 11 B 1 ATOM 1475 C CD1 . TYR B 2 11 ? 0.340 19.106 -7.082 1.00 41.60 11 B 1 ATOM 1476 C CD2 . TYR B 2 11 ? 1.354 18.866 -4.888 1.00 40.04 11 B 1 ATOM 1477 C CE1 . TYR B 2 11 ? 0.505 17.725 -7.307 1.00 36.87 11 B 1 ATOM 1478 C CE2 . TYR B 2 11 ? 1.521 17.488 -5.107 1.00 37.28 11 B 1 ATOM 1479 C CZ . TYR B 2 11 ? 1.086 16.915 -6.313 1.00 36.61 11 B 1 ATOM 1480 O OH . TYR B 2 11 ? 1.216 15.562 -6.516 1.00 34.05 11 B 1 ATOM 1481 N N . ASN B 2 12 ? 2.156 22.523 -8.546 1.00 53.71 12 B 1 ATOM 1482 C CA . ASN B 2 12 ? 1.786 22.699 -9.943 1.00 53.54 12 B 1 ATOM 1483 C C . ASN B 2 12 ? 0.831 21.560 -10.290 1.00 54.22 12 B 1 ATOM 1484 O O . ASN B 2 12 ? 1.232 20.520 -10.808 1.00 50.52 12 B 1 ATOM 1485 C CB . ASN B 2 12 ? 3.040 22.748 -10.841 1.00 48.93 12 B 1 ATOM 1486 C CG . ASN B 2 12 ? 3.592 24.155 -11.016 1.00 44.07 12 B 1 ATOM 1487 O OD1 . ASN B 2 12 ? 2.926 25.146 -10.811 1.00 41.05 12 B 1 ATOM 1488 N ND2 . ASN B 2 12 ? 4.825 24.275 -11.457 1.00 39.29 12 B 1 ATOM 1489 N N . VAL B 2 13 ? -0.442 21.741 -9.931 1.00 51.44 13 B 1 ATOM 1490 C CA . VAL B 2 13 ? -1.523 20.851 -10.317 1.00 51.32 13 B 1 ATOM 1491 C C . VAL B 2 13 ? -1.565 20.933 -11.832 1.00 52.11 13 B 1 ATOM 1492 O O . VAL B 2 13 ? -2.068 21.900 -12.395 1.00 49.04 13 B 1 ATOM 1493 C CB . VAL B 2 13 ? -2.872 21.253 -9.681 1.00 47.65 13 B 1 ATOM 1494 C CG1 . VAL B 2 13 ? -3.939 20.202 -9.990 1.00 43.42 13 B 1 ATOM 1495 C CG2 . VAL B 2 13 ? -2.784 21.385 -8.152 1.00 42.87 13 B 1 ATOM 1496 N N . ARG B 2 14 ? -1.010 19.930 -12.520 1.00 50.57 14 B 1 ATOM 1497 C CA . ARG B 2 14 ? -1.321 19.758 -13.937 1.00 50.84 14 B 1 ATOM 1498 C C . ARG B 2 14 ? -2.844 19.713 -14.021 1.00 51.31 14 B 1 ATOM 1499 O O . ARG B 2 14 ? -3.448 18.849 -13.386 1.00 47.46 14 B 1 ATOM 1500 C CB . ARG B 2 14 ? -0.693 18.478 -14.519 1.00 46.43 14 B 1 ATOM 1501 C CG . ARG B 2 14 ? 0.792 18.640 -14.881 1.00 41.96 14 B 1 ATOM 1502 C CD . ARG B 2 14 ? 1.303 17.374 -15.588 1.00 39.11 14 B 1 ATOM 1503 N NE . ARG B 2 14 ? 2.701 17.512 -16.052 1.00 35.53 14 B 1 ATOM 1504 C CZ . ARG B 2 14 ? 3.399 16.615 -16.754 1.00 32.67 14 B 1 ATOM 1505 N NH1 . ARG B 2 14 ? 2.890 15.462 -17.095 1.00 31.20 14 B 1 ATOM 1506 N NH2 . ARG B 2 14 ? 4.626 16.870 -17.123 1.00 29.11 14 B 1 ATOM 1507 N N . LYS B 2 15 ? -3.462 20.631 -14.793 1.00 44.91 15 B 1 ATOM 1508 C CA . LYS B 2 15 ? -4.920 20.865 -14.890 1.00 44.70 15 B 1 ATOM 1509 C C . LYS B 2 15 ? -5.772 19.586 -14.932 1.00 46.03 15 B 1 ATOM 1510 O O . LYS B 2 15 ? -6.844 19.552 -14.342 1.00 42.52 15 B 1 ATOM 1511 C CB . LYS B 2 15 ? -5.235 21.685 -16.156 1.00 40.95 15 B 1 ATOM 1512 C CG . LYS B 2 15 ? -4.944 23.188 -16.042 1.00 36.70 15 B 1 ATOM 1513 C CD . LYS B 2 15 ? -5.379 23.907 -17.328 1.00 34.06 15 B 1 ATOM 1514 C CE . LYS B 2 15 ? -5.217 25.428 -17.210 1.00 29.19 15 B 1 ATOM 1515 N NZ . LYS B 2 15 ? -5.601 26.145 -18.455 1.00 25.89 15 B 1 ATOM 1516 N N . ASN B 2 16 ? -5.303 18.554 -15.648 1.00 46.80 16 B 1 ATOM 1517 C CA . ASN B 2 16 ? -6.055 17.316 -15.871 1.00 46.87 16 B 1 ATOM 1518 C C . ASN B 2 16 ? -6.013 16.315 -14.706 1.00 48.57 16 B 1 ATOM 1519 O O . ASN B 2 16 ? -6.796 15.360 -14.710 1.00 45.23 16 B 1 ATOM 1520 C CB . ASN B 2 16 ? -5.545 16.667 -17.163 1.00 42.28 16 B 1 ATOM 1521 C CG . ASN B 2 16 ? -6.012 17.399 -18.410 1.00 37.35 16 B 1 ATOM 1522 O OD1 . ASN B 2 16 ? -6.885 18.241 -18.388 1.00 35.19 16 B 1 ATOM 1523 N ND2 . ASN B 2 16 ? -5.438 17.077 -19.550 1.00 33.61 16 B 1 ATOM 1524 N N . THR B 2 17 ? -5.121 16.478 -13.754 1.00 49.80 17 B 1 ATOM 1525 C CA . THR B 2 17 ? -5.071 15.585 -12.599 1.00 49.75 17 B 1 ATOM 1526 C C . THR B 2 17 ? -6.156 16.035 -11.631 1.00 49.89 17 B 1 ATOM 1527 O O . THR B 2 17 ? -6.056 17.098 -11.032 1.00 47.49 17 B 1 ATOM 1528 C CB . THR B 2 17 ? -3.683 15.552 -11.925 1.00 46.78 17 B 1 ATOM 1529 O OG1 . THR B 2 17 ? -2.653 15.908 -12.820 1.00 43.19 17 B 1 ATOM 1530 C CG2 . THR B 2 17 ? -3.356 14.146 -11.431 1.00 41.90 17 B 1 ATOM 1531 N N . GLN B 2 18 ? -7.213 15.212 -11.497 1.00 48.67 18 B 1 ATOM 1532 C CA . GLN B 2 18 ? -8.316 15.472 -10.553 1.00 48.84 18 B 1 ATOM 1533 C C . GLN B 2 18 ? -7.868 15.544 -9.083 1.00 50.20 18 B 1 ATOM 1534 O O . GLN B 2 18 ? -8.642 15.981 -8.235 1.00 47.42 18 B 1 ATOM 1535 C CB . GLN B 2 18 ? -9.392 14.390 -10.689 1.00 45.40 18 B 1 ATOM 1536 C CG . GLN B 2 18 ? -10.233 14.539 -11.960 1.00 40.78 18 B 1 ATOM 1537 C CD . GLN B 2 18 ? -11.414 13.568 -11.962 1.00 37.73 18 B 1 ATOM 1538 O OE1 . GLN B 2 18 ? -11.447 12.572 -11.266 1.00 35.83 18 B 1 ATOM 1539 N NE2 . GLN B 2 18 ? -12.431 13.831 -12.747 1.00 34.51 18 B 1 ATOM 1540 N N . PHE B 2 19 ? -6.632 15.176 -8.793 1.00 53.46 19 B 1 ATOM 1541 C CA . PHE B 2 19 ? -6.002 15.580 -7.556 1.00 52.71 19 B 1 ATOM 1542 C C . PHE B 2 19 ? -5.943 17.113 -7.525 1.00 53.23 19 B 1 ATOM 1543 O O . PHE B 2 19 ? -4.982 17.720 -7.984 1.00 50.82 19 B 1 ATOM 1544 C CB . PHE B 2 19 ? -4.590 15.005 -7.449 1.00 49.26 19 B 1 ATOM 1545 C CG . PHE B 2 19 ? -4.482 13.542 -7.157 1.00 47.27 19 B 1 ATOM 1546 C CD1 . PHE B 2 19 ? -4.706 13.081 -5.852 1.00 45.07 19 B 1 ATOM 1547 C CD2 . PHE B 2 19 ? -3.984 12.672 -8.139 1.00 43.87 19 B 1 ATOM 1548 C CE1 . PHE B 2 19 ? -4.378 11.759 -5.514 1.00 42.06 19 B 1 ATOM 1549 C CE2 . PHE B 2 19 ? -3.652 11.348 -7.800 1.00 41.51 19 B 1 ATOM 1550 C CZ . PHE B 2 19 ? -3.830 10.892 -6.479 1.00 40.71 19 B 1 ATOM 1551 N N . LYS B 2 20 ? -6.946 17.723 -6.896 1.00 51.90 20 B 1 ATOM 1552 C CA . LYS B 2 20 ? -6.680 18.936 -6.135 1.00 51.36 20 B 1 ATOM 1553 C C . LYS B 2 20 ? -5.763 18.523 -4.980 1.00 51.50 20 B 1 ATOM 1554 O O . LYS B 2 20 ? -6.179 18.450 -3.832 1.00 48.91 20 B 1 ATOM 1555 C CB . LYS B 2 20 ? -7.975 19.594 -5.638 1.00 48.28 20 B 1 ATOM 1556 C CG . LYS B 2 20 ? -8.773 20.303 -6.740 1.00 44.43 20 B 1 ATOM 1557 C CD . LYS B 2 20 ? -9.983 20.996 -6.097 1.00 42.29 20 B 1 ATOM 1558 C CE . LYS B 2 20 ? -10.822 21.753 -7.126 1.00 37.54 20 B 1 ATOM 1559 N NZ . LYS B 2 20 ? -11.996 22.400 -6.490 1.00 34.55 20 B 1 ATOM 1560 N N . ALA B 2 21 ? -4.535 18.152 -5.311 1.00 50.93 21 B 1 ATOM 1561 C CA . ALA B 2 21 ? -3.496 18.059 -4.314 1.00 49.85 21 B 1 ATOM 1562 C C . ALA B 2 21 ? -3.446 19.461 -3.719 1.00 51.02 21 B 1 ATOM 1563 O O . ALA B 2 21 ? -3.068 20.409 -4.400 1.00 48.33 21 B 1 ATOM 1564 C CB . ALA B 2 21 ? -2.201 17.619 -4.973 1.00 45.92 21 B 1 ATOM 1565 N N . LEU B 2 22 ? -3.998 19.565 -2.507 1.00 53.48 22 B 1 ATOM 1566 C CA . LEU B 2 22 ? -4.146 20.835 -1.825 1.00 52.71 22 B 1 ATOM 1567 C C . LEU B 2 22 ? -2.801 21.540 -1.904 1.00 54.21 22 B 1 ATOM 1568 O O . LEU B 2 22 ? -1.793 20.991 -1.449 1.00 51.07 22 B 1 ATOM 1569 C CB . LEU B 2 22 ? -4.548 20.577 -0.368 1.00 47.66 22 B 1 ATOM 1570 C CG . LEU B 2 22 ? -6.062 20.349 -0.189 1.00 43.16 22 B 1 ATOM 1571 C CD1 . LEU B 2 22 ? -6.337 19.397 0.959 1.00 40.12 22 B 1 ATOM 1572 C CD2 . LEU B 2 22 ? -6.773 21.675 0.110 1.00 38.67 22 B 1 ATOM 1573 N N . ILE B 2 23 ? -2.817 22.723 -2.506 1.00 57.43 23 B 1 ATOM 1574 C CA . ILE B 2 23 ? -1.730 23.680 -2.359 1.00 57.24 23 B 1 ATOM 1575 C C . ILE B 2 23 ? -1.584 23.837 -0.852 1.00 58.77 23 B 1 ATOM 1576 O O . ILE B 2 23 ? -2.451 24.393 -0.180 1.00 55.72 23 B 1 ATOM 1577 C CB . ILE B 2 23 ? -2.053 25.001 -3.089 1.00 52.30 23 B 1 ATOM 1578 C CG1 . ILE B 2 23 ? -2.292 24.753 -4.603 1.00 46.94 23 B 1 ATOM 1579 C CG2 . ILE B 2 23 ? -0.901 25.998 -2.874 1.00 45.46 23 B 1 ATOM 1580 C CD1 . ILE B 2 23 ? -2.766 25.994 -5.375 1.00 41.85 23 B 1 ATOM 1581 N N . ALA B 2 24 ? -0.572 23.178 -0.297 1.00 65.43 24 B 1 ATOM 1582 C CA . ALA B 2 24 ? -0.329 23.260 1.124 1.00 66.76 24 B 1 ATOM 1583 C C . ALA B 2 24 ? 0.436 24.555 1.340 1.00 70.65 24 B 1 ATOM 1584 O O . ALA B 2 24 ? 1.661 24.564 1.328 1.00 67.69 24 B 1 ATOM 1585 C CB . ALA B 2 24 ? 0.405 22.008 1.615 1.00 61.13 24 B 1 ATOM 1586 N N . ASP B 2 25 ? -0.309 25.634 1.550 1.00 73.67 25 B 1 ATOM 1587 C CA . ASP B 2 25 ? 0.259 26.942 1.906 1.00 74.92 25 B 1 ATOM 1588 C C . ASP B 2 25 ? 0.898 26.930 3.299 1.00 78.78 25 B 1 ATOM 1589 O O . ASP B 2 25 ? 1.549 27.878 3.730 1.00 74.70 25 B 1 ATOM 1590 C CB . ASP B 2 25 ? -0.847 28.003 1.833 1.00 68.81 25 B 1 ATOM 1591 C CG . ASP B 2 25 ? -1.465 28.113 0.437 1.00 61.23 25 B 1 ATOM 1592 O OD1 . ASP B 2 25 ? -0.735 27.841 -0.545 1.00 53.36 25 B 1 ATOM 1593 O OD2 . ASP B 2 25 ? -2.671 28.425 0.382 1.00 54.56 25 B 1 ATOM 1594 N N . THR B 2 26 ? 0.729 25.811 4.009 1.00 84.06 26 B 1 ATOM 1595 C CA . THR B 2 26 ? 1.223 25.639 5.369 1.00 83.93 26 B 1 ATOM 1596 C C . THR B 2 26 ? 2.298 24.561 5.441 1.00 85.14 26 B 1 ATOM 1597 O O . THR B 2 26 ? 2.318 23.600 4.665 1.00 82.76 26 B 1 ATOM 1598 C CB . THR B 2 26 ? 0.076 25.338 6.344 1.00 80.57 26 B 1 ATOM 1599 O OG1 . THR B 2 26 ? -0.613 24.159 5.982 1.00 72.72 26 B 1 ATOM 1600 C CG2 . THR B 2 26 ? -0.950 26.471 6.391 1.00 70.64 26 B 1 ATOM 1601 N N . TRP B 2 27 ? 3.179 24.694 6.409 1.00 89.69 27 B 1 ATOM 1602 C CA . TRP B 2 27 ? 4.042 23.600 6.827 1.00 90.89 27 B 1 ATOM 1603 C C . TRP B 2 27 ? 3.182 22.495 7.437 1.00 91.21 27 B 1 ATOM 1604 O O . TRP B 2 27 ? 2.303 22.765 8.253 1.00 89.23 27 B 1 ATOM 1605 C CB . TRP B 2 27 ? 5.076 24.098 7.833 1.00 90.60 27 B 1 ATOM 1606 C CG . TRP B 2 27 ? 6.132 24.985 7.261 1.00 90.12 27 B 1 ATOM 1607 C CD1 . TRP B 2 27 ? 5.974 26.285 6.919 1.00 86.88 27 B 1 ATOM 1608 C CD2 . TRP B 2 27 ? 7.513 24.639 6.945 1.00 89.35 27 B 1 ATOM 1609 N NE1 . TRP B 2 27 ? 7.172 26.779 6.410 1.00 87.29 27 B 1 ATOM 1610 C CE2 . TRP B 2 27 ? 8.144 25.800 6.413 1.00 88.70 27 B 1 ATOM 1611 C CE3 . TRP B 2 27 ? 8.284 23.463 7.060 1.00 87.93 27 B 1 ATOM 1612 C CZ2 . TRP B 2 27 ? 9.495 25.795 6.004 1.00 87.76 27 B 1 ATOM 1613 C CZ3 . TRP B 2 27 ? 9.628 23.458 6.655 1.00 85.35 27 B 1 ATOM 1614 C CH2 . TRP B 2 27 ? 10.228 24.614 6.127 1.00 85.67 27 B 1 ATOM 1615 N N . GLU B 2 28 ? 3.459 21.249 7.082 1.00 90.61 28 B 1 ATOM 1616 C CA . GLU B 2 28 ? 2.754 20.103 7.647 1.00 90.42 28 B 1 ATOM 1617 C C . GLU B 2 28 ? 3.735 19.155 8.322 1.00 91.23 28 B 1 ATOM 1618 O O . GLU B 2 28 ? 4.653 18.623 7.697 1.00 89.56 28 B 1 ATOM 1619 C CB . GLU B 2 28 ? 1.922 19.382 6.582 1.00 87.75 28 B 1 ATOM 1620 C CG . GLU B 2 28 ? 0.696 20.202 6.166 1.00 79.37 28 B 1 ATOM 1621 C CD . GLU B 2 28 ? -0.181 19.476 5.140 1.00 79.59 28 B 1 ATOM 1622 O OE1 . GLU B 2 28 ? -1.276 19.978 4.801 1.00 73.11 28 B 1 ATOM 1623 O OE2 . GLU B 2 28 ? 0.236 18.425 4.594 1.00 74.31 28 B 1 ATOM 1624 N N . LEU B 2 29 ? 3.528 18.941 9.613 1.00 91.99 29 B 1 ATOM 1625 C CA . LEU B 2 29 ? 4.181 17.881 10.362 1.00 92.52 29 B 1 ATOM 1626 C C . LEU B 2 29 ? 3.294 16.639 10.290 1.00 92.91 29 B 1 ATOM 1627 O O . LEU B 2 29 ? 2.159 16.660 10.761 1.00 91.98 29 B 1 ATOM 1628 C CB . LEU B 2 29 ? 4.407 18.355 11.804 1.00 92.24 29 B 1 ATOM 1629 C CG . LEU B 2 29 ? 5.160 17.336 12.679 1.00 90.76 29 B 1 ATOM 1630 C CD1 . LEU B 2 29 ? 6.623 17.206 12.247 1.00 87.48 29 B 1 ATOM 1631 C CD2 . LEU B 2 29 ? 5.136 17.796 14.137 1.00 87.08 29 B 1 ATOM 1632 N N . VAL B 2 30 ? 3.827 15.565 9.723 1.00 92.59 30 B 1 ATOM 1633 C CA . VAL B 2 30 ? 3.156 14.268 9.645 1.00 92.55 30 B 1 ATOM 1634 C C . VAL B 2 30 ? 3.738 13.349 10.706 1.00 92.91 30 B 1 ATOM 1635 O O . VAL B 2 30 ? 4.954 13.169 10.781 1.00 91.93 30 B 1 ATOM 1636 C CB . VAL B 2 30 ? 3.266 13.658 8.238 1.00 91.24 30 B 1 ATOM 1637 C CG1 . VAL B 2 30 ? 2.492 12.341 8.144 1.00 86.50 30 B 1 ATOM 1638 C CG2 . VAL B 2 30 ? 2.712 14.626 7.187 1.00 86.87 30 B 1 ATOM 1639 N N . LEU B 2 31 ? 2.861 12.764 11.514 1.00 92.76 31 B 1 ATOM 1640 C CA . LEU B 2 31 ? 3.192 11.731 12.485 1.00 92.69 31 B 1 ATOM 1641 C C . LEU B 2 31 ? 2.618 10.406 11.993 1.00 92.88 31 B 1 ATOM 1642 O O . LEU B 2 31 ? 1.403 10.230 11.976 1.00 91.69 31 B 1 ATOM 1643 C CB . LEU B 2 31 ? 2.627 12.098 13.868 1.00 91.89 31 B 1 ATOM 1644 C CG . LEU B 2 31 ? 3.058 13.469 14.421 1.00 87.84 31 B 1 ATOM 1645 C CD1 . LEU B 2 31 ? 2.429 13.687 15.797 1.00 81.52 31 B 1 ATOM 1646 C CD2 . LEU B 2 31 ? 4.570 13.575 14.597 1.00 80.63 31 B 1 ATOM 1647 N N . ASP B 2 32 ? 3.489 9.484 11.603 1.00 91.76 32 B 1 ATOM 1648 C CA . ASP B 2 32 ? 3.108 8.107 11.291 1.00 91.47 32 B 1 ATOM 1649 C C . ASP B 2 32 ? 3.285 7.250 12.551 1.00 91.47 32 B 1 ATOM 1650 O O . ASP B 2 32 ? 4.402 7.029 13.026 1.00 89.68 32 B 1 ATOM 1651 C CB . ASP B 2 32 ? 3.924 7.598 10.091 1.00 89.82 32 B 1 ATOM 1652 C CG . ASP B 2 32 ? 3.619 6.145 9.714 1.00 88.24 32 B 1 ATOM 1653 O OD1 . ASP B 2 32 ? 2.721 5.518 10.322 1.00 83.27 32 B 1 ATOM 1654 O OD2 . ASP B 2 32 ? 4.280 5.640 8.785 1.00 83.11 32 B 1 ATOM 1655 N N . ILE B 2 33 ? 2.161 6.819 13.101 1.00 90.41 33 B 1 ATOM 1656 C CA . ILE B 2 33 ? 2.085 5.974 14.287 1.00 90.05 33 B 1 ATOM 1657 C C . ILE B 2 33 ? 1.615 4.593 13.826 1.00 89.43 33 B 1 ATOM 1658 O O . ILE B 2 33 ? 0.429 4.431 13.528 1.00 87.51 33 B 1 ATOM 1659 C CB . ILE B 2 33 ? 1.158 6.580 15.360 1.00 89.39 33 B 1 ATOM 1660 C CG1 . ILE B 2 33 ? 1.459 8.082 15.602 1.00 87.35 33 B 1 ATOM 1661 C CG2 . ILE B 2 33 ? 1.324 5.767 16.652 1.00 87.00 33 B 1 ATOM 1662 C CD1 . ILE B 2 33 ? 0.531 8.755 16.622 1.00 83.27 33 B 1 ATOM 1663 N N . PRO B 2 34 ? 2.521 3.608 13.716 1.00 88.11 34 B 1 ATOM 1664 C CA . PRO B 2 34 ? 2.167 2.280 13.226 1.00 86.75 34 B 1 ATOM 1665 C C . PRO B 2 34 ? 1.276 1.529 14.225 1.00 86.79 34 B 1 ATOM 1666 O O . PRO B 2 34 ? 1.150 1.927 15.385 1.00 84.07 34 B 1 ATOM 1667 C CB . PRO B 2 34 ? 3.510 1.588 12.975 1.00 84.11 34 B 1 ATOM 1668 C CG . PRO B 2 34 ? 4.423 2.201 14.033 1.00 82.10 34 B 1 ATOM 1669 C CD . PRO B 2 34 ? 3.935 3.645 14.088 1.00 85.24 34 B 1 ATOM 1670 N N . ALA B 2 35 ? 0.670 0.435 13.761 1.00 84.51 35 B 1 ATOM 1671 C CA . ALA B 2 35 ? -0.242 -0.387 14.557 1.00 83.40 35 B 1 ATOM 1672 C C . ALA B 2 35 ? 0.410 -0.928 15.841 1.00 83.98 35 B 1 ATOM 1673 O O . ALA B 2 35 ? -0.245 -1.028 16.874 1.00 80.82 35 B 1 ATOM 1674 C CB . ALA B 2 35 ? -0.746 -1.530 13.672 1.00 80.75 35 B 1 ATOM 1675 N N . GLU B 2 36 ? 1.708 -1.184 15.801 1.00 83.19 36 B 1 ATOM 1676 C CA . GLU B 2 36 ? 2.491 -1.645 16.951 1.00 82.10 36 B 1 ATOM 1677 C C . GLU B 2 36 ? 2.497 -0.615 18.100 1.00 83.13 36 B 1 ATOM 1678 O O . GLU B 2 36 ? 2.537 -0.970 19.285 1.00 81.27 36 B 1 ATOM 1679 C CB . GLU B 2 36 ? 3.937 -1.948 16.490 1.00 80.74 36 B 1 ATOM 1680 C CG . GLU B 2 36 ? 4.082 -2.931 15.293 1.00 72.50 36 B 1 ATOM 1681 C CD . GLU B 2 36 ? 3.969 -2.285 13.890 1.00 64.68 36 B 1 ATOM 1682 O OE1 . GLU B 2 36 ? 4.222 -2.951 12.860 1.00 57.14 36 B 1 ATOM 1683 O OE2 . GLU B 2 36 ? 3.613 -1.087 13.799 1.00 58.96 36 B 1 ATOM 1684 N N . GLU B 2 37 ? 2.404 0.686 17.768 1.00 83.84 37 B 1 ATOM 1685 C CA . GLU B 2 37 ? 2.306 1.772 18.748 1.00 83.27 37 B 1 ATOM 1686 C C . GLU B 2 37 ? 0.851 2.169 19.048 1.00 83.06 37 B 1 ATOM 1687 O O . GLU B 2 37 ? 0.558 2.539 20.189 1.00 79.61 37 B 1 ATOM 1688 C CB . GLU B 2 37 ? 3.107 3.007 18.287 1.00 81.58 37 B 1 ATOM 1689 C CG . GLU B 2 37 ? 4.634 2.807 18.319 1.00 76.83 37 B 1 ATOM 1690 C CD . GLU B 2 37 ? 5.422 4.113 18.067 1.00 75.34 37 B 1 ATOM 1691 O OE1 . GLU B 2 37 ? 6.408 4.109 17.293 1.00 68.61 37 B 1 ATOM 1692 O OE2 . GLU B 2 37 ? 5.091 5.161 18.674 1.00 72.26 37 B 1 ATOM 1693 N N . SER B 2 38 ? -0.049 2.110 18.059 1.00 83.90 38 B 1 ATOM 1694 C CA . SER B 2 38 ? -1.471 2.465 18.169 1.00 83.31 38 B 1 ATOM 1695 C C . SER B 2 38 ? -2.343 1.363 17.555 1.00 83.21 38 B 1 ATOM 1696 O O . SER B 2 38 ? -2.787 1.501 16.414 1.00 79.37 38 B 1 ATOM 1697 C CB . SER B 2 38 ? -1.723 3.821 17.499 1.00 80.69 38 B 1 ATOM 1698 O OG . SER B 2 38 ? -3.022 4.314 17.771 1.00 73.72 38 B 1 ATOM 1699 N N . PRO B 2 39 ? -2.563 0.243 18.269 1.00 81.79 39 B 1 ATOM 1700 C CA . PRO B 2 39 ? -3.447 -0.817 17.797 1.00 79.42 39 B 1 ATOM 1701 C C . PRO B 2 39 ? -4.889 -0.302 17.682 1.00 78.54 39 B 1 ATOM 1702 O O . PRO B 2 39 ? -5.253 0.646 18.383 1.00 72.58 39 B 1 ATOM 1703 C CB . PRO B 2 39 ? -3.295 -1.954 18.812 1.00 76.11 39 B 1 ATOM 1704 C CG . PRO B 2 39 ? -2.915 -1.234 20.101 1.00 74.42 39 B 1 ATOM 1705 C CD . PRO B 2 39 ? -2.078 -0.063 19.600 1.00 78.38 39 B 1 ATOM 1706 N N . PRO B 2 40 ? -5.736 -0.913 16.826 1.00 78.45 40 B 1 ATOM 1707 C CA . PRO B 2 40 ? -5.425 -2.096 16.009 1.00 77.91 40 B 1 ATOM 1708 C C . PRO B 2 40 ? -4.705 -1.792 14.687 1.00 79.05 40 B 1 ATOM 1709 O O . PRO B 2 40 ? -3.960 -2.629 14.186 1.00 73.10 40 B 1 ATOM 1710 C CB . PRO B 2 40 ? -6.790 -2.759 15.785 1.00 72.79 40 B 1 ATOM 1711 C CG . PRO B 2 40 ? -7.760 -1.576 15.772 1.00 70.15 40 B 1 ATOM 1712 C CD . PRO B 2 40 ? -7.152 -0.608 16.776 1.00 73.27 40 B 1 ATOM 1713 N N . PHE B 2 41 ? -4.886 -0.601 14.112 1.00 81.67 41 B 1 ATOM 1714 C CA . PHE B 2 41 ? -4.419 -0.307 12.746 1.00 81.29 41 B 1 ATOM 1715 C C . PHE B 2 41 ? -3.327 0.758 12.656 1.00 83.17 41 B 1 ATOM 1716 O O . PHE B 2 41 ? -2.754 0.981 11.585 1.00 78.26 41 B 1 ATOM 1717 C CB . PHE B 2 41 ? -5.621 0.081 11.878 1.00 78.05 41 B 1 ATOM 1718 C CG . PHE B 2 41 ? -6.730 -0.944 11.917 1.00 77.32 41 B 1 ATOM 1719 C CD1 . PHE B 2 41 ? -6.501 -2.257 11.462 1.00 73.07 41 B 1 ATOM 1720 C CD2 . PHE B 2 41 ? -7.970 -0.604 12.478 1.00 72.97 41 B 1 ATOM 1721 C CE1 . PHE B 2 41 ? -7.492 -3.238 11.580 1.00 68.73 41 B 1 ATOM 1722 C CE2 . PHE B 2 41 ? -8.969 -1.578 12.600 1.00 69.74 41 B 1 ATOM 1723 C CZ . PHE B 2 41 ? -8.726 -2.898 12.158 1.00 69.37 41 B 1 ATOM 1724 N N . GLY B 2 42 ? -3.034 1.427 13.738 1.00 84.79 42 B 1 ATOM 1725 C CA . GLY B 2 42 ? -2.221 2.630 13.724 1.00 85.48 42 B 1 ATOM 1726 C C . GLY B 2 42 ? -2.967 3.830 13.143 1.00 86.78 42 B 1 ATOM 1727 O O . GLY B 2 42 ? -4.108 3.747 12.691 1.00 84.37 42 B 1 ATOM 1728 N N . ARG B 2 43 ? -2.299 4.975 13.139 1.00 88.59 43 B 1 ATOM 1729 C CA . ARG B 2 43 ? -2.871 6.242 12.663 1.00 89.11 43 B 1 ATOM 1730 C C . ARG B 2 43 ? -1.801 7.134 12.049 1.00 90.46 43 B 1 ATOM 1731 O O . ARG B 2 43 ? -0.611 7.012 12.348 1.00 88.74 43 B 1 ATOM 1732 C CB . ARG B 2 43 ? -3.639 6.934 13.815 1.00 85.52 43 B 1 ATOM 1733 C CG . ARG B 2 43 ? -2.751 7.285 15.019 1.00 78.79 43 B 1 ATOM 1734 C CD . ARG B 2 43 ? -3.576 7.706 16.244 1.00 78.72 43 B 1 ATOM 1735 N NE . ARG B 2 43 ? -4.246 9.010 16.065 1.00 74.28 43 B 1 ATOM 1736 C CZ . ARG B 2 43 ? -5.063 9.568 16.940 1.00 72.15 43 B 1 ATOM 1737 N NH1 . ARG B 2 43 ? -5.353 8.992 18.069 1.00 64.68 43 B 1 ATOM 1738 N NH2 . ARG B 2 43 ? -5.599 10.723 16.703 1.00 63.41 43 B 1 ATOM 1739 N N . VAL B 2 44 ? -2.240 8.044 11.193 1.00 90.21 44 B 1 ATOM 1740 C CA . VAL B 2 44 ? -1.398 9.116 10.654 1.00 90.74 44 B 1 ATOM 1741 C C . VAL B 2 44 ? -2.024 10.440 11.052 1.00 90.99 44 B 1 ATOM 1742 O O . VAL B 2 44 ? -3.209 10.657 10.816 1.00 89.40 44 B 1 ATOM 1743 C CB . VAL B 2 44 ? -1.233 9.007 9.131 1.00 89.91 44 B 1 ATOM 1744 C CG1 . VAL B 2 44 ? -0.321 10.108 8.586 1.00 84.84 44 B 1 ATOM 1745 C CG2 . VAL B 2 44 ? -0.618 7.661 8.734 1.00 85.43 44 B 1 ATOM 1746 N N . GLU B 2 45 ? -1.239 11.330 11.629 1.00 91.63 45 B 1 ATOM 1747 C CA . GLU B 2 45 ? -1.687 12.653 12.042 1.00 91.40 45 B 1 ATOM 1748 C C . GLU B 2 45 ? -1.001 13.739 11.218 1.00 92.21 45 B 1 ATOM 1749 O O . GLU B 2 45 ? 0.212 13.711 11.014 1.00 90.75 45 B 1 ATOM 1750 C CB . GLU B 2 45 ? -1.418 12.859 13.537 1.00 89.73 45 B 1 ATOM 1751 C CG . GLU B 2 45 ? -2.278 11.955 14.430 1.00 83.16 45 B 1 ATOM 1752 C CD . GLU B 2 45 ? -3.781 12.222 14.284 1.00 83.46 45 B 1 ATOM 1753 O OE1 . GLU B 2 45 ? -4.558 11.308 14.626 1.00 75.58 45 B 1 ATOM 1754 O OE2 . GLU B 2 45 ? -4.154 13.341 13.861 1.00 76.34 45 B 1 ATOM 1755 N N . PHE B 2 46 ? -1.789 14.712 10.764 1.00 91.16 46 B 1 ATOM 1756 C CA . PHE B 2 46 ? -1.306 15.902 10.071 1.00 90.99 46 B 1 ATOM 1757 C C . PHE B 2 46 ? -1.494 17.123 10.967 1.00 91.10 46 B 1 ATOM 1758 O O . PHE B 2 46 ? -2.611 17.465 11.350 1.00 88.98 46 B 1 ATOM 1759 C CB . PHE B 2 46 ? -2.040 16.087 8.740 1.00 89.50 46 B 1 ATOM 1760 C CG . PHE B 2 46 ? -1.599 15.138 7.647 1.00 88.86 46 B 1 ATOM 1761 C CD1 . PHE B 2 46 ? -0.700 15.573 6.651 1.00 85.59 46 B 1 ATOM 1762 C CD2 . PHE B 2 46 ? -2.087 13.822 7.610 1.00 85.43 46 B 1 ATOM 1763 C CE1 . PHE B 2 46 ? -0.299 14.704 5.626 1.00 84.16 46 B 1 ATOM 1764 C CE2 . PHE B 2 46 ? -1.682 12.944 6.590 1.00 83.81 46 B 1 ATOM 1765 C CZ . PHE B 2 46 ? -0.789 13.387 5.597 1.00 85.46 46 B 1 ATOM 1766 N N . ILE B 2 47 ? -0.413 17.816 11.253 1.00 91.63 47 B 1 ATOM 1767 C CA . ILE B 2 47 ? -0.427 19.033 12.062 1.00 91.66 47 B 1 ATOM 1768 C C . ILE B 2 47 ? 0.072 20.180 11.193 1.00 91.88 47 B 1 ATOM 1769 O O . ILE B 2 47 ? 1.227 20.193 10.767 1.00 90.70 47 B 1 ATOM 1770 C CB . ILE B 2 47 ? 0.403 18.872 13.349 1.00 91.29 47 B 1 ATOM 1771 C CG1 . ILE B 2 47 ? 0.036 17.574 14.119 1.00 87.71 47 B 1 ATOM 1772 C CG2 . ILE B 2 47 ? 0.186 20.109 14.245 1.00 86.06 47 B 1 ATOM 1773 C CD1 . ILE B 2 47 ? 1.042 17.244 15.223 1.00 77.31 47 B 1 ATOM 1774 N N . LYS B 2 48 ? -0.812 21.154 10.933 1.00 90.62 48 B 1 ATOM 1775 C CA . LYS B 2 48 ? -0.509 22.327 10.116 1.00 90.42 48 B 1 ATOM 1776 C C . LYS B 2 48 ? 0.141 23.421 10.960 1.00 91.36 48 B 1 ATOM 1777 O O . LYS B 2 48 ? -0.296 23.697 12.075 1.00 89.95 48 B 1 ATOM 1778 C CB . LYS B 2 48 ? -1.776 22.825 9.403 1.00 87.59 48 B 1 ATOM 1779 C CG . LYS B 2 48 ? -2.333 21.782 8.412 1.00 80.97 48 B 1 ATOM 1780 C CD . LYS B 2 48 ? -3.560 22.307 7.658 1.00 77.53 48 B 1 ATOM 1781 C CE . LYS B 2 48 ? -4.059 21.243 6.674 1.00 68.03 48 B 1 ATOM 1782 N NZ . LYS B 2 48 ? -5.242 21.693 5.893 1.00 61.16 48 B 1 ATOM 1783 N N . PHE B 2 49 ? 1.157 24.066 10.389 1.00 91.16 49 B 1 ATOM 1784 C CA . PHE B 2 49 ? 1.816 25.235 10.968 1.00 91.53 49 B 1 ATOM 1785 C C . PHE B 2 49 ? 1.921 26.340 9.918 1.00 91.03 49 B 1 ATOM 1786 O O . PHE B 2 49 ? 2.350 26.088 8.794 1.00 87.91 49 B 1 ATOM 1787 C CB . PHE B 2 49 ? 3.207 24.858 11.489 1.00 91.13 49 B 1 ATOM 1788 C CG . PHE B 2 49 ? 3.217 23.848 12.616 1.00 91.99 49 B 1 ATOM 1789 C CD1 . PHE B 2 49 ? 3.140 24.277 13.954 1.00 89.92 49 B 1 ATOM 1790 C CD2 . PHE B 2 49 ? 3.311 22.474 12.336 1.00 90.11 49 B 1 ATOM 1791 C CE1 . PHE B 2 49 ? 3.167 23.348 15.003 1.00 89.48 49 B 1 ATOM 1792 C CE2 . PHE B 2 49 ? 3.334 21.537 13.384 1.00 89.57 49 B 1 ATOM 1793 C CZ . PHE B 2 49 ? 3.265 21.975 14.719 1.00 90.36 49 B 1 ATOM 1794 N N . ALA B 2 50 ? 1.596 27.568 10.295 1.00 90.29 50 B 1 ATOM 1795 C CA . ALA B 2 50 ? 1.751 28.728 9.410 1.00 89.07 50 B 1 ATOM 1796 C C . ALA B 2 50 ? 3.229 29.004 9.068 1.00 88.88 50 B 1 ATOM 1797 O O . ALA B 2 50 ? 3.575 29.362 7.945 1.00 85.22 50 B 1 ATOM 1798 C CB . ALA B 2 50 ? 1.106 29.935 10.102 1.00 87.00 50 B 1 ATOM 1799 N N . VAL B 2 51 ? 4.111 28.780 10.042 1.00 90.42 51 B 1 ATOM 1800 C CA . VAL B 2 51 ? 5.563 28.933 9.900 1.00 91.44 51 B 1 ATOM 1801 C C . VAL B 2 51 ? 6.263 27.616 10.220 1.00 92.52 51 B 1 ATOM 1802 O O . VAL B 2 51 ? 5.685 26.722 10.845 1.00 91.24 51 B 1 ATOM 1803 C CB . VAL B 2 51 ? 6.106 30.084 10.768 1.00 89.45 51 B 1 ATOM 1804 C CG1 . VAL B 2 51 ? 5.508 31.428 10.329 1.00 80.06 51 B 1 ATOM 1805 C CG2 . VAL B 2 51 ? 5.828 29.873 12.261 1.00 80.81 51 B 1 ATOM 1806 N N . ARG B 2 52 ? 7.537 27.489 9.808 1.00 92.59 52 B 1 ATOM 1807 C CA . ARG B 2 52 ? 8.327 26.286 10.103 1.00 93.70 52 B 1 ATOM 1808 C C . ARG B 2 52 ? 8.316 25.985 11.607 1.00 94.57 52 B 1 ATOM 1809 O O . ARG B 2 52 ? 8.814 26.803 12.386 1.00 93.28 52 B 1 ATOM 1810 C CB . ARG B 2 52 ? 9.762 26.458 9.579 1.00 91.91 52 B 1 ATOM 1811 C CG . ARG B 2 52 ? 10.597 25.182 9.775 1.00 88.85 52 B 1 ATOM 1812 C CD . ARG B 2 52 ? 11.999 25.349 9.190 1.00 83.94 52 B 1 ATOM 1813 N NE . ARG B 2 52 ? 12.811 24.137 9.399 1.00 76.56 52 B 1 ATOM 1814 C CZ . ARG B 2 52 ? 14.064 23.954 8.994 1.00 70.32 52 B 1 ATOM 1815 N NH1 . ARG B 2 52 ? 14.711 24.880 8.335 1.00 63.94 52 B 1 ATOM 1816 N NH2 . ARG B 2 52 ? 14.678 22.836 9.252 1.00 63.29 52 B 1 ATOM 1817 N N . PRO B 2 53 ? 7.811 24.801 12.021 1.00 94.25 53 B 1 ATOM 1818 C CA . PRO B 2 53 ? 7.789 24.449 13.434 1.00 94.74 53 B 1 ATOM 1819 C C . PRO B 2 53 ? 9.209 24.304 13.987 1.00 95.46 53 B 1 ATOM 1820 O O . PRO B 2 53 ? 10.118 23.753 13.352 1.00 94.07 53 B 1 ATOM 1821 C CB . PRO B 2 53 ? 6.981 23.155 13.528 1.00 93.20 53 B 1 ATOM 1822 C CG . PRO B 2 53 ? 7.180 22.514 12.154 1.00 90.94 53 B 1 ATOM 1823 C CD . PRO B 2 53 ? 7.257 23.724 11.223 1.00 92.86 53 B 1 ATOM 1824 N N . THR B 2 54 ? 9.388 24.779 15.213 1.00 95.07 54 B 1 ATOM 1825 C CA . THR B 2 54 ? 10.655 24.649 15.937 1.00 94.82 54 B 1 ATOM 1826 C C . THR B 2 54 ? 10.871 23.206 16.410 1.00 94.86 54 B 1 ATOM 1827 O O . THR B 2 54 ? 9.923 22.439 16.612 1.00 93.36 54 B 1 ATOM 1828 C CB . THR B 2 54 ? 10.713 25.610 17.135 1.00 93.84 54 B 1 ATOM 1829 O OG1 . THR B 2 54 ? 9.732 25.263 18.080 1.00 86.75 54 B 1 ATOM 1830 C CG2 . THR B 2 54 ? 10.505 27.079 16.743 1.00 85.27 54 B 1 ATOM 1831 N N . LYS B 2 55 ? 12.130 22.843 16.697 1.00 94.31 55 B 1 ATOM 1832 C CA . LYS B 2 55 ? 12.450 21.541 17.314 1.00 94.40 55 B 1 ATOM 1833 C C . LYS B 2 55 ? 11.653 21.299 18.609 1.00 94.43 55 B 1 ATOM 1834 O O . LYS B 2 55 ? 11.278 20.163 18.903 1.00 92.74 55 B 1 ATOM 1835 C CB . LYS B 2 55 ? 13.962 21.423 17.600 1.00 93.55 55 B 1 ATOM 1836 C CG . LYS B 2 55 ? 14.835 21.330 16.328 1.00 85.74 55 B 1 ATOM 1837 C CD . LYS B 2 55 ? 16.329 21.146 16.680 1.00 82.18 55 B 1 ATOM 1838 C CE . LYS B 2 55 ? 17.190 21.049 15.410 1.00 71.94 55 B 1 ATOM 1839 N NZ . LYS B 2 55 ? 18.656 20.930 15.691 1.00 64.34 55 B 1 ATOM 1840 N N . ARG B 2 56 ? 11.379 22.365 19.379 1.00 94.95 56 B 1 ATOM 1841 C CA . ARG B 2 56 ? 10.580 22.291 20.611 1.00 95.50 56 B 1 ATOM 1842 C C . ARG B 2 56 ? 9.128 21.926 20.314 1.00 95.59 56 B 1 ATOM 1843 O O . ARG B 2 56 ? 8.612 21.005 20.947 1.00 93.60 56 B 1 ATOM 1844 C CB . ARG B 2 56 ? 10.699 23.613 21.394 1.00 94.77 56 B 1 ATOM 1845 C CG . ARG B 2 56 ? 9.953 23.559 22.750 1.00 83.72 56 B 1 ATOM 1846 C CD . ARG B 2 56 ? 10.130 24.870 23.536 1.00 79.61 56 B 1 ATOM 1847 N NE . ARG B 2 56 ? 9.384 24.866 24.807 1.00 68.50 56 B 1 ATOM 1848 C CZ . ARG B 2 56 ? 9.383 25.825 25.732 1.00 60.84 56 B 1 ATOM 1849 N NH1 . ARG B 2 56 ? 10.088 26.911 25.593 1.00 54.08 56 B 1 ATOM 1850 N NH2 . ARG B 2 56 ? 8.667 25.706 26.811 1.00 52.46 56 B 1 ATOM 1851 N N . GLN B 2 57 ? 8.503 22.585 19.327 1.00 95.52 57 B 1 ATOM 1852 C CA . GLN B 2 57 ? 7.127 22.288 18.904 1.00 94.96 57 B 1 ATOM 1853 C C . GLN B 2 57 ? 7.003 20.848 18.385 1.00 94.81 57 B 1 ATOM 1854 O O . GLN B 2 57 ? 6.121 20.118 18.833 1.00 93.51 57 B 1 ATOM 1855 C CB . GLN B 2 57 ? 6.684 23.288 17.829 1.00 94.12 57 B 1 ATOM 1856 C CG . GLN B 2 57 ? 6.331 24.664 18.413 1.00 90.83 57 B 1 ATOM 1857 C CD . GLN B 2 57 ? 6.277 25.733 17.325 1.00 90.31 57 B 1 ATOM 1858 O OE1 . GLN B 2 57 ? 7.174 25.825 16.506 1.00 83.26 57 B 1 ATOM 1859 N NE2 . GLN B 2 57 ? 5.266 26.566 17.291 1.00 81.01 57 B 1 ATOM 1860 N N . ILE B 2 58 ? 7.932 20.393 17.549 1.00 94.71 58 B 1 ATOM 1861 C CA . ILE B 2 58 ? 7.948 19.009 17.038 1.00 94.08 58 B 1 ATOM 1862 C C . ILE B 2 58 ? 8.029 17.992 18.193 1.00 94.18 58 B 1 ATOM 1863 O O . ILE B 2 58 ? 7.258 17.031 18.246 1.00 92.85 58 B 1 ATOM 1864 C CB . ILE B 2 58 ? 9.103 18.818 16.027 1.00 93.31 58 B 1 ATOM 1865 C CG1 . ILE B 2 58 ? 8.903 19.724 14.787 1.00 91.42 58 B 1 ATOM 1866 C CG2 . ILE B 2 58 ? 9.218 17.341 15.601 1.00 90.82 58 B 1 ATOM 1867 C CD1 . ILE B 2 58 ? 10.105 19.773 13.834 1.00 86.62 58 B 1 ATOM 1868 N N . ARG B 2 59 ? 8.928 18.221 19.156 1.00 94.58 59 B 1 ATOM 1869 C CA . ARG B 2 59 ? 9.030 17.360 20.353 1.00 94.37 59 B 1 ATOM 1870 C C . ARG B 2 59 ? 7.763 17.392 21.214 1.00 94.62 59 B 1 ATOM 1871 O O . ARG B 2 59 ? 7.439 16.388 21.848 1.00 93.35 59 B 1 ATOM 1872 C CB . ARG B 2 59 ? 10.233 17.785 21.209 1.00 93.65 59 B 1 ATOM 1873 C CG . ARG B 2 59 ? 11.590 17.398 20.597 1.00 83.26 59 B 1 ATOM 1874 C CD . ARG B 2 59 ? 12.717 17.965 21.472 1.00 81.77 59 B 1 ATOM 1875 N NE . ARG B 2 59 ? 14.056 17.696 20.915 1.00 72.28 59 B 1 ATOM 1876 C CZ . ARG B 2 59 ? 15.215 18.068 21.448 1.00 65.71 59 B 1 ATOM 1877 N NH1 . ARG B 2 59 ? 15.279 18.731 22.577 1.00 58.51 59 B 1 ATOM 1878 N NH2 . ARG B 2 59 ? 16.342 17.785 20.852 1.00 57.53 59 B 1 ATOM 1879 N N . GLN B 2 60 ? 7.073 18.532 21.275 1.00 94.96 60 B 1 ATOM 1880 C CA . GLN B 2 60 ? 5.823 18.677 22.017 1.00 94.60 60 B 1 ATOM 1881 C C . GLN B 2 60 ? 4.691 17.900 21.342 1.00 94.52 60 B 1 ATOM 1882 O O . GLN B 2 60 ? 4.044 17.104 22.022 1.00 93.08 60 B 1 ATOM 1883 C CB . GLN B 2 60 ? 5.511 20.161 22.191 1.00 93.96 60 B 1 ATOM 1884 C CG . GLN B 2 60 ? 4.325 20.407 23.147 1.00 82.94 60 B 1 ATOM 1885 C CD . GLN B 2 60 ? 4.178 21.896 23.495 1.00 78.86 60 B 1 ATOM 1886 O OE1 . GLN B 2 60 ? 4.972 22.735 23.098 1.00 73.07 60 B 1 ATOM 1887 N NE2 . GLN B 2 60 ? 3.189 22.263 24.273 1.00 69.30 60 B 1 ATOM 1888 N N . CYS B 2 61 ? 4.535 18.020 20.020 1.00 94.16 61 B 1 ATOM 1889 C CA . CYS B 2 61 ? 3.577 17.218 19.250 1.00 93.47 61 B 1 ATOM 1890 C C . CYS B 2 61 ? 3.826 15.713 19.440 1.00 93.77 61 B 1 ATOM 1891 O O . CYS B 2 61 ? 2.911 14.968 19.777 1.00 92.50 61 B 1 ATOM 1892 C CB . CYS B 2 61 ? 3.664 17.593 17.759 1.00 92.30 61 B 1 ATOM 1893 S SG . CYS B 2 61 ? 3.138 19.317 17.518 1.00 86.63 61 B 1 ATOM 1894 N N . LYS B 2 62 ? 5.086 15.271 19.328 1.00 92.63 62 B 1 ATOM 1895 C CA . LYS B 2 62 ? 5.444 13.863 19.561 1.00 92.23 62 B 1 ATOM 1896 C C . LYS B 2 62 ? 5.044 13.386 20.963 1.00 92.22 62 B 1 ATOM 1897 O O . LYS B 2 62 ? 4.513 12.287 21.107 1.00 91.40 62 B 1 ATOM 1898 C CB . LYS B 2 62 ? 6.945 13.649 19.283 1.00 91.32 62 B 1 ATOM 1899 C CG . LYS B 2 62 ? 7.344 12.163 19.353 1.00 85.16 62 B 1 ATOM 1900 C CD . LYS B 2 62 ? 8.800 11.917 18.925 1.00 83.45 62 B 1 ATOM 1901 C CE . LYS B 2 62 ? 9.097 10.407 18.915 1.00 75.08 62 B 1 ATOM 1902 N NZ . LYS B 2 62 ? 10.434 10.061 18.358 1.00 69.06 62 B 1 ATOM 1903 N N . ARG B 2 63 ? 5.292 14.194 21.998 1.00 93.00 63 B 1 ATOM 1904 C CA . ARG B 2 63 ? 4.890 13.852 23.378 1.00 93.21 63 B 1 ATOM 1905 C C . ARG B 2 63 ? 3.371 13.816 23.545 1.00 93.21 63 B 1 ATOM 1906 O O . ARG B 2 63 ? 2.876 12.903 24.196 1.00 91.48 63 B 1 ATOM 1907 C CB . ARG B 2 63 ? 5.512 14.832 24.387 1.00 92.35 63 B 1 ATOM 1908 C CG . ARG B 2 63 ? 6.993 14.509 24.648 1.00 79.14 63 B 1 ATOM 1909 C CD . ARG B 2 63 ? 7.580 15.414 25.742 1.00 77.97 63 B 1 ATOM 1910 N NE . ARG B 2 63 ? 7.778 16.799 25.289 1.00 68.87 63 B 1 ATOM 1911 C CZ . ARG B 2 63 ? 8.177 17.819 26.049 1.00 62.03 63 B 1 ATOM 1912 N NH1 . ARG B 2 63 ? 8.413 17.672 27.327 1.00 55.97 63 B 1 ATOM 1913 N NH2 . ARG B 2 63 ? 8.361 19.000 25.530 1.00 53.63 63 B 1 ATOM 1914 N N . TYR B 2 64 ? 2.665 14.785 22.957 1.00 92.83 64 B 1 ATOM 1915 C CA . TYR B 2 64 ? 1.206 14.862 23.007 1.00 92.45 64 B 1 ATOM 1916 C C . TYR B 2 64 ? 0.554 13.613 22.401 1.00 92.37 64 B 1 ATOM 1917 O O . TYR B 2 64 ? -0.190 12.920 23.095 1.00 91.12 64 B 1 ATOM 1918 C CB . TYR B 2 64 ? 0.761 16.146 22.303 1.00 91.58 64 B 1 ATOM 1919 C CG . TYR B 2 64 ? -0.743 16.304 22.249 1.00 88.72 64 B 1 ATOM 1920 C CD1 . TYR B 2 64 ? -1.446 16.050 21.052 1.00 83.44 64 B 1 ATOM 1921 C CD2 . TYR B 2 64 ? -1.455 16.706 23.399 1.00 83.05 64 B 1 ATOM 1922 C CE1 . TYR B 2 64 ? -2.838 16.201 21.005 1.00 81.12 64 B 1 ATOM 1923 C CE2 . TYR B 2 64 ? -2.851 16.858 23.357 1.00 80.64 64 B 1 ATOM 1924 C CZ . TYR B 2 64 ? -3.538 16.605 22.158 1.00 80.66 64 B 1 ATOM 1925 O OH . TYR B 2 64 ? -4.905 16.754 22.109 1.00 78.31 64 B 1 ATOM 1926 N N . PHE B 2 65 ? 0.917 13.244 21.170 1.00 91.53 65 B 1 ATOM 1927 C CA . PHE B 2 65 ? 0.351 12.059 20.516 1.00 91.06 65 B 1 ATOM 1928 C C . PHE B 2 65 ? 0.775 10.744 21.174 1.00 90.99 65 B 1 ATOM 1929 O O . PHE B 2 65 ? -0.039 9.836 21.275 1.00 88.91 65 B 1 ATOM 1930 C CB . PHE B 2 65 ? 0.663 12.084 19.018 1.00 89.91 65 B 1 ATOM 1931 C CG . PHE B 2 65 ? -0.269 13.005 18.268 1.00 88.39 65 B 1 ATOM 1932 C CD1 . PHE B 2 65 ? -1.584 12.589 17.990 1.00 85.10 65 B 1 ATOM 1933 C CD2 . PHE B 2 65 ? 0.137 14.296 17.895 1.00 85.02 65 B 1 ATOM 1934 C CE1 . PHE B 2 65 ? -2.487 13.450 17.345 1.00 83.37 65 B 1 ATOM 1935 C CE2 . PHE B 2 65 ? -0.763 15.167 17.250 1.00 83.22 65 B 1 ATOM 1936 C CZ . PHE B 2 65 ? -2.077 14.743 16.978 1.00 84.14 65 B 1 ATOM 1937 N N . ARG B 2 66 ? 1.989 10.643 21.713 1.00 90.75 66 B 1 ATOM 1938 C CA . ARG B 2 66 ? 2.362 9.475 22.537 1.00 89.80 66 B 1 ATOM 1939 C C . ARG B 2 66 ? 1.460 9.322 23.763 1.00 89.63 66 B 1 ATOM 1940 O O . ARG B 2 66 ? 1.127 8.200 24.129 1.00 87.83 66 B 1 ATOM 1941 C CB . ARG B 2 66 ? 3.824 9.570 22.987 1.00 88.57 66 B 1 ATOM 1942 C CG . ARG B 2 66 ? 4.779 9.126 21.881 1.00 82.55 66 B 1 ATOM 1943 C CD . ARG B 2 66 ? 6.220 9.343 22.332 1.00 79.29 66 B 1 ATOM 1944 N NE . ARG B 2 66 ? 7.165 8.701 21.401 1.00 72.64 66 B 1 ATOM 1945 C CZ . ARG B 2 66 ? 8.469 8.583 21.577 1.00 67.06 66 B 1 ATOM 1946 N NH1 . ARG B 2 66 ? 9.095 9.188 22.554 1.00 61.65 66 B 1 ATOM 1947 N NH2 . ARG B 2 66 ? 9.160 7.831 20.770 1.00 59.99 66 B 1 ATOM 1948 N N . LYS B 2 67 ? 1.076 10.439 24.387 1.00 90.12 67 B 1 ATOM 1949 C CA . LYS B 2 67 ? 0.160 10.415 25.529 1.00 89.87 67 B 1 ATOM 1950 C C . LYS B 2 67 ? -1.238 9.976 25.097 1.00 89.47 67 B 1 ATOM 1951 O O . LYS B 2 67 ? -1.808 9.119 25.763 1.00 87.56 67 B 1 ATOM 1952 C CB . LYS B 2 67 ? 0.157 11.776 26.245 1.00 89.16 67 B 1 ATOM 1953 C CG . LYS B 2 67 ? -0.624 11.711 27.579 1.00 78.14 67 B 1 ATOM 1954 C CD . LYS B 2 67 ? -0.642 13.060 28.318 1.00 75.83 67 B 1 ATOM 1955 C CE . LYS B 2 67 ? -1.454 12.913 29.615 1.00 65.91 67 B 1 ATOM 1956 N NZ . LYS B 2 67 ? -1.615 14.190 30.366 1.00 58.85 67 B 1 ATOM 1957 N N . ILE B 2 68 ? -1.760 10.500 23.986 1.00 89.46 68 B 1 ATOM 1958 C CA . ILE B 2 68 ? -3.055 10.091 23.418 1.00 87.99 68 B 1 ATOM 1959 C C . ILE B 2 68 ? -3.062 8.597 23.117 1.00 87.68 68 B 1 ATOM 1960 O O . ILE B 2 68 ? -3.916 7.890 23.630 1.00 85.85 68 B 1 ATOM 1961 C CB . ILE B 2 68 ? -3.408 10.923 22.167 1.00 86.61 68 B 1 ATOM 1962 C CG1 . ILE B 2 68 ? -3.732 12.368 22.602 1.00 81.22 68 B 1 ATOM 1963 C CG2 . ILE B 2 68 ? -4.590 10.308 21.395 1.00 79.11 68 B 1 ATOM 1964 C CD1 . ILE B 2 68 ? -4.028 13.313 21.445 1.00 72.45 68 B 1 ATOM 1965 N N . VAL B 2 69 ? -2.078 8.094 22.373 1.00 86.65 69 B 1 ATOM 1966 C CA . VAL B 2 69 ? -1.982 6.665 22.029 1.00 84.82 69 B 1 ATOM 1967 C C . VAL B 2 69 ? -1.922 5.787 23.282 1.00 84.77 69 B 1 ATOM 1968 O O . VAL B 2 69 ? -2.543 4.724 23.335 1.00 82.37 69 B 1 ATOM 1969 C CB . VAL B 2 69 ? -0.755 6.422 21.134 1.00 82.87 69 B 1 ATOM 1970 C CG1 . VAL B 2 69 ? -0.432 4.940 20.948 1.00 75.85 69 B 1 ATOM 1971 C CG2 . VAL B 2 69 ? -0.977 7.032 19.747 1.00 77.07 69 B 1 ATOM 1972 N N . LYS B 2 70 ? -1.209 6.223 24.317 1.00 85.57 70 B 1 ATOM 1973 C CA . LYS B 2 70 ? -1.165 5.496 25.590 1.00 84.96 70 B 1 ATOM 1974 C C . LYS B 2 70 ? -2.539 5.451 26.266 1.00 84.60 70 B 1 ATOM 1975 O O . LYS B 2 70 ? -2.908 4.406 26.800 1.00 82.87 70 B 1 ATOM 1976 C CB . LYS B 2 70 ? -0.090 6.095 26.511 1.00 83.46 70 B 1 ATOM 1977 C CG . LYS B 2 70 ? 0.094 5.232 27.770 1.00 73.82 70 B 1 ATOM 1978 C CD . LYS B 2 70 ? 1.165 5.782 28.721 1.00 71.82 70 B 1 ATOM 1979 C CE . LYS B 2 70 ? 1.233 4.846 29.939 1.00 62.41 70 B 1 ATOM 1980 N NZ . LYS B 2 70 ? 2.189 5.300 30.982 1.00 56.61 70 B 1 ATOM 1981 N N . LEU B 2 71 ? -3.284 6.559 26.241 1.00 86.40 71 B 1 ATOM 1982 C CA . LEU B 2 71 ? -4.642 6.624 26.786 1.00 85.57 71 B 1 ATOM 1983 C C . LEU B 2 71 ? -5.598 5.749 25.975 1.00 84.88 71 B 1 ATOM 1984 O O . LEU B 2 71 ? -6.304 4.942 26.566 1.00 82.39 71 B 1 ATOM 1985 C CB . LEU B 2 71 ? -5.127 8.082 26.828 1.00 84.87 71 B 1 ATOM 1986 C CG . LEU B 2 71 ? -4.415 8.960 27.874 1.00 78.19 71 B 1 ATOM 1987 C CD1 . LEU B 2 71 ? -4.764 10.434 27.637 1.00 73.72 71 B 1 ATOM 1988 C CD2 . LEU B 2 71 ? -4.822 8.600 29.304 1.00 74.97 71 B 1 ATOM 1989 N N . GLU B 2 72 ? -5.556 5.822 24.646 1.00 81.58 72 B 1 ATOM 1990 C CA . GLU B 2 72 ? -6.369 4.979 23.761 1.00 79.64 72 B 1 ATOM 1991 C C . GLU B 2 72 ? -6.131 3.487 24.031 1.00 79.09 72 B 1 ATOM 1992 O O . GLU B 2 72 ? -7.083 2.726 24.181 1.00 76.44 72 B 1 ATOM 1993 C CB . GLU B 2 72 ? -6.062 5.303 22.289 1.00 77.13 72 B 1 ATOM 1994 C CG . GLU B 2 72 ? -6.613 6.661 21.824 1.00 70.47 72 B 1 ATOM 1995 C CD . GLU B 2 72 ? -6.119 7.090 20.425 1.00 65.50 72 B 1 ATOM 1996 O OE1 . GLU B 2 72 ? -6.665 8.065 19.865 1.00 61.23 72 B 1 ATOM 1997 O OE2 . GLU B 2 72 ? -5.132 6.513 19.908 1.00 62.86 72 B 1 ATOM 1998 N N . LYS B 2 73 ? -4.877 3.066 24.191 1.00 78.27 73 B 1 ATOM 1999 C CA . LYS B 2 73 ? -4.555 1.690 24.594 1.00 77.55 73 B 1 ATOM 2000 C C . LYS B 2 73 ? -5.184 1.319 25.933 1.00 77.07 73 B 1 ATOM 2001 O O . LYS B 2 73 ? -5.706 0.218 26.067 1.00 73.91 73 B 1 ATOM 2002 C CB . LYS B 2 73 ? -3.037 1.480 24.686 1.00 74.58 73 B 1 ATOM 2003 C CG . LYS B 2 73 ? -2.397 1.324 23.308 1.00 69.64 73 B 1 ATOM 2004 C CD . LYS B 2 73 ? -0.895 1.049 23.449 1.00 66.98 73 B 1 ATOM 2005 C CE . LYS B 2 73 ? -0.346 0.798 22.054 1.00 61.81 73 B 1 ATOM 2006 N NZ . LYS B 2 73 ? 1.053 0.311 22.036 1.00 56.40 73 B 1 ATOM 2007 N N . GLN B 2 74 ? -5.132 2.212 26.911 1.00 78.52 74 B 1 ATOM 2008 C CA . GLN B 2 74 ? -5.739 1.971 28.222 1.00 78.68 74 B 1 ATOM 2009 C C . GLN B 2 74 ? -7.256 1.834 28.103 1.00 78.03 74 B 1 ATOM 2010 O O . GLN B 2 74 ? -7.800 0.883 28.654 1.00 74.24 74 B 1 ATOM 2011 C CB . GLN B 2 74 ? -5.357 3.078 29.207 1.00 76.44 74 B 1 ATOM 2012 C CG . GLN B 2 74 ? -3.905 2.923 29.674 1.00 68.30 74 B 1 ATOM 2013 C CD . GLN B 2 74 ? -3.446 4.068 30.583 1.00 64.26 74 B 1 ATOM 2014 O OE1 . GLN B 2 74 ? -3.753 5.236 30.418 1.00 59.94 74 B 1 ATOM 2015 N NE2 . GLN B 2 74 ? -2.650 3.768 31.589 1.00 57.08 74 B 1 ATOM 2016 N N . PHE B 2 75 ? -7.926 2.712 27.337 1.00 76.40 75 B 1 ATOM 2017 C CA . PHE B 2 75 ? -9.366 2.608 27.104 1.00 76.13 75 B 1 ATOM 2018 C C . PHE B 2 75 ? -9.742 1.297 26.419 1.00 75.30 75 B 1 ATOM 2019 O O . PHE B 2 75 ? -10.590 0.578 26.936 1.00 70.81 75 B 1 ATOM 2020 C CB . PHE B 2 75 ? -9.868 3.821 26.310 1.00 72.42 75 B 1 ATOM 2021 C CG . PHE B 2 75 ? -10.082 5.045 27.173 1.00 65.99 75 B 1 ATOM 2022 C CD1 . PHE B 2 75 ? -11.168 5.087 28.064 1.00 61.53 75 B 1 ATOM 2023 C CD2 . PHE B 2 75 ? -9.202 6.139 27.106 1.00 60.57 75 B 1 ATOM 2024 C CE1 . PHE B 2 75 ? -11.370 6.203 28.891 1.00 55.38 75 B 1 ATOM 2025 C CE2 . PHE B 2 75 ? -9.397 7.259 27.934 1.00 55.10 75 B 1 ATOM 2026 C CZ . PHE B 2 75 ? -10.480 7.288 28.830 1.00 53.92 75 B 1 ATOM 2027 N N . VAL B 2 76 ? -9.054 0.923 25.342 1.00 71.77 76 B 1 ATOM 2028 C CA . VAL B 2 76 ? -9.313 -0.356 24.658 1.00 71.96 76 B 1 ATOM 2029 C C . VAL B 2 76 ? -9.115 -1.538 25.609 1.00 70.93 76 B 1 ATOM 2030 O O . VAL B 2 76 ? -9.929 -2.458 25.627 1.00 67.24 76 B 1 ATOM 2031 C CB . VAL B 2 76 ? -8.433 -0.503 23.404 1.00 68.41 76 B 1 ATOM 2032 C CG1 . VAL B 2 76 ? -8.568 -1.880 22.744 1.00 61.41 76 B 1 ATOM 2033 C CG2 . VAL B 2 76 ? -8.812 0.537 22.341 1.00 61.86 76 B 1 ATOM 2034 N N . THR B 2 77 ? -8.075 -1.530 26.437 1.00 68.97 77 B 1 ATOM 2035 C CA . THR B 2 77 ? -7.885 -2.603 27.422 1.00 69.47 77 B 1 ATOM 2036 C C . THR B 2 77 ? -8.942 -2.600 28.522 1.00 68.67 77 B 1 ATOM 2037 O O . THR B 2 77 ? -9.320 -3.681 28.974 1.00 65.24 77 B 1 ATOM 2038 C CB . THR B 2 77 ? -6.492 -2.590 28.067 1.00 66.75 77 B 1 ATOM 2039 O OG1 . THR B 2 77 ? -6.081 -1.315 28.499 1.00 59.20 77 B 1 ATOM 2040 C CG2 . THR B 2 77 ? -5.421 -3.089 27.093 1.00 58.04 77 B 1 ATOM 2041 N N . CYS B 2 78 ? -9.433 -1.434 28.943 1.00 70.38 78 B 1 ATOM 2042 C CA . CYS B 2 78 ? -10.519 -1.334 29.912 1.00 71.38 78 B 1 ATOM 2043 C C . CYS B 2 78 ? -11.837 -1.844 29.323 1.00 69.90 78 B 1 ATOM 2044 O O . CYS B 2 78 ? -12.465 -2.690 29.945 1.00 66.04 78 B 1 ATOM 2045 C CB . CYS B 2 78 ? -10.654 0.107 30.422 1.00 67.33 78 B 1 ATOM 2046 S SG . CYS B 2 78 ? -9.259 0.527 31.519 1.00 57.13 78 B 1 ATOM 2047 N N . ASP B 2 79 ? -12.197 -1.408 28.111 1.00 66.27 79 B 1 ATOM 2048 C CA . ASP B 2 79 ? -13.426 -1.840 27.442 1.00 67.97 79 B 1 ATOM 2049 C C . ASP B 2 79 ? -13.419 -3.351 27.195 1.00 65.79 79 B 1 ATOM 2050 O O . ASP B 2 79 ? -14.396 -4.036 27.484 1.00 63.78 79 B 1 ATOM 2051 C CB . ASP B 2 79 ? -13.609 -1.091 26.110 1.00 65.06 79 B 1 ATOM 2052 C CG . ASP B 2 79 ? -13.931 0.402 26.251 1.00 59.30 79 B 1 ATOM 2053 O OD1 . ASP B 2 79 ? -14.324 0.836 27.354 1.00 55.46 79 B 1 ATOM 2054 O OD2 . ASP B 2 79 ? -13.766 1.110 25.230 1.00 54.34 79 B 1 ATOM 2055 N N . TYR B 2 80 ? -12.291 -3.916 26.753 1.00 66.46 80 B 1 ATOM 2056 C CA . TYR B 2 80 ? -12.167 -5.375 26.639 1.00 66.11 80 B 1 ATOM 2057 C C . TYR B 2 80 ? -12.279 -6.075 27.995 1.00 63.81 80 B 1 ATOM 2058 O O . TYR B 2 80 ? -12.881 -7.146 28.080 1.00 61.39 80 B 1 ATOM 2059 C CB . TYR B 2 80 ? -10.851 -5.762 25.954 1.00 63.52 80 B 1 ATOM 2060 C CG . TYR B 2 80 ? -10.998 -6.016 24.469 1.00 59.28 80 B 1 ATOM 2061 C CD1 . TYR B 2 80 ? -11.432 -7.275 24.008 1.00 56.24 80 B 1 ATOM 2062 C CD2 . TYR B 2 80 ? -10.713 -5.002 23.536 1.00 54.15 80 B 1 ATOM 2063 C CE1 . TYR B 2 80 ? -11.584 -7.521 22.636 1.00 49.79 80 B 1 ATOM 2064 C CE2 . TYR B 2 80 ? -10.863 -5.235 22.158 1.00 49.85 80 B 1 ATOM 2065 C CZ . TYR B 2 80 ? -11.299 -6.497 21.710 1.00 50.02 80 B 1 ATOM 2066 O OH . TYR B 2 80 ? -11.448 -6.730 20.361 1.00 45.86 80 B 1 ATOM 2067 N N . ALA B 2 81 ? -11.724 -5.501 29.060 1.00 67.18 81 B 1 ATOM 2068 C CA . ALA B 2 81 ? -11.833 -6.080 30.394 1.00 68.21 81 B 1 ATOM 2069 C C . ALA B 2 81 ? -13.245 -5.950 30.984 1.00 67.93 81 B 1 ATOM 2070 O O . ALA B 2 81 ? -13.628 -6.790 31.799 1.00 64.95 81 B 1 ATOM 2071 C CB . ALA B 2 81 ? -10.782 -5.440 31.306 1.00 67.58 81 B 1 ATOM 2072 N N . GLU B 2 82 ? -14.015 -4.923 30.589 1.00 64.12 82 B 1 ATOM 2073 C CA . GLU B 2 82 ? -15.423 -4.783 30.965 1.00 67.19 82 B 1 ATOM 2074 C C . GLU B 2 82 ? -16.327 -5.715 30.154 1.00 66.05 82 B 1 ATOM 2075 O O . GLU B 2 82 ? -17.212 -6.336 30.729 1.00 64.44 82 B 1 ATOM 2076 C CB . GLU B 2 82 ? -15.886 -3.325 30.835 1.00 66.51 82 B 1 ATOM 2077 C CG . GLU B 2 82 ? -15.367 -2.470 31.998 1.00 59.92 82 B 1 ATOM 2078 C CD . GLU B 2 82 ? -15.948 -1.048 32.047 1.00 54.29 82 B 1 ATOM 2079 O OE1 . GLU B 2 82 ? -15.698 -0.379 33.078 1.00 50.37 82 B 1 ATOM 2080 O OE2 . GLU B 2 82 ? -16.648 -0.640 31.096 1.00 52.18 82 B 1 ATOM 2081 N N . ILE B 2 83 ? -16.066 -5.884 28.855 1.00 66.17 83 B 1 ATOM 2082 C CA . ILE B 2 83 ? -16.822 -6.825 28.007 1.00 66.44 83 B 1 ATOM 2083 C C . ILE B 2 83 ? -16.580 -8.285 28.425 1.00 65.47 83 B 1 ATOM 2084 O O . ILE B 2 83 ? -17.467 -9.124 28.273 1.00 62.28 83 B 1 ATOM 2085 C CB . ILE B 2 83 ? -16.485 -6.589 26.517 1.00 64.75 83 B 1 ATOM 2086 C CG1 . ILE B 2 83 ? -16.984 -5.200 26.049 1.00 61.22 83 B 1 ATOM 2087 C CG2 . ILE B 2 83 ? -17.101 -7.669 25.607 1.00 59.77 83 B 1 ATOM 2088 C CD1 . ILE B 2 83 ? -16.353 -4.732 24.728 1.00 57.55 83 B 1 ATOM 2089 N N . LEU B 2 84 ? -15.385 -8.600 28.936 1.00 62.22 84 B 1 ATOM 2090 C CA . LEU B 2 84 ? -15.034 -9.947 29.405 1.00 62.57 84 B 1 ATOM 2091 C C . LEU B 2 84 ? -15.491 -10.249 30.841 1.00 61.30 84 B 1 ATOM 2092 O O . LEU B 2 84 ? -15.298 -11.382 31.289 1.00 58.43 84 B 1 ATOM 2093 C CB . LEU B 2 84 ? -13.518 -10.158 29.265 1.00 61.74 84 B 1 ATOM 2094 C CG . LEU B 2 84 ? -13.021 -10.350 27.823 1.00 57.38 84 B 1 ATOM 2095 C CD1 . LEU B 2 84 ? -11.487 -10.286 27.808 1.00 55.38 84 B 1 ATOM 2096 C CD2 . LEU B 2 84 ? -13.432 -11.704 27.248 1.00 58.02 84 B 1 ATOM 2097 N N . LYS B 2 85 ? -16.049 -9.258 31.547 1.00 52.90 85 B 1 ATOM 2098 C CA . LYS B 2 85 ? -16.702 -9.470 32.845 1.00 58.69 85 B 1 ATOM 2099 C C . LYS B 2 85 ? -18.185 -9.761 32.666 1.00 54.45 85 B 1 ATOM 2100 O O . LYS B 2 85 ? -18.697 -10.608 33.419 1.00 49.67 85 B 1 ATOM 2101 C CB . LYS B 2 85 ? -16.536 -8.242 33.744 1.00 55.98 85 B 1 ATOM 2102 C CG . LYS B 2 85 ? -15.171 -8.193 34.432 1.00 50.44 85 B 1 ATOM 2103 C CD . LYS B 2 85 ? -15.123 -6.923 35.292 1.00 45.84 85 B 1 ATOM 2104 C CE . LYS B 2 85 ? -13.798 -6.826 36.027 1.00 42.44 85 B 1 ATOM 2105 N NZ . LYS B 2 85 ? -13.764 -5.593 36.844 1.00 37.06 85 B 1 ATOM 2106 O OXT . LYS B 2 85 ? -18.795 -9.093 31.807 1.00 46.67 85 B 1 #