# 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_alu77912.1_acriia3 # _entry.id alu77912.1_acriia3 # 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 SER 2 1 n TYR 3 1 n ARG 4 1 n TYR 5 1 n MET 6 1 n ARG 7 1 n MET 8 1 n LEU 9 1 n LEU 10 1 n MET 11 1 n PHE 12 1 n ASP 13 1 n MET 14 1 n PRO 15 1 n THR 16 1 n ASP 17 1 n THR 18 1 n ALA 19 1 n LYS 20 1 n GLU 21 1 n ARG 22 1 n LYS 23 1 n ALA 24 1 n TYR 25 1 n ARG 26 1 n GLN 27 1 n PHE 28 1 n ARG 29 1 n ARG 30 1 n PHE 31 1 n ILE 32 1 n LEU 33 1 n SER 34 1 n GLU 35 1 n GLY 36 1 n PHE 37 1 n ILE 38 1 n MET 39 1 n HIS 40 1 n GLN 41 1 n TYR 42 1 n SER 43 1 n VAL 44 1 n TYR 45 1 n SER 46 1 n LYS 47 1 n ILE 48 1 n LEU 49 1 n LEU 50 1 n ASN 51 1 n GLY 52 1 n THR 53 1 n ALA 54 1 n SER 55 1 n LYS 56 1 n ALA 57 1 n MET 58 1 n LEU 59 1 n ALA 60 1 n ARG 61 1 n LEU 62 1 n LYS 63 1 n GLN 64 1 n GLN 65 1 n ASN 66 1 n PRO 67 1 n LYS 68 1 n LYS 69 1 n GLY 70 1 n LEU 71 1 n ILE 72 1 n THR 73 1 n LEU 74 1 n LEU 75 1 n THR 76 1 n VAL 77 1 n THR 78 1 n GLU 79 1 n LYS 80 1 n GLN 81 1 n PHE 82 1 n ALA 83 1 n ARG 84 1 n MET 85 1 n VAL 86 1 n TYR 87 1 n LEU 88 1 n SER 89 1 n GLY 90 1 n GLU 91 1 n GLN 92 1 n ASN 93 1 n LYS 94 1 n SER 95 1 n ILE 96 1 n GLY 97 1 n ASN 98 1 n SER 99 1 n ASP 100 1 n ALA 101 1 n ARG 102 1 n LEU 103 1 n VAL 104 1 n PHE 105 1 n LEU 106 1 n GLY 107 1 n ASP 108 1 n ASP 109 1 n ALA 110 1 n ASP 111 1 n GLU 112 1 n PHE 113 2 n MET 1 2 n PHE 2 2 n ASN 3 2 n LYS 4 2 n ALA 5 2 n GLU 6 2 n ILE 7 2 n MET 8 2 n LYS 9 2 n GLN 10 2 n ALA 11 2 n TRP 12 2 n ASN 13 2 n TRP 14 2 n PHE 15 2 n ASN 16 2 n ASP 17 2 n SER 18 2 n ASN 19 2 n ILE 20 2 n TRP 21 2 n LEU 22 2 n SER 23 2 n ASP 24 2 n ILE 25 2 n GLU 26 2 n TRP 27 2 n VAL 28 2 n SER 29 2 n TYR 30 2 n THR 31 2 n ASP 32 2 n LYS 33 2 n GLU 34 2 n LYS 35 2 n SER 36 2 n PHE 37 2 n SER 38 2 n VAL 39 2 n CYS 40 2 n LEU 41 2 n LYS 42 2 n ALA 43 2 n ALA 44 2 n TRP 45 2 n SER 46 2 n LYS 47 2 n ALA 48 2 n LYS 49 2 n GLU 50 2 n GLU 51 2 n VAL 52 2 n GLU 53 2 n GLU 54 2 n SER 55 2 n LYS 56 2 n LYS 57 2 n GLU 58 2 n SER 59 2 n LYS 60 2 n HIS 61 2 n ILE 62 2 n ALA 63 2 n LYS 64 2 n SER 65 2 n GLU 66 2 n GLU 67 2 n LEU 68 2 n LYS 69 2 n ALA 70 2 n TRP 71 2 n ASN 72 2 n TRP 73 2 n ALA 74 2 n GLU 75 2 n ARG 76 2 n LYS 77 2 n LEU 78 2 n GLY 79 2 n LEU 80 2 n HIS 81 2 n PHE 82 2 n ASN 83 2 n ILE 84 2 n SER 85 2 n ASP 86 2 n ASP 87 2 n GLU 88 2 n LYS 89 2 n PHE 90 2 n THR 91 2 n SER 92 2 n VAL 93 2 n LYS 94 2 n ASP 95 2 n GLU 96 2 n THR 97 2 n LYS 98 2 n ILE 99 2 n ASN 100 2 n PHE 101 2 n GLY 102 2 n LEU 103 2 n SER 104 2 n VAL 105 2 n TRP 106 2 n ALA 107 2 n CYS 108 2 n ALA 109 2 n MET 110 2 n LYS 111 2 n ALA 112 2 n VAL 113 2 n LYS 114 2 n LEU 115 2 n HIS 116 2 n ASN 117 2 n ASP 118 2 n LEU 119 2 n PHE 120 2 n PRO 121 2 n GLN 122 2 n THR 123 2 n ALA 124 2 n ALA 125 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-20 09:06:54)" _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 84.81 _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 41.08 1 1 A SER 2 2 52.21 1 2 A TYR 3 2 48.92 1 3 A ARG 4 2 57.85 1 4 A TYR 5 2 75.99 1 5 A MET 6 2 83.95 1 6 A ARG 7 2 83.87 1 7 A MET 8 2 90.21 1 8 A LEU 9 2 89.53 1 9 A LEU 10 2 92.94 1 10 A MET 11 2 89.37 1 11 A PHE 12 2 89.18 1 12 A ASP 13 2 86.86 1 13 A MET 14 2 91.05 1 14 A PRO 15 2 93.75 1 15 A THR 16 2 94.43 1 16 A ASP 17 2 91.22 1 17 A THR 18 2 94.44 1 18 A ALA 19 2 95.81 1 19 A LYS 20 2 84.57 1 20 A GLU 21 2 93.82 1 21 A ARG 22 2 94.61 1 22 A LYS 23 2 87.50 1 23 A ALA 24 2 93.69 1 24 A TYR 25 2 92.67 1 25 A ARG 26 2 86.61 1 26 A GLN 27 2 86.17 1 27 A PHE 28 2 93.74 1 28 A ARG 29 2 89.24 1 29 A ARG 30 2 82.98 1 30 A PHE 31 2 93.38 1 31 A ILE 32 2 90.46 1 32 A LEU 33 2 93.60 1 33 A SER 34 2 91.88 1 34 A GLU 35 2 92.35 1 35 A GLY 36 2 94.36 1 36 A PHE 37 2 94.98 1 37 A ILE 38 2 88.23 1 38 A MET 39 2 87.76 1 39 A HIS 40 2 82.77 1 40 A GLN 41 2 80.49 1 41 A TYR 42 2 79.89 1 42 A SER 43 2 85.98 1 43 A VAL 44 2 89.94 1 44 A TYR 45 2 93.11 1 45 A SER 46 2 93.71 1 46 A LYS 47 2 92.09 1 47 A ILE 48 2 88.25 1 48 A LEU 49 2 90.44 1 49 A LEU 50 2 84.18 1 50 A ASN 51 2 84.47 1 51 A GLY 52 2 87.27 1 52 A THR 53 2 87.37 1 53 A ALA 54 2 91.29 1 54 A SER 55 2 89.26 1 55 A LYS 56 2 82.56 1 56 A ALA 57 2 94.47 1 57 A MET 58 2 93.81 1 58 A LEU 59 2 89.64 1 59 A ALA 60 2 94.76 1 60 A ARG 61 2 87.98 1 61 A LEU 62 2 92.59 1 62 A LYS 63 2 86.63 1 63 A GLN 64 2 83.41 1 64 A GLN 65 2 84.61 1 65 A ASN 66 2 85.68 1 66 A PRO 67 2 87.42 1 67 A LYS 68 2 78.72 1 68 A LYS 69 2 76.76 1 69 A GLY 70 2 89.29 1 70 A LEU 71 2 87.39 1 71 A ILE 72 2 90.40 1 72 A THR 73 2 91.44 1 73 A LEU 74 2 90.00 1 74 A LEU 75 2 90.40 1 75 A THR 76 2 88.38 1 76 A VAL 77 2 87.60 1 77 A THR 78 2 85.11 1 78 A GLU 79 2 81.68 1 79 A LYS 80 2 76.53 1 80 A GLN 81 2 82.63 1 81 A PHE 82 2 85.74 1 82 A ALA 83 2 85.85 1 83 A ARG 84 2 74.46 1 84 A MET 85 2 77.50 1 85 A VAL 86 2 78.92 1 86 A TYR 87 2 68.62 1 87 A LEU 88 2 76.89 1 88 A SER 89 2 71.43 1 89 A GLY 90 2 66.41 1 90 A GLU 91 2 54.08 1 91 A GLN 92 2 55.66 1 92 A ASN 93 2 58.26 1 93 A LYS 94 2 53.19 1 94 A SER 95 2 59.06 1 95 A ILE 96 2 51.55 1 96 A GLY 97 2 58.40 1 97 A ASN 98 2 58.80 1 98 A SER 99 2 56.98 1 99 A ASP 100 2 54.20 1 100 A ALA 101 2 50.29 1 101 A ARG 102 2 43.18 1 102 A LEU 103 2 43.35 1 103 A VAL 104 2 45.12 1 104 A PHE 105 2 40.28 1 105 A LEU 106 2 47.32 1 106 A GLY 107 2 45.62 1 107 A ASP 108 2 36.53 1 108 A ASP 109 2 37.42 1 109 A ALA 110 2 34.97 1 110 A ASP 111 2 31.97 1 111 A GLU 112 2 28.32 1 112 A PHE 113 2 25.98 1 113 B MET 1 2 68.49 1 114 B PHE 2 2 88.12 1 115 B ASN 3 2 86.53 1 116 B LYS 4 2 84.80 1 117 B ALA 5 2 94.77 1 118 B GLU 6 2 83.44 1 119 B ILE 7 2 95.75 1 120 B MET 8 2 90.17 1 121 B LYS 9 2 88.51 1 122 B GLN 10 2 92.71 1 123 B ALA 11 2 97.31 1 124 B TRP 12 2 89.04 1 125 B ASN 13 2 89.88 1 126 B TRP 14 2 96.30 1 127 B PHE 15 2 96.36 1 128 B ASN 16 2 92.53 1 129 B ASP 17 2 94.38 1 130 B SER 18 2 92.99 1 131 B ASN 19 2 90.04 1 132 B ILE 20 2 93.62 1 133 B TRP 21 2 84.89 1 134 B LEU 22 2 90.36 1 135 B SER 23 2 90.87 1 136 B ASP 24 2 91.60 1 137 B ILE 25 2 94.69 1 138 B GLU 26 2 85.02 1 139 B TRP 27 2 93.94 1 140 B VAL 28 2 91.62 1 141 B SER 29 2 89.75 1 142 B TYR 30 2 77.62 1 143 B THR 31 2 88.88 1 144 B ASP 32 2 90.25 1 145 B LYS 33 2 81.41 1 146 B GLU 34 2 83.21 1 147 B LYS 35 2 94.08 1 148 B SER 36 2 95.79 1 149 B PHE 37 2 96.78 1 150 B SER 38 2 94.57 1 151 B VAL 39 2 96.42 1 152 B CYS 40 2 97.31 1 153 B LEU 41 2 95.76 1 154 B LYS 42 2 88.83 1 155 B ALA 43 2 97.04 1 156 B ALA 44 2 96.96 1 157 B TRP 45 2 92.67 1 158 B SER 46 2 94.67 1 159 B LYS 47 2 93.14 1 160 B ALA 48 2 96.11 1 161 B LYS 49 2 86.08 1 162 B GLU 50 2 90.64 1 163 B GLU 51 2 90.27 1 164 B VAL 52 2 91.80 1 165 B GLU 53 2 84.03 1 166 B GLU 54 2 84.55 1 167 B SER 55 2 87.61 1 168 B LYS 56 2 85.17 1 169 B LYS 57 2 84.94 1 170 B GLU 58 2 82.13 1 171 B SER 59 2 89.82 1 172 B LYS 60 2 84.11 1 173 B HIS 61 2 84.38 1 174 B ILE 62 2 95.14 1 175 B ALA 63 2 95.70 1 176 B LYS 64 2 86.97 1 177 B SER 65 2 97.27 1 178 B GLU 66 2 93.95 1 179 B GLU 67 2 95.55 1 180 B LEU 68 2 97.45 1 181 B LYS 69 2 88.89 1 182 B ALA 70 2 98.50 1 183 B TRP 71 2 98.03 1 184 B ASN 72 2 96.30 1 185 B TRP 73 2 94.13 1 186 B ALA 74 2 98.23 1 187 B GLU 75 2 96.01 1 188 B ARG 76 2 85.79 1 189 B LYS 77 2 89.84 1 190 B LEU 78 2 96.15 1 191 B GLY 79 2 96.77 1 192 B LEU 80 2 95.20 1 193 B HIS 81 2 88.21 1 194 B PHE 82 2 96.57 1 195 B ASN 83 2 89.98 1 196 B ILE 84 2 96.86 1 197 B SER 85 2 95.66 1 198 B ASP 86 2 95.64 1 199 B ASP 87 2 87.70 1 200 B GLU 88 2 96.39 1 201 B LYS 89 2 96.44 1 202 B PHE 90 2 97.01 1 203 B THR 91 2 91.91 1 204 B SER 92 2 95.47 1 205 B VAL 93 2 97.24 1 206 B LYS 94 2 88.00 1 207 B ASP 95 2 90.38 1 208 B GLU 96 2 92.15 1 209 B THR 97 2 92.39 1 210 B LYS 98 2 86.66 1 211 B ILE 99 2 89.12 1 212 B ASN 100 2 88.61 1 213 B PHE 101 2 75.73 1 214 B GLY 102 2 91.64 1 215 B LEU 103 2 91.34 1 216 B SER 104 2 96.69 1 217 B VAL 105 2 96.04 1 218 B TRP 106 2 93.44 1 219 B ALA 107 2 98.04 1 220 B CYS 108 2 97.70 1 221 B ALA 109 2 98.19 1 222 B MET 110 2 94.59 1 223 B LYS 111 2 91.42 1 224 B ALA 112 2 97.41 1 225 B VAL 113 2 97.56 1 226 B LYS 114 2 91.56 1 227 B LEU 115 2 93.88 1 228 B HIS 116 2 95.84 1 229 B ASN 117 2 94.82 1 230 B ASP 118 2 91.41 1 231 B LEU 119 2 92.73 1 232 B PHE 120 2 94.80 1 233 B PRO 121 2 93.58 1 234 B GLN 122 2 91.27 1 235 B THR 123 2 94.25 1 236 B ALA 124 2 90.90 1 237 B ALA 125 2 82.48 1 238 # _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 SER . 2 A 2 A 3 1 n TYR . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n TYR . 5 A 5 A 6 1 n MET . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n MET . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n MET . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n ASP . 13 A 13 A 14 1 n MET . 14 A 14 A 15 1 n PRO . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n ASP . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n LYS . 20 A 20 A 21 1 n GLU . 21 A 21 A 22 1 n ARG . 22 A 22 A 23 1 n LYS . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n TYR . 25 A 25 A 26 1 n ARG . 26 A 26 A 27 1 n GLN . 27 A 27 A 28 1 n PHE . 28 A 28 A 29 1 n ARG . 29 A 29 A 30 1 n ARG . 30 A 30 A 31 1 n PHE . 31 A 31 A 32 1 n ILE . 32 A 32 A 33 1 n LEU . 33 A 33 A 34 1 n SER . 34 A 34 A 35 1 n GLU . 35 A 35 A 36 1 n GLY . 36 A 36 A 37 1 n PHE . 37 A 37 A 38 1 n ILE . 38 A 38 A 39 1 n MET . 39 A 39 A 40 1 n HIS . 40 A 40 A 41 1 n GLN . 41 A 41 A 42 1 n TYR . 42 A 42 A 43 1 n SER . 43 A 43 A 44 1 n VAL . 44 A 44 A 45 1 n TYR . 45 A 45 A 46 1 n SER . 46 A 46 A 47 1 n LYS . 47 A 47 A 48 1 n ILE . 48 A 48 A 49 1 n LEU . 49 A 49 A 50 1 n LEU . 50 A 50 A 51 1 n ASN . 51 A 51 A 52 1 n GLY . 52 A 52 A 53 1 n THR . 53 A 53 A 54 1 n ALA . 54 A 54 A 55 1 n SER . 55 A 55 A 56 1 n LYS . 56 A 56 A 57 1 n ALA . 57 A 57 A 58 1 n MET . 58 A 58 A 59 1 n LEU . 59 A 59 A 60 1 n ALA . 60 A 60 A 61 1 n ARG . 61 A 61 A 62 1 n LEU . 62 A 62 A 63 1 n LYS . 63 A 63 A 64 1 n GLN . 64 A 64 A 65 1 n GLN . 65 A 65 A 66 1 n ASN . 66 A 66 A 67 1 n PRO . 67 A 67 A 68 1 n LYS . 68 A 68 A 69 1 n LYS . 69 A 69 A 70 1 n GLY . 70 A 70 A 71 1 n LEU . 71 A 71 A 72 1 n ILE . 72 A 72 A 73 1 n THR . 73 A 73 A 74 1 n LEU . 74 A 74 A 75 1 n LEU . 75 A 75 A 76 1 n THR . 76 A 76 A 77 1 n VAL . 77 A 77 A 78 1 n THR . 78 A 78 A 79 1 n GLU . 79 A 79 A 80 1 n LYS . 80 A 80 A 81 1 n GLN . 81 A 81 A 82 1 n PHE . 82 A 82 A 83 1 n ALA . 83 A 83 A 84 1 n ARG . 84 A 84 A 85 1 n MET . 85 A 85 A 86 1 n VAL . 86 A 86 A 87 1 n TYR . 87 A 87 A 88 1 n LEU . 88 A 88 A 89 1 n SER . 89 A 89 A 90 1 n GLY . 90 A 90 A 91 1 n GLU . 91 A 91 A 92 1 n GLN . 92 A 92 A 93 1 n ASN . 93 A 93 A 94 1 n LYS . 94 A 94 A 95 1 n SER . 95 A 95 A 96 1 n ILE . 96 A 96 A 97 1 n GLY . 97 A 97 A 98 1 n ASN . 98 A 98 A 99 1 n SER . 99 A 99 A 100 1 n ASP . 100 A 100 A 101 1 n ALA . 101 A 101 A 102 1 n ARG . 102 A 102 A 103 1 n LEU . 103 A 103 A 104 1 n VAL . 104 A 104 A 105 1 n PHE . 105 A 105 A 106 1 n LEU . 106 A 106 A 107 1 n GLY . 107 A 107 A 108 1 n ASP . 108 A 108 A 109 1 n ASP . 109 A 109 A 110 1 n ALA . 110 A 110 A 111 1 n ASP . 111 A 111 A 112 1 n GLU . 112 A 112 A 113 1 n PHE . 113 A 113 B 1 2 n MET . 1 B 1 B 2 2 n PHE . 2 B 2 B 3 2 n ASN . 3 B 3 B 4 2 n LYS . 4 B 4 B 5 2 n ALA . 5 B 5 B 6 2 n GLU . 6 B 6 B 7 2 n ILE . 7 B 7 B 8 2 n MET . 8 B 8 B 9 2 n LYS . 9 B 9 B 10 2 n GLN . 10 B 10 B 11 2 n ALA . 11 B 11 B 12 2 n TRP . 12 B 12 B 13 2 n ASN . 13 B 13 B 14 2 n TRP . 14 B 14 B 15 2 n PHE . 15 B 15 B 16 2 n ASN . 16 B 16 B 17 2 n ASP . 17 B 17 B 18 2 n SER . 18 B 18 B 19 2 n ASN . 19 B 19 B 20 2 n ILE . 20 B 20 B 21 2 n TRP . 21 B 21 B 22 2 n LEU . 22 B 22 B 23 2 n SER . 23 B 23 B 24 2 n ASP . 24 B 24 B 25 2 n ILE . 25 B 25 B 26 2 n GLU . 26 B 26 B 27 2 n TRP . 27 B 27 B 28 2 n VAL . 28 B 28 B 29 2 n SER . 29 B 29 B 30 2 n TYR . 30 B 30 B 31 2 n THR . 31 B 31 B 32 2 n ASP . 32 B 32 B 33 2 n LYS . 33 B 33 B 34 2 n GLU . 34 B 34 B 35 2 n LYS . 35 B 35 B 36 2 n SER . 36 B 36 B 37 2 n PHE . 37 B 37 B 38 2 n SER . 38 B 38 B 39 2 n VAL . 39 B 39 B 40 2 n CYS . 40 B 40 B 41 2 n LEU . 41 B 41 B 42 2 n LYS . 42 B 42 B 43 2 n ALA . 43 B 43 B 44 2 n ALA . 44 B 44 B 45 2 n TRP . 45 B 45 B 46 2 n SER . 46 B 46 B 47 2 n LYS . 47 B 47 B 48 2 n ALA . 48 B 48 B 49 2 n LYS . 49 B 49 B 50 2 n GLU . 50 B 50 B 51 2 n GLU . 51 B 51 B 52 2 n VAL . 52 B 52 B 53 2 n GLU . 53 B 53 B 54 2 n GLU . 54 B 54 B 55 2 n SER . 55 B 55 B 56 2 n LYS . 56 B 56 B 57 2 n LYS . 57 B 57 B 58 2 n GLU . 58 B 58 B 59 2 n SER . 59 B 59 B 60 2 n LYS . 60 B 60 B 61 2 n HIS . 61 B 61 B 62 2 n ILE . 62 B 62 B 63 2 n ALA . 63 B 63 B 64 2 n LYS . 64 B 64 B 65 2 n SER . 65 B 65 B 66 2 n GLU . 66 B 66 B 67 2 n GLU . 67 B 67 B 68 2 n LEU . 68 B 68 B 69 2 n LYS . 69 B 69 B 70 2 n ALA . 70 B 70 B 71 2 n TRP . 71 B 71 B 72 2 n ASN . 72 B 72 B 73 2 n TRP . 73 B 73 B 74 2 n ALA . 74 B 74 B 75 2 n GLU . 75 B 75 B 76 2 n ARG . 76 B 76 B 77 2 n LYS . 77 B 77 B 78 2 n LEU . 78 B 78 B 79 2 n GLY . 79 B 79 B 80 2 n LEU . 80 B 80 B 81 2 n HIS . 81 B 81 B 82 2 n PHE . 82 B 82 B 83 2 n ASN . 83 B 83 B 84 2 n ILE . 84 B 84 B 85 2 n SER . 85 B 85 B 86 2 n ASP . 86 B 86 B 87 2 n ASP . 87 B 87 B 88 2 n GLU . 88 B 88 B 89 2 n LYS . 89 B 89 B 90 2 n PHE . 90 B 90 B 91 2 n THR . 91 B 91 B 92 2 n SER . 92 B 92 B 93 2 n VAL . 93 B 93 B 94 2 n LYS . 94 B 94 B 95 2 n ASP . 95 B 95 B 96 2 n GLU . 96 B 96 B 97 2 n THR . 97 B 97 B 98 2 n LYS . 98 B 98 B 99 2 n ILE . 99 B 99 B 100 2 n ASN . 100 B 100 B 101 2 n PHE . 101 B 101 B 102 2 n GLY . 102 B 102 B 103 2 n LEU . 103 B 103 B 104 2 n SER . 104 B 104 B 105 2 n VAL . 105 B 105 B 106 2 n TRP . 106 B 106 B 107 2 n ALA . 107 B 107 B 108 2 n CYS . 108 B 108 B 109 2 n ALA . 109 B 109 B 110 2 n MET . 110 B 110 B 111 2 n LYS . 111 B 111 B 112 2 n ALA . 112 B 112 B 113 2 n VAL . 113 B 113 B 114 2 n LYS . 114 B 114 B 115 2 n LEU . 115 B 115 B 116 2 n HIS . 116 B 116 B 117 2 n ASN . 117 B 117 B 118 2 n ASP . 118 B 118 B 119 2 n LEU . 119 B 119 B 120 2 n PHE . 120 B 120 B 121 2 n PRO . 121 B 121 B 122 2 n GLN . 122 B 122 B 123 2 n THR . 123 B 123 B 124 2 n ALA . 124 B 124 B 125 2 n ALA . 125 B 125 # _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 ? -23.345 -8.367 33.036 1.00 40.12 1 A 1 ATOM 2 C CA . MET A 1 1 ? -23.375 -7.579 31.781 1.00 44.67 1 A 1 ATOM 3 C C . MET A 1 1 ? -23.202 -8.550 30.626 1.00 48.61 1 A 1 ATOM 4 O O . MET A 1 1 ? -22.240 -9.301 30.632 1.00 45.92 1 A 1 ATOM 5 C CB . MET A 1 1 ? -22.257 -6.528 31.760 1.00 43.18 1 A 1 ATOM 6 C CG . MET A 1 1 ? -22.551 -5.358 32.711 1.00 38.10 1 A 1 ATOM 7 S SD . MET A 1 1 ? -21.185 -4.178 32.804 1.00 36.04 1 A 1 ATOM 8 C CE . MET A 1 1 ? -21.893 -2.932 33.908 1.00 32.02 1 A 1 ATOM 9 N N . SER A 1 2 ? -24.155 -8.611 29.686 1.00 51.76 2 A 1 ATOM 10 C CA . SER A 1 2 ? -24.055 -9.519 28.542 1.00 54.57 2 A 1 ATOM 11 C C . SER A 1 2 ? -22.968 -8.982 27.611 1.00 57.78 2 A 1 ATOM 12 O O . SER A 1 2 ? -23.178 -7.965 26.953 1.00 54.29 2 A 1 ATOM 13 C CB . SER A 1 2 ? -25.412 -9.627 27.838 1.00 50.62 2 A 1 ATOM 14 O OG . SER A 1 2 ? -25.327 -10.405 26.665 1.00 44.22 2 A 1 ATOM 15 N N . TYR A 1 3 ? -21.801 -9.625 27.594 1.00 58.97 3 A 1 ATOM 16 C CA . TYR A 1 3 ? -20.734 -9.327 26.644 1.00 60.20 3 A 1 ATOM 17 C C . TYR A 1 3 ? -21.228 -9.734 25.250 1.00 63.67 3 A 1 ATOM 18 O O . TYR A 1 3 ? -21.099 -10.879 24.834 1.00 59.32 3 A 1 ATOM 19 C CB . TYR A 1 3 ? -19.442 -10.056 27.042 1.00 54.74 3 A 1 ATOM 20 C CG . TYR A 1 3 ? -18.727 -9.456 28.236 1.00 49.93 3 A 1 ATOM 21 C CD1 . TYR A 1 3 ? -17.783 -8.428 28.042 1.00 45.25 3 A 1 ATOM 22 C CD2 . TYR A 1 3 ? -18.976 -9.930 29.537 1.00 43.99 3 A 1 ATOM 23 C CE1 . TYR A 1 3 ? -17.095 -7.878 29.135 1.00 39.01 3 A 1 ATOM 24 C CE2 . TYR A 1 3 ? -18.295 -9.382 30.637 1.00 39.35 3 A 1 ATOM 25 C CZ . TYR A 1 3 ? -17.352 -8.358 30.432 1.00 37.78 3 A 1 ATOM 26 O OH . TYR A 1 3 ? -16.677 -7.822 31.504 1.00 34.81 3 A 1 ATOM 27 N N . ARG A 1 4 ? -21.880 -8.797 24.559 1.00 69.88 4 A 1 ATOM 28 C CA . ARG A 1 4 ? -22.317 -8.998 23.182 1.00 73.16 4 A 1 ATOM 29 C C . ARG A 1 4 ? -21.129 -8.712 22.282 1.00 77.28 4 A 1 ATOM 30 O O . ARG A 1 4 ? -20.780 -7.550 22.087 1.00 73.87 4 A 1 ATOM 31 C CB . ARG A 1 4 ? -23.532 -8.124 22.844 1.00 65.78 4 A 1 ATOM 32 C CG . ARG A 1 4 ? -24.801 -8.615 23.553 1.00 57.61 4 A 1 ATOM 33 C CD . ARG A 1 4 ? -26.014 -7.794 23.113 1.00 52.96 4 A 1 ATOM 34 N NE . ARG A 1 4 ? -27.238 -8.242 23.799 1.00 47.66 4 A 1 ATOM 35 C CZ . ARG A 1 4 ? -28.458 -7.737 23.639 1.00 42.51 4 A 1 ATOM 36 N NH1 . ARG A 1 4 ? -28.689 -6.753 22.815 1.00 39.28 4 A 1 ATOM 37 N NH2 . ARG A 1 4 ? -29.459 -8.224 24.316 1.00 36.41 4 A 1 ATOM 38 N N . TYR A 1 5 ? -20.545 -9.776 21.742 1.00 82.53 5 A 1 ATOM 39 C CA . TYR A 1 5 ? -19.583 -9.656 20.662 1.00 84.95 5 A 1 ATOM 40 C C . TYR A 1 5 ? -20.231 -8.910 19.497 1.00 86.48 5 A 1 ATOM 41 O O . TYR A 1 5 ? -21.392 -9.147 19.134 1.00 84.30 5 A 1 ATOM 42 C CB . TYR A 1 5 ? -19.074 -11.036 20.241 1.00 81.48 5 A 1 ATOM 43 C CG . TYR A 1 5 ? -18.273 -11.726 21.325 1.00 79.09 5 A 1 ATOM 44 C CD1 . TYR A 1 5 ? -16.926 -11.376 21.530 1.00 72.74 5 A 1 ATOM 45 C CD2 . TYR A 1 5 ? -18.867 -12.706 22.143 1.00 71.85 5 A 1 ATOM 46 C CE1 . TYR A 1 5 ? -16.172 -12.003 22.538 1.00 67.95 5 A 1 ATOM 47 C CE2 . TYR A 1 5 ? -18.123 -13.335 23.156 1.00 67.77 5 A 1 ATOM 48 C CZ . TYR A 1 5 ? -16.773 -12.981 23.349 1.00 67.42 5 A 1 ATOM 49 O OH . TYR A 1 5 ? -16.039 -13.596 24.329 1.00 65.31 5 A 1 ATOM 50 N N . MET A 1 6 ? -19.479 -7.970 18.955 1.00 89.22 6 A 1 ATOM 51 C CA . MET A 1 6 ? -19.858 -7.201 17.781 1.00 90.31 6 A 1 ATOM 52 C C . MET A 1 6 ? -18.973 -7.633 16.627 1.00 91.69 6 A 1 ATOM 53 O O . MET A 1 6 ? -17.778 -7.866 16.818 1.00 90.08 6 A 1 ATOM 54 C CB . MET A 1 6 ? -19.701 -5.700 18.053 1.00 87.11 6 A 1 ATOM 55 C CG . MET A 1 6 ? -20.573 -5.187 19.214 1.00 81.12 6 A 1 ATOM 56 S SD . MET A 1 6 ? -22.373 -5.340 19.013 1.00 75.98 6 A 1 ATOM 57 C CE . MET A 1 6 ? -22.649 -4.239 17.620 1.00 66.07 6 A 1 ATOM 58 N N . ARG A 1 7 ? -19.529 -7.679 15.431 1.00 91.73 7 A 1 ATOM 59 C CA . ARG A 1 7 ? -18.751 -7.872 14.214 1.00 92.46 7 A 1 ATOM 60 C C . ARG A 1 7 ? -18.848 -6.634 13.340 1.00 93.21 7 A 1 ATOM 61 O O . ARG A 1 7 ? -19.926 -6.119 13.078 1.00 91.98 7 A 1 ATOM 62 C CB . ARG A 1 7 ? -19.168 -9.168 13.515 1.00 90.50 7 A 1 ATOM 63 C CG . ARG A 1 7 ? -18.145 -9.529 12.433 1.00 82.51 7 A 1 ATOM 64 C CD . ARG A 1 7 ? -18.396 -10.914 11.861 1.00 81.22 7 A 1 ATOM 65 N NE . ARG A 1 7 ? -18.056 -11.999 12.784 1.00 79.61 7 A 1 ATOM 66 C CZ . ARG A 1 7 ? -17.131 -12.934 12.624 1.00 78.38 7 A 1 ATOM 67 N NH1 . ARG A 1 7 ? -16.255 -12.904 11.663 1.00 69.25 7 A 1 ATOM 68 N NH2 . ARG A 1 7 ? -17.086 -13.939 13.432 1.00 71.70 7 A 1 ATOM 69 N N . MET A 1 8 ? -17.697 -6.142 12.945 1.00 94.03 8 A 1 ATOM 70 C CA . MET A 1 8 ? -17.575 -5.014 12.041 1.00 94.34 8 A 1 ATOM 71 C C . MET A 1 8 ? -17.283 -5.541 10.644 1.00 94.84 8 A 1 ATOM 72 O O . MET A 1 8 ? -16.314 -6.274 10.467 1.00 94.05 8 A 1 ATOM 73 C CB . MET A 1 8 ? -16.475 -4.093 12.575 1.00 93.12 8 A 1 ATOM 74 C CG . MET A 1 8 ? -16.351 -2.788 11.799 1.00 85.76 8 A 1 ATOM 75 S SD . MET A 1 8 ? -15.189 -1.616 12.578 1.00 86.36 8 A 1 ATOM 76 C CE . MET A 1 8 ? -16.197 -1.035 13.957 1.00 79.15 8 A 1 ATOM 77 N N . LEU A 1 9 ? -18.109 -5.172 9.668 1.00 94.60 9 A 1 ATOM 78 C CA . LEU A 1 9 ? -17.911 -5.426 8.248 1.00 94.44 9 A 1 ATOM 79 C C . LEU A 1 9 ? -17.405 -4.149 7.589 1.00 94.90 9 A 1 ATOM 80 O O . LEU A 1 9 ? -18.048 -3.104 7.684 1.00 93.74 9 A 1 ATOM 81 C CB . LEU A 1 9 ? -19.228 -5.890 7.604 1.00 93.06 9 A 1 ATOM 82 C CG . LEU A 1 9 ? -19.634 -7.326 7.973 1.00 86.31 9 A 1 ATOM 83 C CD1 . LEU A 1 9 ? -21.088 -7.573 7.596 1.00 80.35 9 A 1 ATOM 84 C CD2 . LEU A 1 9 ? -18.764 -8.346 7.236 1.00 78.88 9 A 1 ATOM 85 N N . LEU A 1 10 ? -16.260 -4.238 6.939 1.00 95.54 10 A 1 ATOM 86 C CA . LEU A 1 10 ? -15.675 -3.164 6.153 1.00 95.70 10 A 1 ATOM 87 C C . LEU A 1 10 ? -15.731 -3.563 4.682 1.00 95.69 10 A 1 ATOM 88 O O . LEU A 1 10 ? -15.123 -4.557 4.289 1.00 94.67 10 A 1 ATOM 89 C CB . LEU A 1 10 ? -14.243 -2.912 6.648 1.00 95.06 10 A 1 ATOM 90 C CG . LEU A 1 10 ? -13.491 -1.827 5.861 1.00 93.11 10 A 1 ATOM 91 C CD1 . LEU A 1 10 ? -14.077 -0.437 6.089 1.00 87.29 10 A 1 ATOM 92 C CD2 . LEU A 1 10 ? -12.037 -1.806 6.321 1.00 86.46 10 A 1 ATOM 93 N N . MET A 1 11 ? -16.448 -2.778 3.889 1.00 95.40 11 A 1 ATOM 94 C CA . MET A 1 11 ? -16.574 -2.940 2.448 1.00 94.92 11 A 1 ATOM 95 C C . MET A 1 11 ? -15.943 -1.730 1.783 1.00 94.87 11 A 1 ATOM 96 O O . MET A 1 11 ? -16.211 -0.600 2.190 1.00 93.39 11 A 1 ATOM 97 C CB . MET A 1 11 ? -18.050 -3.068 2.060 1.00 93.30 11 A 1 ATOM 98 C CG . MET A 1 11 ? -18.722 -4.285 2.702 1.00 89.31 11 A 1 ATOM 99 S SD . MET A 1 11 ? -20.537 -4.272 2.663 1.00 82.92 11 A 1 ATOM 100 C CE . MET A 1 11 ? -20.870 -2.997 3.889 1.00 70.82 11 A 1 ATOM 101 N N . PHE A 1 12 ? -15.096 -1.938 0.779 1.00 93.87 12 A 1 ATOM 102 C CA . PHE A 1 12 ? -14.473 -0.828 0.070 1.00 93.43 12 A 1 ATOM 103 C C . PHE A 1 12 ? -14.331 -1.094 -1.424 1.00 93.59 12 A 1 ATOM 104 O O . PHE A 1 12 ? -13.899 -2.163 -1.847 1.00 91.90 12 A 1 ATOM 105 C CB . PHE A 1 12 ? -13.146 -0.432 0.732 1.00 90.71 12 A 1 ATOM 106 C CG . PHE A 1 12 ? -12.066 -1.493 0.703 1.00 91.29 12 A 1 ATOM 107 C CD1 . PHE A 1 12 ? -11.968 -2.441 1.742 1.00 87.41 12 A 1 ATOM 108 C CD2 . PHE A 1 12 ? -11.147 -1.531 -0.357 1.00 87.37 12 A 1 ATOM 109 C CE1 . PHE A 1 12 ? -10.962 -3.416 1.718 1.00 84.09 12 A 1 ATOM 110 C CE2 . PHE A 1 12 ? -10.137 -2.507 -0.388 1.00 83.80 12 A 1 ATOM 111 C CZ . PHE A 1 12 ? -10.046 -3.451 0.653 1.00 83.50 12 A 1 ATOM 112 N N . ASP A 1 13 ? -14.670 -0.059 -2.193 1.00 93.10 13 A 1 ATOM 113 C CA . ASP A 1 13 ? -14.463 0.023 -3.629 1.00 92.45 13 A 1 ATOM 114 C C . ASP A 1 13 ? -13.624 1.271 -3.899 1.00 92.79 13 A 1 ATOM 115 O O . ASP A 1 13 ? -14.062 2.401 -3.675 1.00 89.84 13 A 1 ATOM 116 C CB . ASP A 1 13 ? -15.816 0.047 -4.340 1.00 89.73 13 A 1 ATOM 117 C CG . ASP A 1 13 ? -15.663 0.061 -5.856 1.00 82.15 13 A 1 ATOM 118 O OD1 . ASP A 1 13 ? -14.523 -0.166 -6.326 1.00 78.05 13 A 1 ATOM 119 O OD2 . ASP A 1 13 ? -16.695 0.299 -6.519 1.00 76.74 13 A 1 ATOM 120 N N . MET A 1 14 ? -12.356 1.063 -4.248 1.00 93.49 14 A 1 ATOM 121 C CA . MET A 1 14 ? -11.380 2.132 -4.446 1.00 93.86 14 A 1 ATOM 122 C C . MET A 1 14 ? -10.881 2.125 -5.890 1.00 94.17 14 A 1 ATOM 123 O O . MET A 1 14 ? -10.679 1.051 -6.453 1.00 93.09 14 A 1 ATOM 124 C CB . MET A 1 14 ? -10.201 1.984 -3.475 1.00 92.81 14 A 1 ATOM 125 C CG . MET A 1 14 ? -10.584 2.263 -2.017 1.00 90.36 14 A 1 ATOM 126 S SD . MET A 1 14 ? -9.213 2.121 -0.818 1.00 89.07 14 A 1 ATOM 127 C CE . MET A 1 14 ? -8.073 3.375 -1.453 1.00 81.53 14 A 1 ATOM 128 N N . PRO A 1 15 ? -10.603 3.311 -6.482 1.00 94.72 15 A 1 ATOM 129 C CA . PRO A 1 15 ? -10.001 3.379 -7.807 1.00 94.72 15 A 1 ATOM 130 C C . PRO A 1 15 ? -8.610 2.730 -7.795 1.00 95.32 15 A 1 ATOM 131 O O . PRO A 1 15 ? -7.848 2.857 -6.828 1.00 94.15 15 A 1 ATOM 132 C CB . PRO A 1 15 ? -9.962 4.867 -8.163 1.00 92.99 15 A 1 ATOM 133 C CG . PRO A 1 15 ? -9.894 5.555 -6.802 1.00 90.90 15 A 1 ATOM 134 C CD . PRO A 1 15 ? -10.737 4.641 -5.915 1.00 93.45 15 A 1 ATOM 135 N N . THR A 1 16 ? -8.284 2.009 -8.876 1.00 95.50 16 A 1 ATOM 136 C CA . THR A 1 16 ? -7.054 1.206 -8.989 1.00 95.75 16 A 1 ATOM 137 C C . THR A 1 16 ? -6.331 1.372 -10.328 1.00 96.23 16 A 1 ATOM 138 O O . THR A 1 16 ? -5.334 0.692 -10.568 1.00 95.33 16 A 1 ATOM 139 C CB . THR A 1 16 ? -7.345 -0.279 -8.728 1.00 94.69 16 A 1 ATOM 140 O OG1 . THR A 1 16 ? -8.319 -0.773 -9.614 1.00 92.20 16 A 1 ATOM 141 C CG2 . THR A 1 16 ? -7.840 -0.539 -7.302 1.00 91.34 16 A 1 ATOM 142 N N . ASP A 1 17 ? -6.755 2.313 -11.176 1.00 95.30 17 A 1 ATOM 143 C CA . ASP A 1 17 ? -6.222 2.472 -12.536 1.00 95.10 17 A 1 ATOM 144 C C . ASP A 1 17 ? -4.770 2.968 -12.548 1.00 95.77 17 A 1 ATOM 145 O O . ASP A 1 17 ? -3.936 2.523 -13.340 1.00 94.35 17 A 1 ATOM 146 C CB . ASP A 1 17 ? -7.114 3.442 -13.323 1.00 93.84 17 A 1 ATOM 147 C CG . ASP A 1 17 ? -8.548 2.931 -13.446 1.00 89.47 17 A 1 ATOM 148 O OD1 . ASP A 1 17 ? -8.704 1.696 -13.600 1.00 83.78 17 A 1 ATOM 149 O OD2 . ASP A 1 17 ? -9.460 3.773 -13.340 1.00 82.19 17 A 1 ATOM 150 N N . THR A 1 18 ? -4.411 3.858 -11.614 1.00 96.03 18 A 1 ATOM 151 C CA . THR A 1 18 ? -3.055 4.406 -11.514 1.00 96.14 18 A 1 ATOM 152 C C . THR A 1 18 ? -2.222 3.685 -10.450 1.00 96.57 18 A 1 ATOM 153 O O . THR A 1 18 ? -2.729 3.230 -9.419 1.00 96.18 18 A 1 ATOM 154 C CB . THR A 1 18 ? -3.069 5.918 -11.256 1.00 95.41 18 A 1 ATOM 155 O OG1 . THR A 1 18 ? -3.527 6.200 -9.962 1.00 91.10 18 A 1 ATOM 156 C CG2 . THR A 1 18 ? -3.921 6.699 -12.255 1.00 89.68 18 A 1 ATOM 157 N N . ALA A 1 19 ? -0.892 3.656 -10.639 1.00 96.18 19 A 1 ATOM 158 C CA . ALA A 1 19 ? 0.028 3.110 -9.630 1.00 96.17 19 A 1 ATOM 159 C C . ALA A 1 19 ? -0.130 3.786 -8.253 1.00 95.99 19 A 1 ATOM 160 O O . ALA A 1 19 ? -0.039 3.134 -7.210 1.00 94.91 19 A 1 ATOM 161 C CB . ALA A 1 19 ? 1.460 3.258 -10.156 1.00 95.80 19 A 1 ATOM 162 N N . LYS A 1 20 ? -0.425 5.094 -8.234 1.00 95.27 20 A 1 ATOM 163 C CA . LYS A 1 20 ? -0.685 5.853 -7.001 1.00 94.47 20 A 1 ATOM 164 C C . LYS A 1 20 ? -1.945 5.367 -6.280 1.00 94.63 20 A 1 ATOM 165 O O . LYS A 1 20 ? -1.949 5.277 -5.049 1.00 93.86 20 A 1 ATOM 166 C CB . LYS A 1 20 ? -0.769 7.350 -7.342 1.00 93.43 20 A 1 ATOM 167 C CG . LYS A 1 20 ? -0.902 8.237 -6.092 1.00 84.10 20 A 1 ATOM 168 C CD . LYS A 1 20 ? -0.911 9.722 -6.473 1.00 79.38 20 A 1 ATOM 169 C CE . LYS A 1 20 ? -0.996 10.615 -5.230 1.00 66.77 20 A 1 ATOM 170 N NZ . LYS A 1 20 ? -0.890 12.060 -5.572 1.00 59.20 20 A 1 ATOM 171 N N . GLU A 1 21 ? -2.999 5.047 -7.020 1.00 95.17 21 A 1 ATOM 172 C CA . GLU A 1 21 ? -4.250 4.518 -6.470 1.00 95.04 21 A 1 ATOM 173 C C . GLU A 1 21 ? -4.067 3.092 -5.946 1.00 94.98 21 A 1 ATOM 174 O O . GLU A 1 21 ? -4.424 2.819 -4.797 1.00 94.69 21 A 1 ATOM 175 C CB . GLU A 1 21 ? -5.337 4.563 -7.541 1.00 95.03 21 A 1 ATOM 176 C CG . GLU A 1 21 ? -5.809 6.004 -7.727 1.00 94.02 21 A 1 ATOM 177 C CD . GLU A 1 21 ? -6.545 6.240 -9.038 1.00 94.18 21 A 1 ATOM 178 O OE1 . GLU A 1 21 ? -7.309 7.230 -9.055 1.00 90.28 21 A 1 ATOM 179 O OE2 . GLU A 1 21 ? -6.253 5.508 -10.002 1.00 90.98 21 A 1 ATOM 180 N N . ARG A 1 22 ? -3.387 2.228 -6.708 1.00 96.07 22 A 1 ATOM 181 C CA . ARG A 1 22 ? -3.043 0.870 -6.259 1.00 96.10 22 A 1 ATOM 182 C C . ARG A 1 22 ? -2.158 0.885 -5.006 1.00 95.59 22 A 1 ATOM 183 O O . ARG A 1 22 ? -2.376 0.094 -4.087 1.00 95.20 22 A 1 ATOM 184 C CB . ARG A 1 22 ? -2.373 0.098 -7.400 1.00 96.51 22 A 1 ATOM 185 C CG . ARG A 1 22 ? -3.349 -0.154 -8.567 1.00 95.97 22 A 1 ATOM 186 C CD . ARG A 1 22 ? -2.797 -1.161 -9.571 1.00 95.78 22 A 1 ATOM 187 N NE . ARG A 1 22 ? -1.545 -0.707 -10.205 1.00 94.76 22 A 1 ATOM 188 C CZ . ARG A 1 22 ? -1.421 0.006 -11.315 1.00 95.82 22 A 1 ATOM 189 N NH1 . ARG A 1 22 ? -2.444 0.430 -12.002 1.00 88.16 22 A 1 ATOM 190 N NH2 . ARG A 1 22 ? -0.231 0.283 -11.756 1.00 90.74 22 A 1 ATOM 191 N N . LYS A 1 23 ? -1.211 1.825 -4.906 1.00 94.48 23 A 1 ATOM 192 C CA . LYS A 1 23 ? -0.417 2.033 -3.684 1.00 93.79 23 A 1 ATOM 193 C C . LYS A 1 23 ? -1.304 2.411 -2.495 1.00 93.73 23 A 1 ATOM 194 O O . LYS A 1 23 ? -1.147 1.832 -1.419 1.00 93.07 23 A 1 ATOM 195 C CB . LYS A 1 23 ? 0.679 3.072 -3.955 1.00 93.02 23 A 1 ATOM 196 C CG . LYS A 1 23 ? 1.661 3.239 -2.779 1.00 89.17 23 A 1 ATOM 197 C CD . LYS A 1 23 ? 2.875 4.082 -3.201 1.00 85.43 23 A 1 ATOM 198 C CE . LYS A 1 23 ? 3.954 4.148 -2.111 1.00 76.53 23 A 1 ATOM 199 N NZ . LYS A 1 23 ? 5.289 4.544 -2.663 1.00 68.28 23 A 1 ATOM 200 N N . ALA A 1 24 ? -2.247 3.329 -2.680 1.00 94.14 24 A 1 ATOM 201 C CA . ALA A 1 24 ? -3.196 3.706 -1.628 1.00 93.68 24 A 1 ATOM 202 C C . ALA A 1 24 ? -4.095 2.525 -1.210 1.00 93.92 24 A 1 ATOM 203 O O . ALA A 1 24 ? -4.284 2.298 -0.014 1.00 93.48 24 A 1 ATOM 204 C CB . ALA A 1 24 ? -4.023 4.911 -2.104 1.00 93.22 24 A 1 ATOM 205 N N . TYR A 1 25 ? -4.570 1.732 -2.170 1.00 94.19 25 A 1 ATOM 206 C CA . TYR A 1 25 ? -5.334 0.508 -1.904 1.00 94.69 25 A 1 ATOM 207 C C . TYR A 1 25 ? -4.529 -0.482 -1.055 1.00 94.62 25 A 1 ATOM 208 O O . TYR A 1 25 ? -4.996 -0.913 0.004 1.00 94.25 25 A 1 ATOM 209 C CB . TYR A 1 25 ? -5.757 -0.127 -3.238 1.00 94.50 25 A 1 ATOM 210 C CG . TYR A 1 25 ? -6.655 -1.343 -3.083 1.00 94.41 25 A 1 ATOM 211 C CD1 . TYR A 1 25 ? -6.136 -2.586 -2.670 1.00 92.14 25 A 1 ATOM 212 C CD2 . TYR A 1 25 ? -8.036 -1.230 -3.349 1.00 91.70 25 A 1 ATOM 213 C CE1 . TYR A 1 25 ? -6.982 -3.696 -2.502 1.00 90.40 25 A 1 ATOM 214 C CE2 . TYR A 1 25 ? -8.887 -2.334 -3.194 1.00 90.33 25 A 1 ATOM 215 C CZ . TYR A 1 25 ? -8.356 -3.566 -2.762 1.00 91.20 25 A 1 ATOM 216 O OH . TYR A 1 25 ? -9.192 -4.642 -2.596 1.00 89.58 25 A 1 ATOM 217 N N . ARG A 1 26 ? -3.289 -0.800 -1.464 1.00 94.30 26 A 1 ATOM 218 C CA . ARG A 1 26 ? -2.418 -1.725 -0.717 1.00 93.97 26 A 1 ATOM 219 C C . ARG A 1 26 ? -2.104 -1.220 0.691 1.00 93.85 26 A 1 ATOM 220 O O . ARG A 1 26 ? -2.147 -2.002 1.638 1.00 93.20 26 A 1 ATOM 221 C CB . ARG A 1 26 ? -1.114 -1.974 -1.485 1.00 93.50 26 A 1 ATOM 222 C CG . ARG A 1 26 ? -1.311 -2.898 -2.703 1.00 88.52 26 A 1 ATOM 223 C CD . ARG A 1 26 ? 0.036 -3.293 -3.314 1.00 88.00 26 A 1 ATOM 224 N NE . ARG A 1 26 ? 0.743 -2.124 -3.874 1.00 83.21 26 A 1 ATOM 225 C CZ . ARG A 1 26 ? 0.779 -1.748 -5.141 1.00 81.08 26 A 1 ATOM 226 N NH1 . ARG A 1 26 ? 0.183 -2.405 -6.094 1.00 70.11 26 A 1 ATOM 227 N NH2 . ARG A 1 26 ? 1.442 -0.687 -5.484 1.00 72.96 26 A 1 ATOM 228 N N . GLN A 1 27 ? -1.833 0.077 0.860 1.00 93.68 27 A 1 ATOM 229 C CA . GLN A 1 27 ? -1.594 0.679 2.179 1.00 93.17 27 A 1 ATOM 230 C C . GLN A 1 27 ? -2.820 0.546 3.090 1.00 93.69 27 A 1 ATOM 231 O O . GLN A 1 27 ? -2.678 0.143 4.249 1.00 93.31 27 A 1 ATOM 232 C CB . GLN A 1 27 ? -1.224 2.157 2.015 1.00 92.16 27 A 1 ATOM 233 C CG . GLN A 1 27 ? 0.227 2.334 1.544 1.00 83.75 27 A 1 ATOM 234 C CD . GLN A 1 27 ? 0.584 3.795 1.268 1.00 79.92 27 A 1 ATOM 235 O OE1 . GLN A 1 27 ? -0.246 4.674 1.142 1.00 74.53 27 A 1 ATOM 236 N NE2 . GLN A 1 27 ? 1.858 4.109 1.164 1.00 71.34 27 A 1 ATOM 237 N N . PHE A 1 28 ? -4.013 0.834 2.567 1.00 93.34 28 A 1 ATOM 238 C CA . PHE A 1 28 ? -5.247 0.698 3.332 1.00 93.97 28 A 1 ATOM 239 C C . PHE A 1 28 ? -5.534 -0.765 3.694 1.00 94.34 28 A 1 ATOM 240 O O . PHE A 1 28 ? -5.798 -1.065 4.858 1.00 94.28 28 A 1 ATOM 241 C CB . PHE A 1 28 ? -6.405 1.325 2.553 1.00 94.15 28 A 1 ATOM 242 C CG . PHE A 1 28 ? -7.702 1.308 3.336 1.00 94.36 28 A 1 ATOM 243 C CD1 . PHE A 1 28 ? -8.784 0.516 2.909 1.00 93.47 28 A 1 ATOM 244 C CD2 . PHE A 1 28 ? -7.823 2.070 4.514 1.00 93.64 28 A 1 ATOM 245 C CE1 . PHE A 1 28 ? -9.979 0.494 3.645 1.00 93.13 28 A 1 ATOM 246 C CE2 . PHE A 1 28 ? -9.013 2.050 5.257 1.00 92.93 28 A 1 ATOM 247 C CZ . PHE A 1 28 ? -10.094 1.264 4.820 1.00 93.54 28 A 1 ATOM 248 N N . ARG A 1 29 ? -5.392 -1.686 2.735 1.00 93.82 29 A 1 ATOM 249 C CA . ARG A 1 29 ? -5.512 -3.130 2.979 1.00 93.90 29 A 1 ATOM 250 C C . ARG A 1 29 ? -4.533 -3.599 4.057 1.00 94.21 29 A 1 ATOM 251 O O . ARG A 1 29 ? -4.940 -4.290 4.986 1.00 93.95 29 A 1 ATOM 252 C CB . ARG A 1 29 ? -5.308 -3.903 1.662 1.00 93.42 29 A 1 ATOM 253 C CG . ARG A 1 29 ? -5.429 -5.423 1.882 1.00 91.96 29 A 1 ATOM 254 C CD . ARG A 1 29 ? -5.304 -6.217 0.577 1.00 89.78 29 A 1 ATOM 255 N NE . ARG A 1 29 ? -5.314 -7.677 0.838 1.00 86.73 29 A 1 ATOM 256 C CZ . ARG A 1 29 ? -4.250 -8.455 1.045 1.00 84.97 29 A 1 ATOM 257 N NH1 . ARG A 1 29 ? -3.034 -8.010 1.029 1.00 78.41 29 A 1 ATOM 258 N NH2 . ARG A 1 29 ? -4.411 -9.729 1.250 1.00 80.46 29 A 1 ATOM 259 N N . ARG A 1 30 ? -3.262 -3.206 3.985 1.00 93.68 30 A 1 ATOM 260 C CA . ARG A 1 30 ? -2.263 -3.550 5.005 1.00 93.53 30 A 1 ATOM 261 C C . ARG A 1 30 ? -2.656 -3.011 6.386 1.00 93.99 30 A 1 ATOM 262 O O . ARG A 1 30 ? -2.528 -3.734 7.370 1.00 93.44 30 A 1 ATOM 263 C CB . ARG A 1 30 ? -0.878 -3.057 4.560 1.00 92.36 30 A 1 ATOM 264 C CG . ARG A 1 30 ? 0.224 -3.487 5.547 1.00 85.92 30 A 1 ATOM 265 C CD . ARG A 1 30 ? 1.629 -3.242 4.974 1.00 83.65 30 A 1 ATOM 266 N NE . ARG A 1 30 ? 1.863 -1.825 4.638 1.00 77.72 30 A 1 ATOM 267 C CZ . ARG A 1 30 ? 2.236 -0.853 5.451 1.00 71.91 30 A 1 ATOM 268 N NH1 . ARG A 1 30 ? 2.475 -1.058 6.715 1.00 63.88 30 A 1 ATOM 269 N NH2 . ARG A 1 30 ? 2.383 0.350 4.980 1.00 62.72 30 A 1 ATOM 270 N N . PHE A 1 31 ? -3.167 -1.774 6.453 1.00 94.04 31 A 1 ATOM 271 C CA . PHE A 1 31 ? -3.653 -1.192 7.704 1.00 94.27 31 A 1 ATOM 272 C C . PHE A 1 31 ? -4.793 -2.023 8.314 1.00 94.61 31 A 1 ATOM 273 O O . PHE A 1 31 ? -4.687 -2.427 9.469 1.00 94.36 31 A 1 ATOM 274 C CB . PHE A 1 31 ? -4.074 0.266 7.473 1.00 94.28 31 A 1 ATOM 275 C CG . PHE A 1 31 ? -4.865 0.840 8.631 1.00 94.12 31 A 1 ATOM 276 C CD1 . PHE A 1 31 ? -6.257 1.028 8.514 1.00 92.71 31 A 1 ATOM 277 C CD2 . PHE A 1 31 ? -4.232 1.104 9.861 1.00 92.86 31 A 1 ATOM 278 C CE1 . PHE A 1 31 ? -7.008 1.474 9.610 1.00 92.18 31 A 1 ATOM 279 C CE2 . PHE A 1 31 ? -4.983 1.548 10.962 1.00 91.76 31 A 1 ATOM 280 C CZ . PHE A 1 31 ? -6.371 1.731 10.836 1.00 91.98 31 A 1 ATOM 281 N N . ILE A 1 32 ? -5.839 -2.351 7.553 1.00 95.25 32 A 1 ATOM 282 C CA . ILE A 1 32 ? -6.970 -3.117 8.098 1.00 95.25 32 A 1 ATOM 283 C C . ILE A 1 32 ? -6.564 -4.536 8.526 1.00 95.55 32 A 1 ATOM 284 O O . ILE A 1 32 ? -7.032 -5.008 9.555 1.00 94.95 32 A 1 ATOM 285 C CB . ILE A 1 32 ? -8.194 -3.125 7.148 1.00 94.25 32 A 1 ATOM 286 C CG1 . ILE A 1 32 ? -7.891 -3.814 5.805 1.00 86.99 32 A 1 ATOM 287 C CG2 . ILE A 1 32 ? -8.712 -1.690 6.959 1.00 83.35 32 A 1 ATOM 288 C CD1 . ILE A 1 32 ? -9.077 -3.929 4.852 1.00 78.12 32 A 1 ATOM 289 N N . LEU A 1 33 ? -5.642 -5.181 7.800 1.00 95.07 33 A 1 ATOM 290 C CA . LEU A 1 33 ? -5.104 -6.486 8.191 1.00 94.74 33 A 1 ATOM 291 C C . LEU A 1 33 ? -4.274 -6.391 9.478 1.00 94.42 33 A 1 ATOM 292 O O . LEU A 1 33 ? -4.436 -7.224 10.366 1.00 93.32 33 A 1 ATOM 293 C CB . LEU A 1 33 ? -4.273 -7.074 7.040 1.00 94.41 33 A 1 ATOM 294 C CG . LEU A 1 33 ? -5.093 -7.508 5.810 1.00 93.64 33 A 1 ATOM 295 C CD1 . LEU A 1 33 ? -4.148 -7.923 4.690 1.00 91.84 33 A 1 ATOM 296 C CD2 . LEU A 1 33 ? -6.026 -8.681 6.106 1.00 91.39 33 A 1 ATOM 297 N N . SER A 1 34 ? -3.445 -5.346 9.637 1.00 94.46 34 A 1 ATOM 298 C CA . SER A 1 34 ? -2.687 -5.120 10.878 1.00 93.87 34 A 1 ATOM 299 C C . SER A 1 34 ? -3.589 -4.833 12.083 1.00 93.84 34 A 1 ATOM 300 O O . SER A 1 34 ? -3.252 -5.182 13.210 1.00 92.40 34 A 1 ATOM 301 C CB . SER A 1 34 ? -1.660 -3.995 10.696 1.00 92.82 34 A 1 ATOM 302 O OG . SER A 1 34 ? -2.244 -2.713 10.636 1.00 83.89 34 A 1 ATOM 303 N N . GLU A 1 35 ? -4.774 -4.262 11.847 1.00 94.59 35 A 1 ATOM 304 C CA . GLU A 1 35 ? -5.807 -4.069 12.864 1.00 94.57 35 A 1 ATOM 305 C C . GLU A 1 35 ? -6.594 -5.356 13.178 1.00 94.63 35 A 1 ATOM 306 O O . GLU A 1 35 ? -7.490 -5.329 14.022 1.00 92.90 35 A 1 ATOM 307 C CB . GLU A 1 35 ? -6.738 -2.925 12.437 1.00 94.31 35 A 1 ATOM 308 C CG . GLU A 1 35 ? -6.075 -1.540 12.537 1.00 91.91 35 A 1 ATOM 309 C CD . GLU A 1 35 ? -5.903 -1.051 13.981 1.00 92.56 35 A 1 ATOM 310 O OE1 . GLU A 1 35 ? -5.233 -0.024 14.194 1.00 87.26 35 A 1 ATOM 311 O OE2 . GLU A 1 35 ? -6.530 -1.609 14.917 1.00 88.41 35 A 1 ATOM 312 N N . GLY A 1 36 ? -6.268 -6.482 12.525 1.00 94.39 36 A 1 ATOM 313 C CA . GLY A 1 36 ? -6.896 -7.784 12.769 1.00 94.18 36 A 1 ATOM 314 C C . GLY A 1 36 ? -8.225 -7.997 12.036 1.00 94.99 36 A 1 ATOM 315 O O . GLY A 1 36 ? -9.057 -8.773 12.504 1.00 93.86 36 A 1 ATOM 316 N N . PHE A 1 37 ? -8.455 -7.285 10.928 1.00 95.11 37 A 1 ATOM 317 C CA . PHE A 1 37 ? -9.520 -7.647 9.999 1.00 95.74 37 A 1 ATOM 318 C C . PHE A 1 37 ? -9.123 -8.889 9.199 1.00 95.62 37 A 1 ATOM 319 O O . PHE A 1 37 ? -7.974 -9.047 8.795 1.00 94.60 37 A 1 ATOM 320 C CB . PHE A 1 37 ? -9.865 -6.494 9.054 1.00 95.85 37 A 1 ATOM 321 C CG . PHE A 1 37 ? -10.731 -5.417 9.667 1.00 96.04 37 A 1 ATOM 322 C CD1 . PHE A 1 37 ? -12.114 -5.396 9.409 1.00 94.40 37 A 1 ATOM 323 C CD2 . PHE A 1 37 ? -10.168 -4.423 10.484 1.00 94.53 37 A 1 ATOM 324 C CE1 . PHE A 1 37 ? -12.927 -4.394 9.958 1.00 94.03 37 A 1 ATOM 325 C CE2 . PHE A 1 37 ? -10.980 -3.422 11.043 1.00 93.91 37 A 1 ATOM 326 C CZ . PHE A 1 37 ? -12.360 -3.407 10.778 1.00 94.96 37 A 1 ATOM 327 N N . ILE A 1 38 ? -10.100 -9.745 8.927 1.00 94.68 38 A 1 ATOM 328 C CA . ILE A 1 38 ? -9.964 -10.956 8.125 1.00 94.21 38 A 1 ATOM 329 C C . ILE A 1 38 ? -10.660 -10.714 6.789 1.00 94.49 38 A 1 ATOM 330 O O . ILE A 1 38 ? -11.769 -10.189 6.755 1.00 93.55 38 A 1 ATOM 331 C CB . ILE A 1 38 ? -10.537 -12.171 8.873 1.00 92.41 38 A 1 ATOM 332 C CG1 . ILE A 1 38 ? -9.809 -12.344 10.228 1.00 82.16 38 A 1 ATOM 333 C CG2 . ILE A 1 38 ? -10.407 -13.450 8.027 1.00 79.58 38 A 1 ATOM 334 C CD1 . ILE A 1 38 ? -10.485 -13.367 11.129 1.00 74.77 38 A 1 ATOM 335 N N . MET A 1 39 ? -10.004 -11.091 5.697 1.00 93.26 39 A 1 ATOM 336 C CA . MET A 1 39 ? -10.593 -11.021 4.364 1.00 92.40 39 A 1 ATOM 337 C C . MET A 1 39 ? -11.699 -12.064 4.240 1.00 91.73 39 A 1 ATOM 338 O O . MET A 1 39 ? -11.460 -13.260 4.407 1.00 90.44 39 A 1 ATOM 339 C CB . MET A 1 39 ? -9.500 -11.216 3.311 1.00 90.70 39 A 1 ATOM 340 C CG . MET A 1 39 ? -10.003 -10.914 1.898 1.00 86.54 39 A 1 ATOM 341 S SD . MET A 1 39 ? -8.702 -11.007 0.639 1.00 82.55 39 A 1 ATOM 342 C CE . MET A 1 39 ? -8.526 -12.797 0.505 1.00 74.46 39 A 1 ATOM 343 N N . HIS A 1 40 ? -12.905 -11.595 3.949 1.00 89.91 40 A 1 ATOM 344 C CA . HIS A 1 40 ? -14.066 -12.436 3.686 1.00 88.25 40 A 1 ATOM 345 C C . HIS A 1 40 ? -14.270 -12.624 2.176 1.00 87.97 40 A 1 ATOM 346 O O . HIS A 1 40 ? -14.495 -13.733 1.696 1.00 84.38 40 A 1 ATOM 347 C CB . HIS A 1 40 ? -15.275 -11.787 4.365 1.00 86.64 40 A 1 ATOM 348 C CG . HIS A 1 40 ? -16.469 -12.686 4.377 1.00 85.54 40 A 1 ATOM 349 N ND1 . HIS A 1 40 ? -16.565 -13.876 5.079 1.00 75.40 40 A 1 ATOM 350 C CD2 . HIS A 1 40 ? -17.651 -12.499 3.712 1.00 75.30 40 A 1 ATOM 351 C CE1 . HIS A 1 40 ? -17.777 -14.394 4.824 1.00 76.71 40 A 1 ATOM 352 N NE2 . HIS A 1 40 ? -18.466 -13.577 4.009 1.00 77.59 40 A 1 ATOM 353 N N . GLN A 1 41 ? -14.109 -11.519 1.435 1.00 86.82 41 A 1 ATOM 354 C CA . GLN A 1 41 ? -14.005 -11.446 -0.023 1.00 87.97 41 A 1 ATOM 355 C C . GLN A 1 41 ? -12.968 -10.369 -0.365 1.00 89.14 41 A 1 ATOM 356 O O . GLN A 1 41 ? -12.553 -9.629 0.522 1.00 87.69 41 A 1 ATOM 357 C CB . GLN A 1 41 ? -15.375 -11.092 -0.626 1.00 84.44 41 A 1 ATOM 358 C CG . GLN A 1 41 ? -16.441 -12.168 -0.375 1.00 77.70 41 A 1 ATOM 359 C CD . GLN A 1 41 ? -17.807 -11.799 -0.951 1.00 76.54 41 A 1 ATOM 360 O OE1 . GLN A 1 41 ? -18.104 -10.659 -1.239 1.00 68.91 41 A 1 ATOM 361 N NE2 . GLN A 1 41 ? -18.688 -12.753 -1.116 1.00 65.21 41 A 1 ATOM 362 N N . TYR A 1 42 ? -12.565 -10.223 -1.627 1.00 87.55 42 A 1 ATOM 363 C CA . TYR A 1 42 ? -11.519 -9.252 -2.004 1.00 86.70 42 A 1 ATOM 364 C C . TYR A 1 42 ? -11.788 -7.806 -1.552 1.00 87.10 42 A 1 ATOM 365 O O . TYR A 1 42 ? -10.859 -7.093 -1.169 1.00 83.55 42 A 1 ATOM 366 C CB . TYR A 1 42 ? -11.300 -9.295 -3.519 1.00 85.33 42 A 1 ATOM 367 C CG . TYR A 1 42 ? -10.653 -10.573 -4.010 1.00 83.60 42 A 1 ATOM 368 C CD1 . TYR A 1 42 ? -9.373 -10.934 -3.551 1.00 77.12 42 A 1 ATOM 369 C CD2 . TYR A 1 42 ? -11.327 -11.412 -4.922 1.00 75.92 42 A 1 ATOM 370 C CE1 . TYR A 1 42 ? -8.770 -12.126 -3.981 1.00 72.96 42 A 1 ATOM 371 C CE2 . TYR A 1 42 ? -10.730 -12.607 -5.359 1.00 72.04 42 A 1 ATOM 372 C CZ . TYR A 1 42 ? -9.453 -12.961 -4.880 1.00 74.27 42 A 1 ATOM 373 O OH . TYR A 1 42 ? -8.877 -14.139 -5.290 1.00 72.57 42 A 1 ATOM 374 N N . SER A 1 43 ? -13.045 -7.382 -1.555 1.00 88.20 43 A 1 ATOM 375 C CA . SER A 1 43 ? -13.489 -6.047 -1.142 1.00 88.94 43 A 1 ATOM 376 C C . SER A 1 43 ? -14.201 -6.017 0.213 1.00 90.49 43 A 1 ATOM 377 O O . SER A 1 43 ? -14.635 -4.951 0.645 1.00 87.86 43 A 1 ATOM 378 C CB . SER A 1 43 ? -14.384 -5.466 -2.238 1.00 85.14 43 A 1 ATOM 379 O OG . SER A 1 43 ? -15.487 -6.320 -2.466 1.00 75.27 43 A 1 ATOM 380 N N . VAL A 1 44 ? -14.341 -7.154 0.897 1.00 91.49 44 A 1 ATOM 381 C CA . VAL A 1 44 ? -15.104 -7.282 2.147 1.00 92.02 44 A 1 ATOM 382 C C . VAL A 1 44 ? -14.245 -7.923 3.227 1.00 92.96 44 A 1 ATOM 383 O O . VAL A 1 44 ? -13.781 -9.053 3.103 1.00 92.34 44 A 1 ATOM 384 C CB . VAL A 1 44 ? -16.417 -8.062 1.958 1.00 90.03 44 A 1 ATOM 385 C CG1 . VAL A 1 44 ? -17.246 -8.069 3.248 1.00 85.19 44 A 1 ATOM 386 C CG2 . VAL A 1 44 ? -17.290 -7.470 0.844 1.00 85.56 44 A 1 ATOM 387 N N . TYR A 1 45 ? -14.089 -7.202 4.334 1.00 94.99 45 A 1 ATOM 388 C CA . TYR A 1 45 ? -13.318 -7.636 5.488 1.00 95.54 45 A 1 ATOM 389 C C . TYR A 1 45 ? -14.188 -7.604 6.738 1.00 95.62 45 A 1 ATOM 390 O O . TYR A 1 45 ? -15.083 -6.769 6.869 1.00 94.83 45 A 1 ATOM 391 C CB . TYR A 1 45 ? -12.071 -6.761 5.643 1.00 95.34 45 A 1 ATOM 392 C CG . TYR A 1 45 ? -11.048 -6.933 4.538 1.00 95.12 45 A 1 ATOM 393 C CD1 . TYR A 1 45 ? -9.853 -7.637 4.778 1.00 91.71 45 A 1 ATOM 394 C CD2 . TYR A 1 45 ? -11.294 -6.413 3.249 1.00 91.60 45 A 1 ATOM 395 C CE1 . TYR A 1 45 ? -8.916 -7.824 3.754 1.00 90.01 45 A 1 ATOM 396 C CE2 . TYR A 1 45 ? -10.367 -6.604 2.212 1.00 90.05 45 A 1 ATOM 397 C CZ . TYR A 1 45 ? -9.179 -7.312 2.470 1.00 92.10 45 A 1 ATOM 398 O OH . TYR A 1 45 ? -8.274 -7.514 1.459 1.00 90.47 45 A 1 ATOM 399 N N . SER A 1 46 ? -13.910 -8.494 7.686 1.00 95.12 46 A 1 ATOM 400 C CA . SER A 1 46 ? -14.611 -8.525 8.967 1.00 94.89 46 A 1 ATOM 401 C C . SER A 1 46 ? -13.651 -8.547 10.147 1.00 95.07 46 A 1 ATOM 402 O O . SER A 1 46 ? -12.529 -9.041 10.058 1.00 94.58 46 A 1 ATOM 403 C CB . SER A 1 46 ? -15.613 -9.685 9.023 1.00 93.41 46 A 1 ATOM 404 O OG . SER A 1 46 ? -14.970 -10.938 9.112 1.00 89.21 46 A 1 ATOM 405 N N . LYS A 1 47 ? -14.103 -8.007 11.283 1.00 95.39 47 A 1 ATOM 406 C CA . LYS A 1 47 ? -13.382 -8.081 12.551 1.00 95.42 47 A 1 ATOM 407 C C . LYS A 1 47 ? -14.349 -8.308 13.703 1.00 95.04 47 A 1 ATOM 408 O O . LYS A 1 47 ? -15.331 -7.581 13.834 1.00 93.97 47 A 1 ATOM 409 C CB . LYS A 1 47 ? -12.549 -6.804 12.735 1.00 94.98 47 A 1 ATOM 410 C CG . LYS A 1 47 ? -11.812 -6.809 14.075 1.00 93.92 47 A 1 ATOM 411 C CD . LYS A 1 47 ? -10.823 -5.660 14.203 1.00 91.41 47 A 1 ATOM 412 C CE . LYS A 1 47 ? -10.100 -5.828 15.539 1.00 87.54 47 A 1 ATOM 413 N NZ . LYS A 1 47 ? -8.831 -5.078 15.592 1.00 81.12 47 A 1 ATOM 414 N N . ILE A 1 48 ? -14.022 -9.272 14.566 1.00 93.79 48 A 1 ATOM 415 C CA . ILE A 1 48 ? -14.719 -9.465 15.839 1.00 93.21 48 A 1 ATOM 416 C C . ILE A 1 48 ? -14.211 -8.435 16.850 1.00 93.20 48 A 1 ATOM 417 O O . ILE A 1 48 ? -13.010 -8.215 17.004 1.00 91.83 48 A 1 ATOM 418 C CB . ILE A 1 48 ? -14.585 -10.913 16.351 1.00 91.23 48 A 1 ATOM 419 C CG1 . ILE A 1 48 ? -15.210 -11.892 15.329 1.00 83.42 48 A 1 ATOM 420 C CG2 . ILE A 1 48 ? -15.270 -11.067 17.723 1.00 82.38 48 A 1 ATOM 421 C CD1 . ILE A 1 48 ? -14.974 -13.370 15.667 1.00 76.91 48 A 1 ATOM 422 N N . LEU A 1 49 ? -15.144 -7.785 17.557 1.00 93.08 49 A 1 ATOM 423 C CA . LEU A 1 49 ? -14.870 -6.805 18.598 1.00 92.60 49 A 1 ATOM 424 C C . LEU A 1 49 ? -15.569 -7.234 19.888 1.00 91.72 49 A 1 ATOM 425 O O . LEU A 1 49 ? -16.755 -7.543 19.888 1.00 89.50 49 A 1 ATOM 426 C CB . LEU A 1 49 ? -15.329 -5.421 18.130 1.00 92.08 49 A 1 ATOM 427 C CG . LEU A 1 49 ? -14.546 -4.892 16.916 1.00 90.85 49 A 1 ATOM 428 C CD1 . LEU A 1 49 ? -15.270 -3.707 16.304 1.00 87.06 49 A 1 ATOM 429 C CD2 . LEU A 1 49 ? -13.140 -4.432 17.311 1.00 86.65 49 A 1 ATOM 430 N N . LEU A 1 50 ? -14.829 -7.195 20.992 1.00 90.87 50 A 1 ATOM 431 C CA . LEU A 1 50 ? -15.294 -7.696 22.292 1.00 89.57 50 A 1 ATOM 432 C C . LEU A 1 50 ? -16.469 -6.900 22.878 1.00 88.68 50 A 1 ATOM 433 O O . LEU A 1 50 ? -17.269 -7.440 23.637 1.00 84.35 50 A 1 ATOM 434 C CB . LEU A 1 50 ? -14.111 -7.678 23.273 1.00 87.32 50 A 1 ATOM 435 C CG . LEU A 1 50 ? -12.934 -8.596 22.891 1.00 82.07 50 A 1 ATOM 436 C CD1 . LEU A 1 50 ? -11.781 -8.357 23.855 1.00 75.92 50 A 1 ATOM 437 C CD2 . LEU A 1 50 ? -13.320 -10.070 22.939 1.00 74.68 50 A 1 ATOM 438 N N . ASN A 1 51 ? -16.562 -5.597 22.577 1.00 87.34 51 A 1 ATOM 439 C CA . ASN A 1 51 ? -17.593 -4.715 23.122 1.00 87.21 51 A 1 ATOM 440 C C . ASN A 1 51 ? -17.751 -3.422 22.299 1.00 87.81 51 A 1 ATOM 441 O O . ASN A 1 51 ? -16.979 -3.122 21.382 1.00 86.46 51 A 1 ATOM 442 C CB . ASN A 1 51 ? -17.262 -4.435 24.608 1.00 84.96 51 A 1 ATOM 443 C CG . ASN A 1 51 ? -15.908 -3.785 24.804 1.00 84.48 51 A 1 ATOM 444 O OD1 . ASN A 1 51 ? -15.566 -2.815 24.160 1.00 78.60 51 A 1 ATOM 445 N ND2 . ASN A 1 51 ? -15.098 -4.303 25.703 1.00 78.89 51 A 1 ATOM 446 N N . GLY A 1 52 ? -18.747 -2.617 22.658 1.00 86.34 52 A 1 ATOM 447 C CA . GLY A 1 52 ? -19.032 -1.341 21.996 1.00 86.56 52 A 1 ATOM 448 C C . GLY A 1 52 ? -17.925 -0.289 22.134 1.00 88.57 52 A 1 ATOM 449 O O . GLY A 1 52 ? -17.736 0.524 21.227 1.00 87.62 52 A 1 ATOM 450 N N . THR A 1 53 ? -17.144 -0.312 23.223 1.00 88.81 53 A 1 ATOM 451 C CA . THR A 1 53 ? -15.986 0.583 23.405 1.00 90.06 53 A 1 ATOM 452 C C . THR A 1 53 ? -14.885 0.264 22.397 1.00 91.19 53 A 1 ATOM 453 O O . THR A 1 53 ? -14.392 1.168 21.719 1.00 90.81 53 A 1 ATOM 454 C CB . THR A 1 53 ? -15.433 0.483 24.832 1.00 88.89 53 A 1 ATOM 455 O OG1 . THR A 1 53 ? -16.481 0.687 25.752 1.00 82.04 53 A 1 ATOM 456 C CG2 . THR A 1 53 ? -14.366 1.536 25.119 1.00 79.81 53 A 1 ATOM 457 N N . ALA A 1 54 ? -14.555 -1.019 22.216 1.00 90.87 54 A 1 ATOM 458 C CA . ALA A 1 54 ? -13.611 -1.469 21.197 1.00 91.25 54 A 1 ATOM 459 C C . ALA A 1 54 ? -14.095 -1.118 19.775 1.00 92.22 54 A 1 ATOM 460 O O . ALA A 1 54 ? -13.295 -0.690 18.943 1.00 91.78 54 A 1 ATOM 461 C CB . ALA A 1 54 ? -13.391 -2.976 21.368 1.00 90.35 54 A 1 ATOM 462 N N . SER A 1 55 ? -15.405 -1.199 19.518 1.00 91.63 55 A 1 ATOM 463 C CA . SER A 1 55 ? -16.010 -0.790 18.243 1.00 91.42 55 A 1 ATOM 464 C C . SER A 1 55 ? -15.834 0.710 17.974 1.00 92.38 55 A 1 ATOM 465 O O . SER A 1 55 ? -15.377 1.096 16.897 1.00 92.03 55 A 1 ATOM 466 C CB . SER A 1 55 ? -17.489 -1.187 18.209 1.00 89.85 55 A 1 ATOM 467 O OG . SER A 1 55 ? -18.068 -0.842 16.969 1.00 78.27 55 A 1 ATOM 468 N N . LYS A 1 56 ? -16.102 1.570 18.966 1.00 91.33 56 A 1 ATOM 469 C CA . LYS A 1 56 ? -15.893 3.025 18.844 1.00 91.61 56 A 1 ATOM 470 C C . LYS A 1 56 ? -14.417 3.374 18.616 1.00 92.65 56 A 1 ATOM 471 O O . LYS A 1 56 ? -14.116 4.205 17.757 1.00 92.24 56 A 1 ATOM 472 C CB . LYS A 1 56 ? -16.419 3.749 20.089 1.00 90.51 56 A 1 ATOM 473 C CG . LYS A 1 56 ? -17.954 3.785 20.150 1.00 82.08 56 A 1 ATOM 474 C CD . LYS A 1 56 ? -18.412 4.502 21.426 1.00 77.52 56 A 1 ATOM 475 C CE . LYS A 1 56 ? -19.938 4.541 21.517 1.00 66.47 56 A 1 ATOM 476 N NZ . LYS A 1 56 ? -20.411 5.280 22.717 1.00 58.64 56 A 1 ATOM 477 N N . ALA A 1 57 ? -13.503 2.725 19.336 1.00 94.01 57 A 1 ATOM 478 C CA . ALA A 1 57 ? -12.065 2.933 19.168 1.00 94.54 57 A 1 ATOM 479 C C . ALA A 1 57 ? -11.585 2.511 17.766 1.00 95.09 57 A 1 ATOM 480 O O . ALA A 1 57 ? -10.840 3.249 17.117 1.00 94.53 57 A 1 ATOM 481 C CB . ALA A 1 57 ? -11.326 2.169 20.272 1.00 94.19 57 A 1 ATOM 482 N N . MET A 1 58 ? -12.065 1.372 17.256 1.00 95.00 58 A 1 ATOM 483 C CA . MET A 1 58 ? -11.763 0.934 15.891 1.00 95.23 58 A 1 ATOM 484 C C . MET A 1 58 ? -12.307 1.911 14.845 1.00 95.24 58 A 1 ATOM 485 O O . MET A 1 58 ? -11.584 2.288 13.925 1.00 95.12 58 A 1 ATOM 486 C CB . MET A 1 58 ? -12.311 -0.483 15.659 1.00 95.37 58 A 1 ATOM 487 C CG . MET A 1 58 ? -11.977 -0.998 14.249 1.00 94.25 58 A 1 ATOM 488 S SD . MET A 1 58 ? -10.213 -0.902 13.803 1.00 92.73 58 A 1 ATOM 489 C CE . MET A 1 58 ? -9.535 -2.102 14.950 1.00 87.51 58 A 1 ATOM 490 N N . LEU A 1 59 ? -13.544 2.388 15.010 1.00 94.22 59 A 1 ATOM 491 C CA . LEU A 1 59 ? -14.134 3.387 14.120 1.00 93.78 59 A 1 ATOM 492 C C . LEU A 1 59 ? -13.298 4.674 14.074 1.00 93.87 59 A 1 ATOM 493 O O . LEU A 1 59 ? -13.104 5.238 12.997 1.00 93.13 59 A 1 ATOM 494 C CB . LEU A 1 59 ? -15.577 3.661 14.580 1.00 92.76 59 A 1 ATOM 495 C CG . LEU A 1 59 ? -16.319 4.715 13.735 1.00 86.30 59 A 1 ATOM 496 C CD1 . LEU A 1 59 ? -16.477 4.287 12.281 1.00 81.66 59 A 1 ATOM 497 C CD2 . LEU A 1 59 ? -17.706 4.960 14.320 1.00 81.42 59 A 1 ATOM 498 N N . ALA A 1 60 ? -12.780 5.137 15.215 1.00 94.74 60 A 1 ATOM 499 C CA . ALA A 1 60 ? -11.913 6.312 15.272 1.00 94.91 60 A 1 ATOM 500 C C . ALA A 1 60 ? -10.606 6.094 14.484 1.00 94.97 60 A 1 ATOM 501 O O . ALA A 1 60 ? -10.252 6.939 13.655 1.00 94.35 60 A 1 ATOM 502 C CB . ALA A 1 60 ? -11.651 6.672 16.738 1.00 94.85 60 A 1 ATOM 503 N N . ARG A 1 61 ? -9.942 4.943 14.649 1.00 95.21 61 A 1 ATOM 504 C CA . ARG A 1 61 ? -8.720 4.601 13.891 1.00 94.90 61 A 1 ATOM 505 C C . ARG A 1 61 ? -8.977 4.484 12.386 1.00 94.71 61 A 1 ATOM 506 O O . ARG A 1 61 ? -8.211 5.029 11.594 1.00 93.79 61 A 1 ATOM 507 C CB . ARG A 1 61 ? -8.086 3.312 14.431 1.00 94.50 61 A 1 ATOM 508 C CG . ARG A 1 61 ? -7.514 3.508 15.845 1.00 90.87 61 A 1 ATOM 509 C CD . ARG A 1 61 ? -6.543 2.382 16.237 1.00 89.53 61 A 1 ATOM 510 N NE . ARG A 1 61 ? -7.159 1.043 16.264 1.00 84.36 61 A 1 ATOM 511 C CZ . ARG A 1 61 ? -7.831 0.486 17.258 1.00 83.23 61 A 1 ATOM 512 N NH1 . ARG A 1 61 ? -8.129 1.130 18.355 1.00 72.27 61 A 1 ATOM 513 N NH2 . ARG A 1 61 ? -8.182 -0.762 17.158 1.00 74.43 61 A 1 ATOM 514 N N . LEU A 1 62 ? -10.087 3.861 11.984 1.00 94.46 62 A 1 ATOM 515 C CA . LEU A 1 62 ? -10.481 3.768 10.573 1.00 93.82 62 A 1 ATOM 516 C C . LEU A 1 62 ? -10.754 5.148 9.958 1.00 93.34 62 A 1 ATOM 517 O O . LEU A 1 62 ? -10.340 5.403 8.831 1.00 92.02 62 A 1 ATOM 518 C CB . LEU A 1 62 ? -11.726 2.878 10.438 1.00 93.69 62 A 1 ATOM 519 C CG . LEU A 1 62 ? -11.449 1.373 10.601 1.00 92.61 62 A 1 ATOM 520 C CD1 . LEU A 1 62 ? -12.777 0.634 10.735 1.00 90.45 62 A 1 ATOM 521 C CD2 . LEU A 1 62 ? -10.706 0.793 9.396 1.00 90.34 62 A 1 ATOM 522 N N . LYS A 1 63 ? -11.390 6.068 10.694 1.00 93.35 63 A 1 ATOM 523 C CA . LYS A 1 63 ? -11.599 7.452 10.238 1.00 92.36 63 A 1 ATOM 524 C C . LYS A 1 63 ? -10.280 8.207 10.068 1.00 91.90 63 A 1 ATOM 525 O O . LYS A 1 63 ? -10.140 8.971 9.116 1.00 90.44 63 A 1 ATOM 526 C CB . LYS A 1 63 ? -12.515 8.204 11.211 1.00 91.97 63 A 1 ATOM 527 C CG . LYS A 1 63 ? -13.988 7.808 11.042 1.00 87.55 63 A 1 ATOM 528 C CD . LYS A 1 63 ? -14.857 8.555 12.061 1.00 84.78 63 A 1 ATOM 529 C CE . LYS A 1 63 ? -16.331 8.217 11.839 1.00 77.64 63 A 1 ATOM 530 N NZ . LYS A 1 63 ? -17.232 9.006 12.720 1.00 69.68 63 A 1 ATOM 531 N N . GLN A 1 64 ? -9.319 7.997 10.961 1.00 93.28 64 A 1 ATOM 532 C CA . GLN A 1 64 ? -8.004 8.640 10.896 1.00 92.76 64 A 1 ATOM 533 C C . GLN A 1 64 ? -7.176 8.133 9.709 1.00 92.48 64 A 1 ATOM 534 O O . GLN A 1 64 ? -6.510 8.929 9.042 1.00 90.08 64 A 1 ATOM 535 C CB . GLN A 1 64 ? -7.282 8.401 12.227 1.00 91.74 64 A 1 ATOM 536 C CG . GLN A 1 64 ? -5.976 9.212 12.331 1.00 81.24 64 A 1 ATOM 537 C CD . GLN A 1 64 ? -5.256 8.982 13.663 1.00 75.96 64 A 1 ATOM 538 O OE1 . GLN A 1 64 ? -5.602 8.120 14.456 1.00 68.32 64 A 1 ATOM 539 N NE2 . GLN A 1 64 ? -4.224 9.744 13.947 1.00 64.80 64 A 1 ATOM 540 N N . GLN A 1 65 ? -7.240 6.833 9.423 1.00 91.70 65 A 1 ATOM 541 C CA . GLN A 1 65 ? -6.510 6.183 8.330 1.00 90.75 65 A 1 ATOM 542 C C . GLN A 1 65 ? -7.300 6.123 7.014 1.00 90.84 65 A 1 ATOM 543 O O . GLN A 1 65 ? -6.858 5.499 6.052 1.00 87.00 65 A 1 ATOM 544 C CB . GLN A 1 65 ? -6.069 4.783 8.789 1.00 89.35 65 A 1 ATOM 545 C CG . GLN A 1 65 ? -5.060 4.829 9.947 1.00 84.10 65 A 1 ATOM 546 C CD . GLN A 1 65 ? -3.705 5.418 9.558 1.00 82.11 65 A 1 ATOM 547 O OE1 . GLN A 1 65 ? -3.331 5.522 8.404 1.00 74.69 65 A 1 ATOM 548 N NE2 . GLN A 1 65 ? -2.906 5.812 10.524 1.00 70.94 65 A 1 ATOM 549 N N . ASN A 1 66 ? -8.465 6.767 6.951 1.00 89.79 66 A 1 ATOM 550 C CA . ASN A 1 66 ? -9.282 6.803 5.744 1.00 89.43 66 A 1 ATOM 551 C C . ASN A 1 66 ? -8.497 7.454 4.585 1.00 89.66 66 A 1 ATOM 552 O O . ASN A 1 66 ? -8.172 8.644 4.672 1.00 86.86 66 A 1 ATOM 553 C CB . ASN A 1 66 ? -10.593 7.549 6.056 1.00 86.73 66 A 1 ATOM 554 C CG . ASN A 1 66 ? -11.539 7.627 4.863 1.00 85.83 66 A 1 ATOM 555 O OD1 . ASN A 1 66 ? -11.273 7.192 3.764 1.00 78.22 66 A 1 ATOM 556 N ND2 . ASN A 1 66 ? -12.698 8.220 5.050 1.00 78.91 66 A 1 ATOM 557 N N . PRO A 1 67 ? -8.256 6.722 3.470 1.00 90.60 67 A 1 ATOM 558 C CA . PRO A 1 67 ? -7.544 7.264 2.316 1.00 88.72 67 A 1 ATOM 559 C C . PRO A 1 67 ? -8.316 8.372 1.583 1.00 88.34 67 A 1 ATOM 560 O O . PRO A 1 67 ? -7.767 8.990 0.675 1.00 83.12 67 A 1 ATOM 561 C CB . PRO A 1 67 ? -7.278 6.049 1.416 1.00 87.08 67 A 1 ATOM 562 C CG . PRO A 1 67 ? -8.414 5.091 1.752 1.00 85.68 67 A 1 ATOM 563 C CD . PRO A 1 67 ? -8.637 5.339 3.242 1.00 88.42 67 A 1 ATOM 564 N N . LYS A 1 68 ? -9.569 8.652 1.969 1.00 87.61 68 A 1 ATOM 565 C CA . LYS A 1 68 ? -10.464 9.665 1.372 1.00 87.17 68 A 1 ATOM 566 C C . LYS A 1 68 ? -10.634 9.486 -0.149 1.00 88.15 68 A 1 ATOM 567 O O . LYS A 1 68 ? -10.741 10.464 -0.890 1.00 83.08 68 A 1 ATOM 568 C CB . LYS A 1 68 ? -10.026 11.087 1.760 1.00 84.71 68 A 1 ATOM 569 C CG . LYS A 1 68 ? -9.961 11.317 3.278 1.00 80.70 68 A 1 ATOM 570 C CD . LYS A 1 68 ? -9.552 12.766 3.564 1.00 73.13 68 A 1 ATOM 571 C CE . LYS A 1 68 ? -9.492 13.005 5.075 1.00 66.70 68 A 1 ATOM 572 N NZ . LYS A 1 68 ? -9.109 14.400 5.402 1.00 57.22 68 A 1 ATOM 573 N N . LYS A 1 69 ? -10.626 8.231 -0.599 1.00 86.86 69 A 1 ATOM 574 C CA . LYS A 1 69 ? -10.785 7.845 -1.997 1.00 85.96 69 A 1 ATOM 575 C C . LYS A 1 69 ? -11.741 6.663 -2.108 1.00 86.90 69 A 1 ATOM 576 O O . LYS A 1 69 ? -11.730 5.792 -1.244 1.00 79.03 69 A 1 ATOM 577 C CB . LYS A 1 69 ? -9.436 7.458 -2.611 1.00 81.87 69 A 1 ATOM 578 C CG . LYS A 1 69 ? -8.495 8.652 -2.805 1.00 76.91 69 A 1 ATOM 579 C CD . LYS A 1 69 ? -7.284 8.197 -3.613 1.00 71.56 69 A 1 ATOM 580 C CE . LYS A 1 69 ? -6.403 9.382 -3.998 1.00 65.31 69 A 1 ATOM 581 N NZ . LYS A 1 69 ? -5.522 9.003 -5.125 1.00 56.41 69 A 1 ATOM 582 N N . GLY A 1 70 ? -12.509 6.639 -3.198 1.00 88.88 70 A 1 ATOM 583 C CA . GLY A 1 70 ? -13.485 5.591 -3.445 1.00 89.35 70 A 1 ATOM 584 C C . GLY A 1 70 ? -14.637 5.587 -2.436 1.00 91.28 70 A 1 ATOM 585 O O . GLY A 1 70 ? -14.844 6.548 -1.685 1.00 87.65 70 A 1 ATOM 586 N N . LEU A 1 71 ? -15.373 4.480 -2.422 1.00 91.14 71 A 1 ATOM 587 C CA . LEU A 1 71 ? -16.472 4.229 -1.502 1.00 91.96 71 A 1 ATOM 588 C C . LEU A 1 71 ? -16.000 3.265 -0.411 1.00 92.42 71 A 1 ATOM 589 O O . LEU A 1 71 ? -15.651 2.123 -0.694 1.00 90.18 71 A 1 ATOM 590 C CB . LEU A 1 71 ? -17.663 3.687 -2.305 1.00 89.81 71 A 1 ATOM 591 C CG . LEU A 1 71 ? -18.904 3.384 -1.446 1.00 84.29 71 A 1 ATOM 592 C CD1 . LEU A 1 71 ? -19.470 4.642 -0.785 1.00 79.28 71 A 1 ATOM 593 C CD2 . LEU A 1 71 ? -19.995 2.770 -2.321 1.00 80.02 71 A 1 ATOM 594 N N . ILE A 1 72 ? -16.005 3.725 0.837 1.00 92.66 72 A 1 ATOM 595 C CA . ILE A 1 72 ? -15.653 2.898 1.995 1.00 92.84 72 A 1 ATOM 596 C C . ILE A 1 72 ? -16.834 2.894 2.956 1.00 93.13 72 A 1 ATOM 597 O O . ILE A 1 72 ? -17.174 3.926 3.539 1.00 92.04 72 A 1 ATOM 598 C CB . ILE A 1 72 ? -14.349 3.366 2.671 1.00 91.62 72 A 1 ATOM 599 C CG1 . ILE A 1 72 ? -13.185 3.400 1.650 1.00 89.05 72 A 1 ATOM 600 C CG2 . ILE A 1 72 ? -14.015 2.436 3.852 1.00 88.44 72 A 1 ATOM 601 C CD1 . ILE A 1 72 ? -11.883 3.971 2.209 1.00 83.43 72 A 1 ATOM 602 N N . THR A 1 73 ? -17.438 1.726 3.133 1.00 95.44 73 A 1 ATOM 603 C CA . THR A 1 73 ? -18.633 1.535 3.952 1.00 95.25 73 A 1 ATOM 604 C C . THR A 1 73 ? -18.319 0.632 5.133 1.00 95.43 73 A 1 ATOM 605 O O . THR A 1 73 ? -17.697 -0.415 4.988 1.00 94.41 73 A 1 ATOM 606 C CB . THR A 1 73 ? -19.793 0.966 3.124 1.00 93.78 73 A 1 ATOM 607 O OG1 . THR A 1 73 ? -19.998 1.757 1.976 1.00 83.45 73 A 1 ATOM 608 C CG2 . THR A 1 73 ? -21.109 0.971 3.896 1.00 82.34 73 A 1 ATOM 609 N N . LEU A 1 74 ? -18.769 1.042 6.315 1.00 94.70 74 A 1 ATOM 610 C CA . LEU A 1 74 ? -18.592 0.289 7.548 1.00 94.27 74 A 1 ATOM 611 C C . LEU A 1 74 ? -19.956 -0.047 8.150 1.00 94.31 74 A 1 ATOM 612 O O . LEU A 1 74 ? -20.740 0.844 8.465 1.00 92.64 74 A 1 ATOM 613 C CB . LEU A 1 74 ? -17.719 1.120 8.496 1.00 92.51 74 A 1 ATOM 614 C CG . LEU A 1 74 ? -17.249 0.334 9.730 1.00 86.67 74 A 1 ATOM 615 C CD1 . LEU A 1 74 ? -16.157 -0.667 9.361 1.00 82.87 74 A 1 ATOM 616 C CD2 . LEU A 1 74 ? -16.687 1.306 10.759 1.00 81.99 74 A 1 ATOM 617 N N . LEU A 1 75 ? -20.210 -1.341 8.358 1.00 94.00 75 A 1 ATOM 618 C CA . LEU A 1 75 ? -21.411 -1.839 9.016 1.00 93.42 75 A 1 ATOM 619 C C . LEU A 1 75 ? -21.019 -2.566 10.302 1.00 93.48 75 A 1 ATOM 620 O O . LEU A 1 75 ? -20.168 -3.446 10.291 1.00 92.27 75 A 1 ATOM 621 C CB . LEU A 1 75 ? -22.180 -2.737 8.032 1.00 92.19 75 A 1 ATOM 622 C CG . LEU A 1 75 ? -23.458 -3.374 8.616 1.00 89.67 75 A 1 ATOM 623 C CD1 . LEU A 1 75 ? -24.510 -2.325 8.976 1.00 84.44 75 A 1 ATOM 624 C CD2 . LEU A 1 75 ? -24.067 -4.337 7.603 1.00 83.71 75 A 1 ATOM 625 N N . THR A 1 76 ? -21.660 -2.221 11.412 1.00 92.37 76 A 1 ATOM 626 C CA . THR A 1 76 ? -21.478 -2.945 12.676 1.00 91.16 76 A 1 ATOM 627 C C . THR A 1 76 ? -22.742 -3.724 12.998 1.00 90.72 76 A 1 ATOM 628 O O . THR A 1 76 ? -23.817 -3.140 13.124 1.00 88.96 76 A 1 ATOM 629 C CB . THR A 1 76 ? -21.088 -2.005 13.821 1.00 89.39 76 A 1 ATOM 630 O OG1 . THR A 1 76 ? -19.965 -1.231 13.458 1.00 83.65 76 A 1 ATOM 631 C CG2 . THR A 1 76 ? -20.695 -2.776 15.078 1.00 82.42 76 A 1 ATOM 632 N N . VAL A 1 77 ? -22.601 -5.042 13.152 1.00 90.63 77 A 1 ATOM 633 C CA . VAL A 1 77 ? -23.694 -5.962 13.473 1.00 89.68 77 A 1 ATOM 634 C C . VAL A 1 77 ? -23.363 -6.756 14.736 1.00 89.58 77 A 1 ATOM 635 O O . VAL A 1 77 ? -22.220 -6.778 15.197 1.00 88.19 77 A 1 ATOM 636 C CB . VAL A 1 77 ? -24.032 -6.889 12.289 1.00 88.24 77 A 1 ATOM 637 C CG1 . VAL A 1 77 ? -24.545 -6.086 11.089 1.00 83.52 77 A 1 ATOM 638 C CG2 . VAL A 1 77 ? -22.845 -7.751 11.838 1.00 83.34 77 A 1 ATOM 639 N N . THR A 1 78 ? -24.364 -7.401 15.328 1.00 88.04 78 A 1 ATOM 640 C CA . THR A 1 78 ? -24.118 -8.381 16.389 1.00 87.49 78 A 1 ATOM 641 C C . THR A 1 78 ? -23.570 -9.673 15.785 1.00 87.91 78 A 1 ATOM 642 O O . THR A 1 78 ? -23.905 -10.014 14.651 1.00 86.96 78 A 1 ATOM 643 C CB . THR A 1 78 ? -25.385 -8.677 17.200 1.00 85.59 78 A 1 ATOM 644 O OG1 . THR A 1 78 ? -26.394 -9.222 16.384 1.00 80.55 78 A 1 ATOM 645 C CG2 . THR A 1 78 ? -25.968 -7.424 17.856 1.00 79.21 78 A 1 ATOM 646 N N . GLU A 1 79 ? -22.813 -10.444 16.563 1.00 86.55 79 A 1 ATOM 647 C CA . GLU A 1 79 ? -22.317 -11.747 16.110 1.00 86.57 79 A 1 ATOM 648 C C . GLU A 1 79 ? -23.461 -12.677 15.685 1.00 86.90 79 A 1 ATOM 649 O O . GLU A 1 79 ? -23.410 -13.318 14.641 1.00 85.81 79 A 1 ATOM 650 C CB . GLU A 1 79 ? -21.477 -12.378 17.229 1.00 85.23 79 A 1 ATOM 651 C CG . GLU A 1 79 ? -20.724 -13.638 16.754 1.00 79.26 79 A 1 ATOM 652 C CD . GLU A 1 79 ? -19.766 -13.353 15.588 1.00 78.94 79 A 1 ATOM 653 O OE1 . GLU A 1 79 ? -19.421 -14.281 14.834 1.00 72.65 79 A 1 ATOM 654 O OE2 . GLU A 1 79 ? -19.364 -12.185 15.385 1.00 73.24 79 A 1 ATOM 655 N N . LYS A 1 80 ? -24.579 -12.651 16.412 1.00 85.50 80 A 1 ATOM 656 C CA . LYS A 1 80 ? -25.784 -13.417 16.067 1.00 85.74 80 A 1 ATOM 657 C C . LYS A 1 80 ? -26.374 -13.042 14.700 1.00 86.69 80 A 1 ATOM 658 O O . LYS A 1 80 ? -26.957 -13.894 14.035 1.00 85.35 80 A 1 ATOM 659 C CB . LYS A 1 80 ? -26.821 -13.246 17.187 1.00 84.03 80 A 1 ATOM 660 C CG . LYS A 1 80 ? -28.029 -14.176 17.005 1.00 74.72 80 A 1 ATOM 661 C CD . LYS A 1 80 ? -28.989 -14.089 18.199 1.00 70.09 80 A 1 ATOM 662 C CE . LYS A 1 80 ? -30.130 -15.095 18.019 1.00 61.16 80 A 1 ATOM 663 N NZ . LYS A 1 80 ? -31.014 -15.167 19.209 1.00 55.47 80 A 1 ATOM 664 N N . GLN A 1 81 ? -26.292 -11.772 14.289 1.00 87.05 81 A 1 ATOM 665 C CA . GLN A 1 81 ? -26.729 -11.347 12.954 1.00 87.57 81 A 1 ATOM 666 C C . GLN A 1 81 ? -25.746 -11.818 11.883 1.00 88.09 81 A 1 ATOM 667 O O . GLN A 1 81 ? -26.188 -12.286 10.840 1.00 87.11 81 A 1 ATOM 668 C CB . GLN A 1 81 ? -26.871 -9.819 12.894 1.00 86.18 81 A 1 ATOM 669 C CG . GLN A 1 81 ? -28.130 -9.312 13.602 1.00 82.48 81 A 1 ATOM 670 C CD . GLN A 1 81 ? -28.054 -7.816 13.898 1.00 79.92 81 A 1 ATOM 671 O OE1 . GLN A 1 81 ? -27.062 -7.311 14.392 1.00 74.19 81 A 1 ATOM 672 N NE2 . GLN A 1 81 ? -29.096 -7.065 13.637 1.00 71.04 81 A 1 ATOM 673 N N . PHE A 1 82 ? -24.439 -11.744 12.152 1.00 87.53 82 A 1 ATOM 674 C CA . PHE A 1 82 ? -23.413 -12.208 11.222 1.00 87.91 82 A 1 ATOM 675 C C . PHE A 1 82 ? -23.486 -13.722 10.986 1.00 88.10 82 A 1 ATOM 676 O O . PHE A 1 82 ? -23.430 -14.163 9.843 1.00 87.52 82 A 1 ATOM 677 C CB . PHE A 1 82 ? -22.037 -11.799 11.740 1.00 87.06 82 A 1 ATOM 678 C CG . PHE A 1 82 ? -20.934 -12.126 10.760 1.00 87.50 82 A 1 ATOM 679 C CD1 . PHE A 1 82 ? -20.266 -13.359 10.820 1.00 84.45 82 A 1 ATOM 680 C CD2 . PHE A 1 82 ? -20.605 -11.204 9.751 1.00 84.04 82 A 1 ATOM 681 C CE1 . PHE A 1 82 ? -19.258 -13.672 9.886 1.00 83.07 82 A 1 ATOM 682 C CE2 . PHE A 1 82 ? -19.597 -11.507 8.819 1.00 82.38 82 A 1 ATOM 683 C CZ . PHE A 1 82 ? -18.923 -12.741 8.887 1.00 83.62 82 A 1 ATOM 684 N N . ALA A 1 83 ? -23.707 -14.510 12.030 1.00 87.18 83 A 1 ATOM 685 C CA . ALA A 1 83 ? -23.855 -15.966 11.946 1.00 86.36 83 A 1 ATOM 686 C C . ALA A 1 83 ? -25.064 -16.419 11.098 1.00 86.63 83 A 1 ATOM 687 O O . ALA A 1 83 ? -25.141 -17.577 10.699 1.00 84.65 83 A 1 ATOM 688 C CB . ALA A 1 83 ? -23.947 -16.512 13.376 1.00 84.44 83 A 1 ATOM 689 N N . ARG A 1 84 ? -26.007 -15.514 10.805 1.00 86.69 84 A 1 ATOM 690 C CA . ARG A 1 84 ? -27.144 -15.767 9.898 1.00 86.84 84 A 1 ATOM 691 C C . ARG A 1 84 ? -26.815 -15.471 8.428 1.00 87.16 84 A 1 ATOM 692 O O . ARG A 1 84 ? -27.719 -15.530 7.597 1.00 84.20 84 A 1 ATOM 693 C CB . ARG A 1 84 ? -28.363 -14.951 10.345 1.00 85.69 84 A 1 ATOM 694 C CG . ARG A 1 84 ? -28.907 -15.407 11.701 1.00 79.44 84 A 1 ATOM 695 C CD . ARG A 1 84 ? -30.007 -14.442 12.126 1.00 74.88 84 A 1 ATOM 696 N NE . ARG A 1 84 ? -30.645 -14.868 13.388 1.00 67.03 84 A 1 ATOM 697 C CZ . ARG A 1 84 ? -31.709 -14.294 13.937 1.00 59.95 84 A 1 ATOM 698 N NH1 . ARG A 1 84 ? -32.241 -13.214 13.431 1.00 55.17 84 A 1 ATOM 699 N NH2 . ARG A 1 84 ? -32.253 -14.811 14.994 1.00 52.05 84 A 1 ATOM 700 N N . MET A 1 85 ? -25.583 -15.122 8.110 1.00 82.97 85 A 1 ATOM 701 C CA . MET A 1 85 ? -25.158 -14.887 6.734 1.00 81.78 85 A 1 ATOM 702 C C . MET A 1 85 ? -25.388 -16.145 5.896 1.00 82.22 85 A 1 ATOM 703 O O . MET A 1 85 ? -24.916 -17.230 6.238 1.00 81.08 85 A 1 ATOM 704 C CB . MET A 1 85 ? -23.690 -14.452 6.711 1.00 78.96 85 A 1 ATOM 705 C CG . MET A 1 85 ? -23.194 -14.120 5.301 1.00 74.98 85 A 1 ATOM 706 S SD . MET A 1 85 ? -21.480 -13.511 5.242 1.00 72.67 85 A 1 ATOM 707 C CE . MET A 1 85 ? -21.673 -11.873 5.976 1.00 65.32 85 A 1 ATOM 708 N N . VAL A 1 86 ? -26.124 -15.984 4.791 1.00 81.94 86 A 1 ATOM 709 C CA . VAL A 1 86 ? -26.404 -17.064 3.843 1.00 82.05 86 A 1 ATOM 710 C C . VAL A 1 86 ? -25.358 -17.026 2.738 1.00 81.53 86 A 1 ATOM 711 O O . VAL A 1 86 ? -25.164 -15.993 2.095 1.00 78.99 86 A 1 ATOM 712 C CB . VAL A 1 86 ? -27.832 -16.967 3.277 1.00 80.55 86 A 1 ATOM 713 C CG1 . VAL A 1 86 ? -28.125 -18.103 2.289 1.00 72.82 86 A 1 ATOM 714 C CG2 . VAL A 1 86 ? -28.880 -17.042 4.396 1.00 74.55 86 A 1 ATOM 715 N N . TYR A 1 87 ? -24.712 -18.158 2.501 1.00 79.28 87 A 1 ATOM 716 C CA . TYR A 1 87 ? -23.792 -18.350 1.390 1.00 77.87 87 A 1 ATOM 717 C C . TYR A 1 87 ? -24.581 -18.945 0.222 1.00 78.39 87 A 1 ATOM 718 O O . TYR A 1 87 ? -25.014 -20.091 0.290 1.00 75.31 87 A 1 ATOM 719 C CB . TYR A 1 87 ? -22.625 -19.243 1.829 1.00 74.10 87 A 1 ATOM 720 C CG . TYR A 1 87 ? -21.712 -18.589 2.849 1.00 69.27 87 A 1 ATOM 721 C CD1 . TYR A 1 87 ? -20.451 -18.102 2.457 1.00 64.15 87 A 1 ATOM 722 C CD2 . TYR A 1 87 ? -22.124 -18.437 4.188 1.00 63.72 87 A 1 ATOM 723 C CE1 . TYR A 1 87 ? -19.610 -17.473 3.389 1.00 60.94 87 A 1 ATOM 724 C CE2 . TYR A 1 87 ? -21.295 -17.797 5.124 1.00 60.77 87 A 1 ATOM 725 C CZ . TYR A 1 87 ? -20.037 -17.316 4.718 1.00 61.11 87 A 1 ATOM 726 O OH . TYR A 1 87 ? -19.230 -16.688 5.630 1.00 58.58 87 A 1 ATOM 727 N N . LEU A 1 88 ? -24.796 -18.155 -0.827 1.00 81.28 88 A 1 ATOM 728 C CA . LEU A 1 88 ? -25.505 -18.620 -2.028 1.00 80.68 88 A 1 ATOM 729 C C . LEU A 1 88 ? -24.635 -19.544 -2.892 1.00 79.50 88 A 1 ATOM 730 O O . LEU A 1 88 ? -25.147 -20.430 -3.571 1.00 74.91 88 A 1 ATOM 731 C CB . LEU A 1 88 ? -25.979 -17.414 -2.855 1.00 80.82 88 A 1 ATOM 732 C CG . LEU A 1 88 ? -27.051 -16.543 -2.177 1.00 76.00 88 A 1 ATOM 733 C CD1 . LEU A 1 88 ? -27.385 -15.359 -3.086 1.00 70.59 88 A 1 ATOM 734 C CD2 . LEU A 1 88 ? -28.349 -17.310 -1.907 1.00 71.34 88 A 1 ATOM 735 N N . SER A 1 89 ? -23.316 -19.328 -2.864 1.00 76.19 89 A 1 ATOM 736 C CA . SER A 1 89 ? -22.312 -20.177 -3.497 1.00 75.02 89 A 1 ATOM 737 C C . SER A 1 89 ? -20.990 -20.079 -2.740 1.00 72.27 89 A 1 ATOM 738 O O . SER A 1 89 ? -20.728 -19.081 -2.065 1.00 67.45 89 A 1 ATOM 739 C CB . SER A 1 89 ? -22.125 -19.791 -4.972 1.00 72.60 89 A 1 ATOM 740 O OG . SER A 1 89 ? -21.635 -18.470 -5.099 1.00 65.05 89 A 1 ATOM 741 N N . GLY A 1 90 ? -20.140 -21.101 -2.871 1.00 67.42 90 A 1 ATOM 742 C CA . GLY A 1 90 ? -18.900 -21.209 -2.112 1.00 66.70 90 A 1 ATOM 743 C C . GLY A 1 90 ? -19.128 -21.678 -0.674 1.00 67.66 90 A 1 ATOM 744 O O . GLY A 1 90 ? -20.247 -21.958 -0.246 1.00 63.85 90 A 1 ATOM 745 N N . GLU A 1 91 ? -18.025 -21.769 0.078 1.00 60.10 91 A 1 ATOM 746 C CA . GLU A 1 91 ? -18.039 -22.261 1.453 1.00 62.33 91 A 1 ATOM 747 C C . GLU A 1 91 ? -17.726 -21.149 2.449 1.00 62.73 91 A 1 ATOM 748 O O . GLU A 1 91 ? -16.994 -20.196 2.166 1.00 58.06 91 A 1 ATOM 749 C CB . GLU A 1 91 ? -17.070 -23.434 1.630 1.00 58.19 91 A 1 ATOM 750 C CG . GLU A 1 91 ? -17.502 -24.673 0.831 1.00 51.68 91 A 1 ATOM 751 C CD . GLU A 1 91 ? -16.667 -25.921 1.146 1.00 46.57 91 A 1 ATOM 752 O OE1 . GLU A 1 91 ? -16.923 -26.950 0.491 1.00 42.38 91 A 1 ATOM 753 O OE2 . GLU A 1 91 ? -15.808 -25.854 2.059 1.00 44.68 91 A 1 ATOM 754 N N . GLN A 1 92 ? -18.255 -21.294 3.658 1.00 60.55 92 A 1 ATOM 755 C CA . GLN A 1 92 ? -17.902 -20.418 4.761 1.00 61.52 92 A 1 ATOM 756 C C . GLN A 1 92 ? -16.433 -20.621 5.132 1.00 62.23 92 A 1 ATOM 757 O O . GLN A 1 92 ? -15.972 -21.742 5.336 1.00 58.60 92 A 1 ATOM 758 C CB . GLN A 1 92 ? -18.834 -20.685 5.953 1.00 58.74 92 A 1 ATOM 759 C CG . GLN A 1 92 ? -18.593 -19.690 7.095 1.00 52.24 92 A 1 ATOM 760 C CD . GLN A 1 92 ? -19.608 -19.806 8.229 1.00 49.78 92 A 1 ATOM 761 O OE1 . GLN A 1 92 ? -20.447 -20.684 8.271 1.00 49.22 92 A 1 ATOM 762 N NE2 . GLN A 1 92 ? -19.561 -18.916 9.195 1.00 48.08 92 A 1 ATOM 763 N N . ASN A 1 93 ? -15.708 -19.520 5.312 1.00 63.48 93 A 1 ATOM 764 C CA . ASN A 1 93 ? -14.363 -19.586 5.869 1.00 63.50 93 A 1 ATOM 765 C C . ASN A 1 93 ? -14.432 -20.041 7.337 1.00 63.90 93 A 1 ATOM 766 O O . ASN A 1 93 ? -14.818 -19.273 8.219 1.00 59.91 93 A 1 ATOM 767 C CB . ASN A 1 93 ? -13.674 -18.227 5.679 1.00 59.87 93 A 1 ATOM 768 C CG . ASN A 1 93 ? -12.221 -18.248 6.131 1.00 53.83 93 A 1 ATOM 769 O OD1 . ASN A 1 93 ? -11.719 -19.202 6.694 1.00 50.73 93 A 1 ATOM 770 N ND2 . ASN A 1 93 ? -11.501 -17.175 5.888 1.00 50.87 93 A 1 ATOM 771 N N . LYS A 1 94 ? -14.033 -21.283 7.591 1.00 59.45 94 A 1 ATOM 772 C CA . LYS A 1 94 ? -14.028 -21.906 8.925 1.00 60.82 94 A 1 ATOM 773 C C . LYS A 1 94 ? -12.791 -21.536 9.761 1.00 61.85 94 A 1 ATOM 774 O O . LYS A 1 94 ? -12.523 -22.170 10.774 1.00 57.02 94 A 1 ATOM 775 C CB . LYS A 1 94 ? -14.178 -23.430 8.790 1.00 57.37 94 A 1 ATOM 776 C CG . LYS A 1 94 ? -15.504 -23.859 8.137 1.00 53.13 94 A 1 ATOM 777 C CD . LYS A 1 94 ? -15.566 -25.391 8.045 1.00 48.09 94 A 1 ATOM 778 C CE . LYS A 1 94 ? -16.838 -25.843 7.325 1.00 43.44 94 A 1 ATOM 779 N NZ . LYS A 1 94 ? -16.828 -27.307 7.050 1.00 37.56 94 A 1 ATOM 780 N N . SER A 1 95 ? -12.014 -20.529 9.354 1.00 60.48 95 A 1 ATOM 781 C CA . SER A 1 95 ? -10.855 -20.110 10.140 1.00 61.78 95 A 1 ATOM 782 C C . SER A 1 95 ? -11.284 -19.695 11.549 1.00 61.81 95 A 1 ATOM 783 O O . SER A 1 95 ? -12.305 -19.029 11.732 1.00 59.27 95 A 1 ATOM 784 C CB . SER A 1 95 ? -10.080 -18.982 9.451 1.00 58.41 95 A 1 ATOM 785 O OG . SER A 1 95 ? -10.824 -17.784 9.411 1.00 52.64 95 A 1 ATOM 786 N N . ILE A 1 96 ? -10.445 -20.016 12.534 1.00 53.58 96 A 1 ATOM 787 C CA . ILE A 1 96 ? -10.679 -19.712 13.952 1.00 55.48 96 A 1 ATOM 788 C C . ILE A 1 96 ? -11.015 -18.234 14.180 1.00 56.46 96 A 1 ATOM 789 O O . ILE A 1 96 ? -11.892 -17.905 14.975 1.00 52.22 96 A 1 ATOM 790 C CB . ILE A 1 96 ? -9.418 -20.119 14.733 1.00 52.83 96 A 1 ATOM 791 C CG1 . ILE A 1 96 ? -9.263 -21.661 14.706 1.00 48.50 96 A 1 ATOM 792 C CG2 . ILE A 1 96 ? -9.451 -19.584 16.166 1.00 48.56 96 A 1 ATOM 793 C CD1 . ILE A 1 96 ? -7.842 -22.110 15.019 1.00 44.78 96 A 1 ATOM 794 N N . GLY A 1 97 ? -10.384 -17.327 13.440 1.00 57.45 97 A 1 ATOM 795 C CA . GLY A 1 97 ? -10.660 -15.895 13.538 1.00 58.04 97 A 1 ATOM 796 C C . GLY A 1 97 ? -12.080 -15.472 13.119 1.00 60.05 97 A 1 ATOM 797 O O . GLY A 1 97 ? -12.484 -14.341 13.405 1.00 58.06 97 A 1 ATOM 798 N N . ASN A 1 98 ? -12.849 -16.351 12.472 1.00 61.29 98 A 1 ATOM 799 C CA . ASN A 1 98 ? -14.266 -16.145 12.164 1.00 62.75 98 A 1 ATOM 800 C C . ASN A 1 98 ? -15.214 -16.663 13.259 1.00 62.82 98 A 1 ATOM 801 O O . ASN A 1 98 ? -16.414 -16.395 13.186 1.00 60.46 98 A 1 ATOM 802 C CB . ASN A 1 98 ? -14.594 -16.747 10.782 1.00 61.43 98 A 1 ATOM 803 C CG . ASN A 1 98 ? -14.304 -15.799 9.631 1.00 56.66 98 A 1 ATOM 804 O OD1 . ASN A 1 98 ? -14.100 -14.611 9.787 1.00 53.16 98 A 1 ATOM 805 N ND2 . ASN A 1 98 ? -14.347 -16.300 8.417 1.00 51.86 98 A 1 ATOM 806 N N . SER A 1 99 ? -14.701 -17.365 14.261 1.00 58.11 99 A 1 ATOM 807 C CA . SER A 1 99 ? -15.472 -17.838 15.412 1.00 59.53 99 A 1 ATOM 808 C C . SER A 1 99 ? -15.401 -16.839 16.570 1.00 58.87 99 A 1 ATOM 809 O O . SER A 1 99 ? -14.362 -16.231 16.816 1.00 56.39 99 A 1 ATOM 810 C CB . SER A 1 99 ? -14.966 -19.213 15.840 1.00 56.92 99 A 1 ATOM 811 O OG . SER A 1 99 ? -15.781 -19.712 16.879 1.00 52.04 99 A 1 ATOM 812 N N . ASP A 1 100 ? -16.498 -16.690 17.298 1.00 56.80 100 A 1 ATOM 813 C CA . ASP A 1 100 ? -16.553 -15.963 18.570 1.00 58.66 100 A 1 ATOM 814 C C . ASP A 1 100 ? -16.374 -16.883 19.789 1.00 59.38 100 A 1 ATOM 815 O O . ASP A 1 100 ? -16.556 -16.458 20.935 1.00 56.12 100 A 1 ATOM 816 C CB . ASP A 1 100 ? -17.846 -15.129 18.646 1.00 56.04 100 A 1 ATOM 817 C CG . ASP A 1 100 ? -19.121 -15.948 18.849 1.00 51.27 100 A 1 ATOM 818 O OD1 . ASP A 1 100 ? -19.162 -17.114 18.405 1.00 47.27 100 A 1 ATOM 819 O OD2 . ASP A 1 100 ? -20.069 -15.385 19.448 1.00 48.07 100 A 1 ATOM 820 N N . ALA A 1 101 ? -15.995 -18.147 19.546 1.00 49.38 101 A 1 ATOM 821 C CA . ALA A 1 101 ? -15.745 -19.119 20.596 1.00 51.64 101 A 1 ATOM 822 C C . ALA A 1 101 ? -14.681 -18.593 21.574 1.00 51.81 101 A 1 ATOM 823 O O . ALA A 1 101 ? -13.603 -18.152 21.189 1.00 48.87 101 A 1 ATOM 824 C CB . ALA A 1 101 ? -15.343 -20.463 19.975 1.00 49.73 101 A 1 ATOM 825 N N . ARG A 1 102 ? -14.997 -18.652 22.879 1.00 49.46 102 A 1 ATOM 826 C CA . ARG A 1 102 ? -14.076 -18.208 23.938 1.00 49.77 102 A 1 ATOM 827 C C . ARG A 1 102 ? -12.909 -19.166 24.146 1.00 48.32 102 A 1 ATOM 828 O O . ARG A 1 102 ? -11.841 -18.736 24.560 1.00 47.15 102 A 1 ATOM 829 C CB . ARG A 1 102 ? -14.824 -18.056 25.261 1.00 50.32 102 A 1 ATOM 830 C CG . ARG A 1 102 ? -15.819 -16.896 25.231 1.00 45.83 102 A 1 ATOM 831 C CD . ARG A 1 102 ? -16.448 -16.769 26.617 1.00 44.02 102 A 1 ATOM 832 N NE . ARG A 1 102 ? -17.427 -15.673 26.662 1.00 39.43 102 A 1 ATOM 833 C CZ . ARG A 1 102 ? -18.131 -15.310 27.720 1.00 36.58 102 A 1 ATOM 834 N NH1 . ARG A 1 102 ? -18.007 -15.915 28.868 1.00 33.11 102 A 1 ATOM 835 N NH2 . ARG A 1 102 ? -18.976 -14.330 27.624 1.00 31.04 102 A 1 ATOM 836 N N . LEU A 1 103 ? -13.171 -20.444 23.930 1.00 46.26 103 A 1 ATOM 837 C CA . LEU A 1 103 ? -12.185 -21.508 23.975 1.00 46.98 103 A 1 ATOM 838 C C . LEU A 1 103 ? -11.953 -21.958 22.544 1.00 45.20 103 A 1 ATOM 839 O O . LEU A 1 103 ? -12.879 -22.419 21.874 1.00 43.87 103 A 1 ATOM 840 C CB . LEU A 1 103 ? -12.688 -22.652 24.870 1.00 46.58 103 A 1 ATOM 841 C CG . LEU A 1 103 ? -12.506 -22.344 26.367 1.00 40.87 103 A 1 ATOM 842 C CD1 . LEU A 1 103 ? -13.468 -23.179 27.201 1.00 37.43 103 A 1 ATOM 843 C CD2 . LEU A 1 103 ? -11.080 -22.638 26.827 1.00 39.64 103 A 1 ATOM 844 N N . VAL A 1 104 ? -10.718 -21.763 22.087 1.00 42.25 104 A 1 ATOM 845 C CA . VAL A 1 104 ? -10.279 -22.198 20.777 1.00 46.71 104 A 1 ATOM 846 C C . VAL A 1 104 ? -9.168 -23.211 20.996 1.00 45.77 104 A 1 ATOM 847 O O . VAL A 1 104 ? -8.096 -22.861 21.489 1.00 45.48 104 A 1 ATOM 848 C CB . VAL A 1 104 ? -9.819 -21.012 19.922 1.00 48.33 104 A 1 ATOM 849 C CG1 . VAL A 1 104 ? -9.393 -21.541 18.569 1.00 42.00 104 A 1 ATOM 850 C CG2 . VAL A 1 104 ? -10.948 -19.987 19.701 1.00 45.27 104 A 1 ATOM 851 N N . PHE A 1 105 ? -9.441 -24.460 20.647 1.00 44.37 105 A 1 ATOM 852 C CA . PHE A 1 105 ? -8.433 -25.507 20.642 1.00 46.17 105 A 1 ATOM 853 C C . PHE A 1 105 ? -7.692 -25.427 19.303 1.00 45.20 105 A 1 ATOM 854 O O . PHE A 1 105 ? -8.304 -25.513 18.241 1.00 43.40 105 A 1 ATOM 855 C CB . PHE A 1 105 ? -9.095 -26.858 20.915 1.00 45.21 105 A 1 ATOM 856 C CG . PHE A 1 105 ? -9.744 -26.920 22.288 1.00 41.22 105 A 1 ATOM 857 C CD1 . PHE A 1 105 ? -8.979 -27.270 23.413 1.00 37.82 105 A 1 ATOM 858 C CD2 . PHE A 1 105 ? -11.105 -26.598 22.453 1.00 37.07 105 A 1 ATOM 859 C CE1 . PHE A 1 105 ? -9.569 -27.306 24.688 1.00 34.20 105 A 1 ATOM 860 C CE2 . PHE A 1 105 ? -11.697 -26.628 23.729 1.00 34.22 105 A 1 ATOM 861 C CZ . PHE A 1 105 ? -10.926 -26.983 24.847 1.00 34.15 105 A 1 ATOM 862 N N . LEU A 1 106 ? -6.377 -25.150 19.360 1.00 49.56 106 A 1 ATOM 863 C CA . LEU A 1 106 ? -5.496 -25.048 18.189 1.00 50.61 106 A 1 ATOM 864 C C . LEU A 1 106 ? -4.799 -26.377 17.860 1.00 48.41 106 A 1 ATOM 865 O O . LEU A 1 106 ? -4.016 -26.420 16.913 1.00 45.83 106 A 1 ATOM 866 C CB . LEU A 1 106 ? -4.443 -23.948 18.436 1.00 51.13 106 A 1 ATOM 867 C CG . LEU A 1 106 ? -4.978 -22.505 18.405 1.00 45.85 106 A 1 ATOM 868 C CD1 . LEU A 1 106 ? -3.894 -21.537 18.885 1.00 42.33 106 A 1 ATOM 869 C CD2 . LEU A 1 106 ? -5.359 -22.084 16.994 1.00 44.84 106 A 1 ATOM 870 N N . GLY A 1 107 ? -5.000 -27.400 18.680 1.00 47.93 107 A 1 ATOM 871 C CA . GLY A 1 107 ? -4.440 -28.731 18.462 1.00 46.10 107 A 1 ATOM 872 C C . GLY A 1 107 ? -5.253 -29.541 17.460 1.00 45.28 107 A 1 ATOM 873 O O . GLY A 1 107 ? -6.298 -29.087 16.991 1.00 43.15 107 A 1 ATOM 874 N N . ASP A 1 108 ? -4.746 -30.734 17.159 1.00 38.20 108 A 1 ATOM 875 C CA . ASP A 1 108 ? -5.559 -31.783 16.546 1.00 40.13 108 A 1 ATOM 876 C C . ASP A 1 108 ? -6.810 -32.015 17.397 1.00 39.77 108 A 1 ATOM 877 O O . ASP A 1 108 ? -6.812 -31.718 18.596 1.00 36.61 108 A 1 ATOM 878 C CB . ASP A 1 108 ? -4.734 -33.079 16.400 1.00 38.91 108 A 1 ATOM 879 C CG . ASP A 1 108 ? -3.595 -32.957 15.375 1.00 34.69 108 A 1 ATOM 880 O OD1 . ASP A 1 108 ? -3.782 -32.251 14.359 1.00 31.99 108 A 1 ATOM 881 O OD2 . ASP A 1 108 ? -2.517 -33.539 15.633 1.00 31.92 108 A 1 ATOM 882 N N . ASP A 1 109 ? -7.863 -32.512 16.769 1.00 38.67 109 A 1 ATOM 883 C CA . ASP A 1 109 ? -9.057 -32.917 17.495 1.00 40.53 109 A 1 ATOM 884 C C . ASP A 1 109 ? -8.626 -33.835 18.642 1.00 38.53 109 A 1 ATOM 885 O O . ASP A 1 109 ? -8.082 -34.915 18.427 1.00 35.93 109 A 1 ATOM 886 C CB . ASP A 1 109 ? -10.071 -33.604 16.561 1.00 40.10 109 A 1 ATOM 887 C CG . ASP A 1 109 ? -10.846 -32.626 15.662 1.00 36.63 109 A 1 ATOM 888 O OD1 . ASP A 1 109 ? -11.209 -31.531 16.159 1.00 34.88 109 A 1 ATOM 889 O OD2 . ASP A 1 109 ? -11.081 -32.955 14.481 1.00 34.09 109 A 1 ATOM 890 N N . ALA A 1 110 ? -8.842 -33.388 19.872 1.00 33.87 110 A 1 ATOM 891 C CA . ALA A 1 110 ? -8.780 -34.268 21.024 1.00 35.81 110 A 1 ATOM 892 C C . ALA A 1 110 ? -10.039 -35.149 20.991 1.00 36.09 110 A 1 ATOM 893 O O . ALA A 1 110 ? -10.936 -34.994 21.813 1.00 34.21 110 A 1 ATOM 894 C CB . ALA A 1 110 ? -8.614 -33.428 22.298 1.00 34.88 110 A 1 ATOM 895 N N . ASP A 1 111 ? -10.101 -36.027 19.998 1.00 33.55 111 A 1 ATOM 896 C CA . ASP A 1 111 ? -11.160 -37.032 19.829 1.00 34.90 111 A 1 ATOM 897 C C . ASP A 1 111 ? -11.240 -38.010 21.010 1.00 33.40 111 A 1 ATOM 898 O O . ASP A 1 111 ? -12.227 -38.728 21.148 1.00 30.80 111 A 1 ATOM 899 C CB . ASP A 1 111 ? -10.890 -37.837 18.543 1.00 34.58 111 A 1 ATOM 900 C CG . ASP A 1 111 ? -11.448 -37.238 17.245 1.00 31.07 111 A 1 ATOM 901 O OD1 . ASP A 1 111 ? -12.389 -36.417 17.315 1.00 29.05 111 A 1 ATOM 902 O OD2 . ASP A 1 111 ? -10.980 -37.688 16.175 1.00 28.40 111 A 1 ATOM 903 N N . GLU A 1 112 ? -10.197 -38.051 21.852 1.00 28.78 112 A 1 ATOM 904 C CA . GLU A 1 112 ? -10.078 -39.110 22.867 1.00 31.04 112 A 1 ATOM 905 C C . GLU A 1 112 ? -10.961 -38.952 24.117 1.00 29.77 112 A 1 ATOM 906 O O . GLU A 1 112 ? -10.900 -39.827 24.978 1.00 28.11 112 A 1 ATOM 907 C CB . GLU A 1 112 ? -8.609 -39.319 23.270 1.00 31.25 112 A 1 ATOM 908 C CG . GLU A 1 112 ? -7.835 -40.197 22.284 1.00 28.25 112 A 1 ATOM 909 C CD . GLU A 1 112 ? -6.497 -40.703 22.853 1.00 26.36 112 A 1 ATOM 910 O OE1 . GLU A 1 112 ? -5.969 -41.692 22.296 1.00 23.72 112 A 1 ATOM 911 O OE2 . GLU A 1 112 ? -5.998 -40.131 23.851 1.00 27.63 112 A 1 ATOM 912 N N . PHE A 1 113 ? -11.779 -37.880 24.252 1.00 28.52 113 A 1 ATOM 913 C CA . PHE A 1 113 ? -12.660 -37.758 25.424 1.00 28.20 113 A 1 ATOM 914 C C . PHE A 1 113 ? -14.147 -37.883 25.103 1.00 26.75 113 A 1 ATOM 915 O O . PHE A 1 113 ? -14.643 -37.118 24.248 1.00 23.10 113 A 1 ATOM 916 C CB . PHE A 1 113 ? -12.348 -36.495 26.222 1.00 26.07 113 A 1 ATOM 917 C CG . PHE A 1 113 ? -11.053 -36.570 27.004 1.00 26.34 113 A 1 ATOM 918 C CD1 . PHE A 1 113 ? -10.981 -37.350 28.169 1.00 23.34 113 A 1 ATOM 919 C CD2 . PHE A 1 113 ? -9.918 -35.877 26.560 1.00 22.20 113 A 1 ATOM 920 C CE1 . PHE A 1 113 ? -9.780 -37.436 28.890 1.00 23.62 113 A 1 ATOM 921 C CE2 . PHE A 1 113 ? -8.717 -35.963 27.278 1.00 26.29 113 A 1 ATOM 922 C CZ . PHE A 1 113 ? -8.647 -36.742 28.442 1.00 25.76 113 A 1 ATOM 923 O OXT . PHE A 1 113 ? -14.765 -38.755 25.756 1.00 31.57 113 A 1 ATOM 924 N N . MET B 2 1 ? 15.151 13.813 -15.648 1.00 71.03 1 B 1 ATOM 925 C CA . MET B 2 1 ? 15.222 15.203 -16.162 1.00 81.23 1 B 1 ATOM 926 C C . MET B 2 1 ? 14.779 16.134 -15.048 1.00 85.60 1 B 1 ATOM 927 O O . MET B 2 1 ? 13.811 15.805 -14.382 1.00 81.29 1 B 1 ATOM 928 C CB . MET B 2 1 ? 14.346 15.344 -17.412 1.00 70.70 1 B 1 ATOM 929 C CG . MET B 2 1 ? 14.533 16.672 -18.152 1.00 59.42 1 B 1 ATOM 930 S SD . MET B 2 1 ? 13.614 16.706 -19.722 1.00 53.63 1 B 1 ATOM 931 C CE . MET B 2 1 ? 14.118 18.303 -20.392 1.00 44.99 1 B 1 ATOM 932 N N . PHE B 2 2 ? 15.484 17.252 -14.787 1.00 90.18 2 B 1 ATOM 933 C CA . PHE B 2 2 ? 15.116 18.172 -13.709 1.00 92.22 2 B 1 ATOM 934 C C . PHE B 2 2 ? 13.892 19.001 -14.107 1.00 93.08 2 B 1 ATOM 935 O O . PHE B 2 2 ? 13.871 19.593 -15.191 1.00 90.15 2 B 1 ATOM 936 C CB . PHE B 2 2 ? 16.297 19.076 -13.363 1.00 90.22 2 B 1 ATOM 937 C CG . PHE B 2 2 ? 17.457 18.341 -12.730 1.00 89.95 2 B 1 ATOM 938 C CD1 . PHE B 2 2 ? 17.408 18.002 -11.367 1.00 86.66 2 B 1 ATOM 939 C CD2 . PHE B 2 2 ? 18.583 17.980 -13.491 1.00 84.92 2 B 1 ATOM 940 C CE1 . PHE B 2 2 ? 18.474 17.308 -10.774 1.00 82.67 2 B 1 ATOM 941 C CE2 . PHE B 2 2 ? 19.649 17.282 -12.899 1.00 83.55 2 B 1 ATOM 942 C CZ . PHE B 2 2 ? 19.595 16.945 -11.540 1.00 85.69 2 B 1 ATOM 943 N N . ASN B 2 3 ? 12.902 19.104 -13.222 1.00 91.01 3 B 1 ATOM 944 C CA . ASN B 2 3 ? 11.762 19.993 -13.414 1.00 92.07 3 B 1 ATOM 945 C C . ASN B 2 3 ? 12.172 21.437 -13.081 1.00 93.63 3 B 1 ATOM 946 O O . ASN B 2 3 ? 12.028 21.908 -11.955 1.00 92.45 3 B 1 ATOM 947 C CB . ASN B 2 3 ? 10.558 19.482 -12.603 1.00 88.45 3 B 1 ATOM 948 C CG . ASN B 2 3 ? 9.307 20.299 -12.886 1.00 83.69 3 B 1 ATOM 949 O OD1 . ASN B 2 3 ? 9.331 21.305 -13.582 1.00 76.28 3 B 1 ATOM 950 N ND2 . ASN B 2 3 ? 8.182 19.870 -12.362 1.00 74.63 3 B 1 ATOM 951 N N . LYS B 2 4 ? 12.702 22.166 -14.080 1.00 94.32 4 B 1 ATOM 952 C CA . LYS B 2 4 ? 13.187 23.546 -13.917 1.00 94.82 4 B 1 ATOM 953 C C . LYS B 2 4 ? 12.117 24.497 -13.371 1.00 95.38 4 B 1 ATOM 954 O O . LYS B 2 4 ? 12.444 25.388 -12.595 1.00 94.83 4 B 1 ATOM 955 C CB . LYS B 2 4 ? 13.722 24.091 -15.249 1.00 93.25 4 B 1 ATOM 956 C CG . LYS B 2 4 ? 14.990 23.373 -15.736 1.00 83.53 4 B 1 ATOM 957 C CD . LYS B 2 4 ? 15.517 24.052 -17.005 1.00 78.79 4 B 1 ATOM 958 C CE . LYS B 2 4 ? 16.795 23.379 -17.504 1.00 67.55 4 B 1 ATOM 959 N NZ . LYS B 2 4 ? 17.351 24.062 -18.705 1.00 60.74 4 B 1 ATOM 960 N N . ALA B 2 5 ? 10.858 24.318 -13.763 1.00 95.07 5 B 1 ATOM 961 C CA . ALA B 2 5 ? 9.756 25.158 -13.296 1.00 95.17 5 B 1 ATOM 962 C C . ALA B 2 5 ? 9.506 24.973 -11.788 1.00 95.36 5 B 1 ATOM 963 O O . ALA B 2 5 ? 9.297 25.947 -11.068 1.00 94.16 5 B 1 ATOM 964 C CB . ALA B 2 5 ? 8.508 24.821 -14.119 1.00 94.07 5 B 1 ATOM 965 N N . GLU B 2 6 ? 9.602 23.746 -11.303 1.00 95.89 6 B 1 ATOM 966 C CA . GLU B 2 6 ? 9.419 23.416 -9.889 1.00 94.95 6 B 1 ATOM 967 C C . GLU B 2 6 ? 10.598 23.908 -9.035 1.00 95.83 6 B 1 ATOM 968 O O . GLU B 2 6 ? 10.391 24.482 -7.968 1.00 95.46 6 B 1 ATOM 969 C CB . GLU B 2 6 ? 9.203 21.904 -9.803 1.00 93.24 6 B 1 ATOM 970 C CG . GLU B 2 6 ? 8.367 21.467 -8.598 1.00 79.53 6 B 1 ATOM 971 C CD . GLU B 2 6 ? 7.817 20.044 -8.788 1.00 70.05 6 B 1 ATOM 972 O OE1 . GLU B 2 6 ? 6.769 19.751 -8.168 1.00 62.67 6 B 1 ATOM 973 O OE2 . GLU B 2 6 ? 8.378 19.286 -9.609 1.00 63.34 6 B 1 ATOM 974 N N . ILE B 2 7 ? 11.830 23.809 -9.562 1.00 95.71 7 B 1 ATOM 975 C CA . ILE B 2 7 ? 13.044 24.362 -8.936 1.00 96.63 7 B 1 ATOM 976 C C . ILE B 2 7 ? 12.948 25.891 -8.818 1.00 97.21 7 B 1 ATOM 977 O O . ILE B 2 7 ? 13.198 26.444 -7.749 1.00 97.10 7 B 1 ATOM 978 C CB . ILE B 2 7 ? 14.301 23.923 -9.721 1.00 96.48 7 B 1 ATOM 979 C CG1 . ILE B 2 7 ? 14.472 22.387 -9.644 1.00 95.34 7 B 1 ATOM 980 C CG2 . ILE B 2 7 ? 15.566 24.618 -9.188 1.00 95.20 7 B 1 ATOM 981 C CD1 . ILE B 2 7 ? 15.509 21.823 -10.622 1.00 92.31 7 B 1 ATOM 982 N N . MET B 2 8 ? 12.531 26.586 -9.885 1.00 97.33 8 B 1 ATOM 983 C CA . MET B 2 8 ? 12.315 28.040 -9.865 1.00 97.38 8 B 1 ATOM 984 C C . MET B 2 8 ? 11.238 28.432 -8.852 1.00 97.59 8 B 1 ATOM 985 O O . MET B 2 8 ? 11.434 29.366 -8.080 1.00 97.08 8 B 1 ATOM 986 C CB . MET B 2 8 ? 11.918 28.538 -11.257 1.00 96.29 8 B 1 ATOM 987 C CG . MET B 2 8 ? 13.114 28.659 -12.205 1.00 84.13 8 B 1 ATOM 988 S SD . MET B 2 8 ? 14.346 29.922 -11.757 1.00 79.93 8 B 1 ATOM 989 C CE . MET B 2 8 ? 13.392 31.445 -11.970 1.00 71.61 8 B 1 ATOM 990 N N . LYS B 2 9 ? 10.130 27.705 -8.808 1.00 97.18 9 B 1 ATOM 991 C CA . LYS B 2 9 ? 9.049 27.947 -7.850 1.00 97.05 9 B 1 ATOM 992 C C . LYS B 2 9 ? 9.529 27.776 -6.406 1.00 97.09 9 B 1 ATOM 993 O O . LYS B 2 9 ? 9.215 28.613 -5.562 1.00 96.67 9 B 1 ATOM 994 C CB . LYS B 2 9 ? 7.870 27.021 -8.177 1.00 96.53 9 B 1 ATOM 995 C CG . LYS B 2 9 ? 6.642 27.327 -7.306 1.00 88.64 9 B 1 ATOM 996 C CD . LYS B 2 9 ? 5.484 26.388 -7.664 1.00 85.03 9 B 1 ATOM 997 C CE . LYS B 2 9 ? 4.287 26.694 -6.767 1.00 73.61 9 B 1 ATOM 998 N NZ . LYS B 2 9 ? 3.158 25.761 -7.017 1.00 64.80 9 B 1 ATOM 999 N N . GLN B 2 10 ? 10.326 26.741 -6.127 1.00 97.05 10 B 1 ATOM 1000 C CA . GLN B 2 10 ? 10.912 26.522 -4.802 1.00 97.05 10 B 1 ATOM 1001 C C . GLN B 2 10 ? 11.847 27.667 -4.392 1.00 97.52 10 B 1 ATOM 1002 O O . GLN B 2 10 ? 11.755 28.161 -3.268 1.00 97.28 10 B 1 ATOM 1003 C CB . GLN B 2 10 ? 11.642 25.167 -4.797 1.00 96.24 10 B 1 ATOM 1004 C CG . GLN B 2 10 ? 12.222 24.794 -3.428 1.00 93.58 10 B 1 ATOM 1005 C CD . GLN B 2 10 ? 11.120 24.635 -2.376 1.00 91.48 10 B 1 ATOM 1006 O OE1 . GLN B 2 10 ? 10.421 23.639 -2.337 1.00 83.83 10 B 1 ATOM 1007 N NE2 . GLN B 2 10 ? 10.923 25.603 -1.518 1.00 80.37 10 B 1 ATOM 1008 N N . ALA B 2 11 ? 12.709 28.137 -5.313 1.00 96.98 11 B 1 ATOM 1009 C CA . ALA B 2 11 ? 13.616 29.259 -5.066 1.00 97.31 11 B 1 ATOM 1010 C C . ALA B 2 11 ? 12.848 30.558 -4.771 1.00 97.55 11 B 1 ATOM 1011 O O . ALA B 2 11 ? 13.171 31.249 -3.806 1.00 97.41 11 B 1 ATOM 1012 C CB . ALA B 2 11 ? 14.548 29.416 -6.272 1.00 97.31 11 B 1 ATOM 1013 N N . TRP B 2 12 ? 11.799 30.870 -5.551 1.00 97.76 12 B 1 ATOM 1014 C CA . TRP B 2 12 ? 10.936 32.029 -5.326 1.00 97.85 12 B 1 ATOM 1015 C C . TRP B 2 12 ? 10.184 31.949 -3.999 1.00 97.87 12 B 1 ATOM 1016 O O . TRP B 2 12 ? 10.105 32.951 -3.297 1.00 97.09 12 B 1 ATOM 1017 C CB . TRP B 2 12 ? 9.959 32.189 -6.492 1.00 97.37 12 B 1 ATOM 1018 C CG . TRP B 2 12 ? 10.503 32.999 -7.623 1.00 92.66 12 B 1 ATOM 1019 C CD1 . TRP B 2 12 ? 10.865 32.539 -8.841 1.00 83.68 12 B 1 ATOM 1020 C CD2 . TRP B 2 12 ? 10.758 34.439 -7.632 1.00 89.07 12 B 1 ATOM 1021 N NE1 . TRP B 2 12 ? 11.327 33.597 -9.622 1.00 81.09 12 B 1 ATOM 1022 C CE2 . TRP B 2 12 ? 11.282 34.775 -8.912 1.00 86.87 12 B 1 ATOM 1023 C CE3 . TRP B 2 12 ? 10.603 35.472 -6.688 1.00 81.64 12 B 1 ATOM 1024 C CZ2 . TRP B 2 12 ? 11.641 36.098 -9.245 1.00 84.66 12 B 1 ATOM 1025 C CZ3 . TRP B 2 12 ? 10.968 36.790 -7.019 1.00 79.11 12 B 1 ATOM 1026 C CH2 . TRP B 2 12 ? 11.483 37.093 -8.283 1.00 79.84 12 B 1 ATOM 1027 N N . ASN B 2 13 ? 9.671 30.779 -3.623 1.00 97.51 13 B 1 ATOM 1028 C CA . ASN B 2 13 ? 8.987 30.592 -2.343 1.00 97.05 13 B 1 ATOM 1029 C C . ASN B 2 13 ? 9.927 30.870 -1.162 1.00 97.28 13 B 1 ATOM 1030 O O . ASN B 2 13 ? 9.565 31.630 -0.274 1.00 96.60 13 B 1 ATOM 1031 C CB . ASN B 2 13 ? 8.420 29.170 -2.259 1.00 96.24 13 B 1 ATOM 1032 C CG . ASN B 2 13 ? 7.185 28.933 -3.112 1.00 84.29 13 B 1 ATOM 1033 O OD1 . ASN B 2 13 ? 6.592 29.796 -3.734 1.00 75.81 13 B 1 ATOM 1034 N ND2 . ASN B 2 13 ? 6.723 27.699 -3.138 1.00 74.30 13 B 1 ATOM 1035 N N . TRP B 2 14 ? 11.149 30.322 -1.164 1.00 97.27 14 B 1 ATOM 1036 C CA . TRP B 2 14 ? 12.131 30.605 -0.114 1.00 97.24 14 B 1 ATOM 1037 C C . TRP B 2 14 ? 12.548 32.076 -0.081 1.00 97.24 14 B 1 ATOM 1038 O O . TRP B 2 14 ? 12.684 32.643 0.998 1.00 96.47 14 B 1 ATOM 1039 C CB . TRP B 2 14 ? 13.361 29.721 -0.307 1.00 97.02 14 B 1 ATOM 1040 C CG . TRP B 2 14 ? 13.182 28.273 -0.002 1.00 97.06 14 B 1 ATOM 1041 C CD1 . TRP B 2 14 ? 12.295 27.737 0.871 1.00 95.61 14 B 1 ATOM 1042 C CD2 . TRP B 2 14 ? 13.981 27.162 -0.503 1.00 96.68 14 B 1 ATOM 1043 N NE1 . TRP B 2 14 ? 12.492 26.363 0.950 1.00 95.52 14 B 1 ATOM 1044 C CE2 . TRP B 2 14 ? 13.530 25.974 0.130 1.00 96.08 14 B 1 ATOM 1045 C CE3 . TRP B 2 14 ? 15.061 27.058 -1.416 1.00 96.02 14 B 1 ATOM 1046 C CZ2 . TRP B 2 14 ? 14.128 24.725 -0.115 1.00 95.26 14 B 1 ATOM 1047 C CZ3 . TRP B 2 14 ? 15.650 25.811 -1.660 1.00 95.37 14 B 1 ATOM 1048 C CH2 . TRP B 2 14 ? 15.189 24.660 -1.015 1.00 95.36 14 B 1 ATOM 1049 N N . PHE B 2 15 ? 12.749 32.704 -1.255 1.00 97.18 15 B 1 ATOM 1050 C CA . PHE B 2 15 ? 13.172 34.099 -1.338 1.00 97.26 15 B 1 ATOM 1051 C C . PHE B 2 15 ? 12.093 35.068 -0.832 1.00 97.29 15 B 1 ATOM 1052 O O . PHE B 2 15 ? 12.412 35.971 -0.061 1.00 96.89 15 B 1 ATOM 1053 C CB . PHE B 2 15 ? 13.576 34.406 -2.783 1.00 97.24 15 B 1 ATOM 1054 C CG . PHE B 2 15 ? 14.046 35.831 -2.976 1.00 97.21 15 B 1 ATOM 1055 C CD1 . PHE B 2 15 ? 13.259 36.751 -3.693 1.00 95.33 15 B 1 ATOM 1056 C CD2 . PHE B 2 15 ? 15.256 36.255 -2.408 1.00 95.88 15 B 1 ATOM 1057 C CE1 . PHE B 2 15 ? 13.686 38.085 -3.843 1.00 95.09 15 B 1 ATOM 1058 C CE2 . PHE B 2 15 ? 15.685 37.588 -2.551 1.00 95.04 15 B 1 ATOM 1059 C CZ . PHE B 2 15 ? 14.899 38.501 -3.269 1.00 95.52 15 B 1 ATOM 1060 N N . ASN B 2 16 ? 10.830 34.863 -1.216 1.00 97.35 16 B 1 ATOM 1061 C CA . ASN B 2 16 ? 9.717 35.767 -0.907 1.00 97.20 16 B 1 ATOM 1062 C C . ASN B 2 16 ? 9.122 35.549 0.490 1.00 97.11 16 B 1 ATOM 1063 O O . ASN B 2 16 ? 8.567 36.488 1.059 1.00 95.67 16 B 1 ATOM 1064 C CB . ASN B 2 16 ? 8.631 35.598 -1.977 1.00 96.43 16 B 1 ATOM 1065 C CG . ASN B 2 16 ? 9.048 36.105 -3.349 1.00 92.35 16 B 1 ATOM 1066 O OD1 . ASN B 2 16 ? 9.851 37.003 -3.516 1.00 82.55 16 B 1 ATOM 1067 N ND2 . ASN B 2 16 ? 8.470 35.551 -4.392 1.00 81.54 16 B 1 ATOM 1068 N N . ASP B 2 17 ? 9.215 34.350 1.050 1.00 96.54 17 B 1 ATOM 1069 C CA . ASP B 2 17 ? 8.685 34.080 2.384 1.00 96.29 17 B 1 ATOM 1070 C C . ASP B 2 17 ? 9.615 34.660 3.462 1.00 96.03 17 B 1 ATOM 1071 O O . ASP B 2 17 ? 10.702 34.139 3.731 1.00 94.72 17 B 1 ATOM 1072 C CB . ASP B 2 17 ? 8.424 32.582 2.567 1.00 95.51 17 B 1 ATOM 1073 C CG . ASP B 2 17 ? 7.622 32.277 3.838 1.00 94.60 17 B 1 ATOM 1074 O OD1 . ASP B 2 17 ? 7.541 33.153 4.728 1.00 91.13 17 B 1 ATOM 1075 O OD2 . ASP B 2 17 ? 7.060 31.161 3.902 1.00 90.21 17 B 1 ATOM 1076 N N . SER B 2 18 ? 9.185 35.760 4.086 1.00 95.92 18 B 1 ATOM 1077 C CA . SER B 2 18 ? 9.926 36.443 5.150 1.00 95.53 18 B 1 ATOM 1078 C C . SER B 2 18 ? 10.093 35.600 6.417 1.00 95.88 18 B 1 ATOM 1079 O O . SER B 2 18 ? 10.986 35.883 7.210 1.00 93.38 18 B 1 ATOM 1080 C CB . SER B 2 18 ? 9.226 37.760 5.506 1.00 94.19 18 B 1 ATOM 1081 O OG . SER B 2 18 ? 7.873 37.541 5.844 1.00 83.03 18 B 1 ATOM 1082 N N . ASN B 2 19 ? 9.270 34.567 6.611 1.00 95.59 19 B 1 ATOM 1083 C CA . ASN B 2 19 ? 9.354 33.673 7.769 1.00 95.50 19 B 1 ATOM 1084 C C . ASN B 2 19 ? 10.436 32.599 7.603 1.00 95.77 19 B 1 ATOM 1085 O O . ASN B 2 19 ? 10.846 31.986 8.587 1.00 93.46 19 B 1 ATOM 1086 C CB . ASN B 2 19 ? 7.988 33.019 8.004 1.00 94.51 19 B 1 ATOM 1087 C CG . ASN B 2 19 ? 6.884 34.039 8.215 1.00 88.55 19 B 1 ATOM 1088 O OD1 . ASN B 2 19 ? 6.972 34.946 9.023 1.00 79.75 19 B 1 ATOM 1089 N ND2 . ASN B 2 19 ? 5.808 33.917 7.468 1.00 77.19 19 B 1 ATOM 1090 N N . ILE B 2 20 ? 10.910 32.365 6.376 1.00 95.43 20 B 1 ATOM 1091 C CA . ILE B 2 20 ? 11.982 31.407 6.095 1.00 95.60 20 B 1 ATOM 1092 C C . ILE B 2 20 ? 13.321 32.137 6.167 1.00 95.55 20 B 1 ATOM 1093 O O . ILE B 2 20 ? 13.615 32.997 5.332 1.00 94.19 20 B 1 ATOM 1094 C CB . ILE B 2 20 ? 11.763 30.698 4.746 1.00 95.30 20 B 1 ATOM 1095 C CG1 . ILE B 2 20 ? 10.430 29.917 4.774 1.00 93.15 20 B 1 ATOM 1096 C CG2 . ILE B 2 20 ? 12.942 29.751 4.447 1.00 92.93 20 B 1 ATOM 1097 C CD1 . ILE B 2 20 ? 10.063 29.243 3.450 1.00 86.85 20 B 1 ATOM 1098 N N . TRP B 2 21 ? 14.151 31.784 7.147 1.00 95.65 21 B 1 ATOM 1099 C CA . TRP B 2 21 ? 15.491 32.337 7.298 1.00 95.31 21 B 1 ATOM 1100 C C . TRP B 2 21 ? 16.499 31.516 6.496 1.00 95.66 21 B 1 ATOM 1101 O O . TRP B 2 21 ? 16.236 30.384 6.077 1.00 93.76 21 B 1 ATOM 1102 C CB . TRP B 2 21 ? 15.847 32.430 8.786 1.00 93.69 21 B 1 ATOM 1103 C CG . TRP B 2 21 ? 15.009 33.369 9.611 1.00 90.11 21 B 1 ATOM 1104 C CD1 . TRP B 2 21 ? 13.786 33.860 9.302 1.00 82.01 21 B 1 ATOM 1105 C CD2 . TRP B 2 21 ? 15.333 33.940 10.917 1.00 84.62 21 B 1 ATOM 1106 N NE1 . TRP B 2 21 ? 13.320 34.690 10.312 1.00 76.88 21 B 1 ATOM 1107 C CE2 . TRP B 2 21 ? 14.249 34.763 11.327 1.00 81.21 21 B 1 ATOM 1108 C CE3 . TRP B 2 21 ? 16.444 33.839 11.791 1.00 75.40 21 B 1 ATOM 1109 C CZ2 . TRP B 2 21 ? 14.264 35.466 12.547 1.00 77.95 21 B 1 ATOM 1110 C CZ3 . TRP B 2 21 ? 16.454 34.539 13.006 1.00 72.81 21 B 1 ATOM 1111 C CH2 . TRP B 2 21 ? 15.376 35.343 13.375 1.00 73.41 21 B 1 ATOM 1112 N N . LEU B 2 22 ? 17.690 32.093 6.257 1.00 94.78 22 B 1 ATOM 1113 C CA . LEU B 2 22 ? 18.745 31.386 5.530 1.00 94.44 22 B 1 ATOM 1114 C C . LEU B 2 22 ? 19.145 30.075 6.234 1.00 94.28 22 B 1 ATOM 1115 O O . LEU B 2 22 ? 19.426 29.084 5.568 1.00 91.63 22 B 1 ATOM 1116 C CB . LEU B 2 22 ? 19.946 32.335 5.370 1.00 92.65 22 B 1 ATOM 1117 C CG . LEU B 2 22 ? 20.897 31.901 4.238 1.00 87.98 22 B 1 ATOM 1118 C CD1 . LEU B 2 22 ? 20.292 32.221 2.870 1.00 83.79 22 B 1 ATOM 1119 C CD2 . LEU B 2 22 ? 22.224 32.648 4.354 1.00 83.35 22 B 1 ATOM 1120 N N . SER B 2 23 ? 19.114 30.068 7.574 1.00 94.01 23 B 1 ATOM 1121 C CA . SER B 2 23 ? 19.378 28.905 8.428 1.00 92.97 23 B 1 ATOM 1122 C C . SER B 2 23 ? 18.353 27.779 8.283 1.00 93.55 23 B 1 ATOM 1123 O O . SER B 2 23 ? 18.673 26.641 8.595 1.00 91.33 23 B 1 ATOM 1124 C CB . SER B 2 23 ? 19.389 29.341 9.897 1.00 91.29 23 B 1 ATOM 1125 O OG . SER B 2 23 ? 18.212 30.060 10.218 1.00 82.09 23 B 1 ATOM 1126 N N . ASP B 2 24 ? 17.139 28.081 7.817 1.00 94.59 24 B 1 ATOM 1127 C CA . ASP B 2 24 ? 16.064 27.092 7.683 1.00 94.39 24 B 1 ATOM 1128 C C . ASP B 2 24 ? 16.167 26.310 6.363 1.00 95.04 24 B 1 ATOM 1129 O O . ASP B 2 24 ? 15.457 25.327 6.140 1.00 93.39 24 B 1 ATOM 1130 C CB . ASP B 2 24 ? 14.694 27.790 7.777 1.00 93.30 24 B 1 ATOM 1131 C CG . ASP B 2 24 ? 14.530 28.694 9.005 1.00 90.65 24 B 1 ATOM 1132 O OD1 . ASP B 2 24 ? 15.154 28.412 10.055 1.00 86.00 24 B 1 ATOM 1133 O OD2 . ASP B 2 24 ? 13.810 29.710 8.866 1.00 85.42 24 B 1 ATOM 1134 N N . ILE B 2 25 ? 17.056 26.750 5.465 1.00 95.14 25 B 1 ATOM 1135 C CA . ILE B 2 25 ? 17.282 26.117 4.169 1.00 95.51 25 B 1 ATOM 1136 C C . ILE B 2 25 ? 18.518 25.218 4.276 1.00 95.22 25 B 1 ATOM 1137 O O . ILE B 2 25 ? 19.648 25.677 4.123 1.00 93.73 25 B 1 ATOM 1138 C CB . ILE B 2 25 ? 17.395 27.163 3.041 1.00 95.62 25 B 1 ATOM 1139 C CG1 . ILE B 2 25 ? 16.176 28.120 3.008 1.00 94.63 25 B 1 ATOM 1140 C CG2 . ILE B 2 25 ? 17.535 26.429 1.694 1.00 94.39 25 B 1 ATOM 1141 C CD1 . ILE B 2 25 ? 16.324 29.282 2.013 1.00 93.32 25 B 1 ATOM 1142 N N . GLU B 2 26 ? 18.296 23.924 4.471 1.00 95.26 26 B 1 ATOM 1143 C CA . GLU B 2 26 ? 19.351 22.916 4.682 1.00 94.39 26 B 1 ATOM 1144 C C . GLU B 2 26 ? 20.417 22.884 3.563 1.00 94.72 26 B 1 ATOM 1145 O O . GLU B 2 26 ? 21.604 22.684 3.816 1.00 92.32 26 B 1 ATOM 1146 C CB . GLU B 2 26 ? 18.647 21.555 4.803 1.00 92.06 26 B 1 ATOM 1147 C CG . GLU B 2 26 ? 19.583 20.403 5.176 1.00 80.03 26 B 1 ATOM 1148 C CD . GLU B 2 26 ? 18.835 19.070 5.359 1.00 76.19 26 B 1 ATOM 1149 O OE1 . GLU B 2 26 ? 19.528 18.057 5.607 1.00 69.57 26 B 1 ATOM 1150 O OE2 . GLU B 2 26 ? 17.586 19.061 5.254 1.00 70.68 26 B 1 ATOM 1151 N N . TRP B 2 27 ? 20.007 23.159 2.317 1.00 96.05 27 B 1 ATOM 1152 C CA . TRP B 2 27 ? 20.897 23.090 1.150 1.00 96.21 27 B 1 ATOM 1153 C C . TRP B 2 27 ? 21.708 24.367 0.885 1.00 96.17 27 B 1 ATOM 1154 O O . TRP B 2 27 ? 22.386 24.466 -0.150 1.00 93.83 27 B 1 ATOM 1155 C CB . TRP B 2 27 ? 20.081 22.685 -0.085 1.00 95.80 27 B 1 ATOM 1156 C CG . TRP B 2 27 ? 19.374 21.381 0.058 1.00 95.59 27 B 1 ATOM 1157 C CD1 . TRP B 2 27 ? 19.905 20.168 -0.191 1.00 92.22 27 B 1 ATOM 1158 C CD2 . TRP B 2 27 ? 18.029 21.141 0.578 1.00 95.16 27 B 1 ATOM 1159 N NE1 . TRP B 2 27 ? 18.991 19.179 0.136 1.00 92.50 27 B 1 ATOM 1160 C CE2 . TRP B 2 27 ? 17.832 19.734 0.633 1.00 94.20 27 B 1 ATOM 1161 C CE3 . TRP B 2 27 ? 16.983 21.972 1.032 1.00 93.58 27 B 1 ATOM 1162 C CZ2 . TRP B 2 27 ? 16.650 19.162 1.152 1.00 92.73 27 B 1 ATOM 1163 C CZ3 . TRP B 2 27 ? 15.800 21.403 1.547 1.00 90.33 27 B 1 ATOM 1164 C CH2 . TRP B 2 27 ? 15.640 20.014 1.616 1.00 90.74 27 B 1 ATOM 1165 N N . VAL B 2 28 ? 21.648 25.372 1.770 1.00 95.10 28 B 1 ATOM 1166 C CA . VAL B 2 28 ? 22.461 26.588 1.667 1.00 94.51 28 B 1 ATOM 1167 C C . VAL B 2 28 ? 23.867 26.307 2.195 1.00 93.70 28 B 1 ATOM 1168 O O . VAL B 2 28 ? 24.056 25.675 3.228 1.00 90.59 28 B 1 ATOM 1169 C CB . VAL B 2 28 ? 21.785 27.769 2.374 1.00 93.40 28 B 1 ATOM 1170 C CG1 . VAL B 2 28 ? 22.694 28.997 2.478 1.00 86.29 28 B 1 ATOM 1171 C CG2 . VAL B 2 28 ? 20.552 28.212 1.578 1.00 87.76 28 B 1 ATOM 1172 N N . SER B 2 29 ? 24.886 26.813 1.491 1.00 93.26 29 B 1 ATOM 1173 C CA . SER B 2 29 ? 26.268 26.693 1.955 1.00 92.37 29 B 1 ATOM 1174 C C . SER B 2 29 ? 26.512 27.591 3.167 1.00 91.85 29 B 1 ATOM 1175 O O . SER B 2 29 ? 26.075 28.738 3.191 1.00 88.94 29 B 1 ATOM 1176 C CB . SER B 2 29 ? 27.230 27.066 0.824 1.00 90.27 29 B 1 ATOM 1177 O OG . SER B 2 29 ? 28.577 26.930 1.240 1.00 81.78 29 B 1 ATOM 1178 N N . TYR B 2 30 ? 27.319 27.131 4.129 1.00 91.19 30 B 1 ATOM 1179 C CA . TYR B 2 30 ? 27.759 27.941 5.279 1.00 90.09 30 B 1 ATOM 1180 C C . TYR B 2 30 ? 28.512 29.228 4.877 1.00 91.39 30 B 1 ATOM 1181 O O . TYR B 2 30 ? 28.660 30.139 5.692 1.00 89.26 30 B 1 ATOM 1182 C CB . TYR B 2 30 ? 28.644 27.075 6.186 1.00 87.28 30 B 1 ATOM 1183 C CG . TYR B 2 30 ? 30.007 26.755 5.593 1.00 80.14 30 B 1 ATOM 1184 C CD1 . TYR B 2 30 ? 30.201 25.593 4.820 1.00 73.38 30 B 1 ATOM 1185 C CD2 . TYR B 2 30 ? 31.090 27.632 5.801 1.00 72.06 30 B 1 ATOM 1186 C CE1 . TYR B 2 30 ? 31.455 25.311 4.250 1.00 65.24 30 B 1 ATOM 1187 C CE2 . TYR B 2 30 ? 32.350 27.361 5.231 1.00 65.45 30 B 1 ATOM 1188 C CZ . TYR B 2 30 ? 32.524 26.202 4.455 1.00 65.03 30 B 1 ATOM 1189 O OH . TYR B 2 30 ? 33.751 25.937 3.891 1.00 60.88 30 B 1 ATOM 1190 N N . THR B 2 31 ? 29.004 29.329 3.635 1.00 92.07 31 B 1 ATOM 1191 C CA . THR B 2 31 ? 29.661 30.528 3.094 1.00 92.38 31 B 1 ATOM 1192 C C . THR B 2 31 ? 28.669 31.583 2.604 1.00 93.29 31 B 1 ATOM 1193 O O . THR B 2 31 ? 29.056 32.739 2.425 1.00 90.74 31 B 1 ATOM 1194 C CB . THR B 2 31 ? 30.614 30.178 1.947 1.00 90.79 31 B 1 ATOM 1195 O OG1 . THR B 2 31 ? 29.945 29.534 0.884 1.00 82.65 31 B 1 ATOM 1196 C CG2 . THR B 2 31 ? 31.742 29.250 2.402 1.00 80.22 31 B 1 ATOM 1197 N N . ASP B 2 32 ? 27.408 31.208 2.362 1.00 93.07 32 B 1 ATOM 1198 C CA . ASP B 2 32 ? 26.376 32.122 1.891 1.00 92.85 32 B 1 ATOM 1199 C C . ASP B 2 32 ? 25.843 32.917 3.102 1.00 92.51 32 B 1 ATOM 1200 O O . ASP B 2 32 ? 25.330 32.346 4.062 1.00 90.10 32 B 1 ATOM 1201 C CB . ASP B 2 32 ? 25.286 31.341 1.127 1.00 92.09 32 B 1 ATOM 1202 C CG . ASP B 2 32 ? 25.782 30.601 -0.146 1.00 90.72 32 B 1 ATOM 1203 O OD1 . ASP B 2 32 ? 26.616 31.140 -0.905 1.00 84.88 32 B 1 ATOM 1204 O OD2 . ASP B 2 32 ? 25.315 29.470 -0.434 1.00 85.76 32 B 1 ATOM 1205 N N . LYS B 2 33 ? 26.008 34.262 3.089 1.00 92.65 33 B 1 ATOM 1206 C CA . LYS B 2 33 ? 25.671 35.146 4.225 1.00 92.32 33 B 1 ATOM 1207 C C . LYS B 2 33 ? 24.328 35.854 4.073 1.00 93.24 33 B 1 ATOM 1208 O O . LYS B 2 33 ? 23.738 36.262 5.068 1.00 89.65 33 B 1 ATOM 1209 C CB . LYS B 2 33 ? 26.778 36.183 4.439 1.00 89.57 33 B 1 ATOM 1210 C CG . LYS B 2 33 ? 28.108 35.542 4.855 1.00 82.78 33 B 1 ATOM 1211 C CD . LYS B 2 33 ? 29.126 36.629 5.207 1.00 72.78 33 B 1 ATOM 1212 C CE . LYS B 2 33 ? 30.442 35.989 5.642 1.00 64.89 33 B 1 ATOM 1213 N NZ . LYS B 2 33 ? 31.438 37.012 6.049 1.00 54.81 33 B 1 ATOM 1214 N N . GLU B 2 34 ? 23.860 36.027 2.838 1.00 93.96 34 B 1 ATOM 1215 C CA . GLU B 2 34 ? 22.647 36.772 2.518 1.00 94.36 34 B 1 ATOM 1216 C C . GLU B 2 34 ? 21.639 35.888 1.788 1.00 95.22 34 B 1 ATOM 1217 O O . GLU B 2 34 ? 21.992 35.098 0.907 1.00 93.83 34 B 1 ATOM 1218 C CB . GLU B 2 34 ? 22.970 38.015 1.683 1.00 91.45 34 B 1 ATOM 1219 C CG . GLU B 2 34 ? 23.758 39.068 2.478 1.00 78.29 34 B 1 ATOM 1220 C CD . GLU B 2 34 ? 24.032 40.348 1.680 1.00 72.22 34 B 1 ATOM 1221 O OE1 . GLU B 2 34 ? 24.666 41.254 2.262 1.00 64.78 34 B 1 ATOM 1222 O OE2 . GLU B 2 34 ? 23.635 40.411 0.493 1.00 64.75 34 B 1 ATOM 1223 N N . LYS B 2 35 ? 20.358 36.065 2.112 1.00 95.03 35 B 1 ATOM 1224 C CA . LYS B 2 35 ? 19.246 35.378 1.443 1.00 96.10 35 B 1 ATOM 1225 C C . LYS B 2 35 ? 18.921 36.045 0.094 1.00 96.60 35 B 1 ATOM 1226 O O . LYS B 2 35 ? 17.828 36.570 -0.117 1.00 95.65 35 B 1 ATOM 1227 C CB . LYS B 2 35 ? 18.048 35.303 2.399 1.00 94.72 35 B 1 ATOM 1228 C CG . LYS B 2 35 ? 16.949 34.358 1.900 1.00 94.58 35 B 1 ATOM 1229 C CD . LYS B 2 35 ? 15.728 34.474 2.817 1.00 93.07 35 B 1 ATOM 1230 C CE . LYS B 2 35 ? 14.538 33.713 2.250 1.00 91.09 35 B 1 ATOM 1231 N NZ . LYS B 2 35 ? 13.301 34.034 2.994 1.00 89.88 35 B 1 ATOM 1232 N N . SER B 2 36 ? 19.871 36.059 -0.820 1.00 96.75 36 B 1 ATOM 1233 C CA . SER B 2 36 ? 19.652 36.517 -2.189 1.00 96.87 36 B 1 ATOM 1234 C C . SER B 2 36 ? 18.876 35.475 -3.000 1.00 97.25 36 B 1 ATOM 1235 O O . SER B 2 36 ? 18.894 34.275 -2.700 1.00 96.73 36 B 1 ATOM 1236 C CB . SER B 2 36 ? 20.986 36.871 -2.853 1.00 95.99 36 B 1 ATOM 1237 O OG . SER B 2 36 ? 21.735 35.705 -3.112 1.00 91.14 36 B 1 ATOM 1238 N N . PHE B 2 37 ? 18.215 35.918 -4.076 1.00 97.22 37 B 1 ATOM 1239 C CA . PHE B 2 37 ? 17.538 34.988 -4.984 1.00 97.61 37 B 1 ATOM 1240 C C . PHE B 2 37 ? 18.511 33.970 -5.602 1.00 97.77 37 B 1 ATOM 1241 O O . PHE B 2 37 ? 18.160 32.800 -5.757 1.00 97.58 37 B 1 ATOM 1242 C CB . PHE B 2 37 ? 16.799 35.766 -6.076 1.00 97.54 37 B 1 ATOM 1243 C CG . PHE B 2 37 ? 16.056 34.852 -7.027 1.00 97.57 37 B 1 ATOM 1244 C CD1 . PHE B 2 37 ? 16.586 34.557 -8.297 1.00 95.93 37 B 1 ATOM 1245 C CD2 . PHE B 2 37 ? 14.871 34.220 -6.609 1.00 96.24 37 B 1 ATOM 1246 C CE1 . PHE B 2 37 ? 15.936 33.637 -9.136 1.00 95.60 37 B 1 ATOM 1247 C CE2 . PHE B 2 37 ? 14.222 33.299 -7.445 1.00 95.29 37 B 1 ATOM 1248 C CZ . PHE B 2 37 ? 14.757 33.006 -8.708 1.00 96.21 37 B 1 ATOM 1249 N N . SER B 2 38 ? 19.754 34.379 -5.900 1.00 97.46 38 B 1 ATOM 1250 C CA . SER B 2 38 ? 20.778 33.476 -6.434 1.00 97.37 38 B 1 ATOM 1251 C C . SER B 2 38 ? 21.172 32.377 -5.442 1.00 97.52 38 B 1 ATOM 1252 O O . SER B 2 38 ? 21.348 31.228 -5.851 1.00 96.99 38 B 1 ATOM 1253 C CB . SER B 2 38 ? 22.016 34.270 -6.869 1.00 96.52 38 B 1 ATOM 1254 O OG . SER B 2 38 ? 22.535 35.042 -5.804 1.00 81.55 38 B 1 ATOM 1255 N N . VAL B 2 39 ? 21.241 32.694 -4.148 1.00 97.51 39 B 1 ATOM 1256 C CA . VAL B 2 39 ? 21.492 31.717 -3.078 1.00 97.40 39 B 1 ATOM 1257 C C . VAL B 2 39 ? 20.322 30.737 -2.964 1.00 97.65 39 B 1 ATOM 1258 O O . VAL B 2 39 ? 20.539 29.525 -2.993 1.00 97.33 39 B 1 ATOM 1259 C CB . VAL B 2 39 ? 21.778 32.435 -1.744 1.00 96.81 39 B 1 ATOM 1260 C CG1 . VAL B 2 39 ? 21.820 31.472 -0.556 1.00 94.11 39 B 1 ATOM 1261 C CG2 . VAL B 2 39 ? 23.132 33.148 -1.815 1.00 94.15 39 B 1 ATOM 1262 N N . CYS B 2 40 ? 19.077 31.236 -2.944 1.00 97.32 40 B 1 ATOM 1263 C CA . CYS B 2 40 ? 17.879 30.393 -2.920 1.00 97.39 40 B 1 ATOM 1264 C C . CYS B 2 40 ? 17.789 29.474 -4.152 1.00 97.50 40 B 1 ATOM 1265 O O . CYS B 2 40 ? 17.452 28.298 -4.024 1.00 97.47 40 B 1 ATOM 1266 C CB . CYS B 2 40 ? 16.630 31.282 -2.826 1.00 97.39 40 B 1 ATOM 1267 S SG . CYS B 2 40 ? 16.592 32.185 -1.246 1.00 96.79 40 B 1 ATOM 1268 N N . LEU B 2 41 ? 18.134 29.984 -5.338 1.00 97.35 41 B 1 ATOM 1269 C CA . LEU B 2 41 ? 18.137 29.198 -6.573 1.00 97.46 41 B 1 ATOM 1270 C C . LEU B 2 41 ? 19.208 28.097 -6.545 1.00 97.46 41 B 1 ATOM 1271 O O . LEU B 2 41 ? 18.935 26.959 -6.927 1.00 97.32 41 B 1 ATOM 1272 C CB . LEU B 2 41 ? 18.320 30.147 -7.769 1.00 97.30 41 B 1 ATOM 1273 C CG . LEU B 2 41 ? 18.252 29.447 -9.141 1.00 95.54 41 B 1 ATOM 1274 C CD1 . LEU B 2 41 ? 16.903 28.777 -9.390 1.00 91.83 41 B 1 ATOM 1275 C CD2 . LEU B 2 41 ? 18.489 30.466 -10.254 1.00 91.79 41 B 1 ATOM 1276 N N . LYS B 2 42 ? 20.415 28.419 -6.065 1.00 97.35 42 B 1 ATOM 1277 C CA . LYS B 2 42 ? 21.501 27.441 -5.895 1.00 97.05 42 B 1 ATOM 1278 C C . LYS B 2 42 ? 21.100 26.336 -4.909 1.00 97.13 42 B 1 ATOM 1279 O O . LYS B 2 42 ? 21.287 25.160 -5.223 1.00 96.83 42 B 1 ATOM 1280 C CB . LYS B 2 42 ? 22.758 28.197 -5.446 1.00 96.24 42 B 1 ATOM 1281 C CG . LYS B 2 42 ? 24.013 27.326 -5.264 1.00 87.69 42 B 1 ATOM 1282 C CD . LYS B 2 42 ? 25.118 28.211 -4.672 1.00 85.68 42 B 1 ATOM 1283 C CE . LYS B 2 42 ? 26.333 27.443 -4.170 1.00 73.87 42 B 1 ATOM 1284 N NZ . LYS B 2 42 ? 27.105 28.279 -3.208 1.00 67.60 42 B 1 ATOM 1285 N N . ALA B 2 43 ? 20.487 26.700 -3.784 1.00 97.19 43 B 1 ATOM 1286 C CA . ALA B 2 43 ? 19.971 25.749 -2.799 1.00 97.03 43 B 1 ATOM 1287 C C . ALA B 2 43 ? 18.857 24.858 -3.381 1.00 97.20 43 B 1 ATOM 1288 O O . ALA B 2 43 ? 18.899 23.639 -3.225 1.00 96.98 43 B 1 ATOM 1289 C CB . ALA B 2 43 ? 19.491 26.537 -1.576 1.00 96.78 43 B 1 ATOM 1290 N N . ALA B 2 44 ? 17.923 25.423 -4.151 1.00 97.09 44 B 1 ATOM 1291 C CA . ALA B 2 44 ? 16.868 24.657 -4.819 1.00 97.01 44 B 1 ATOM 1292 C C . ALA B 2 44 ? 17.429 23.651 -5.844 1.00 96.99 44 B 1 ATOM 1293 O O . ALA B 2 44 ? 16.928 22.528 -5.953 1.00 96.72 44 B 1 ATOM 1294 C CB . ALA B 2 44 ? 15.886 25.643 -5.469 1.00 96.99 44 B 1 ATOM 1295 N N . TRP B 2 45 ? 18.501 24.017 -6.565 1.00 97.17 45 B 1 ATOM 1296 C CA . TRP B 2 45 ? 19.214 23.092 -7.446 1.00 97.20 45 B 1 ATOM 1297 C C . TRP B 2 45 ? 19.953 21.992 -6.678 1.00 97.14 45 B 1 ATOM 1298 O O . TRP B 2 45 ? 19.959 20.847 -7.134 1.00 96.52 45 B 1 ATOM 1299 C CB . TRP B 2 45 ? 20.186 23.858 -8.345 1.00 96.81 45 B 1 ATOM 1300 C CG . TRP B 2 45 ? 19.584 24.317 -9.633 1.00 95.24 45 B 1 ATOM 1301 C CD1 . TRP B 2 45 ? 19.261 25.592 -9.957 1.00 90.11 45 B 1 ATOM 1302 C CD2 . TRP B 2 45 ? 19.228 23.501 -10.791 1.00 93.16 45 B 1 ATOM 1303 N NE1 . TRP B 2 45 ? 18.736 25.629 -11.246 1.00 88.50 45 B 1 ATOM 1304 C CE2 . TRP B 2 45 ? 18.702 24.367 -11.787 1.00 91.36 45 B 1 ATOM 1305 C CE3 . TRP B 2 45 ? 19.316 22.123 -11.083 1.00 88.46 45 B 1 ATOM 1306 C CZ2 . TRP B 2 45 ? 18.272 23.880 -13.043 1.00 89.40 45 B 1 ATOM 1307 C CZ3 . TRP B 2 45 ? 18.882 21.641 -12.334 1.00 88.20 45 B 1 ATOM 1308 C CH2 . TRP B 2 45 ? 18.367 22.511 -13.298 1.00 88.06 45 B 1 ATOM 1309 N N . SER B 2 46 ? 20.569 22.306 -5.538 1.00 96.74 46 B 1 ATOM 1310 C CA . SER B 2 46 ? 21.224 21.316 -4.675 1.00 96.25 46 B 1 ATOM 1311 C C . SER B 2 46 ? 20.213 20.299 -4.143 1.00 96.34 46 B 1 ATOM 1312 O O . SER B 2 46 ? 20.422 19.103 -4.327 1.00 95.90 46 B 1 ATOM 1313 C CB . SER B 2 46 ? 21.967 21.998 -3.520 1.00 95.92 46 B 1 ATOM 1314 O OG . SER B 2 46 ? 23.045 22.766 -4.026 1.00 86.85 46 B 1 ATOM 1315 N N . LYS B 2 47 ? 19.075 20.767 -3.628 1.00 96.79 47 B 1 ATOM 1316 C CA . LYS B 2 47 ? 17.959 19.917 -3.201 1.00 96.42 47 B 1 ATOM 1317 C C . LYS B 2 47 ? 17.487 18.984 -4.316 1.00 96.25 47 B 1 ATOM 1318 O O . LYS B 2 47 ? 17.413 17.774 -4.130 1.00 95.90 47 B 1 ATOM 1319 C CB . LYS B 2 47 ? 16.814 20.812 -2.701 1.00 95.98 47 B 1 ATOM 1320 C CG . LYS B 2 47 ? 15.627 19.969 -2.227 1.00 94.77 47 B 1 ATOM 1321 C CD . LYS B 2 47 ? 14.482 20.830 -1.704 1.00 92.43 47 B 1 ATOM 1322 C CE . LYS B 2 47 ? 13.356 19.878 -1.310 1.00 87.61 47 B 1 ATOM 1323 N NZ . LYS B 2 47 ? 12.177 20.585 -0.774 1.00 82.07 47 B 1 ATOM 1324 N N . ALA B 2 48 ? 17.222 19.529 -5.504 1.00 96.60 48 B 1 ATOM 1325 C CA . ALA B 2 48 ? 16.750 18.726 -6.631 1.00 96.28 48 B 1 ATOM 1326 C C . ALA B 2 48 ? 17.775 17.669 -7.084 1.00 96.11 48 B 1 ATOM 1327 O O . ALA B 2 48 ? 17.390 16.587 -7.533 1.00 95.49 48 B 1 ATOM 1328 C CB . ALA B 2 48 ? 16.395 19.672 -7.781 1.00 96.07 48 B 1 ATOM 1329 N N . LYS B 2 49 ? 19.080 17.965 -6.984 1.00 96.38 49 B 1 ATOM 1330 C CA . LYS B 2 49 ? 20.134 16.982 -7.275 1.00 95.89 49 B 1 ATOM 1331 C C . LYS B 2 49 ? 20.139 15.851 -6.256 1.00 95.43 49 B 1 ATOM 1332 O O . LYS B 2 49 ? 20.217 14.697 -6.668 1.00 94.69 49 B 1 ATOM 1333 C CB . LYS B 2 49 ? 21.511 17.648 -7.316 1.00 95.40 49 B 1 ATOM 1334 C CG . LYS B 2 49 ? 21.749 18.427 -8.616 1.00 83.79 49 B 1 ATOM 1335 C CD . LYS B 2 49 ? 23.111 19.112 -8.528 1.00 80.60 49 B 1 ATOM 1336 C CE . LYS B 2 49 ? 23.404 19.917 -9.787 1.00 69.68 49 B 1 ATOM 1337 N NZ . LYS B 2 49 ? 24.732 20.584 -9.683 1.00 62.89 49 B 1 ATOM 1338 N N . GLU B 2 50 ? 20.030 16.188 -4.975 1.00 96.54 50 B 1 ATOM 1339 C CA . GLU B 2 50 ? 19.989 15.214 -3.883 1.00 95.93 50 B 1 ATOM 1340 C C . GLU B 2 50 ? 18.782 14.278 -4.016 1.00 95.55 50 B 1 ATOM 1341 O O . GLU B 2 50 ? 18.964 13.062 -4.065 1.00 94.29 50 B 1 ATOM 1342 C CB . GLU B 2 50 ? 19.995 15.985 -2.562 1.00 94.88 50 B 1 ATOM 1343 C CG . GLU B 2 50 ? 20.074 15.069 -1.340 1.00 88.19 50 B 1 ATOM 1344 C CD . GLU B 2 50 ? 20.330 15.877 -0.056 1.00 86.20 50 B 1 ATOM 1345 O OE1 . GLU B 2 50 ? 20.885 15.292 0.900 1.00 81.43 50 B 1 ATOM 1346 O OE2 . GLU B 2 50 ? 20.036 17.095 -0.056 1.00 82.71 50 B 1 ATOM 1347 N N . GLU B 2 51 ? 17.581 14.813 -4.249 1.00 95.46 51 B 1 ATOM 1348 C CA . GLU B 2 51 ? 16.363 14.021 -4.474 1.00 94.07 51 B 1 ATOM 1349 C C . GLU B 2 51 ? 16.506 13.051 -5.666 1.00 93.77 51 B 1 ATOM 1350 O O . GLU B 2 51 ? 16.097 11.888 -5.609 1.00 92.61 51 B 1 ATOM 1351 C CB . GLU B 2 51 ? 15.178 14.970 -4.733 1.00 93.16 51 B 1 ATOM 1352 C CG . GLU B 2 51 ? 14.709 15.751 -3.491 1.00 90.11 51 B 1 ATOM 1353 C CD . GLU B 2 51 ? 13.623 16.808 -3.791 1.00 87.25 51 B 1 ATOM 1354 O OE1 . GLU B 2 51 ? 13.076 17.396 -2.825 1.00 82.22 51 B 1 ATOM 1355 O OE2 . GLU B 2 51 ? 13.344 17.085 -4.984 1.00 83.79 51 B 1 ATOM 1356 N N . VAL B 2 52 ? 17.131 13.502 -6.766 1.00 94.60 52 B 1 ATOM 1357 C CA . VAL B 2 52 ? 17.395 12.635 -7.930 1.00 93.91 52 B 1 ATOM 1358 C C . VAL B 2 52 ? 18.420 11.550 -7.597 1.00 93.67 52 B 1 ATOM 1359 O O . VAL B 2 52 ? 18.318 10.426 -8.098 1.00 92.70 52 B 1 ATOM 1360 C CB . VAL B 2 52 ? 17.842 13.467 -9.144 1.00 92.92 52 B 1 ATOM 1361 C CG1 . VAL B 2 52 ? 18.401 12.622 -10.296 1.00 86.47 52 B 1 ATOM 1362 C CG2 . VAL B 2 52 ? 16.658 14.257 -9.715 1.00 88.34 52 B 1 ATOM 1363 N N . GLU B 2 53 ? 19.432 11.872 -6.796 1.00 95.23 53 B 1 ATOM 1364 C CA . GLU B 2 53 ? 20.474 10.925 -6.415 1.00 94.49 53 B 1 ATOM 1365 C C . GLU B 2 53 ? 19.950 9.872 -5.433 1.00 94.15 53 B 1 ATOM 1366 O O . GLU B 2 53 ? 20.226 8.681 -5.614 1.00 93.72 53 B 1 ATOM 1367 C CB . GLU B 2 53 ? 21.683 11.699 -5.882 1.00 94.05 53 B 1 ATOM 1368 C CG . GLU B 2 53 ? 22.902 10.784 -5.795 1.00 81.07 53 B 1 ATOM 1369 C CD . GLU B 2 53 ? 24.231 11.533 -5.617 1.00 71.67 53 B 1 ATOM 1370 O OE1 . GLU B 2 53 ? 25.257 10.813 -5.614 1.00 65.71 53 B 1 ATOM 1371 O OE2 . GLU B 2 53 ? 24.236 12.775 -5.520 1.00 66.14 53 B 1 ATOM 1372 N N . GLU B 2 54 ? 19.111 10.277 -4.479 1.00 95.06 54 B 1 ATOM 1373 C CA . GLU B 2 54 ? 18.393 9.362 -3.591 1.00 93.90 54 B 1 ATOM 1374 C C . GLU B 2 54 ? 17.455 8.439 -4.374 1.00 93.51 54 B 1 ATOM 1375 O O . GLU B 2 54 ? 17.552 7.219 -4.250 1.00 92.32 54 B 1 ATOM 1376 C CB . GLU B 2 54 ? 17.594 10.137 -2.548 1.00 93.04 54 B 1 ATOM 1377 C CG . GLU B 2 54 ? 18.495 10.769 -1.488 1.00 81.57 54 B 1 ATOM 1378 C CD . GLU B 2 54 ? 17.702 11.231 -0.264 1.00 73.93 54 B 1 ATOM 1379 O OE1 . GLU B 2 54 ? 18.299 11.188 0.834 1.00 67.46 54 B 1 ATOM 1380 O OE2 . GLU B 2 54 ? 16.496 11.530 -0.424 1.00 70.16 54 B 1 ATOM 1381 N N . SER B 2 55 ? 16.650 8.988 -5.285 1.00 91.93 55 B 1 ATOM 1382 C CA . SER B 2 55 ? 15.774 8.189 -6.157 1.00 90.03 55 B 1 ATOM 1383 C C . SER B 2 55 ? 16.563 7.179 -6.999 1.00 90.89 55 B 1 ATOM 1384 O O . SER B 2 55 ? 16.150 6.023 -7.159 1.00 89.21 55 B 1 ATOM 1385 C CB . SER B 2 55 ? 14.968 9.122 -7.056 1.00 87.61 55 B 1 ATOM 1386 O OG . SER B 2 55 ? 14.123 8.388 -7.918 1.00 76.00 55 B 1 ATOM 1387 N N . LYS B 2 56 ? 17.752 7.558 -7.498 1.00 91.78 56 B 1 ATOM 1388 C CA . LYS B 2 56 ? 18.638 6.625 -8.212 1.00 91.76 56 B 1 ATOM 1389 C C . LYS B 2 56 ? 19.201 5.540 -7.294 1.00 92.65 56 B 1 ATOM 1390 O O . LYS B 2 56 ? 19.322 4.393 -7.731 1.00 92.51 56 B 1 ATOM 1391 C CB . LYS B 2 56 ? 19.792 7.378 -8.871 1.00 91.25 56 B 1 ATOM 1392 C CG . LYS B 2 56 ? 19.370 8.115 -10.149 1.00 84.45 56 B 1 ATOM 1393 C CD . LYS B 2 56 ? 20.554 8.949 -10.641 1.00 82.35 56 B 1 ATOM 1394 C CE . LYS B 2 56 ? 20.182 9.733 -11.897 1.00 73.79 56 B 1 ATOM 1395 N NZ . LYS B 2 56 ? 21.308 10.601 -12.336 1.00 65.99 56 B 1 ATOM 1396 N N . LYS B 2 57 ? 19.582 5.882 -6.054 1.00 92.92 57 B 1 ATOM 1397 C CA . LYS B 2 57 ? 20.066 4.910 -5.062 1.00 92.73 57 B 1 ATOM 1398 C C . LYS B 2 57 ? 18.964 3.915 -4.712 1.00 93.09 57 B 1 ATOM 1399 O O . LYS B 2 57 ? 19.214 2.710 -4.753 1.00 92.15 57 B 1 ATOM 1400 C CB . LYS B 2 57 ? 20.577 5.626 -3.800 1.00 92.41 57 B 1 ATOM 1401 C CG . LYS B 2 57 ? 21.946 6.300 -3.998 1.00 84.08 57 B 1 ATOM 1402 C CD . LYS B 2 57 ? 22.317 7.127 -2.760 1.00 81.89 57 B 1 ATOM 1403 C CE . LYS B 2 57 ? 23.617 7.905 -2.982 1.00 71.47 57 B 1 ATOM 1404 N NZ . LYS B 2 57 ? 23.847 8.951 -1.943 1.00 63.68 57 B 1 ATOM 1405 N N . GLU B 2 58 ? 17.753 4.398 -4.473 1.00 92.82 58 B 1 ATOM 1406 C CA . GLU B 2 58 ? 16.590 3.559 -4.193 1.00 92.00 58 B 1 ATOM 1407 C C . GLU B 2 58 ? 16.265 2.638 -5.378 1.00 93.60 58 B 1 ATOM 1408 O O . GLU B 2 58 ? 16.165 1.421 -5.210 1.00 92.83 58 B 1 ATOM 1409 C CB . GLU B 2 58 ? 15.403 4.452 -3.814 1.00 89.25 58 B 1 ATOM 1410 C CG . GLU B 2 58 ? 14.214 3.605 -3.335 1.00 76.06 58 B 1 ATOM 1411 C CD . GLU B 2 58 ? 13.043 4.439 -2.802 1.00 70.95 58 B 1 ATOM 1412 O OE1 . GLU B 2 58 ? 12.237 3.865 -2.036 1.00 64.31 58 B 1 ATOM 1413 O OE2 . GLU B 2 58 ? 12.945 5.628 -3.168 1.00 67.36 58 B 1 ATOM 1414 N N . SER B 2 59 ? 16.245 3.168 -6.608 1.00 91.60 59 B 1 ATOM 1415 C CA . SER B 2 59 ? 16.032 2.369 -7.819 1.00 92.20 59 B 1 ATOM 1416 C C . SER B 2 59 ? 17.091 1.269 -7.987 1.00 94.26 59 B 1 ATOM 1417 O O . SER B 2 59 ? 16.768 0.132 -8.331 1.00 92.91 59 B 1 ATOM 1418 C CB . SER B 2 59 ? 16.045 3.258 -9.064 1.00 89.50 59 B 1 ATOM 1419 O OG . SER B 2 59 ? 15.058 4.263 -9.006 1.00 78.46 59 B 1 ATOM 1420 N N . LYS B 2 60 ? 18.368 1.577 -7.708 1.00 92.12 60 B 1 ATOM 1421 C CA . LYS B 2 60 ? 19.449 0.579 -7.737 1.00 93.11 60 B 1 ATOM 1422 C C . LYS B 2 60 ? 19.293 -0.479 -6.646 1.00 94.26 60 B 1 ATOM 1423 O O . LYS B 2 60 ? 19.662 -1.634 -6.871 1.00 92.98 60 B 1 ATOM 1424 C CB . LYS B 2 60 ? 20.814 1.257 -7.578 1.00 93.46 60 B 1 ATOM 1425 C CG . LYS B 2 60 ? 21.292 1.968 -8.850 1.00 83.62 60 B 1 ATOM 1426 C CD . LYS B 2 60 ? 22.620 2.675 -8.558 1.00 80.51 60 B 1 ATOM 1427 C CE . LYS B 2 60 ? 23.137 3.412 -9.794 1.00 68.19 60 B 1 ATOM 1428 N NZ . LYS B 2 60 ? 24.443 4.084 -9.531 1.00 58.75 60 B 1 ATOM 1429 N N . HIS B 2 61 ? 18.809 -0.082 -5.470 1.00 93.83 61 B 1 ATOM 1430 C CA . HIS B 2 61 ? 18.524 -1.008 -4.381 1.00 95.30 61 B 1 ATOM 1431 C C . HIS B 2 61 ? 17.388 -1.959 -4.762 1.00 96.65 61 B 1 ATOM 1432 O O . HIS B 2 61 ? 17.567 -3.177 -4.684 1.00 95.19 61 B 1 ATOM 1433 C CB . HIS B 2 61 ? 18.217 -0.220 -3.102 1.00 92.92 61 B 1 ATOM 1434 C CG . HIS B 2 61 ? 17.871 -1.123 -1.952 1.00 84.87 61 B 1 ATOM 1435 N ND1 . HIS B 2 61 ? 18.735 -1.960 -1.277 1.00 72.80 61 B 1 ATOM 1436 C CD2 . HIS B 2 61 ? 16.623 -1.321 -1.406 1.00 71.43 61 B 1 ATOM 1437 C CE1 . HIS B 2 61 ? 18.027 -2.635 -0.356 1.00 69.41 61 B 1 ATOM 1438 N NE2 . HIS B 2 61 ? 16.744 -2.270 -0.406 1.00 71.42 61 B 1 ATOM 1439 N N . ILE B 2 62 ? 16.275 -1.422 -5.278 1.00 95.97 62 B 1 ATOM 1440 C CA . ILE B 2 62 ? 15.127 -2.206 -5.749 1.00 96.63 62 B 1 ATOM 1441 C C . ILE B 2 62 ? 15.546 -3.193 -6.842 1.00 96.85 62 B 1 ATOM 1442 O O . ILE B 2 62 ? 15.250 -4.381 -6.735 1.00 96.10 62 B 1 ATOM 1443 C CB . ILE B 2 62 ? 13.994 -1.266 -6.213 1.00 96.07 62 B 1 ATOM 1444 C CG1 . ILE B 2 62 ? 13.395 -0.537 -4.985 1.00 94.15 62 B 1 ATOM 1445 C CG2 . ILE B 2 62 ? 12.902 -2.046 -6.973 1.00 94.21 62 B 1 ATOM 1446 C CD1 . ILE B 2 62 ? 12.405 0.573 -5.337 1.00 91.13 62 B 1 ATOM 1447 N N . ALA B 2 63 ? 16.311 -2.745 -7.847 1.00 96.51 63 B 1 ATOM 1448 C CA . ALA B 2 63 ? 16.754 -3.593 -8.957 1.00 96.00 63 B 1 ATOM 1449 C C . ALA B 2 63 ? 17.577 -4.820 -8.511 1.00 96.28 63 B 1 ATOM 1450 O O . ALA B 2 63 ? 17.591 -5.851 -9.191 1.00 94.75 63 B 1 ATOM 1451 C CB . ALA B 2 63 ? 17.564 -2.724 -9.927 1.00 94.95 63 B 1 ATOM 1452 N N . LYS B 2 64 ? 18.268 -4.726 -7.363 1.00 96.28 64 B 1 ATOM 1453 C CA . LYS B 2 64 ? 19.083 -5.812 -6.797 1.00 96.23 64 B 1 ATOM 1454 C C . LYS B 2 64 ? 18.381 -6.581 -5.676 1.00 96.97 64 B 1 ATOM 1455 O O . LYS B 2 64 ? 18.948 -7.554 -5.179 1.00 95.38 64 B 1 ATOM 1456 C CB . LYS B 2 64 ? 20.427 -5.253 -6.316 1.00 95.06 64 B 1 ATOM 1457 C CG . LYS B 2 64 ? 21.281 -4.716 -7.476 1.00 89.05 64 B 1 ATOM 1458 C CD . LYS B 2 64 ? 22.626 -4.225 -6.936 1.00 81.93 64 B 1 ATOM 1459 C CE . LYS B 2 64 ? 23.490 -3.700 -8.084 1.00 70.48 64 B 1 ATOM 1460 N NZ . LYS B 2 64 ? 24.845 -3.309 -7.608 1.00 61.38 64 B 1 ATOM 1461 N N . SER B 2 65 ? 17.193 -6.142 -5.280 1.00 97.04 65 B 1 ATOM 1462 C CA . SER B 2 65 ? 16.470 -6.688 -4.140 1.00 97.53 65 B 1 ATOM 1463 C C . SER B 2 65 ? 16.047 -8.143 -4.364 1.00 97.92 65 B 1 ATOM 1464 O O . SER B 2 65 ? 15.818 -8.592 -5.494 1.00 97.80 65 B 1 ATOM 1465 C CB . SER B 2 65 ? 15.260 -5.818 -3.793 1.00 97.08 65 B 1 ATOM 1466 O OG . SER B 2 65 ? 14.282 -5.887 -4.812 1.00 96.23 65 B 1 ATOM 1467 N N . GLU B 2 66 ? 15.944 -8.881 -3.270 1.00 97.67 66 B 1 ATOM 1468 C CA . GLU B 2 66 ? 15.395 -10.234 -3.287 1.00 97.81 66 B 1 ATOM 1469 C C . GLU B 2 66 ? 13.898 -10.209 -3.613 1.00 98.03 66 B 1 ATOM 1470 O O . GLU B 2 66 ? 13.418 -11.050 -4.368 1.00 97.70 66 B 1 ATOM 1471 C CB . GLU B 2 66 ? 15.667 -10.909 -1.941 1.00 97.28 66 B 1 ATOM 1472 C CG . GLU B 2 66 ? 15.309 -12.399 -1.991 1.00 93.58 66 B 1 ATOM 1473 C CD . GLU B 2 66 ? 15.573 -13.138 -0.674 1.00 91.35 66 B 1 ATOM 1474 O OE1 . GLU B 2 66 ? 15.290 -14.360 -0.654 1.00 85.28 66 B 1 ATOM 1475 O OE2 . GLU B 2 66 ? 16.043 -12.500 0.296 1.00 86.86 66 B 1 ATOM 1476 N N . GLU B 2 67 ? 13.183 -9.189 -3.141 1.00 98.14 67 B 1 ATOM 1477 C CA . GLU B 2 67 ? 11.754 -9.004 -3.383 1.00 98.14 67 B 1 ATOM 1478 C C . GLU B 2 67 ? 11.434 -8.899 -4.881 1.00 98.30 67 B 1 ATOM 1479 O O . GLU B 2 67 ? 10.530 -9.580 -5.363 1.00 98.12 67 B 1 ATOM 1480 C CB . GLU B 2 67 ? 11.239 -7.749 -2.660 1.00 97.72 67 B 1 ATOM 1481 C CG . GLU B 2 67 ? 11.247 -7.844 -1.123 1.00 95.50 67 B 1 ATOM 1482 C CD . GLU B 2 67 ? 12.546 -7.386 -0.449 1.00 94.94 67 B 1 ATOM 1483 O OE1 . GLU B 2 67 ? 12.451 -7.029 0.752 1.00 88.47 67 B 1 ATOM 1484 O OE2 . GLU B 2 67 ? 13.608 -7.358 -1.102 1.00 90.62 67 B 1 ATOM 1485 N N . LEU B 2 68 ? 12.199 -8.093 -5.644 1.00 98.13 68 B 1 ATOM 1486 C CA . LEU B 2 68 ? 11.988 -7.976 -7.087 1.00 98.18 68 B 1 ATOM 1487 C C . LEU B 2 68 ? 12.328 -9.279 -7.821 1.00 98.32 68 B 1 ATOM 1488 O O . LEU B 2 68 ? 11.610 -9.691 -8.735 1.00 98.25 68 B 1 ATOM 1489 C CB . LEU B 2 68 ? 12.797 -6.789 -7.638 1.00 97.95 68 B 1 ATOM 1490 C CG . LEU B 2 68 ? 12.582 -6.548 -9.147 1.00 97.12 68 B 1 ATOM 1491 C CD1 . LEU B 2 68 ? 11.132 -6.196 -9.486 1.00 95.90 68 B 1 ATOM 1492 C CD2 . LEU B 2 68 ? 13.479 -5.407 -9.624 1.00 95.74 68 B 1 ATOM 1493 N N . LYS B 2 69 ? 13.402 -9.973 -7.417 1.00 98.31 69 B 1 ATOM 1494 C CA . LYS B 2 69 ? 13.757 -11.283 -7.983 1.00 98.32 69 B 1 ATOM 1495 C C . LYS B 2 69 ? 12.660 -12.314 -7.718 1.00 98.44 69 B 1 ATOM 1496 O O . LYS B 2 69 ? 12.282 -13.052 -8.633 1.00 98.21 69 B 1 ATOM 1497 C CB . LYS B 2 69 ? 15.083 -11.779 -7.401 1.00 98.05 69 B 1 ATOM 1498 C CG . LYS B 2 69 ? 16.295 -10.979 -7.896 1.00 87.43 69 B 1 ATOM 1499 C CD . LYS B 2 69 ? 17.542 -11.445 -7.139 1.00 84.24 69 B 1 ATOM 1500 C CE . LYS B 2 69 ? 18.753 -10.594 -7.510 1.00 72.09 69 B 1 ATOM 1501 N NZ . LYS B 2 69 ? 19.910 -10.917 -6.633 1.00 64.92 69 B 1 ATOM 1502 N N . ALA B 2 70 ? 12.137 -12.337 -6.505 1.00 98.49 70 B 1 ATOM 1503 C CA . ALA B 2 70 ? 11.067 -13.238 -6.098 1.00 98.55 70 B 1 ATOM 1504 C C . ALA B 2 70 ? 9.756 -12.941 -6.842 1.00 98.60 70 B 1 ATOM 1505 O O . ALA B 2 70 ? 9.110 -13.873 -7.324 1.00 98.45 70 B 1 ATOM 1506 C CB . ALA B 2 70 ? 10.908 -13.140 -4.579 1.00 98.41 70 B 1 ATOM 1507 N N . TRP B 2 71 ? 9.408 -11.652 -7.030 1.00 98.67 71 B 1 ATOM 1508 C CA . TRP B 2 71 ? 8.268 -11.247 -7.861 1.00 98.64 71 B 1 ATOM 1509 C C . TRP B 2 71 ? 8.416 -11.765 -9.294 1.00 98.65 71 B 1 ATOM 1510 O O . TRP B 2 71 ? 7.547 -12.477 -9.786 1.00 98.44 71 B 1 ATOM 1511 C CB . TRP B 2 71 ? 8.118 -9.727 -7.862 1.00 98.43 71 B 1 ATOM 1512 C CG . TRP B 2 71 ? 6.996 -9.246 -8.743 1.00 98.44 71 B 1 ATOM 1513 C CD1 . TRP B 2 71 ? 7.029 -9.169 -10.094 1.00 97.85 71 B 1 ATOM 1514 C CD2 . TRP B 2 71 ? 5.645 -8.851 -8.349 1.00 98.17 71 B 1 ATOM 1515 N NE1 . TRP B 2 71 ? 5.784 -8.754 -10.570 1.00 97.61 71 B 1 ATOM 1516 C CE2 . TRP B 2 71 ? 4.910 -8.554 -9.531 1.00 97.82 71 B 1 ATOM 1517 C CE3 . TRP B 2 71 ? 4.981 -8.723 -7.111 1.00 97.85 71 B 1 ATOM 1518 C CZ2 . TRP B 2 71 ? 3.554 -8.152 -9.499 1.00 97.51 71 B 1 ATOM 1519 C CZ3 . TRP B 2 71 ? 3.633 -8.315 -7.076 1.00 97.21 71 B 1 ATOM 1520 C CH2 . TRP B 2 71 ? 2.928 -8.041 -8.258 1.00 97.20 71 B 1 ATOM 1521 N N . ASN B 2 72 ? 9.543 -11.465 -9.954 1.00 98.30 72 B 1 ATOM 1522 C CA . ASN B 2 72 ? 9.778 -11.879 -11.341 1.00 98.14 72 B 1 ATOM 1523 C C . ASN B 2 72 ? 9.789 -13.409 -11.504 1.00 98.24 72 B 1 ATOM 1524 O O . ASN B 2 72 ? 9.375 -13.936 -12.538 1.00 97.98 72 B 1 ATOM 1525 C CB . ASN B 2 72 ? 11.114 -11.278 -11.811 1.00 97.85 72 B 1 ATOM 1526 C CG . ASN B 2 72 ? 11.059 -9.770 -12.008 1.00 96.85 72 B 1 ATOM 1527 O OD1 . ASN B 2 72 ? 10.025 -9.177 -12.236 1.00 91.94 72 B 1 ATOM 1528 N ND2 . ASN B 2 72 ? 12.192 -9.103 -11.966 1.00 91.13 72 B 1 ATOM 1529 N N . TRP B 2 73 ? 10.265 -14.135 -10.496 1.00 98.33 73 B 1 ATOM 1530 C CA . TRP B 2 73 ? 10.161 -15.592 -10.461 1.00 98.36 73 B 1 ATOM 1531 C C . TRP B 2 73 ? 8.701 -16.046 -10.339 1.00 98.44 73 B 1 ATOM 1532 O O . TRP B 2 73 ? 8.283 -16.934 -11.082 1.00 98.25 73 B 1 ATOM 1533 C CB . TRP B 2 73 ? 11.018 -16.144 -9.321 1.00 98.04 73 B 1 ATOM 1534 C CG . TRP B 2 73 ? 10.818 -17.609 -9.068 1.00 95.79 73 B 1 ATOM 1535 C CD1 . TRP B 2 73 ? 11.454 -18.618 -9.710 1.00 91.06 73 B 1 ATOM 1536 C CD2 . TRP B 2 73 ? 9.893 -18.241 -8.127 1.00 95.81 73 B 1 ATOM 1537 N NE1 . TRP B 2 73 ? 10.993 -19.841 -9.229 1.00 89.31 73 B 1 ATOM 1538 C CE2 . TRP B 2 73 ? 10.037 -19.645 -8.256 1.00 93.54 73 B 1 ATOM 1539 C CE3 . TRP B 2 73 ? 8.962 -17.748 -7.186 1.00 90.22 73 B 1 ATOM 1540 C CZ2 . TRP B 2 73 ? 9.280 -20.552 -7.474 1.00 91.31 73 B 1 ATOM 1541 C CZ3 . TRP B 2 73 ? 8.209 -18.648 -6.412 1.00 89.90 73 B 1 ATOM 1542 C CH2 . TRP B 2 73 ? 8.369 -20.035 -6.555 1.00 89.46 73 B 1 ATOM 1543 N N . ALA B 2 74 ? 7.915 -15.425 -9.466 1.00 98.46 74 B 1 ATOM 1544 C CA . ALA B 2 74 ? 6.509 -15.766 -9.261 1.00 98.36 74 B 1 ATOM 1545 C C . ALA B 2 74 ? 5.656 -15.485 -10.509 1.00 98.22 74 B 1 ATOM 1546 O O . ALA B 2 74 ? 4.853 -16.340 -10.884 1.00 97.84 74 B 1 ATOM 1547 C CB . ALA B 2 74 ? 5.994 -15.027 -8.023 1.00 98.28 74 B 1 ATOM 1548 N N . GLU B 2 75 ? 5.885 -14.358 -11.210 1.00 98.39 75 B 1 ATOM 1549 C CA . GLU B 2 75 ? 5.244 -14.071 -12.506 1.00 98.19 75 B 1 ATOM 1550 C C . GLU B 2 75 ? 5.496 -15.204 -13.514 1.00 97.97 75 B 1 ATOM 1551 O O . GLU B 2 75 ? 4.555 -15.775 -14.063 1.00 97.21 75 B 1 ATOM 1552 C CB . GLU B 2 75 ? 5.758 -12.744 -13.109 1.00 97.61 75 B 1 ATOM 1553 C CG . GLU B 2 75 ? 5.188 -11.474 -12.455 1.00 95.07 75 B 1 ATOM 1554 C CD . GLU B 2 75 ? 5.615 -10.174 -13.184 1.00 95.68 75 B 1 ATOM 1555 O OE1 . GLU B 2 75 ? 4.902 -9.155 -13.085 1.00 91.45 75 B 1 ATOM 1556 O OE2 . GLU B 2 75 ? 6.691 -10.138 -13.828 1.00 92.51 75 B 1 ATOM 1557 N N . ARG B 2 76 ? 6.767 -15.603 -13.705 1.00 98.27 76 B 1 ATOM 1558 C CA . ARG B 2 76 ? 7.114 -16.707 -14.615 1.00 98.03 76 B 1 ATOM 1559 C C . ARG B 2 76 ? 6.493 -18.038 -14.190 1.00 97.95 76 B 1 ATOM 1560 O O . ARG B 2 76 ? 6.020 -18.791 -15.033 1.00 96.96 76 B 1 ATOM 1561 C CB . ARG B 2 76 ? 8.636 -16.869 -14.704 1.00 97.44 76 B 1 ATOM 1562 C CG . ARG B 2 76 ? 9.295 -15.724 -15.490 1.00 90.54 76 B 1 ATOM 1563 C CD . ARG B 2 76 ? 10.790 -15.989 -15.698 1.00 87.65 76 B 1 ATOM 1564 N NE . ARG B 2 76 ? 11.535 -16.031 -14.421 1.00 78.29 76 B 1 ATOM 1565 C CZ . ARG B 2 76 ? 12.453 -15.175 -13.996 1.00 70.93 76 B 1 ATOM 1566 N NH1 . ARG B 2 76 ? 12.814 -14.148 -14.714 1.00 63.73 76 B 1 ATOM 1567 N NH2 . ARG B 2 76 ? 13.032 -15.341 -12.843 1.00 63.89 76 B 1 ATOM 1568 N N . LYS B 2 77 ? 6.498 -18.317 -12.886 1.00 98.00 77 B 1 ATOM 1569 C CA . LYS B 2 77 ? 5.972 -19.575 -12.350 1.00 97.78 77 B 1 ATOM 1570 C C . LYS B 2 77 ? 4.457 -19.701 -12.513 1.00 97.69 77 B 1 ATOM 1571 O O . LYS B 2 77 ? 3.961 -20.817 -12.666 1.00 96.49 77 B 1 ATOM 1572 C CB . LYS B 2 77 ? 6.395 -19.707 -10.881 1.00 97.17 77 B 1 ATOM 1573 C CG . LYS B 2 77 ? 6.082 -21.081 -10.248 1.00 88.82 77 B 1 ATOM 1574 C CD . LYS B 2 77 ? 6.827 -22.227 -10.946 1.00 83.98 77 B 1 ATOM 1575 C CE . LYS B 2 77 ? 6.531 -23.555 -10.241 1.00 78.75 77 B 1 ATOM 1576 N NZ . LYS B 2 77 ? 7.186 -24.696 -10.930 1.00 69.86 77 B 1 ATOM 1577 N N . LEU B 2 78 ? 3.745 -18.571 -12.471 1.00 97.67 78 B 1 ATOM 1578 C CA . LEU B 2 78 ? 2.290 -18.496 -12.625 1.00 97.26 78 B 1 ATOM 1579 C C . LEU B 2 78 ? 1.849 -18.220 -14.073 1.00 97.05 78 B 1 ATOM 1580 O O . LEU B 2 78 ? 0.660 -18.318 -14.356 1.00 95.46 78 B 1 ATOM 1581 C CB . LEU B 2 78 ? 1.743 -17.436 -11.652 1.00 96.85 78 B 1 ATOM 1582 C CG . LEU B 2 78 ? 1.911 -17.799 -10.161 1.00 96.26 78 B 1 ATOM 1583 C CD1 . LEU B 2 78 ? 1.540 -16.606 -9.286 1.00 94.44 78 B 1 ATOM 1584 C CD2 . LEU B 2 78 ? 1.025 -18.980 -9.757 1.00 94.18 78 B 1 ATOM 1585 N N . GLY B 2 79 ? 2.786 -17.878 -14.981 1.00 97.47 79 B 1 ATOM 1586 C CA . GLY B 2 79 ? 2.456 -17.480 -16.355 1.00 97.20 79 B 1 ATOM 1587 C C . GLY B 2 79 ? 1.718 -16.139 -16.429 1.00 97.20 79 B 1 ATOM 1588 O O . GLY B 2 79 ? 0.898 -15.938 -17.319 1.00 95.22 79 B 1 ATOM 1589 N N . LEU B 2 80 ? 1.986 -15.236 -15.472 1.00 97.12 80 B 1 ATOM 1590 C CA . LEU B 2 80 ? 1.354 -13.922 -15.373 1.00 96.74 80 B 1 ATOM 1591 C C . LEU B 2 80 ? 2.399 -12.833 -15.607 1.00 96.80 80 B 1 ATOM 1592 O O . LEU B 2 80 ? 3.519 -12.917 -15.102 1.00 94.89 80 B 1 ATOM 1593 C CB . LEU B 2 80 ? 0.687 -13.762 -13.996 1.00 95.72 80 B 1 ATOM 1594 C CG . LEU B 2 80 ? -0.475 -14.741 -13.717 1.00 94.89 80 B 1 ATOM 1595 C CD1 . LEU B 2 80 ? -0.942 -14.589 -12.269 1.00 92.69 80 B 1 ATOM 1596 C CD2 . LEU B 2 80 ? -1.671 -14.502 -14.642 1.00 92.72 80 B 1 ATOM 1597 N N . HIS B 2 81 ? 2.028 -11.779 -16.350 1.00 97.32 81 B 1 ATOM 1598 C CA . HIS B 2 81 ? 2.890 -10.624 -16.604 1.00 97.24 81 B 1 ATOM 1599 C C . HIS B 2 81 ? 2.091 -9.335 -16.446 1.00 97.33 81 B 1 ATOM 1600 O O . HIS B 2 81 ? 0.924 -9.277 -16.828 1.00 95.37 81 B 1 ATOM 1601 C CB . HIS B 2 81 ? 3.525 -10.739 -17.994 1.00 95.89 81 B 1 ATOM 1602 C CG . HIS B 2 81 ? 4.433 -11.934 -18.120 1.00 90.66 81 B 1 ATOM 1603 N ND1 . HIS B 2 81 ? 5.590 -12.151 -17.403 1.00 77.26 81 B 1 ATOM 1604 C CD2 . HIS B 2 81 ? 4.251 -13.056 -18.901 1.00 77.31 81 B 1 ATOM 1605 C CE1 . HIS B 2 81 ? 6.080 -13.356 -17.741 1.00 76.23 81 B 1 ATOM 1606 N NE2 . HIS B 2 81 ? 5.299 -13.932 -18.656 1.00 77.47 81 B 1 ATOM 1607 N N . PHE B 2 82 ? 2.721 -8.290 -15.877 1.00 97.68 82 B 1 ATOM 1608 C CA . PHE B 2 82 ? 2.065 -7.022 -15.573 1.00 97.57 82 B 1 ATOM 1609 C C . PHE B 2 82 ? 2.874 -5.826 -16.067 1.00 97.30 82 B 1 ATOM 1610 O O . PHE B 2 82 ? 4.086 -5.734 -15.841 1.00 95.77 82 B 1 ATOM 1611 C CB . PHE B 2 82 ? 1.802 -6.906 -14.070 1.00 97.19 82 B 1 ATOM 1612 C CG . PHE B 2 82 ? 1.001 -8.047 -13.482 1.00 97.58 82 B 1 ATOM 1613 C CD1 . PHE B 2 82 ? -0.376 -8.160 -13.745 1.00 96.20 82 B 1 ATOM 1614 C CD2 . PHE B 2 82 ? 1.636 -9.012 -12.683 1.00 96.25 82 B 1 ATOM 1615 C CE1 . PHE B 2 82 ? -1.113 -9.231 -13.219 1.00 95.30 82 B 1 ATOM 1616 C CE2 . PHE B 2 82 ? 0.904 -10.084 -12.152 1.00 95.49 82 B 1 ATOM 1617 C CZ . PHE B 2 82 ? -0.473 -10.194 -12.422 1.00 95.95 82 B 1 ATOM 1618 N N . ASN B 2 83 ? 2.188 -4.842 -16.646 1.00 96.93 83 B 1 ATOM 1619 C CA . ASN B 2 83 ? 2.721 -3.535 -17.034 1.00 96.34 83 B 1 ATOM 1620 C C . ASN B 2 83 ? 2.776 -2.589 -15.826 1.00 96.54 83 B 1 ATOM 1621 O O . ASN B 2 83 ? 2.061 -1.586 -15.743 1.00 94.17 83 B 1 ATOM 1622 C CB . ASN B 2 83 ? 1.890 -2.982 -18.211 1.00 94.43 83 B 1 ATOM 1623 C CG . ASN B 2 83 ? 2.190 -3.699 -19.515 1.00 86.17 83 B 1 ATOM 1624 O OD1 . ASN B 2 83 ? 3.297 -4.142 -19.756 1.00 78.74 83 B 1 ATOM 1625 N ND2 . ASN B 2 83 ? 1.220 -3.811 -20.397 1.00 76.54 83 B 1 ATOM 1626 N N . ILE B 2 84 ? 3.628 -2.917 -14.850 1.00 97.47 84 B 1 ATOM 1627 C CA . ILE B 2 84 ? 3.844 -2.122 -13.636 1.00 97.55 84 B 1 ATOM 1628 C C . ILE B 2 84 ? 5.339 -1.893 -13.389 1.00 97.53 84 B 1 ATOM 1629 O O . ILE B 2 84 ? 6.192 -2.645 -13.862 1.00 97.05 84 B 1 ATOM 1630 C CB . ILE B 2 84 ? 3.139 -2.743 -12.408 1.00 97.42 84 B 1 ATOM 1631 C CG1 . ILE B 2 84 ? 3.714 -4.129 -12.041 1.00 96.54 84 B 1 ATOM 1632 C CG2 . ILE B 2 84 ? 1.619 -2.797 -12.644 1.00 95.21 84 B 1 ATOM 1633 C CD1 . ILE B 2 84 ? 3.143 -4.718 -10.742 1.00 96.09 84 B 1 ATOM 1634 N N . SER B 2 85 ? 5.663 -0.832 -12.622 1.00 96.89 85 B 1 ATOM 1635 C CA . SER B 2 85 ? 7.047 -0.491 -12.290 1.00 96.38 85 B 1 ATOM 1636 C C . SER B 2 85 ? 7.671 -1.493 -11.309 1.00 96.88 85 B 1 ATOM 1637 O O . SER B 2 85 ? 6.981 -2.120 -10.504 1.00 96.79 85 B 1 ATOM 1638 C CB . SER B 2 85 ? 7.131 0.933 -11.727 1.00 95.13 85 B 1 ATOM 1639 O OG . SER B 2 85 ? 6.479 1.031 -10.477 1.00 91.90 85 B 1 ATOM 1640 N N . ASP B 2 86 ? 9.009 -1.562 -11.318 1.00 96.42 86 B 1 ATOM 1641 C CA . ASP B 2 86 ? 9.762 -2.379 -10.356 1.00 96.73 86 B 1 ATOM 1642 C C . ASP B 2 86 ? 9.540 -1.925 -8.903 1.00 97.01 86 B 1 ATOM 1643 O O . ASP B 2 86 ? 9.473 -2.765 -8.006 1.00 96.69 86 B 1 ATOM 1644 C CB . ASP B 2 86 ? 11.256 -2.336 -10.716 1.00 96.42 86 B 1 ATOM 1645 C CG . ASP B 2 86 ? 11.605 -3.116 -11.987 1.00 95.55 86 B 1 ATOM 1646 O OD1 . ASP B 2 86 ? 10.757 -3.910 -12.463 1.00 93.21 86 B 1 ATOM 1647 O OD2 . ASP B 2 86 ? 12.748 -2.937 -12.462 1.00 93.11 86 B 1 ATOM 1648 N N . ASP B 2 87 ? 9.335 -0.619 -8.663 1.00 96.32 87 B 1 ATOM 1649 C CA . ASP B 2 87 ? 8.938 -0.082 -7.346 1.00 95.63 87 B 1 ATOM 1650 C C . ASP B 2 87 ? 7.599 -0.674 -6.879 1.00 96.03 87 B 1 ATOM 1651 O O . ASP B 2 87 ? 7.441 -1.082 -5.722 1.00 95.45 87 B 1 ATOM 1652 C CB . ASP B 2 87 ? 8.841 1.454 -7.413 1.00 93.97 87 B 1 ATOM 1653 C CG . ASP B 2 87 ? 8.337 2.063 -6.091 1.00 81.13 87 B 1 ATOM 1654 O OD1 . ASP B 2 87 ? 9.044 1.925 -5.075 1.00 71.16 87 B 1 ATOM 1655 O OD2 . ASP B 2 87 ? 7.213 2.626 -6.075 1.00 71.93 87 B 1 ATOM 1656 N N . GLU B 2 88 ? 6.632 -0.789 -7.783 1.00 97.02 88 B 1 ATOM 1657 C CA . GLU B 2 88 ? 5.327 -1.363 -7.458 1.00 97.26 88 B 1 ATOM 1658 C C . GLU B 2 88 ? 5.419 -2.871 -7.161 1.00 97.50 88 B 1 ATOM 1659 O O . GLU B 2 88 ? 4.791 -3.350 -6.205 1.00 97.21 88 B 1 ATOM 1660 C CB . GLU B 2 88 ? 4.325 -1.039 -8.578 1.00 97.08 88 B 1 ATOM 1661 C CG . GLU B 2 88 ? 2.912 -1.488 -8.188 1.00 96.00 88 B 1 ATOM 1662 C CD . GLU B 2 88 ? 1.795 -0.950 -9.085 1.00 96.58 88 B 1 ATOM 1663 O OE1 . GLU B 2 88 ? 0.621 -1.262 -8.784 1.00 94.04 88 B 1 ATOM 1664 O OE2 . GLU B 2 88 ? 2.029 -0.186 -10.037 1.00 94.81 88 B 1 ATOM 1665 N N . LYS B 2 89 ? 6.240 -3.604 -7.922 1.00 97.69 89 B 1 ATOM 1666 C CA . LYS B 2 89 ? 6.531 -5.028 -7.694 1.00 97.79 89 B 1 ATOM 1667 C C . LYS B 2 89 ? 7.192 -5.239 -6.331 1.00 97.56 89 B 1 ATOM 1668 O O . LYS B 2 89 ? 6.672 -5.986 -5.494 1.00 97.28 89 B 1 ATOM 1669 C CB . LYS B 2 89 ? 7.419 -5.586 -8.828 1.00 97.89 89 B 1 ATOM 1670 C CG . LYS B 2 89 ? 6.721 -5.562 -10.197 1.00 97.47 89 B 1 ATOM 1671 C CD . LYS B 2 89 ? 7.594 -6.162 -11.309 1.00 96.58 89 B 1 ATOM 1672 C CE . LYS B 2 89 ? 6.810 -6.139 -12.628 1.00 94.80 89 B 1 ATOM 1673 N NZ . LYS B 2 89 ? 7.407 -7.006 -13.676 1.00 90.88 89 B 1 ATOM 1674 N N . PHE B 2 90 ? 8.278 -4.497 -6.071 1.00 97.58 90 B 1 ATOM 1675 C CA . PHE B 2 90 ? 9.004 -4.523 -4.801 1.00 97.55 90 B 1 ATOM 1676 C C . PHE B 2 90 ? 8.086 -4.217 -3.611 1.00 97.36 90 B 1 ATOM 1677 O O . PHE B 2 90 ? 8.029 -4.982 -2.649 1.00 97.11 90 B 1 ATOM 1678 C CB . PHE B 2 90 ? 10.146 -3.506 -4.874 1.00 97.45 90 B 1 ATOM 1679 C CG . PHE B 2 90 ? 10.871 -3.311 -3.557 1.00 97.46 90 B 1 ATOM 1680 C CD1 . PHE B 2 90 ? 10.536 -2.239 -2.706 1.00 96.78 90 B 1 ATOM 1681 C CD2 . PHE B 2 90 ? 11.876 -4.213 -3.174 1.00 96.91 90 B 1 ATOM 1682 C CE1 . PHE B 2 90 ? 11.215 -2.065 -1.486 1.00 96.35 90 B 1 ATOM 1683 C CE2 . PHE B 2 90 ? 12.558 -4.041 -1.959 1.00 96.21 90 B 1 ATOM 1684 C CZ . PHE B 2 90 ? 12.231 -2.967 -1.116 1.00 96.34 90 B 1 ATOM 1685 N N . THR B 2 91 ? 7.322 -3.122 -3.697 1.00 96.50 91 B 1 ATOM 1686 C CA . THR B 2 91 ? 6.408 -2.707 -2.623 1.00 95.66 91 B 1 ATOM 1687 C C . THR B 2 91 ? 5.333 -3.760 -2.358 1.00 95.91 91 B 1 ATOM 1688 O O . THR B 2 91 ? 5.002 -4.009 -1.200 1.00 95.15 91 B 1 ATOM 1689 C CB . THR B 2 91 ? 5.748 -1.357 -2.950 1.00 94.16 91 B 1 ATOM 1690 O OG1 . THR B 2 91 ? 6.726 -0.347 -3.065 1.00 84.44 91 B 1 ATOM 1691 C CG2 . THR B 2 91 ? 4.808 -0.879 -1.843 1.00 81.53 91 B 1 ATOM 1692 N N . SER B 2 92 ? 4.815 -4.409 -3.397 1.00 96.86 92 B 1 ATOM 1693 C CA . SER B 2 92 ? 3.787 -5.449 -3.254 1.00 96.79 92 B 1 ATOM 1694 C C . SER B 2 92 ? 4.314 -6.673 -2.492 1.00 96.72 92 B 1 ATOM 1695 O O . SER B 2 92 ? 3.647 -7.154 -1.578 1.00 96.14 92 B 1 ATOM 1696 C CB . SER B 2 92 ? 3.251 -5.884 -4.625 1.00 96.71 92 B 1 ATOM 1697 O OG . SER B 2 92 ? 2.716 -4.769 -5.314 1.00 89.62 92 B 1 ATOM 1698 N N . VAL B 2 93 ? 5.530 -7.132 -2.805 1.00 97.24 93 B 1 ATOM 1699 C CA . VAL B 2 93 ? 6.160 -8.244 -2.068 1.00 97.57 93 B 1 ATOM 1700 C C . VAL B 2 93 ? 6.465 -7.834 -0.629 1.00 97.00 93 B 1 ATOM 1701 O O . VAL B 2 93 ? 6.126 -8.566 0.301 1.00 96.49 93 B 1 ATOM 1702 C CB . VAL B 2 93 ? 7.433 -8.746 -2.771 1.00 97.93 93 B 1 ATOM 1703 C CG1 . VAL B 2 93 ? 8.071 -9.911 -1.999 1.00 97.36 93 B 1 ATOM 1704 C CG2 . VAL B 2 93 ? 7.115 -9.250 -4.184 1.00 97.06 93 B 1 ATOM 1705 N N . LYS B 2 94 ? 7.030 -6.639 -0.428 1.00 96.73 94 B 1 ATOM 1706 C CA . LYS B 2 94 ? 7.372 -6.108 0.897 1.00 95.88 94 B 1 ATOM 1707 C C . LYS B 2 94 ? 6.147 -5.897 1.793 1.00 95.51 94 B 1 ATOM 1708 O O . LYS B 2 94 ? 6.249 -6.013 3.013 1.00 94.37 94 B 1 ATOM 1709 C CB . LYS B 2 94 ? 8.154 -4.803 0.698 1.00 94.96 94 B 1 ATOM 1710 C CG . LYS B 2 94 ? 8.768 -4.259 1.996 1.00 87.90 94 B 1 ATOM 1711 C CD . LYS B 2 94 ? 9.635 -3.040 1.673 1.00 81.87 94 B 1 ATOM 1712 C CE . LYS B 2 94 ? 10.396 -2.538 2.903 1.00 76.52 94 B 1 ATOM 1713 N NZ . LYS B 2 94 ? 11.392 -1.502 2.525 1.00 68.29 94 B 1 ATOM 1714 N N . ASP B 2 95 ? 5.001 -5.572 1.231 1.00 95.28 95 B 1 ATOM 1715 C CA . ASP B 2 95 ? 3.756 -5.501 1.997 1.00 94.18 95 B 1 ATOM 1716 C C . ASP B 2 95 ? 3.287 -6.902 2.423 1.00 94.26 95 B 1 ATOM 1717 O O . ASP B 2 95 ? 2.915 -7.081 3.586 1.00 92.66 95 B 1 ATOM 1718 C CB . ASP B 2 95 ? 2.679 -4.713 1.228 1.00 92.55 95 B 1 ATOM 1719 C CG . ASP B 2 95 ? 2.756 -3.184 1.427 1.00 87.59 95 B 1 ATOM 1720 O OD1 . ASP B 2 95 ? 3.405 -2.697 2.398 1.00 83.52 95 B 1 ATOM 1721 O OD2 . ASP B 2 95 ? 2.042 -2.463 0.694 1.00 83.01 95 B 1 ATOM 1722 N N . GLU B 2 96 ? 3.404 -7.910 1.559 1.00 94.49 96 B 1 ATOM 1723 C CA . GLU B 2 96 ? 3.074 -9.292 1.934 1.00 94.54 96 B 1 ATOM 1724 C C . GLU B 2 96 ? 4.033 -9.869 2.990 1.00 94.45 96 B 1 ATOM 1725 O O . GLU B 2 96 ? 3.570 -10.584 3.881 1.00 93.12 96 B 1 ATOM 1726 C CB . GLU B 2 96 ? 3.001 -10.199 0.697 1.00 94.37 96 B 1 ATOM 1727 C CG . GLU B 2 96 ? 1.737 -9.958 -0.152 1.00 91.48 96 B 1 ATOM 1728 C CD . GLU B 2 96 ? 0.421 -10.223 0.605 1.00 92.20 96 B 1 ATOM 1729 O OE1 . GLU B 2 96 ? -0.555 -9.467 0.407 1.00 86.74 96 B 1 ATOM 1730 O OE2 . GLU B 2 96 ? 0.363 -11.173 1.416 1.00 87.92 96 B 1 ATOM 1731 N N . THR B 2 97 ? 5.329 -9.514 2.983 1.00 95.49 97 B 1 ATOM 1732 C CA . THR B 2 97 ? 6.258 -9.940 4.052 1.00 95.03 97 B 1 ATOM 1733 C C . THR B 2 97 ? 5.901 -9.334 5.410 1.00 94.31 97 B 1 ATOM 1734 O O . THR B 2 97 ? 6.123 -9.961 6.442 1.00 92.79 97 B 1 ATOM 1735 C CB . THR B 2 97 ? 7.731 -9.621 3.750 1.00 95.02 97 B 1 ATOM 1736 O OG1 . THR B 2 97 ? 7.961 -8.242 3.608 1.00 87.93 97 B 1 ATOM 1737 C CG2 . THR B 2 97 ? 8.243 -10.310 2.482 1.00 86.19 97 B 1 ATOM 1738 N N . LYS B 2 98 ? 5.300 -8.136 5.431 1.00 93.83 98 B 1 ATOM 1739 C CA . LYS B 2 98 ? 4.812 -7.497 6.665 1.00 92.48 98 B 1 ATOM 1740 C C . LYS B 2 98 ? 3.477 -8.068 7.149 1.00 91.81 98 B 1 ATOM 1741 O O . LYS B 2 98 ? 3.153 -7.912 8.320 1.00 88.97 98 B 1 ATOM 1742 C CB . LYS B 2 98 ? 4.639 -5.993 6.443 1.00 91.17 98 B 1 ATOM 1743 C CG . LYS B 2 98 ? 5.968 -5.251 6.247 1.00 88.09 98 B 1 ATOM 1744 C CD . LYS B 2 98 ? 5.652 -3.820 5.810 1.00 84.78 98 B 1 ATOM 1745 C CE . LYS B 2 98 ? 6.938 -3.065 5.492 1.00 78.48 98 B 1 ATOM 1746 N NZ . LYS B 2 98 ? 6.630 -1.762 4.851 1.00 70.36 98 B 1 ATOM 1747 N N . ILE B 2 99 ? 2.689 -8.653 6.260 1.00 91.87 99 B 1 ATOM 1748 C CA . ILE B 2 99 ? 1.391 -9.251 6.587 1.00 91.34 99 B 1 ATOM 1749 C C . ILE B 2 99 ? 1.568 -10.712 7.017 1.00 91.38 99 B 1 ATOM 1750 O O . ILE B 2 99 ? 0.911 -11.174 7.948 1.00 89.07 99 B 1 ATOM 1751 C CB . ILE B 2 99 ? 0.439 -9.112 5.378 1.00 90.27 99 B 1 ATOM 1752 C CG1 . ILE B 2 99 ? 0.080 -7.623 5.128 1.00 87.81 99 B 1 ATOM 1753 C CG2 . ILE B 2 99 ? -0.853 -9.929 5.586 1.00 87.29 99 B 1 ATOM 1754 C CD1 . ILE B 2 99 ? -0.512 -7.362 3.738 1.00 83.96 99 B 1 ATOM 1755 N N . ASN B 2 100 ? 2.465 -11.437 6.345 1.00 92.18 100 B 1 ATOM 1756 C CA . ASN B 2 100 ? 2.671 -12.869 6.521 1.00 92.02 100 B 1 ATOM 1757 C C . ASN B 2 100 ? 3.999 -13.137 7.244 1.00 91.74 100 B 1 ATOM 1758 O O . ASN B 2 100 ? 4.962 -13.623 6.642 1.00 88.11 100 B 1 ATOM 1759 C CB . ASN B 2 100 ? 2.592 -13.576 5.160 1.00 91.34 100 B 1 ATOM 1760 C CG . ASN B 2 100 ? 1.300 -13.329 4.402 1.00 90.04 100 B 1 ATOM 1761 O OD1 . ASN B 2 100 ? 0.289 -13.988 4.584 1.00 81.81 100 B 1 ATOM 1762 N ND2 . ASN B 2 100 ? 1.325 -12.399 3.469 1.00 81.63 100 B 1 ATOM 1763 N N . PHE B 2 101 ? 4.061 -12.813 8.546 1.00 90.45 101 B 1 ATOM 1764 C CA . PHE B 2 101 ? 5.239 -13.090 9.363 1.00 89.06 101 B 1 ATOM 1765 C C . PHE B 2 101 ? 5.612 -14.578 9.318 1.00 88.98 101 B 1 ATOM 1766 O O . PHE B 2 101 ? 4.754 -15.456 9.378 1.00 81.02 101 B 1 ATOM 1767 C CB . PHE B 2 101 ? 5.006 -12.631 10.808 1.00 84.97 101 B 1 ATOM 1768 C CG . PHE B 2 101 ? 4.977 -11.126 10.966 1.00 76.48 101 B 1 ATOM 1769 C CD1 . PHE B 2 101 ? 6.182 -10.405 11.059 1.00 70.51 101 B 1 ATOM 1770 C CD2 . PHE B 2 101 ? 3.753 -10.437 11.016 1.00 69.02 101 B 1 ATOM 1771 C CE1 . PHE B 2 101 ? 6.164 -9.005 11.200 1.00 61.47 101 B 1 ATOM 1772 C CE2 . PHE B 2 101 ? 3.729 -9.038 11.151 1.00 61.62 101 B 1 ATOM 1773 C CZ . PHE B 2 101 ? 4.938 -8.320 11.243 1.00 59.46 101 B 1 ATOM 1774 N N . GLY B 2 102 ? 6.921 -14.852 9.193 1.00 90.00 102 B 1 ATOM 1775 C CA . GLY B 2 102 ? 7.463 -16.213 9.148 1.00 91.76 102 B 1 ATOM 1776 C C . GLY B 2 102 ? 7.449 -16.877 7.767 1.00 94.04 102 B 1 ATOM 1777 O O . GLY B 2 102 ? 8.100 -17.906 7.589 1.00 90.77 102 B 1 ATOM 1778 N N . LEU B 2 103 ? 6.771 -16.301 6.764 1.00 94.41 103 B 1 ATOM 1779 C CA . LEU B 2 103 ? 6.871 -16.795 5.392 1.00 95.71 103 B 1 ATOM 1780 C C . LEU B 2 103 ? 8.125 -16.260 4.694 1.00 96.51 103 B 1 ATOM 1781 O O . LEU B 2 103 ? 8.512 -15.107 4.862 1.00 95.33 103 B 1 ATOM 1782 C CB . LEU B 2 103 ? 5.608 -16.469 4.581 1.00 93.91 103 B 1 ATOM 1783 C CG . LEU B 2 103 ? 4.330 -17.183 5.050 1.00 86.84 103 B 1 ATOM 1784 C CD1 . LEU B 2 103 ? 3.212 -16.879 4.054 1.00 83.45 103 B 1 ATOM 1785 C CD2 . LEU B 2 103 ? 4.477 -18.704 5.113 1.00 84.58 103 B 1 ATOM 1786 N N . SER B 2 104 ? 8.726 -17.093 3.832 1.00 97.08 104 B 1 ATOM 1787 C CA . SER B 2 104 ? 9.836 -16.678 2.979 1.00 97.46 104 B 1 ATOM 1788 C C . SER B 2 104 ? 9.405 -15.584 1.995 1.00 97.85 104 B 1 ATOM 1789 O O . SER B 2 104 ? 8.241 -15.511 1.589 1.00 97.49 104 B 1 ATOM 1790 C CB . SER B 2 104 ? 10.430 -17.877 2.235 1.00 96.61 104 B 1 ATOM 1791 O OG . SER B 2 104 ? 9.541 -18.364 1.247 1.00 93.67 104 B 1 ATOM 1792 N N . VAL B 2 105 ? 10.369 -14.761 1.548 1.00 97.77 105 B 1 ATOM 1793 C CA . VAL B 2 105 ? 10.137 -13.730 0.520 1.00 98.02 105 B 1 ATOM 1794 C C . VAL B 2 105 ? 9.538 -14.342 -0.752 1.00 98.32 105 B 1 ATOM 1795 O O . VAL B 2 105 ? 8.632 -13.769 -1.351 1.00 98.01 105 B 1 ATOM 1796 C CB . VAL B 2 105 ? 11.451 -12.986 0.202 1.00 97.13 105 B 1 ATOM 1797 C CG1 . VAL B 2 105 ? 11.272 -11.937 -0.895 1.00 91.28 105 B 1 ATOM 1798 C CG2 . VAL B 2 105 ? 11.978 -12.263 1.449 1.00 91.75 105 B 1 ATOM 1799 N N . TRP B 2 106 ? 9.951 -15.548 -1.119 1.00 98.20 106 B 1 ATOM 1800 C CA . TRP B 2 106 ? 9.450 -16.276 -2.290 1.00 98.22 106 B 1 ATOM 1801 C C . TRP B 2 106 ? 7.982 -16.693 -2.140 1.00 98.33 106 B 1 ATOM 1802 O O . TRP B 2 106 ? 7.179 -16.516 -3.057 1.00 97.68 106 B 1 ATOM 1803 C CB . TRP B 2 106 ? 10.345 -17.497 -2.527 1.00 97.60 106 B 1 ATOM 1804 C CG . TRP B 2 106 ? 11.783 -17.156 -2.756 1.00 96.52 106 B 1 ATOM 1805 C CD1 . TRP B 2 106 ? 12.729 -17.025 -1.798 1.00 91.27 106 B 1 ATOM 1806 C CD2 . TRP B 2 106 ? 12.435 -16.829 -4.023 1.00 94.65 106 B 1 ATOM 1807 N NE1 . TRP B 2 106 ? 13.933 -16.640 -2.385 1.00 88.87 106 B 1 ATOM 1808 C CE2 . TRP B 2 106 ? 13.790 -16.506 -3.744 1.00 92.47 106 B 1 ATOM 1809 C CE3 . TRP B 2 106 ? 12.004 -16.778 -5.362 1.00 89.89 106 B 1 ATOM 1810 C CZ2 . TRP B 2 106 ? 14.692 -16.130 -4.763 1.00 90.31 106 B 1 ATOM 1811 C CZ3 . TRP B 2 106 ? 12.906 -16.406 -6.377 1.00 86.89 106 B 1 ATOM 1812 C CH2 . TRP B 2 106 ? 14.233 -16.082 -6.080 1.00 87.20 106 B 1 ATOM 1813 N N . ALA B 2 107 ? 7.593 -17.188 -0.969 1.00 98.32 107 B 1 ATOM 1814 C CA . ALA B 2 107 ? 6.195 -17.508 -0.679 1.00 98.17 107 B 1 ATOM 1815 C C . ALA B 2 107 ? 5.317 -16.242 -0.641 1.00 98.19 107 B 1 ATOM 1816 O O . ALA B 2 107 ? 4.198 -16.239 -1.163 1.00 97.76 107 B 1 ATOM 1817 C CB . ALA B 2 107 ? 6.131 -18.284 0.645 1.00 97.77 107 B 1 ATOM 1818 N N . CYS B 2 108 ? 5.857 -15.137 -0.089 1.00 98.18 108 B 1 ATOM 1819 C CA . CYS B 2 108 ? 5.202 -13.832 -0.109 1.00 98.03 108 B 1 ATOM 1820 C C . CYS B 2 108 ? 5.046 -13.289 -1.536 1.00 98.11 108 B 1 ATOM 1821 O O . CYS B 2 108 ? 3.985 -12.763 -1.860 1.00 97.84 108 B 1 ATOM 1822 C CB . CYS B 2 108 ? 5.990 -12.857 0.774 1.00 97.59 108 B 1 ATOM 1823 S SG . CYS B 2 108 ? 5.804 -13.333 2.522 1.00 96.48 108 B 1 ATOM 1824 N N . ALA B 2 109 ? 6.041 -13.462 -2.410 1.00 98.22 109 B 1 ATOM 1825 C CA . ALA B 2 109 ? 5.954 -13.067 -3.815 1.00 98.29 109 B 1 ATOM 1826 C C . ALA B 2 109 ? 4.866 -13.843 -4.573 1.00 98.17 109 B 1 ATOM 1827 O O . ALA B 2 109 ? 4.095 -13.236 -5.312 1.00 97.97 109 B 1 ATOM 1828 C CB . ALA B 2 109 ? 7.327 -13.239 -4.465 1.00 98.29 109 B 1 ATOM 1829 N N . MET B 2 110 ? 4.727 -15.151 -4.337 1.00 98.41 110 B 1 ATOM 1830 C CA . MET B 2 110 ? 3.628 -15.941 -4.914 1.00 98.16 110 B 1 ATOM 1831 C C . MET B 2 110 ? 2.252 -15.411 -4.491 1.00 97.80 110 B 1 ATOM 1832 O O . MET B 2 110 ? 1.350 -15.299 -5.322 1.00 97.03 110 B 1 ATOM 1833 C CB . MET B 2 110 ? 3.759 -17.416 -4.504 1.00 97.84 110 B 1 ATOM 1834 C CG . MET B 2 110 ? 4.902 -18.128 -5.228 1.00 93.30 110 B 1 ATOM 1835 S SD . MET B 2 110 ? 4.654 -18.340 -7.018 1.00 91.38 110 B 1 ATOM 1836 C CE . MET B 2 110 ? 3.379 -19.618 -7.049 1.00 82.82 110 B 1 ATOM 1837 N N . LYS B 2 111 ? 2.091 -15.044 -3.217 1.00 97.40 111 B 1 ATOM 1838 C CA . LYS B 2 111 ? 0.860 -14.416 -2.721 1.00 96.71 111 B 1 ATOM 1839 C C . LYS B 2 111 ? 0.640 -13.037 -3.339 1.00 96.78 111 B 1 ATOM 1840 O O . LYS B 2 111 ? -0.466 -12.743 -3.771 1.00 96.14 111 B 1 ATOM 1841 C CB . LYS B 2 111 ? 0.880 -14.303 -1.190 1.00 95.86 111 B 1 ATOM 1842 C CG . LYS B 2 111 ? 0.714 -15.656 -0.481 1.00 92.92 111 B 1 ATOM 1843 C CD . LYS B 2 111 ? 0.592 -15.420 1.029 1.00 88.76 111 B 1 ATOM 1844 C CE . LYS B 2 111 ? 0.258 -16.710 1.770 1.00 82.94 111 B 1 ATOM 1845 N NZ . LYS B 2 111 ? -0.104 -16.430 3.186 1.00 75.30 111 B 1 ATOM 1846 N N . ALA B 2 112 ? 1.691 -12.212 -3.412 1.00 97.49 112 B 1 ATOM 1847 C CA . ALA B 2 112 ? 1.623 -10.859 -3.953 1.00 97.49 112 B 1 ATOM 1848 C C . ALA B 2 112 ? 1.209 -10.851 -5.432 1.00 97.45 112 B 1 ATOM 1849 O O . ALA B 2 112 ? 0.338 -10.073 -5.812 1.00 97.19 112 B 1 ATOM 1850 C CB . ALA B 2 112 ? 2.981 -10.173 -3.747 1.00 97.43 112 B 1 ATOM 1851 N N . VAL B 2 113 ? 1.782 -11.727 -6.268 1.00 97.95 113 B 1 ATOM 1852 C CA . VAL B 2 113 ? 1.445 -11.835 -7.698 1.00 98.00 113 B 1 ATOM 1853 C C . VAL B 2 113 ? 0.006 -12.317 -7.895 1.00 97.68 113 B 1 ATOM 1854 O O . VAL B 2 113 ? -0.730 -11.701 -8.662 1.00 97.29 113 B 1 ATOM 1855 C CB . VAL B 2 113 ? 2.448 -12.735 -8.445 1.00 98.08 113 B 1 ATOM 1856 C CG1 . VAL B 2 113 ? 2.021 -13.037 -9.886 1.00 97.05 113 B 1 ATOM 1857 C CG2 . VAL B 2 113 ? 3.810 -12.038 -8.524 1.00 96.88 113 B 1 ATOM 1858 N N . LYS B 2 114 ? -0.432 -13.349 -7.167 1.00 97.22 114 B 1 ATOM 1859 C CA . LYS B 2 114 ? -1.827 -13.820 -7.218 1.00 96.75 114 B 1 ATOM 1860 C C . LYS B 2 114 ? -2.800 -12.718 -6.812 1.00 96.16 114 B 1 ATOM 1861 O O . LYS B 2 114 ? -3.722 -12.406 -7.553 1.00 95.24 114 B 1 ATOM 1862 C CB . LYS B 2 114 ? -2.024 -15.046 -6.321 1.00 96.67 114 B 1 ATOM 1863 C CG . LYS B 2 114 ? -1.375 -16.299 -6.918 1.00 92.24 114 B 1 ATOM 1864 C CD . LYS B 2 114 ? -1.564 -17.485 -5.974 1.00 90.19 114 B 1 ATOM 1865 C CE . LYS B 2 114 ? -0.907 -18.722 -6.577 1.00 83.15 114 B 1 ATOM 1866 N NZ . LYS B 2 114 ? -1.208 -19.943 -5.791 1.00 76.41 114 B 1 ATOM 1867 N N . LEU B 2 115 ? -2.540 -12.070 -5.682 1.00 96.37 115 B 1 ATOM 1868 C CA . LEU B 2 115 ? -3.370 -10.972 -5.199 1.00 95.84 115 B 1 ATOM 1869 C C . LEU B 2 115 ? -3.408 -9.807 -6.195 1.00 95.94 115 B 1 ATOM 1870 O O . LEU B 2 115 ? -4.455 -9.201 -6.391 1.00 95.07 115 B 1 ATOM 1871 C CB . LEU B 2 115 ? -2.822 -10.518 -3.843 1.00 94.99 115 B 1 ATOM 1872 C CG . LEU B 2 115 ? -3.634 -9.375 -3.206 1.00 92.69 115 B 1 ATOM 1873 C CD1 . LEU B 2 115 ? -5.009 -9.837 -2.733 1.00 90.21 115 B 1 ATOM 1874 C CD2 . LEU B 2 115 ? -2.856 -8.817 -2.017 1.00 89.89 115 B 1 ATOM 1875 N N . HIS B 2 116 ? -2.278 -9.468 -6.824 1.00 96.91 116 B 1 ATOM 1876 C CA . HIS B 2 116 ? -2.217 -8.407 -7.822 1.00 97.29 116 B 1 ATOM 1877 C C . HIS B 2 116 ? -3.063 -8.748 -9.048 1.00 97.06 116 B 1 ATOM 1878 O O . HIS B 2 116 ? -3.800 -7.886 -9.519 1.00 96.32 116 B 1 ATOM 1879 C CB . HIS B 2 116 ? -0.763 -8.134 -8.211 1.00 97.40 116 B 1 ATOM 1880 C CG . HIS B 2 116 ? -0.618 -6.897 -9.046 1.00 97.75 116 B 1 ATOM 1881 N ND1 . HIS B 2 116 ? -0.367 -5.619 -8.562 1.00 93.11 116 B 1 ATOM 1882 C CD2 . HIS B 2 116 ? -0.784 -6.799 -10.402 1.00 93.64 116 B 1 ATOM 1883 C CE1 . HIS B 2 116 ? -0.388 -4.788 -9.602 1.00 94.17 116 B 1 ATOM 1884 N NE2 . HIS B 2 116 ? -0.632 -5.469 -10.729 1.00 94.78 116 B 1 ATOM 1885 N N . ASN B 2 117 ? -3.002 -9.984 -9.524 1.00 97.00 117 B 1 ATOM 1886 C CA . ASN B 2 117 ? -3.832 -10.453 -10.630 1.00 96.77 117 B 1 ATOM 1887 C C . ASN B 2 117 ? -5.328 -10.372 -10.302 1.00 96.34 117 B 1 ATOM 1888 O O . ASN B 2 117 ? -6.115 -9.901 -11.116 1.00 95.09 117 B 1 ATOM 1889 C CB . ASN B 2 117 ? -3.414 -11.890 -10.962 1.00 96.60 117 B 1 ATOM 1890 C CG . ASN B 2 117 ? -4.141 -12.391 -12.194 1.00 95.84 117 B 1 ATOM 1891 O OD1 . ASN B 2 117 ? -3.868 -11.972 -13.299 1.00 90.41 117 B 1 ATOM 1892 N ND2 . ASN B 2 117 ? -5.077 -13.299 -12.025 1.00 90.50 117 B 1 ATOM 1893 N N . ASP B 2 118 ? -5.703 -10.768 -9.098 1.00 95.13 118 B 1 ATOM 1894 C CA . ASP B 2 118 ? -7.102 -10.799 -8.676 1.00 94.02 118 B 1 ATOM 1895 C C . ASP B 2 118 ? -7.683 -9.390 -8.461 1.00 93.75 118 B 1 ATOM 1896 O O . ASP B 2 118 ? -8.846 -9.134 -8.768 1.00 91.55 118 B 1 ATOM 1897 C CB . ASP B 2 118 ? -7.203 -11.596 -7.372 1.00 92.73 118 B 1 ATOM 1898 C CG . ASP B 2 118 ? -6.812 -13.077 -7.473 1.00 90.23 118 B 1 ATOM 1899 O OD1 . ASP B 2 118 ? -6.760 -13.627 -8.594 1.00 87.19 118 B 1 ATOM 1900 O OD2 . ASP B 2 118 ? -6.597 -13.673 -6.389 1.00 86.64 118 B 1 ATOM 1901 N N . LEU B 2 119 ? -6.869 -8.458 -7.930 1.00 94.75 119 B 1 ATOM 1902 C CA . LEU B 2 119 ? -7.312 -7.097 -7.605 1.00 94.34 119 B 1 ATOM 1903 C C . LEU B 2 119 ? -7.155 -6.107 -8.760 1.00 94.60 119 B 1 ATOM 1904 O O . LEU B 2 119 ? -7.921 -5.147 -8.847 1.00 93.05 119 B 1 ATOM 1905 C CB . LEU B 2 119 ? -6.536 -6.582 -6.385 1.00 93.59 119 B 1 ATOM 1906 C CG . LEU B 2 119 ? -6.803 -7.324 -5.063 1.00 92.15 119 B 1 ATOM 1907 C CD1 . LEU B 2 119 ? -5.963 -6.677 -3.959 1.00 89.90 119 B 1 ATOM 1908 C CD2 . LEU B 2 119 ? -8.271 -7.263 -4.639 1.00 89.49 119 B 1 ATOM 1909 N N . PHE B 2 120 ? -6.144 -6.291 -9.615 1.00 95.19 120 B 1 ATOM 1910 C CA . PHE B 2 120 ? -5.732 -5.333 -10.638 1.00 95.76 120 B 1 ATOM 1911 C C . PHE B 2 120 ? -5.549 -5.992 -12.017 1.00 96.08 120 B 1 ATOM 1912 O O . PHE B 2 120 ? -4.519 -5.774 -12.667 1.00 94.81 120 B 1 ATOM 1913 C CB . PHE B 2 120 ? -4.462 -4.592 -10.176 1.00 95.42 120 B 1 ATOM 1914 C CG . PHE B 2 120 ? -4.463 -4.096 -8.742 1.00 95.61 120 B 1 ATOM 1915 C CD1 . PHE B 2 120 ? -5.522 -3.313 -8.252 1.00 94.09 120 B 1 ATOM 1916 C CD2 . PHE B 2 120 ? -3.407 -4.439 -7.877 1.00 94.44 120 B 1 ATOM 1917 C CE1 . PHE B 2 120 ? -5.537 -2.889 -6.913 1.00 93.61 120 B 1 ATOM 1918 C CE2 . PHE B 2 120 ? -3.412 -4.013 -6.541 1.00 93.60 120 B 1 ATOM 1919 C CZ . PHE B 2 120 ? -4.483 -3.243 -6.055 1.00 94.23 120 B 1 ATOM 1920 N N . PRO B 2 121 ? -6.534 -6.779 -12.510 1.00 94.74 121 B 1 ATOM 1921 C CA . PRO B 2 121 ? -6.411 -7.499 -13.784 1.00 94.27 121 B 1 ATOM 1922 C C . PRO B 2 121 ? -6.179 -6.568 -14.977 1.00 94.82 121 B 1 ATOM 1923 O O . PRO B 2 121 ? -5.527 -6.961 -15.939 1.00 92.62 121 B 1 ATOM 1924 C CB . PRO B 2 121 ? -7.719 -8.288 -13.917 1.00 92.67 121 B 1 ATOM 1925 C CG . PRO B 2 121 ? -8.720 -7.491 -13.086 1.00 91.98 121 B 1 ATOM 1926 C CD . PRO B 2 121 ? -7.856 -6.980 -11.943 1.00 93.94 121 B 1 ATOM 1927 N N . GLN B 2 122 ? -6.609 -5.308 -14.888 1.00 95.64 122 B 1 ATOM 1928 C CA . GLN B 2 122 ? -6.395 -4.281 -15.914 1.00 95.25 122 B 1 ATOM 1929 C C . GLN B 2 122 ? -4.913 -3.920 -16.130 1.00 95.72 122 B 1 ATOM 1930 O O . GLN B 2 122 ? -4.584 -3.228 -17.091 1.00 93.83 122 B 1 ATOM 1931 C CB . GLN B 2 122 ? -7.226 -3.030 -15.579 1.00 93.71 122 B 1 ATOM 1932 C CG . GLN B 2 122 ? -6.691 -2.124 -14.444 1.00 90.57 122 B 1 ATOM 1933 C CD . GLN B 2 122 ? -6.946 -2.617 -13.017 1.00 90.27 122 B 1 ATOM 1934 O OE1 . GLN B 2 122 ? -7.357 -3.728 -12.751 1.00 84.31 122 B 1 ATOM 1935 N NE2 . GLN B 2 122 ? -6.700 -1.769 -12.041 1.00 82.11 122 B 1 ATOM 1936 N N . THR B 2 123 ? -4.016 -4.349 -15.260 1.00 95.22 123 B 1 ATOM 1937 C CA . THR B 2 123 ? -2.570 -4.125 -15.394 1.00 95.20 123 B 1 ATOM 1938 C C . THR B 2 123 ? -1.841 -5.282 -16.071 1.00 95.58 123 B 1 ATOM 1939 O O . THR B 2 123 ? -0.609 -5.237 -16.167 1.00 93.75 123 B 1 ATOM 1940 C CB . THR B 2 123 ? -1.910 -3.791 -14.052 1.00 94.68 123 B 1 ATOM 1941 O OG1 . THR B 2 123 ? -1.922 -4.877 -13.149 1.00 92.92 123 B 1 ATOM 1942 C CG2 . THR B 2 123 ? -2.603 -2.620 -13.359 1.00 92.37 123 B 1 ATOM 1943 N N . ALA B 2 124 ? -2.558 -6.315 -16.513 1.00 94.10 124 B 1 ATOM 1944 C CA . ALA B 2 124 ? -1.978 -7.429 -17.244 1.00 92.75 124 B 1 ATOM 1945 C C . ALA B 2 124 ? -1.308 -6.941 -18.542 1.00 90.82 124 B 1 ATOM 1946 O O . ALA B 2 124 ? -1.780 -6.006 -19.189 1.00 85.68 124 B 1 ATOM 1947 C CB . ALA B 2 124 ? -3.056 -8.486 -17.503 1.00 91.17 124 B 1 ATOM 1948 N N . ALA B 2 125 ? -0.187 -7.551 -18.882 1.00 91.75 125 B 1 ATOM 1949 C CA . ALA B 2 125 ? 0.570 -7.302 -20.099 1.00 88.99 125 B 1 ATOM 1950 C C . ALA B 2 125 ? 0.151 -8.225 -21.243 1.00 82.92 125 B 1 ATOM 1951 O O . ALA B 2 125 ? -0.256 -9.373 -20.973 1.00 74.91 125 B 1 ATOM 1952 C CB . ALA B 2 125 ? 2.066 -7.433 -19.794 1.00 83.72 125 B 1 ATOM 1953 O OXT . ALA B 2 125 ? 0.270 -7.782 -22.415 1.00 72.60 125 B 1 #