16_protein_ligand_interactions.ipynb

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                    "data": "data_3POZ\n# \n_entry.id   3POZ \n# \n_audit_conform.dict_name       mmcif_pdbx.dic \n_audit_conform.dict_version    5.281 \n_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic \n# \nloop_\n_database_2.database_id \n_database_2.database_code \nPDB   3POZ         \nRCSB  RCSB062641   \nWWPDB D_1000062641 \n# \n_pdbx_database_related.db_name        PDB \n_pdbx_database_related.db_id          3PP0 \n_pdbx_database_related.details        . \n_pdbx_database_related.content_type   unspecified \n# \n_pdbx_database_status.deposit_site                    RCSB \n_pdbx_database_status.entry_id                        3POZ \n_pdbx_database_status.process_site                    RCSB \n_pdbx_database_status.status_code                     REL \n_pdbx_database_status.recvd_initial_deposition_date   2010-11-23 \n_pdbx_database_status.status_code_sf                  REL \n_pdbx_database_status.status_code_mr                  ? \n_pdbx_database_status.SG_entry                        ? \n_pdbx_database_status.status_code_cs                  ? \n_pdbx_database_status.pdb_format_compatible           Y \n# \nloop_\n_audit_author.name \n_audit_author.pdbx_ordinal \n'Aertgeerts, K.' 1 \n'Skene, R.'      2 \n'Sogabe, S.'     3 \n# \n_citation.id                        primary \n_citation.title                     \n'Structural Analysis of the Mechanism of Inhibition and Allosteric Activation of the Kinase Domain of HER2 Protein.' \n_citation.journal_abbrev            J.Biol.Chem. \n_citation.journal_volume            286 \n_citation.page_first                18756 \n_citation.page_last                 18765 \n_citation.year                      2011 \n_citation.journal_id_ASTM           JBCHA3 \n_citation.country                   US \n_citation.journal_id_ISSN           0021-9258 \n_citation.journal_id_CSD            0071 \n_citation.book_publisher            ? \n_citation.pdbx_database_id_PubMed   21454582 \n_citation.pdbx_database_id_DOI      10.1074/jbc.M110.206193 \n# \nloop_\n_citation_author.citation_id \n_citation_author.name \n_citation_author.ordinal \nprimary 'Aertgeerts, K.' 1  \nprimary 'Skene, R.'      2  \nprimary 'Yano, J.'       3  \nprimary 'Sang, B.C.'     4  \nprimary 'Zou, H.'        5  \nprimary 'Snell, G.'      6  \nprimary 'Jennings, A.'   7  \nprimary 'Iwamoto, K.'    8  \nprimary 'Habuka, N.'     9  \nprimary 'Hirokawa, A.'   10 \nprimary 'Ishikawa, T.'   11 \nprimary 'Tanaka, T.'     12 \nprimary 'Miki, H.'       13 \nprimary 'Ohta, Y.'       14 \nprimary 'Sogabe, S.'     15 \n# \n_cell.entry_id           3POZ \n_cell.length_a           46.806 \n_cell.length_b           68.881 \n_cell.length_c           104.558 \n_cell.angle_alpha        90.00 \n_cell.angle_beta         90.00 \n_cell.angle_gamma        90.00 \n_cell.Z_PDB              4 \n_cell.pdbx_unique_axis   ? \n_cell.length_a_esd       ? \n_cell.length_b_esd       ? \n_cell.length_c_esd       ? \n_cell.angle_alpha_esd    ? \n_cell.angle_beta_esd     ? \n_cell.angle_gamma_esd    ? \n# \n_symmetry.entry_id                         3POZ \n_symmetry.space_group_name_H-M             'P 21 21 21' \n_symmetry.pdbx_full_space_group_name_H-M   ? \n_symmetry.cell_setting                     ? \n_symmetry.Int_Tables_number                19 \n_symmetry.space_group_name_Hall            ? \n# \nloop_\n_entity.id \n_entity.type \n_entity.src_method \n_entity.pdbx_description \n_entity.formula_weight \n_entity.pdbx_number_of_molecules \n_entity.pdbx_ec \n_entity.pdbx_mutation \n_entity.pdbx_fragment \n_entity.details \n1 polymer     man 'Epidermal growth factor receptor' 37304.129 1   2.7.10.1 ? 'Residues 606-1022' ? \n2 non-polymer syn 'SULFATE ION' 96.063    3   ?        ? ?                   ? \n3 non-polymer syn \n'N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide' \n547.957   1   ?        ? ?                   ? \n4 water       nat water 18.015    126 ?        ? ?                   ? \n# \n_entity_keywords.entity_id   1 \n_entity_keywords.text        polypeptide \n# \n_entity_name_com.entity_id   1 \n_entity_name_com.name        'Proto-oncogene c-ErbB-1, Receptor tyrosine-protein kinase erbB-1' \n# \n_entity_poly.entity_id                      1 \n_entity_poly.type                           'polypeptide(L)' \n_entity_poly.nstd_linkage                   no \n_entity_poly.nstd_monomer                   no \n_entity_poly.pdbx_seq_one_letter_code       \n;GEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVC\nRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITD\nFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQ\nPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADE\nYLIPQQG\n;\n_entity_poly.pdbx_seq_one_letter_code_can   \n;GEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVC\nRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITD\nFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQ\nPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADE\nYLIPQQG\n;\n_entity_poly.pdbx_strand_id                 A \n_entity_poly.pdbx_target_identifier         ? \n# \nloop_\n_entity_poly_seq.entity_id \n_entity_poly_seq.num \n_entity_poly_seq.mon_id \n_entity_poly_seq.hetero \n1 1   GLY n \n1 2   GLU n \n1 3   ALA n \n1 4   PRO n \n1 5   ASN n \n1 6   GLN n \n1 7   ALA n \n1 8   LEU n \n1 9   LEU n \n1 10  ARG n \n1 11  ILE n \n1 12  LEU n \n1 13  LYS n \n1 14  GLU n \n1 15  THR n \n1 16  GLU n \n1 17  PHE n \n1 18  LYS n \n1 19  LYS n \n1 20  ILE n \n1 21  LYS n \n1 22  VAL n \n1 23  LEU n \n1 24  GLY n \n1 25  SER n \n1 26  GLY n \n1 27  ALA n \n1 28  PHE n \n1 29  GLY n \n1 30  THR n \n1 31  VAL n \n1 32  TYR n \n1 33  LYS n \n1 34  GLY n \n1 35  LEU n \n1 36  TRP n \n1 37  ILE n \n1 38  PRO n \n1 39  GLU n \n1 40  GLY n \n1 41  GLU n \n1 42  LYS n \n1 43  VAL n \n1 44  LYS n \n1 45  ILE n \n1 46  PRO n \n1 47  VAL n \n1 48  ALA n \n1 49  ILE n \n1 50  LYS n \n1 51  GLU n \n1 52  LEU n \n1 53  ARG n \n1 54  GLU n \n1 55  ALA n \n1 56  THR n \n1 57  SER n \n1 58  PRO n \n1 59  LYS n \n1 60  ALA n \n1 61  ASN n \n1 62  LYS n \n1 63  GLU n \n1 64  ILE n \n1 65  LEU n \n1 66  ASP n \n1 67  GLU n \n1 68  ALA n \n1 69  TYR n \n1 70  VAL n \n1 71  MET n \n1 72  ALA n \n1 73  SER n \n1 74  VAL n \n1 75  ASP n \n1 76  ASN n \n1 77  PRO n \n1 78  HIS n \n1 79  VAL n \n1 80  CYS n \n1 81  ARG n \n1 82  LEU n \n1 83  LEU n \n1 84  GLY n \n1 85  ILE n \n1 86  CYS n \n1 87  LEU n \n1 88  THR n \n1 89  SER n \n1 90  THR n \n1 91  VAL n \n1 92  GLN n \n1 93  LEU n \n1 94  ILE n \n1 95  THR n \n1 96  GLN n \n1 97  LEU n \n1 98  MET n \n1 99  PRO n \n1 100 PHE n \n1 101 GLY n \n1 102 CYS n \n1 103 LEU n \n1 104 LEU n \n1 105 ASP n \n1 106 TYR n \n1 107 VAL n \n1 108 ARG n \n1 109 GLU n \n1 110 HIS n \n1 111 LYS n \n1 112 ASP n \n1 113 ASN n \n1 114 ILE n \n1 115 GLY n \n1 116 SER n \n1 117 GLN n \n1 118 TYR n \n1 119 LEU n \n1 120 LEU n \n1 121 ASN n \n1 122 TRP n \n1 123 CYS n \n1 124 VAL n \n1 125 GLN n \n1 126 ILE n \n1 127 ALA n \n1 128 LYS n \n1 129 GLY n \n1 130 MET n \n1 131 ASN n \n1 132 TYR n \n1 133 LEU n \n1 134 GLU n \n1 135 ASP n \n1 136 ARG n \n1 137 ARG n \n1 138 LEU n \n1 139 VAL n \n1 140 HIS n \n1 141 ARG n \n1 142 ASP n \n1 143 LEU n \n1 144 ALA n \n1 145 ALA n \n1 146 ARG n \n1 147 ASN n \n1 148 VAL n \n1 149 LEU n \n1 150 VAL n \n1 151 LYS n \n1 152 THR n \n1 153 PRO n \n1 154 GLN n \n1 155 HIS n \n1 156 VAL n \n1 157 LYS n \n1 158 ILE n \n1 159 THR n \n1 160 ASP n \n1 161 PHE n \n1 162 GLY n \n1 163 LEU n \n1 164 ALA n \n1 165 LYS n \n1 166 LEU n \n1 167 LEU n \n1 168 GLY n \n1 169 ALA n \n1 170 GLU n \n1 171 GLU n \n1 172 LYS n \n1 173 GLU n \n1 174 TYR n \n1 175 HIS n \n1 176 ALA n \n1 177 GLU n \n1 178 GLY n \n1 179 GLY n \n1 180 LYS n \n1 181 VAL n \n1 182 PRO n \n1 183 ILE n \n1 184 LYS n \n1 185 TRP n \n1 186 MET n \n1 187 ALA n \n1 188 LEU n \n1 189 GLU n \n1 190 SER n \n1 191 ILE n \n1 192 LEU n \n1 193 HIS n \n1 194 ARG n \n1 195 ILE n \n1 196 TYR n \n1 197 THR n \n1 198 HIS n \n1 199 GLN n \n1 200 SER n \n1 201 ASP n \n1 202 VAL n \n1 203 TRP n \n1 204 SER n \n1 205 TYR n \n1 206 GLY n \n1 207 VAL n \n1 208 THR n \n1 209 VAL n \n1 210 TRP n \n1 211 GLU n \n1 212 LEU n \n1 213 MET n \n1 214 THR n \n1 215 PHE n \n1 216 GLY n \n1 217 SER n \n1 218 LYS n \n1 219 PRO n \n1 220 TYR n \n1 221 ASP n \n1 222 GLY n \n1 223 ILE n \n1 224 PRO n \n1 225 ALA n \n1 226 SER n \n1 227 GLU n \n1 228 ILE n \n1 229 SER n \n1 230 SER n \n1 231 ILE n \n1 232 LEU n \n1 233 GLU n \n1 234 LYS n \n1 235 GLY n \n1 236 GLU n \n1 237 ARG n \n1 238 LEU n \n1 239 PRO n \n1 240 GLN n \n1 241 PRO n \n1 242 PRO n \n1 243 ILE n \n1 244 CYS n \n1 245 THR n \n1 246 ILE n \n1 247 ASP n \n1 248 VAL n \n1 249 TYR n \n1 250 MET n \n1 251 ILE n \n1 252 MET n \n1 253 VAL n \n1 254 LYS n \n1 255 CYS n \n1 256 TRP n \n1 257 MET n \n1 258 ILE n \n1 259 ASP n \n1 260 ALA n \n1 261 ASP n \n1 262 SER n \n1 263 ARG n \n1 264 PRO n \n1 265 LYS n \n1 266 PHE n \n1 267 ARG n \n1 268 GLU n \n1 269 LEU n \n1 270 ILE n \n1 271 ILE n \n1 272 GLU n \n1 273 PHE n \n1 274 SER n \n1 275 LYS n \n1 276 MET n \n1 277 ALA n \n1 278 ARG n \n1 279 ASP n \n1 280 PRO n \n1 281 GLN n \n1 282 ARG n \n1 283 TYR n \n1 284 LEU n \n1 285 VAL n \n1 286 ILE n \n1 287 GLN n \n1 288 GLY n \n1 289 ASP n \n1 290 GLU n \n1 291 ARG n \n1 292 MET n \n1 293 HIS n \n1 294 LEU n \n1 295 PRO n \n1 296 SER n \n1 297 PRO n \n1 298 THR n \n1 299 ASP n \n1 300 SER n \n1 301 ASN n \n1 302 PHE n \n1 303 TYR n \n1 304 ARG n \n1 305 ALA n \n1 306 LEU n \n1 307 MET n \n1 308 ASP n \n1 309 GLU n \n1 310 GLU n \n1 311 ASP n \n1 312 MET n \n1 313 ASP n \n1 314 ASP n \n1 315 VAL n \n1 316 VAL n \n1 317 ASP n \n1 318 ALA n \n1 319 ASP n \n1 320 GLU n \n1 321 TYR n \n1 322 LEU n \n1 323 ILE n \n1 324 PRO n \n1 325 GLN n \n1 326 GLN n \n1 327 GLY n \n# \n_entity_src_gen.entity_id                          1 \n_entity_src_gen.pdbx_src_id                        1 \n_entity_src_gen.pdbx_alt_source_flag               sample \n_entity_src_gen.pdbx_seq_type                      ? \n_entity_src_gen.pdbx_beg_seq_num                   ? \n_entity_src_gen.pdbx_end_seq_num                   ? \n_entity_src_gen.gene_src_common_name               human \n_entity_src_gen.gene_src_genus                     ? \n_entity_src_gen.pdbx_gene_src_gene                 'EGFR, ERBB1' \n_entity_src_gen.gene_src_species                   ? \n_entity_src_gen.gene_src_strain                    ? \n_entity_src_gen.gene_src_tissue                    ? \n_entity_src_gen.gene_src_tissue_fraction           ? \n_entity_src_gen.gene_src_details                   ? \n_entity_src_gen.pdbx_gene_src_fragment             ? \n_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' \n_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 \n_entity_src_gen.pdbx_gene_src_variant              ? \n_entity_src_gen.pdbx_gene_src_cell_line            ? \n_entity_src_gen.pdbx_gene_src_atcc                 ? \n_entity_src_gen.pdbx_gene_src_organ                ? \n_entity_src_gen.pdbx_gene_src_organelle            ? \n_entity_src_gen.pdbx_gene_src_cell                 ? \n_entity_src_gen.pdbx_gene_src_cellular_location    ? \n_entity_src_gen.host_org_common_name               ? \n_entity_src_gen.pdbx_host_org_scientific_name      'Spodoptera frugiperda' \n_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     7118 \n_entity_src_gen.host_org_genus                     ? \n_entity_src_gen.pdbx_host_org_gene                 ? \n_entity_src_gen.pdbx_host_org_organ                ? \n_entity_src_gen.host_org_species                   ? \n_entity_src_gen.pdbx_host_org_tissue               ? \n_entity_src_gen.pdbx_host_org_tissue_fraction      ? \n_entity_src_gen.pdbx_host_org_strain               Sf9 \n_entity_src_gen.pdbx_host_org_variant              ? \n_entity_src_gen.pdbx_host_org_cell_line            ? \n_entity_src_gen.pdbx_host_org_atcc                 ? \n_entity_src_gen.pdbx_host_org_culture_collection   ? \n_entity_src_gen.pdbx_host_org_cell                 ? \n_entity_src_gen.pdbx_host_org_organelle            ? \n_entity_src_gen.pdbx_host_org_cellular_location    ? \n_entity_src_gen.pdbx_host_org_vector_type          BACULOVIRUS \n_entity_src_gen.pdbx_host_org_vector               ? \n_entity_src_gen.host_org_details                   ? \n_entity_src_gen.expression_system_id               ? \n_entity_src_gen.plasmid_name                       pFastBacHT \n_entity_src_gen.plasmid_details                    ? \n_entity_src_gen.pdbx_description                   ? \n# \n_struct_ref.id                         1 \n_struct_ref.db_name                    UNP \n_struct_ref.db_code                    EGFR_HUMAN \n_struct_ref.entity_id                  1 \n_struct_ref.pdbx_seq_one_letter_code   \n;GEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVC\nRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITD\nFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQ\nPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADE\nYLIPQQG\n;\n_struct_ref.pdbx_align_begin           696 \n_struct_ref.pdbx_db_accession          P00533 \n_struct_ref.pdbx_db_isoform            ? \n# \n_struct_ref_seq.align_id                      1 \n_struct_ref_seq.ref_id                        1 \n_struct_ref_seq.pdbx_PDB_id_code              3POZ \n_struct_ref_seq.pdbx_strand_id                A \n_struct_ref_seq.seq_align_beg                 1 \n_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? \n_struct_ref_seq.seq_align_end                 327 \n_struct_ref_seq.pdbx_seq_align_end_ins_code   ? \n_struct_ref_seq.pdbx_db_accession             P00533 \n_struct_ref_seq.db_align_beg                  696 \n_struct_ref_seq.pdbx_db_align_beg_ins_code    ? \n_struct_ref_seq.db_align_end                  1022 \n_struct_ref_seq.pdbx_db_align_end_ins_code    ? \n_struct_ref_seq.pdbx_auth_seq_align_beg       696 \n_struct_ref_seq.pdbx_auth_seq_align_end       1022 \n# \nloop_\n_chem_comp.id \n_chem_comp.type \n_chem_comp.mon_nstd_flag \n_chem_comp.name \n_chem_comp.pdbx_synonyms \n_chem_comp.formula \n_chem_comp.formula_weight \n03P non-polymer         . \n'N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide' \nTAK-285 'C26 H25 Cl F3 N5 O3' 547.957 \nALA 'L-peptide linking' y ALANINE ?       'C3 H7 N O2'          89.093  \nARG 'L-peptide linking' y ARGININE ?       'C6 H15 N4 O2 1'      175.209 \nASN 'L-peptide linking' y ASPARAGINE ?       'C4 H8 N2 O3'         132.118 \nASP 'L-peptide linking' y 'ASPARTIC ACID' ?       'C4 H7 N O4'          133.103 \nCYS 'L-peptide linking' y CYSTEINE ?       'C3 H7 N O2 S'        121.158 \nGLN 'L-peptide linking' y GLUTAMINE ?       'C5 H10 N2 O3'        146.144 \nGLU 'L-peptide linking' y 'GLUTAMIC ACID' ?       'C5 H9 N O4'          147.129 \nGLY 'peptide linking'   y GLYCINE ?       'C2 H5 N O2'          75.067  \nHIS 'L-peptide linking' y HISTIDINE ?       'C6 H10 N3 O2 1'      156.162 \nHOH non-polymer         . WATER ?       'H2 O'                18.015  \nILE 'L-peptide linking' y ISOLEUCINE ?       'C6 H13 N O2'         131.173 \nLEU 'L-peptide linking' y LEUCINE ?       'C6 H13 N O2'         131.173 \nLYS 'L-peptide linking' y LYSINE ?       'C6 H15 N2 O2 1'      147.195 \nMET 'L-peptide linking' y METHIONINE ?       'C5 H11 N O2 S'       149.211 \nPHE 'L-peptide linking' y PHENYLALANINE ?       'C9 H11 N O2'         165.189 \nPRO 'L-peptide linking' y PROLINE ?       'C5 H9 N O2'          115.130 \nSER 'L-peptide linking' y SERINE ?       'C3 H7 N O3'          105.093 \nSO4 non-polymer         . 'SULFATE ION' ?       'O4 S -2'             96.063  \nTHR 'L-peptide linking' y THREONINE ?       'C4 H9 N O3'          119.119 \nTRP 'L-peptide linking' y TRYPTOPHAN ?       'C11 H12 N2 O2'       204.225 \nTYR 'L-peptide linking' y TYROSINE ?       'C9 H11 N O3'         181.189 \nVAL 'L-peptide linking' y VALINE ?       'C5 H11 N O2'         117.146 \n# \n_exptl.entry_id          3POZ \n_exptl.method            'X-RAY DIFFRACTION' \n_exptl.crystals_number   1 \n# \n_exptl_crystal.id                    1 \n_exptl_crystal.density_meas          ? \n_exptl_crystal.density_Matthews      2.25 \n_exptl_crystal.density_percent_sol   45.28 \n_exptl_crystal.description           ? \n_exptl_crystal.F_000                 ? \n_exptl_crystal.preparation           ? \n# \n_exptl_crystal_grow.crystal_id      1 \n_exptl_crystal_grow.method          ? \n_exptl_crystal_grow.temp            293 \n_exptl_crystal_grow.temp_details    ? \n_exptl_crystal_grow.pH              6.5 \n_exptl_crystal_grow.pdbx_pH_range   ? \n_exptl_crystal_grow.pdbx_details    'pH 6.5, hanging drop vapor diffusion, temperature 20K, temperature 293K' \n# \nloop_\n_exptl_crystal_grow_comp.crystal_id \n_exptl_crystal_grow_comp.id \n_exptl_crystal_grow_comp.sol_id \n_exptl_crystal_grow_comp.name \n_exptl_crystal_grow_comp.conc \n_exptl_crystal_grow_comp.volume \n_exptl_crystal_grow_comp.details \n1 1 1 'Tris pH 8.0'     '20 mM' ? ? \n1 2 1 DTT               '5 mM'  ? ? \n1 3 2 'Bis-Tris pH 6.5' '0.1 M' ? ? \n1 4 2 Li2SO4            '0.2 M' ? ? \n1 5 2 'PEG 3350'        20%     ? ? \n# \n_diffrn.id                     1 \n_diffrn.ambient_temp           100.0 \n_diffrn.ambient_temp_details   ? \n_diffrn.crystal_id             1 \n# \n_diffrn_detector.diffrn_id              1 \n_diffrn_detector.detector               CCD \n_diffrn_detector.type                   'ADSC QUANTUM 315' \n_diffrn_detector.pdbx_collection_date   2007-07-12 \n_diffrn_detector.details                ? \n# \n_diffrn_radiation.diffrn_id                        1 \n_diffrn_radiation.wavelength_id                    1 \n_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M \n_diffrn_radiation.monochromator                    ? \n_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' \n_diffrn_radiation.pdbx_scattering_type             x-ray \n# \n_diffrn_radiation_wavelength.id           1 \n_diffrn_radiation_wavelength.wavelength   . \n_diffrn_radiation_wavelength.wt           1.0 \n# \n_diffrn_source.diffrn_id                   1 \n_diffrn_source.source                      SYNCHROTRON \n_diffrn_source.type                        'SPRING-8 BEAMLINE BL41XU' \n_diffrn_source.pdbx_synchrotron_site       SPring-8 \n_diffrn_source.pdbx_synchrotron_beamline   BL41XU \n_diffrn_source.pdbx_wavelength             ? \n_diffrn_source.pdbx_wavelength_list        ? \n# \n_reflns.entry_id                     3POZ \n_reflns.observed_criterion_sigma_I   ? \n_reflns.observed_criterion_sigma_F   ? \n_reflns.d_resolution_low             50.000 \n_reflns.d_resolution_high            1.500 \n_reflns.number_obs                   53697 \n_reflns.number_all                   ? \n_reflns.percent_possible_obs         97.8 \n_reflns.pdbx_Rmerge_I_obs            0.04800 \n_reflns.pdbx_Rsym_value              ? \n_reflns.pdbx_netI_over_sigmaI        14.0000 \n_reflns.B_iso_Wilson_estimate        ? \n_reflns.pdbx_redundancy              5.020 \n_reflns.R_free_details               ? \n_reflns.limit_h_max                  ? \n_reflns.limit_h_min                  ? \n_reflns.limit_k_max                  ? \n_reflns.limit_k_min                  ? \n_reflns.limit_l_max                  ? \n_reflns.limit_l_min                  ? \n_reflns.observed_criterion_F_max     ? \n_reflns.observed_criterion_F_min     ? \n_reflns.pdbx_chi_squared             ? \n_reflns.pdbx_scaling_rejects         ? \n_reflns.pdbx_ordinal                 1 \n_reflns.pdbx_diffrn_id               1 \n# \n_reflns_shell.d_res_high             1.50 \n_reflns_shell.d_res_low              1.55 \n_reflns_shell.percent_possible_all   99.2 \n_reflns_shell.Rmerge_I_obs           0.58300 \n_reflns_shell.pdbx_Rsym_value        ? \n_reflns_shell.meanI_over_sigI_obs    2.400 \n_reflns_shell.pdbx_redundancy        4.58 \n_reflns_shell.percent_possible_obs   ? \n_reflns_shell.number_unique_all      ? \n_reflns_shell.number_measured_all    ? \n_reflns_shell.number_measured_obs    ? \n_reflns_shell.number_unique_obs      ? \n_reflns_shell.pdbx_chi_squared       ? \n_reflns_shell.pdbx_ordinal           1 \n_reflns_shell.pdbx_diffrn_id         1 \n# \n_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' \n_refine.entry_id                                 3POZ \n_refine.ls_number_reflns_obs                     50707 \n_refine.ls_number_reflns_all                     ? \n_refine.pdbx_ls_sigma_I                          ? \n_refine.pdbx_ls_sigma_F                          ? \n_refine.pdbx_data_cutoff_high_absF               ? \n_refine.pdbx_data_cutoff_low_absF                ? \n_refine.pdbx_data_cutoff_high_rms_absF           ? \n_refine.ls_d_res_low                             50.00 \n_refine.ls_d_res_high                            1.50 \n_refine.ls_percent_reflns_obs                    97.2 \n_refine.ls_R_factor_obs                          0.220 \n_refine.ls_R_factor_all                          ? \n_refine.ls_R_factor_R_work                       0.219 \n_refine.ls_R_factor_R_free                       0.243 \n_refine.ls_R_factor_R_free_error                 ? \n_refine.ls_R_factor_R_free_error_details         ? \n_refine.ls_percent_reflns_R_free                 5.100 \n_refine.ls_number_reflns_R_free                  2713 \n_refine.ls_number_parameters                     ? \n_refine.ls_number_restraints                     ? \n_refine.occupancy_min                            ? \n_refine.occupancy_max                            ? \n_refine.correlation_coeff_Fo_to_Fc               0.957 \n_refine.correlation_coeff_Fo_to_Fc_free          0.950 \n_refine.B_iso_mean                               36.52 \n_refine.aniso_B[1][1]                            0.92000 \n_refine.aniso_B[2][2]                            0.27000 \n_refine.aniso_B[3][3]                            -1.19000 \n_refine.aniso_B[1][2]                            0.00000 \n_refine.aniso_B[1][3]                            0.00000 \n_refine.aniso_B[2][3]                            0.00000 \n_refine.solvent_model_details                    MASK \n_refine.solvent_model_param_ksol                 ? \n_refine.solvent_model_param_bsol                 ? \n_refine.pdbx_solvent_vdw_probe_radii             1.40 \n_refine.pdbx_solvent_ion_probe_radii             0.80 \n_refine.pdbx_solvent_shrinkage_radii             0.80 \n_refine.pdbx_ls_cross_valid_method               THROUGHOUT \n_refine.details                                  'HYDROGENS HAVE BEEN ADDED IN THE RIDING' \n_refine.pdbx_starting_model                      'PDB ID 1XKK' \n_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' \n_refine.pdbx_isotropic_thermal_model             ? \n_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' \n_refine.pdbx_stereochem_target_val_spec_case     ? \n_refine.pdbx_R_Free_selection_details            RANDOM \n_refine.pdbx_overall_ESU_R_Free                  0.084 \n_refine.overall_SU_ML                            ? \n_refine.pdbx_overall_phase_error                 ? \n_refine.overall_SU_B                             ? \n_refine.overall_SU_R_Cruickshank_DPI             ? \n_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? \n_refine.pdbx_overall_SU_R_Blow_DPI               ? \n_refine.pdbx_overall_SU_R_free_Blow_DPI          ? \n_refine.ls_redundancy_reflns_obs                 ? \n_refine.pdbx_overall_ESU_R                       ? \n_refine.B_iso_min                                ? \n_refine.B_iso_max                                ? \n_refine.overall_SU_R_free                        ? \n_refine.ls_wR_factor_R_free                      ? \n_refine.ls_wR_factor_R_work                      ? \n_refine.overall_FOM_free_R_set                   ? \n_refine.overall_FOM_work_R_set                   ? \n_refine.pdbx_diffrn_id                           1 \n_refine.pdbx_TLS_residual_ADP_flag               ? \n# \n_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' \n_refine_hist.cycle_id                         LAST \n_refine_hist.pdbx_number_atoms_protein        2357 \n_refine_hist.pdbx_number_atoms_nucleic_acid   0 \n_refine_hist.pdbx_number_atoms_ligand         53 \n_refine_hist.number_atoms_solvent             126 \n_refine_hist.number_atoms_total               2536 \n_refine_hist.d_res_high                       1.50 \n_refine_hist.d_res_low                        50.00 \n# \nloop_\n_refine_ls_restr.type \n_refine_ls_restr.dev_ideal \n_refine_ls_restr.dev_ideal_target \n_refine_ls_restr.weight \n_refine_ls_restr.number \n_refine_ls_restr.pdbx_refine_id \n_refine_ls_restr.pdbx_restraint_function \nr_bond_refined_d             0.010  0.022  ? 2459 'X-RAY DIFFRACTION' ? \nr_bond_other_d               ?      ?      ? ?    'X-RAY DIFFRACTION' ? \nr_angle_refined_deg          1.240  2.000  ? 3331 'X-RAY DIFFRACTION' ? \nr_angle_other_deg            ?      ?      ? ?    'X-RAY DIFFRACTION' ? \nr_dihedral_angle_1_deg       5.271  5.000  ? 288  'X-RAY DIFFRACTION' ? \nr_dihedral_angle_2_deg       13.842 15.000 ? 446  'X-RAY DIFFRACTION' ? \nr_dihedral_angle_3_deg       ?      ?      ? ?    'X-RAY DIFFRACTION' ? \nr_dihedral_angle_4_deg       ?      ?      ? ?    'X-RAY DIFFRACTION' ? \nr_chiral_restr               0.076  0.200  ? 372  'X-RAY DIFFRACTION' ? \nr_gen_planes_refined         0.006  0.021  ? 1785 'X-RAY DIFFRACTION' ? \nr_gen_planes_other           ?      ?      ? ?    'X-RAY DIFFRACTION' ? \nr_nbd_refined                ?      ?      ? ?    'X-RAY DIFFRACTION' ? \nr_nbd_other                  ?      ?      ? ?    'X-RAY DIFFRACTION' ? \nr_nbtor_refined              ?      ?      ? ?    'X-RAY DIFFRACTION' ? \nr_nbtor_other                ?      ?      ? ?    'X-RAY DIFFRACTION' ? \nr_xyhbond_nbd_refined        ?      ?      ? ?    'X-RAY DIFFRACTION' ? \nr_xyhbond_nbd_other          ?      ?      ? ?    'X-RAY DIFFRACTION' ? \nr_metal_ion_refined          ?      ?      ? ?    'X-RAY DIFFRACTION' ? \nr_metal_ion_other            ?      ?      ? ?    'X-RAY DIFFRACTION' ? \nr_symmetry_vdw_refined       ?      ?      ? ?    'X-RAY DIFFRACTION' ? \nr_symmetry_vdw_other         ?      ?      ? ?    'X-RAY DIFFRACTION' ? \nr_symmetry_hbond_refined     ?      ?      ? ?    'X-RAY DIFFRACTION' ? \nr_symmetry_hbond_other       ?      ?      ? ?    'X-RAY DIFFRACTION' ? \nr_symmetry_metal_ion_refined ?      ?      ? ?    'X-RAY DIFFRACTION' ? \nr_symmetry_metal_ion_other   ?      ?      ? ?    'X-RAY DIFFRACTION' ? \nr_mcbond_it                  1.740  2.000  ? 1464 'X-RAY DIFFRACTION' ? \nr_mcbond_other               ?      ?      ? ?    'X-RAY DIFFRACTION' ? \nr_mcangle_it                 2.839  3.000  ? 2378 'X-RAY DIFFRACTION' ? \nr_scbond_it                  3.930  4.000  ? 995  'X-RAY DIFFRACTION' ? \nr_scangle_it                 6.088  6.000  ? 953  'X-RAY DIFFRACTION' ? \nr_rigid_bond_restr           ?      ?      ? ?    'X-RAY DIFFRACTION' ? \nr_sphericity_free            ?      ?      ? ?    'X-RAY DIFFRACTION' ? \nr_sphericity_bonded          ?      ?      ? ?    'X-RAY DIFFRACTION' ? \n# \n_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' \n_refine_ls_shell.pdbx_total_number_of_bins_used   20 \n_refine_ls_shell.d_res_high                       1.50 \n_refine_ls_shell.d_res_low                        1.54 \n_refine_ls_shell.number_reflns_R_work             3745 \n_refine_ls_shell.R_factor_R_work                  0.3760 \n_refine_ls_shell.percent_reflns_obs               ? \n_refine_ls_shell.R_factor_R_free                  0.3860 \n_refine_ls_shell.R_factor_R_free_error            ? \n_refine_ls_shell.percent_reflns_R_free            ? \n_refine_ls_shell.number_reflns_R_free             183 \n_refine_ls_shell.number_reflns_all                ? \n_refine_ls_shell.R_factor_all                     ? \n_refine_ls_shell.redundancy_reflns_obs            ? \n_refine_ls_shell.number_reflns_obs                ? \n# \n_struct.entry_id                  3POZ \n_struct.title                     'EGFR Kinase domain complexed with tak-285' \n_struct.pdbx_descriptor           'Epidermal growth factor receptor (E.C.2.7.10.1)' \n_struct.pdbx_model_details        ? \n_struct.pdbx_CASP_flag            ? \n_struct.pdbx_model_type_details   ? \n# \n_struct_keywords.entry_id        3POZ \n_struct_keywords.pdbx_keywords   'TRANSFERASE/TRANSFERASE INHIBITOR' \n_struct_keywords.text            \n;KINASE DOMAIN, ANTI-ONCOGENE, ATP-BINDING, CELL CYCLE, DISEASE MUTATION, GLYCOPROTEIN, MEMBRANE, NUCLEOTIDE-BINDING, PHOSPHOPROTEIN, RECEPTOR, SECRETED, TRANSFERASE, TRANSMEMBRANE, TYROSINE-PROTEIN KINASE, TRANSFERASE-TRANSFERASE INHIBITOR complex\n;\n# \nloop_\n_struct_asym.id \n_struct_asym.pdbx_blank_PDB_chainid_flag \n_struct_asym.pdbx_modified \n_struct_asym.entity_id \n_struct_asym.details \nA N N 1 ? \nB N N 2 ? \nC N N 2 ? \nD N N 2 ? \nE N N 3 ? \nF N N 4 ? \n# \n_struct_biol.id        1 \n_struct_biol.details   ? \n# \nloop_\n_struct_conf.conf_type_id \n_struct_conf.id \n_struct_conf.pdbx_PDB_helix_id \n_struct_conf.beg_label_comp_id \n_struct_conf.beg_label_asym_id \n_struct_conf.beg_label_seq_id \n_struct_conf.pdbx_beg_PDB_ins_code \n_struct_conf.end_label_comp_id \n_struct_conf.end_label_asym_id \n_struct_conf.end_label_seq_id \n_struct_conf.pdbx_end_PDB_ins_code \n_struct_conf.beg_auth_comp_id \n_struct_conf.beg_auth_asym_id \n_struct_conf.beg_auth_seq_id \n_struct_conf.end_auth_comp_id \n_struct_conf.end_auth_asym_id \n_struct_conf.end_auth_seq_id \n_struct_conf.pdbx_PDB_helix_class \n_struct_conf.details \n_struct_conf.pdbx_PDB_helix_length \nHELX_P HELX_P1  1  LYS A 13  ? THR A 15  ? LYS A 708  THR A 710  5 ? 3  \nHELX_P HELX_P2  2  ALA A 60  ? VAL A 74  ? ALA A 755  VAL A 769  1 ? 15 \nHELX_P HELX_P3  3  CYS A 102 ? HIS A 110 ? CYS A 797  HIS A 805  1 ? 9  \nHELX_P HELX_P4  4  GLY A 115 ? ARG A 136 ? GLY A 810  ARG A 831  1 ? 22 \nHELX_P HELX_P5  5  ALA A 144 ? ARG A 146 ? ALA A 839  ARG A 841  5 ? 3  \nHELX_P HELX_P6  6  GLY A 162 ? GLY A 168 ? GLY A 857  GLY A 863  1 ? 7  \nHELX_P HELX_P7  7  PRO A 182 ? MET A 186 ? PRO A 877  MET A 881  5 ? 5  \nHELX_P HELX_P8  8  ALA A 187 ? ARG A 194 ? ALA A 882  ARG A 889  1 ? 8  \nHELX_P HELX_P9  9  THR A 197 ? THR A 214 ? THR A 892  THR A 909  1 ? 18 \nHELX_P HELX_P10 10 PRO A 224 ? SER A 226 ? PRO A 919  SER A 921  5 ? 3  \nHELX_P HELX_P11 11 GLU A 227 ? LYS A 234 ? GLU A 922  LYS A 929  1 ? 8  \nHELX_P HELX_P12 12 THR A 245 ? TRP A 256 ? THR A 940  TRP A 951  1 ? 12 \nHELX_P HELX_P13 13 ASP A 259 ? ARG A 263 ? ASP A 954  ARG A 958  5 ? 5  \nHELX_P HELX_P14 14 LYS A 265 ? ARG A 278 ? LYS A 960  ARG A 973  1 ? 14 \nHELX_P HELX_P15 15 ASP A 279 ? LEU A 284 ? ASP A 974  LEU A 979  1 ? 6  \nHELX_P HELX_P16 16 GLY A 288 ? MET A 292 ? GLY A 983  MET A 987  5 ? 5  \nHELX_P HELX_P17 17 SER A 300 ? ASP A 308 ? SER A 995  ASP A 1003 1 ? 9  \nHELX_P HELX_P18 18 ASP A 317 ? LEU A 322 ? ASP A 1012 LEU A 1017 1 ? 6  \n# \n_struct_conf_type.id          HELX_P \n_struct_conf_type.criteria    ? \n_struct_conf_type.reference   ? \n# \nloop_\n_struct_sheet.id \n_struct_sheet.type \n_struct_sheet.number_strands \n_struct_sheet.details \nA ? 6 ? \nB ? 2 ? \n# \nloop_\n_struct_sheet_order.sheet_id \n_struct_sheet_order.range_id_1 \n_struct_sheet_order.range_id_2 \n_struct_sheet_order.offset \n_struct_sheet_order.sense \nA 1 2 ? parallel      \nA 2 3 ? anti-parallel \nA 3 4 ? anti-parallel \nA 4 5 ? anti-parallel \nA 5 6 ? anti-parallel \nB 1 2 ? anti-parallel \n# \nloop_\n_struct_sheet_range.sheet_id \n_struct_sheet_range.id \n_struct_sheet_range.beg_label_comp_id \n_struct_sheet_range.beg_label_asym_id \n_struct_sheet_range.beg_label_seq_id \n_struct_sheet_range.pdbx_beg_PDB_ins_code \n_struct_sheet_range.end_label_comp_id \n_struct_sheet_range.end_label_asym_id \n_struct_sheet_range.end_label_seq_id \n_struct_sheet_range.pdbx_end_PDB_ins_code \n_struct_sheet_range.beg_auth_comp_id \n_struct_sheet_range.beg_auth_asym_id \n_struct_sheet_range.beg_auth_seq_id \n_struct_sheet_range.end_auth_comp_id \n_struct_sheet_range.end_auth_asym_id \n_struct_sheet_range.end_auth_seq_id \nA 1 ARG A 10  ? ILE A 11  ? ARG A 705 ILE A 706 \nA 2 LEU A 82  ? LEU A 87  ? LEU A 777 LEU A 782 \nA 3 VAL A 91  ? GLN A 96  ? VAL A 786 GLN A 791 \nA 4 ILE A 45  ? GLU A 51  ? ILE A 740 GLU A 746 \nA 5 GLY A 29  ? TRP A 36  ? GLY A 724 TRP A 731 \nA 6 PHE A 17  ? GLY A 26  ? PHE A 712 GLY A 721 \nB 1 VAL A 148 ? THR A 152 ? VAL A 843 THR A 847 \nB 2 HIS A 155 ? ILE A 158 ? HIS A 850 ILE A 853 \n# \nloop_\n_pdbx_struct_sheet_hbond.sheet_id \n_pdbx_struct_sheet_hbond.range_id_1 \n_pdbx_struct_sheet_hbond.range_id_2 \n_pdbx_struct_sheet_hbond.range_1_label_atom_id \n_pdbx_struct_sheet_hbond.range_1_label_comp_id \n_pdbx_struct_sheet_hbond.range_1_label_asym_id \n_pdbx_struct_sheet_hbond.range_1_label_seq_id \n_pdbx_struct_sheet_hbond.range_1_PDB_ins_code \n_pdbx_struct_sheet_hbond.range_1_auth_atom_id \n_pdbx_struct_sheet_hbond.range_1_auth_comp_id \n_pdbx_struct_sheet_hbond.range_1_auth_asym_id \n_pdbx_struct_sheet_hbond.range_1_auth_seq_id \n_pdbx_struct_sheet_hbond.range_2_label_atom_id \n_pdbx_struct_sheet_hbond.range_2_label_comp_id \n_pdbx_struct_sheet_hbond.range_2_label_asym_id \n_pdbx_struct_sheet_hbond.range_2_label_seq_id \n_pdbx_struct_sheet_hbond.range_2_PDB_ins_code \n_pdbx_struct_sheet_hbond.range_2_auth_atom_id \n_pdbx_struct_sheet_hbond.range_2_auth_comp_id \n_pdbx_struct_sheet_hbond.range_2_auth_asym_id \n_pdbx_struct_sheet_hbond.range_2_auth_seq_id \nA 1 2 N ARG A 10  ? N ARG A 705 O ILE A 85  ? O ILE A 780 \nA 2 3 N GLY A 84  ? N GLY A 779 O ILE A 94  ? O ILE A 789 \nA 3 4 O THR A 95  ? O THR A 790 N ALA A 48  ? N ALA A 743 \nA 4 5 O VAL A 47  ? O VAL A 742 N GLY A 34  ? N GLY A 729 \nA 5 6 O LYS A 33  ? O LYS A 728 N LYS A 21  ? N LYS A 716 \nB 1 2 N LEU A 149 ? N LEU A 844 O LYS A 157 ? O LYS A 852 \n# \nloop_\n_struct_site.id \n_struct_site.pdbx_evidence_code \n_struct_site.pdbx_auth_asym_id \n_struct_site.pdbx_auth_comp_id \n_struct_site.pdbx_auth_seq_id \n_struct_site.pdbx_auth_ins_code \n_struct_site.pdbx_num_residues \n_struct_site.details \nAC1 Software ? ? ? ? 4  'BINDING SITE FOR RESIDUE SO4 A 1'    \nAC2 Software ? ? ? ? 7  'BINDING SITE FOR RESIDUE SO4 A 2'    \nAC3 Software ? ? ? ? 6  'BINDING SITE FOR RESIDUE SO4 A 3'    \nAC4 Software ? ? ? ? 19 'BINDING SITE FOR RESIDUE 03P A 1023' \n# \nloop_\n_struct_site_gen.id \n_struct_site_gen.site_id \n_struct_site_gen.pdbx_num_res \n_struct_site_gen.label_comp_id \n_struct_site_gen.label_asym_id \n_struct_site_gen.label_seq_id \n_struct_site_gen.pdbx_auth_ins_code \n_struct_site_gen.auth_comp_id \n_struct_site_gen.auth_asym_id \n_struct_site_gen.auth_seq_id \n_struct_site_gen.label_atom_id \n_struct_site_gen.label_alt_id \n_struct_site_gen.symmetry \n_struct_site_gen.details \n1  AC1 4  HOH F .   ? HOH A 18  . ? 1_555 ? \n2  AC1 4  ARG A 108 ? ARG A 803 . ? 1_555 ? \n3  AC1 4  LYS A 218 ? LYS A 913 . ? 1_555 ? \n4  AC1 4  ARG A 282 ? ARG A 977 . ? 3_655 ? \n5  AC2 7  HOH F .   ? HOH A 84  . ? 1_555 ? \n6  AC2 7  HOH F .   ? HOH A 85  . ? 1_555 ? \n7  AC2 7  HIS A 110 ? HIS A 805 . ? 1_555 ? \n8  AC2 7  PRO A 295 ? PRO A 990 . ? 1_555 ? \n9  AC2 7  SER A 300 ? SER A 995 . ? 1_555 ? \n10 AC2 7  ASN A 301 ? ASN A 996 . ? 1_555 ? \n11 AC2 7  PHE A 302 ? PHE A 997 . ? 1_555 ? \n12 AC3 6  ARG A 137 ? ARG A 832 . ? 1_555 ? \n13 AC3 6  LEU A 138 ? LEU A 833 . ? 1_555 ? \n14 AC3 6  VAL A 139 ? VAL A 834 . ? 1_555 ? \n15 AC3 6  ARG A 141 ? ARG A 836 . ? 1_555 ? \n16 AC3 6  LYS A 165 ? LYS A 860 . ? 1_555 ? \n17 AC3 6  HIS A 193 ? HIS A 888 . ? 4_455 ? \n18 AC4 19 HOH F .   ? HOH A 14  . ? 1_555 ? \n19 AC4 19 HOH F .   ? HOH A 78  . ? 1_555 ? \n20 AC4 19 VAL A 31  ? VAL A 726 . ? 1_555 ? \n21 AC4 19 ALA A 48  ? ALA A 743 . ? 1_555 ? \n22 AC4 19 LYS A 50  ? LYS A 745 . ? 1_555 ? \n23 AC4 19 MET A 71  ? MET A 766 . ? 1_555 ? \n24 AC4 19 CYS A 80  ? CYS A 775 . ? 1_555 ? \n25 AC4 19 ARG A 81  ? ARG A 776 . ? 1_555 ? \n26 AC4 19 LEU A 82  ? LEU A 777 . ? 1_555 ? \n27 AC4 19 LEU A 93  ? LEU A 788 . ? 1_555 ? \n28 AC4 19 THR A 95  ? THR A 790 . ? 1_555 ? \n29 AC4 19 GLN A 96  ? GLN A 791 . ? 1_555 ? \n30 AC4 19 MET A 98  ? MET A 793 . ? 1_555 ? \n31 AC4 19 ARG A 146 ? ARG A 841 . ? 1_555 ? \n32 AC4 19 ASN A 147 ? ASN A 842 . ? 1_555 ? \n33 AC4 19 LEU A 149 ? LEU A 844 . ? 1_555 ? \n34 AC4 19 THR A 159 ? THR A 854 . ? 1_555 ? \n35 AC4 19 ASP A 160 ? ASP A 855 . ? 1_555 ? \n36 AC4 19 PHE A 161 ? PHE A 856 . ? 1_555 ? \n# \n_database_PDB_matrix.entry_id          3POZ \n_database_PDB_matrix.origx[1][1]       1.000000 \n_database_PDB_matrix.origx[1][2]       0.000000 \n_database_PDB_matrix.origx[1][3]       0.000000 \n_database_PDB_matrix.origx[2][1]       0.000000 \n_database_PDB_matrix.origx[2][2]       1.000000 \n_database_PDB_matrix.origx[2][3]       0.000000 \n_database_PDB_matrix.origx[3][1]       0.000000 \n_database_PDB_matrix.origx[3][2]       0.000000 \n_database_PDB_matrix.origx[3][3]       1.000000 \n_database_PDB_matrix.origx_vector[1]   0.00000 \n_database_PDB_matrix.origx_vector[2]   0.00000 \n_database_PDB_matrix.origx_vector[3]   0.00000 \n# \n_atom_sites.entry_id                    3POZ \n_atom_sites.fract_transf_matrix[1][1]   0.021365 \n_atom_sites.fract_transf_matrix[1][2]   0.000000 \n_atom_sites.fract_transf_matrix[1][3]   0.000000 \n_atom_sites.fract_transf_matrix[2][1]   0.000000 \n_atom_sites.fract_transf_matrix[2][2]   0.014518 \n_atom_sites.fract_transf_matrix[2][3]   0.000000 \n_atom_sites.fract_transf_matrix[3][1]   0.000000 \n_atom_sites.fract_transf_matrix[3][2]   0.000000 \n_atom_sites.fract_transf_matrix[3][3]   0.009564 \n_atom_sites.fract_transf_vector[1]      0.00000 \n_atom_sites.fract_transf_vector[2]      0.00000 \n_atom_sites.fract_transf_vector[3]      0.00000 \n# \nloop_\n_atom_type.symbol \nC  \nCL \nF  \nN  \nO  \nS  \n# \nloop_\n_atom_site.group_PDB \n_atom_site.id \n_atom_site.type_symbol \n_atom_site.label_atom_id \n_atom_site.label_alt_id \n_atom_site.label_comp_id \n_atom_site.label_asym_id \n_atom_site.label_entity_id \n_atom_site.label_seq_id \n_atom_site.pdbx_PDB_ins_code \n_atom_site.Cartn_x \n_atom_site.Cartn_y \n_atom_site.Cartn_z \n_atom_site.occupancy \n_atom_site.B_iso_or_equiv \n_atom_site.pdbx_formal_charge \n_atom_site.auth_seq_id \n_atom_site.auth_comp_id \n_atom_site.auth_asym_id \n_atom_site.auth_atom_id \n_atom_site.pdbx_PDB_model_num \nATOM   1    N  N   . GLN A 1 6   ? -0.324 32.759 -3.927  1.00 61.18  ? 701  GLN A N   1 \nATOM   2    C  CA  . GLN A 1 6   ? -0.237 31.343 -3.461  1.00 60.53  ? 701  GLN A CA  1 \nATOM   3    C  C   . GLN A 1 6   ? 1.190  30.783 -3.514  1.00 56.45  ? 701  GLN A C   1 \nATOM   4    O  O   . GLN A 1 6   ? 1.395  29.584 -3.299  1.00 58.08  ? 701  GLN A O   1 \nATOM   5    C  CB  . GLN A 1 6   ? -1.170 30.446 -4.283  1.00 63.47  ? 701  GLN A CB  1 \nATOM   6    C  CG  . GLN A 1 6   ? -2.634 30.480 -3.860  1.00 68.38  ? 701  GLN A CG  1 \nATOM   7    C  CD  . GLN A 1 6   ? -3.445 29.329 -4.442  1.00 70.84  ? 701  GLN A CD  1 \nATOM   8    O  OE1 . GLN A 1 6   ? -4.522 29.537 -5.002  1.00 72.26  ? 701  GLN A OE1 1 \nATOM   9    N  NE2 . GLN A 1 6   ? -2.932 28.109 -4.308  1.00 70.51  ? 701  GLN A NE2 1 \nATOM   10   N  N   . ALA A 1 7   ? 2.169  31.642 -3.797  1.00 51.63  ? 702  ALA A N   1 \nATOM   11   C  CA  . ALA A 1 7   ? 3.559  31.202 -3.934  1.00 46.19  ? 702  ALA A CA  1 \nATOM   12   C  C   . ALA A 1 7   ? 4.097  30.608 -2.644  1.00 43.23  ? 702  ALA A C   1 \nATOM   13   O  O   . ALA A 1 7   ? 3.913  31.170 -1.560  1.00 40.56  ? 702  ALA A O   1 \nATOM   14   C  CB  . ALA A 1 7   ? 4.452  32.340 -4.419  1.00 46.38  ? 702  ALA A CB  1 \nATOM   15   N  N   . LEU A 1 8   ? 4.758  29.461 -2.767  1.00 40.30  ? 703  LEU A N   1 \nATOM   16   C  CA  . LEU A 1 8   ? 5.400  28.821 -1.631  1.00 38.27  ? 703  LEU A CA  1 \nATOM   17   C  C   . LEU A 1 8   ? 6.548  29.685 -1.118  1.00 35.17  ? 703  LEU A C   1 \nATOM   18   O  O   . LEU A 1 8   ? 6.662  29.933 0.085   1.00 36.27  ? 703  LEU A O   1 \nATOM   19   C  CB  . LEU A 1 8   ? 5.885  27.424 -2.015  1.00 38.95  ? 703  LEU A CB  1 \nATOM   20   C  CG  . LEU A 1 8   ? 6.195  26.458 -0.875  1.00 42.58  ? 703  LEU A CG  1 \nATOM   21   C  CD1 . LEU A 1 8   ? 5.062  26.415 0.156   1.00 46.67  ? 703  LEU A CD1 1 \nATOM   22   C  CD2 . LEU A 1 8   ? 6.465  25.077 -1.443  1.00 40.02  ? 703  LEU A CD2 1 \nATOM   23   N  N   . LEU A 1 9   ? 7.380  30.171 -2.032  1.00 34.64  ? 704  LEU A N   1 \nATOM   24   C  CA  . LEU A 1 9   ? 8.385  31.176 -1.676  1.00 31.12  ? 704  LEU A CA  1 \nATOM   25   C  C   . LEU A 1 9   ? 7.895  32.550 -2.139  1.00 31.31  ? 704  LEU A C   1 \nATOM   26   O  O   . LEU A 1 9   ? 7.917  32.864 -3.334  1.00 30.94  ? 704  LEU A O   1 \nATOM   27   C  CB  . LEU A 1 9   ? 9.753  30.845 -2.280  1.00 34.21  ? 704  LEU A CB  1 \nATOM   28   C  CG  . LEU A 1 9   ? 10.866 31.890 -2.084  1.00 34.03  ? 704  LEU A CG  1 \nATOM   29   C  CD1 . LEU A 1 9   ? 11.353 31.960 -0.641  1.00 39.27  ? 704  LEU A CD1 1 \nATOM   30   C  CD2 . LEU A 1 9   ? 12.031 31.644 -3.054  1.00 41.05  ? 704  LEU A CD2 1 \nATOM   31   N  N   . ARG A 1 10  ? 7.434  33.362 -1.191  1.00 30.38  ? 705  ARG A N   1 \nATOM   32   C  CA  . ARG A 1 10  ? 6.920  34.693 -1.526  1.00 34.16  ? 705  ARG A CA  1 \nATOM   33   C  C   . ARG A 1 10  ? 8.049  35.663 -1.844  1.00 32.33  ? 705  ARG A C   1 \nATOM   34   O  O   . ARG A 1 10  ? 9.030  35.747 -1.105  1.00 31.84  ? 705  ARG A O   1 \nATOM   35   C  CB  . ARG A 1 10  ? 6.017  35.227 -0.410  1.00 33.10  ? 705  ARG A CB  1 \nATOM   36   C  CG  . ARG A 1 10  ? 4.675  34.511 -0.364  1.00 41.71  ? 705  ARG A CG  1 \nATOM   37   C  CD  . ARG A 1 10  ? 4.104  34.481 1.028   1.00 46.22  ? 705  ARG A CD  1 \nATOM   38   N  NE  . ARG A 1 10  ? 2.812  33.797 1.076   1.00 58.38  ? 705  ARG A NE  1 \nATOM   39   C  CZ  . ARG A 1 10  ? 1.635  34.396 0.903   1.00 59.89  ? 705  ARG A CZ  1 \nATOM   40   N  NH1 . ARG A 1 10  ? 1.570  35.702 0.669   1.00 58.26  ? 705  ARG A NH1 1 \nATOM   41   N  NH2 . ARG A 1 10  ? 0.517  33.684 0.967   1.00 63.51  ? 705  ARG A NH2 1 \nATOM   42   N  N   . ILE A 1 11  ? 7.917  36.360 -2.970  1.00 33.16  ? 706  ILE A N   1 \nATOM   43   C  CA  . ILE A 1 11  ? 8.860  37.403 -3.333  1.00 36.42  ? 706  ILE A CA  1 \nATOM   44   C  C   . ILE A 1 11  ? 8.291  38.686 -2.771  1.00 37.84  ? 706  ILE A C   1 \nATOM   45   O  O   . ILE A 1 11  ? 7.217  39.133 -3.182  1.00 41.22  ? 706  ILE A O   1 \nATOM   46   C  CB  . ILE A 1 11  ? 9.032  37.528 -4.870  1.00 37.90  ? 706  ILE A CB  1 \nATOM   47   C  CG1 . ILE A 1 11  ? 9.369  36.168 -5.501  1.00 42.91  ? 706  ILE A CG1 1 \nATOM   48   C  CG2 . ILE A 1 11  ? 10.069 38.602 -5.210  1.00 43.21  ? 706  ILE A CG2 1 \nATOM   49   C  CD1 . ILE A 1 11  ? 10.655 35.517 -5.016  1.00 37.21  ? 706  ILE A CD1 1 \nATOM   50   N  N   . LEU A 1 12  ? 8.998  39.260 -1.806  1.00 35.63  ? 707  LEU A N   1 \nATOM   51   C  CA  . LEU A 1 12  ? 8.486  40.415 -1.105  1.00 38.00  ? 707  LEU A CA  1 \nATOM   52   C  C   . LEU A 1 12  ? 9.074  41.686 -1.683  1.00 40.35  ? 707  LEU A C   1 \nATOM   53   O  O   . LEU A 1 12  ? 10.269 41.752 -1.976  1.00 42.03  ? 707  LEU A O   1 \nATOM   54   C  CB  . LEU A 1 12  ? 8.774  40.317 0.401   1.00 34.37  ? 707  LEU A CB  1 \nATOM   55   C  CG  . LEU A 1 12  ? 8.272  39.065 1.139   1.00 35.97  ? 707  LEU A CG  1 \nATOM   56   C  CD1 . LEU A 1 12  ? 8.456  39.229 2.663   1.00 37.95  ? 707  LEU A CD1 1 \nATOM   57   C  CD2 . LEU A 1 12  ? 6.833  38.713 0.832   1.00 39.35  ? 707  LEU A CD2 1 \nATOM   58   N  N   . LYS A 1 13  ? 8.217  42.681 -1.869  1.00 44.55  ? 708  LYS A N   1 \nATOM   59   C  CA  . LYS A 1 13  ? 8.676  44.030 -2.167  1.00 47.63  ? 708  LYS A CA  1 \nATOM   60   C  C   . LYS A 1 13  ? 9.180  44.624 -0.862  1.00 47.78  ? 708  LYS A C   1 \nATOM   61   O  O   . LYS A 1 13  ? 8.745  44.223 0.222   1.00 44.94  ? 708  LYS A O   1 \nATOM   62   C  CB  . LYS A 1 13  ? 7.542  44.885 -2.734  1.00 48.47  ? 708  LYS A CB  1 \nATOM   63   C  CG  . LYS A 1 13  ? 7.092  44.483 -4.136  1.00 56.78  ? 708  LYS A CG  1 \nATOM   64   C  CD  . LYS A 1 13  ? 5.875  45.283 -4.580  1.00 64.69  ? 708  LYS A CD  1 \nATOM   65   C  CE  . LYS A 1 13  ? 4.591  44.745 -3.956  1.00 67.14  ? 708  LYS A CE  1 \nATOM   66   N  NZ  . LYS A 1 13  ? 3.388  45.461 -4.470  1.00 74.12  ? 708  LYS A NZ  1 \nATOM   67   N  N   . GLU A 1 14  ? 10.097 45.579 -0.964  1.00 49.95  ? 709  GLU A N   1 \nATOM   68   C  CA  . GLU A 1 14  ? 10.642 46.239 0.215   1.00 50.03  ? 709  GLU A CA  1 \nATOM   69   C  C   . GLU A 1 14  ? 9.557  46.922 1.052   1.00 50.56  ? 709  GLU A C   1 \nATOM   70   O  O   . GLU A 1 14  ? 9.703  47.055 2.264   1.00 47.83  ? 709  GLU A O   1 \nATOM   71   C  CB  . GLU A 1 14  ? 11.730 47.235 -0.187  1.00 53.26  ? 709  GLU A CB  1 \nATOM   72   C  CG  . GLU A 1 14  ? 13.039 46.562 -0.572  1.00 55.32  ? 709  GLU A CG  1 \nATOM   73   C  CD  . GLU A 1 14  ? 14.180 47.546 -0.724  1.00 62.58  ? 709  GLU A CD  1 \nATOM   74   O  OE1 . GLU A 1 14  ? 15.105 47.516 0.118   1.00 62.30  ? 709  GLU A OE1 1 \nATOM   75   O  OE2 . GLU A 1 14  ? 14.150 48.349 -1.682  1.00 63.14  ? 709  GLU A OE2 1 \nATOM   76   N  N   . THR A 1 15  ? 8.467  47.326 0.398   1.00 52.76  ? 710  THR A N   1 \nATOM   77   C  CA  . THR A 1 15  ? 7.330  47.964 1.073   1.00 53.75  ? 710  THR A CA  1 \nATOM   78   C  C   . THR A 1 15  ? 6.442  46.981 1.847   1.00 53.16  ? 710  THR A C   1 \nATOM   79   O  O   . THR A 1 15  ? 5.543  47.402 2.584   1.00 55.23  ? 710  THR A O   1 \nATOM   80   C  CB  . THR A 1 15  ? 6.445  48.769 0.083   1.00 56.69  ? 710  THR A CB  1 \nATOM   81   O  OG1 . THR A 1 15  ? 5.994  47.911 -0.976  1.00 53.99  ? 710  THR A OG1 1 \nATOM   82   C  CG2 . THR A 1 15  ? 7.213  49.959 -0.497  1.00 56.58  ? 710  THR A CG2 1 \nATOM   83   N  N   . GLU A 1 16  ? 6.697  45.682 1.688   1.00 49.26  ? 711  GLU A N   1 \nATOM   84   C  CA  . GLU A 1 16  ? 5.854  44.655 2.296   1.00 48.10  ? 711  GLU A CA  1 \nATOM   85   C  C   . GLU A 1 16  ? 6.397  44.128 3.620   1.00 46.08  ? 711  GLU A C   1 \nATOM   86   O  O   . GLU A 1 16  ? 5.785  43.249 4.237   1.00 45.42  ? 711  GLU A O   1 \nATOM   87   C  CB  . GLU A 1 16  ? 5.651  43.489 1.334   1.00 48.28  ? 711  GLU A CB  1 \nATOM   88   C  CG  . GLU A 1 16  ? 4.671  43.784 0.224   1.00 53.95  ? 711  GLU A CG  1 \nATOM   89   C  CD  . GLU A 1 16  ? 4.511  42.603 -0.701  1.00 57.27  ? 711  GLU A CD  1 \nATOM   90   O  OE1 . GLU A 1 16  ? 5.535  42.162 -1.271  1.00 56.06  ? 711  GLU A OE1 1 \nATOM   91   O  OE2 . GLU A 1 16  ? 3.368  42.117 -0.850  1.00 55.11  ? 711  GLU A OE2 1 \nATOM   92   N  N   . PHE A 1 17  ? 7.551  44.643 4.037   1.00 41.23  ? 712  PHE A N   1 \nATOM   93   C  CA  . PHE A 1 17  ? 8.136  44.272 5.324   1.00 40.81  ? 712  PHE A CA  1 \nATOM   94   C  C   . PHE A 1 17  ? 8.916  45.422 5.929   1.00 38.75  ? 712  PHE A C   1 \nATOM   95   O  O   . PHE A 1 17  ? 9.344  46.345 5.220   1.00 40.10  ? 712  PHE A O   1 \nATOM   96   C  CB  . PHE A 1 17  ? 8.967  42.981 5.249   1.00 40.67  ? 712  PHE A CB  1 \nATOM   97   C  CG  . PHE A 1 17  ? 10.198 43.073 4.384   1.00 40.53  ? 712  PHE A CG  1 \nATOM   98   C  CD1 . PHE A 1 17  ? 11.454 43.268 4.960   1.00 41.02  ? 712  PHE A CD1 1 \nATOM   99   C  CD2 . PHE A 1 17  ? 10.112 42.916 3.004   1.00 38.70  ? 712  PHE A CD2 1 \nATOM   100  C  CE1 . PHE A 1 17  ? 12.599 43.335 4.170   1.00 40.62  ? 712  PHE A CE1 1 \nATOM   101  C  CE2 . PHE A 1 17  ? 11.255 42.990 2.200   1.00 40.04  ? 712  PHE A CE2 1 \nATOM   102  C  CZ  . PHE A 1 17  ? 12.500 43.199 2.784   1.00 41.02  ? 712  PHE A CZ  1 \nATOM   103  N  N   . LYS A 1 18  ? 9.047  45.384 7.248   1.00 35.88  ? 713  LYS A N   1 \nATOM   104  C  CA  . LYS A 1 18  ? 9.646  46.480 7.998   1.00 40.80  ? 713  LYS A CA  1 \nATOM   105  C  C   . LYS A 1 18  ? 10.564 45.902 9.055   1.00 39.58  ? 713  LYS A C   1 \nATOM   106  O  O   . LYS A 1 18  ? 10.174 44.997 9.796   1.00 39.69  ? 713  LYS A O   1 \nATOM   107  C  CB  . LYS A 1 18  ? 8.566  47.337 8.676   1.00 41.27  ? 713  LYS A CB  1 \nATOM   108  C  CG  . LYS A 1 18  ? 7.668  48.125 7.737   1.00 52.65  ? 713  LYS A CG  1 \nATOM   109  C  CD  . LYS A 1 18  ? 6.770  49.082 8.526   1.00 61.21  ? 713  LYS A CD  1 \nATOM   110  C  CE  . LYS A 1 18  ? 5.857  49.893 7.618   1.00 66.28  ? 713  LYS A CE  1 \nATOM   111  N  NZ  . LYS A 1 18  ? 5.073  50.888 8.403   1.00 68.91  ? 713  LYS A NZ  1 \nATOM   112  N  N   . LYS A 1 19  ? 11.793 46.402 9.097   1.00 39.42  ? 714  LYS A N   1 \nATOM   113  C  CA  . LYS A 1 19  ? 12.687 46.108 10.211  1.00 38.73  ? 714  LYS A CA  1 \nATOM   114  C  C   . LYS A 1 19  ? 12.355 47.049 11.367  1.00 40.49  ? 714  LYS A C   1 \nATOM   115  O  O   . LYS A 1 19  ? 12.310 48.276 11.200  1.00 40.51  ? 714  LYS A O   1 \nATOM   116  C  CB  . LYS A 1 19  ? 14.146 46.256 9.795   1.00 39.76  ? 714  LYS A CB  1 \nATOM   117  C  CG  . LYS A 1 19  ? 14.513 45.525 8.520   1.00 40.12  ? 714  LYS A CG  1 \nATOM   118  C  CD  . LYS A 1 19  ? 15.918 45.908 8.105   1.00 50.12  ? 714  LYS A CD  1 \nATOM   119  C  CE  . LYS A 1 19  ? 16.299 45.293 6.780   1.00 49.45  ? 714  LYS A CE  1 \nATOM   120  N  NZ  . LYS A 1 19  ? 15.735 46.045 5.614   1.00 44.44  ? 714  LYS A NZ  1 \nATOM   121  N  N   . ILE A 1 20  ? 12.093 46.460 12.528  1.00 37.04  ? 715  ILE A N   1 \nATOM   122  C  CA  . ILE A 1 20  ? 11.659 47.206 13.705  1.00 37.78  ? 715  ILE A CA  1 \nATOM   123  C  C   . ILE A 1 20  ? 12.822 47.358 14.676  1.00 38.31  ? 715  ILE A C   1 \nATOM   124  O  O   . ILE A 1 20  ? 13.081 48.459 15.161  1.00 39.47  ? 715  ILE A O   1 \nATOM   125  C  CB  . ILE A 1 20  ? 10.438 46.529 14.401  1.00 38.47  ? 715  ILE A CB  1 \nATOM   126  C  CG1 . ILE A 1 20  ? 9.225  46.471 13.453  1.00 37.34  ? 715  ILE A CG1 1 \nATOM   127  C  CG2 . ILE A 1 20  ? 10.085 47.222 15.736  1.00 41.43  ? 715  ILE A CG2 1 \nATOM   128  C  CD1 . ILE A 1 20  ? 8.592  47.819 13.097  1.00 47.00  ? 715  ILE A CD1 1 \nATOM   129  N  N   . LYS A 1 21  ? 13.527 46.260 14.951  1.00 36.34  ? 716  LYS A N   1 \nATOM   130  C  CA  . LYS A 1 21  ? 14.695 46.295 15.843  1.00 34.64  ? 716  LYS A CA  1 \nATOM   131  C  C   . LYS A 1 21  ? 15.740 45.263 15.426  1.00 35.86  ? 716  LYS A C   1 \nATOM   132  O  O   . LYS A 1 21  ? 15.437 44.320 14.690  1.00 30.67  ? 716  LYS A O   1 \nATOM   133  C  CB  . LYS A 1 21  ? 14.295 46.056 17.317  1.00 36.44  ? 716  LYS A CB  1 \nATOM   134  C  CG  . LYS A 1 21  ? 13.565 47.215 18.004  1.00 40.61  ? 716  LYS A CG  1 \nATOM   135  C  CD  . LYS A 1 21  ? 14.455 48.473 18.143  1.00 40.71  ? 716  LYS A CD  1 \nATOM   136  C  CE  . LYS A 1 21  ? 13.637 49.762 18.129  1.00 49.85  ? 716  LYS A CE  1 \nATOM   137  N  NZ  . LYS A 1 21  ? 12.768 49.933 19.327  1.00 49.00  ? 716  LYS A NZ  1 \nATOM   138  N  N   . VAL A 1 22  ? 16.971 45.435 15.904  1.00 34.62  ? 717  VAL A N   1 \nATOM   139  C  CA  . VAL A 1 22  ? 18.032 44.464 15.633  1.00 32.14  ? 717  VAL A CA  1 \nATOM   140  C  C   . VAL A 1 22  ? 17.951 43.298 16.624  1.00 32.62  ? 717  VAL A C   1 \nATOM   141  O  O   . VAL A 1 22  ? 17.874 43.502 17.832  1.00 32.90  ? 717  VAL A O   1 \nATOM   142  C  CB  . VAL A 1 22  ? 19.444 45.107 15.702  1.00 36.71  ? 717  VAL A CB  1 \nATOM   143  C  CG1 . VAL A 1 22  ? 20.526 44.074 15.355  1.00 35.95  ? 717  VAL A CG1 1 \nATOM   144  C  CG2 . VAL A 1 22  ? 19.546 46.309 14.772  1.00 36.52  ? 717  VAL A CG2 1 \nATOM   145  N  N   . LEU A 1 23  ? 17.951 42.070 16.120  1.00 27.96  ? 718  LEU A N   1 \nATOM   146  C  CA  . LEU A 1 23  ? 18.047 40.915 17.001  1.00 28.90  ? 718  LEU A CA  1 \nATOM   147  C  C   . LEU A 1 23  ? 19.521 40.584 17.234  1.00 28.54  ? 718  LEU A C   1 \nATOM   148  O  O   . LEU A 1 23  ? 20.008 40.600 18.373  1.00 31.42  ? 718  LEU A O   1 \nATOM   149  C  CB  . LEU A 1 23  ? 17.283 39.713 16.422  1.00 26.80  ? 718  LEU A CB  1 \nATOM   150  C  CG  . LEU A 1 23  ? 15.760 39.774 16.516  1.00 29.84  ? 718  LEU A CG  1 \nATOM   151  C  CD1 . LEU A 1 23  ? 15.152 38.606 15.757  1.00 29.38  ? 718  LEU A CD1 1 \nATOM   152  C  CD2 . LEU A 1 23  ? 15.282 39.774 17.980  1.00 35.80  ? 718  LEU A CD2 1 \nATOM   153  N  N   . GLY A 1 24  ? 20.248 40.336 16.151  1.00 30.16  ? 719  GLY A N   1 \nATOM   154  C  CA  . GLY A 1 24  ? 21.645 39.941 16.266  1.00 30.45  ? 719  GLY A CA  1 \nATOM   155  C  C   . GLY A 1 24  ? 22.492 40.403 15.107  1.00 33.43  ? 719  GLY A C   1 \nATOM   156  O  O   . GLY A 1 24  ? 21.967 40.740 14.047  1.00 36.42  ? 719  GLY A O   1 \nATOM   157  N  N   . SER A 1 25  ? 23.806 40.406 15.305  1.00 37.45  ? 720  SER A N   1 \nATOM   158  C  CA  . SER A 1 25  ? 24.734 40.802 14.253  1.00 43.68  ? 720  SER A CA  1 \nATOM   159  C  C   . SER A 1 25  ? 26.068 40.070 14.367  1.00 49.16  ? 720  SER A C   1 \nATOM   160  O  O   . SER A 1 25  ? 26.375 39.472 15.400  1.00 46.70  ? 720  SER A O   1 \nATOM   161  C  CB  . SER A 1 25  ? 24.962 42.320 14.285  1.00 45.00  ? 720  SER A CB  1 \nATOM   162  O  OG  . SER A 1 25  ? 25.499 42.773 13.055  1.00 46.29  ? 720  SER A OG  1 \nATOM   163  N  N   . GLY A 1 26  ? 26.845 40.125 13.286  1.00 56.31  ? 721  GLY A N   1 \nATOM   164  C  CA  . GLY A 1 26  ? 28.193 39.550 13.225  1.00 62.56  ? 721  GLY A CA  1 \nATOM   165  C  C   . GLY A 1 26  ? 28.551 39.154 11.802  1.00 66.46  ? 721  GLY A C   1 \nATOM   166  O  O   . GLY A 1 26  ? 28.193 39.851 10.845  1.00 67.68  ? 721  GLY A O   1 \nATOM   167  N  N   . ALA A 1 27  ? 29.253 38.032 11.664  1.00 69.16  ? 722  ALA A N   1 \nATOM   168  C  CA  . ALA A 1 27  ? 29.553 37.451 10.355  1.00 70.40  ? 722  ALA A CA  1 \nATOM   169  C  C   . ALA A 1 27  ? 28.370 36.619 9.857   1.00 69.60  ? 722  ALA A C   1 \nATOM   170  O  O   . ALA A 1 27  ? 27.788 35.840 10.618  1.00 67.33  ? 722  ALA A O   1 \nATOM   171  C  CB  . ALA A 1 27  ? 30.819 36.607 10.422  1.00 73.02  ? 722  ALA A CB  1 \nATOM   172  N  N   . PHE A 1 28  ? 28.050 36.784 8.570   1.00 70.17  ? 723  PHE A N   1 \nATOM   173  C  CA  . PHE A 1 28  ? 26.835 36.248 7.922   1.00 69.13  ? 723  PHE A CA  1 \nATOM   174  C  C   . PHE A 1 28  ? 25.740 37.320 7.827   1.00 66.08  ? 723  PHE A C   1 \nATOM   175  O  O   . PHE A 1 28  ? 24.688 37.089 7.222   1.00 65.70  ? 723  PHE A O   1 \nATOM   176  C  CB  . PHE A 1 28  ? 26.293 34.980 8.616   1.00 69.61  ? 723  PHE A CB  1 \nATOM   177  C  CG  . PHE A 1 28  ? 26.851 33.683 8.071   1.00 73.23  ? 723  PHE A CG  1 \nATOM   178  C  CD1 . PHE A 1 28  ? 25.993 32.706 7.565   1.00 74.34  ? 723  PHE A CD1 1 \nATOM   179  C  CD2 . PHE A 1 28  ? 28.223 33.429 8.080   1.00 77.42  ? 723  PHE A CD2 1 \nATOM   180  C  CE1 . PHE A 1 28  ? 26.490 31.499 7.071   1.00 75.96  ? 723  PHE A CE1 1 \nATOM   181  C  CE2 . PHE A 1 28  ? 28.732 32.226 7.580   1.00 80.45  ? 723  PHE A CE2 1 \nATOM   182  C  CZ  . PHE A 1 28  ? 27.863 31.259 7.075   1.00 78.87  ? 723  PHE A CZ  1 \nATOM   183  N  N   . GLY A 1 29  ? 25.990 38.482 8.434   1.00 62.45  ? 724  GLY A N   1 \nATOM   184  C  CA  . GLY A 1 29  ? 25.074 39.618 8.342   1.00 55.71  ? 724  GLY A CA  1 \nATOM   185  C  C   . GLY A 1 29  ? 24.426 40.055 9.646   1.00 50.52  ? 724  GLY A C   1 \nATOM   186  O  O   . GLY A 1 29  ? 25.045 40.013 10.709  1.00 50.23  ? 724  GLY A O   1 \nATOM   187  N  N   . THR A 1 30  ? 23.173 40.486 9.542   1.00 44.55  ? 725  THR A N   1 \nATOM   188  C  CA  . THR A 1 30  ? 22.411 41.033 10.658  1.00 40.58  ? 725  THR A CA  1 \nATOM   189  C  C   . THR A 1 30  ? 20.968 40.543 10.565  1.00 36.55  ? 725  THR A C   1 \nATOM   190  O  O   . THR A 1 30  ? 20.382 40.516 9.483   1.00 33.78  ? 725  THR A O   1 \nATOM   191  C  CB  . THR A 1 30  ? 22.439 42.579 10.652  1.00 42.95  ? 725  THR A CB  1 \nATOM   192  O  OG1 . THR A 1 30  ? 23.798 43.037 10.673  1.00 45.82  ? 725  THR A OG1 1 \nATOM   193  C  CG2 . THR A 1 30  ? 21.701 43.156 11.867  1.00 42.00  ? 725  THR A CG2 1 \nATOM   194  N  N   . VAL A 1 31  ? 20.406 40.127 11.699  1.00 33.07  ? 726  VAL A N   1 \nATOM   195  C  CA  . VAL A 1 31  ? 19.020 39.680 11.749  1.00 30.89  ? 726  VAL A CA  1 \nATOM   196  C  C   . VAL A 1 31  ? 18.221 40.704 12.537  1.00 30.09  ? 726  VAL A C   1 \nATOM   197  O  O   . VAL A 1 31  ? 18.643 41.138 13.611  1.00 30.54  ? 726  VAL A O   1 \nATOM   198  C  CB  . VAL A 1 31  ? 18.888 38.263 12.377  1.00 28.84  ? 726  VAL A CB  1 \nATOM   199  C  CG1 . VAL A 1 31  ? 17.419 37.803 12.443  1.00 27.16  ? 726  VAL A CG1 1 \nATOM   200  C  CG2 . VAL A 1 31  ? 19.709 37.270 11.595  1.00 35.67  ? 726  VAL A CG2 1 \nATOM   201  N  N   . TYR A 1 32  ? 17.076 41.083 11.984  1.00 28.85  ? 727  TYR A N   1 \nATOM   202  C  CA  . TYR A 1 32  ? 16.192 42.061 12.596  1.00 30.09  ? 727  TYR A CA  1 \nATOM   203  C  C   . TYR A 1 32  ? 14.895 41.384 12.974  1.00 28.16  ? 727  TYR A C   1 \nATOM   204  O  O   . TYR A 1 32  ? 14.493 40.376 12.357  1.00 28.87  ? 727  TYR A O   1 \nATOM   205  C  CB  . TYR A 1 32  ? 15.873 43.176 11.607  1.00 31.25  ? 727  TYR A CB  1 \nATOM   206  C  CG  . TYR A 1 32  ? 17.083 43.868 11.049  1.00 33.39  ? 727  TYR A CG  1 \nATOM   207  C  CD1 . TYR A 1 32  ? 17.580 45.027 11.644  1.00 34.45  ? 727  TYR A CD1 1 \nATOM   208  C  CD2 . TYR A 1 32  ? 17.736 43.368 9.920   1.00 37.62  ? 727  TYR A CD2 1 \nATOM   209  C  CE1 . TYR A 1 32  ? 18.702 45.672 11.130  1.00 38.87  ? 727  TYR A CE1 1 \nATOM   210  C  CE2 . TYR A 1 32  ? 18.865 44.010 9.394   1.00 38.37  ? 727  TYR A CE2 1 \nATOM   211  C  CZ  . TYR A 1 32  ? 19.337 45.158 10.010  1.00 41.76  ? 727  TYR A CZ  1 \nATOM   212  O  OH  . TYR A 1 32  ? 20.441 45.804 9.502   1.00 42.20  ? 727  TYR A OH  1 \nATOM   213  N  N   . LYS A 1 33  ? 14.241 41.943 13.979  1.00 27.43  ? 728  LYS A N   1 \nATOM   214  C  CA  . LYS A 1 33  ? 12.851 41.611 14.247  1.00 27.92  ? 728  LYS A CA  1 \nATOM   215  C  C   . LYS A 1 33  ? 12.019 42.602 13.464  1.00 29.98  ? 728  LYS A C   1 \nATOM   216  O  O   . LYS A 1 33  ? 12.382 43.771 13.338  1.00 32.16  ? 728  LYS A O   1 \nATOM   217  C  CB  . LYS A 1 33  ? 12.527 41.625 15.746  1.00 32.52  ? 728  LYS A CB  1 \nATOM   218  C  CG  . LYS A 1 33  ? 12.338 42.973 16.389  1.00 42.10  ? 728  LYS A CG  1 \nATOM   219  C  CD  . LYS A 1 33  ? 11.983 42.796 17.871  1.00 49.77  ? 728  LYS A CD  1 \nATOM   220  C  CE  . LYS A 1 33  ? 11.248 44.016 18.426  1.00 53.65  ? 728  LYS A CE  1 \nATOM   221  N  NZ  . LYS A 1 33  ? 9.841  44.076 17.936  1.00 55.82  ? 728  LYS A NZ  1 \nATOM   222  N  N   . GLY A 1 34  ? 10.932 42.125 12.890  1.00 30.41  ? 729  GLY A N   1 \nATOM   223  C  CA  . GLY A 1 34  ? 10.112 43.002 12.092  1.00 33.82  ? 729  GLY A CA  1 \nATOM   224  C  C   . GLY A 1 34  ? 8.711  42.519 11.891  1.00 33.49  ? 729  GLY A C   1 \nATOM   225  O  O   . GLY A 1 34  ? 8.229  41.627 12.602  1.00 30.33  ? 729  GLY A O   1 \nATOM   226  N  N   . LEU A 1 35  ? 8.059  43.143 10.915  1.00 33.30  ? 730  LEU A N   1 \nATOM   227  C  CA  . LEU A 1 35  ? 6.713  42.781 10.535  1.00 34.79  ? 730  LEU A CA  1 \nATOM   228  C  C   . LEU A 1 35  ? 6.651  42.586 9.036   1.00 35.66  ? 730  LEU A C   1 \nATOM   229  O  O   . LEU A 1 35  ? 7.253  43.344 8.265   1.00 38.98  ? 730  LEU A O   1 \nATOM   230  C  CB  . LEU A 1 35  ? 5.708  43.855 10.965  1.00 36.16  ? 730  LEU A CB  1 \nATOM   231  C  CG  . LEU A 1 35  ? 5.472  44.046 12.468  1.00 37.58  ? 730  LEU A CG  1 \nATOM   232  C  CD1 . LEU A 1 35  ? 4.793  45.396 12.739  1.00 46.47  ? 730  LEU A CD1 1 \nATOM   233  C  CD2 . LEU A 1 35  ? 4.658  42.894 13.045  1.00 36.19  ? 730  LEU A CD2 1 \nATOM   234  N  N   . TRP A 1 36  ? 5.943  41.542 8.640   1.00 37.02  ? 731  TRP A N   1 \nATOM   235  C  CA  . TRP A 1 36  ? 5.625  41.335 7.250   1.00 38.97  ? 731  TRP A CA  1 \nATOM   236  C  C   . TRP A 1 36  ? 4.181  41.805 7.095   1.00 41.44  ? 731  TRP A C   1 \nATOM   237  O  O   . TRP A 1 36  ? 3.288  41.406 7.853   1.00 38.23  ? 731  TRP A O   1 \nATOM   238  C  CB  . TRP A 1 36  ? 5.874  39.877 6.858   1.00 37.51  ? 731  TRP A CB  1 \nATOM   239  C  CG  . TRP A 1 36  ? 5.262  39.420 5.558   1.00 38.63  ? 731  TRP A CG  1 \nATOM   240  C  CD1 . TRP A 1 36  ? 5.102  40.146 4.404   1.00 48.49  ? 731  TRP A CD1 1 \nATOM   241  C  CD2 . TRP A 1 36  ? 4.741  38.123 5.289   1.00 39.68  ? 731  TRP A CD2 1 \nATOM   242  N  NE1 . TRP A 1 36  ? 4.499  39.373 3.439   1.00 45.93  ? 731  TRP A NE1 1 \nATOM   243  C  CE2 . TRP A 1 36  ? 4.266  38.127 3.956   1.00 44.17  ? 731  TRP A CE2 1 \nATOM   244  C  CE3 . TRP A 1 36  ? 4.625  36.950 6.046   1.00 35.82  ? 731  TRP A CE3 1 \nATOM   245  C  CZ2 . TRP A 1 36  ? 3.683  37.005 3.370   1.00 47.33  ? 731  TRP A CZ2 1 \nATOM   246  C  CZ3 . TRP A 1 36  ? 4.041  35.835 5.461   1.00 45.34  ? 731  TRP A CZ3 1 \nATOM   247  C  CH2 . TRP A 1 36  ? 3.581  35.871 4.137   1.00 44.84  ? 731  TRP A CH2 1 \nATOM   248  N  N   . ILE A 1 37  ? 3.988  42.724 6.159   1.00 42.56  ? 732  ILE A N   1 \nATOM   249  C  CA  . ILE A 1 37  ? 2.685  43.329 5.913   1.00 46.27  ? 732  ILE A CA  1 \nATOM   250  C  C   . ILE A 1 37  ? 2.316  43.057 4.455   1.00 44.61  ? 732  ILE A C   1 \nATOM   251  O  O   . ILE A 1 37  ? 2.581  43.892 3.582   1.00 45.94  ? 732  ILE A O   1 \nATOM   252  C  CB  . ILE A 1 37  ? 2.696  44.856 6.212   1.00 47.46  ? 732  ILE A CB  1 \nATOM   253  C  CG1 . ILE A 1 37  ? 3.412  45.143 7.539   1.00 53.07  ? 732  ILE A CG1 1 \nATOM   254  C  CG2 . ILE A 1 37  ? 1.268  45.415 6.237   1.00 53.68  ? 732  ILE A CG2 1 \nATOM   255  C  CD1 . ILE A 1 37  ? 4.130  46.476 7.589   1.00 56.26  ? 732  ILE A CD1 1 \nATOM   256  N  N   . PRO A 1 38  ? 1.723  41.877 4.184   1.00 44.92  ? 733  PRO A N   1 \nATOM   257  C  CA  . PRO A 1 38  ? 1.387  41.504 2.808   1.00 46.05  ? 733  PRO A CA  1 \nATOM   258  C  C   . PRO A 1 38  ? 0.197  42.289 2.270   1.00 47.52  ? 733  PRO A C   1 \nATOM   259  O  O   . PRO A 1 38  ? 0.394  43.197 1.471   1.00 52.14  ? 733  PRO A O   1 \nATOM   260  C  CB  . PRO A 1 38  ? 1.050  40.015 2.915   1.00 45.47  ? 733  PRO A CB  1 \nATOM   261  C  CG  . PRO A 1 38  ? 0.604  39.819 4.312   1.00 44.41  ? 733  PRO A CG  1 \nATOM   262  C  CD  . PRO A 1 38  ? 1.319  40.840 5.154   1.00 44.18  ? 733  PRO A CD  1 \nATOM   263  N  N   . VAL A 1 43  ? -2.747 42.964 7.103   1.00 59.01  ? 738  VAL A N   1 \nATOM   264  C  CA  . VAL A 1 43  ? -2.385 42.184 8.286   1.00 56.07  ? 738  VAL A CA  1 \nATOM   265  C  C   . VAL A 1 43  ? -0.882 42.302 8.592   1.00 52.56  ? 738  VAL A C   1 \nATOM   266  O  O   . VAL A 1 43  ? -0.072 42.519 7.686   1.00 49.97  ? 738  VAL A O   1 \nATOM   267  C  CB  . VAL A 1 43  ? -2.835 40.699 8.145   1.00 55.56  ? 738  VAL A CB  1 \nATOM   268  C  CG1 . VAL A 1 43  ? -1.936 39.920 7.177   1.00 52.47  ? 738  VAL A CG1 1 \nATOM   269  C  CG2 . VAL A 1 43  ? -2.894 40.021 9.499   1.00 57.53  ? 738  VAL A CG2 1 \nATOM   270  N  N   . LYS A 1 44  ? -0.533 42.171 9.872   1.00 50.30  ? 739  LYS A N   1 \nATOM   271  C  CA  . LYS A 1 44  ? 0.848  42.322 10.343  1.00 47.29  ? 739  LYS A CA  1 \nATOM   272  C  C   . LYS A 1 44  ? 1.337  41.037 10.994  1.00 44.27  ? 739  LYS A C   1 \nATOM   273  O  O   . LYS A 1 44  ? 0.765  40.571 11.982  1.00 44.06  ? 739  LYS A O   1 \nATOM   274  C  CB  . LYS A 1 44  ? 0.953  43.481 11.340  1.00 47.43  ? 739  LYS A CB  1 \nATOM   275  C  CG  . LYS A 1 44  ? 0.666  44.856 10.754  1.00 53.90  ? 739  LYS A CG  1 \nATOM   276  C  CD  . LYS A 1 44  ? 0.720  45.916 11.845  1.00 56.07  ? 739  LYS A CD  1 \nATOM   277  C  CE  . LYS A 1 44  ? 0.580  47.321 11.278  1.00 63.64  ? 739  LYS A CE  1 \nATOM   278  N  NZ  . LYS A 1 44  ? 0.955  48.353 12.290  1.00 62.83  ? 739  LYS A NZ  1 \nATOM   279  N  N   . ILE A 1 45  ? 2.408  40.473 10.441  1.00 39.49  ? 740  ILE A N   1 \nATOM   280  C  CA  . ILE A 1 45  ? 2.917  39.187 10.897  1.00 35.40  ? 740  ILE A CA  1 \nATOM   281  C  C   . ILE A 1 45  ? 4.325  39.376 11.454  1.00 31.81  ? 740  ILE A C   1 \nATOM   282  O  O   . ILE A 1 45  ? 5.204  39.881 10.750  1.00 32.69  ? 740  ILE A O   1 \nATOM   283  C  CB  . ILE A 1 45  ? 2.920  38.144 9.757   1.00 37.16  ? 740  ILE A CB  1 \nATOM   284  C  CG1 . ILE A 1 45  ? 1.511  37.992 9.171   1.00 42.93  ? 740  ILE A CG1 1 \nATOM   285  C  CG2 . ILE A 1 45  ? 3.399  36.791 10.250  1.00 33.37  ? 740  ILE A CG2 1 \nATOM   286  C  CD1 . ILE A 1 45  ? 1.478  37.538 7.733   1.00 45.44  ? 740  ILE A CD1 1 \nATOM   287  N  N   . PRO A 1 46  ? 4.544  38.974 12.721  1.00 30.95  ? 741  PRO A N   1 \nATOM   288  C  CA  . PRO A 1 46  ? 5.869  39.089 13.328  1.00 29.49  ? 741  PRO A CA  1 \nATOM   289  C  C   . PRO A 1 46  ? 6.879  38.173 12.629  1.00 27.75  ? 741  PRO A C   1 \nATOM   290  O  O   . PRO A 1 46  ? 6.633  36.964 12.498  1.00 29.03  ? 741  PRO A O   1 \nATOM   291  C  CB  . PRO A 1 46  ? 5.634  38.618 14.774  1.00 30.76  ? 741  PRO A CB  1 \nATOM   292  C  CG  . PRO A 1 46  ? 4.163  38.784 15.002  1.00 34.11  ? 741  PRO A CG  1 \nATOM   293  C  CD  . PRO A 1 46  ? 3.564  38.420 13.677  1.00 32.39  ? 741  PRO A CD  1 \nATOM   294  N  N   . VAL A 1 47  ? 7.985  38.759 12.170  1.00 26.26  ? 742  VAL A N   1 \nATOM   295  C  CA  . VAL A 1 47  ? 9.036  38.017 11.434  1.00 26.23  ? 742  VAL A CA  1 \nATOM   296  C  C   . VAL A 1 47  ? 10.459 38.357 11.893  1.00 24.85  ? 742  VAL A C   1 \nATOM   297  O  O   . VAL A 1 47  ? 10.695 39.407 12.516  1.00 26.57  ? 742  VAL A O   1 \nATOM   298  C  CB  . VAL A 1 47  ? 8.961  38.286 9.893   1.00 26.09  ? 742  VAL A CB  1 \nATOM   299  C  CG1 . VAL A 1 47  ? 7.667  37.704 9.293   1.00 26.33  ? 742  VAL A CG1 1 \nATOM   300  C  CG2 . VAL A 1 47  ? 9.115  39.800 9.572   1.00 26.42  ? 742  VAL A CG2 1 \nATOM   301  N  N   . ALA A 1 48  ? 11.394 37.452 11.595  1.00 22.39  ? 743  ALA A N   1 \nATOM   302  C  CA  . ALA A 1 48  ? 12.822 37.749 11.614  1.00 23.99  ? 743  ALA A CA  1 \nATOM   303  C  C   . ALA A 1 48  ? 13.280 37.930 10.186  1.00 25.06  ? 743  ALA A C   1 \nATOM   304  O  O   . ALA A 1 48  ? 12.814 37.235 9.276   1.00 24.46  ? 743  ALA A O   1 \nATOM   305  C  CB  . ALA A 1 48  ? 13.605 36.644 12.256  1.00 23.40  ? 743  ALA A CB  1 \nATOM   306  N  N   . ILE A 1 49  ? 14.188 38.879 9.992   1.00 23.71  ? 744  ILE A N   1 \nATOM   307  C  CA  . ILE A 1 49  ? 14.655 39.240 8.654   1.00 26.26  ? 744  ILE A CA  1 \nATOM   308  C  C   . ILE A 1 49  ? 16.170 39.168 8.690   1.00 28.94  ? 744  ILE A C   1 \nATOM   309  O  O   . ILE A 1 49  ? 16.811 39.933 9.414   1.00 29.48  ? 744  ILE A O   1 \nATOM   310  C  CB  . ILE A 1 49  ? 14.206 40.674 8.266   1.00 26.60  ? 744  ILE A CB  1 \nATOM   311  C  CG1 . ILE A 1 49  ? 12.677 40.788 8.269   1.00 27.62  ? 744  ILE A CG1 1 \nATOM   312  C  CG2 . ILE A 1 49  ? 14.762 41.093 6.884   1.00 30.85  ? 744  ILE A CG2 1 \nATOM   313  C  CD1 . ILE A 1 49  ? 12.180 42.232 8.445   1.00 34.21  ? 744  ILE A CD1 1 \nATOM   314  N  N   . LYS A 1 50  ? 16.741 38.229 7.939   1.00 27.44  ? 745  LYS A N   1 \nATOM   315  C  CA  . LYS A 1 50  ? 18.195 38.114 7.863   1.00 30.14  ? 745  LYS A CA  1 \nATOM   316  C  C   . LYS A 1 50  ? 18.707 38.758 6.587   1.00 32.38  ? 745  LYS A C   1 \nATOM   317  O  O   . LYS A 1 50  ? 18.375 38.309 5.493   1.00 33.54  ? 745  LYS A O   1 \nATOM   318  C  CB  . LYS A 1 50  ? 18.634 36.648 7.936   1.00 30.49  ? 745  LYS A CB  1 \nATOM   319  C  CG  . LYS A 1 50  ? 20.146 36.452 8.012   1.00 32.67  ? 745  LYS A CG  1 \nATOM   320  C  CD  . LYS A 1 50  ? 20.469 34.989 8.267   1.00 35.14  ? 745  LYS A CD  1 \nATOM   321  C  CE  . LYS A 1 50  ? 21.929 34.759 8.577   1.00 41.95  ? 745  LYS A CE  1 \nATOM   322  N  NZ  . LYS A 1 50  ? 22.111 33.407 9.194   1.00 39.80  ? 745  LYS A NZ  1 \nATOM   323  N  N   . GLU A 1 51  ? 19.494 39.820 6.744   1.00 34.46  ? 746  GLU A N   1 \nATOM   324  C  CA  . GLU A 1 51  ? 20.122 40.490 5.607   1.00 35.56  ? 746  GLU A CA  1 \nATOM   325  C  C   . GLU A 1 51  ? 21.575 40.052 5.533   1.00 39.54  ? 746  GLU A C   1 \nATOM   326  O  O   . GLU A 1 51  ? 22.374 40.396 6.405   1.00 40.22  ? 746  GLU A O   1 \nATOM   327  C  CB  . GLU A 1 51  ? 20.010 42.010 5.736   1.00 36.26  ? 746  GLU A CB  1 \nATOM   328  C  CG  . GLU A 1 51  ? 20.608 42.769 4.544   1.00 40.38  ? 746  GLU A CG  1 \nATOM   329  C  CD  . GLU A 1 51  ? 20.139 44.213 4.439   1.00 48.15  ? 746  GLU A CD  1 \nATOM   330  O  OE1 . GLU A 1 51  ? 20.206 44.952 5.445   1.00 47.12  ? 746  GLU A OE1 1 \nATOM   331  O  OE2 . GLU A 1 51  ? 19.719 44.613 3.331   1.00 52.07  ? 746  GLU A OE2 1 \nATOM   332  N  N   . LEU A 1 52  ? 21.907 39.303 4.480   1.00 42.54  ? 747  LEU A N   1 \nATOM   333  C  CA  . LEU A 1 52  ? 23.237 38.699 4.335   1.00 44.90  ? 747  LEU A CA  1 \nATOM   334  C  C   . LEU A 1 52  ? 24.327 39.734 4.027   1.00 47.83  ? 747  LEU A C   1 \nATOM   335  O  O   . LEU A 1 52  ? 24.060 40.757 3.398   1.00 49.37  ? 747  LEU A O   1 \nATOM   336  C  CB  . LEU A 1 52  ? 23.229 37.612 3.253   1.00 45.35  ? 747  LEU A CB  1 \nATOM   337  C  CG  . LEU A 1 52  ? 22.176 36.489 3.269   1.00 49.43  ? 747  LEU A CG  1 \nATOM   338  C  CD1 . LEU A 1 52  ? 22.488 35.476 2.179   1.00 51.28  ? 747  LEU A CD1 1 \nATOM   339  C  CD2 . LEU A 1 52  ? 22.071 35.788 4.619   1.00 49.49  ? 747  LEU A CD2 1 \nATOM   340  N  N   . ALA A 1 60  ? 23.240 35.856 -10.420 1.00 80.49  ? 755  ALA A N   1 \nATOM   341  C  CA  . ALA A 1 60  ? 23.194 34.796 -9.419  1.00 78.33  ? 755  ALA A CA  1 \nATOM   342  C  C   . ALA A 1 60  ? 21.790 34.618 -8.834  1.00 76.35  ? 755  ALA A C   1 \nATOM   343  O  O   . ALA A 1 60  ? 21.445 33.529 -8.380  1.00 74.50  ? 755  ALA A O   1 \nATOM   344  C  CB  . ALA A 1 60  ? 24.210 35.062 -8.307  1.00 77.14  ? 755  ALA A CB  1 \nATOM   345  N  N   . ASN A 1 61  ? 20.993 35.690 -8.861  1.00 76.38  ? 756  ASN A N   1 \nATOM   346  C  CA  . ASN A 1 61  ? 19.628 35.708 -8.308  1.00 73.90  ? 756  ASN A CA  1 \nATOM   347  C  C   . ASN A 1 61  ? 18.792 34.467 -8.623  1.00 72.48  ? 756  ASN A C   1 \nATOM   348  O  O   . ASN A 1 61  ? 18.101 33.938 -7.745  1.00 69.51  ? 756  ASN A O   1 \nATOM   349  C  CB  . ASN A 1 61  ? 18.871 36.956 -8.781  1.00 75.56  ? 756  ASN A CB  1 \nATOM   350  C  CG  . ASN A 1 61  ? 19.432 38.246 -8.205  1.00 76.67  ? 756  ASN A CG  1 \nATOM   351  O  OD1 . ASN A 1 61  ? 19.231 39.319 -8.774  1.00 81.77  ? 756  ASN A OD1 1 \nATOM   352  N  ND2 . ASN A 1 61  ? 20.129 38.153 -7.075  1.00 76.99  ? 756  ASN A ND2 1 \nATOM   353  N  N   . LYS A 1 62  ? 18.867 34.017 -9.876  1.00 71.62  ? 757  LYS A N   1 \nATOM   354  C  CA  . LYS A 1 62  ? 18.163 32.828 -10.356 1.00 70.57  ? 757  LYS A CA  1 \nATOM   355  C  C   . LYS A 1 62  ? 18.558 31.568 -9.574  1.00 68.26  ? 757  LYS A C   1 \nATOM   356  O  O   . LYS A 1 62  ? 17.717 30.703 -9.308  1.00 66.99  ? 757  LYS A O   1 \nATOM   357  C  CB  . LYS A 1 62  ? 18.443 32.639 -11.852 1.00 73.71  ? 757  LYS A CB  1 \nATOM   358  C  CG  . LYS A 1 62  ? 17.529 31.656 -12.565 1.00 74.00  ? 757  LYS A CG  1 \nATOM   359  C  CD  . LYS A 1 62  ? 17.872 31.573 -14.046 1.00 76.43  ? 757  LYS A CD  1 \nATOM   360  C  CE  . LYS A 1 62  ? 17.060 30.493 -14.742 1.00 77.87  ? 757  LYS A CE  1 \nATOM   361  N  NZ  . LYS A 1 62  ? 17.410 30.364 -16.187 1.00 81.86  ? 757  LYS A NZ  1 \nATOM   362  N  N   . GLU A 1 63  ? 19.837 31.479 -9.213  1.00 66.40  ? 758  GLU A N   1 \nATOM   363  C  CA  . GLU A 1 63  ? 20.368 30.346 -8.463  1.00 64.42  ? 758  GLU A CA  1 \nATOM   364  C  C   . GLU A 1 63  ? 20.004 30.459 -6.985  1.00 59.54  ? 758  GLU A C   1 \nATOM   365  O  O   . GLU A 1 63  ? 19.653 29.460 -6.357  1.00 57.96  ? 758  GLU A O   1 \nATOM   366  C  CB  . GLU A 1 63  ? 21.888 30.262 -8.637  1.00 68.09  ? 758  GLU A CB  1 \nATOM   367  C  CG  . GLU A 1 63  ? 22.528 28.942 -8.199  1.00 71.79  ? 758  GLU A CG  1 \nATOM   368  C  CD  . GLU A 1 63  ? 23.974 28.808 -8.669  1.00 79.14  ? 758  GLU A CD  1 \nATOM   369  O  OE1 . GLU A 1 63  ? 24.749 29.780 -8.524  1.00 81.01  ? 758  GLU A OE1 1 \nATOM   370  O  OE2 . GLU A 1 63  ? 24.337 27.729 -9.186  1.00 82.08  ? 758  GLU A OE2 1 \nATOM   371  N  N   . ILE A 1 64  ? 20.093 31.676 -6.443  1.00 55.69  ? 759  ILE A N   1 \nATOM   372  C  CA  . ILE A 1 64  ? 19.715 31.953 -5.053  1.00 50.88  ? 759  ILE A CA  1 \nATOM   373  C  C   . ILE A 1 64  ? 18.243 31.623 -4.802  1.00 47.19  ? 759  ILE A C   1 \nATOM   374  O  O   . ILE A 1 64  ? 17.897 31.047 -3.763  1.00 42.77  ? 759  ILE A O   1 \nATOM   375  C  CB  . ILE A 1 64  ? 20.015 33.424 -4.651  1.00 52.52  ? 759  ILE A CB  1 \nATOM   376  C  CG1 . ILE A 1 64  ? 21.527 33.676 -4.640  1.00 57.21  ? 759  ILE A CG1 1 \nATOM   377  C  CG2 . ILE A 1 64  ? 19.397 33.759 -3.287  1.00 45.28  ? 759  ILE A CG2 1 \nATOM   378  C  CD1 . ILE A 1 64  ? 21.917 35.146 -4.746  1.00 63.48  ? 759  ILE A CD1 1 \nATOM   379  N  N   . LEU A 1 65  ? 17.389 31.982 -5.757  1.00 46.25  ? 760  LEU A N   1 \nATOM   380  C  CA  . LEU A 1 65  ? 15.966 31.671 -5.681  1.00 44.03  ? 760  LEU A CA  1 \nATOM   381  C  C   . LEU A 1 65  ? 15.712 30.168 -5.697  1.00 43.37  ? 760  LEU A C   1 \nATOM   382  O  O   . LEU A 1 65  ? 14.840 29.684 -4.981  1.00 39.49  ? 760  LEU A O   1 \nATOM   383  C  CB  . LEU A 1 65  ? 15.193 32.346 -6.820  1.00 47.02  ? 760  LEU A CB  1 \nATOM   384  C  CG  . LEU A 1 65  ? 14.975 33.858 -6.727  1.00 44.87  ? 760  LEU A CG  1 \nATOM   385  C  CD1 . LEU A 1 65  ? 14.241 34.352 -7.975  1.00 52.28  ? 760  LEU A CD1 1 \nATOM   386  C  CD2 . LEU A 1 65  ? 14.217 34.251 -5.471  1.00 45.43  ? 760  LEU A CD2 1 \nATOM   387  N  N   . ASP A 1 66  ? 16.470 29.443 -6.525  1.00 45.95  ? 761  ASP A N   1 \nATOM   388  C  CA  . ASP A 1 66  ? 16.366 27.986 -6.626  1.00 47.05  ? 761  ASP A CA  1 \nATOM   389  C  C   . ASP A 1 66  ? 16.640 27.341 -5.268  1.00 45.55  ? 761  ASP A C   1 \nATOM   390  O  O   . ASP A 1 66  ? 15.875 26.487 -4.808  1.00 45.01  ? 761  ASP A O   1 \nATOM   391  C  CB  . ASP A 1 66  ? 17.341 27.465 -7.693  1.00 51.09  ? 761  ASP A CB  1 \nATOM   392  C  CG  . ASP A 1 66  ? 17.136 25.993 -8.027  1.00 56.84  ? 761  ASP A CG  1 \nATOM   393  O  OD1 . ASP A 1 66  ? 18.070 25.383 -8.597  1.00 61.30  ? 761  ASP A OD1 1 \nATOM   394  O  OD2 . ASP A 1 66  ? 16.051 25.444 -7.739  1.00 61.56  ? 761  ASP A OD2 1 \nATOM   395  N  N   . GLU A 1 67  ? 17.716 27.782 -4.618  1.00 44.56  ? 762  GLU A N   1 \nATOM   396  C  CA  . GLU A 1 67  ? 18.069 27.296 -3.279  1.00 43.82  ? 762  GLU A CA  1 \nATOM   397  C  C   . GLU A 1 67  ? 17.061 27.715 -2.213  1.00 39.77  ? 762  GLU A C   1 \nATOM   398  O  O   . GLU A 1 67  ? 16.693 26.912 -1.346  1.00 38.25  ? 762  GLU A O   1 \nATOM   399  C  CB  . GLU A 1 67  ? 19.487 27.739 -2.892  1.00 47.69  ? 762  GLU A CB  1 \nATOM   400  C  CG  . GLU A 1 67  ? 20.594 27.143 -3.770  1.00 56.04  ? 762  GLU A CG  1 \nATOM   401  C  CD  . GLU A 1 67  ? 20.631 25.620 -3.739  1.00 62.20  ? 762  GLU A CD  1 \nATOM   402  O  OE1 . GLU A 1 67  ? 20.806 25.015 -4.818  1.00 66.60  ? 762  GLU A OE1 1 \nATOM   403  O  OE2 . GLU A 1 67  ? 20.478 25.029 -2.643  1.00 64.84  ? 762  GLU A OE2 1 \nATOM   404  N  N   . ALA A 1 68  ? 16.602 28.964 -2.283  1.00 35.00  ? 763  ALA A N   1 \nATOM   405  C  CA  . ALA A 1 68  ? 15.615 29.469 -1.338  1.00 32.23  ? 763  ALA A CA  1 \nATOM   406  C  C   . ALA A 1 68  ? 14.284 28.722 -1.421  1.00 29.15  ? 763  ALA A C   1 \nATOM   407  O  O   . ALA A 1 68  ? 13.607 28.566 -0.410  1.00 29.38  ? 763  ALA A O   1 \nATOM   408  C  CB  . ALA A 1 68  ? 15.390 30.960 -1.527  1.00 31.52  ? 763  ALA A CB  1 \nATOM   409  N  N   . TYR A 1 69  ? 13.914 28.259 -2.611  1.00 29.49  ? 764  TYR A N   1 \nATOM   410  C  CA  . TYR A 1 69  ? 12.665 27.506 -2.747  1.00 28.40  ? 764  TYR A CA  1 \nATOM   411  C  C   . TYR A 1 69  ? 12.638 26.272 -1.841  1.00 28.05  ? 764  TYR A C   1 \nATOM   412  O  O   . TYR A 1 69  ? 11.625 25.993 -1.185  1.00 28.91  ? 764  TYR A O   1 \nATOM   413  C  CB  . TYR A 1 69  ? 12.411 27.083 -4.197  1.00 27.88  ? 764  TYR A CB  1 \nATOM   414  C  CG  . TYR A 1 69  ? 11.103 26.334 -4.366  1.00 28.23  ? 764  TYR A CG  1 \nATOM   415  C  CD1 . TYR A 1 69  ? 11.072 24.932 -4.370  1.00 29.74  ? 764  TYR A CD1 1 \nATOM   416  C  CD2 . TYR A 1 69  ? 9.907  27.027 -4.498  1.00 33.39  ? 764  TYR A CD2 1 \nATOM   417  C  CE1 . TYR A 1 69  ? 9.850  24.242 -4.520  1.00 28.24  ? 764  TYR A CE1 1 \nATOM   418  C  CE2 . TYR A 1 69  ? 8.686  26.353 -4.656  1.00 30.22  ? 764  TYR A CE2 1 \nATOM   419  C  CZ  . TYR A 1 69  ? 8.675  24.965 -4.652  1.00 30.79  ? 764  TYR A CZ  1 \nATOM   420  O  OH  . TYR A 1 69  ? 7.482  24.309 -4.806  1.00 30.62  ? 764  TYR A OH  1 \nATOM   421  N  N   . VAL A 1 70  ? 13.756 25.548 -1.794  1.00 29.75  ? 765  VAL A N   1 \nATOM   422  C  CA  . VAL A 1 70  ? 13.853 24.358 -0.943  1.00 31.28  ? 765  VAL A CA  1 \nATOM   423  C  C   . VAL A 1 70  ? 13.610 24.748 0.524   1.00 29.68  ? 765  VAL A C   1 \nATOM   424  O  O   . VAL A 1 70  ? 12.867 24.070 1.243   1.00 28.64  ? 765  VAL A O   1 \nATOM   425  C  CB  . VAL A 1 70  ? 15.211 23.632 -1.131  1.00 34.26  ? 765  VAL A CB  1 \nATOM   426  C  CG1 . VAL A 1 70  ? 15.283 22.378 -0.280  1.00 36.11  ? 765  VAL A CG1 1 \nATOM   427  C  CG2 . VAL A 1 70  ? 15.431 23.275 -2.598  1.00 39.10  ? 765  VAL A CG2 1 \nATOM   428  N  N   . MET A 1 71  ? 14.203 25.871 0.945   1.00 27.10  ? 766  MET A N   1 \nATOM   429  C  CA  . MET A 1 71  ? 14.027 26.388 2.310   1.00 25.16  ? 766  MET A CA  1 \nATOM   430  C  C   . MET A 1 71  ? 12.590 26.823 2.617   1.00 26.38  ? 766  MET A C   1 \nATOM   431  O  O   . MET A 1 71  ? 12.164 26.835 3.777   1.00 27.82  ? 766  MET A O   1 \nATOM   432  C  CB  . MET A 1 71  ? 14.961 27.575 2.539   1.00 26.73  ? 766  MET A CB  1 \nATOM   433  C  CG  . MET A 1 71  ? 16.436 27.236 2.460   1.00 31.84  ? 766  MET A CG  1 \nATOM   434  S  SD  . MET A 1 71  ? 17.493 28.683 2.146   1.00 38.26  ? 766  MET A SD  1 \nATOM   435  C  CE  . MET A 1 71  ? 16.676 29.967 3.065   1.00 41.11  ? 766  MET A CE  1 \nATOM   436  N  N   . ALA A 1 72  ? 11.848 27.207 1.581   1.00 26.98  ? 767  ALA A N   1 \nATOM   437  C  CA  . ALA A 1 72  ? 10.444 27.573 1.741   1.00 25.51  ? 767  ALA A CA  1 \nATOM   438  C  C   . ALA A 1 72  ? 9.483  26.383 1.708   1.00 25.47  ? 767  ALA A C   1 \nATOM   439  O  O   . ALA A 1 72  ? 8.320  26.502 2.112   1.00 28.97  ? 767  ALA A O   1 \nATOM   440  C  CB  . ALA A 1 72  ? 10.033 28.592 0.685   1.00 25.91  ? 767  ALA A CB  1 \nATOM   441  N  N   . SER A 1 73  ? 9.960  25.252 1.202   1.00 26.54  ? 768  SER A N   1 \nATOM   442  C  CA  . SER A 1 73  ? 9.115  24.091 0.971   1.00 29.36  ? 768  SER A CA  1 \nATOM   443  C  C   . SER A 1 73  ? 9.082  23.098 2.145   1.00 30.35  ? 768  SER A C   1 \nATOM   444  O  O   . SER A 1 73  ? 8.234  22.214 2.187   1.00 32.86  ? 768  SER A O   1 \nATOM   445  C  CB  . SER A 1 73  ? 9.573  23.386 -0.307  1.00 31.92  ? 768  SER A CB  1 \nATOM   446  O  OG  . SER A 1 73  ? 10.702 22.593 -0.023  1.00 38.69  ? 768  SER A OG  1 \nATOM   447  N  N   . VAL A 1 74  ? 10.003 23.237 3.092   1.00 29.09  ? 769  VAL A N   1 \nATOM   448  C  CA  . VAL A 1 74  ? 10.046 22.304 4.228   1.00 28.38  ? 769  VAL A CA  1 \nATOM   449  C  C   . VAL A 1 74  ? 8.808  22.453 5.102   1.00 30.76  ? 769  VAL A C   1 \nATOM   450  O  O   . VAL A 1 74  ? 8.341  23.558 5.368   1.00 33.90  ? 769  VAL A O   1 \nATOM   451  C  CB  . VAL A 1 74  ? 11.320 22.474 5.075   1.00 28.98  ? 769  VAL A CB  1 \nATOM   452  C  CG1 . VAL A 1 74  ? 12.540 22.016 4.283   1.00 32.76  ? 769  VAL A CG1 1 \nATOM   453  C  CG2 . VAL A 1 74  ? 11.489 23.927 5.538   1.00 31.36  ? 769  VAL A CG2 1 \nATOM   454  N  N   . ASP A 1 75  ? 8.269  21.322 5.528   1.00 29.73  ? 770  ASP A N   1 \nATOM   455  C  CA  . ASP A 1 75  ? 7.088  21.321 6.362   1.00 31.69  ? 770  ASP A CA  1 \nATOM   456  C  C   . ASP A 1 75  ? 7.261  20.238 7.405   1.00 28.18  ? 770  ASP A C   1 \nATOM   457  O  O   . ASP A 1 75  ? 6.951  19.074 7.177   1.00 29.11  ? 770  ASP A O   1 \nATOM   458  C  CB  . ASP A 1 75  ? 5.845  21.082 5.501   1.00 32.57  ? 770  ASP A CB  1 \nATOM   459  C  CG  . ASP A 1 75  ? 4.555  21.064 6.310   1.00 40.47  ? 770  ASP A CG  1 \nATOM   460  O  OD1 . ASP A 1 75  ? 4.545  21.548 7.462   1.00 37.18  ? 770  ASP A OD1 1 \nATOM   461  O  OD2 . ASP A 1 75  ? 3.550  20.552 5.781   1.00 49.33  ? 770  ASP A OD2 1 \nATOM   462  N  N   . ASN A 1 76  ? 7.841  20.644 8.531   1.00 25.40  ? 771  ASN A N   1 \nATOM   463  C  CA  . ASN A 1 76  ? 8.050  19.763 9.673   1.00 27.42  ? 771  ASN A CA  1 \nATOM   464  C  C   . ASN A 1 76  ? 7.988  20.614 10.937  1.00 26.77  ? 771  ASN A C   1 \nATOM   465  O  O   . ASN A 1 76  ? 8.534  21.723 10.943  1.00 26.16  ? 771  ASN A O   1 \nATOM   466  C  CB  . ASN A 1 76  ? 9.429  19.099 9.588   1.00 25.85  ? 771  ASN A CB  1 \nATOM   467  C  CG  . ASN A 1 76  ? 9.677  18.155 10.739  1.00 23.95  ? 771  ASN A CG  1 \nATOM   468  O  OD1 . ASN A 1 76  ? 10.210 18.557 11.764  1.00 27.36  ? 771  ASN A OD1 1 \nATOM   469  N  ND2 . ASN A 1 76  ? 9.283  16.897 10.580  1.00 26.36  ? 771  ASN A ND2 1 \nATOM   470  N  N   . PRO A 1 77  ? 7.340  20.106 12.010  1.00 28.94  ? 772  PRO A N   1 \nATOM   471  C  CA  . PRO A 1 77  ? 7.233  20.934 13.233  1.00 28.83  ? 772  PRO A CA  1 \nATOM   472  C  C   . PRO A 1 77  ? 8.581  21.363 13.847  1.00 28.30  ? 772  PRO A C   1 \nATOM   473  O  O   . PRO A 1 77  ? 8.615  22.318 14.629  1.00 28.75  ? 772  PRO A O   1 \nATOM   474  C  CB  . PRO A 1 77  ? 6.455  20.043 14.216  1.00 31.91  ? 772  PRO A CB  1 \nATOM   475  C  CG  . PRO A 1 77  ? 5.842  18.960 13.401  1.00 35.59  ? 772  PRO A CG  1 \nATOM   476  C  CD  . PRO A 1 77  ? 6.644  18.812 12.144  1.00 27.83  ? 772  PRO A CD  1 \nATOM   477  N  N   . HIS A 1 78  ? 9.674  20.679 13.505  1.00 25.21  ? 773  HIS A N   1 \nATOM   478  C  CA  . HIS A 1 78  ? 10.997 20.997 14.099  1.00 23.73  ? 773  HIS A CA  1 \nATOM   479  C  C   . HIS A 1 78  ? 12.014 21.619 13.168  1.00 22.51  ? 773  HIS A C   1 \nATOM   480  O  O   . HIS A 1 78  ? 13.205 21.605 13.470  1.00 23.03  ? 773  HIS A O   1 \nATOM   481  C  CB  . HIS A 1 78  ? 11.555 19.772 14.821  1.00 24.97  ? 773  HIS A CB  1 \nATOM   482  C  CG  . HIS A 1 78  ? 10.586 19.247 15.826  1.00 30.51  ? 773  HIS A CG  1 \nATOM   483  N  ND1 . HIS A 1 78  ? 10.166 20.006 16.895  1.00 33.76  ? 773  HIS A ND1 1 \nATOM   484  C  CD2 . HIS A 1 78  ? 9.876  18.101 15.867  1.00 32.33  ? 773  HIS A CD2 1 \nATOM   485  C  CE1 . HIS A 1 78  ? 9.257  19.328 17.576  1.00 32.09  ? 773  HIS A CE1 1 \nATOM   486  N  NE2 . HIS A 1 78  ? 9.066  18.169 16.972  1.00 33.14  ? 773  HIS A NE2 1 \nATOM   487  N  N   . VAL A 1 79  ? 11.534 22.172 12.055  1.00 22.06  ? 774  VAL A N   1 \nATOM   488  C  CA  . VAL A 1 79  ? 12.356 22.824 11.070  1.00 22.22  ? 774  VAL A CA  1 \nATOM   489  C  C   . VAL A 1 79  ? 11.680 24.143 10.708  1.00 20.17  ? 774  VAL A C   1 \nATOM   490  O  O   . VAL A 1 79  ? 10.476 24.165 10.389  1.00 23.89  ? 774  VAL A O   1 \nATOM   491  C  CB  . VAL A 1 79  ? 12.529 21.959 9.804   1.00 23.59  ? 774  VAL A CB  1 \nATOM   492  C  CG1 . VAL A 1 79  ? 13.481 22.641 8.825   1.00 26.58  ? 774  VAL A CG1 1 \nATOM   493  C  CG2 . VAL A 1 79  ? 13.076 20.558 10.163  1.00 24.88  ? 774  VAL A CG2 1 \nATOM   494  N  N   . CYS A 1 80  ? 12.414 25.242 10.843  1.00 23.81  ? 775  CYS A N   1 \nATOM   495  C  CA  . CYS A 1 80  ? 11.913 26.556 10.391  1.00 22.25  ? 775  CYS A CA  1 \nATOM   496  C  C   . CYS A 1 80  ? 11.769 26.585 8.879   1.00 24.37  ? 775  CYS A C   1 \nATOM   497  O  O   . CYS A 1 80  ? 12.459 25.869 8.179   1.00 25.31  ? 775  CYS A O   1 \nATOM   498  C  CB  . CYS A 1 80  ? 12.802 27.689 10.825  1.00 23.15  ? 775  CYS A CB  1 \nATOM   499  S  SG  . CYS A 1 80  ? 12.920 27.902 12.633  1.00 27.78  ? 775  CYS A SG  1 \nATOM   500  N  N   . ARG A 1 81  ? 10.824 27.391 8.397   1.00 25.88  ? 776  ARG A N   1 \nATOM   501  C  CA  . ARG A 1 81  ? 10.556 27.503 6.973   1.00 25.82  ? 776  ARG A CA  1 \nATOM   502  C  C   . ARG A 1 81  ? 10.780 28.965 6.573   1.00 23.41  ? 776  ARG A C   1 \nATOM   503  O  O   . ARG A 1 81  ? 10.435 29.870 7.322   1.00 24.63  ? 776  ARG A O   1 \nATOM   504  C  CB  . ARG A 1 81  ? 9.083  27.118 6.710   1.00 27.15  ? 776  ARG A CB  1 \nATOM   505  C  CG  . ARG A 1 81  ? 8.713  26.920 5.242   1.00 36.24  ? 776  ARG A CG  1 \nATOM   506  C  CD  . ARG A 1 81  ? 7.196  26.635 5.039   1.00 34.99  ? 776  ARG A CD  1 \nATOM   507  N  NE  . ARG A 1 81  ? 6.370  27.842 5.056   1.00 46.30  ? 776  ARG A NE  1 \nATOM   508  C  CZ  . ARG A 1 81  ? 6.257  28.725 4.062   1.00 43.62  ? 776  ARG A CZ  1 \nATOM   509  N  NH1 . ARG A 1 81  ? 6.927  28.584 2.921   1.00 40.95  ? 776  ARG A NH1 1 \nATOM   510  N  NH2 . ARG A 1 81  ? 5.471  29.778 4.216   1.00 50.43  ? 776  ARG A NH2 1 \nATOM   511  N  N   . LEU A 1 82  ? 11.340 29.182 5.388   1.00 24.58  ? 777  LEU A N   1 \nATOM   512  C  CA  . LEU A 1 82  ? 11.434 30.522 4.824   1.00 24.27  ? 777  LEU A CA  1 \nATOM   513  C  C   . LEU A 1 82  ? 10.061 30.922 4.336   1.00 27.46  ? 777  LEU A C   1 \nATOM   514  O  O   . LEU A 1 82  ? 9.396  30.144 3.637   1.00 29.61  ? 777  LEU A O   1 \nATOM   515  C  CB  . LEU A 1 82  ? 12.454 30.569 3.679   1.00 26.64  ? 777  LEU A CB  1 \nATOM   516  C  CG  . LEU A 1 82  ? 13.063 31.890 3.258   1.00 37.50  ? 777  LEU A CG  1 \nATOM   517  C  CD1 . LEU A 1 82  ? 13.924 32.427 4.400   1.00 37.43  ? 777  LEU A CD1 1 \nATOM   518  C  CD2 . LEU A 1 82  ? 13.895 31.657 2.010   1.00 38.61  ? 777  LEU A CD2 1 \nATOM   519  N  N   . LEU A 1 83  ? 9.625  32.120 4.714   1.00 26.19  ? 778  LEU A N   1 \nATOM   520  C  CA  . LEU A 1 83  ? 8.312  32.631 4.289   1.00 28.46  ? 778  LEU A CA  1 \nATOM   521  C  C   . LEU A 1 83  ? 8.435  33.436 3.010   1.00 30.55  ? 778  LEU A C   1 \nATOM   522  O  O   . LEU A 1 83  ? 7.521  33.449 2.164   1.00 32.61  ? 778  LEU A O   1 \nATOM   523  C  CB  . LEU A 1 83  ? 7.727  33.546 5.361   1.00 28.94  ? 778  LEU A CB  1 \nATOM   524  C  CG  . LEU A 1 83  ? 7.402  32.966 6.742   1.00 35.69  ? 778  LEU A CG  1 \nATOM   525  C  CD1 . LEU A 1 83  ? 6.944  34.079 7.652   1.00 37.36  ? 778  LEU A CD1 1 \nATOM   526  C  CD2 . LEU A 1 83  ? 6.330  31.889 6.632   1.00 43.47  ? 778  LEU A CD2 1 \nATOM   527  N  N   . GLY A 1 84  ? 9.548  34.140 2.887   1.00 28.98  ? 779  GLY A N   1 \nATOM   528  C  CA  . GLY A 1 84  ? 9.731  35.051 1.771   1.00 30.39  ? 779  GLY A CA  1 \nATOM   529  C  C   . GLY A 1 84  ? 11.154 35.494 1.592   1.00 28.15  ? 779  GLY A C   1 \nATOM   530  O  O   . GLY A 1 84  ? 12.021 35.240 2.421   1.00 28.15  ? 779  GLY A O   1 \nATOM   531  N  N   . ILE A 1 85  ? 11.384 36.175 0.480   1.00 29.05  ? 780  ILE A N   1 \nATOM   532  C  CA  . ILE A 1 85  ? 12.713 36.626 0.122   1.00 29.58  ? 780  ILE A CA  1 \nATOM   533  C  C   . ILE A 1 85  ? 12.590 37.964 -0.579  1.00 33.48  ? 780  ILE A C   1 \nATOM   534  O  O   . ILE A 1 85  ? 11.603 38.236 -1.275  1.00 34.14  ? 780  ILE A O   1 \nATOM   535  C  CB  . ILE A 1 85  ? 13.436 35.572 -0.759  1.00 29.86  ? 780  ILE A CB  1 \nATOM   536  C  CG1 . ILE A 1 85  ? 14.909 35.925 -0.967  1.00 34.48  ? 780  ILE A CG1 1 \nATOM   537  C  CG2 . ILE A 1 85  ? 12.717 35.387 -2.102  1.00 33.32  ? 780  ILE A CG2 1 \nATOM   538  C  CD1 . ILE A 1 85  ? 15.766 34.744 -1.391  1.00 36.31  ? 780  ILE A CD1 1 \nATOM   539  N  N   . CYS A 1 86  ? 13.592 38.804 -0.363  1.00 33.12  ? 781  CYS A N   1 \nATOM   540  C  CA  . CYS A 1 86  ? 13.692 40.072 -1.059  1.00 38.64  ? 781  CYS A CA  1 \nATOM   541  C  C   . CYS A 1 86  ? 15.101 40.220 -1.621  1.00 39.87  ? 781  CYS A C   1 \nATOM   542  O  O   . CYS A 1 86  ? 16.079 40.281 -0.877  1.00 39.17  ? 781  CYS A O   1 \nATOM   543  C  CB  . CYS A 1 86  ? 13.356 41.227 -0.120  1.00 39.56  ? 781  CYS A CB  1 \nATOM   544  S  SG  . CYS A 1 86  ? 13.381 42.848 -0.940  1.00 44.64  ? 781  CYS A SG  1 \nATOM   545  N  N   . LEU A 1 87  ? 15.195 40.268 -2.948  1.00 43.13  ? 782  LEU A N   1 \nATOM   546  C  CA  . LEU A 1 87  ? 16.483 40.371 -3.619  1.00 48.45  ? 782  LEU A CA  1 \nATOM   547  C  C   . LEU A 1 87  ? 16.662 41.766 -4.203  1.00 51.61  ? 782  LEU A C   1 \nATOM   548  O  O   . LEU A 1 87  ? 16.013 42.124 -5.185  1.00 53.81  ? 782  LEU A O   1 \nATOM   549  C  CB  . LEU A 1 87  ? 16.610 39.312 -4.729  1.00 50.14  ? 782  LEU A CB  1 \nATOM   550  C  CG  . LEU A 1 87  ? 16.580 37.822 -4.367  1.00 51.11  ? 782  LEU A CG  1 \nATOM   551  C  CD1 . LEU A 1 87  ? 16.835 36.985 -5.609  1.00 56.83  ? 782  LEU A CD1 1 \nATOM   552  C  CD2 . LEU A 1 87  ? 17.598 37.479 -3.284  1.00 55.01  ? 782  LEU A CD2 1 \nATOM   553  N  N   . THR A 1 88  ? 17.528 42.550 -3.569  1.00 54.10  ? 783  THR A N   1 \nATOM   554  C  CA  . THR A 1 88  ? 17.919 43.868 -4.067  1.00 58.77  ? 783  THR A CA  1 \nATOM   555  C  C   . THR A 1 88  ? 19.444 43.875 -4.231  1.00 60.87  ? 783  THR A C   1 \nATOM   556  O  O   . THR A 1 88  ? 20.003 42.991 -4.885  1.00 61.10  ? 783  THR A O   1 \nATOM   557  C  CB  . THR A 1 88  ? 17.447 45.011 -3.121  1.00 58.39  ? 783  THR A CB  1 \nATOM   558  O  OG1 . THR A 1 88  ? 18.023 44.837 -1.822  1.00 56.42  ? 783  THR A OG1 1 \nATOM   559  C  CG2 . THR A 1 88  ? 15.921 45.033 -2.998  1.00 56.30  ? 783  THR A CG2 1 \nATOM   560  N  N   . SER A 1 89  ? 20.108 44.859 -3.629  1.00 61.89  ? 784  SER A N   1 \nATOM   561  C  CA  . SER A 1 89  ? 21.565 44.881 -3.535  1.00 63.70  ? 784  SER A CA  1 \nATOM   562  C  C   . SER A 1 89  ? 22.044 43.795 -2.576  1.00 60.28  ? 784  SER A C   1 \nATOM   563  O  O   . SER A 1 89  ? 23.157 43.278 -2.707  1.00 59.89  ? 784  SER A O   1 \nATOM   564  C  CB  . SER A 1 89  ? 22.038 46.246 -3.038  1.00 66.18  ? 784  SER A CB  1 \nATOM   565  O  OG  . SER A 1 89  ? 21.306 47.290 -3.658  1.00 73.25  ? 784  SER A OG  1 \nATOM   566  N  N   . THR A 1 90  ? 21.188 43.469 -1.608  1.00 56.25  ? 785  THR A N   1 \nATOM   567  C  CA  . THR A 1 90  ? 21.442 42.410 -0.641  1.00 54.13  ? 785  THR A CA  1 \nATOM   568  C  C   . THR A 1 90  ? 20.399 41.310 -0.768  1.00 50.11  ? 785  THR A C   1 \nATOM   569  O  O   . THR A 1 90  ? 19.349 41.492 -1.398  1.00 51.30  ? 785  THR A O   1 \nATOM   570  C  CB  . THR A 1 90  ? 21.347 42.931 0.804   1.00 51.99  ? 785  THR A CB  1 \nATOM   571  O  OG1 . THR A 1 90  ? 20.033 43.462 1.027   1.00 54.16  ? 785  THR A OG1 1 \nATOM   572  C  CG2 . THR A 1 90  ? 22.399 44.010 1.080   1.00 53.56  ? 785  THR A CG2 1 \nATOM   573  N  N   . VAL A 1 91  ? 20.692 40.171 -0.153  1.00 46.27  ? 786  VAL A N   1 \nATOM   574  C  CA  . VAL A 1 91  ? 19.720 39.106 -0.006  1.00 42.06  ? 786  VAL A CA  1 \nATOM   575  C  C   . VAL A 1 91  ? 19.116 39.271 1.389   1.00 37.90  ? 786  VAL A C   1 \nATOM   576  O  O   . VAL A 1 91  ? 19.850 39.337 2.379   1.00 40.99  ? 786  VAL A O   1 \nATOM   577  C  CB  . VAL A 1 91  ? 20.377 37.710 -0.141  1.00 43.34  ? 786  VAL A CB  1 \nATOM   578  C  CG1 . VAL A 1 91  ? 19.344 36.600 0.033   1.00 44.70  ? 786  VAL A CG1 1 \nATOM   579  C  CG2 . VAL A 1 91  ? 21.066 37.564 -1.500  1.00 48.82  ? 786  VAL A CG2 1 \nATOM   580  N  N   . GLN A 1 92  ? 17.793 39.379 1.452   1.00 35.43  ? 787  GLN A N   1 \nATOM   581  C  CA  . GLN A 1 92  ? 17.077 39.356 2.733   1.00 33.63  ? 787  GLN A CA  1 \nATOM   582  C  C   . GLN A 1 92  ? 16.128 38.161 2.787   1.00 32.64  ? 787  GLN A C   1 \nATOM   583  O  O   . GLN A 1 92  ? 15.336 37.942 1.863   1.00 33.78  ? 787  GLN A O   1 \nATOM   584  C  CB  . GLN A 1 92  ? 16.300 40.653 2.958   1.00 34.08  ? 787  GLN A CB  1 \nATOM   585  C  CG  . GLN A 1 92  ? 17.177 41.856 3.212   1.00 38.85  ? 787  GLN A CG  1 \nATOM   586  C  CD  . GLN A 1 92  ? 16.383 43.131 3.408   1.00 42.90  ? 787  GLN A CD  1 \nATOM   587  O  OE1 . GLN A 1 92  ? 16.084 43.521 4.539   1.00 39.70  ? 787  GLN A OE1 1 \nATOM   588  N  NE2 . GLN A 1 92  ? 16.047 43.792 2.312   1.00 41.09  ? 787  GLN A NE2 1 \nATOM   589  N  N   . LEU A 1 93  ? 16.216 37.399 3.877   1.00 27.83  ? 788  LEU A N   1 \nATOM   590  C  CA  . LEU A 1 93  ? 15.415 36.202 4.084   1.00 29.05  ? 788  LEU A CA  1 \nATOM   591  C  C   . LEU A 1 93  ? 14.410 36.499 5.192   1.00 26.95  ? 788  LEU A C   1 \nATOM   592  O  O   . LEU A 1 93  ? 14.792 37.053 6.216   1.00 27.03  ? 788  LEU A O   1 \nATOM   593  C  CB  . LEU A 1 93  ? 16.314 35.031 4.495   1.00 28.96  ? 788  LEU A CB  1 \nATOM   594  C  CG  . LEU A 1 93  ? 17.497 34.697 3.575   1.00 32.14  ? 788  LEU A CG  1 \nATOM   595  C  CD1 . LEU A 1 93  ? 18.317 33.573 4.169   1.00 36.10  ? 788  LEU A CD1 1 \nATOM   596  C  CD2 . LEU A 1 93  ? 17.028 34.337 2.158   1.00 33.49  ? 788  LEU A CD2 1 \nATOM   597  N  N   . ILE A 1 94  ? 13.142 36.158 4.972   1.00 26.38  ? 789  ILE A N   1 \nATOM   598  C  CA  . ILE A 1 94  ? 12.074 36.467 5.925   1.00 24.82  ? 789  ILE A CA  1 \nATOM   599  C  C   . ILE A 1 94  ? 11.460 35.178 6.437   1.00 22.67  ? 789  ILE A C   1 \nATOM   600  O  O   . ILE A 1 94  ? 11.146 34.284 5.653   1.00 23.07  ? 789  ILE A O   1 \nATOM   601  C  CB  . ILE A 1 94  ? 10.967 37.363 5.298   1.00 27.08  ? 789  ILE A CB  1 \nATOM   602  C  CG1 . ILE A 1 94  ? 11.517 38.746 4.924   1.00 29.94  ? 789  ILE A CG1 1 \nATOM   603  C  CG2 . ILE A 1 94  ? 9.819  37.569 6.280   1.00 27.16  ? 789  ILE A CG2 1 \nATOM   604  C  CD1 . ILE A 1 94  ? 12.047 38.835 3.512   1.00 37.30  ? 789  ILE A CD1 1 \nATOM   605  N  N   . THR A 1 95  ? 11.330 35.078 7.754   1.00 23.29  ? 790  THR A N   1 \nATOM   606  C  CA  . THR A 1 95  ? 10.838 33.853 8.375   1.00 23.84  ? 790  THR A CA  1 \nATOM   607  C  C   . THR A 1 95  ? 10.042 34.211 9.609   1.00 23.41  ? 790  THR A C   1 \nATOM   608  O  O   . THR A 1 95  ? 10.178 35.325 10.124  1.00 23.92  ? 790  THR A O   1 \nATOM   609  C  CB  . THR A 1 95  ? 12.007 32.897 8.750   1.00 26.09  ? 790  THR A CB  1 \nATOM   610  O  OG1 . THR A 1 95  ? 11.467 31.629 9.124   1.00 27.25  ? 790  THR A OG1 1 \nATOM   611  C  CG2 . THR A 1 95  ? 12.875 33.449 9.914   1.00 22.15  ? 790  THR A CG2 1 \nATOM   612  N  N   . GLN A 1 96  ? 9.257  33.262 10.114  1.00 23.32  ? 791  GLN A N   1 \nATOM   613  C  CA  . GLN A 1 96  ? 8.478  33.512 11.328  1.00 25.58  ? 791  GLN A CA  1 \nATOM   614  C  C   . GLN A 1 96  ? 9.374  33.823 12.524  1.00 23.38  ? 791  GLN A C   1 \nATOM   615  O  O   . GLN A 1 96  ? 10.386 33.161 12.758  1.00 25.63  ? 791  GLN A O   1 \nATOM   616  C  CB  . GLN A 1 96  ? 7.578  32.320 11.657  1.00 28.83  ? 791  GLN A CB  1 \nATOM   617  C  CG  . GLN A 1 96  ? 6.823  32.484 12.956  1.00 30.93  ? 791  GLN A CG  1 \nATOM   618  C  CD  . GLN A 1 96  ? 5.864  31.337 13.238  1.00 40.85  ? 791  GLN A CD  1 \nATOM   619  O  OE1 . GLN A 1 96  ? 5.878  30.306 12.557  1.00 42.28  ? 791  GLN A OE1 1 \nATOM   620  N  NE2 . GLN A 1 96  ? 5.040  31.506 14.265  1.00 38.44  ? 791  GLN A NE2 1 \nATOM   621  N  N   . LEU A 1 97  ? 9.008  34.851 13.288  1.00 22.32  ? 792  LEU A N   1 \nATOM   622  C  CA  . LEU A 1 97  ? 9.760  35.179 14.497  1.00 22.54  ? 792  LEU A CA  1 \nATOM   623  C  C   . LEU A 1 97  ? 9.561  34.123 15.579  1.00 26.72  ? 792  LEU A C   1 \nATOM   624  O  O   . LEU A 1 97  ? 8.429  33.725 15.874  1.00 28.37  ? 792  LEU A O   1 \nATOM   625  C  CB  . LEU A 1 97  ? 9.347  36.566 15.007  1.00 24.81  ? 792  LEU A CB  1 \nATOM   626  C  CG  . LEU A 1 97  ? 10.103 37.108 16.218  1.00 25.02  ? 792  LEU A CG  1 \nATOM   627  C  CD1 . LEU A 1 97  ? 11.580 37.392 15.876  1.00 25.39  ? 792  LEU A CD1 1 \nATOM   628  C  CD2 . LEU A 1 97  ? 9.411  38.378 16.756  1.00 29.92  ? 792  LEU A CD2 1 \nATOM   629  N  N   . MET A 1 98  ? 10.667 33.654 16.145  1.00 23.96  ? 793  MET A N   1 \nATOM   630  C  CA  . MET A 1 98  ? 10.619 32.683 17.233  1.00 25.50  ? 793  MET A CA  1 \nATOM   631  C  C   . MET A 1 98  ? 10.825 33.443 18.522  1.00 24.19  ? 793  MET A C   1 \nATOM   632  O  O   . MET A 1 98  ? 11.939 33.910 18.809  1.00 25.47  ? 793  MET A O   1 \nATOM   633  C  CB  . MET A 1 98  ? 11.700 31.631 17.042  1.00 24.10  ? 793  MET A CB  1 \nATOM   634  C  CG  . MET A 1 98  ? 11.582 30.834 15.739  1.00 25.93  ? 793  MET A CG  1 \nATOM   635  S  SD  . MET A 1 98  ? 10.237 29.642 15.891  1.00 32.17  ? 793  MET A SD  1 \nATOM   636  C  CE  . MET A 1 98  ? 9.053  30.271 14.709  1.00 37.85  ? 793  MET A CE  1 \nATOM   637  N  N   . PRO A 1 99  ? 9.754  33.584 19.306  1.00 33.86  ? 794  PRO A N   1 \nATOM   638  C  CA  . PRO A 1 99  ? 9.768  34.671 20.287  1.00 33.40  ? 794  PRO A CA  1 \nATOM   639  C  C   . PRO A 1 99  ? 10.594 34.414 21.551  1.00 30.27  ? 794  PRO A C   1 \nATOM   640  O  O   . PRO A 1 99  ? 10.743 35.321 22.362  1.00 32.17  ? 794  PRO A O   1 \nATOM   641  C  CB  . PRO A 1 99  ? 8.283  34.880 20.617  1.00 37.76  ? 794  PRO A CB  1 \nATOM   642  C  CG  . PRO A 1 99  ? 7.622  33.580 20.284  1.00 33.90  ? 794  PRO A CG  1 \nATOM   643  C  CD  . PRO A 1 99  ? 8.454  32.891 19.229  1.00 36.65  ? 794  PRO A CD  1 \nATOM   644  N  N   . PHE A 1 100 ? 11.121 33.205 21.715  1.00 28.20  ? 795  PHE A N   1 \nATOM   645  C  CA  . PHE A 1 100 ? 12.014 32.903 22.839  1.00 27.86  ? 795  PHE A CA  1 \nATOM   646  C  C   . PHE A 1 100 ? 13.496 32.888 22.440  1.00 28.38  ? 795  PHE A C   1 \nATOM   647  O  O   . PHE A 1 100 ? 14.368 32.625 23.275  1.00 29.19  ? 795  PHE A O   1 \nATOM   648  C  CB  . PHE A 1 100 ? 11.625 31.587 23.522  1.00 27.14  ? 795  PHE A CB  1 \nATOM   649  C  CG  . PHE A 1 100 ? 10.336 31.658 24.293  1.00 29.88  ? 795  PHE A CG  1 \nATOM   650  C  CD1 . PHE A 1 100 ? 9.115  31.419 23.661  1.00 30.19  ? 795  PHE A CD1 1 \nATOM   651  C  CD2 . PHE A 1 100 ? 10.343 31.982 25.653  1.00 32.25  ? 795  PHE A CD2 1 \nATOM   652  C  CE1 . PHE A 1 100 ? 7.913  31.494 24.375  1.00 35.17  ? 795  PHE A CE1 1 \nATOM   653  C  CE2 . PHE A 1 100 ? 9.153  32.070 26.377  1.00 36.45  ? 795  PHE A CE2 1 \nATOM   654  C  CZ  . PHE A 1 100 ? 7.932  31.838 25.738  1.00 37.76  ? 795  PHE A CZ  1 \nATOM   655  N  N   . GLY A 1 101 ? 13.782 33.182 21.176  1.00 27.34  ? 796  GLY A N   1 \nATOM   656  C  CA  . GLY A 1 101 ? 15.172 33.287 20.719  1.00 25.71  ? 796  GLY A CA  1 \nATOM   657  C  C   . GLY A 1 101 ? 15.881 31.975 20.490  1.00 27.39  ? 796  GLY A C   1 \nATOM   658  O  O   . GLY A 1 101 ? 15.242 30.923 20.328  1.00 27.07  ? 796  GLY A O   1 \nATOM   659  N  N   . CYS A 1 102 ? 17.209 32.028 20.453  1.00 25.45  ? 797  CYS A N   1 \nATOM   660  C  CA  . CYS A 1 102 ? 17.959 30.806 20.167  1.00 26.28  ? 797  CYS A CA  1 \nATOM   661  C  C   . CYS A 1 102 ? 18.176 29.952 21.404  1.00 25.75  ? 797  CYS A C   1 \nATOM   662  O  O   . CYS A 1 102 ? 18.187 30.443 22.537  1.00 24.51  ? 797  CYS A O   1 \nATOM   663  C  CB  . CYS A 1 102 ? 19.286 31.105 19.473  1.00 30.39  ? 797  CYS A CB  1 \nATOM   664  S  SG  . CYS A 1 102 ? 20.507 31.826 20.546  1.00 38.00  ? 797  CYS A SG  1 \nATOM   665  N  N   . LEU A 1 103 ? 18.329 28.649 21.164  1.00 25.54  ? 798  LEU A N   1 \nATOM   666  C  CA  . LEU A 1 103 ? 18.449 27.684 22.254  1.00 24.23  ? 798  LEU A CA  1 \nATOM   667  C  C   . LEU A 1 103 ? 19.737 27.816 23.050  1.00 22.90  ? 798  LEU A C   1 \nATOM   668  O  O   . LEU A 1 103 ? 19.730 27.569 24.263  1.00 25.28  ? 798  LEU A O   1 \nATOM   669  C  CB  . LEU A 1 103 ? 18.278 26.259 21.720  1.00 23.57  ? 798  LEU A CB  1 \nATOM   670  C  CG  . LEU A 1 103 ? 18.102 25.136 22.744  1.00 22.46  ? 798  LEU A CG  1 \nATOM   671  C  CD1 . LEU A 1 103 ? 16.980 25.365 23.749  1.00 26.39  ? 798  LEU A CD1 1 \nATOM   672  C  CD2 . LEU A 1 103 ? 17.926 23.804 21.977  1.00 26.77  ? 798  LEU A CD2 1 \nATOM   673  N  N   . LEU A 1 104 ? 20.818 28.248 22.400  1.00 25.44  ? 799  LEU A N   1 \nATOM   674  C  CA  . LEU A 1 104 ? 22.091 28.419 23.100  1.00 25.93  ? 799  LEU A CA  1 \nATOM   675  C  C   . LEU A 1 104 ? 21.927 29.463 24.210  1.00 27.02  ? 799  LEU A C   1 \nATOM   676  O  O   . LEU A 1 104 ? 22.253 29.198 25.362  1.00 28.37  ? 799  LEU A O   1 \nATOM   677  C  CB  . LEU A 1 104 ? 23.204 28.859 22.145  1.00 25.14  ? 799  LEU A CB  1 \nATOM   678  C  CG  . LEU A 1 104 ? 24.568 29.095 22.801  1.00 28.66  ? 799  LEU A CG  1 \nATOM   679  C  CD1 . LEU A 1 104 ? 25.035 27.834 23.541  1.00 26.89  ? 799  LEU A CD1 1 \nATOM   680  C  CD2 . LEU A 1 104 ? 25.567 29.526 21.750  1.00 28.31  ? 799  LEU A CD2 1 \nATOM   681  N  N   . ASP A 1 105 ? 21.418 30.639 23.846  1.00 27.04  ? 800  ASP A N   1 \nATOM   682  C  CA  . ASP A 1 105 ? 21.181 31.705 24.839  1.00 29.62  ? 800  ASP A CA  1 \nATOM   683  C  C   . ASP A 1 105 ? 20.190 31.227 25.878  1.00 28.59  ? 800  ASP A C   1 \nATOM   684  O  O   . ASP A 1 105 ? 20.344 31.490 27.077  1.00 29.60  ? 800  ASP A O   1 \nATOM   685  C  CB  . ASP A 1 105 ? 20.626 32.965 24.167  1.00 29.74  ? 800  ASP A CB  1 \nATOM   686  C  CG  . ASP A 1 105 ? 21.652 33.673 23.303  1.00 40.85  ? 800  ASP A CG  1 \nATOM   687  O  OD1 . ASP A 1 105 ? 21.231 34.494 22.453  1.00 49.45  ? 800  ASP A OD1 1 \nATOM   688  O  OD2 . ASP A 1 105 ? 22.866 33.411 23.465  1.00 49.78  ? 800  ASP A OD2 1 \nATOM   689  N  N   . TYR A 1 106 ? 19.160 30.528 25.415  1.00 28.25  ? 801  TYR A N   1 \nATOM   690  C  CA  . TYR A 1 106 ? 18.133 30.007 26.304  1.00 29.05  ? 801  TYR A CA  1 \nATOM   691  C  C   . TYR A 1 106 ? 18.702 29.096 27.411  1.00 27.56  ? 801  TYR A C   1 \nATOM   692  O  O   . TYR A 1 106 ? 18.389 29.284 28.606  1.00 28.77  ? 801  TYR A O   1 \nATOM   693  C  CB  . TYR A 1 106 ? 17.029 29.298 25.521  1.00 29.37  ? 801  TYR A CB  1 \nATOM   694  C  CG  . TYR A 1 106 ? 15.810 29.043 26.370  1.00 31.50  ? 801  TYR A CG  1 \nATOM   695  C  CD1 . TYR A 1 106 ? 15.695 27.866 27.130  1.00 32.65  ? 801  TYR A CD1 1 \nATOM   696  C  CD2 . TYR A 1 106 ? 14.781 29.981 26.440  1.00 31.89  ? 801  TYR A CD2 1 \nATOM   697  C  CE1 . TYR A 1 106 ? 14.597 27.629 27.917  1.00 32.01  ? 801  TYR A CE1 1 \nATOM   698  C  CE2 . TYR A 1 106 ? 13.673 29.757 27.224  1.00 32.81  ? 801  TYR A CE2 1 \nATOM   699  C  CZ  . TYR A 1 106 ? 13.584 28.585 27.971  1.00 34.18  ? 801  TYR A CZ  1 \nATOM   700  O  OH  . TYR A 1 106 ? 12.478 28.384 28.757  1.00 37.43  ? 801  TYR A OH  1 \nATOM   701  N  N   . VAL A 1 107 ? 19.561 28.148 27.034  1.00 28.02  ? 802  VAL A N   1 \nATOM   702  C  CA  . VAL A 1 107 ? 20.131 27.262 28.061  1.00 29.07  ? 802  VAL A CA  1 \nATOM   703  C  C   . VAL A 1 107 ? 21.117 27.970 28.995  1.00 32.00  ? 802  VAL A C   1 \nATOM   704  O  O   . VAL A 1 107 ? 21.211 27.634 30.176  1.00 33.14  ? 802  VAL A O   1 \nATOM   705  C  CB  . VAL A 1 107 ? 20.749 25.942 27.495  1.00 28.16  ? 802  VAL A CB  1 \nATOM   706  C  CG1 . VAL A 1 107 ? 19.692 25.158 26.733  1.00 29.08  ? 802  VAL A CG1 1 \nATOM   707  C  CG2 . VAL A 1 107 ? 21.966 26.213 26.630  1.00 27.34  ? 802  VAL A CG2 1 \nATOM   708  N  N   . ARG A 1 108 ? 21.819 28.971 28.473  1.00 31.40  ? 803  ARG A N   1 \nATOM   709  C  CA  . ARG A 1 108 ? 22.727 29.765 29.294  1.00 32.81  ? 803  ARG A CA  1 \nATOM   710  C  C   . ARG A 1 108 ? 21.954 30.601 30.311  1.00 35.16  ? 803  ARG A C   1 \nATOM   711  O  O   . ARG A 1 108 ? 22.388 30.760 31.465  1.00 34.83  ? 803  ARG A O   1 \nATOM   712  C  CB  . ARG A 1 108 ? 23.586 30.670 28.414  1.00 32.25  ? 803  ARG A CB  1 \nATOM   713  C  CG  . ARG A 1 108 ? 24.618 29.928 27.575  1.00 32.89  ? 803  ARG A CG  1 \nATOM   714  C  CD  . ARG A 1 108 ? 25.336 30.889 26.653  1.00 34.30  ? 803  ARG A CD  1 \nATOM   715  N  NE  . ARG A 1 108 ? 26.472 30.256 25.989  1.00 31.14  ? 803  ARG A NE  1 \nATOM   716  C  CZ  . ARG A 1 108 ? 27.187 30.810 25.018  1.00 32.07  ? 803  ARG A CZ  1 \nATOM   717  N  NH1 . ARG A 1 108 ? 26.880 32.030 24.567  1.00 35.55  ? 803  ARG A NH1 1 \nATOM   718  N  NH2 . ARG A 1 108 ? 28.217 30.149 24.497  1.00 30.29  ? 803  ARG A NH2 1 \nATOM   719  N  N   . GLU A 1 109 ? 20.794 31.106 29.894  1.00 33.55  ? 804  GLU A N   1 \nATOM   720  C  CA  . GLU A 1 109 ? 20.008 32.006 30.739  1.00 37.44  ? 804  GLU A CA  1 \nATOM   721  C  C   . GLU A 1 109 ? 19.162 31.287 31.778  1.00 35.79  ? 804  GLU A C   1 \nATOM   722  O  O   . GLU A 1 109 ? 18.917 31.819 32.868  1.00 37.86  ? 804  GLU A O   1 \nATOM   723  C  CB  . GLU A 1 109 ? 19.144 32.944 29.884  1.00 39.81  ? 804  GLU A CB  1 \nATOM   724  C  CG  . GLU A 1 109 ? 19.962 33.989 29.123  1.00 46.29  ? 804  GLU A CG  1 \nATOM   725  C  CD  . GLU A 1 109 ? 20.899 34.780 30.032  1.00 55.97  ? 804  GLU A CD  1 \nATOM   726  O  OE1 . GLU A 1 109 ? 22.091 34.927 29.680  1.00 59.29  ? 804  GLU A OE1 1 \nATOM   727  O  OE2 . GLU A 1 109 ? 20.446 35.238 31.108  1.00 51.72  ? 804  GLU A OE2 1 \nATOM   728  N  N   . HIS A 1 110 ? 18.752 30.064 31.456  1.00 32.54  ? 805  HIS A N   1 \nATOM   729  C  CA  . HIS A 1 110 ? 17.865 29.293 32.324  1.00 34.61  ? 805  HIS A CA  1 \nATOM   730  C  C   . HIS A 1 110 ? 18.507 28.051 32.926  1.00 34.07  ? 805  HIS A C   1 \nATOM   731  O  O   . HIS A 1 110 ? 17.799 27.124 33.325  1.00 35.94  ? 805  HIS A O   1 \nATOM   732  C  CB  . HIS A 1 110 ? 16.608 28.905 31.555  1.00 32.72  ? 805  HIS A CB  1 \nATOM   733  C  CG  . HIS A 1 110 ? 15.843 30.079 31.047  1.00 36.01  ? 805  HIS A CG  1 \nATOM   734  N  ND1 . HIS A 1 110 ? 16.125 30.685 29.844  1.00 39.54  ? 805  HIS A ND1 1 \nATOM   735  C  CD2 . HIS A 1 110 ? 14.831 30.786 31.602  1.00 40.85  ? 805  HIS A CD2 1 \nATOM   736  C  CE1 . HIS A 1 110 ? 15.304 31.705 29.669  1.00 41.72  ? 805  HIS A CE1 1 \nATOM   737  N  NE2 . HIS A 1 110 ? 14.508 31.784 30.719  1.00 42.03  ? 805  HIS A NE2 1 \nATOM   738  N  N   . LYS A 1 111 ? 19.835 28.052 33.022  1.00 37.29  ? 806  LYS A N   1 \nATOM   739  C  CA  . LYS A 1 111 ? 20.600 26.893 33.501  1.00 39.82  ? 806  LYS A CA  1 \nATOM   740  C  C   . LYS A 1 111 ? 20.160 26.330 34.856  1.00 43.21  ? 806  LYS A C   1 \nATOM   741  O  O   . LYS A 1 111 ? 20.393 25.150 35.133  1.00 45.07  ? 806  LYS A O   1 \nATOM   742  C  CB  . LYS A 1 111 ? 22.102 27.210 33.541  1.00 41.14  ? 806  LYS A CB  1 \nATOM   743  C  CG  . LYS A 1 111 ? 22.491 28.434 34.370  1.00 53.15  ? 806  LYS A CG  1 \nATOM   744  C  CD  . LYS A 1 111 ? 23.829 28.242 35.095  1.00 62.82  ? 806  LYS A CD  1 \nATOM   745  C  CE  . LYS A 1 111 ? 25.004 28.033 34.132  1.00 65.21  ? 806  LYS A CE  1 \nATOM   746  N  NZ  . LYS A 1 111 ? 25.294 29.237 33.297  1.00 70.09  ? 806  LYS A NZ  1 \nATOM   747  N  N   . ASP A 1 112 ? 19.539 27.168 35.690  1.00 42.31  ? 807  ASP A N   1 \nATOM   748  C  CA  . ASP A 1 112 ? 19.093 26.743 37.027  1.00 45.05  ? 807  ASP A CA  1 \nATOM   749  C  C   . ASP A 1 112 ? 17.665 26.188 37.059  1.00 43.68  ? 807  ASP A C   1 \nATOM   750  O  O   . ASP A 1 112 ? 17.215 25.672 38.090  1.00 45.33  ? 807  ASP A O   1 \nATOM   751  C  CB  . ASP A 1 112 ? 19.225 27.901 38.029  1.00 49.01  ? 807  ASP A CB  1 \nATOM   752  C  CG  . ASP A 1 112 ? 20.662 28.383 38.191  1.00 55.12  ? 807  ASP A CG  1 \nATOM   753  O  OD1 . ASP A 1 112 ? 21.600 27.555 38.101  1.00 53.47  ? 807  ASP A OD1 1 \nATOM   754  O  OD2 . ASP A 1 112 ? 20.847 29.599 38.418  1.00 59.87  ? 807  ASP A OD2 1 \nATOM   755  N  N   . ASN A 1 113 ? 16.953 26.300 35.938  1.00 42.43  ? 808  ASN A N   1 \nATOM   756  C  CA  . ASN A 1 113 ? 15.590 25.779 35.841  1.00 40.35  ? 808  ASN A CA  1 \nATOM   757  C  C   . ASN A 1 113 ? 15.311 24.827 34.682  1.00 38.19  ? 808  ASN A C   1 \nATOM   758  O  O   . ASN A 1 113 ? 14.152 24.565 34.359  1.00 39.74  ? 808  ASN A O   1 \nATOM   759  C  CB  . ASN A 1 113 ? 14.584 26.923 35.826  1.00 42.28  ? 808  ASN A CB  1 \nATOM   760  C  CG  . ASN A 1 113 ? 14.262 27.415 37.211  1.00 48.81  ? 808  ASN A CG  1 \nATOM   761  O  OD1 . ASN A 1 113 ? 13.569 26.741 37.979  1.00 51.70  ? 808  ASN A OD1 1 \nATOM   762  N  ND2 . ASN A 1 113 ? 14.779 28.585 37.552  1.00 54.10  ? 808  ASN A ND2 1 \nATOM   763  N  N   . ILE A 1 114 ? 16.365 24.297 34.069  1.00 37.05  ? 809  ILE A N   1 \nATOM   764  C  CA  . ILE A 1 114 ? 16.191 23.315 33.001  1.00 33.47  ? 809  ILE A CA  1 \nATOM   765  C  C   . ILE A 1 114 ? 16.416 21.903 33.561  1.00 35.25  ? 809  ILE A C   1 \nATOM   766  O  O   . ILE A 1 114 ? 17.512 21.566 34.028  1.00 37.28  ? 809  ILE A O   1 \nATOM   767  C  CB  . ILE A 1 114 ? 17.108 23.599 31.810  1.00 31.71  ? 809  ILE A CB  1 \nATOM   768  C  CG1 . ILE A 1 114 ? 16.697 24.896 31.098  1.00 31.26  ? 809  ILE A CG1 1 \nATOM   769  C  CG2 . ILE A 1 114 ? 17.072 22.438 30.816  1.00 32.33  ? 809  ILE A CG2 1 \nATOM   770  C  CD1 . ILE A 1 114 ? 17.750 25.431 30.153  1.00 34.22  ? 809  ILE A CD1 1 \nATOM   771  N  N   . GLY A 1 115 ? 15.360 21.099 33.527  1.00 33.64  ? 810  GLY A N   1 \nATOM   772  C  CA  . GLY A 1 115 ? 15.418 19.729 34.022  1.00 33.42  ? 810  GLY A CA  1 \nATOM   773  C  C   . GLY A 1 115 ? 15.725 18.703 32.951  1.00 32.40  ? 810  GLY A C   1 \nATOM   774  O  O   . GLY A 1 115 ? 15.835 19.041 31.768  1.00 32.36  ? 810  GLY A O   1 \nATOM   775  N  N   . SER A 1 116 ? 15.866 17.448 33.381  1.00 30.91  ? 811  SER A N   1 \nATOM   776  C  CA  . SER A 1 116 ? 16.227 16.346 32.481  1.00 28.92  ? 811  SER A CA  1 \nATOM   777  C  C   . SER A 1 116 ? 15.202 16.116 31.373  1.00 30.00  ? 811  SER A C   1 \nATOM   778  O  O   . SER A 1 116 ? 15.577 15.796 30.234  1.00 27.56  ? 811  SER A O   1 \nATOM   779  C  CB  . SER A 1 116 ? 16.465 15.055 33.265  1.00 30.85  ? 811  SER A CB  1 \nATOM   780  O  OG  . SER A 1 116 ? 15.335 14.716 34.043  1.00 33.55  ? 811  SER A OG  1 \nATOM   781  N  N   . GLN A 1 117 ? 13.919 16.270 31.707  1.00 29.98  ? 812  GLN A N   1 \nATOM   782  C  CA  . GLN A 1 117 ? 12.857 16.031 30.729  1.00 32.35  ? 812  GLN A CA  1 \nATOM   783  C  C   . GLN A 1 117 ? 12.996 16.961 29.523  1.00 29.01  ? 812  GLN A C   1 \nATOM   784  O  O   . GLN A 1 117 ? 12.902 16.516 28.363  1.00 28.52  ? 812  GLN A O   1 \nATOM   785  C  CB  . GLN A 1 117 ? 11.469 16.178 31.367  1.00 33.57  ? 812  GLN A CB  1 \nATOM   786  C  CG  . GLN A 1 117 ? 10.326 15.740 30.447  1.00 37.81  ? 812  GLN A CG  1 \nATOM   787  C  CD  . GLN A 1 117 ? 10.287 14.237 30.241  1.00 40.14  ? 812  GLN A CD  1 \nATOM   788  O  OE1 . GLN A 1 117 ? 9.970  13.487 31.159  1.00 39.21  ? 812  GLN A OE1 1 \nATOM   789  N  NE2 . GLN A 1 117 ? 10.615 13.790 29.030  1.00 38.47  ? 812  GLN A NE2 1 \nATOM   790  N  N   . TYR A 1 118 ? 13.228 18.244 29.805  1.00 27.37  ? 813  TYR A N   1 \nATOM   791  C  CA  . TYR A 1 118 ? 13.362 19.254 28.751  1.00 28.86  ? 813  TYR A CA  1 \nATOM   792  C  C   . TYR A 1 118 ? 14.575 19.009 27.863  1.00 25.82  ? 813  TYR A C   1 \nATOM   793  O  O   . TYR A 1 118 ? 14.462 19.044 26.624  1.00 27.07  ? 813  TYR A O   1 \nATOM   794  C  CB  . TYR A 1 118 ? 13.431 20.660 29.356  1.00 32.24  ? 813  TYR A CB  1 \nATOM   795  C  CG  . TYR A 1 118 ? 12.071 21.255 29.643  1.00 39.28  ? 813  TYR A CG  1 \nATOM   796  C  CD1 . TYR A 1 118 ? 11.457 22.113 28.726  1.00 41.23  ? 813  TYR A CD1 1 \nATOM   797  C  CD2 . TYR A 1 118 ? 11.390 20.949 30.824  1.00 44.80  ? 813  TYR A CD2 1 \nATOM   798  C  CE1 . TYR A 1 118 ? 10.197 22.659 28.986  1.00 47.57  ? 813  TYR A CE1 1 \nATOM   799  C  CE2 . TYR A 1 118 ? 10.132 21.490 31.091  1.00 51.31  ? 813  TYR A CE2 1 \nATOM   800  C  CZ  . TYR A 1 118 ? 9.544  22.340 30.165  1.00 50.19  ? 813  TYR A CZ  1 \nATOM   801  O  OH  . TYR A 1 118 ? 8.304  22.874 30.423  1.00 51.79  ? 813  TYR A OH  1 \nATOM   802  N  N   . LEU A 1 119 ? 15.725 18.759 28.482  1.00 26.45  ? 814  LEU A N   1 \nATOM   803  C  CA  . LEU A 1 119 ? 16.942 18.514 27.706  1.00 24.00  ? 814  LEU A CA  1 \nATOM   804  C  C   . LEU A 1 119 ? 16.776 17.331 26.770  1.00 24.29  ? 814  LEU A C   1 \nATOM   805  O  O   . LEU A 1 119 ? 17.145 17.410 25.591  1.00 23.00  ? 814  LEU A O   1 \nATOM   806  C  CB  . LEU A 1 119 ? 18.171 18.310 28.610  1.00 25.75  ? 814  LEU A CB  1 \nATOM   807  C  CG  . LEU A 1 119 ? 18.643 19.586 29.299  1.00 26.54  ? 814  LEU A CG  1 \nATOM   808  C  CD1 . LEU A 1 119 ? 19.416 19.226 30.562  1.00 29.00  ? 814  LEU A CD1 1 \nATOM   809  C  CD2 . LEU A 1 119 ? 19.470 20.463 28.347  1.00 28.37  ? 814  LEU A CD2 1 \nATOM   810  N  N   . LEU A 1 120 ? 16.216 16.236 27.279  1.00 25.07  ? 815  LEU A N   1 \nATOM   811  C  CA  . LEU A 1 120 ? 16.065 15.035 26.439  1.00 24.06  ? 815  LEU A CA  1 \nATOM   812  C  C   . LEU A 1 120 ? 15.025 15.236 25.334  1.00 23.40  ? 815  LEU A C   1 \nATOM   813  O  O   . LEU A 1 120 ? 15.227 14.794 24.203  1.00 24.34  ? 815  LEU A O   1 \nATOM   814  C  CB  . LEU A 1 120 ? 15.779 13.790 27.281  1.00 25.91  ? 815  LEU A CB  1 \nATOM   815  C  CG  . LEU A 1 120 ? 16.960 13.433 28.201  1.00 25.87  ? 815  LEU A CG  1 \nATOM   816  C  CD1 . LEU A 1 120 ? 16.536 12.447 29.264  1.00 26.89  ? 815  LEU A CD1 1 \nATOM   817  C  CD2 . LEU A 1 120 ? 18.169 12.885 27.425  1.00 24.93  ? 815  LEU A CD2 1 \nATOM   818  N  N   . ASN A 1 121 ? 13.936 15.928 25.647  1.00 24.46  ? 816  ASN A N   1 \nATOM   819  C  CA  . ASN A 1 121 ? 12.956 16.227 24.608  1.00 24.61  ? 816  ASN A CA  1 \nATOM   820  C  C   . ASN A 1 121 ? 13.528 17.110 23.506  1.00 23.09  ? 816  ASN A C   1 \nATOM   821  O  O   . ASN A 1 121 ? 13.223 16.899 22.329  1.00 24.15  ? 816  ASN A O   1 \nATOM   822  C  CB  . ASN A 1 121 ? 11.731 16.905 25.196  1.00 26.26  ? 816  ASN A CB  1 \nATOM   823  C  CG  . ASN A 1 121 ? 10.845 15.959 25.999  1.00 32.71  ? 816  ASN A CG  1 \nATOM   824  O  OD1 . ASN A 1 121 ? 11.022 14.743 25.997  1.00 37.02  ? 816  ASN A OD1 1 \nATOM   825  N  ND2 . ASN A 1 121 ? 9.875  16.542 26.699  1.00 36.75  ? 816  ASN A ND2 1 \nATOM   826  N  N   . TRP A 1 122 ? 14.338 18.102 23.881  1.00 24.16  ? 817  TRP A N   1 \nATOM   827  C  CA  . TRP A 1 122 ? 15.006 18.931 22.856  1.00 23.29  ? 817  TRP A CA  1 \nATOM   828  C  C   . TRP A 1 122 ? 15.899 18.095 21.961  1.00 21.50  ? 817  TRP A C   1 \nATOM   829  O  O   . TRP A 1 122 ? 15.936 18.291 20.730  1.00 22.15  ? 817  TRP A O   1 \nATOM   830  C  CB  . TRP A 1 122 ? 15.834 20.045 23.484  1.00 24.33  ? 817  TRP A CB  1 \nATOM   831  C  CG  . TRP A 1 122 ? 15.006 21.095 24.184  1.00 24.33  ? 817  TRP A CG  1 \nATOM   832  C  CD1 . TRP A 1 122 ? 13.717 21.466 23.918  1.00 27.91  ? 817  TRP A CD1 1 \nATOM   833  C  CD2 . TRP A 1 122 ? 15.448 21.913 25.275  1.00 23.49  ? 817  TRP A CD2 1 \nATOM   834  N  NE1 . TRP A 1 122 ? 13.325 22.469 24.794  1.00 28.16  ? 817  TRP A NE1 1 \nATOM   835  C  CE2 . TRP A 1 122 ? 14.374 22.758 25.630  1.00 26.08  ? 817  TRP A CE2 1 \nATOM   836  C  CE3 . TRP A 1 122 ? 16.659 22.013 25.976  1.00 27.45  ? 817  TRP A CE3 1 \nATOM   837  C  CZ2 . TRP A 1 122 ? 14.470 23.698 26.670  1.00 27.65  ? 817  TRP A CZ2 1 \nATOM   838  C  CZ3 . TRP A 1 122 ? 16.753 22.942 27.015  1.00 27.42  ? 817  TRP A CZ3 1 \nATOM   839  C  CH2 . TRP A 1 122 ? 15.672 23.775 27.342  1.00 27.98  ? 817  TRP A CH2 1 \nATOM   840  N  N   . CYS A 1 123 ? 16.628 17.151 22.567  1.00 22.12  ? 818  CYS A N   1 \nATOM   841  C  CA  . CYS A 1 123 ? 17.456 16.230 21.752  1.00 22.86  ? 818  CYS A CA  1 \nATOM   842  C  C   . CYS A 1 123 ? 16.634 15.435 20.747  1.00 22.34  ? 818  CYS A C   1 \nATOM   843  O  O   . CYS A 1 123 ? 17.057 15.273 19.588  1.00 22.08  ? 818  CYS A O   1 \nATOM   844  C  CB  . CYS A 1 123 ? 18.290 15.287 22.622  1.00 24.48  ? 818  CYS A CB  1 \nATOM   845  S  SG  . CYS A 1 123 ? 19.554 16.150 23.606  1.00 25.02  ? 818  CYS A SG  1 \nATOM   846  N  N   . VAL A 1 124 ? 15.473 14.934 21.183  1.00 20.70  ? 819  VAL A N   1 \nATOM   847  C  CA  . VAL A 1 124 ? 14.563 14.210 20.304  1.00 22.36  ? 819  VAL A CA  1 \nATOM   848  C  C   . VAL A 1 124 ? 14.100 15.110 19.153  1.00 21.11  ? 819  VAL A C   1 \nATOM   849  O  O   . VAL A 1 124 ? 14.159 14.719 17.989  1.00 21.76  ? 819  VAL A O   1 \nATOM   850  C  CB  . VAL A 1 124 ? 13.325 13.721 21.065  1.00 24.37  ? 819  VAL A CB  1 \nATOM   851  C  CG1 . VAL A 1 124 ? 12.302 13.114 20.102  1.00 27.83  ? 819  VAL A CG1 1 \nATOM   852  C  CG2 . VAL A 1 124 ? 13.721 12.698 22.126  1.00 25.07  ? 819  VAL A CG2 1 \nATOM   853  N  N   . GLN A 1 125 ? 13.662 16.317 19.501  1.00 20.97  ? 820  GLN A N   1 \nATOM   854  C  CA  . GLN A 1 125 ? 13.099 17.257 18.531  1.00 19.37  ? 820  GLN A CA  1 \nATOM   855  C  C   . GLN A 1 125 ? 14.114 17.660 17.469  1.00 20.40  ? 820  GLN A C   1 \nATOM   856  O  O   . GLN A 1 125 ? 13.798 17.710 16.268  1.00 20.43  ? 820  GLN A O   1 \nATOM   857  C  CB  . GLN A 1 125 ? 12.596 18.493 19.267  1.00 20.58  ? 820  GLN A CB  1 \nATOM   858  C  CG  . GLN A 1 125 ? 11.348 18.204 20.096  1.00 21.28  ? 820  GLN A CG  1 \nATOM   859  C  CD  . GLN A 1 125 ? 10.922 19.396 20.896  1.00 26.31  ? 820  GLN A CD  1 \nATOM   860  O  OE1 . GLN A 1 125 ? 11.099 20.532 20.463  1.00 31.94  ? 820  GLN A OE1 1 \nATOM   861  N  NE2 . GLN A 1 125 ? 10.294 19.148 22.042  1.00 32.08  ? 820  GLN A NE2 1 \nATOM   862  N  N   . ILE A 1 126 ? 15.340 17.916 17.917  1.00 18.98  ? 821  ILE A N   1 \nATOM   863  C  CA  . ILE A 1 126 ? 16.408 18.271 16.964  1.00 18.31  ? 821  ILE A CA  1 \nATOM   864  C  C   . ILE A 1 126 ? 16.673 17.081 16.027  1.00 19.43  ? 821  ILE A C   1 \nATOM   865  O  O   . ILE A 1 126 ? 16.836 17.253 14.801  1.00 19.68  ? 821  ILE A O   1 \nATOM   866  C  CB  . ILE A 1 126 ? 17.672 18.763 17.672  1.00 22.57  ? 821  ILE A CB  1 \nATOM   867  C  CG1 . ILE A 1 126 ? 17.327 20.029 18.485  1.00 20.78  ? 821  ILE A CG1 1 \nATOM   868  C  CG2 . ILE A 1 126 ? 18.804 19.028 16.652  1.00 20.56  ? 821  ILE A CG2 1 \nATOM   869  C  CD1 . ILE A 1 126 ? 18.396 20.359 19.526  1.00 21.42  ? 821  ILE A CD1 1 \nATOM   870  N  N   . ALA A 1 127 ? 16.692 15.879 16.596  1.00 19.55  ? 822  ALA A N   1 \nATOM   871  C  CA  . ALA A 1 127 ? 16.920 14.668 15.767  1.00 19.48  ? 822  ALA A CA  1 \nATOM   872  C  C   . ALA A 1 127 ? 15.807 14.439 14.751  1.00 21.38  ? 822  ALA A C   1 \nATOM   873  O  O   . ALA A 1 127 ? 16.094 14.010 13.625  1.00 22.14  ? 822  ALA A O   1 \nATOM   874  C  CB  . ALA A 1 127 ? 17.119 13.441 16.644  1.00 20.26  ? 822  ALA A CB  1 \nATOM   875  N  N   . LYS A 1 128 ? 14.557 14.712 15.153  1.00 21.14  ? 823  LYS A N   1 \nATOM   876  C  CA  . LYS A 1 128 ? 13.384 14.626 14.260  1.00 21.68  ? 823  LYS A CA  1 \nATOM   877  C  C   . LYS A 1 128 ? 13.540 15.625 13.109  1.00 17.93  ? 823  LYS A C   1 \nATOM   878  O  O   . LYS A 1 128 ? 13.364 15.275 11.929  1.00 20.01  ? 823  LYS A O   1 \nATOM   879  C  CB  . LYS A 1 128 ? 12.081 14.846 15.037  1.00 23.26  ? 823  LYS A CB  1 \nATOM   880  C  CG  . LYS A 1 128 ? 11.704 13.639 15.901  1.00 23.57  ? 823  LYS A CG  1 \nATOM   881  C  CD  . LYS A 1 128 ? 10.339 13.829 16.559  1.00 28.89  ? 823  LYS A CD  1 \nATOM   882  C  CE  . LYS A 1 128 ? 9.971  12.592 17.347  1.00 29.80  ? 823  LYS A CE  1 \nATOM   883  N  NZ  . LYS A 1 128 ? 8.673  12.791 18.084  1.00 36.93  ? 823  LYS A NZ  1 \nATOM   884  N  N   . GLY A 1 129 ? 13.924 16.850 13.451  1.00 20.43  ? 824  GLY A N   1 \nATOM   885  C  CA  . GLY A 1 129 ? 14.126 17.875 12.417  1.00 22.10  ? 824  GLY A CA  1 \nATOM   886  C  C   . GLY A 1 129 ? 15.198 17.489 11.410  1.00 18.16  ? 824  GLY A C   1 \nATOM   887  O  O   . GLY A 1 129 ? 15.014 17.636 10.187  1.00 19.79  ? 824  GLY A O   1 \nATOM   888  N  N   . MET A 1 130 ? 16.339 17.015 11.932  1.00 20.11  ? 825  MET A N   1 \nATOM   889  C  CA  . MET A 1 130 ? 17.428 16.587 11.090  1.00 19.31  ? 825  MET A CA  1 \nATOM   890  C  C   . MET A 1 130 ? 17.108 15.355 10.265  1.00 18.64  ? 825  MET A C   1 \nATOM   891  O  O   . MET A 1 130 ? 17.533 15.262 9.110   1.00 20.59  ? 825  MET A O   1 \nATOM   892  C  CB  . MET A 1 130 ? 18.672 16.299 11.946  1.00 19.50  ? 825  MET A CB  1 \nATOM   893  C  CG  . MET A 1 130 ? 19.289 17.560 12.612  1.00 20.28  ? 825  MET A CG  1 \nATOM   894  S  SD  . MET A 1 130 ? 19.695 18.896 11.444  1.00 22.81  ? 825  MET A SD  1 \nATOM   895  C  CE  . MET A 1 130 ? 21.191 18.239 10.712  1.00 28.98  ? 825  MET A CE  1 \nATOM   896  N  N   . ASN A 1 131 ? 16.368 14.415 10.845  1.00 19.66  ? 826  ASN A N   1 \nATOM   897  C  CA  . ASN A 1 131 ? 15.864 13.288 10.047  1.00 21.88  ? 826  ASN A CA  1 \nATOM   898  C  C   . ASN A 1 131 ? 15.006 13.753 8.871   1.00 21.64  ? 826  ASN A C   1 \nATOM   899  O  O   . ASN A 1 131 ? 15.118 13.202 7.785   1.00 22.09  ? 826  ASN A O   1 \nATOM   900  C  CB  . ASN A 1 131 ? 15.100 12.288 10.908  1.00 20.77  ? 826  ASN A CB  1 \nATOM   901  C  CG  . ASN A 1 131 ? 14.652 11.052 10.118  1.00 26.99  ? 826  ASN A CG  1 \nATOM   902  O  OD1 . ASN A 1 131 ? 15.477 10.301 9.606   1.00 30.19  ? 826  ASN A OD1 1 \nATOM   903  N  ND2 . ASN A 1 131 ? 13.333 10.854 10.013  1.00 27.69  ? 826  ASN A ND2 1 \nATOM   904  N  N   . TYR A 1 132 ? 14.159 14.772 9.108   1.00 20.35  ? 827  TYR A N   1 \nATOM   905  C  CA  . TYR A 1 132 ? 13.334 15.350 8.049   1.00 22.00  ? 827  TYR A CA  1 \nATOM   906  C  C   . TYR A 1 132 ? 14.189 15.964 6.933   1.00 21.46  ? 827  TYR A C   1 \nATOM   907  O  O   . TYR A 1 132 ? 13.920 15.762 5.723   1.00 21.46  ? 827  TYR A O   1 \nATOM   908  C  CB  . TYR A 1 132 ? 12.349 16.373 8.632   1.00 21.88  ? 827  TYR A CB  1 \nATOM   909  C  CG  . TYR A 1 132 ? 11.530 17.007 7.550   1.00 19.84  ? 827  TYR A CG  1 \nATOM   910  C  CD1 . TYR A 1 132 ? 10.336 16.427 7.109   1.00 23.33  ? 827  TYR A CD1 1 \nATOM   911  C  CD2 . TYR A 1 132 ? 11.932 18.209 6.964   1.00 20.56  ? 827  TYR A CD2 1 \nATOM   912  C  CE1 . TYR A 1 132 ? 9.605  17.027 6.104   1.00 27.97  ? 827  TYR A CE1 1 \nATOM   913  C  CE2 . TYR A 1 132 ? 11.214 18.800 5.967   1.00 24.68  ? 827  TYR A CE2 1 \nATOM   914  C  CZ  . TYR A 1 132 ? 10.043 18.216 5.543   1.00 23.40  ? 827  TYR A CZ  1 \nATOM   915  O  OH  . TYR A 1 132 ? 9.330  18.818 4.538   1.00 26.69  ? 827  TYR A OH  1 \nATOM   916  N  N   . LEU A 1 133 ? 15.229 16.700 7.338   1.00 18.81  ? 828  LEU A N   1 \nATOM   917  C  CA  . LEU A 1 133 ? 16.186 17.261 6.359   1.00 23.95  ? 828  LEU A CA  1 \nATOM   918  C  C   . LEU A 1 133 ? 16.918 16.178 5.573   1.00 24.65  ? 828  LEU A C   1 \nATOM   919  O  O   . LEU A 1 133 ? 17.108 16.315 4.353   1.00 22.24  ? 828  LEU A O   1 \nATOM   920  C  CB  . LEU A 1 133 ? 17.152 18.225 7.020   1.00 23.28  ? 828  LEU A CB  1 \nATOM   921  C  CG  . LEU A 1 133 ? 16.567 19.523 7.584   1.00 21.69  ? 828  LEU A CG  1 \nATOM   922  C  CD1 . LEU A 1 133 ? 17.687 20.332 8.217   1.00 27.11  ? 828  LEU A CD1 1 \nATOM   923  C  CD2 . LEU A 1 133 ? 15.858 20.371 6.525   1.00 23.51  ? 828  LEU A CD2 1 \nATOM   924  N  N   . GLU A 1 134 ? 17.245 15.071 6.242   1.00 20.23  ? 829  GLU A N   1 \nATOM   925  C  CA  . GLU A 1 134 ? 17.808 13.924 5.529   1.00 22.00  ? 829  GLU A CA  1 \nATOM   926  C  C   . GLU A 1 134 ? 16.816 13.342 4.497   1.00 23.95  ? 829  GLU A C   1 \nATOM   927  O  O   . GLU A 1 134 ? 17.223 12.991 3.363   1.00 25.96  ? 829  GLU A O   1 \nATOM   928  C  CB  . GLU A 1 134 ? 18.298 12.856 6.527   1.00 21.47  ? 829  GLU A CB  1 \nATOM   929  C  CG  . GLU A 1 134 ? 18.919 11.659 5.818   1.00 23.75  ? 829  GLU A CG  1 \nATOM   930  C  CD  . GLU A 1 134 ? 19.805 10.829 6.718   1.00 25.64  ? 829  GLU A CD  1 \nATOM   931  O  OE1 . GLU A 1 134 ? 19.808 11.066 7.951   1.00 25.31  ? 829  GLU A OE1 1 \nATOM   932  O  OE2 . GLU A 1 134 ? 20.480 9.926  6.166   1.00 28.07  ? 829  GLU A OE2 1 \nATOM   933  N  N   . ASP A 1 135 ? 15.541 13.239 4.864   1.00 25.28  ? 830  ASP A N   1 \nATOM   934  C  CA  . ASP A 1 135 ? 14.512 12.823 3.899   1.00 26.06  ? 830  ASP A CA  1 \nATOM   935  C  C   . ASP A 1 135 ? 14.400 13.772 2.704   1.00 26.38  ? 830  ASP A C   1 \nATOM   936  O  O   . ASP A 1 135 ? 14.028 13.360 1.593   1.00 27.18  ? 830  ASP A O   1 \nATOM   937  C  CB  . ASP A 1 135 ? 13.145 12.656 4.574   1.00 26.59  ? 830  ASP A CB  1 \nATOM   938  C  CG  . ASP A 1 135 ? 13.066 11.383 5.423   1.00 30.95  ? 830  ASP A CG  1 \nATOM   939  O  OD1 . ASP A 1 135 ? 12.190 11.320 6.314   1.00 38.16  ? 830  ASP A OD1 1 \nATOM   940  O  OD2 . ASP A 1 135 ? 13.853 10.451 5.172   1.00 36.10  ? 830  ASP A OD2 1 \nATOM   941  N  N   . ARG A 1 136 ? 14.727 15.037 2.932   1.00 25.31  ? 831  ARG A N   1 \nATOM   942  C  CA  . ARG A 1 136 ? 14.700 16.046 1.866   1.00 24.96  ? 831  ARG A CA  1 \nATOM   943  C  C   . ARG A 1 136 ? 16.030 16.097 1.131   1.00 25.85  ? 831  ARG A C   1 \nATOM   944  O  O   . ARG A 1 136 ? 16.212 16.944 0.275   1.00 29.42  ? 831  ARG A O   1 \nATOM   945  C  CB  . ARG A 1 136 ? 14.422 17.434 2.453   1.00 24.03  ? 831  ARG A CB  1 \nATOM   946  C  CG  . ARG A 1 136 ? 13.058 17.640 3.099   1.00 27.26  ? 831  ARG A CG  1 \nATOM   947  C  CD  . ARG A 1 136 ? 11.946 17.778 2.091   1.00 34.58  ? 831  ARG A CD  1 \nATOM   948  N  NE  . ARG A 1 136 ? 11.521 16.501 1.514   1.00 31.48  ? 831  ARG A NE  1 \nATOM   949  C  CZ  . ARG A 1 136 ? 10.975 15.482 2.187   1.00 38.43  ? 831  ARG A CZ  1 \nATOM   950  N  NH1 . ARG A 1 136 ? 10.602 14.400 1.522   1.00 32.67  ? 831  ARG A NH1 1 \nATOM   951  N  NH2 . ARG A 1 136 ? 10.802 15.526 3.512   1.00 35.52  ? 831  ARG A NH2 1 \nATOM   952  N  N   . ARG A 1 137 ? 16.957 15.202 1.477   1.00 24.34  ? 832  ARG A N   1 \nATOM   953  C  CA  . ARG A 1 137 ? 18.317 15.171 0.887   1.00 24.59  ? 832  ARG A CA  1 \nATOM   954  C  C   . ARG A 1 137 ? 18.997 16.533 1.019   1.00 26.62  ? 832  ARG A C   1 \nATOM   955  O  O   . ARG A 1 137 ? 19.677 16.984 0.101   1.00 34.25  ? 832  ARG A O   1 \nATOM   956  C  CB  . ARG A 1 137 ? 18.274 14.700 -0.590  1.00 28.33  ? 832  ARG A CB  1 \nATOM   957  C  CG  . ARG A 1 137 ? 17.419 13.460 -0.821  1.00 29.81  ? 832  ARG A CG  1 \nATOM   958  C  CD  . ARG A 1 137 ? 17.411 13.018 -2.291  1.00 40.75  ? 832  ARG A CD  1 \nATOM   959  N  NE  . ARG A 1 137 ? 18.760 12.750 -2.786  1.00 44.03  ? 832  ARG A NE  1 \nATOM   960  C  CZ  . ARG A 1 137 ? 19.069 12.493 -4.060  1.00 50.52  ? 832  ARG A CZ  1 \nATOM   961  N  NH1 . ARG A 1 137 ? 20.335 12.270 -4.400  1.00 45.26  ? 832  ARG A NH1 1 \nATOM   962  N  NH2 . ARG A 1 137 ? 18.125 12.456 -4.997  1.00 52.77  ? 832  ARG A NH2 1 \nATOM   963  N  N   . LEU A 1 138 ? 18.798 17.179 2.175   1.00 25.01  ? 833  LEU A N   1 \nATOM   964  C  CA  . LEU A 1 138 ? 19.351 18.490 2.447   1.00 26.12  ? 833  LEU A CA  1 \nATOM   965  C  C   . LEU A 1 138 ? 20.330 18.412 3.594   1.00 26.75  ? 833  LEU A C   1 \nATOM   966  O  O   . LEU A 1 138 ? 19.948 18.179 4.748   1.00 28.56  ? 833  LEU A O   1 \nATOM   967  C  CB  . LEU A 1 138 ? 18.216 19.449 2.813   1.00 27.45  ? 833  LEU A CB  1 \nATOM   968  C  CG  . LEU A 1 138 ? 18.404 20.973 2.779   1.00 38.10  ? 833  LEU A CG  1 \nATOM   969  C  CD1 . LEU A 1 138 ? 17.029 21.630 2.815   1.00 42.72  ? 833  LEU A CD1 1 \nATOM   970  C  CD2 . LEU A 1 138 ? 19.252 21.489 3.936   1.00 40.30  ? 833  LEU A CD2 1 \nATOM   971  N  N   . VAL A 1 139 ? 21.597 18.643 3.283   1.00 21.34  ? 834  VAL A N   1 \nATOM   972  C  CA  . VAL A 1 139 ? 22.629 18.677 4.322   1.00 20.90  ? 834  VAL A CA  1 \nATOM   973  C  C   . VAL A 1 139 ? 22.695 20.063 4.944   1.00 20.36  ? 834  VAL A C   1 \nATOM   974  O  O   . VAL A 1 139 ? 22.740 21.070 4.243   1.00 22.48  ? 834  VAL A O   1 \nATOM   975  C  CB  . VAL A 1 139 ? 23.986 18.251 3.731   1.00 20.92  ? 834  VAL A CB  1 \nATOM   976  C  CG1 . VAL A 1 139 ? 25.091 18.299 4.808   1.00 23.79  ? 834  VAL A CG1 1 \nATOM   977  C  CG2 . VAL A 1 139 ? 23.917 16.845 3.086   1.00 24.27  ? 834  VAL A CG2 1 \nATOM   978  N  N   . HIS A 1 140 ? 22.666 20.116 6.272   1.00 21.06  ? 835  HIS A N   1 \nATOM   979  C  CA  . HIS A 1 140 ? 22.552 21.408 6.979   1.00 22.53  ? 835  HIS A CA  1 \nATOM   980  C  C   . HIS A 1 140 ? 23.851 22.210 6.841   1.00 24.73  ? 835  HIS A C   1 \nATOM   981  O  O   . HIS A 1 140 ? 23.850 23.367 6.369   1.00 25.42  ? 835  HIS A O   1 \nATOM   982  C  CB  . HIS A 1 140 ? 22.202 21.162 8.458   1.00 22.17  ? 835  HIS A CB  1 \nATOM   983  C  CG  . HIS A 1 140 ? 21.853 22.409 9.210   1.00 19.15  ? 835  HIS A CG  1 \nATOM   984  N  ND1 . HIS A 1 140 ? 22.677 23.505 9.268   1.00 22.06  ? 835  HIS A ND1 1 \nATOM   985  C  CD2 . HIS A 1 140 ? 20.726 22.747 9.887   1.00 22.51  ? 835  HIS A CD2 1 \nATOM   986  C  CE1 . HIS A 1 140 ? 22.102 24.454 9.987   1.00 21.27  ? 835  HIS A CE1 1 \nATOM   987  N  NE2 . HIS A 1 140 ? 20.911 24.019 10.372  1.00 23.05  ? 835  HIS A NE2 1 \nATOM   988  N  N   . ARG A 1 141 ? 24.944 21.556 7.251   1.00 20.24  ? 836  ARG A N   1 \nATOM   989  C  CA  . ARG A 1 141 ? 26.336 22.060 7.233   1.00 22.29  ? 836  ARG A CA  1 \nATOM   990  C  C   . ARG A 1 141 ? 26.691 23.054 8.350   1.00 23.84  ? 836  ARG A C   1 \nATOM   991  O  O   . ARG A 1 141 ? 27.858 23.415 8.501   1.00 27.00  ? 836  ARG A O   1 \nATOM   992  C  CB  . ARG A 1 141 ? 26.698 22.661 5.871   1.00 25.37  ? 836  ARG A CB  1 \nATOM   993  C  CG  . ARG A 1 141 ? 26.606 21.652 4.733   1.00 26.17  ? 836  ARG A CG  1 \nATOM   994  C  CD  . ARG A 1 141 ? 27.056 22.235 3.401   1.00 34.82  ? 836  ARG A CD  1 \nATOM   995  N  NE  . ARG A 1 141 ? 26.960 21.226 2.339   1.00 34.95  ? 836  ARG A NE  1 \nATOM   996  C  CZ  . ARG A 1 141 ? 25.837 20.860 1.716   1.00 36.84  ? 836  ARG A CZ  1 \nATOM   997  N  NH1 . ARG A 1 141 ? 24.653 21.417 2.014   1.00 35.59  ? 836  ARG A NH1 1 \nATOM   998  N  NH2 . ARG A 1 141 ? 25.899 19.926 0.771   1.00 37.41  ? 836  ARG A NH2 1 \nATOM   999  N  N   . ASP A 1 142 ? 25.698 23.491 9.112   1.00 24.35  ? 837  ASP A N   1 \nATOM   1000 C  CA  . ASP A 1 142 ? 25.943 24.443 10.221  1.00 23.30  ? 837  ASP A CA  1 \nATOM   1001 C  C   . ASP A 1 142 ? 25.014 24.216 11.426  1.00 26.28  ? 837  ASP A C   1 \nATOM   1002 O  O   . ASP A 1 142 ? 24.525 25.166 12.037  1.00 24.97  ? 837  ASP A O   1 \nATOM   1003 C  CB  . ASP A 1 142 ? 25.865 25.895 9.706   1.00 25.91  ? 837  ASP A CB  1 \nATOM   1004 C  CG  . ASP A 1 142 ? 26.456 26.925 10.688  1.00 31.73  ? 837  ASP A CG  1 \nATOM   1005 O  OD1 . ASP A 1 142 ? 26.150 28.125 10.515  1.00 36.20  ? 837  ASP A OD1 1 \nATOM   1006 O  OD2 . ASP A 1 142 ? 27.221 26.561 11.609  1.00 31.16  ? 837  ASP A OD2 1 \nATOM   1007 N  N   . LEU A 1 143 ? 24.756 22.948 11.761  1.00 23.35  ? 838  LEU A N   1 \nATOM   1008 C  CA  . LEU A 1 143 ? 23.986 22.656 12.962  1.00 19.84  ? 838  LEU A CA  1 \nATOM   1009 C  C   . LEU A 1 143 ? 24.824 23.015 14.188  1.00 18.40  ? 838  LEU A C   1 \nATOM   1010 O  O   . LEU A 1 143 ? 26.022 22.699 14.282  1.00 21.25  ? 838  LEU A O   1 \nATOM   1011 C  CB  . LEU A 1 143 ? 23.515 21.189 13.032  1.00 21.43  ? 838  LEU A CB  1 \nATOM   1012 C  CG  . LEU A 1 143 ? 22.595 20.837 14.226  1.00 20.44  ? 838  LEU A CG  1 \nATOM   1013 C  CD1 . LEU A 1 143 ? 21.287 21.659 14.242  1.00 24.82  ? 838  LEU A CD1 1 \nATOM   1014 C  CD2 . LEU A 1 143 ? 22.297 19.335 14.179  1.00 22.69  ? 838  LEU A CD2 1 \nATOM   1015 N  N   . ALA A 1 144 ? 24.172 23.735 15.099  1.00 20.14  ? 839  ALA A N   1 \nATOM   1016 C  CA  . ALA A 1 144 ? 24.797 24.228 16.348  1.00 19.93  ? 839  ALA A CA  1 \nATOM   1017 C  C   . ALA A 1 144 ? 23.662 24.725 17.217  1.00 21.50  ? 839  ALA A C   1 \nATOM   1018 O  O   . ALA A 1 144 ? 22.579 25.019 16.710  1.00 22.34  ? 839  ALA A O   1 \nATOM   1019 C  CB  . ALA A 1 144 ? 25.790 25.347 16.068  1.00 23.35  ? 839  ALA A CB  1 \nATOM   1020 N  N   . ALA A 1 145 ? 23.891 24.842 18.529  1.00 21.54  ? 840  ALA A N   1 \nATOM   1021 C  CA  . ALA A 1 145 ? 22.822 25.309 19.397  1.00 21.29  ? 840  ALA A CA  1 \nATOM   1022 C  C   . ALA A 1 145 ? 22.352 26.735 19.046  1.00 21.41  ? 840  ALA A C   1 \nATOM   1023 O  O   . ALA A 1 145 ? 21.177 27.055 19.223  1.00 23.59  ? 840  ALA A O   1 \nATOM   1024 C  CB  . ALA A 1 145 ? 23.224 25.220 20.888  1.00 20.82  ? 840  ALA A CB  1 \nATOM   1025 N  N   . ARG A 1 146 ? 23.239 27.551 18.493  1.00 22.77  ? 841  ARG A N   1 \nATOM   1026 C  CA  . ARG A 1 146 ? 22.879 28.917 18.065  1.00 25.64  ? 841  ARG A CA  1 \nATOM   1027 C  C   . ARG A 1 146 ? 21.867 28.866 16.915  1.00 26.74  ? 841  ARG A C   1 \nATOM   1028 O  O   . ARG A 1 146 ? 21.116 29.830 16.687  1.00 28.04  ? 841  ARG A O   1 \nATOM   1029 C  CB  . ARG A 1 146 ? 24.137 29.696 17.637  1.00 26.22  ? 841  ARG A CB  1 \nATOM   1030 C  CG  . ARG A 1 146 ? 24.873 29.094 16.439  1.00 26.70  ? 841  ARG A CG  1 \nATOM   1031 C  CD  . ARG A 1 146 ? 26.132 29.845 15.986  1.00 37.54  ? 841  ARG A CD  1 \nATOM   1032 N  NE  . ARG A 1 146 ? 26.808 29.055 14.951  1.00 36.01  ? 841  ARG A NE  1 \nATOM   1033 C  CZ  . ARG A 1 146 ? 27.778 28.168 15.180  1.00 38.01  ? 841  ARG A CZ  1 \nATOM   1034 N  NH1 . ARG A 1 146 ? 28.250 27.968 16.405  1.00 34.57  ? 841  ARG A NH1 1 \nATOM   1035 N  NH2 . ARG A 1 146 ? 28.298 27.483 14.171  1.00 36.08  ? 841  ARG A NH2 1 \nATOM   1036 N  N   . ASN A 1 147 ? 21.866 27.744 16.196  1.00 22.80  ? 842  ASN A N   1 \nATOM   1037 C  CA  . ASN A 1 147 ? 20.986 27.554 15.034  1.00 23.96  ? 842  ASN A CA  1 \nATOM   1038 C  C   . ASN A 1 147 ? 19.765 26.685 15.333  1.00 24.70  ? 842  ASN A C   1 \nATOM   1039 O  O   . ASN A 1 147 ? 19.143 26.102 14.434  1.00 25.19  ? 842  ASN A O   1 \nATOM   1040 C  CB  . ASN A 1 147 ? 21.776 27.057 13.818  1.00 23.81  ? 842  ASN A CB  1 \nATOM   1041 C  CG  . ASN A 1 147 ? 22.702 28.118 13.258  1.00 26.72  ? 842  ASN A CG  1 \nATOM   1042 O  OD1 . ASN A 1 147 ? 22.455 29.324 13.395  1.00 27.68  ? 842  ASN A OD1 1 \nATOM   1043 N  ND2 . ASN A 1 147 ? 23.769 27.685 12.628  1.00 26.96  ? 842  ASN A ND2 1 \nATOM   1044 N  N   . VAL A 1 148 ? 19.449 26.558 16.619  1.00 22.41  ? 843  VAL A N   1 \nATOM   1045 C  CA  . VAL A 1 148 ? 18.181 25.973 17.027  1.00 18.96  ? 843  VAL A CA  1 \nATOM   1046 C  C   . VAL A 1 148 ? 17.436 27.071 17.754  1.00 22.86  ? 843  VAL A C   1 \nATOM   1047 O  O   . VAL A 1 148 ? 18.014 27.758 18.602  1.00 24.07  ? 843  VAL A O   1 \nATOM   1048 C  CB  . VAL A 1 148 ? 18.399 24.760 17.957  1.00 21.80  ? 843  VAL A CB  1 \nATOM   1049 C  CG1 . VAL A 1 148 ? 17.076 24.160 18.345  1.00 23.39  ? 843  VAL A CG1 1 \nATOM   1050 C  CG2 . VAL A 1 148 ? 19.242 23.698 17.239  1.00 22.29  ? 843  VAL A CG2 1 \nATOM   1051 N  N   . LEU A 1 149 ? 16.162 27.244 17.401  1.00 23.21  ? 844  LEU A N   1 \nATOM   1052 C  CA  . LEU A 1 149 ? 15.352 28.331 17.937  1.00 23.07  ? 844  LEU A CA  1 \nATOM   1053 C  C   . LEU A 1 149 ? 14.213 27.827 18.797  1.00 24.22  ? 844  LEU A C   1 \nATOM   1054 O  O   . LEU A 1 149 ? 13.716 26.721 18.618  1.00 24.12  ? 844  LEU A O   1 \nATOM   1055 C  CB  . LEU A 1 149 ? 14.790 29.203 16.796  1.00 25.55  ? 844  LEU A CB  1 \nATOM   1056 C  CG  . LEU A 1 149 ? 15.822 29.793 15.837  1.00 25.83  ? 844  LEU A CG  1 \nATOM   1057 C  CD1 . LEU A 1 149 ? 15.109 30.645 14.801  1.00 27.48  ? 844  LEU A CD1 1 \nATOM   1058 C  CD2 . LEU A 1 149 ? 16.924 30.621 16.555  1.00 28.40  ? 844  LEU A CD2 1 \nATOM   1059 N  N   . VAL A 1 150 ? 13.806 28.659 19.744  1.00 25.66  ? 845  VAL A N   1 \nATOM   1060 C  CA  . VAL A 1 150 ? 12.819 28.269 20.731  1.00 27.43  ? 845  VAL A CA  1 \nATOM   1061 C  C   . VAL A 1 150 ? 11.467 28.898 20.393  1.00 28.86  ? 845  VAL A C   1 \nATOM   1062 O  O   . VAL A 1 150 ? 11.292 30.113 20.517  1.00 28.80  ? 845  VAL A O   1 \nATOM   1063 C  CB  . VAL A 1 150 ? 13.315 28.683 22.148  1.00 26.35  ? 845  VAL A CB  1 \nATOM   1064 C  CG1 . VAL A 1 150 ? 12.345 28.214 23.217  1.00 26.93  ? 845  VAL A CG1 1 \nATOM   1065 C  CG2 . VAL A 1 150 ? 14.728 28.101 22.397  1.00 26.17  ? 845  VAL A CG2 1 \nATOM   1066 N  N   . LYS A 1 151 ? 10.526 28.089 19.905  1.00 26.97  ? 846  LYS A N   1 \nATOM   1067 C  CA  . LYS A 1 151 ? 9.186  28.602 19.604  1.00 31.20  ? 846  LYS A CA  1 \nATOM   1068 C  C   . LYS A 1 151 ? 8.440  28.762 20.918  1.00 32.09  ? 846  LYS A C   1 \nATOM   1069 O  O   . LYS A 1 151 ? 7.820  29.803 21.169  1.00 31.29  ? 846  LYS A O   1 \nATOM   1070 C  CB  . LYS A 1 151 ? 8.424  27.683 18.648  1.00 33.10  ? 846  LYS A CB  1 \nATOM   1071 C  CG  . LYS A 1 151 ? 7.090  28.274 18.184  1.00 38.70  ? 846  LYS A CG  1 \nATOM   1072 C  CD  . LYS A 1 151 ? 6.340  27.317 17.286  1.00 46.48  ? 846  LYS A CD  1 \nATOM   1073 C  CE  . LYS A 1 151 ? 5.048  27.948 16.783  1.00 52.70  ? 846  LYS A CE  1 \nATOM   1074 N  NZ  . LYS A 1 151 ? 4.352  27.046 15.831  1.00 59.33  ? 846  LYS A NZ  1 \nATOM   1075 N  N   . THR A 1 152 ? 8.518  27.715 21.743  1.00 31.35  ? 847  THR A N   1 \nATOM   1076 C  CA  . THR A 1 152 ? 8.147  27.762 23.157  1.00 33.15  ? 847  THR A CA  1 \nATOM   1077 C  C   . THR A 1 152 ? 9.182  26.903 23.899  1.00 31.32  ? 847  THR A C   1 \nATOM   1078 O  O   . THR A 1 152 ? 9.877  26.106 23.273  1.00 30.15  ? 847  THR A O   1 \nATOM   1079 C  CB  . THR A 1 152 ? 6.740  27.162 23.420  1.00 32.79  ? 847  THR A CB  1 \nATOM   1080 O  OG1 . THR A 1 152 ? 6.765  25.755 23.157  1.00 35.53  ? 847  THR A OG1 1 \nATOM   1081 C  CG2 . THR A 1 152 ? 5.651  27.830 22.584  1.00 40.29  ? 847  THR A CG2 1 \nATOM   1082 N  N   . PRO A 1 153 ? 9.288  27.044 25.239  1.00 33.17  ? 848  PRO A N   1 \nATOM   1083 C  CA  . PRO A 1 153 ? 10.262 26.220 25.959  1.00 33.27  ? 848  PRO A CA  1 \nATOM   1084 C  C   . PRO A 1 153 ? 10.134 24.719 25.687  1.00 33.93  ? 848  PRO A C   1 \nATOM   1085 O  O   . PRO A 1 153 ? 11.116 24.003 25.808  1.00 32.13  ? 848  PRO A O   1 \nATOM   1086 C  CB  . PRO A 1 153 ? 9.950  26.527 27.426  1.00 35.77  ? 848  PRO A CB  1 \nATOM   1087 C  CG  . PRO A 1 153 ? 9.487  27.942 27.377  1.00 35.62  ? 848  PRO A CG  1 \nATOM   1088 C  CD  . PRO A 1 153 ? 8.663  28.041 26.127  1.00 35.84  ? 848  PRO A CD  1 \nATOM   1089 N  N   . GLN A 1 154 ? 8.943  24.274 25.290  1.00 32.09  ? 849  GLN A N   1 \nATOM   1090 C  CA  . GLN A 1 154 ? 8.668  22.867 24.987  1.00 31.82  ? 849  GLN A CA  1 \nATOM   1091 C  C   . GLN A 1 154 ? 8.829  22.462 23.503  1.00 33.77  ? 849  GLN A C   1 \nATOM   1092 O  O   . GLN A 1 154 ? 8.616  21.302 23.162  1.00 35.36  ? 849  GLN A O   1 \nATOM   1093 C  CB  . GLN A 1 154 ? 7.237  22.522 25.413  1.00 36.03  ? 849  GLN A CB  1 \nATOM   1094 C  CG  . GLN A 1 154 ? 6.910  22.762 26.898  1.00 42.93  ? 849  GLN A CG  1 \nATOM   1095 C  CD  . GLN A 1 154 ? 6.543  24.212 27.236  1.00 49.54  ? 849  GLN A CD  1 \nATOM   1096 O  OE1 . GLN A 1 154 ? 5.869  24.909 26.466  1.00 47.63  ? 849  GLN A OE1 1 \nATOM   1097 N  NE2 . GLN A 1 154 ? 6.979  24.664 28.406  1.00 52.26  ? 849  GLN A NE2 1 \nATOM   1098 N  N   . HIS A 1 155 ? 9.176  23.402 22.627  1.00 31.84  ? 850  HIS A N   1 \nATOM   1099 C  CA  . HIS A 1 155 ? 9.116  23.172 21.172  1.00 30.46  ? 850  HIS A CA  1 \nATOM   1100 C  C   . HIS A 1 155 ? 10.218 23.967 20.475  1.00 29.22  ? 850  HIS A C   1 \nATOM   1101 O  O   . HIS A 1 155 ? 10.173 25.200 20.425  1.00 29.91  ? 850  HIS A O   1 \nATOM   1102 C  CB  . HIS A 1 155 ? 7.708  23.563 20.674  1.00 33.97  ? 850  HIS A CB  1 \nATOM   1103 C  CG  . HIS A 1 155 ? 7.464  23.354 19.206  1.00 37.58  ? 850  HIS A CG  1 \nATOM   1104 N  ND1 . HIS A 1 155 ? 6.265  23.687 18.607  1.00 41.50  ? 850  HIS A ND1 1 \nATOM   1105 C  CD2 . HIS A 1 155 ? 8.255  22.871 18.216  1.00 39.69  ? 850  HIS A CD2 1 \nATOM   1106 C  CE1 . HIS A 1 155 ? 6.325  23.404 17.317  1.00 45.57  ? 850  HIS A CE1 1 \nATOM   1107 N  NE2 . HIS A 1 155 ? 7.521  22.907 17.055  1.00 37.26  ? 850  HIS A NE2 1 \nATOM   1108 N  N   . VAL A 1 156 ? 11.219 23.251 19.956  1.00 26.16  ? 851  VAL A N   1 \nATOM   1109 C  CA  . VAL A 1 156 ? 12.338 23.910 19.298  1.00 25.54  ? 851  VAL A CA  1 \nATOM   1110 C  C   . VAL A 1 156 ? 12.378 23.553 17.825  1.00 25.36  ? 851  VAL A C   1 \nATOM   1111 O  O   . VAL A 1 156 ? 11.821 22.535 17.413  1.00 24.95  ? 851  VAL A O   1 \nATOM   1112 C  CB  . VAL A 1 156 ? 13.700 23.589 19.966  1.00 22.26  ? 851  VAL A CB  1 \nATOM   1113 C  CG1 . VAL A 1 156 ? 13.677 24.033 21.446  1.00 27.18  ? 851  VAL A CG1 1 \nATOM   1114 C  CG2 . VAL A 1 156 ? 14.049 22.091 19.862  1.00 24.39  ? 851  VAL A CG2 1 \nATOM   1115 N  N   . LYS A 1 157 ? 13.035 24.408 17.046  1.00 23.97  ? 852  LYS A N   1 \nATOM   1116 C  CA  . LYS A 1 157 ? 13.051 24.260 15.584  1.00 22.76  ? 852  LYS A CA  1 \nATOM   1117 C  C   . LYS A 1 157 ? 14.429 24.611 15.049  1.00 25.27  ? 852  LYS A C   1 \nATOM   1118 O  O   . LYS A 1 157 ? 15.053 25.570 15.487  1.00 25.98  ? 852  LYS A O   1 \nATOM   1119 C  CB  . LYS A 1 157 ? 12.000 25.173 14.933  1.00 25.90  ? 852  LYS A CB  1 \nATOM   1120 C  CG  . LYS A 1 157 ? 10.567 25.000 15.409  1.00 30.03  ? 852  LYS A CG  1 \nATOM   1121 C  CD  . LYS A 1 157 ? 9.648  25.961 14.668  1.00 31.38  ? 852  LYS A CD  1 \nATOM   1122 C  CE  . LYS A 1 157 ? 9.301  25.454 13.276  1.00 38.73  ? 852  LYS A CE  1 \nATOM   1123 N  NZ  . LYS A 1 157 ? 8.421  26.427 12.547  1.00 43.57  ? 852  LYS A NZ  1 \nATOM   1124 N  N   . ILE A 1 158 ? 14.905 23.823 14.085  1.00 22.23  ? 853  ILE A N   1 \nATOM   1125 C  CA  . ILE A 1 158 ? 16.201 24.060 13.474  1.00 21.93  ? 853  ILE A CA  1 \nATOM   1126 C  C   . ILE A 1 158 ? 16.129 25.150 12.409  1.00 22.48  ? 853  ILE A C   1 \nATOM   1127 O  O   . ILE A 1 158 ? 15.148 25.224 11.652  1.00 23.65  ? 853  ILE A O   1 \nATOM   1128 C  CB  . ILE A 1 158 ? 16.682 22.752 12.808  1.00 20.42  ? 853  ILE A CB  1 \nATOM   1129 C  CG1 . ILE A 1 158 ? 16.974 21.696 13.877  1.00 21.96  ? 853  ILE A CG1 1 \nATOM   1130 C  CG2 . ILE A 1 158 ? 17.925 23.006 11.962  1.00 24.02  ? 853  ILE A CG2 1 \nATOM   1131 C  CD1 . ILE A 1 158 ? 16.758 20.293 13.323  1.00 24.52  ? 853  ILE A CD1 1 \nATOM   1132 N  N   . THR A 1 159 ? 17.148 25.997 12.332  1.00 20.57  ? 854  THR A N   1 \nATOM   1133 C  CA  . THR A 1 159 ? 17.188 27.013 11.288  1.00 20.53  ? 854  THR A CA  1 \nATOM   1134 C  C   . THR A 1 159 ? 18.549 27.084 10.624  1.00 24.35  ? 854  THR A C   1 \nATOM   1135 O  O   . THR A 1 159 ? 19.454 26.334 10.991  1.00 22.82  ? 854  THR A O   1 \nATOM   1136 C  CB  . THR A 1 159 ? 16.744 28.402 11.840  1.00 24.63  ? 854  THR A CB  1 \nATOM   1137 O  OG1 . THR A 1 159 ? 16.508 29.301 10.750  1.00 26.97  ? 854  THR A OG1 1 \nATOM   1138 C  CG2 . THR A 1 159 ? 17.798 28.992 12.797  1.00 25.10  ? 854  THR A CG2 1 \nATOM   1139 N  N   . ASP A 1 160 ? 18.657 27.960 9.627   1.00 25.08  ? 855  ASP A N   1 \nATOM   1140 C  CA  . ASP A 1 160 ? 19.924 28.276 8.973   1.00 28.87  ? 855  ASP A CA  1 \nATOM   1141 C  C   . ASP A 1 160 ? 20.529 27.131 8.178   1.00 30.79  ? 855  ASP A C   1 \nATOM   1142 O  O   . ASP A 1 160 ? 21.735 27.114 7.960   1.00 32.23  ? 855  ASP A O   1 \nATOM   1143 C  CB  . ASP A 1 160 ? 20.951 28.786 9.991   1.00 29.95  ? 855  ASP A CB  1 \nATOM   1144 C  CG  . ASP A 1 160 ? 21.750 29.950 9.462   1.00 39.28  ? 855  ASP A CG  1 \nATOM   1145 O  OD1 . ASP A 1 160 ? 21.155 30.802 8.767   1.00 38.06  ? 855  ASP A OD1 1 \nATOM   1146 O  OD2 . ASP A 1 160 ? 22.965 30.021 9.753   1.00 45.79  ? 855  ASP A OD2 1 \nATOM   1147 N  N   . PHE A 1 161 ? 19.707 26.171 7.776   1.00 29.92  ? 856  PHE A N   1 \nATOM   1148 C  CA  . PHE A 1 161 ? 20.191 25.074 6.927   1.00 29.29  ? 856  PHE A CA  1 \nATOM   1149 C  C   . PHE A 1 161 ? 20.343 25.557 5.505   1.00 34.42  ? 856  PHE A C   1 \nATOM   1150 O  O   . PHE A 1 161 ? 19.585 26.420 5.030   1.00 31.52  ? 856  PHE A O   1 \nATOM   1151 C  CB  . PHE A 1 161 ? 19.254 23.877 6.959   1.00 29.00  ? 856  PHE A CB  1 \nATOM   1152 C  CG  . PHE A 1 161 ? 17.809 24.234 6.735   1.00 29.25  ? 856  PHE A CG  1 \nATOM   1153 C  CD1 . PHE A 1 161 ? 17.010 24.605 7.813   1.00 34.95  ? 856  PHE A CD1 1 \nATOM   1154 C  CD2 . PHE A 1 161 ? 17.251 24.200 5.464   1.00 33.17  ? 856  PHE A CD2 1 \nATOM   1155 C  CE1 . PHE A 1 161 ? 15.690 24.933 7.621   1.00 33.55  ? 856  PHE A CE1 1 \nATOM   1156 C  CE2 . PHE A 1 161 ? 15.910 24.534 5.270   1.00 38.78  ? 856  PHE A CE2 1 \nATOM   1157 C  CZ  . PHE A 1 161 ? 15.141 24.903 6.355   1.00 35.44  ? 856  PHE A CZ  1 \nATOM   1158 N  N   . GLY A 1 162 ? 21.343 24.987 4.843   1.00 36.07  ? 857  GLY A N   1 \nATOM   1159 C  CA  . GLY A 1 162 ? 21.578 25.228 3.435   1.00 38.15  ? 857  GLY A CA  1 \nATOM   1160 C  C   . GLY A 1 162 ? 22.150 26.583 3.078   1.00 36.87  ? 857  GLY A C   1 \nATOM   1161 O  O   . GLY A 1 162 ? 22.265 26.887 1.904   1.00 37.45  ? 857  GLY A O   1 \nATOM   1162 N  N   . LEU A 1 163 ? 22.486 27.407 4.075   1.00 34.72  ? 858  LEU A N   1 \nATOM   1163 C  CA  . LEU A 1 163 ? 23.160 28.668 3.809   1.00 37.10  ? 858  LEU A CA  1 \nATOM   1164 C  C   . LEU A 1 163 ? 24.610 28.384 3.449   1.00 39.79  ? 858  LEU A C   1 \nATOM   1165 O  O   . LEU A 1 163 ? 25.136 28.945 2.497   1.00 39.46  ? 858  LEU A O   1 \nATOM   1166 C  CB  . LEU A 1 163 ? 23.114 29.610 5.019   1.00 37.69  ? 858  LEU A CB  1 \nATOM   1167 C  CG  . LEU A 1 163 ? 22.084 30.736 5.093   1.00 46.64  ? 858  LEU A CG  1 \nATOM   1168 C  CD1 . LEU A 1 163 ? 22.468 31.672 6.220   1.00 47.65  ? 858  LEU A CD1 1 \nATOM   1169 C  CD2 . LEU A 1 163 ? 21.996 31.509 3.796   1.00 46.58  ? 858  LEU A CD2 1 \nATOM   1170 N  N   . ALA A 1 164 ? 25.236 27.494 4.222   1.00 40.60  ? 859  ALA A N   1 \nATOM   1171 C  CA  . ALA A 1 164 ? 26.632 27.117 4.023   1.00 42.30  ? 859  ALA A CA  1 \nATOM   1172 C  C   . ALA A 1 164 ? 26.918 26.757 2.563   1.00 43.61  ? 859  ALA A C   1 \nATOM   1173 O  O   . ALA A 1 164 ? 27.863 27.278 1.972   1.00 41.15  ? 859  ALA A O   1 \nATOM   1174 C  CB  . ALA A 1 164 ? 27.001 25.979 4.950   1.00 42.38  ? 859  ALA A CB  1 \nATOM   1175 N  N   . LYS A 1 165 ? 26.075 25.904 1.979   1.00 44.78  ? 860  LYS A N   1 \nATOM   1176 C  CA  . LYS A 1 165 ? 26.239 25.498 0.581   1.00 47.44  ? 860  LYS A CA  1 \nATOM   1177 C  C   . LYS A 1 165 ? 25.841 26.599 -0.401  1.00 50.54  ? 860  LYS A C   1 \nATOM   1178 O  O   . LYS A 1 165 ? 26.454 26.726 -1.463  1.00 52.25  ? 860  LYS A O   1 \nATOM   1179 C  CB  . LYS A 1 165 ? 25.451 24.224 0.275   1.00 49.35  ? 860  LYS A CB  1 \nATOM   1180 C  CG  . LYS A 1 165 ? 25.857 23.549 -1.038  1.00 50.44  ? 860  LYS A CG  1 \nATOM   1181 C  CD  . LYS A 1 165 ? 24.768 22.621 -1.533  1.00 52.08  ? 860  LYS A CD  1 \nATOM   1182 C  CE  . LYS A 1 165 ? 25.176 21.934 -2.822  1.00 53.62  ? 860  LYS A CE  1 \nATOM   1183 N  NZ  . LYS A 1 165 ? 24.115 20.995 -3.273  1.00 52.96  ? 860  LYS A NZ  1 \nATOM   1184 N  N   . LEU A 1 166 ? 24.812 27.378 -0.062  1.00 50.17  ? 861  LEU A N   1 \nATOM   1185 C  CA  . LEU A 1 166 ? 24.380 28.484 -0.925  1.00 54.38  ? 861  LEU A CA  1 \nATOM   1186 C  C   . LEU A 1 166 ? 25.480 29.538 -1.056  1.00 56.31  ? 861  LEU A C   1 \nATOM   1187 O  O   . LEU A 1 166 ? 25.650 30.138 -2.122  1.00 58.93  ? 861  LEU A O   1 \nATOM   1188 C  CB  . LEU A 1 166 ? 23.068 29.105 -0.418  1.00 53.97  ? 861  LEU A CB  1 \nATOM   1189 C  CG  . LEU A 1 166 ? 22.481 30.383 -1.035  1.00 56.57  ? 861  LEU A CG  1 \nATOM   1190 C  CD1 . LEU A 1 166 ? 22.329 30.293 -2.552  1.00 57.02  ? 861  LEU A CD1 1 \nATOM   1191 C  CD2 . LEU A 1 166 ? 21.139 30.701 -0.382  1.00 55.98  ? 861  LEU A CD2 1 \nATOM   1192 N  N   . LEU A 1 167 ? 26.224 29.743 0.028   1.00 57.23  ? 862  LEU A N   1 \nATOM   1193 C  CA  . LEU A 1 167 ? 27.365 30.663 0.046   1.00 59.60  ? 862  LEU A CA  1 \nATOM   1194 C  C   . LEU A 1 167 ? 28.574 30.115 -0.715  1.00 61.01  ? 862  LEU A C   1 \nATOM   1195 O  O   . LEU A 1 167 ? 29.335 30.881 -1.314  1.00 63.34  ? 862  LEU A O   1 \nATOM   1196 C  CB  . LEU A 1 167 ? 27.757 31.006 1.487   1.00 58.67  ? 862  LEU A CB  1 \nATOM   1197 C  CG  . LEU A 1 167 ? 26.901 32.076 2.169   1.00 58.72  ? 862  LEU A CG  1 \nATOM   1198 C  CD1 . LEU A 1 167 ? 26.839 31.832 3.658   1.00 54.34  ? 862  LEU A CD1 1 \nATOM   1199 C  CD2 . LEU A 1 167 ? 27.428 33.478 1.866   1.00 59.26  ? 862  LEU A CD2 1 \nATOM   1200 N  N   . GLY A 1 168 ? 28.746 28.793 -0.679  1.00 60.62  ? 863  GLY A N   1 \nATOM   1201 C  CA  . GLY A 1 168 ? 29.835 28.122 -1.397  1.00 59.23  ? 863  GLY A CA  1 \nATOM   1202 C  C   . GLY A 1 168 ? 30.930 27.565 -0.502  1.00 58.06  ? 863  GLY A C   1 \nATOM   1203 O  O   . GLY A 1 168 ? 32.108 27.602 -0.868  1.00 58.66  ? 863  GLY A O   1 \nATOM   1204 N  N   . ALA A 1 169 ? 30.542 27.035 0.661   1.00 55.46  ? 864  ALA A N   1 \nATOM   1205 C  CA  . ALA A 1 169 ? 31.491 26.468 1.628   1.00 52.94  ? 864  ALA A CA  1 \nATOM   1206 C  C   . ALA A 1 169 ? 32.049 25.092 1.225   1.00 52.43  ? 864  ALA A C   1 \nATOM   1207 O  O   . ALA A 1 169 ? 32.949 24.563 1.882   1.00 51.17  ? 864  ALA A O   1 \nATOM   1208 C  CB  . ALA A 1 169 ? 30.868 26.410 3.023   1.00 54.64  ? 864  ALA A CB  1 \nATOM   1209 N  N   . GLU A 1 170 ? 31.514 24.516 0.149   1.00 50.01  ? 865  GLU A N   1 \nATOM   1210 C  CA  . GLU A 1 170 ? 32.061 23.274 -0.405  1.00 50.39  ? 865  GLU A CA  1 \nATOM   1211 C  C   . GLU A 1 170 ? 33.163 23.536 -1.432  1.00 50.91  ? 865  GLU A C   1 \nATOM   1212 O  O   . GLU A 1 170 ? 33.741 22.600 -2.004  1.00 51.87  ? 865  GLU A O   1 \nATOM   1213 C  CB  . GLU A 1 170 ? 30.950 22.426 -1.024  1.00 49.30  ? 865  GLU A CB  1 \nATOM   1214 C  CG  . GLU A 1 170 ? 30.073 21.752 0.026   1.00 53.00  ? 865  GLU A CG  1 \nATOM   1215 C  CD  . GLU A 1 170 ? 29.123 20.728 -0.576  1.00 54.39  ? 865  GLU A CD  1 \nATOM   1216 O  OE1 . GLU A 1 170 ? 28.514 19.978 0.213   1.00 52.31  ? 865  GLU A OE1 1 \nATOM   1217 O  OE2 . GLU A 1 170 ? 28.990 20.665 -1.820  1.00 54.98  ? 865  GLU A OE2 1 \nATOM   1218 N  N   . GLU A 1 171 ? 33.452 24.812 -1.666  1.00 50.12  ? 866  GLU A N   1 \nATOM   1219 C  CA  . GLU A 1 171 ? 34.389 25.204 -2.708  1.00 51.82  ? 866  GLU A CA  1 \nATOM   1220 C  C   . GLU A 1 171 ? 35.556 26.023 -2.167  1.00 53.42  ? 866  GLU A C   1 \nATOM   1221 O  O   . GLU A 1 171 ? 35.527 26.483 -1.020  1.00 51.83  ? 866  GLU A O   1 \nATOM   1222 C  CB  . GLU A 1 171 ? 33.661 25.970 -3.821  1.00 52.90  ? 866  GLU A CB  1 \nATOM   1223 C  CG  . GLU A 1 171 ? 32.848 25.088 -4.779  1.00 56.66  ? 866  GLU A CG  1 \nATOM   1224 C  CD  . GLU A 1 171 ? 31.511 24.641 -4.203  1.00 60.25  ? 866  GLU A CD  1 \nATOM   1225 O  OE1 . GLU A 1 171 ? 31.218 23.427 -4.252  1.00 64.28  ? 866  GLU A OE1 1 \nATOM   1226 O  OE2 . GLU A 1 171 ? 30.752 25.499 -3.701  1.00 61.19  ? 866  GLU A OE2 1 \nATOM   1227 N  N   . LYS A 1 172 ? 36.571 26.185 -3.019  1.00 55.64  ? 867  LYS A N   1 \nATOM   1228 C  CA  . LYS A 1 172 ? 37.774 26.997 -2.771  1.00 61.05  ? 867  LYS A CA  1 \nATOM   1229 C  C   . LYS A 1 172 ? 38.760 26.353 -1.805  1.00 62.26  ? 867  LYS A C   1 \nATOM   1230 O  O   . LYS A 1 172 ? 39.914 26.108 -2.167  1.00 64.41  ? 867  LYS A O   1 \nATOM   1231 C  CB  . LYS A 1 172 ? 37.434 28.436 -2.344  1.00 60.96  ? 867  LYS A CB  1 \nATOM   1232 C  CG  . LYS A 1 172 ? 36.697 29.235 -3.414  1.00 61.36  ? 867  LYS A CG  1 \nATOM   1233 C  CD  . LYS A 1 172 ? 36.880 30.730 -3.224  1.00 65.16  ? 867  LYS A CD  1 \nATOM   1234 C  CE  . LYS A 1 172 ? 36.359 31.496 -4.431  1.00 66.55  ? 867  LYS A CE  1 \nATOM   1235 N  NZ  . LYS A 1 172 ? 36.828 32.911 -4.440  1.00 69.99  ? 867  LYS A NZ  1 \nATOM   1236 N  N   . LYS A 1 180 ? 34.259 32.306 6.477   1.00 57.03  ? 875  LYS A N   1 \nATOM   1237 C  CA  . LYS A 1 180 ? 34.554 31.684 7.767   1.00 55.95  ? 875  LYS A CA  1 \nATOM   1238 C  C   . LYS A 1 180 ? 33.757 30.397 7.962   1.00 53.41  ? 875  LYS A C   1 \nATOM   1239 O  O   . LYS A 1 180 ? 32.585 30.311 7.563   1.00 52.48  ? 875  LYS A O   1 \nATOM   1240 C  CB  . LYS A 1 180 ? 34.277 32.663 8.918   1.00 57.47  ? 875  LYS A CB  1 \nATOM   1241 C  CG  . LYS A 1 180 ? 34.844 32.223 10.262  1.00 60.07  ? 875  LYS A CG  1 \nATOM   1242 C  CD  . LYS A 1 180 ? 34.373 33.113 11.398  1.00 68.33  ? 875  LYS A CD  1 \nATOM   1243 C  CE  . LYS A 1 180 ? 34.805 32.553 12.747  1.00 69.63  ? 875  LYS A CE  1 \nATOM   1244 N  NZ  . LYS A 1 180 ? 34.416 33.447 13.873  1.00 73.26  ? 875  LYS A NZ  1 \nATOM   1245 N  N   . VAL A 1 181 ? 34.399 29.408 8.584   1.00 49.24  ? 876  VAL A N   1 \nATOM   1246 C  CA  . VAL A 1 181 ? 33.772 28.122 8.875   1.00 45.48  ? 876  VAL A CA  1 \nATOM   1247 C  C   . VAL A 1 181 ? 33.689 27.833 10.388  1.00 39.87  ? 876  VAL A C   1 \nATOM   1248 O  O   . VAL A 1 181 ? 34.576 28.214 11.151  1.00 39.15  ? 876  VAL A O   1 \nATOM   1249 C  CB  . VAL A 1 181 ? 34.448 26.929 8.116   1.00 43.89  ? 876  VAL A CB  1 \nATOM   1250 C  CG1 . VAL A 1 181 ? 34.095 26.961 6.633   1.00 50.84  ? 876  VAL A CG1 1 \nATOM   1251 C  CG2 . VAL A 1 181 ? 35.959 26.914 8.323   1.00 50.76  ? 876  VAL A CG2 1 \nATOM   1252 N  N   . PRO A 1 182 ? 32.603 27.174 10.820  1.00 37.20  ? 877  PRO A N   1 \nATOM   1253 C  CA  . PRO A 1 182 ? 32.440 26.802 12.236  1.00 34.72  ? 877  PRO A CA  1 \nATOM   1254 C  C   . PRO A 1 182 ? 33.242 25.550 12.586  1.00 31.04  ? 877  PRO A C   1 \nATOM   1255 O  O   . PRO A 1 182 ? 32.661 24.492 12.847  1.00 29.29  ? 877  PRO A O   1 \nATOM   1256 C  CB  . PRO A 1 182 ? 30.943 26.525 12.338  1.00 33.70  ? 877  PRO A CB  1 \nATOM   1257 C  CG  . PRO A 1 182 ? 30.585 26.003 10.966  1.00 38.14  ? 877  PRO A CG  1 \nATOM   1258 C  CD  . PRO A 1 182 ? 31.425 26.802 10.014  1.00 39.00  ? 877  PRO A CD  1 \nATOM   1259 N  N   . ILE A 1 183 ? 34.565 25.688 12.612  1.00 27.67  ? 878  ILE A N   1 \nATOM   1260 C  CA  . ILE A 1 183 ? 35.494 24.547 12.744  1.00 29.58  ? 878  ILE A CA  1 \nATOM   1261 C  C   . ILE A 1 183 ? 35.154 23.648 13.933  1.00 25.54  ? 878  ILE A C   1 \nATOM   1262 O  O   . ILE A 1 183 ? 35.170 22.420 13.828  1.00 24.87  ? 878  ILE A O   1 \nATOM   1263 C  CB  . ILE A 1 183 ? 36.975 25.015 12.861  1.00 31.68  ? 878  ILE A CB  1 \nATOM   1264 C  CG1 . ILE A 1 183 ? 37.502 25.595 11.534  1.00 35.49  ? 878  ILE A CG1 1 \nATOM   1265 C  CG2 . ILE A 1 183 ? 37.892 23.900 13.388  1.00 33.39  ? 878  ILE A CG2 1 \nATOM   1266 C  CD1 . ILE A 1 183 ? 37.865 24.565 10.451  1.00 40.17  ? 878  ILE A CD1 1 \nATOM   1267 N  N   . LYS A 1 184 ? 34.827 24.267 15.065  1.00 26.02  ? 879  LYS A N   1 \nATOM   1268 C  CA  . LYS A 1 184 ? 34.602 23.490 16.289  1.00 23.32  ? 879  LYS A CA  1 \nATOM   1269 C  C   . LYS A 1 184 ? 33.305 22.661 16.317  1.00 25.86  ? 879  LYS A C   1 \nATOM   1270 O  O   . LYS A 1 184 ? 33.090 21.874 17.259  1.00 25.36  ? 879  LYS A O   1 \nATOM   1271 C  CB  . LYS A 1 184 ? 34.738 24.409 17.514  1.00 22.58  ? 879  LYS A CB  1 \nATOM   1272 C  CG  . LYS A 1 184 ? 36.168 24.896 17.698  1.00 25.98  ? 879  LYS A CG  1 \nATOM   1273 C  CD  . LYS A 1 184 ? 36.283 26.007 18.769  1.00 30.55  ? 879  LYS A CD  1 \nATOM   1274 C  CE  . LYS A 1 184 ? 37.734 26.317 19.020  1.00 36.48  ? 879  LYS A CE  1 \nATOM   1275 N  NZ  . LYS A 1 184 ? 37.935 27.297 20.140  1.00 37.85  ? 879  LYS A NZ  1 \nATOM   1276 N  N   . TRP A 1 185 ? 32.459 22.801 15.286  1.00 22.54  ? 880  TRP A N   1 \nATOM   1277 C  CA  . TRP A 1 185 ? 31.268 21.976 15.125  1.00 22.38  ? 880  TRP A CA  1 \nATOM   1278 C  C   . TRP A 1 185 ? 31.410 20.997 13.961  1.00 22.56  ? 880  TRP A C   1 \nATOM   1279 O  O   . TRP A 1 185 ? 30.550 20.153 13.767  1.00 23.16  ? 880  TRP A O   1 \nATOM   1280 C  CB  . TRP A 1 185 ? 30.040 22.848 14.875  1.00 23.02  ? 880  TRP A CB  1 \nATOM   1281 C  CG  . TRP A 1 185 ? 29.496 23.466 16.124  1.00 22.80  ? 880  TRP A CG  1 \nATOM   1282 C  CD1 . TRP A 1 185 ? 28.402 23.056 16.818  1.00 22.18  ? 880  TRP A CD1 1 \nATOM   1283 C  CD2 . TRP A 1 185 ? 30.007 24.621 16.797  1.00 26.65  ? 880  TRP A CD2 1 \nATOM   1284 N  NE1 . TRP A 1 185 ? 28.217 23.873 17.930  1.00 21.92  ? 880  TRP A NE1 1 \nATOM   1285 C  CE2 . TRP A 1 185 ? 29.189 24.840 17.929  1.00 24.15  ? 880  TRP A CE2 1 \nATOM   1286 C  CE3 . TRP A 1 185 ? 31.096 25.483 16.563  1.00 23.91  ? 880  TRP A CE3 1 \nATOM   1287 C  CZ2 . TRP A 1 185 ? 29.403 25.907 18.820  1.00 25.24  ? 880  TRP A CZ2 1 \nATOM   1288 C  CZ3 . TRP A 1 185 ? 31.331 26.538 17.463  1.00 28.08  ? 880  TRP A CZ3 1 \nATOM   1289 C  CH2 . TRP A 1 185 ? 30.478 26.731 18.579  1.00 28.73  ? 880  TRP A CH2 1 \nATOM   1290 N  N   . MET A 1 186 ? 32.500 21.098 13.203  1.00 20.83  ? 881  MET A N   1 \nATOM   1291 C  CA  . MET A 1 186 ? 32.604 20.357 11.949  1.00 20.55  ? 881  MET A CA  1 \nATOM   1292 C  C   . MET A 1 186 ? 33.174 18.968 12.131  1.00 23.63  ? 881  MET A C   1 \nATOM   1293 O  O   . MET A 1 186 ? 34.128 18.765 12.880  1.00 22.46  ? 881  MET A O   1 \nATOM   1294 C  CB  . MET A 1 186 ? 33.474 21.130 10.954  1.00 23.74  ? 881  MET A CB  1 \nATOM   1295 C  CG  . MET A 1 186 ? 32.722 22.305 10.309  1.00 27.13  ? 881  MET A CG  1 \nATOM   1296 S  SD  . MET A 1 186 ? 33.824 23.496 9.558   1.00 30.15  ? 881  MET A SD  1 \nATOM   1297 C  CE  . MET A 1 186 ? 34.466 22.521 8.194   1.00 30.49  ? 881  MET A CE  1 \nATOM   1298 N  N   . ALA A 1 187 ? 32.663 18.013 11.363  1.00 22.70  ? 882  ALA A N   1 \nATOM   1299 C  CA  . ALA A 1 187 ? 33.246 16.699 11.321  1.00 24.15  ? 882  ALA A CA  1 \nATOM   1300 C  C   . ALA A 1 187 ? 34.655 16.782 10.711  1.00 24.25  ? 882  ALA A C   1 \nATOM   1301 O  O   . ALA A 1 187 ? 34.921 17.641 9.875   1.00 24.71  ? 882  ALA A O   1 \nATOM   1302 C  CB  . ALA A 1 187 ? 32.320 15.739 10.516  1.00 22.14  ? 882  ALA A CB  1 \nATOM   1303 N  N   . LEU A 1 188 ? 35.547 15.878 11.099  1.00 23.25  ? 883  LEU A N   1 \nATOM   1304 C  CA  . LEU A 1 188 ? 36.934 15.935 10.665  1.00 24.45  ? 883  LEU A CA  1 \nATOM   1305 C  C   . LEU A 1 188 ? 37.062 15.899 9.128   1.00 24.22  ? 883  LEU A C   1 \nATOM   1306 O  O   . LEU A 1 188 ? 37.979 16.534 8.560   1.00 25.35  ? 883  LEU A O   1 \nATOM   1307 C  CB  . LEU A 1 188 ? 37.711 14.781 11.292  1.00 25.30  ? 883  LEU A CB  1 \nATOM   1308 C  CG  . LEU A 1 188 ? 39.224 14.739 11.010  1.00 26.74  ? 883  LEU A CG  1 \nATOM   1309 C  CD1 . LEU A 1 188 ? 39.980 16.048 11.390  1.00 26.83  ? 883  LEU A CD1 1 \nATOM   1310 C  CD2 . LEU A 1 188 ? 39.939 13.528 11.628  1.00 34.55  ? 883  LEU A CD2 1 \nATOM   1311 N  N   . GLU A 1 189 ? 36.212 15.103 8.477   1.00 23.93  ? 884  GLU A N   1 \nATOM   1312 C  CA  . GLU A 1 189 ? 36.203 15.007 7.007   1.00 23.53  ? 884  GLU A CA  1 \nATOM   1313 C  C   . GLU A 1 189 ? 35.768 16.310 6.338   1.00 25.52  ? 884  GLU A C   1 \nATOM   1314 O  O   . GLU A 1 189 ? 36.179 16.588 5.201   1.00 24.94  ? 884  GLU A O   1 \nATOM   1315 C  CB  . GLU A 1 189 ? 35.375 13.802 6.481   1.00 20.87  ? 884  GLU A CB  1 \nATOM   1316 C  CG  . GLU A 1 189 ? 33.860 13.917 6.619   1.00 20.80  ? 884  GLU A CG  1 \nATOM   1317 C  CD  . GLU A 1 189 ? 33.350 13.440 7.945   1.00 22.39  ? 884  GLU A CD  1 \nATOM   1318 O  OE1 . GLU A 1 189 ? 34.119 13.217 8.906   1.00 24.54  ? 884  GLU A OE1 1 \nATOM   1319 O  OE2 . GLU A 1 189 ? 32.104 13.263 8.015   1.00 21.91  ? 884  GLU A OE2 1 \nATOM   1320 N  N   . SER A 1 190 ? 34.953 17.099 7.043   1.00 21.40  ? 885  SER A N   1 \nATOM   1321 C  CA  . SER A 1 190 ? 34.513 18.425 6.550   1.00 22.81  ? 885  SER A CA  1 \nATOM   1322 C  C   . SER A 1 190 ? 35.701 19.392 6.646   1.00 23.96  ? 885  SER A C   1 \nATOM   1323 O  O   . SER A 1 190 ? 35.971 20.176 5.721   1.00 24.68  ? 885  SER A O   1 \nATOM   1324 C  CB  . SER A 1 190 ? 33.303 18.951 7.348   1.00 23.65  ? 885  SER A CB  1 \nATOM   1325 O  OG  . SER A 1 190 ? 32.195 18.086 7.289   1.00 23.25  ? 885  SER A OG  1 \nATOM   1326 N  N   . ILE A 1 191 ? 36.411 19.351 7.777   1.00 23.24  ? 886  ILE A N   1 \nATOM   1327 C  CA  . ILE A 1 191 ? 37.632 20.154 7.940   1.00 25.46  ? 886  ILE A CA  1 \nATOM   1328 C  C   . ILE A 1 191 ? 38.707 19.829 6.896   1.00 28.29  ? 886  ILE A C   1 \nATOM   1329 O  O   . ILE A 1 191 ? 39.213 20.733 6.228   1.00 27.79  ? 886  ILE A O   1 \nATOM   1330 C  CB  . ILE A 1 191 ? 38.244 20.014 9.353   1.00 24.25  ? 886  ILE A CB  1 \nATOM   1331 C  CG1 . ILE A 1 191 ? 37.242 20.426 10.442  1.00 24.17  ? 886  ILE A CG1 1 \nATOM   1332 C  CG2 . ILE A 1 191 ? 39.547 20.813 9.451   1.00 27.96  ? 886  ILE A CG2 1 \nATOM   1333 C  CD1 . ILE A 1 191 ? 37.680 20.016 11.871  1.00 21.00  ? 886  ILE A CD1 1 \nATOM   1334 N  N   . LEU A 1 192 ? 39.027 18.544 6.746   1.00 27.39  ? 887  LEU A N   1 \nATOM   1335 C  CA  . LEU A 1 192 ? 40.174 18.133 5.929   1.00 25.12  ? 887  LEU A CA  1 \nATOM   1336 C  C   . LEU A 1 192 ? 39.869 18.161 4.442   1.00 24.23  ? 887  LEU A C   1 \nATOM   1337 O  O   . LEU A 1 192 ? 40.727 18.444 3.625   1.00 27.68  ? 887  LEU A O   1 \nATOM   1338 C  CB  . LEU A 1 192 ? 40.654 16.737 6.329   1.00 28.56  ? 887  LEU A CB  1 \nATOM   1339 C  CG  . LEU A 1 192 ? 41.139 16.549 7.779   1.00 27.97  ? 887  LEU A CG  1 \nATOM   1340 C  CD1 . LEU A 1 192 ? 41.627 15.120 7.975   1.00 32.04  ? 887  LEU A CD1 1 \nATOM   1341 C  CD2 . LEU A 1 192 ? 42.214 17.536 8.125   1.00 30.20  ? 887  LEU A CD2 1 \nATOM   1342 N  N   . HIS A 1 193 ? 38.635 17.852 4.086   1.00 23.03  ? 888  HIS A N   1 \nATOM   1343 C  CA  . HIS A 1 193 ? 38.349 17.617 2.655   1.00 23.52  ? 888  HIS A CA  1 \nATOM   1344 C  C   . HIS A 1 193 ? 37.053 18.261 2.171   1.00 25.75  ? 888  HIS A C   1 \nATOM   1345 O  O   . HIS A 1 193 ? 36.588 17.995 1.059   1.00 24.80  ? 888  HIS A O   1 \nATOM   1346 C  CB  . HIS A 1 193 ? 38.344 16.103 2.359   1.00 23.15  ? 888  HIS A CB  1 \nATOM   1347 C  CG  . HIS A 1 193 ? 39.682 15.458 2.512   1.00 25.48  ? 888  HIS A CG  1 \nATOM   1348 N  ND1 . HIS A 1 193 ? 40.733 15.732 1.672   1.00 29.06  ? 888  HIS A ND1 1 \nATOM   1349 C  CD2 . HIS A 1 193 ? 40.126 14.543 3.402   1.00 24.80  ? 888  HIS A CD2 1 \nATOM   1350 C  CE1 . HIS A 1 193 ? 41.786 15.027 2.051   1.00 28.65  ? 888  HIS A CE1 1 \nATOM   1351 N  NE2 . HIS A 1 193 ? 41.445 14.305 3.107   1.00 26.99  ? 888  HIS A NE2 1 \nATOM   1352 N  N   . ARG A 1 194 ? 36.479 19.138 2.991   1.00 25.42  ? 889  ARG A N   1 \nATOM   1353 C  CA  . ARG A 1 194 ? 35.206 19.803 2.656   1.00 25.46  ? 889  ARG A CA  1 \nATOM   1354 C  C   . ARG A 1 194 ? 34.097 18.830 2.227   1.00 24.52  ? 889  ARG A C   1 \nATOM   1355 O  O   . ARG A 1 194 ? 33.322 19.119 1.309   1.00 26.39  ? 889  ARG A O   1 \nATOM   1356 C  CB  . ARG A 1 194 ? 35.412 20.884 1.577   1.00 26.29  ? 889  ARG A CB  1 \nATOM   1357 C  CG  . ARG A 1 194 ? 36.550 21.852 1.879   1.00 29.12  ? 889  ARG A CG  1 \nATOM   1358 C  CD  . ARG A 1 194 ? 36.442 23.087 1.007   1.00 34.06  ? 889  ARG A CD  1 \nATOM   1359 N  NE  . ARG A 1 194 ? 37.491 24.040 1.352   1.00 40.27  ? 889  ARG A NE  1 \nATOM   1360 C  CZ  . ARG A 1 194 ? 38.647 24.159 0.709   1.00 44.88  ? 889  ARG A CZ  1 \nATOM   1361 N  NH1 . ARG A 1 194 ? 38.918 23.398 -0.351  1.00 43.57  ? 889  ARG A NH1 1 \nATOM   1362 N  NH2 . ARG A 1 194 ? 39.537 25.059 1.116   1.00 50.44  ? 889  ARG A NH2 1 \nATOM   1363 N  N   . ILE A 1 195 ? 34.083 17.661 2.862   1.00 23.98  ? 890  ILE A N   1 \nATOM   1364 C  CA  . ILE A 1 195 ? 33.062 16.655 2.662   1.00 25.00  ? 890  ILE A CA  1 \nATOM   1365 C  C   . ILE A 1 195 ? 31.926 16.899 3.651   1.00 23.28  ? 890  ILE A C   1 \nATOM   1366 O  O   . ILE A 1 195 ? 32.151 16.891 4.881   1.00 21.38  ? 890  ILE A O   1 \nATOM   1367 C  CB  . ILE A 1 195 ? 33.616 15.226 2.883   1.00 25.42  ? 890  ILE A CB  1 \nATOM   1368 C  CG1 . ILE A 1 195 ? 34.727 14.903 1.875   1.00 26.63  ? 890  ILE A CG1 1 \nATOM   1369 C  CG2 . ILE A 1 195 ? 32.479 14.198 2.815   1.00 28.04  ? 890  ILE A CG2 1 \nATOM   1370 C  CD1 . ILE A 1 195 ? 35.513 13.645 2.213   1.00 33.71  ? 890  ILE A CD1 1 \nATOM   1371 N  N   . TYR A 1 196 ? 30.719 17.107 3.120   1.00 22.22  ? 891  TYR A N   1 \nATOM   1372 C  CA  . TYR A 1 196 ? 29.537 17.334 3.962   1.00 24.26  ? 891  TYR A CA  1 \nATOM   1373 C  C   . TYR A 1 196 ? 28.491 16.330 3.560   1.00 23.03  ? 891  TYR A C   1 \nATOM   1374 O  O   . TYR A 1 196 ? 28.127 16.219 2.376   1.00 25.78  ? 891  TYR A O   1 \nATOM   1375 C  CB  . TYR A 1 196 ? 28.984 18.747 3.786   1.00 22.51  ? 891  TYR A CB  1 \nATOM   1376 C  CG  . TYR A 1 196 ? 29.896 19.841 4.275   1.00 23.06  ? 891  TYR A CG  1 \nATOM   1377 C  CD1 . TYR A 1 196 ? 29.824 20.314 5.586   1.00 27.59  ? 891  TYR A CD1 1 \nATOM   1378 C  CD2 . TYR A 1 196 ? 30.822 20.419 3.418   1.00 28.17  ? 891  TYR A CD2 1 \nATOM   1379 C  CE1 . TYR A 1 196 ? 30.680 21.337 6.021   1.00 31.56  ? 891  TYR A CE1 1 \nATOM   1380 C  CE2 . TYR A 1 196 ? 31.690 21.437 3.847   1.00 29.48  ? 891  TYR A CE2 1 \nATOM   1381 C  CZ  . TYR A 1 196 ? 31.605 21.884 5.149   1.00 35.39  ? 891  TYR A CZ  1 \nATOM   1382 O  OH  . TYR A 1 196 ? 32.447 22.892 5.549   1.00 34.54  ? 891  TYR A OH  1 \nATOM   1383 N  N   . THR A 1 197 ? 28.026 15.579 4.547   1.00 23.36  ? 892  THR A N   1 \nATOM   1384 C  CA  . THR A 1 197 ? 26.991 14.582 4.357   1.00 22.13  ? 892  THR A CA  1 \nATOM   1385 C  C   . THR A 1 197 ? 25.984 14.638 5.519   1.00 23.52  ? 892  THR A C   1 \nATOM   1386 O  O   . THR A 1 197 ? 26.145 15.416 6.456   1.00 23.18  ? 892  THR A O   1 \nATOM   1387 C  CB  . THR A 1 197 ? 27.595 13.140 4.289   1.00 23.36  ? 892  THR A CB  1 \nATOM   1388 O  OG1 . THR A 1 197 ? 28.198 12.820 5.554   1.00 27.28  ? 892  THR A OG1 1 \nATOM   1389 C  CG2 . THR A 1 197 ? 28.668 13.010 3.189   1.00 24.48  ? 892  THR A CG2 1 \nATOM   1390 N  N   . HIS A 1 198 ? 24.977 13.781 5.488   1.00 22.08  ? 893  HIS A N   1 \nATOM   1391 C  CA  . HIS A 1 198 ? 24.043 13.716 6.640   1.00 23.15  ? 893  HIS A CA  1 \nATOM   1392 C  C   . HIS A 1 198 ? 24.801 13.168 7.849   1.00 21.77  ? 893  HIS A C   1 \nATOM   1393 O  O   . HIS A 1 198 ? 24.500 13.493 8.996   1.00 19.97  ? 893  HIS A O   1 \nATOM   1394 C  CB  . HIS A 1 198 ? 22.805 12.881 6.314   1.00 27.35  ? 893  HIS A CB  1 \nATOM   1395 C  CG  . HIS A 1 198 ? 22.013 13.456 5.177   1.00 25.85  ? 893  HIS A CG  1 \nATOM   1396 N  ND1 . HIS A 1 198 ? 21.427 14.696 5.257   1.00 31.12  ? 893  HIS A ND1 1 \nATOM   1397 C  CD2 . HIS A 1 198 ? 21.825 13.026 3.906   1.00 36.64  ? 893  HIS A CD2 1 \nATOM   1398 C  CE1 . HIS A 1 198 ? 20.858 14.984 4.097   1.00 33.22  ? 893  HIS A CE1 1 \nATOM   1399 N  NE2 . HIS A 1 198 ? 21.084 13.987 3.262   1.00 31.29  ? 893  HIS A NE2 1 \nATOM   1400 N  N   . GLN A 1 199 ? 25.832 12.372 7.576   1.00 21.77  ? 894  GLN A N   1 \nATOM   1401 C  CA  . GLN A 1 199 ? 26.729 11.871 8.650   1.00 20.77  ? 894  GLN A CA  1 \nATOM   1402 C  C   . GLN A 1 199 ? 27.679 12.909 9.277   1.00 17.73  ? 894  GLN A C   1 \nATOM   1403 O  O   . GLN A 1 199 ? 27.985 12.820 10.465  1.00 19.63  ? 894  GLN A O   1 \nATOM   1404 C  CB  . GLN A 1 199 ? 27.466 10.587 8.230   1.00 23.65  ? 894  GLN A CB  1 \nATOM   1405 C  CG  . GLN A 1 199 ? 26.493 9.420  7.931   1.00 22.40  ? 894  GLN A CG  1 \nATOM   1406 C  CD  . GLN A 1 199 ? 25.555 9.148  9.103   1.00 27.81  ? 894  GLN A CD  1 \nATOM   1407 O  OE1 . GLN A 1 199 ? 24.369 9.478  9.035   1.00 26.17  ? 894  GLN A OE1 1 \nATOM   1408 N  NE2 . GLN A 1 199 ? 26.085 8.577  10.188  1.00 26.01  ? 894  GLN A NE2 1 \nATOM   1409 N  N   . SER A 1 200 ? 28.092 13.908 8.492   1.00 20.04  ? 895  SER A N   1 \nATOM   1410 C  CA  . SER A 1 200 ? 28.833 15.037 9.068   1.00 19.51  ? 895  SER A CA  1 \nATOM   1411 C  C   . SER A 1 200 ? 27.862 15.903 9.876   1.00 20.74  ? 895  SER A C   1 \nATOM   1412 O  O   . SER A 1 200 ? 28.266 16.454 10.909  1.00 21.76  ? 895  SER A O   1 \nATOM   1413 C  CB  . SER A 1 200 ? 29.625 15.843 8.033   1.00 23.40  ? 895  SER A CB  1 \nATOM   1414 O  OG  . SER A 1 200 ? 28.843 16.467 7.052   1.00 21.93  ? 895  SER A OG  1 \nATOM   1415 N  N   . ASP A 1 201 ? 26.585 15.956 9.455   1.00 20.11  ? 896  ASP A N   1 \nATOM   1416 C  CA  . ASP A 1 201 ? 25.563 16.637 10.266  1.00 19.26  ? 896  ASP A CA  1 \nATOM   1417 C  C   . ASP A 1 201 ? 25.351 15.922 11.606  1.00 16.09  ? 896  ASP A C   1 \nATOM   1418 O  O   . ASP A 1 201 ? 25.142 16.588 12.613  1.00 18.95  ? 896  ASP A O   1 \nATOM   1419 C  CB  . ASP A 1 201 ? 24.214 16.706 9.554   1.00 19.34  ? 896  ASP A CB  1 \nATOM   1420 C  CG  . ASP A 1 201 ? 24.108 17.868 8.555   1.00 20.51  ? 896  ASP A CG  1 \nATOM   1421 O  OD1 . ASP A 1 201 ? 23.127 17.852 7.788   1.00 24.63  ? 896  ASP A OD1 1 \nATOM   1422 O  OD2 . ASP A 1 201 ? 24.931 18.786 8.544   1.00 22.89  ? 896  ASP A OD2 1 \nATOM   1423 N  N   . VAL A 1 202 ? 25.471 14.585 11.623  1.00 17.44  ? 897  VAL A N   1 \nATOM   1424 C  CA  . VAL A 1 202 ? 25.415 13.822 12.883  1.00 16.82  ? 897  VAL A CA  1 \nATOM   1425 C  C   . VAL A 1 202 ? 26.549 14.253 13.860  1.00 18.33  ? 897  VAL A C   1 \nATOM   1426 O  O   . VAL A 1 202 ? 26.318 14.384 15.071  1.00 18.42  ? 897  VAL A O   1 \nATOM   1427 C  CB  . VAL A 1 202 ? 25.419 12.281 12.636  1.00 18.14  ? 897  VAL A CB  1 \nATOM   1428 C  CG1 . VAL A 1 202 ? 25.571 11.540 13.959  1.00 19.08  ? 897  VAL A CG1 1 \nATOM   1429 C  CG2 . VAL A 1 202 ? 24.121 11.852 11.982  1.00 20.79  ? 897  VAL A CG2 1 \nATOM   1430 N  N   . TRP A 1 203 ? 27.757 14.480 13.338  1.00 19.46  ? 898  TRP A N   1 \nATOM   1431 C  CA  . TRP A 1 203 ? 28.848 14.986 14.179  1.00 20.62  ? 898  TRP A CA  1 \nATOM   1432 C  C   . TRP A 1 203 ? 28.438 16.318 14.840  1.00 18.30  ? 898  TRP A C   1 \nATOM   1433 O  O   . TRP A 1 203 ? 28.586 16.485 16.062  1.00 18.89  ? 898  TRP A O   1 \nATOM   1434 C  CB  . TRP A 1 203 ? 30.142 15.151 13.356  1.00 17.81  ? 898  TRP A CB  1 \nATOM   1435 C  CG  . TRP A 1 203 ? 31.348 15.660 14.123  1.00 18.33  ? 898  TRP A CG  1 \nATOM   1436 C  CD1 . TRP A 1 203 ? 31.453 16.846 14.778  1.00 19.98  ? 898  TRP A CD1 1 \nATOM   1437 C  CD2 . TRP A 1 203 ? 32.615 15.009 14.252  1.00 22.26  ? 898  TRP A CD2 1 \nATOM   1438 N  NE1 . TRP A 1 203 ? 32.710 16.978 15.330  1.00 22.20  ? 898  TRP A NE1 1 \nATOM   1439 C  CE2 . TRP A 1 203 ? 33.435 15.854 15.025  1.00 20.72  ? 898  TRP A CE2 1 \nATOM   1440 C  CE3 . TRP A 1 203 ? 33.147 13.790 13.777  1.00 20.10  ? 898  TRP A CE3 1 \nATOM   1441 C  CZ2 . TRP A 1 203 ? 34.754 15.523 15.350  1.00 21.80  ? 898  TRP A CZ2 1 \nATOM   1442 C  CZ3 . TRP A 1 203 ? 34.464 13.462 14.111  1.00 24.49  ? 898  TRP A CZ3 1 \nATOM   1443 C  CH2 . TRP A 1 203 ? 35.247 14.331 14.888  1.00 28.84  ? 898  TRP A CH2 1 \nATOM   1444 N  N   . SER A 1 204 ? 27.930 17.250 14.020  1.00 19.17  ? 899  SER A N   1 \nATOM   1445 C  CA  . SER A 1 204 ? 27.537 18.557 14.524  1.00 15.78  ? 899  SER A CA  1 \nATOM   1446 C  C   . SER A 1 204 ? 26.394 18.440 15.529  1.00 20.69  ? 899  SER A C   1 \nATOM   1447 O  O   . SER A 1 204 ? 26.341 19.208 16.496  1.00 20.52  ? 899  SER A O   1 \nATOM   1448 C  CB  . SER A 1 204 ? 27.142 19.467 13.363  1.00 20.41  ? 899  SER A CB  1 \nATOM   1449 O  OG  . SER A 1 204 ? 28.222 19.588 12.452  1.00 22.46  ? 899  SER A OG  1 \nATOM   1450 N  N   . TYR A 1 205 ? 25.497 17.486 15.282  1.00 17.55  ? 900  TYR A N   1 \nATOM   1451 C  CA  . TYR A 1 205 ? 24.443 17.148 16.231  1.00 19.79  ? 900  TYR A CA  1 \nATOM   1452 C  C   . TYR A 1 205 ? 25.024 16.774 17.598  1.00 19.17  ? 900  TYR A C   1 \nATOM   1453 O  O   . TYR A 1 205 ? 24.559 17.246 18.654  1.00 19.38  ? 900  TYR A O   1 \nATOM   1454 C  CB  . TYR A 1 205 ? 23.553 16.009 15.699  1.00 19.51  ? 900  TYR A CB  1 \nATOM   1455 C  CG  . TYR A 1 205 ? 22.467 15.546 16.677  1.00 17.99  ? 900  TYR A CG  1 \nATOM   1456 C  CD1 . TYR A 1 205 ? 22.699 14.486 17.556  1.00 19.76  ? 900  TYR A CD1 1 \nATOM   1457 C  CD2 . TYR A 1 205 ? 21.228 16.170 16.719  1.00 18.82  ? 900  TYR A CD2 1 \nATOM   1458 C  CE1 . TYR A 1 205 ? 21.737 14.048 18.457  1.00 21.05  ? 900  TYR A CE1 1 \nATOM   1459 C  CE2 . TYR A 1 205 ? 20.216 15.739 17.633  1.00 20.66  ? 900  TYR A CE2 1 \nATOM   1460 C  CZ  . TYR A 1 205 ? 20.489 14.678 18.491  1.00 18.68  ? 900  TYR A CZ  1 \nATOM   1461 O  OH  . TYR A 1 205 ? 19.535 14.235 19.390  1.00 22.06  ? 900  TYR A OH  1 \nATOM   1462 N  N   . GLY A 1 206 ? 26.034 15.907 17.576  1.00 18.14  ? 901  GLY A N   1 \nATOM   1463 C  CA  . GLY A 1 206 ? 26.789 15.562 18.807  1.00 19.64  ? 901  GLY A CA  1 \nATOM   1464 C  C   . GLY A 1 206 ? 27.289 16.783 19.557  1.00 17.75  ? 901  GLY A C   1 \nATOM   1465 O  O   . GLY A 1 206 ? 27.126 16.877 20.782  1.00 20.44  ? 901  GLY A O   1 \nATOM   1466 N  N   . VAL A 1 207 ? 27.904 17.722 18.825  1.00 19.78  ? 902  VAL A N   1 \nATOM   1467 C  CA  . VAL A 1 207 ? 28.393 18.959 19.445  1.00 19.87  ? 902  VAL A CA  1 \nATOM   1468 C  C   . VAL A 1 207 ? 27.234 19.804 20.011  1.00 20.26  ? 902  VAL A C   1 \nATOM   1469 O  O   . VAL A 1 207 ? 27.330 20.340 21.128  1.00 20.32  ? 902  VAL A O   1 \nATOM   1470 C  CB  . VAL A 1 207 ? 29.289 19.790 18.477  1.00 19.17  ? 902  VAL A CB  1 \nATOM   1471 C  CG1 . VAL A 1 207 ? 29.822 21.042 19.216  1.00 21.70  ? 902  VAL A CG1 1 \nATOM   1472 C  CG2 . VAL A 1 207 ? 30.471 18.965 17.970  1.00 19.85  ? 902  VAL A CG2 1 \nATOM   1473 N  N   . THR A 1 208 ? 26.135 19.889 19.253  1.00 18.85  ? 903  THR A N   1 \nATOM   1474 C  CA  . THR A 1 208 ? 24.918 20.569 19.714  1.00 18.68  ? 903  THR A CA  1 \nATOM   1475 C  C   . THR A 1 208 ? 24.381 19.984 21.014  1.00 18.36  ? 903  THR A C   1 \nATOM   1476 O  O   . THR A 1 208 ? 24.095 20.735 21.954  1.00 21.20  ? 903  THR A O   1 \nATOM   1477 C  CB  . THR A 1 208 ? 23.855 20.542 18.610  1.00 19.94  ? 903  THR A CB  1 \nATOM   1478 O  OG1 . THR A 1 208 ? 24.402 21.156 17.437  1.00 18.87  ? 903  THR A OG1 1 \nATOM   1479 C  CG2 . THR A 1 208 ? 22.583 21.314 19.025  1.00 20.53  ? 903  THR A CG2 1 \nATOM   1480 N  N   . VAL A 1 209 ? 24.286 18.648 21.091  1.00 18.10  ? 904  VAL A N   1 \nATOM   1481 C  CA  . VAL A 1 209 ? 23.832 18.009 22.324  1.00 19.16  ? 904  VAL A CA  1 \nATOM   1482 C  C   . VAL A 1 209 ? 24.775 18.337 23.484  1.00 20.41  ? 904  VAL A C   1 \nATOM   1483 O  O   . VAL A 1 209 ? 24.315 18.619 24.603  1.00 21.83  ? 904  VAL A O   1 \nATOM   1484 C  CB  . VAL A 1 209 ? 23.640 16.488 22.122  1.00 22.39  ? 904  VAL A CB  1 \nATOM   1485 C  CG1 . VAL A 1 209 ? 23.435 15.757 23.462  1.00 23.76  ? 904  VAL A CG1 1 \nATOM   1486 C  CG2 . VAL A 1 209 ? 22.455 16.224 21.153  1.00 23.23  ? 904  VAL A CG2 1 \nATOM   1487 N  N   . TRP A 1 210 ? 26.076 18.312 23.214  1.00 20.80  ? 905  TRP A N   1 \nATOM   1488 C  CA  . TRP A 1 210 ? 27.085 18.693 24.209  1.00 21.29  ? 905  TRP A CA  1 \nATOM   1489 C  C   . TRP A 1 210 ? 26.852 20.128 24.697  1.00 19.94  ? 905  TRP A C   1 \nATOM   1490 O  O   . TRP A 1 210 ? 26.893 20.392 25.913  1.00 22.20  ? 905  TRP A O   1 \nATOM   1491 C  CB  . TRP A 1 210 ? 28.489 18.498 23.636  1.00 21.70  ? 905  TRP A CB  1 \nATOM   1492 C  CG  . TRP A 1 210 ? 29.579 18.749 24.619  1.00 21.36  ? 905  TRP A CG  1 \nATOM   1493 C  CD1 . TRP A 1 210 ? 30.159 17.829 25.438  1.00 22.65  ? 905  TRP A CD1 1 \nATOM   1494 C  CD2 . TRP A 1 210 ? 30.202 20.015 24.924  1.00 22.58  ? 905  TRP A CD2 1 \nATOM   1495 N  NE1 . TRP A 1 210 ? 31.133 18.429 26.214  1.00 26.00  ? 905  TRP A NE1 1 \nATOM   1496 C  CE2 . TRP A 1 210 ? 31.171 19.769 25.926  1.00 26.10  ? 905  TRP A CE2 1 \nATOM   1497 C  CE3 . TRP A 1 210 ? 30.043 21.325 24.437  1.00 24.96  ? 905  TRP A CE3 1 \nATOM   1498 C  CZ2 . TRP A 1 210 ? 31.971 20.782 26.458  1.00 27.63  ? 905  TRP A CZ2 1 \nATOM   1499 C  CZ3 . TRP A 1 210 ? 30.848 22.344 24.974  1.00 26.68  ? 905  TRP A CZ3 1 \nATOM   1500 C  CH2 . TRP A 1 210 ? 31.799 22.061 25.963  1.00 27.16  ? 905  TRP A CH2 1 \nATOM   1501 N  N   . GLU A 1 211 ? 26.558 21.042 23.773  1.00 20.13  ? 906  GLU A N   1 \nATOM   1502 C  CA  . GLU A 1 211 ? 26.258 22.421 24.170  1.00 21.45  ? 906  GLU A CA  1 \nATOM   1503 C  C   . GLU A 1 211 ? 25.066 22.487 25.109  1.00 24.10  ? 906  GLU A C   1 \nATOM   1504 O  O   . GLU A 1 211 ? 25.099 23.258 26.076  1.00 23.99  ? 906  GLU A O   1 \nATOM   1505 C  CB  . GLU A 1 211 ? 25.967 23.276 22.959  1.00 22.79  ? 906  GLU A CB  1 \nATOM   1506 C  CG  . GLU A 1 211 ? 27.165 23.617 22.115  1.00 23.57  ? 906  GLU A CG  1 \nATOM   1507 C  CD  . GLU A 1 211 ? 26.729 24.485 20.960  1.00 26.10  ? 906  GLU A CD  1 \nATOM   1508 O  OE1 . GLU A 1 211 ? 26.801 25.725 21.084  1.00 25.38  ? 906  GLU A OE1 1 \nATOM   1509 O  OE2 . GLU A 1 211 ? 26.216 23.940 19.961  1.00 23.11  ? 906  GLU A OE2 1 \nATOM   1510 N  N   . LEU A 1 212 ? 24.018 21.710 24.818  1.00 21.97  ? 907  LEU A N   1 \nATOM   1511 C  CA  . LEU A 1 212 ? 22.813 21.719 25.649  1.00 23.39  ? 907  LEU A CA  1 \nATOM   1512 C  C   . LEU A 1 212 ? 23.111 21.153 27.038  1.00 21.65  ? 907  LEU A C   1 \nATOM   1513 O  O   . LEU A 1 212 ? 22.720 21.748 28.042  1.00 24.72  ? 907  LEU A O   1 \nATOM   1514 C  CB  . LEU A 1 212 ? 21.669 20.928 24.996  1.00 23.11  ? 907  LEU A CB  1 \nATOM   1515 C  CG  . LEU A 1 212 ? 21.216 21.379 23.608  1.00 24.21  ? 907  LEU A CG  1 \nATOM   1516 C  CD1 . LEU A 1 212 ? 19.975 20.551 23.180  1.00 26.25  ? 907  LEU A CD1 1 \nATOM   1517 C  CD2 . LEU A 1 212 ? 20.918 22.868 23.645  1.00 25.67  ? 907  LEU A CD2 1 \nATOM   1518 N  N   . MET A 1 213 ? 23.831 20.028 27.080  1.00 23.09  ? 908  MET A N   1 \nATOM   1519 C  CA  . MET A 1 213 ? 24.079 19.317 28.340  1.00 22.52  ? 908  MET A CA  1 \nATOM   1520 C  C   . MET A 1 213 ? 25.036 20.051 29.259  1.00 23.13  ? 908  MET A C   1 \nATOM   1521 O  O   . MET A 1 213 ? 25.083 19.758 30.467  1.00 25.68  ? 908  MET A O   1 \nATOM   1522 C  CB  . MET A 1 213 ? 24.629 17.919 28.045  1.00 25.00  ? 908  MET A CB  1 \nATOM   1523 C  CG  . MET A 1 213 ? 23.666 17.070 27.244  1.00 26.10  ? 908  MET A CG  1 \nATOM   1524 S  SD  . MET A 1 213 ? 22.130 16.729 28.124  1.00 30.54  ? 908  MET A SD  1 \nATOM   1525 C  CE  . MET A 1 213 ? 21.247 15.794 26.858  1.00 33.52  ? 908  MET A CE  1 \nATOM   1526 N  N   . THR A 1 214 ? 25.819 20.975 28.698  1.00 25.91  ? 909  THR A N   1 \nATOM   1527 C  CA  . THR A 1 214 ? 26.714 21.818 29.492  1.00 26.61  ? 909  THR A CA  1 \nATOM   1528 C  C   . THR A 1 214 ? 26.103 23.192 29.766  1.00 29.52  ? 909  THR A C   1 \nATOM   1529 O  O   . THR A 1 214 ? 26.777 24.093 30.280  1.00 30.58  ? 909  THR A O   1 \nATOM   1530 C  CB  . THR A 1 214 ? 28.075 22.035 28.813  1.00 28.01  ? 909  THR A CB  1 \nATOM   1531 O  OG1 . THR A 1 214 ? 27.874 22.686 27.553  1.00 25.72  ? 909  THR A OG1 1 \nATOM   1532 C  CG2 . THR A 1 214 ? 28.808 20.692 28.618  1.00 26.85  ? 909  THR A CG2 1 \nATOM   1533 N  N   . PHE A 1 215 ? 24.829 23.340 29.419  1.00 27.61  ? 910  PHE A N   1 \nATOM   1534 C  CA  . PHE A 1 215 ? 24.104 24.616 29.565  1.00 26.99  ? 910  PHE A CA  1 \nATOM   1535 C  C   . PHE A 1 215 ? 24.793 25.758 28.839  1.00 28.00  ? 910  PHE A C   1 \nATOM   1536 O  O   . PHE A 1 215 ? 24.843 26.902 29.315  1.00 29.21  ? 910  PHE A O   1 \nATOM   1537 C  CB  . PHE A 1 215 ? 23.840 24.927 31.040  1.00 28.81  ? 910  PHE A CB  1 \nATOM   1538 C  CG  . PHE A 1 215 ? 23.095 23.853 31.725  1.00 28.89  ? 910  PHE A CG  1 \nATOM   1539 C  CD1 . PHE A 1 215 ? 21.714 23.755 31.576  1.00 29.32  ? 910  PHE A CD1 1 \nATOM   1540 C  CD2 . PHE A 1 215 ? 23.762 22.887 32.468  1.00 30.83  ? 910  PHE A CD2 1 \nATOM   1541 C  CE1 . PHE A 1 215 ? 21.002 22.737 32.191  1.00 32.13  ? 910  PHE A CE1 1 \nATOM   1542 C  CE2 . PHE A 1 215 ? 23.054 21.859 33.089  1.00 34.53  ? 910  PHE A CE2 1 \nATOM   1543 C  CZ  . PHE A 1 215 ? 21.668 21.788 32.949  1.00 33.22  ? 910  PHE A CZ  1 \nATOM   1544 N  N   . GLY A 1 216 ? 25.361 25.423 27.685  1.00 27.04  ? 911  GLY A N   1 \nATOM   1545 C  CA  . GLY A 1 216 ? 25.880 26.436 26.792  1.00 27.63  ? 911  GLY A CA  1 \nATOM   1546 C  C   . GLY A 1 216 ? 27.350 26.743 26.898  1.00 26.90  ? 911  GLY A C   1 \nATOM   1547 O  O   . GLY A 1 216 ? 27.780 27.841 26.557  1.00 28.05  ? 911  GLY A O   1 \nATOM   1548 N  N   . SER A 1 217 ? 28.144 25.769 27.317  1.00 25.29  ? 912  SER A N   1 \nATOM   1549 C  CA  . SER A 1 217 ? 29.599 25.950 27.270  1.00 28.05  ? 912  SER A CA  1 \nATOM   1550 C  C   . SER A 1 217 ? 30.087 26.067 25.820  1.00 28.02  ? 912  SER A C   1 \nATOM   1551 O  O   . SER A 1 217 ? 29.445 25.568 24.887  1.00 27.89  ? 912  SER A O   1 \nATOM   1552 C  CB  . SER A 1 217 ? 30.316 24.808 27.996  1.00 30.86  ? 912  SER A CB  1 \nATOM   1553 O  OG  . SER A 1 217 ? 30.012 24.836 29.384  1.00 32.10  ? 912  SER A OG  1 \nATOM   1554 N  N   . LYS A 1 218 ? 31.221 26.739 25.640  1.00 31.87  ? 913  LYS A N   1 \nATOM   1555 C  CA  . LYS A 1 218 ? 31.840 26.853 24.324  1.00 30.44  ? 913  LYS A CA  1 \nATOM   1556 C  C   . LYS A 1 218 ? 32.726 25.635 24.099  1.00 30.15  ? 913  LYS A C   1 \nATOM   1557 O  O   . LYS A 1 218 ? 33.561 25.322 24.957  1.00 31.95  ? 913  LYS A O   1 \nATOM   1558 C  CB  . LYS A 1 218 ? 32.678 28.127 24.261  1.00 33.86  ? 913  LYS A CB  1 \nATOM   1559 C  CG  . LYS A 1 218 ? 31.850 29.390 24.443  1.00 37.22  ? 913  LYS A CG  1 \nATOM   1560 C  CD  . LYS A 1 218 ? 32.709 30.561 24.873  1.00 47.03  ? 913  LYS A CD  1 \nATOM   1561 C  CE  . LYS A 1 218 ? 33.432 31.187 23.701  1.00 52.15  ? 913  LYS A CE  1 \nATOM   1562 N  NZ  . LYS A 1 218 ? 32.506 31.976 22.843  1.00 62.51  ? 913  LYS A NZ  1 \nATOM   1563 N  N   . PRO A 1 219 ? 32.540 24.932 22.957  1.00 29.91  ? 914  PRO A N   1 \nATOM   1564 C  CA  . PRO A 1 219 ? 33.326 23.735 22.698  1.00 29.46  ? 914  PRO A CA  1 \nATOM   1565 C  C   . PRO A 1 219 ? 34.805 24.070 22.493  1.00 30.16  ? 914  PRO A C   1 \nATOM   1566 O  O   . PRO A 1 219 ? 35.120 25.034 21.789  1.00 32.58  ? 914  PRO A O   1 \nATOM   1567 C  CB  . PRO A 1 219 ? 32.701 23.145 21.415  1.00 28.86  ? 914  PRO A CB  1 \nATOM   1568 C  CG  . PRO A 1 219 ? 32.010 24.265 20.737  1.00 27.77  ? 914  PRO A CG  1 \nATOM   1569 C  CD  . PRO A 1 219 ? 31.661 25.296 21.828  1.00 29.82  ? 914  PRO A CD  1 \nATOM   1570 N  N   . TYR A 1 220 ? 35.680 23.277 23.111  1.00 31.20  ? 915  TYR A N   1 \nATOM   1571 C  CA  . TYR A 1 220 ? 37.139 23.426 23.013  1.00 34.08  ? 915  TYR A CA  1 \nATOM   1572 C  C   . TYR A 1 220 ? 37.546 24.852 23.358  1.00 37.65  ? 915  TYR A C   1 \nATOM   1573 O  O   . TYR A 1 220 ? 38.325 25.470 22.625  1.00 41.25  ? 915  TYR A O   1 \nATOM   1574 C  CB  . TYR A 1 220 ? 37.664 23.080 21.605  1.00 32.27  ? 915  TYR A CB  1 \nATOM   1575 C  CG  . TYR A 1 220 ? 37.062 21.855 20.975  1.00 32.24  ? 915  TYR A CG  1 \nATOM   1576 C  CD1 . TYR A 1 220 ? 37.496 20.568 21.313  1.00 32.21  ? 915  TYR A CD1 1 \nATOM   1577 C  CD2 . TYR A 1 220 ? 36.074 21.988 20.015  1.00 29.69  ? 915  TYR A CD2 1 \nATOM   1578 C  CE1 . TYR A 1 220 ? 36.922 19.434 20.704  1.00 31.99  ? 915  TYR A CE1 1 \nATOM   1579 C  CE2 . TYR A 1 220 ? 35.506 20.883 19.403  1.00 31.02  ? 915  TYR A CE2 1 \nATOM   1580 C  CZ  . TYR A 1 220 ? 35.929 19.616 19.749  1.00 29.64  ? 915  TYR A CZ  1 \nATOM   1581 O  OH  . TYR A 1 220 ? 35.343 18.557 19.117  1.00 30.72  ? 915  TYR A OH  1 \nATOM   1582 N  N   . ASP A 1 221 ? 37.000 25.371 24.456  1.00 39.65  ? 916  ASP A N   1 \nATOM   1583 C  CA  . ASP A 1 221 ? 37.195 26.773 24.843  1.00 44.35  ? 916  ASP A CA  1 \nATOM   1584 C  C   . ASP A 1 221 ? 38.673 27.031 25.116  1.00 48.28  ? 916  ASP A C   1 \nATOM   1585 O  O   . ASP A 1 221 ? 39.327 26.256 25.814  1.00 51.55  ? 916  ASP A O   1 \nATOM   1586 C  CB  . ASP A 1 221 ? 36.341 27.112 26.076  1.00 46.22  ? 916  ASP A CB  1 \nATOM   1587 C  CG  . ASP A 1 221 ? 36.306 28.613 26.399  1.00 50.45  ? 916  ASP A CG  1 \nATOM   1588 O  OD1 . ASP A 1 221 ? 36.055 28.950 27.571  1.00 59.46  ? 916  ASP A OD1 1 \nATOM   1589 O  OD2 . ASP A 1 221 ? 36.512 29.454 25.498  1.00 54.51  ? 916  ASP A OD2 1 \nATOM   1590 N  N   . GLY A 1 222 ? 39.194 28.105 24.528  1.00 51.38  ? 917  GLY A N   1 \nATOM   1591 C  CA  . GLY A 1 222 ? 40.596 28.488 24.693  1.00 55.04  ? 917  GLY A CA  1 \nATOM   1592 C  C   . GLY A 1 222 ? 41.533 27.859 23.676  1.00 55.10  ? 917  GLY A C   1 \nATOM   1593 O  O   . GLY A 1 222 ? 42.707 28.225 23.612  1.00 57.77  ? 917  GLY A O   1 \nATOM   1594 N  N   . ILE A 1 223 ? 41.018 26.920 22.879  1.00 52.71  ? 918  ILE A N   1 \nATOM   1595 C  CA  . ILE A 1 223 ? 41.831 26.195 21.907  1.00 50.41  ? 918  ILE A CA  1 \nATOM   1596 C  C   . ILE A 1 223 ? 41.637 26.793 20.514  1.00 48.95  ? 918  ILE A C   1 \nATOM   1597 O  O   . ILE A 1 223 ? 40.506 26.880 20.039  1.00 46.36  ? 918  ILE A O   1 \nATOM   1598 C  CB  . ILE A 1 223 ? 41.484 24.684 21.877  1.00 51.59  ? 918  ILE A CB  1 \nATOM   1599 C  CG1 . ILE A 1 223 ? 41.604 24.074 23.280  1.00 52.08  ? 918  ILE A CG1 1 \nATOM   1600 C  CG2 . ILE A 1 223 ? 42.370 23.955 20.866  1.00 48.11  ? 918  ILE A CG2 1 \nATOM   1601 C  CD1 . ILE A 1 223 ? 41.012 22.680 23.416  1.00 54.25  ? 918  ILE A CD1 1 \nATOM   1602 N  N   . PRO A 1 224 ? 42.737 27.223 19.862  1.00 46.98  ? 919  PRO A N   1 \nATOM   1603 C  CA  . PRO A 1 224 ? 42.592 27.823 18.533  1.00 45.55  ? 919  PRO A CA  1 \nATOM   1604 C  C   . PRO A 1 224 ? 42.003 26.856 17.509  1.00 40.74  ? 919  PRO A C   1 \nATOM   1605 O  O   . PRO A 1 224 ? 42.251 25.649 17.574  1.00 40.03  ? 919  PRO A O   1 \nATOM   1606 C  CB  . PRO A 1 224 ? 44.027 28.207 18.138  1.00 48.10  ? 919  PRO A CB  1 \nATOM   1607 C  CG  . PRO A 1 224 ? 44.926 27.581 19.162  1.00 50.64  ? 919  PRO A CG  1 \nATOM   1608 C  CD  . PRO A 1 224 ? 44.106 27.355 20.389  1.00 50.96  ? 919  PRO A CD  1 \nATOM   1609 N  N   . ALA A 1 225 ? 41.240 27.410 16.573  1.00 39.19  ? 920  ALA A N   1 \nATOM   1610 C  CA  . ALA A 1 225 ? 40.576 26.635 15.525  1.00 38.01  ? 920  ALA A CA  1 \nATOM   1611 C  C   . ALA A 1 225 ? 41.572 25.856 14.671  1.00 37.72  ? 920  ALA A C   1 \nATOM   1612 O  O   . ALA A 1 225 ? 41.278 24.748 14.237  1.00 34.61  ? 920  ALA A O   1 \nATOM   1613 C  CB  . ALA A 1 225 ? 39.718 27.543 14.664  1.00 37.43  ? 920  ALA A CB  1 \nATOM   1614 N  N   . SER A 1 226 ? 42.756 26.435 14.453  1.00 39.56  ? 921  SER A N   1 \nATOM   1615 C  CA  . SER A 1 226 ? 43.816 25.811 13.651  1.00 41.09  ? 921  SER A CA  1 \nATOM   1616 C  C   . SER A 1 226 ? 44.374 24.514 14.248  1.00 39.51  ? 921  SER A C   1 \nATOM   1617 O  O   . SER A 1 226 ? 44.936 23.702 13.532  1.00 41.15  ? 921  SER A O   1 \nATOM   1618 C  CB  . SER A 1 226 ? 44.960 26.802 13.404  1.00 42.99  ? 921  SER A CB  1 \nATOM   1619 O  OG  . SER A 1 226 ? 45.530 27.232 14.632  1.00 45.45  ? 921  SER A OG  1 \nATOM   1620 N  N   . GLU A 1 227 ? 44.195 24.323 15.552  1.00 38.88  ? 922  GLU A N   1 \nATOM   1621 C  CA  . GLU A 1 227 ? 44.673 23.123 16.243  1.00 40.36  ? 922  GLU A CA  1 \nATOM   1622 C  C   . GLU A 1 227 ? 43.630 22.000 16.315  1.00 34.99  ? 922  GLU A C   1 \nATOM   1623 O  O   . GLU A 1 227 ? 43.934 20.898 16.765  1.00 37.57  ? 922  GLU A O   1 \nATOM   1624 C  CB  . GLU A 1 227 ? 45.129 23.475 17.664  1.00 40.19  ? 922  GLU A CB  1 \nATOM   1625 C  CG  . GLU A 1 227 ? 46.227 24.532 17.730  1.00 50.69  ? 922  GLU A CG  1 \nATOM   1626 C  CD  . GLU A 1 227 ? 47.630 23.963 17.630  1.00 62.51  ? 922  GLU A CD  1 \nATOM   1627 O  OE1 . GLU A 1 227 ? 48.496 24.428 18.399  1.00 67.59  ? 922  GLU A OE1 1 \nATOM   1628 O  OE2 . GLU A 1 227 ? 47.875 23.064 16.794  1.00 63.44  ? 922  GLU A OE2 1 \nATOM   1629 N  N   . ILE A 1 228 ? 42.415 22.261 15.847  1.00 34.04  ? 923  ILE A N   1 \nATOM   1630 C  CA  . ILE A 1 228 ? 41.309 21.317 16.080  1.00 32.86  ? 923  ILE A CA  1 \nATOM   1631 C  C   . ILE A 1 228 ? 41.478 20.002 15.327  1.00 31.89  ? 923  ILE A C   1 \nATOM   1632 O  O   . ILE A 1 228 ? 41.291 18.930 15.904  1.00 30.78  ? 923  ILE A O   1 \nATOM   1633 C  CB  . ILE A 1 228 ? 39.931 21.973 15.811  1.00 29.98  ? 923  ILE A CB  1 \nATOM   1634 C  CG1 . ILE A 1 228 ? 39.656 23.090 16.828  1.00 33.29  ? 923  ILE A CG1 1 \nATOM   1635 C  CG2 . ILE A 1 228 ? 38.775 20.935 15.782  1.00 33.63  ? 923  ILE A CG2 1 \nATOM   1636 C  CD1 . ILE A 1 228 ? 39.543 22.643 18.288  1.00 33.19  ? 923  ILE A CD1 1 \nATOM   1637 N  N   . SER A 1 229 ? 41.861 20.073 14.052  1.00 33.61  ? 924  SER A N   1 \nATOM   1638 C  CA  . SER A 1 229 ? 42.058 18.848 13.279  1.00 32.89  ? 924  SER A CA  1 \nATOM   1639 C  C   . SER A 1 229 ? 43.096 17.932 13.935  1.00 32.48  ? 924  SER A C   1 \nATOM   1640 O  O   . SER A 1 229 ? 42.884 16.726 14.007  1.00 31.88  ? 924  SER A O   1 \nATOM   1641 C  CB  . SER A 1 229 ? 42.409 19.137 11.808  1.00 31.78  ? 924  SER A CB  1 \nATOM   1642 O  OG  . SER A 1 229 ? 43.701 19.724 11.710  1.00 36.27  ? 924  SER A OG  1 \nATOM   1643 N  N   . SER A 1 230 ? 44.212 18.491 14.419  1.00 36.41  ? 925  SER A N   1 \nATOM   1644 C  CA  . SER A 1 230 ? 45.240 17.668 15.063  1.00 36.88  ? 925  SER A CA  1 \nATOM   1645 C  C   . SER A 1 230 ? 44.765 17.028 16.370  1.00 35.83  ? 925  SER A C   1 \nATOM   1646 O  O   . SER A 1 230 ? 45.093 15.876 16.660  1.00 38.93  ? 925  SER A O   1 \nATOM   1647 C  CB  . SER A 1 230 ? 46.546 18.452 15.272  1.00 37.45  ? 925  SER A CB  1 \nATOM   1648 O  OG  . SER A 1 230 ? 46.424 19.424 16.302  1.00 46.67  ? 925  SER A OG  1 \nATOM   1649 N  N   . ILE A 1 231 ? 44.000 17.790 17.146  1.00 36.00  ? 926  ILE A N   1 \nATOM   1650 C  CA  . ILE A 1 231 ? 43.378 17.318 18.384  1.00 36.07  ? 926  ILE A CA  1 \nATOM   1651 C  C   . ILE A 1 231 ? 42.453 16.128 18.096  1.00 34.84  ? 926  ILE A C   1 \nATOM   1652 O  O   . ILE A 1 231 ? 42.522 15.091 18.764  1.00 34.71  ? 926  ILE A O   1 \nATOM   1653 C  CB  . ILE A 1 231 ? 42.632 18.503 19.078  1.00 37.39  ? 926  ILE A CB  1 \nATOM   1654 C  CG1 . ILE A 1 231 ? 43.631 19.334 19.895  1.00 43.90  ? 926  ILE A CG1 1 \nATOM   1655 C  CG2 . ILE A 1 231 ? 41.412 18.043 19.906  1.00 43.66  ? 926  ILE A CG2 1 \nATOM   1656 C  CD1 . ILE A 1 231 ? 43.025 20.561 20.544  1.00 48.52  ? 926  ILE A CD1 1 \nATOM   1657 N  N   . LEU A 1 232 ? 41.613 16.269 17.079  1.00 32.03  ? 927  LEU A N   1 \nATOM   1658 C  CA  . LEU A 1 232 ? 40.689 15.200 16.705  1.00 29.60  ? 927  LEU A CA  1 \nATOM   1659 C  C   . LEU A 1 232 ? 41.419 13.958 16.201  1.00 32.28  ? 927  LEU A C   1 \nATOM   1660 O  O   . LEU A 1 232 ? 41.043 12.825 16.528  1.00 30.74  ? 927  LEU A O   1 \nATOM   1661 C  CB  . LEU A 1 232 ? 39.680 15.698 15.655  1.00 28.87  ? 927  LEU A CB  1 \nATOM   1662 C  CG  . LEU A 1 232 ? 38.736 16.836 16.084  1.00 28.06  ? 927  LEU A CG  1 \nATOM   1663 C  CD1 . LEU A 1 232 ? 37.942 17.360 14.920  1.00 26.90  ? 927  LEU A CD1 1 \nATOM   1664 C  CD2 . LEU A 1 232 ? 37.801 16.436 17.241  1.00 25.78  ? 927  LEU A CD2 1 \nATOM   1665 N  N   . GLU A 1 233 ? 42.458 14.174 15.396  1.00 33.05  ? 928  GLU A N   1 \nATOM   1666 C  CA  . GLU A 1 233 ? 43.293 13.076 14.914  1.00 37.59  ? 928  GLU A CA  1 \nATOM   1667 C  C   . GLU A 1 233 ? 43.989 12.325 16.045  1.00 36.21  ? 928  GLU A C   1 \nATOM   1668 O  O   . GLU A 1 233 ? 44.231 11.119 15.930  1.00 39.42  ? 928  GLU A O   1 \nATOM   1669 C  CB  . GLU A 1 233 ? 44.322 13.574 13.890  1.00 36.90  ? 928  GLU A CB  1 \nATOM   1670 C  CG  . GLU A 1 233 ? 43.690 13.905 12.531  1.00 40.20  ? 928  GLU A CG  1 \nATOM   1671 C  CD  . GLU A 1 233 ? 44.562 14.784 11.640  1.00 47.96  ? 928  GLU A CD  1 \nATOM   1672 O  OE1 . GLU A 1 233 ? 44.109 15.129 10.532  1.00 53.19  ? 928  GLU A OE1 1 \nATOM   1673 O  OE2 . GLU A 1 233 ? 45.690 15.142 12.044  1.00 48.32  ? 928  GLU A OE2 1 \nATOM   1674 N  N   . LYS A 1 234 ? 44.313 13.035 17.127  1.00 38.83  ? 929  LYS A N   1 \nATOM   1675 C  CA  . LYS A 1 234 ? 44.931 12.417 18.309  1.00 42.03  ? 929  LYS A CA  1 \nATOM   1676 C  C   . LYS A 1 234 ? 43.928 11.641 19.164  1.00 40.81  ? 929  LYS A C   1 \nATOM   1677 O  O   . LYS A 1 234 ? 44.306 10.964 20.120  1.00 42.39  ? 929  LYS A O   1 \nATOM   1678 C  CB  . LYS A 1 234 ? 45.655 13.460 19.178  1.00 43.76  ? 929  LYS A CB  1 \nATOM   1679 C  CG  . LYS A 1 234 ? 47.163 13.391 19.100  1.00 55.69  ? 929  LYS A CG  1 \nATOM   1680 C  CD  . LYS A 1 234 ? 47.773 14.658 18.521  1.00 60.44  ? 929  LYS A CD  1 \nATOM   1681 C  CE  . LYS A 1 234 ? 47.998 15.709 19.603  1.00 61.44  ? 929  LYS A CE  1 \nATOM   1682 N  NZ  . LYS A 1 234 ? 49.158 16.592 19.273  1.00 60.81  ? 929  LYS A NZ  1 \nATOM   1683 N  N   . GLY A 1 235 ? 42.648 11.762 18.829  1.00 36.50  ? 930  GLY A N   1 \nATOM   1684 C  CA  . GLY A 1 235 ? 41.592 11.039 19.534  1.00 36.83  ? 930  GLY A CA  1 \nATOM   1685 C  C   . GLY A 1 235 ? 40.931 11.829 20.647  1.00 34.64  ? 930  GLY A C   1 \nATOM   1686 O  O   . GLY A 1 235 ? 40.070 11.301 21.352  1.00 36.07  ? 930  GLY A O   1 \nATOM   1687 N  N   . GLU A 1 236 ? 41.319 13.097 20.800  1.00 35.18  ? 931  GLU A N   1 \nATOM   1688 C  CA  . GLU A 1 236 ? 40.740 13.951 21.844  1.00 31.69  ? 931  GLU A CA  1 \nATOM   1689 C  C   . GLU A 1 236 ? 39.355 14.376 21.407  1.00 29.64  ? 931  GLU A C   1 \nATOM   1690 O  O   . GLU A 1 236 ? 39.127 14.609 20.220  1.00 28.18  ? 931  GLU A O   1 \nATOM   1691 C  CB  . GLU A 1 236 ? 41.587 15.203 22.109  1.00 30.09  ? 931  GLU A CB  1 \nATOM   1692 C  CG  . GLU A 1 236 ? 43.062 14.942 22.447  1.00 34.75  ? 931  GLU A CG  1 \nATOM   1693 C  CD  . GLU A 1 236 ? 43.857 16.225 22.588  1.00 47.44  ? 931  GLU A CD  1 \nATOM   1694 O  OE1 . GLU A 1 236 ? 45.057 16.223 22.222  1.00 52.38  ? 931  GLU A OE1 1 \nATOM   1695 O  OE2 . GLU A 1 236 ? 43.290 17.234 23.067  1.00 48.55  ? 931  GLU A OE2 1 \nATOM   1696 N  N   . ARG A 1 237 ? 38.434 14.463 22.367  1.00 28.46  ? 932  ARG A N   1 \nATOM   1697 C  CA  . ARG A 1 237 ? 37.065 14.886 22.105  1.00 27.27  ? 932  ARG A CA  1 \nATOM   1698 C  C   . ARG A 1 237 ? 36.600 15.821 23.212  1.00 27.15  ? 932  ARG A C   1 \nATOM   1699 O  O   . ARG A 1 237 ? 37.275 15.982 24.238  1.00 30.35  ? 932  ARG A O   1 \nATOM   1700 C  CB  . ARG A 1 237 ? 36.113 13.679 22.010  1.00 25.76  ? 932  ARG A CB  1 \nATOM   1701 C  CG  . ARG A 1 237 ? 36.391 12.680 20.851  1.00 27.95  ? 932  ARG A CG  1 \nATOM   1702 C  CD  . ARG A 1 237 ? 36.086 13.291 19.483  1.00 26.14  ? 932  ARG A CD  1 \nATOM   1703 N  NE  . ARG A 1 237 ? 36.317 12.334 18.390  1.00 29.11  ? 932  ARG A NE  1 \nATOM   1704 C  CZ  . ARG A 1 237 ? 37.493 12.106 17.798  1.00 31.50  ? 932  ARG A CZ  1 \nATOM   1705 N  NH1 . ARG A 1 237 ? 37.565 11.222 16.804  1.00 32.96  ? 932  ARG A NH1 1 \nATOM   1706 N  NH2 . ARG A 1 237 ? 38.595 12.746 18.182  1.00 30.12  ? 932  ARG A NH2 1 \nATOM   1707 N  N   . LEU A 1 238 ? 35.426 16.415 23.008  1.00 24.31  ? 933  LEU A N   1 \nATOM   1708 C  CA  . LEU A 1 238 ? 34.788 17.214 24.057  1.00 23.89  ? 933  LEU A CA  1 \nATOM   1709 C  C   . LEU A 1 238 ? 34.539 16.321 25.301  1.00 26.68  ? 933  LEU A C   1 \nATOM   1710 O  O   . LEU A 1 238 ? 34.194 15.137 25.156  1.00 28.25  ? 933  LEU A O   1 \nATOM   1711 C  CB  . LEU A 1 238 ? 33.466 17.770 23.531  1.00 24.45  ? 933  LEU A CB  1 \nATOM   1712 C  CG  . LEU A 1 238 ? 33.620 18.838 22.438  1.00 26.43  ? 933  LEU A CG  1 \nATOM   1713 C  CD1 . LEU A 1 238 ? 32.279 19.099 21.726  1.00 26.50  ? 933  LEU A CD1 1 \nATOM   1714 C  CD2 . LEU A 1 238 ? 34.219 20.124 23.014  1.00 27.41  ? 933  LEU A CD2 1 \nATOM   1715 N  N   . PRO A 1 239 ? 34.699 16.885 26.510  1.00 26.67  ? 934  PRO A N   1 \nATOM   1716 C  CA  . PRO A 1 239 ? 34.630 16.088 27.731  1.00 27.54  ? 934  PRO A CA  1 \nATOM   1717 C  C   . PRO A 1 239 ? 33.198 15.742 28.126  1.00 28.74  ? 934  PRO A C   1 \nATOM   1718 O  O   . PRO A 1 239 ? 32.257 16.382 27.666  1.00 28.17  ? 934  PRO A O   1 \nATOM   1719 C  CB  . PRO A 1 239 ? 35.262 17.004 28.785  1.00 29.77  ? 934  PRO A CB  1 \nATOM   1720 C  CG  . PRO A 1 239 ? 34.965 18.379 28.306  1.00 30.40  ? 934  PRO A CG  1 \nATOM   1721 C  CD  . PRO A 1 239 ? 34.966 18.311 26.793  1.00 28.52  ? 934  PRO A CD  1 \nATOM   1722 N  N   . GLN A 1 240 ? 33.044 14.721 28.968  1.00 26.08  ? 935  GLN A N   1 \nATOM   1723 C  CA  . GLN A 1 240 ? 31.719 14.327 29.469  1.00 24.00  ? 935  GLN A CA  1 \nATOM   1724 C  C   . GLN A 1 240 ? 31.095 15.451 30.293  1.00 25.30  ? 935  GLN A C   1 \nATOM   1725 O  O   . GLN A 1 240 ? 31.697 15.905 31.253  1.00 28.79  ? 935  GLN A O   1 \nATOM   1726 C  CB  . GLN A 1 240 ? 31.864 13.086 30.360  1.00 26.34  ? 935  GLN A CB  1 \nATOM   1727 C  CG  . GLN A 1 240 ? 30.538 12.512 30.907  1.00 27.46  ? 935  GLN A CG  1 \nATOM   1728 C  CD  . GLN A 1 240 ? 30.747 11.176 31.631  1.00 31.17  ? 935  GLN A CD  1 \nATOM   1729 O  OE1 . GLN A 1 240 ? 31.855 10.644 31.649  1.00 34.81  ? 935  GLN A OE1 1 \nATOM   1730 N  NE2 . GLN A 1 240 ? 29.686 10.639 32.225  1.00 31.33  ? 935  GLN A NE2 1 \nATOM   1731 N  N   . PRO A 1 241 ? 29.890 15.919 29.897  1.00 24.98  ? 936  PRO A N   1 \nATOM   1732 C  CA  . PRO A 1 241 ? 29.218 16.950 30.715  1.00 27.15  ? 936  PRO A CA  1 \nATOM   1733 C  C   . PRO A 1 241 ? 28.869 16.424 32.110  1.00 29.41  ? 936  PRO A C   1 \nATOM   1734 O  O   . PRO A 1 241 ? 28.385 15.293 32.226  1.00 28.08  ? 936  PRO A O   1 \nATOM   1735 C  CB  . PRO A 1 241 ? 27.941 17.231 29.935  1.00 27.26  ? 936  PRO A CB  1 \nATOM   1736 C  CG  . PRO A 1 241 ? 28.306 16.909 28.504  1.00 25.91  ? 936  PRO A CG  1 \nATOM   1737 C  CD  . PRO A 1 241 ? 29.216 15.712 28.604  1.00 25.67  ? 936  PRO A CD  1 \nATOM   1738 N  N   . PRO A 1 242 ? 29.101 17.239 33.157  1.00 28.29  ? 937  PRO A N   1 \nATOM   1739 C  CA  . PRO A 1 242 ? 28.856 16.816 34.537  1.00 32.13  ? 937  PRO A CA  1 \nATOM   1740 C  C   . PRO A 1 242 ? 27.516 16.117 34.766  1.00 30.95  ? 937  PRO A C   1 \nATOM   1741 O  O   . PRO A 1 242 ? 27.477 15.143 35.526  1.00 32.54  ? 937  PRO A O   1 \nATOM   1742 C  CB  . PRO A 1 242 ? 28.904 18.139 35.316  1.00 32.51  ? 937  PRO A CB  1 \nATOM   1743 C  CG  . PRO A 1 242 ? 29.873 18.966 34.555  1.00 34.53  ? 937  PRO A CG  1 \nATOM   1744 C  CD  . PRO A 1 242 ? 29.719 18.581 33.099  1.00 31.17  ? 937  PRO A CD  1 \nATOM   1745 N  N   . ILE A 1 243 ? 26.444 16.583 34.117  1.00 29.04  ? 938  ILE A N   1 \nATOM   1746 C  CA  . ILE A 1 243 ? 25.107 15.997 34.314  1.00 27.48  ? 938  ILE A CA  1 \nATOM   1747 C  C   . ILE A 1 243 ? 24.878 14.655 33.598  1.00 27.07  ? 938  ILE A C   1 \nATOM   1748 O  O   . ILE A 1 243 ? 23.905 13.962 33.874  1.00 29.84  ? 938  ILE A O   1 \nATOM   1749 C  CB  . ILE A 1 243 ? 23.932 16.987 33.941  1.00 27.56  ? 938  ILE A CB  1 \nATOM   1750 C  CG1 . ILE A 1 243 ? 23.856 17.248 32.430  1.00 25.92  ? 938  ILE A CG1 1 \nATOM   1751 C  CG2 . ILE A 1 243 ? 24.047 18.300 34.724  1.00 27.10  ? 938  ILE A CG2 1 \nATOM   1752 C  CD1 . ILE A 1 243 ? 22.513 17.931 31.991  1.00 26.05  ? 938  ILE A CD1 1 \nATOM   1753 N  N   . CYS A 1 244 ? 25.748 14.319 32.647  1.00 27.31  ? 939  CYS A N   1 \nATOM   1754 C  CA  . CYS A 1 244 ? 25.510 13.160 31.795  1.00 25.73  ? 939  CYS A CA  1 \nATOM   1755 C  C   . CYS A 1 244 ? 26.002 11.874 32.417  1.00 27.22  ? 939  CYS A C   1 \nATOM   1756 O  O   . CYS A 1 244 ? 27.169 11.777 32.832  1.00 29.68  ? 939  CYS A O   1 \nATOM   1757 C  CB  . CYS A 1 244 ? 26.224 13.318 30.461  1.00 24.12  ? 939  CYS A CB  1 \nATOM   1758 S  SG  . CYS A 1 244 ? 25.532 14.619 29.425  1.00 28.55  ? 939  CYS A SG  1 \nATOM   1759 N  N   . THR A 1 245 ? 25.135 10.874 32.411  1.00 27.88  ? 940  THR A N   1 \nATOM   1760 C  CA  . THR A 1 245 ? 25.589 9.504  32.628  1.00 29.32  ? 940  THR A CA  1 \nATOM   1761 C  C   . THR A 1 245 ? 26.442 9.084  31.430  1.00 28.65  ? 940  THR A C   1 \nATOM   1762 O  O   . THR A 1 245 ? 26.434 9.738  30.381  1.00 28.99  ? 940  THR A O   1 \nATOM   1763 C  CB  . THR A 1 245 ? 24.404 8.538  32.750  1.00 30.90  ? 940  THR A CB  1 \nATOM   1764 O  OG1 . THR A 1 245 ? 23.599 8.627  31.566  1.00 31.07  ? 940  THR A OG1 1 \nATOM   1765 C  CG2 . THR A 1 245 ? 23.556 8.856  34.002  1.00 31.78  ? 940  THR A CG2 1 \nATOM   1766 N  N   . ILE A 1 246 ? 27.166 7.976  31.571  1.00 27.67  ? 941  ILE A N   1 \nATOM   1767 C  CA  . ILE A 1 246 ? 27.985 7.472  30.486  1.00 28.63  ? 941  ILE A CA  1 \nATOM   1768 C  C   . ILE A 1 246 ? 27.131 7.086  29.267  1.00 29.10  ? 941  ILE A C   1 \nATOM   1769 O  O   . ILE A 1 246 ? 27.573 7.258  28.135  1.00 28.30  ? 941  ILE A O   1 \nATOM   1770 C  CB  . ILE A 1 246 ? 28.953 6.324  30.957  1.00 32.30  ? 941  ILE A CB  1 \nATOM   1771 C  CG1 . ILE A 1 246 ? 30.111 6.139  29.969  1.00 35.86  ? 941  ILE A CG1 1 \nATOM   1772 C  CG2 . ILE A 1 246 ? 28.203 5.024  31.185  1.00 34.51  ? 941  ILE A CG2 1 \nATOM   1773 C  CD1 . ILE A 1 246 ? 31.122 7.270  29.995  1.00 44.15  ? 941  ILE A CD1 1 \nATOM   1774 N  N   . ASP A 1 247 ? 25.894 6.634  29.509  1.00 28.79  ? 942  ASP A N   1 \nATOM   1775 C  CA  . ASP A 1 247 ? 24.960 6.260  28.437  1.00 29.73  ? 942  ASP A CA  1 \nATOM   1776 C  C   . ASP A 1 247 ? 24.764 7.421  27.461  1.00 28.22  ? 942  ASP A C   1 \nATOM   1777 O  O   . ASP A 1 247 ? 24.788 7.240  26.237  1.00 27.64  ? 942  ASP A O   1 \nATOM   1778 C  CB  . ASP A 1 247 ? 23.584 5.908  29.025  1.00 33.27  ? 942  ASP A CB  1 \nATOM   1779 C  CG  . ASP A 1 247 ? 23.652 4.860  30.121  1.00 46.30  ? 942  ASP A CG  1 \nATOM   1780 O  OD1 . ASP A 1 247 ? 23.088 3.774  29.902  1.00 44.71  ? 942  ASP A OD1 1 \nATOM   1781 O  OD2 . ASP A 1 247 ? 24.243 5.123  31.197  1.00 51.86  ? 942  ASP A OD2 1 \nATOM   1782 N  N   . VAL A 1 248 ? 24.567 8.611  28.018  1.00 27.08  ? 943  VAL A N   1 \nATOM   1783 C  CA  . VAL A 1 248 ? 24.322 9.799  27.193  1.00 26.24  ? 943  VAL A CA  1 \nATOM   1784 C  C   . VAL A 1 248 ? 25.616 10.250 26.536  1.00 25.51  ? 943  VAL A C   1 \nATOM   1785 O  O   . VAL A 1 248 ? 25.627 10.591 25.350  1.00 26.10  ? 943  VAL A O   1 \nATOM   1786 C  CB  . VAL A 1 248 ? 23.658 10.952 28.000  1.00 25.50  ? 943  VAL A CB  1 \nATOM   1787 C  CG1 . VAL A 1 248 ? 23.490 12.195 27.126  1.00 28.25  ? 943  VAL A CG1 1 \nATOM   1788 C  CG2 . VAL A 1 248 ? 22.300 10.510 28.546  1.00 26.90  ? 943  VAL A CG2 1 \nATOM   1789 N  N   . TYR A 1 249 ? 26.714 10.239 27.287  1.00 25.20  ? 944  TYR A N   1 \nATOM   1790 C  CA  . TYR A 1 249 ? 28.000 10.635 26.730  1.00 26.33  ? 944  TYR A CA  1 \nATOM   1791 C  C   . TYR A 1 249 ? 28.403 9.721  25.574  1.00 23.83  ? 944  TYR A C   1 \nATOM   1792 O  O   . TYR A 1 249 ? 28.917 10.191 24.571  1.00 25.75  ? 944  TYR A O   1 \nATOM   1793 C  CB  . TYR A 1 249 ? 29.077 10.696 27.816  1.00 27.81  ? 944  TYR A CB  1 \nATOM   1794 C  CG  . TYR A 1 249 ? 30.395 11.256 27.346  1.00 24.76  ? 944  TYR A CG  1 \nATOM   1795 C  CD1 . TYR A 1 249 ? 31.579 10.581 27.613  1.00 25.88  ? 944  TYR A CD1 1 \nATOM   1796 C  CD2 . TYR A 1 249 ? 30.462 12.462 26.624  1.00 26.22  ? 944  TYR A CD2 1 \nATOM   1797 C  CE1 . TYR A 1 249 ? 32.808 11.073 27.198  1.00 30.09  ? 944  TYR A CE1 1 \nATOM   1798 C  CE2 . TYR A 1 249 ? 31.709 12.968 26.200  1.00 24.65  ? 944  TYR A CE2 1 \nATOM   1799 C  CZ  . TYR A 1 249 ? 32.863 12.265 26.502  1.00 27.51  ? 944  TYR A CZ  1 \nATOM   1800 O  OH  . TYR A 1 249 ? 34.084 12.739 26.088  1.00 28.97  ? 944  TYR A OH  1 \nATOM   1801 N  N   . MET A 1 250 ? 28.111 8.428  25.685  1.00 24.04  ? 945  MET A N   1 \nATOM   1802 C  CA  . MET A 1 250 ? 28.482 7.496  24.629  1.00 26.50  ? 945  MET A CA  1 \nATOM   1803 C  C   . MET A 1 250 ? 27.771 7.821  23.323  1.00 26.19  ? 945  MET A C   1 \nATOM   1804 O  O   . MET A 1 250 ? 28.329 7.586  22.250  1.00 25.32  ? 945  MET A O   1 \nATOM   1805 C  CB  . MET A 1 250 ? 28.222 6.045  25.034  1.00 28.89  ? 945  MET A CB  1 \nATOM   1806 C  CG  . MET A 1 250 ? 29.327 5.418  25.908  1.00 31.07  ? 945  MET A CG  1 \nATOM   1807 S  SD  . MET A 1 250 ? 31.043 5.795  25.419  1.00 45.74  ? 945  MET A SD  1 \nATOM   1808 C  CE  . MET A 1 250 ? 31.359 7.169  26.504  1.00 51.37  ? 945  MET A CE  1 \nATOM   1809 N  N   . ILE A 1 251 ? 26.549 8.343  23.415  1.00 24.96  ? 946  ILE A N   1 \nATOM   1810 C  CA  . ILE A 1 251 ? 25.851 8.796  22.205  1.00 26.43  ? 946  ILE A CA  1 \nATOM   1811 C  C   . ILE A 1 251 ? 26.660 9.901  21.537  1.00 22.42  ? 946  ILE A C   1 \nATOM   1812 O  O   . ILE A 1 251 ? 26.942 9.818  20.336  1.00 24.17  ? 946  ILE A O   1 \nATOM   1813 C  CB  . ILE A 1 251 ? 24.411 9.284  22.486  1.00 26.05  ? 946  ILE A CB  1 \nATOM   1814 C  CG1 . ILE A 1 251 ? 23.556 8.132  22.995  1.00 27.54  ? 946  ILE A CG1 1 \nATOM   1815 C  CG2 . ILE A 1 251 ? 23.789 9.905  21.211  1.00 28.91  ? 946  ILE A CG2 1 \nATOM   1816 C  CD1 . ILE A 1 251 ? 22.214 8.604  23.531  1.00 34.24  ? 946  ILE A CD1 1 \nATOM   1817 N  N   . MET A 1 252 ? 27.024 10.931 22.304  1.00 22.67  ? 947  MET A N   1 \nATOM   1818 C  CA  . MET A 1 252 ? 27.890 12.012 21.793  1.00 24.40  ? 947  MET A CA  1 \nATOM   1819 C  C   . MET A 1 252 ? 29.190 11.469 21.155  1.00 23.85  ? 947  MET A C   1 \nATOM   1820 O  O   . MET A 1 252 ? 29.532 11.817 20.014  1.00 22.66  ? 947  MET A O   1 \nATOM   1821 C  CB  . MET A 1 252 ? 28.222 13.030 22.913  1.00 24.08  ? 947  MET A CB  1 \nATOM   1822 C  CG  . MET A 1 252 ? 27.164 14.068 23.157  1.00 30.72  ? 947  MET A CG  1 \nATOM   1823 S  SD  . MET A 1 252 ? 27.570 14.913 24.730  1.00 33.97  ? 947  MET A SD  1 \nATOM   1824 C  CE  . MET A 1 252 ? 26.394 14.077 25.755  1.00 31.76  ? 947  MET A CE  1 \nATOM   1825 N  N   . VAL A 1 253 ? 29.894 10.600 21.883  1.00 23.14  ? 948  VAL A N   1 \nATOM   1826 C  CA  . VAL A 1 253 ? 31.193 10.060 21.443  1.00 22.80  ? 948  VAL A CA  1 \nATOM   1827 C  C   . VAL A 1 253 ? 31.023 9.324  20.113  1.00 22.66  ? 948  VAL A C   1 \nATOM   1828 O  O   . VAL A 1 253 ? 31.860 9.429  19.217  1.00 23.66  ? 948  VAL A O   1 \nATOM   1829 C  CB  . VAL A 1 253 ? 31.790 9.167  22.554  1.00 24.57  ? 948  VAL A CB  1 \nATOM   1830 C  CG1 . VAL A 1 253 ? 33.051 8.455  22.102  1.00 30.23  ? 948  VAL A CG1 1 \nATOM   1831 C  CG2 . VAL A 1 253 ? 32.125 10.049 23.767  1.00 25.55  ? 948  VAL A CG2 1 \nATOM   1832 N  N   . LYS A 1 254 ? 29.913 8.596  19.988  1.00 23.29  ? 949  LYS A N   1 \nATOM   1833 C  CA  . LYS A 1 254 ? 29.655 7.834  18.767  1.00 23.09  ? 949  LYS A CA  1 \nATOM   1834 C  C   . LYS A 1 254 ? 29.404 8.793  17.610  1.00 21.91  ? 949  LYS A C   1 \nATOM   1835 O  O   . LYS A 1 254 ? 29.741 8.490  16.463  1.00 21.79  ? 949  LYS A O   1 \nATOM   1836 C  CB  . LYS A 1 254 ? 28.438 6.913  18.941  1.00 24.50  ? 949  LYS A CB  1 \nATOM   1837 C  CG  . LYS A 1 254 ? 28.749 5.688  19.801  1.00 33.37  ? 949  LYS A CG  1 \nATOM   1838 C  CD  . LYS A 1 254 ? 27.519 4.841  20.039  1.00 38.72  ? 949  LYS A CD  1 \nATOM   1839 C  CE  . LYS A 1 254 ? 27.843 3.714  20.995  1.00 52.05  ? 949  LYS A CE  1 \nATOM   1840 N  NZ  . LYS A 1 254 ? 26.626 3.275  21.728  1.00 59.08  ? 949  LYS A NZ  1 \nATOM   1841 N  N   . CYS A 1 255 ? 28.785 9.942  17.895  1.00 22.07  ? 950  CYS A N   1 \nATOM   1842 C  CA  . CYS A 1 255 ? 28.642 10.961 16.841  1.00 22.82  ? 950  CYS A CA  1 \nATOM   1843 C  C   . CYS A 1 255 ? 29.979 11.517 16.301  1.00 19.78  ? 950  CYS A C   1 \nATOM   1844 O  O   . CYS A 1 255 ? 30.001 12.110 15.203  1.00 21.56  ? 950  CYS A O   1 \nATOM   1845 C  CB  . CYS A 1 255 ? 27.798 12.120 17.330  1.00 18.47  ? 950  CYS A CB  1 \nATOM   1846 S  SG  . CYS A 1 255 ? 26.088 11.721 17.634  1.00 23.54  ? 950  CYS A SG  1 \nATOM   1847 N  N   . TRP A 1 256 ? 31.067 11.380 17.071  1.00 19.38  ? 951  TRP A N   1 \nATOM   1848 C  CA  . TRP A 1 256 ? 32.365 11.950 16.716  1.00 22.39  ? 951  TRP A CA  1 \nATOM   1849 C  C   . TRP A 1 256 ? 33.382 10.897 16.294  1.00 21.77  ? 951  TRP A C   1 \nATOM   1850 O  O   . TRP A 1 256 ? 34.600 11.135 16.328  1.00 24.53  ? 951  TRP A O   1 \nATOM   1851 C  CB  . TRP A 1 256 ? 32.919 12.790 17.875  1.00 25.68  ? 951  TRP A CB  1 \nATOM   1852 C  CG  . TRP A 1 256 ? 31.972 13.822 18.396  1.00 22.66  ? 951  TRP A CG  1 \nATOM   1853 C  CD1 . TRP A 1 256 ? 31.093 14.587 17.668  1.00 20.80  ? 951  TRP A CD1 1 \nATOM   1854 C  CD2 . TRP A 1 256 ? 31.806 14.189 19.761  1.00 20.91  ? 951  TRP A CD2 1 \nATOM   1855 N  NE1 . TRP A 1 256 ? 30.394 15.428 18.516  1.00 22.55  ? 951  TRP A NE1 1 \nATOM   1856 C  CE2 . TRP A 1 256 ? 30.805 15.199 19.806  1.00 22.60  ? 951  TRP A CE2 1 \nATOM   1857 C  CE3 . TRP A 1 256 ? 32.396 13.753 20.960  1.00 23.70  ? 951  TRP A CE3 1 \nATOM   1858 C  CZ2 . TRP A 1 256 ? 30.397 15.792 21.000  1.00 25.20  ? 951  TRP A CZ2 1 \nATOM   1859 C  CZ3 . TRP A 1 256 ? 31.983 14.350 22.162  1.00 26.16  ? 951  TRP A CZ3 1 \nATOM   1860 C  CH2 . TRP A 1 256 ? 30.986 15.351 22.161  1.00 25.73  ? 951  TRP A CH2 1 \nATOM   1861 N  N   . MET A 1 257 ? 32.909 9.727  15.893  1.00 22.31  ? 952  MET A N   1 \nATOM   1862 C  CA  . MET A 1 257 ? 33.812 8.703  15.380  1.00 26.27  ? 952  MET A CA  1 \nATOM   1863 C  C   . MET A 1 257 ? 34.363 9.146  14.039  1.00 26.25  ? 952  MET A C   1 \nATOM   1864 O  O   . MET A 1 257 ? 33.669 9.802  13.261  1.00 26.15  ? 952  MET A O   1 \nATOM   1865 C  CB  . MET A 1 257 ? 33.048 7.392  15.254  1.00 24.73  ? 952  MET A CB  1 \nATOM   1866 C  CG  . MET A 1 257 ? 32.660 6.876  16.611  1.00 33.06  ? 952  MET A CG  1 \nATOM   1867 S  SD  . MET A 1 257 ? 32.210 5.154  16.582  1.00 41.37  ? 952  MET A SD  1 \nATOM   1868 C  CE  . MET A 1 257 ? 30.516 5.195  16.089  1.00 33.89  ? 952  MET A CE  1 \nATOM   1869 N  N   . ILE A 1 258 ? 35.629 8.818  13.788  1.00 26.89  ? 953  ILE A N   1 \nATOM   1870 C  CA  . ILE A 1 258 ? 36.246 9.191  12.523  1.00 27.37  ? 953  ILE A CA  1 \nATOM   1871 C  C   . ILE A 1 258 ? 35.511 8.536  11.356  1.00 28.80  ? 953  ILE A C   1 \nATOM   1872 O  O   . ILE A 1 258 ? 35.305 9.164  10.312  1.00 27.76  ? 953  ILE A O   1 \nATOM   1873 C  CB  . ILE A 1 258 ? 37.767 8.872  12.522  1.00 29.37  ? 953  ILE A CB  1 \nATOM   1874 C  CG1 . ILE A 1 258 ? 38.486 9.686  13.607  1.00 32.51  ? 953  ILE A CG1 1 \nATOM   1875 C  CG2 . ILE A 1 258 ? 38.390 9.132  11.143  1.00 29.56  ? 953  ILE A CG2 1 \nATOM   1876 C  CD1 . ILE A 1 258 ? 38.211 11.186 13.567  1.00 34.41  ? 953  ILE A CD1 1 \nATOM   1877 N  N   . ASP A 1 259 ? 35.086 7.290  11.546  1.00 28.58  ? 954  ASP A N   1 \nATOM   1878 C  CA  . ASP A 1 259 ? 34.312 6.574  10.516  1.00 31.48  ? 954  ASP A CA  1 \nATOM   1879 C  C   . ASP A 1 259 ? 32.889 7.093  10.457  1.00 29.09  ? 954  ASP A C   1 \nATOM   1880 O  O   . ASP A 1 259 ? 32.035 6.710  11.264  1.00 27.42  ? 954  ASP A O   1 \nATOM   1881 C  CB  . ASP A 1 259 ? 34.362 5.046  10.755  1.00 33.71  ? 954  ASP A CB  1 \nATOM   1882 C  CG  . ASP A 1 259 ? 33.485 4.240  9.769   1.00 38.55  ? 954  ASP A CG  1 \nATOM   1883 O  OD1 . ASP A 1 259 ? 33.350 3.019  9.988   1.00 45.59  ? 954  ASP A OD1 1 \nATOM   1884 O  OD2 . ASP A 1 259 ? 32.925 4.789  8.784   1.00 34.23  ? 954  ASP A OD2 1 \nATOM   1885 N  N   . ALA A 1 260 ? 32.632 7.978  9.487   1.00 25.44  ? 955  ALA A N   1 \nATOM   1886 C  CA  . ALA A 1 260 ? 31.333 8.629  9.353   1.00 26.14  ? 955  ALA A CA  1 \nATOM   1887 C  C   . ALA A 1 260 ? 30.195 7.622  9.226   1.00 24.53  ? 955  ALA A C   1 \nATOM   1888 O  O   . ALA A 1 260 ? 29.108 7.822  9.780   1.00 24.73  ? 955  ALA A O   1 \nATOM   1889 C  CB  . ALA A 1 260 ? 31.342 9.591  8.144   1.00 25.06  ? 955  ALA A CB  1 \nATOM   1890 N  N   . ASP A 1 261 ? 30.440 6.528  8.495   1.00 27.79  ? 956  ASP A N   1 \nATOM   1891 C  CA  . ASP A 1 261 ? 29.406 5.513  8.287   1.00 30.34  ? 956  ASP A CA  1 \nATOM   1892 C  C   . ASP A 1 261 ? 29.016 4.778  9.581   1.00 30.54  ? 956  ASP A C   1 \nATOM   1893 O  O   . ASP A 1 261 ? 27.902 4.237  9.671   1.00 33.36  ? 956  ASP A O   1 \nATOM   1894 C  CB  . ASP A 1 261 ? 29.856 4.478  7.245   1.00 29.77  ? 956  ASP A CB  1 \nATOM   1895 C  CG  . ASP A 1 261 ? 29.845 5.018  5.822   1.00 35.59  ? 956  ASP A CG  1 \nATOM   1896 O  OD1 . ASP A 1 261 ? 29.003 5.886  5.488   1.00 32.81  ? 956  ASP A OD1 1 \nATOM   1897 O  OD2 . ASP A 1 261 ? 30.655 4.527  5.017   1.00 33.87  ? 956  ASP A OD2 1 \nATOM   1898 N  N   . SER A 1 262 ? 29.923 4.779  10.558  1.00 28.54  ? 957  SER A N   1 \nATOM   1899 C  CA  . SER A 1 262 ? 29.717 4.167  11.887  1.00 28.34  ? 957  SER A CA  1 \nATOM   1900 C  C   . SER A 1 262 ? 28.984 5.046  12.902  1.00 28.27  ? 957  SER A C   1 \nATOM   1901 O  O   . SER A 1 262 ? 28.522 4.543  13.939  1.00 29.60  ? 957  SER A O   1 \nATOM   1902 C  CB  . SER A 1 262 ? 31.060 3.764  12.500  1.00 32.30  ? 957  SER A CB  1 \nATOM   1903 O  OG  . SER A 1 262 ? 31.512 2.543  11.942  1.00 41.48  ? 957  SER A OG  1 \nATOM   1904 N  N   . ARG A 1 263 ? 28.885 6.346  12.627  1.00 24.61  ? 958  ARG A N   1 \nATOM   1905 C  CA  . ARG A 1 263 ? 28.097 7.240  13.484  1.00 22.20  ? 958  ARG A CA  1 \nATOM   1906 C  C   . ARG A 1 263 ? 26.638 6.834  13.476  1.00 21.45  ? 958  ARG A C   1 \nATOM   1907 O  O   . ARG A 1 263 ? 26.166 6.236  12.506  1.00 24.96  ? 958  ARG A O   1 \nATOM   1908 C  CB  . ARG A 1 263 ? 28.214 8.699  13.009  1.00 21.16  ? 958  ARG A CB  1 \nATOM   1909 C  CG  . ARG A 1 263 ? 29.674 9.175  13.056  1.00 21.65  ? 958  ARG A CG  1 \nATOM   1910 C  CD  . ARG A 1 263 ? 29.858 10.553 12.437  1.00 19.35  ? 958  ARG A CD  1 \nATOM   1911 N  NE  . ARG A 1 263 ? 31.272 10.800 12.169  1.00 20.35  ? 958  ARG A NE  1 \nATOM   1912 C  CZ  . ARG A 1 263 ? 31.756 11.572 11.193  1.00 22.11  ? 958  ARG A CZ  1 \nATOM   1913 N  NH1 . ARG A 1 263 ? 33.051 11.625 11.005  1.00 22.44  ? 958  ARG A NH1 1 \nATOM   1914 N  NH2 . ARG A 1 263 ? 30.964 12.283 10.385  1.00 20.84  ? 958  ARG A NH2 1 \nATOM   1915 N  N   . PRO A 1 264 ? 25.905 7.186  14.545  1.00 22.71  ? 959  PRO A N   1 \nATOM   1916 C  CA  . PRO A 1 264 ? 24.461 6.919  14.561  1.00 22.41  ? 959  PRO A CA  1 \nATOM   1917 C  C   . PRO A 1 264 ? 23.790 7.641  13.402  1.00 23.43  ? 959  PRO A C   1 \nATOM   1918 O  O   . PRO A 1 264 ? 24.320 8.641  12.901  1.00 23.33  ? 959  PRO A O   1 \nATOM   1919 C  CB  . PRO A 1 264 ? 23.990 7.543  15.874  1.00 26.83  ? 959  PRO A CB  1 \nATOM   1920 C  CG  . PRO A 1 264 ? 25.226 7.696  16.710  1.00 26.46  ? 959  PRO A CG  1 \nATOM   1921 C  CD  . PRO A 1 264 ? 26.347 7.922  15.747  1.00 24.34  ? 959  PRO A CD  1 \nATOM   1922 N  N   . LYS A 1 265 ? 22.654 7.116  12.976  1.00 23.53  ? 960  LYS A N   1 \nATOM   1923 C  CA  . LYS A 1 265 ? 21.785 7.822  12.027  1.00 25.17  ? 960  LYS A CA  1 \nATOM   1924 C  C   . LYS A 1 265 ? 20.776 8.620  12.816  1.00 22.50  ? 960  LYS A C   1 \nATOM   1925 O  O   . LYS A 1 265 ? 20.427 8.229  13.941  1.00 22.33  ? 960  LYS A O   1 \nATOM   1926 C  CB  . LYS A 1 265 ? 21.029 6.828  11.152  1.00 24.11  ? 960  LYS A CB  1 \nATOM   1927 C  CG  . LYS A 1 265 ? 21.946 5.806  10.468  1.00 29.79  ? 960  LYS A CG  1 \nATOM   1928 C  CD  . LYS A 1 265 ? 22.926 6.510  9.544   1.00 34.48  ? 960  LYS A CD  1 \nATOM   1929 C  CE  . LYS A 1 265 ? 24.015 5.541  9.091   1.00 46.65  ? 960  LYS A CE  1 \nATOM   1930 N  NZ  . LYS A 1 265 ? 24.150 5.544  7.614   1.00 56.33  ? 960  LYS A NZ  1 \nATOM   1931 N  N   . PHE A 1 266 ? 20.270 9.710  12.230  1.00 21.55  ? 961  PHE A N   1 \nATOM   1932 C  CA  . PHE A 1 266 ? 19.240 10.497 12.936  1.00 20.66  ? 961  PHE A CA  1 \nATOM   1933 C  C   . PHE A 1 266 ? 18.007 9.663  13.351  1.00 22.83  ? 961  PHE A C   1 \nATOM   1934 O  O   . PHE A 1 266 ? 17.487 9.864  14.446  1.00 21.55  ? 961  PHE A O   1 \nATOM   1935 C  CB  . PHE A 1 266 ? 18.833 11.764 12.164  1.00 21.94  ? 961  PHE A CB  1 \nATOM   1936 C  CG  . PHE A 1 266 ? 19.912 12.838 12.137  1.00 21.43  ? 961  PHE A CG  1 \nATOM   1937 C  CD1 . PHE A 1 266 ? 20.299 13.489 13.314  1.00 21.72  ? 961  PHE A CD1 1 \nATOM   1938 C  CD2 . PHE A 1 266 ? 20.537 13.199 10.932  1.00 20.71  ? 961  PHE A CD2 1 \nATOM   1939 C  CE1 . PHE A 1 266 ? 21.311 14.455 13.304  1.00 24.87  ? 961  PHE A CE1 1 \nATOM   1940 C  CE2 . PHE A 1 266 ? 21.554 14.181 10.921  1.00 23.08  ? 961  PHE A CE2 1 \nATOM   1941 C  CZ  . PHE A 1 266 ? 21.931 14.809 12.106  1.00 17.07  ? 961  PHE A CZ  1 \nATOM   1942 N  N   . ARG A 1 267 ? 17.573 8.708  12.508  1.00 24.31  ? 962  ARG A N   1 \nATOM   1943 C  CA  . ARG A 1 267 ? 16.474 7.815  12.896  1.00 26.99  ? 962  ARG A CA  1 \nATOM   1944 C  C   . ARG A 1 267 ? 16.754 7.056  14.199  1.00 25.97  ? 962  ARG A C   1 \nATOM   1945 O  O   . ARG A 1 267 ? 15.854 6.903  15.035  1.00 27.47  ? 962  ARG A O   1 \nATOM   1946 C  CB  . ARG A 1 267 ? 16.068 6.850  11.763  1.00 28.25  ? 962  ARG A CB  1 \nATOM   1947 C  CG  . ARG A 1 267 ? 17.214 6.331  10.934  1.00 40.31  ? 962  ARG A CG  1 \nATOM   1948 C  CD  . ARG A 1 267 ? 17.410 4.826  11.084  1.00 51.54  ? 962  ARG A CD  1 \nATOM   1949 N  NE  . ARG A 1 267 ? 18.114 4.197  9.958   1.00 52.83  ? 962  ARG A NE  1 \nATOM   1950 C  CZ  . ARG A 1 267 ? 18.492 4.800  8.828   1.00 55.24  ? 962  ARG A CZ  1 \nATOM   1951 N  NH1 . ARG A 1 267 ? 19.123 4.095  7.895   1.00 59.64  ? 962  ARG A NH1 1 \nATOM   1952 N  NH2 . ARG A 1 267 ? 18.256 6.095  8.619   1.00 46.05  ? 962  ARG A NH2 1 \nATOM   1953 N  N   . GLU A 1 268 ? 17.996 6.618  14.365  1.00 25.89  ? 963  GLU A N   1 \nATOM   1954 C  CA  . GLU A 1 268 ? 18.419 5.863  15.556  1.00 26.44  ? 963  GLU A CA  1 \nATOM   1955 C  C   . GLU A 1 268 ? 18.491 6.788  16.754  1.00 24.12  ? 963  GLU A C   1 \nATOM   1956 O  O   . GLU A 1 268 ? 18.158 6.397  17.883  1.00 25.01  ? 963  GLU A O   1 \nATOM   1957 C  CB  . GLU A 1 268 ? 19.770 5.195  15.334  1.00 28.33  ? 963  GLU A CB  1 \nATOM   1958 C  CG  . GLU A 1 268 ? 19.740 4.125  14.230  1.00 31.14  ? 963  GLU A CG  1 \nATOM   1959 C  CD  . GLU A 1 268 ? 21.120 3.655  13.818  1.00 38.53  ? 963  GLU A CD  1 \nATOM   1960 O  OE1 . GLU A 1 268 ? 21.220 2.539  13.274  1.00 42.02  ? 963  GLU A OE1 1 \nATOM   1961 O  OE2 . GLU A 1 268 ? 22.109 4.376  14.040  1.00 33.00  ? 963  GLU A OE2 1 \nATOM   1962 N  N   . LEU A 1 269 ? 18.908 8.020  16.496  1.00 22.01  ? 964  LEU A N   1 \nATOM   1963 C  CA  . LEU A 1 269 ? 19.012 9.019  17.565  1.00 21.83  ? 964  LEU A CA  1 \nATOM   1964 C  C   . LEU A 1 269 ? 17.637 9.415  18.094  1.00 24.14  ? 964  LEU A C   1 \nATOM   1965 O  O   . LEU A 1 269 ? 17.496 9.648  19.295  1.00 26.36  ? 964  LEU A O   1 \nATOM   1966 C  CB  . LEU A 1 269 ? 19.778 10.263 17.098  1.00 21.75  ? 964  LEU A CB  1 \nATOM   1967 C  CG  . LEU A 1 269 ? 21.267 10.015 16.819  1.00 22.08  ? 964  LEU A CG  1 \nATOM   1968 C  CD1 . LEU A 1 269 ? 21.859 11.138 15.988  1.00 23.36  ? 964  LEU A CD1 1 \nATOM   1969 C  CD2 . LEU A 1 269 ? 22.054 9.846  18.127  1.00 27.20  ? 964  LEU A CD2 1 \nATOM   1970 N  N   . ILE A 1 270 ? 16.626 9.476  17.215  1.00 23.07  ? 965  ILE A N   1 \nATOM   1971 C  CA  . ILE A 1 270 ? 15.247 9.739  17.644  1.00 23.38  ? 965  ILE A CA  1 \nATOM   1972 C  C   . ILE A 1 270 ? 14.811 8.635  18.605  1.00 26.75  ? 965  ILE A C   1 \nATOM   1973 O  O   . ILE A 1 270 ? 14.356 8.918  19.703  1.00 25.91  ? 965  ILE A O   1 \nATOM   1974 C  CB  . ILE A 1 270 ? 14.248 9.820  16.458  1.00 23.79  ? 965  ILE A CB  1 \nATOM   1975 C  CG1 . ILE A 1 270 ? 14.512 11.060 15.606  1.00 22.90  ? 965  ILE A CG1 1 \nATOM   1976 C  CG2 . ILE A 1 270 ? 12.808 9.870  16.975  1.00 25.16  ? 965  ILE A CG2 1 \nATOM   1977 C  CD1 . ILE A 1 270 ? 13.925 10.967 14.197  1.00 26.71  ? 965  ILE A CD1 1 \nATOM   1978 N  N   . ILE A 1 271 ? 14.983 7.387  18.185  1.00 25.74  ? 966  ILE A N   1 \nATOM   1979 C  CA  . ILE A 1 271 ? 14.649 6.217  19.009  1.00 26.57  ? 966  ILE A CA  1 \nATOM   1980 C  C   . ILE A 1 271 ? 15.368 6.209  20.367  1.00 27.16  ? 966  ILE A C   1 \nATOM   1981 O  O   . ILE A 1 271 ? 14.727 6.057  21.414  1.00 28.98  ? 966  ILE A O   1 \nATOM   1982 C  CB  . ILE A 1 271 ? 14.896 4.891  18.229  1.00 27.33  ? 966  ILE A CB  1 \nATOM   1983 C  CG1 . ILE A 1 271 ? 13.929 4.793  17.034  1.00 28.72  ? 966  ILE A CG1 1 \nATOM   1984 C  CG2 . ILE A 1 271 ? 14.755 3.654  19.172  1.00 32.29  ? 966  ILE A CG2 1 \nATOM   1985 C  CD1 . ILE A 1 271 ? 14.340 3.754  15.973  1.00 35.97  ? 966  ILE A CD1 1 \nATOM   1986 N  N   . GLU A 1 272 ? 16.683 6.407  20.365  1.00 25.54  ? 967  GLU A N   1 \nATOM   1987 C  CA  . GLU A 1 272 ? 17.437 6.333  21.623  1.00 26.95  ? 967  GLU A CA  1 \nATOM   1988 C  C   . GLU A 1 272 ? 17.072 7.453  22.589  1.00 26.05  ? 967  GLU A C   1 \nATOM   1989 O  O   . GLU A 1 272 ? 16.818 7.203  23.784  1.00 27.31  ? 967  GLU A O   1 \nATOM   1990 C  CB  . GLU A 1 272 ? 18.948 6.313  21.377  1.00 28.76  ? 967  GLU A CB  1 \nATOM   1991 C  CG  . GLU A 1 272 ? 19.738 6.221  22.690  1.00 40.75  ? 967  GLU A CG  1 \nATOM   1992 C  CD  . GLU A 1 272 ? 21.037 5.452  22.576  1.00 52.12  ? 967  GLU A CD  1 \nATOM   1993 O  OE1 . GLU A 1 272 ? 21.749 5.615  21.560  1.00 53.08  ? 967  GLU A OE1 1 \nATOM   1994 O  OE2 . GLU A 1 272 ? 21.356 4.694  23.523  1.00 57.62  ? 967  GLU A OE2 1 \nATOM   1995 N  N   . PHE A 1 273 ? 17.051 8.691  22.102  1.00 24.07  ? 968  PHE A N   1 \nATOM   1996 C  CA  . PHE A 1 273 ? 16.682 9.778  23.000  1.00 22.11  ? 968  PHE A CA  1 \nATOM   1997 C  C   . PHE A 1 273 ? 15.201 9.713  23.454  1.00 25.27  ? 968  PHE A C   1 \nATOM   1998 O  O   . PHE A 1 273 ? 14.888 10.124 24.577  1.00 24.34  ? 968  PHE A O   1 \nATOM   1999 C  CB  . PHE A 1 273 ? 17.040 11.158 22.401  1.00 23.95  ? 968  PHE A CB  1 \nATOM   2000 C  CG  . PHE A 1 273 ? 18.480 11.542 22.597  1.00 24.85  ? 968  PHE A CG  1 \nATOM   2001 C  CD1 . PHE A 1 273 ? 18.946 11.945 23.856  1.00 27.23  ? 968  PHE A CD1 1 \nATOM   2002 C  CD2 . PHE A 1 273 ? 19.351 11.564 21.527  1.00 24.84  ? 968  PHE A CD2 1 \nATOM   2003 C  CE1 . PHE A 1 273 ? 20.274 12.326 24.039  1.00 26.84  ? 968  PHE A CE1 1 \nATOM   2004 C  CE2 . PHE A 1 273 ? 20.691 11.949 21.698  1.00 25.12  ? 968  PHE A CE2 1 \nATOM   2005 C  CZ  . PHE A 1 273 ? 21.152 12.327 22.954  1.00 27.40  ? 968  PHE A CZ  1 \nATOM   2006 N  N   . SER A 1 274 ? 14.304 9.206  22.598  1.00 25.70  ? 969  SER A N   1 \nATOM   2007 C  CA  . SER A 1 274 ? 12.897 9.002  22.969  1.00 25.35  ? 969  SER A CA  1 \nATOM   2008 C  C   . SER A 1 274 ? 12.776 7.995  24.109  1.00 28.54  ? 969  SER A C   1 \nATOM   2009 O  O   . SER A 1 274 ? 11.998 8.199  25.038  1.00 30.87  ? 969  SER A O   1 \nATOM   2010 C  CB  . SER A 1 274 ? 12.051 8.550  21.774  1.00 29.89  ? 969  SER A CB  1 \nATOM   2011 O  OG  . SER A 1 274 ? 11.914 9.600  20.823  1.00 30.66  ? 969  SER A OG  1 \nATOM   2012 N  N   . LYS A 1 275 ? 13.559 6.919  24.030  1.00 28.57  ? 970  LYS A N   1 \nATOM   2013 C  CA  . LYS A 1 275 ? 13.650 5.940  25.124  1.00 27.87  ? 970  LYS A CA  1 \nATOM   2014 C  C   . LYS A 1 275 ? 14.137 6.617  26.407  1.00 27.90  ? 970  LYS A C   1 \nATOM   2015 O  O   . LYS A 1 275 ? 13.569 6.410  27.484  1.00 30.23  ? 970  LYS A O   1 \nATOM   2016 C  CB  . LYS A 1 275 ? 14.586 4.789  24.734  1.00 28.83  ? 970  LYS A CB  1 \nATOM   2017 C  CG  . LYS A 1 275 ? 14.771 3.726  25.816  1.00 39.48  ? 970  LYS A CG  1 \nATOM   2018 C  CD  . LYS A 1 275 ? 15.856 2.707  25.443  1.00 47.36  ? 970  LYS A CD  1 \nATOM   2019 C  CE  . LYS A 1 275 ? 17.261 3.320  25.492  1.00 53.08  ? 970  LYS A CE  1 \nATOM   2020 N  NZ  . LYS A 1 275 ? 18.301 2.352  25.069  1.00 55.36  ? 970  LYS A NZ  1 \nATOM   2021 N  N   . MET A 1 276 ? 15.204 7.410  26.300  1.00 28.76  ? 971  MET A N   1 \nATOM   2022 C  CA  . MET A 1 276 ? 15.732 8.111  27.477  1.00 28.15  ? 971  MET A CA  1 \nATOM   2023 C  C   . MET A 1 276 ? 14.733 9.111  28.061  1.00 30.50  ? 971  MET A C   1 \nATOM   2024 O  O   . MET A 1 276 ? 14.622 9.251  29.286  1.00 32.07  ? 971  MET A O   1 \nATOM   2025 C  CB  . MET A 1 276 ? 17.065 8.781  27.162  1.00 30.98  ? 971  MET A CB  1 \nATOM   2026 C  CG  . MET A 1 276 ? 18.193 7.771  26.917  1.00 30.64  ? 971  MET A CG  1 \nATOM   2027 S  SD  . MET A 1 276 ? 19.718 8.630  26.614  1.00 32.73  ? 971  MET A SD  1 \nATOM   2028 C  CE  . MET A 1 276 ? 20.895 7.287  26.496  1.00 33.47  ? 971  MET A CE  1 \nATOM   2029 N  N   . ALA A 1 277 ? 13.994 9.783  27.184  1.00 29.10  ? 972  ALA A N   1 \nATOM   2030 C  CA  . ALA A 1 277 ? 12.999 10.776 27.607  1.00 31.05  ? 972  ALA A CA  1 \nATOM   2031 C  C   . ALA A 1 277 ? 11.844 10.181 28.422  1.00 34.51  ? 972  ALA A C   1 \nATOM   2032 O  O   . ALA A 1 277 ? 11.160 10.909 29.137  1.00 34.30  ? 972  ALA A O   1 \nATOM   2033 C  CB  . ALA A 1 277 ? 12.482 11.572 26.396  1.00 31.47  ? 972  ALA A CB  1 \nATOM   2034 N  N   . ARG A 1 278 ? 11.646 8.867  28.329  1.00 33.95  ? 973  ARG A N   1 \nATOM   2035 C  CA  . ARG A 1 278 ? 10.633 8.172  29.126  1.00 36.66  ? 973  ARG A CA  1 \nATOM   2036 C  C   . ARG A 1 278 ? 11.060 7.886  30.576  1.00 37.42  ? 973  ARG A C   1 \nATOM   2037 O  O   . ARG A 1 278 ? 10.217 7.562  31.412  1.00 39.09  ? 973  ARG A O   1 \nATOM   2038 C  CB  . ARG A 1 278 ? 10.180 6.893  28.415  1.00 36.87  ? 973  ARG A CB  1 \nATOM   2039 C  CG  . ARG A 1 278 ? 9.343  7.185  27.170  1.00 40.76  ? 973  ARG A CG  1 \nATOM   2040 C  CD  . ARG A 1 278 ? 8.696  5.939  26.594  1.00 51.78  ? 973  ARG A CD  1 \nATOM   2041 N  NE  . ARG A 1 278 ? 9.653  5.069  25.918  1.00 55.72  ? 973  ARG A NE  1 \nATOM   2042 C  CZ  . ARG A 1 278 ? 10.008 5.182  24.640  1.00 59.15  ? 973  ARG A CZ  1 \nATOM   2043 N  NH1 . ARG A 1 278 ? 9.491  6.135  23.874  1.00 61.25  ? 973  ARG A NH1 1 \nATOM   2044 N  NH2 . ARG A 1 278 ? 10.885 4.336  24.123  1.00 61.38  ? 973  ARG A NH2 1 \nATOM   2045 N  N   . ASP A 1 279 ? 12.354 8.021  30.872  1.00 34.45  ? 974  ASP A N   1 \nATOM   2046 C  CA  . ASP A 1 279 ? 12.876 7.849  32.242  1.00 34.44  ? 974  ASP A CA  1 \nATOM   2047 C  C   . ASP A 1 279 ? 14.064 8.803  32.417  1.00 33.66  ? 974  ASP A C   1 \nATOM   2048 O  O   . ASP A 1 279 ? 15.208 8.372  32.594  1.00 33.60  ? 974  ASP A O   1 \nATOM   2049 C  CB  . ASP A 1 279 ? 13.267 6.378  32.495  1.00 35.82  ? 974  ASP A CB  1 \nATOM   2050 C  CG  . ASP A 1 279 ? 13.581 6.078  33.966  1.00 40.84  ? 974  ASP A CG  1 \nATOM   2051 O  OD1 . ASP A 1 279 ? 13.396 6.950  34.841  1.00 40.09  ? 974  ASP A OD1 1 \nATOM   2052 O  OD2 . ASP A 1 279 ? 14.024 4.939  34.243  1.00 44.49  ? 974  ASP A OD2 1 \nATOM   2053 N  N   . PRO A 1 280 ? 13.794 10.119 32.348  1.00 33.58  ? 975  PRO A N   1 \nATOM   2054 C  CA  . PRO A 1 280 ? 14.880 11.075 32.187  1.00 30.95  ? 975  PRO A CA  1 \nATOM   2055 C  C   . PRO A 1 280 ? 15.899 11.113 33.319  1.00 30.46  ? 975  PRO A C   1 \nATOM   2056 O  O   . PRO A 1 280 ? 17.078 11.323 33.061  1.00 30.12  ? 975  PRO A O   1 \nATOM   2057 C  CB  . PRO A 1 280 ? 14.151 12.418 32.045  1.00 31.11  ? 975  PRO A CB  1 \nATOM   2058 C  CG  . PRO A 1 280 ? 12.805 12.199 32.633  1.00 35.57  ? 975  PRO A CG  1 \nATOM   2059 C  CD  . PRO A 1 280 ? 12.471 10.778 32.373  1.00 32.63  ? 975  PRO A CD  1 \nATOM   2060 N  N   . GLN A 1 281 ? 15.455 10.903 34.563  1.00 31.92  ? 976  GLN A N   1 \nATOM   2061 C  CA  . GLN A 1 281 ? 16.360 10.954 35.716  1.00 33.81  ? 976  GLN A CA  1 \nATOM   2062 C  C   . GLN A 1 281 ? 17.338 9.773  35.819  1.00 35.33  ? 976  GLN A C   1 \nATOM   2063 O  O   . GLN A 1 281 ? 18.296 9.811  36.601  1.00 35.81  ? 976  GLN A O   1 \nATOM   2064 C  CB  . GLN A 1 281 ? 15.564 11.133 37.010  1.00 34.11  ? 976  GLN A CB  1 \nATOM   2065 C  CG  . GLN A 1 281 ? 14.596 12.307 36.943  1.00 36.68  ? 976  GLN A CG  1 \nATOM   2066 C  CD  . GLN A 1 281 ? 14.035 12.674 38.298  1.00 52.99  ? 976  GLN A CD  1 \nATOM   2067 O  OE1 . GLN A 1 281 ? 12.834 12.543 38.540  1.00 59.04  ? 976  GLN A OE1 1 \nATOM   2068 N  NE2 . GLN A 1 281 ? 14.902 13.135 39.192  1.00 52.74  ? 976  GLN A NE2 1 \nATOM   2069 N  N   . ARG A 1 282 ? 17.102 8.730  35.027  1.00 32.72  ? 977  ARG A N   1 \nATOM   2070 C  CA  . ARG A 1 282 ? 18.070 7.642  34.891  1.00 33.17  ? 977  ARG A CA  1 \nATOM   2071 C  C   . ARG A 1 282 ? 19.296 8.066  34.091  1.00 31.11  ? 977  ARG A C   1 \nATOM   2072 O  O   . ARG A 1 282 ? 20.400 7.567  34.314  1.00 33.00  ? 977  ARG A O   1 \nATOM   2073 C  CB  . ARG A 1 282 ? 17.407 6.406  34.264  1.00 34.26  ? 977  ARG A CB  1 \nATOM   2074 C  CG  . ARG A 1 282 ? 18.376 5.295  33.864  1.00 37.35  ? 977  ARG A CG  1 \nATOM   2075 C  CD  . ARG A 1 282 ? 17.640 4.019  33.468  1.00 37.91  ? 977  ARG A CD  1 \nATOM   2076 N  NE  . ARG A 1 282 ? 18.559 3.054  32.871  1.00 44.21  ? 977  ARG A NE  1 \nATOM   2077 C  CZ  . ARG A 1 282 ? 18.200 1.870  32.373  1.00 44.10  ? 977  ARG A CZ  1 \nATOM   2078 N  NH1 . ARG A 1 282 ? 19.118 1.072  31.849  1.00 45.44  ? 977  ARG A NH1 1 \nATOM   2079 N  NH2 . ARG A 1 282 ? 16.927 1.491  32.383  1.00 39.62  ? 977  ARG A NH2 1 \nATOM   2080 N  N   . TYR A 1 283 ? 19.101 9.012  33.169  1.00 30.04  ? 978  TYR A N   1 \nATOM   2081 C  CA  . TYR A 1 283 ? 20.096 9.309  32.151  1.00 29.52  ? 978  TYR A CA  1 \nATOM   2082 C  C   . TYR A 1 283 ? 20.825 10.623 32.359  1.00 26.99  ? 978  TYR A C   1 \nATOM   2083 O  O   . TYR A 1 283 ? 21.978 10.767 31.933  1.00 27.46  ? 978  TYR A O   1 \nATOM   2084 C  CB  . TYR A 1 283 ? 19.438 9.224  30.760  1.00 27.56  ? 978  TYR A CB  1 \nATOM   2085 C  CG  . TYR A 1 283 ? 18.989 7.810  30.480  1.00 28.05  ? 978  TYR A CG  1 \nATOM   2086 C  CD1 . TYR A 1 283 ? 17.645 7.459  30.559  1.00 26.43  ? 978  TYR A CD1 1 \nATOM   2087 C  CD2 . TYR A 1 283 ? 19.916 6.815  30.170  1.00 31.82  ? 978  TYR A CD2 1 \nATOM   2088 C  CE1 . TYR A 1 283 ? 17.230 6.162  30.336  1.00 28.54  ? 978  TYR A CE1 1 \nATOM   2089 C  CE2 . TYR A 1 283 ? 19.506 5.513  29.934  1.00 33.02  ? 978  TYR A CE2 1 \nATOM   2090 C  CZ  . TYR A 1 283 ? 18.161 5.197  30.018  1.00 36.15  ? 978  TYR A CZ  1 \nATOM   2091 O  OH  . TYR A 1 283 ? 17.746 3.910  29.791  1.00 37.21  ? 978  TYR A OH  1 \nATOM   2092 N  N   . LEU A 1 284 ? 20.167 11.567 33.032  1.00 27.26  ? 979  LEU A N   1 \nATOM   2093 C  CA  . LEU A 1 284 ? 20.808 12.821 33.410  1.00 27.57  ? 979  LEU A CA  1 \nATOM   2094 C  C   . LEU A 1 284 ? 20.629 13.051 34.895  1.00 30.19  ? 979  LEU A C   1 \nATOM   2095 O  O   . LEU A 1 284 ? 19.525 12.875 35.413  1.00 30.43  ? 979  LEU A O   1 \nATOM   2096 C  CB  . LEU A 1 284 ? 20.222 13.998 32.637  1.00 27.75  ? 979  LEU A CB  1 \nATOM   2097 C  CG  . LEU A 1 284 ? 20.303 13.959 31.103  1.00 25.78  ? 979  LEU A CG  1 \nATOM   2098 C  CD1 . LEU A 1 284 ? 19.543 15.125 30.473  1.00 28.32  ? 979  LEU A CD1 1 \nATOM   2099 C  CD2 . LEU A 1 284 ? 21.743 13.934 30.623  1.00 27.48  ? 979  LEU A CD2 1 \nATOM   2100 N  N   . VAL A 1 285 ? 21.711 13.459 35.552  1.00 29.18  ? 980  VAL A N   1 \nATOM   2101 C  CA  . VAL A 1 285 ? 21.733 13.670 37.020  1.00 28.72  ? 980  VAL A CA  1 \nATOM   2102 C  C   . VAL A 1 285 ? 21.823 15.174 37.281  1.00 30.86  ? 980  VAL A C   1 \nATOM   2103 O  O   . VAL A 1 285 ? 22.898 15.774 37.163  1.00 33.39  ? 980  VAL A O   1 \nATOM   2104 C  CB  . VAL A 1 285 ? 22.904 12.907 37.651  1.00 30.87  ? 980  VAL A CB  1 \nATOM   2105 C  CG1 . VAL A 1 285 ? 22.978 13.118 39.175  1.00 35.09  ? 980  VAL A CG1 1 \nATOM   2106 C  CG2 . VAL A 1 285 ? 22.781 11.413 37.332  1.00 36.06  ? 980  VAL A CG2 1 \nATOM   2107 N  N   . ILE A 1 286 ? 20.678 15.774 37.585  1.00 30.91  ? 981  ILE A N   1 \nATOM   2108 C  CA  . ILE A 1 286 ? 20.572 17.227 37.766  1.00 33.39  ? 981  ILE A CA  1 \nATOM   2109 C  C   . ILE A 1 286 ? 20.065 17.520 39.180  1.00 38.62  ? 981  ILE A C   1 \nATOM   2110 O  O   . ILE A 1 286 ? 18.990 17.061 39.574  1.00 37.37  ? 981  ILE A O   1 \nATOM   2111 C  CB  . ILE A 1 286 ? 19.649 17.883 36.705  1.00 34.82  ? 981  ILE A CB  1 \nATOM   2112 C  CG1 . ILE A 1 286 ? 20.233 17.684 35.300  1.00 35.69  ? 981  ILE A CG1 1 \nATOM   2113 C  CG2 . ILE A 1 286 ? 19.471 19.378 36.963  1.00 38.79  ? 981  ILE A CG2 1 \nATOM   2114 C  CD1 . ILE A 1 286 ? 19.255 18.014 34.169  1.00 31.05  ? 981  ILE A CD1 1 \nATOM   2115 N  N   . GLN A 1 287 ? 20.861 18.283 39.922  1.00 40.65  ? 982  GLN A N   1 \nATOM   2116 C  CA  . GLN A 1 287 ? 20.504 18.740 41.264  1.00 44.27  ? 982  GLN A CA  1 \nATOM   2117 C  C   . GLN A 1 287 ? 19.153 19.458 41.250  1.00 41.93  ? 982  GLN A C   1 \nATOM   2118 O  O   . GLN A 1 287 ? 18.977 20.433 40.518  1.00 44.92  ? 982  GLN A O   1 \nATOM   2119 C  CB  . GLN A 1 287 ? 21.587 19.688 41.798  1.00 47.75  ? 982  GLN A CB  1 \nATOM   2120 C  CG  . GLN A 1 287 ? 23.019 19.156 41.687  1.00 55.80  ? 982  GLN A CG  1 \nATOM   2121 C  CD  . GLN A 1 287 ? 24.064 20.130 42.222  1.00 65.79  ? 982  GLN A CD  1 \nATOM   2122 O  OE1 . GLN A 1 287 ? 25.028 20.461 41.530  1.00 69.10  ? 982  GLN A OE1 1 \nATOM   2123 N  NE2 . GLN A 1 287 ? 23.876 20.591 43.459  1.00 69.33  ? 982  GLN A NE2 1 \nATOM   2124 N  N   . GLY A 1 288 ? 18.202 18.957 42.039  1.00 63.94  ? 983  GLY A N   1 \nATOM   2125 C  CA  . GLY A 1 288 ? 16.881 19.578 42.181  1.00 61.11  ? 983  GLY A CA  1 \nATOM   2126 C  C   . GLY A 1 288 ? 16.034 19.522 40.920  1.00 57.00  ? 983  GLY A C   1 \nATOM   2127 O  O   . GLY A 1 288 ? 15.239 20.427 40.649  1.00 55.57  ? 983  GLY A O   1 \nATOM   2128 N  N   . ASP A 1 289 ? 16.202 18.444 40.160  1.00 53.19  ? 984  ASP A N   1 \nATOM   2129 C  CA  . ASP A 1 289 ? 15.492 18.237 38.900  1.00 52.21  ? 984  ASP A CA  1 \nATOM   2130 C  C   . ASP A 1 289 ? 13.986 18.470 39.044  1.00 56.54  ? 984  ASP A C   1 \nATOM   2131 O  O   . ASP A 1 289 ? 13.374 19.176 38.234  1.00 55.88  ? 984  ASP A O   1 \nATOM   2132 C  CB  . ASP A 1 289 ? 15.763 16.819 38.401  1.00 49.76  ? 984  ASP A CB  1 \nATOM   2133 C  CG  . ASP A 1 289 ? 15.577 16.671 36.904  1.00 48.13  ? 984  ASP A CG  1 \nATOM   2134 O  OD1 . ASP A 1 289 ? 14.924 17.534 36.280  1.00 42.83  ? 984  ASP A OD1 1 \nATOM   2135 O  OD2 . ASP A 1 289 ? 16.083 15.670 36.368  1.00 43.86  ? 984  ASP A OD2 1 \nATOM   2136 N  N   . GLU A 1 290 ? 13.424 17.908 40.110  1.00 62.76  ? 985  GLU A N   1 \nATOM   2137 C  CA  . GLU A 1 290 ? 11.987 17.911 40.387  1.00 68.42  ? 985  GLU A CA  1 \nATOM   2138 C  C   . GLU A 1 290 ? 11.317 19.294 40.405  1.00 68.70  ? 985  GLU A C   1 \nATOM   2139 O  O   . GLU A 1 290 ? 10.205 19.454 39.896  1.00 70.00  ? 985  GLU A O   1 \nATOM   2140 C  CB  . GLU A 1 290 ? 11.742 17.214 41.730  1.00 73.56  ? 985  GLU A CB  1 \nATOM   2141 C  CG  . GLU A 1 290 ? 10.577 16.237 41.743  1.00 82.87  ? 985  GLU A CG  1 \nATOM   2142 C  CD  . GLU A 1 290 ? 10.983 14.829 41.335  1.00 84.63  ? 985  GLU A CD  1 \nATOM   2143 O  OE1 . GLU A 1 290 ? 11.802 14.679 40.402  1.00 82.64  ? 985  GLU A OE1 1 \nATOM   2144 O  OE2 . GLU A 1 290 ? 10.478 13.866 41.950  1.00 89.38  ? 985  GLU A OE2 1 \nATOM   2145 N  N   . ARG A 1 291 ? 11.997 20.284 40.980  1.00 68.82  ? 986  ARG A N   1 \nATOM   2146 C  CA  . ARG A 1 291 ? 11.360 21.555 41.350  1.00 72.35  ? 986  ARG A CA  1 \nATOM   2147 C  C   . ARG A 1 291 ? 11.629 22.717 40.383  1.00 69.65  ? 986  ARG A C   1 \nATOM   2148 O  O   . ARG A 1 291 ? 11.726 23.873 40.806  1.00 69.98  ? 986  ARG A O   1 \nATOM   2149 C  CB  . ARG A 1 291 ? 11.786 21.953 42.770  1.00 77.44  ? 986  ARG A CB  1 \nATOM   2150 C  CG  . ARG A 1 291 ? 11.307 21.016 43.878  1.00 85.98  ? 986  ARG A CG  1 \nATOM   2151 C  CD  . ARG A 1 291 ? 12.125 21.221 45.165  1.00 92.31  ? 986  ARG A CD  1 \nATOM   2152 N  NE  . ARG A 1 291 ? 13.437 20.551 45.092  1.00 95.35  ? 986  ARG A NE  1 \nATOM   2153 C  CZ  . ARG A 1 291 ? 14.425 20.687 45.990  1.00 96.69  ? 986  ARG A CZ  1 \nATOM   2154 N  NH1 . ARG A 1 291 ? 14.274 21.485 47.056  1.00 106.51 ? 986  ARG A NH1 1 \nATOM   2155 N  NH2 . ARG A 1 291 ? 15.576 20.023 45.815  1.00 93.79  ? 986  ARG A NH2 1 \nATOM   2156 N  N   . MET A 1 292 ? 11.727 22.419 39.090  1.00 65.87  ? 987  MET A N   1 \nATOM   2157 C  CA  . MET A 1 292 ? 12.118 23.441 38.112  1.00 64.03  ? 987  MET A CA  1 \nATOM   2158 C  C   . MET A 1 292 ? 10.963 24.018 37.288  1.00 64.57  ? 987  MET A C   1 \nATOM   2159 O  O   . MET A 1 292 ? 10.007 23.313 36.956  1.00 66.75  ? 987  MET A O   1 \nATOM   2160 C  CB  . MET A 1 292 ? 13.243 22.925 37.214  1.00 59.65  ? 987  MET A CB  1 \nATOM   2161 C  CG  . MET A 1 292 ? 14.587 22.855 37.926  1.00 59.01  ? 987  MET A CG  1 \nATOM   2162 S  SD  . MET A 1 292 ? 15.844 22.013 36.958  1.00 55.74  ? 987  MET A SD  1 \nATOM   2163 C  CE  . MET A 1 292 ? 17.265 22.180 38.037  1.00 55.28  ? 987  MET A CE  1 \nATOM   2164 N  N   . HIS A 1 293 ? 11.068 25.307 36.965  1.00 63.00  ? 988  HIS A N   1 \nATOM   2165 C  CA  . HIS A 1 293 ? 10.012 26.024 36.245  1.00 63.79  ? 988  HIS A CA  1 \nATOM   2166 C  C   . HIS A 1 293 ? 10.566 27.058 35.258  1.00 58.92  ? 988  HIS A C   1 \nATOM   2167 O  O   . HIS A 1 293 ? 11.368 27.922 35.631  1.00 58.54  ? 988  HIS A O   1 \nATOM   2168 C  CB  . HIS A 1 293 ? 9.041  26.691 37.233  1.00 69.32  ? 988  HIS A CB  1 \nATOM   2169 C  CG  . HIS A 1 293 ? 9.710  27.554 38.261  1.00 75.75  ? 988  HIS A CG  1 \nATOM   2170 N  ND1 . HIS A 1 293 ? 10.254 27.046 39.422  1.00 80.36  ? 988  HIS A ND1 1 \nATOM   2171 C  CD2 . HIS A 1 293 ? 9.913  28.893 38.307  1.00 77.84  ? 988  HIS A CD2 1 \nATOM   2172 C  CE1 . HIS A 1 293 ? 10.766 28.033 40.136  1.00 84.20  ? 988  HIS A CE1 1 \nATOM   2173 N  NE2 . HIS A 1 293 ? 10.573 29.164 39.482  1.00 81.62  ? 988  HIS A NE2 1 \nATOM   2174 N  N   . LEU A 1 294 ? 10.134 26.967 34.003  1.00 55.32  ? 989  LEU A N   1 \nATOM   2175 C  CA  . LEU A 1 294 ? 10.552 27.933 32.979  1.00 50.64  ? 989  LEU A CA  1 \nATOM   2176 C  C   . LEU A 1 294 ? 9.452  28.960 32.679  1.00 51.25  ? 989  LEU A C   1 \nATOM   2177 O  O   . LEU A 1 294 ? 8.265  28.612 32.650  1.00 53.57  ? 989  LEU A O   1 \nATOM   2178 C  CB  . LEU A 1 294 ? 11.008 27.213 31.702  1.00 47.91  ? 989  LEU A CB  1 \nATOM   2179 C  CG  . LEU A 1 294 ? 12.258 26.337 31.834  1.00 42.36  ? 989  LEU A CG  1 \nATOM   2180 C  CD1 . LEU A 1 294 ? 12.313 25.306 30.712  1.00 48.30  ? 989  LEU A CD1 1 \nATOM   2181 C  CD2 . LEU A 1 294 ? 13.535 27.184 31.891  1.00 39.38  ? 989  LEU A CD2 1 \nATOM   2182 N  N   . PRO A 1 295 ? 9.841  30.235 32.468  1.00 49.05  ? 990  PRO A N   1 \nATOM   2183 C  CA  . PRO A 1 295 ? 8.872  31.311 32.226  1.00 49.95  ? 990  PRO A CA  1 \nATOM   2184 C  C   . PRO A 1 295 ? 7.966  31.056 31.017  1.00 49.78  ? 990  PRO A C   1 \nATOM   2185 O  O   . PRO A 1 295 ? 8.440  30.604 29.964  1.00 45.39  ? 990  PRO A O   1 \nATOM   2186 C  CB  . PRO A 1 295 ? 9.765  32.531 31.960  1.00 47.78  ? 990  PRO A CB  1 \nATOM   2187 C  CG  . PRO A 1 295 ? 11.024 32.240 32.675  1.00 48.55  ? 990  PRO A CG  1 \nATOM   2188 C  CD  . PRO A 1 295 ? 11.222 30.752 32.511  1.00 47.28  ? 990  PRO A CD  1 \nATOM   2189 N  N   . SER A 1 296 ? 6.674  31.341 31.194  1.00 51.31  ? 991  SER A N   1 \nATOM   2190 C  CA  . SER A 1 296 ? 5.681  31.308 30.120  1.00 52.12  ? 991  SER A CA  1 \nATOM   2191 C  C   . SER A 1 296 ? 5.778  32.589 29.273  1.00 48.61  ? 991  SER A C   1 \nATOM   2192 O  O   . SER A 1 296 ? 6.555  33.491 29.612  1.00 44.83  ? 991  SER A O   1 \nATOM   2193 C  CB  . SER A 1 296 ? 4.284  31.184 30.726  1.00 58.09  ? 991  SER A CB  1 \nATOM   2194 O  OG  . SER A 1 296 ? 4.003  32.292 31.565  1.00 63.03  ? 991  SER A OG  1 \nATOM   2195 N  N   . PRO A 1 297 ? 5.009  32.676 28.164  1.00 49.21  ? 992  PRO A N   1 \nATOM   2196 C  CA  . PRO A 1 297 ? 4.999  33.947 27.427  1.00 48.88  ? 992  PRO A CA  1 \nATOM   2197 C  C   . PRO A 1 297 ? 4.747  35.183 28.312  1.00 50.58  ? 992  PRO A C   1 \nATOM   2198 O  O   . PRO A 1 297 ? 5.455  36.188 28.175  1.00 48.32  ? 992  PRO A O   1 \nATOM   2199 C  CB  . PRO A 1 297 ? 3.869  33.754 26.416  1.00 51.49  ? 992  PRO A CB  1 \nATOM   2200 C  CG  . PRO A 1 297 ? 3.882  32.290 26.129  1.00 54.36  ? 992  PRO A CG  1 \nATOM   2201 C  CD  . PRO A 1 297 ? 4.359  31.596 27.392  1.00 53.86  ? 992  PRO A CD  1 \nATOM   2202 N  N   . THR A 1 298 ? 3.782  35.095 29.228  1.00 55.57  ? 993  THR A N   1 \nATOM   2203 C  CA  . THR A 1 298 ? 3.430  36.234 30.086  1.00 57.96  ? 993  THR A CA  1 \nATOM   2204 C  C   . THR A 1 298 ? 4.541  36.658 31.065  1.00 56.20  ? 993  THR A C   1 \nATOM   2205 O  O   . THR A 1 298 ? 4.673  37.844 31.377  1.00 57.04  ? 993  THR A O   1 \nATOM   2206 C  CB  . THR A 1 298 ? 2.089  36.015 30.854  1.00 65.63  ? 993  THR A CB  1 \nATOM   2207 O  OG1 . THR A 1 298 ? 2.180  34.854 31.690  1.00 69.79  ? 993  THR A OG1 1 \nATOM   2208 C  CG2 . THR A 1 298 ? 0.921  35.853 29.880  1.00 67.49  ? 993  THR A CG2 1 \nATOM   2209 N  N   . ASP A 1 299 ? 5.335  35.695 31.536  1.00 52.66  ? 994  ASP A N   1 \nATOM   2210 C  CA  . ASP A 1 299 ? 6.407  35.971 32.503  1.00 53.07  ? 994  ASP A CA  1 \nATOM   2211 C  C   . ASP A 1 299 ? 7.799  36.172 31.886  1.00 48.16  ? 994  ASP A C   1 \nATOM   2212 O  O   . ASP A 1 299 ? 8.716  36.654 32.562  1.00 47.39  ? 994  ASP A O   1 \nATOM   2213 C  CB  . ASP A 1 299 ? 6.478  34.864 33.564  1.00 55.01  ? 994  ASP A CB  1 \nATOM   2214 C  CG  . ASP A 1 299 ? 5.448  35.034 34.668  1.00 62.57  ? 994  ASP A CG  1 \nATOM   2215 O  OD1 . ASP A 1 299 ? 4.905  36.149 34.842  1.00 66.88  ? 994  ASP A OD1 1 \nATOM   2216 O  OD2 . ASP A 1 299 ? 5.189  34.040 35.377  1.00 67.64  ? 994  ASP A OD2 1 \nATOM   2217 N  N   . SER A 1 300 ? 7.953  35.798 30.615  1.00 44.69  ? 995  SER A N   1 \nATOM   2218 C  CA  . SER A 1 300 ? 9.246  35.868 29.929  1.00 40.74  ? 995  SER A CA  1 \nATOM   2219 C  C   . SER A 1 300 ? 9.666  37.300 29.563  1.00 41.94  ? 995  SER A C   1 \nATOM   2220 O  O   . SER A 1 300 ? 9.027  37.938 28.729  1.00 40.94  ? 995  SER A O   1 \nATOM   2221 C  CB  . SER A 1 300 ? 9.211  35.004 28.670  1.00 40.72  ? 995  SER A CB  1 \nATOM   2222 O  OG  . SER A 1 300 ? 10.419 35.118 27.924  1.00 38.52  ? 995  SER A OG  1 \nATOM   2223 N  N   . ASN A 1 301 ? 10.739 37.795 30.186  1.00 42.19  ? 996  ASN A N   1 \nATOM   2224 C  CA  . ASN A 1 301 ? 11.340 39.087 29.811  1.00 43.13  ? 996  ASN A CA  1 \nATOM   2225 C  C   . ASN A 1 301 ? 11.647 39.156 28.312  1.00 40.41  ? 996  ASN A C   1 \nATOM   2226 O  O   . ASN A 1 301 ? 11.394 40.176 27.674  1.00 36.29  ? 996  ASN A O   1 \nATOM   2227 C  CB  . ASN A 1 301 ? 12.660 39.305 30.554  1.00 47.33  ? 996  ASN A CB  1 \nATOM   2228 C  CG  . ASN A 1 301 ? 12.484 39.538 32.041  1.00 54.42  ? 996  ASN A CG  1 \nATOM   2229 O  OD1 . ASN A 1 301 ? 11.427 39.970 32.511  1.00 63.63  ? 996  ASN A OD1 1 \nATOM   2230 N  ND2 . ASN A 1 301 ? 13.543 39.274 32.792  1.00 58.50  ? 996  ASN A ND2 1 \nATOM   2231 N  N   . PHE A 1 302 ? 12.221 38.072 27.779  1.00 38.21  ? 997  PHE A N   1 \nATOM   2232 C  CA  . PHE A 1 302 ? 12.628 37.983 26.374  1.00 37.36  ? 997  PHE A CA  1 \nATOM   2233 C  C   . PHE A 1 302 ? 11.422 38.039 25.438  1.00 36.99  ? 997  PHE A C   1 \nATOM   2234 O  O   . PHE A 1 302 ? 11.405 38.829 24.498  1.00 38.07  ? 997  PHE A O   1 \nATOM   2235 C  CB  . PHE A 1 302 ? 13.438 36.699 26.129  1.00 38.60  ? 997  PHE A CB  1 \nATOM   2236 C  CG  . PHE A 1 302 ? 14.221 36.690 24.832  1.00 35.43  ? 997  PHE A CG  1 \nATOM   2237 C  CD1 . PHE A 1 302 ? 13.619 36.307 23.633  1.00 33.94  ? 997  PHE A CD1 1 \nATOM   2238 C  CD2 . PHE A 1 302 ? 15.572 37.031 24.817  1.00 41.49  ? 997  PHE A CD2 1 \nATOM   2239 C  CE1 . PHE A 1 302 ? 14.342 36.283 22.433  1.00 32.07  ? 997  PHE A CE1 1 \nATOM   2240 C  CE2 . PHE A 1 302 ? 16.305 37.004 23.623  1.00 42.20  ? 997  PHE A CE2 1 \nATOM   2241 C  CZ  . PHE A 1 302 ? 15.688 36.628 22.431  1.00 36.55  ? 997  PHE A CZ  1 \nATOM   2242 N  N   . TYR A 1 303 ? 10.420 37.197 25.690  1.00 34.91  ? 998  TYR A N   1 \nATOM   2243 C  CA  . TYR A 1 303 ? 9.186  37.220 24.913  1.00 34.64  ? 998  TYR A CA  1 \nATOM   2244 C  C   . TYR A 1 303 ? 8.570  38.631 24.919  1.00 37.57  ? 998  TYR A C   1 \nATOM   2245 O  O   . TYR A 1 303 ? 8.198  39.159 23.866  1.00 38.27  ? 998  TYR A O   1 \nATOM   2246 C  CB  . TYR A 1 303 ? 8.182  36.210 25.479  1.00 35.19  ? 998  TYR A CB  1 \nATOM   2247 C  CG  . TYR A 1 303 ? 6.912  36.053 24.661  1.00 35.62  ? 998  TYR A CG  1 \nATOM   2248 C  CD1 . TYR A 1 303 ? 6.732  34.961 23.822  1.00 34.42  ? 998  TYR A CD1 1 \nATOM   2249 C  CD2 . TYR A 1 303 ? 5.885  36.999 24.737  1.00 38.35  ? 998  TYR A CD2 1 \nATOM   2250 C  CE1 . TYR A 1 303 ? 5.580  34.820 23.066  1.00 42.43  ? 998  TYR A CE1 1 \nATOM   2251 C  CE2 . TYR A 1 303 ? 4.730  36.867 23.988  1.00 41.54  ? 998  TYR A CE2 1 \nATOM   2252 C  CZ  . TYR A 1 303 ? 4.581  35.774 23.153  1.00 44.15  ? 998  TYR A CZ  1 \nATOM   2253 O  OH  . TYR A 1 303 ? 3.430  35.635 22.412  1.00 49.03  ? 998  TYR A OH  1 \nATOM   2254 N  N   . ARG A 1 304 ? 8.449  39.216 26.108  1.00 34.57  ? 999  ARG A N   1 \nATOM   2255 C  CA  . ARG A 1 304 ? 7.933  40.574 26.266  1.00 40.26  ? 999  ARG A CA  1 \nATOM   2256 C  C   . ARG A 1 304 ? 8.786  41.599 25.508  1.00 40.71  ? 999  ARG A C   1 \nATOM   2257 O  O   . ARG A 1 304 ? 8.250  42.509 24.863  1.00 41.07  ? 999  ARG A O   1 \nATOM   2258 C  CB  . ARG A 1 304 ? 7.899  40.960 27.746  1.00 42.63  ? 999  ARG A CB  1 \nATOM   2259 C  CG  . ARG A 1 304 ? 6.848  40.268 28.601  1.00 53.73  ? 999  ARG A CG  1 \nATOM   2260 C  CD  . ARG A 1 304 ? 7.222  40.428 30.078  1.00 64.02  ? 999  ARG A CD  1 \nATOM   2261 N  NE  . ARG A 1 304 ? 6.125  40.130 30.998  1.00 74.47  ? 999  ARG A NE  1 \nATOM   2262 C  CZ  . ARG A 1 304 ? 5.339  41.043 31.569  1.00 80.09  ? 999  ARG A CZ  1 \nATOM   2263 N  NH1 . ARG A 1 304 ? 4.373  40.661 32.393  1.00 84.29  ? 999  ARG A NH1 1 \nATOM   2264 N  NH2 . ARG A 1 304 ? 5.510  42.338 31.321  1.00 82.21  ? 999  ARG A NH2 1 \nATOM   2265 N  N   . ALA A 1 305 ? 10.111 41.455 25.608  1.00 41.06  ? 1000 ALA A N   1 \nATOM   2266 C  CA  . ALA A 1 305 ? 11.048 42.360 24.944  1.00 45.17  ? 1000 ALA A CA  1 \nATOM   2267 C  C   . ALA A 1 305 ? 10.811 42.385 23.438  1.00 46.82  ? 1000 ALA A C   1 \nATOM   2268 O  O   . ALA A 1 305 ? 10.853 43.449 22.816  1.00 49.27  ? 1000 ALA A O   1 \nATOM   2269 C  CB  . ALA A 1 305 ? 12.472 41.973 25.246  1.00 42.07  ? 1000 ALA A CB  1 \nATOM   2270 N  N   . LEU A 1 306 ? 10.541 41.213 22.868  1.00 44.48  ? 1001 LEU A N   1 \nATOM   2271 C  CA  . LEU A 1 306 ? 10.182 41.115 21.462  1.00 46.96  ? 1001 LEU A CA  1 \nATOM   2272 C  C   . LEU A 1 306 ? 8.762  41.643 21.186  1.00 50.31  ? 1001 LEU A C   1 \nATOM   2273 O  O   . LEU A 1 306 ? 8.587  42.537 20.357  1.00 52.89  ? 1001 LEU A O   1 \nATOM   2274 C  CB  . LEU A 1 306 ? 10.366 39.681 20.949  1.00 44.73  ? 1001 LEU A CB  1 \nATOM   2275 C  CG  . LEU A 1 306 ? 11.755 39.295 20.400  1.00 41.97  ? 1001 LEU A CG  1 \nATOM   2276 C  CD1 . LEU A 1 306 ? 12.848 39.408 21.443  1.00 48.31  ? 1001 LEU A CD1 1 \nATOM   2277 C  CD2 . LEU A 1 306 ? 11.783 37.883 19.818  1.00 40.91  ? 1001 LEU A CD2 1 \nATOM   2278 N  N   . MET A 1 307 ? 7.763  41.114 21.898  1.00 51.06  ? 1002 MET A N   1 \nATOM   2279 C  CA  . MET A 1 307 ? 6.350  41.323 21.525  1.00 54.08  ? 1002 MET A CA  1 \nATOM   2280 C  C   . MET A 1 307 ? 5.647  42.555 22.100  1.00 56.25  ? 1002 MET A C   1 \nATOM   2281 O  O   . MET A 1 307 ? 4.771  43.126 21.446  1.00 59.05  ? 1002 MET A O   1 \nATOM   2282 C  CB  . MET A 1 307 ? 5.520  40.065 21.813  1.00 53.49  ? 1002 MET A CB  1 \nATOM   2283 C  CG  . MET A 1 307 ? 5.994  38.823 21.071  1.00 52.24  ? 1002 MET A CG  1 \nATOM   2284 S  SD  . MET A 1 307 ? 6.377  39.125 19.328  1.00 56.40  ? 1002 MET A SD  1 \nATOM   2285 C  CE  . MET A 1 307 ? 6.344  37.449 18.693  1.00 59.17  ? 1002 MET A CE  1 \nATOM   2286 N  N   . ASP A 1 308 ? 6.013  42.956 23.314  1.00 58.66  ? 1003 ASP A N   1 \nATOM   2287 C  CA  . ASP A 1 308 ? 5.395  44.119 23.953  1.00 62.87  ? 1003 ASP A CA  1 \nATOM   2288 C  C   . ASP A 1 308 ? 6.191  45.388 23.665  1.00 64.52  ? 1003 ASP A C   1 \nATOM   2289 O  O   . ASP A 1 308 ? 5.841  46.167 22.777  1.00 65.43  ? 1003 ASP A O   1 \nATOM   2290 C  CB  . ASP A 1 308 ? 5.266  43.905 25.468  1.00 65.48  ? 1003 ASP A CB  1 \nATOM   2291 C  CG  . ASP A 1 308 ? 4.418  42.685 25.829  1.00 68.31  ? 1003 ASP A CG  1 \nATOM   2292 O  OD1 . ASP A 1 308 ? 4.101  41.864 24.937  1.00 72.17  ? 1003 ASP A OD1 1 \nATOM   2293 O  OD2 . ASP A 1 308 ? 4.070  42.547 27.020  1.00 73.98  ? 1003 ASP A OD2 1 \nATOM   2294 N  N   . VAL A 1 315 ? 0.313  41.371 14.526  1.00 61.98  ? 1010 VAL A N   1 \nATOM   2295 C  CA  . VAL A 1 315 ? -0.987 41.130 15.140  1.00 63.23  ? 1010 VAL A CA  1 \nATOM   2296 C  C   . VAL A 1 315 ? -1.410 39.672 14.932  1.00 56.60  ? 1010 VAL A C   1 \nATOM   2297 O  O   . VAL A 1 315 ? -2.185 39.127 15.727  1.00 58.05  ? 1010 VAL A O   1 \nATOM   2298 C  CB  . VAL A 1 315 ? -2.095 42.089 14.595  1.00 70.74  ? 1010 VAL A CB  1 \nATOM   2299 C  CG1 . VAL A 1 315 ? -3.251 42.178 15.574  1.00 82.38  ? 1010 VAL A CG1 1 \nATOM   2300 C  CG2 . VAL A 1 315 ? -1.538 43.478 14.326  1.00 72.88  ? 1010 VAL A CG2 1 \nATOM   2301 N  N   . VAL A 1 316 ? -0.902 39.049 13.866  1.00 50.88  ? 1011 VAL A N   1 \nATOM   2302 C  CA  . VAL A 1 316 ? -1.262 37.668 13.526  1.00 48.29  ? 1011 VAL A CA  1 \nATOM   2303 C  C   . VAL A 1 316 ? -0.031 36.788 13.320  1.00 42.90  ? 1011 VAL A C   1 \nATOM   2304 O  O   . VAL A 1 316 ? 0.790  37.044 12.432  1.00 42.47  ? 1011 VAL A O   1 \nATOM   2305 C  CB  . VAL A 1 316 ? -2.184 37.597 12.274  1.00 51.45  ? 1011 VAL A CB  1 \nATOM   2306 C  CG1 . VAL A 1 316 ? -2.334 36.157 11.777  1.00 51.25  ? 1011 VAL A CG1 1 \nATOM   2307 C  CG2 . VAL A 1 316 ? -3.555 38.198 12.579  1.00 61.39  ? 1011 VAL A CG2 1 \nATOM   2308 N  N   . ASP A 1 317 ? 0.085  35.754 14.150  1.00 42.19  ? 1012 ASP A N   1 \nATOM   2309 C  CA  . ASP A 1 317 ? 1.151  34.757 14.043  1.00 43.24  ? 1012 ASP A CA  1 \nATOM   2310 C  C   . ASP A 1 317 ? 1.155  34.079 12.665  1.00 41.86  ? 1012 ASP A C   1 \nATOM   2311 O  O   . ASP A 1 317 ? 0.091  33.771 12.119  1.00 43.10  ? 1012 ASP A O   1 \nATOM   2312 C  CB  . ASP A 1 317 ? 0.992  33.714 15.157  1.00 47.95  ? 1012 ASP A CB  1 \nATOM   2313 C  CG  . ASP A 1 317 ? 2.108  32.683 15.165  1.00 54.44  ? 1012 ASP A CG  1 \nATOM   2314 O  OD1 . ASP A 1 317 ? 3.283  33.064 15.357  1.00 63.57  ? 1012 ASP A OD1 1 \nATOM   2315 O  OD2 . ASP A 1 317 ? 1.806  31.485 14.991  1.00 62.48  ? 1012 ASP A OD2 1 \nATOM   2316 N  N   . ALA A 1 318 ? 2.350  33.866 12.106  1.00 39.77  ? 1013 ALA A N   1 \nATOM   2317 C  CA  . ALA A 1 318 ? 2.501  33.229 10.787  1.00 40.41  ? 1013 ALA A CA  1 \nATOM   2318 C  C   . ALA A 1 318 ? 1.707  31.928 10.648  1.00 44.34  ? 1013 ALA A C   1 \nATOM   2319 O  O   . ALA A 1 318 ? 1.132  31.657 9.586   1.00 46.63  ? 1013 ALA A O   1 \nATOM   2320 C  CB  . ALA A 1 318 ? 3.977  32.990 10.471  1.00 43.02  ? 1013 ALA A CB  1 \nATOM   2321 N  N   . ASP A 1 319 ? 1.673  31.132 11.716  1.00 46.44  ? 1014 ASP A N   1 \nATOM   2322 C  CA  . ASP A 1 319 ? 0.911  29.881 11.730  1.00 51.57  ? 1014 ASP A CA  1 \nATOM   2323 C  C   . ASP A 1 319 ? -0.581 30.115 11.510  1.00 51.56  ? 1014 ASP A C   1 \nATOM   2324 O  O   . ASP A 1 319 ? -1.207 29.407 10.716  1.00 56.58  ? 1014 ASP A O   1 \nATOM   2325 C  CB  . ASP A 1 319 ? 1.129  29.113 13.034  1.00 56.31  ? 1014 ASP A CB  1 \nATOM   2326 C  CG  . ASP A 1 319 ? 2.556  28.643 13.204  1.00 62.95  ? 1014 ASP A CG  1 \nATOM   2327 O  OD1 . ASP A 1 319 ? 3.120  28.880 14.293  1.00 66.69  ? 1014 ASP A OD1 1 \nATOM   2328 O  OD2 . ASP A 1 319 ? 3.112  28.042 12.257  1.00 64.43  ? 1014 ASP A OD2 1 \nATOM   2329 N  N   . GLU A 1 320 ? -1.134 31.107 12.212  1.00 49.45  ? 1015 GLU A N   1 \nATOM   2330 C  CA  . GLU A 1 320 ? -2.541 31.502 12.069  1.00 53.06  ? 1015 GLU A CA  1 \nATOM   2331 C  C   . GLU A 1 320 ? -2.833 32.063 10.669  1.00 54.61  ? 1015 GLU A C   1 \nATOM   2332 O  O   . GLU A 1 320 ? -3.883 31.774 10.090  1.00 58.62  ? 1015 GLU A O   1 \nATOM   2333 C  CB  . GLU A 1 320 ? -2.926 32.515 13.159  1.00 53.98  ? 1015 GLU A CB  1 \nATOM   2334 C  CG  . GLU A 1 320 ? -4.359 33.086 13.071  1.00 65.64  ? 1015 GLU A CG  1 \nATOM   2335 C  CD  . GLU A 1 320 ? -5.444 32.133 13.567  1.00 79.87  ? 1015 GLU A CD  1 \nATOM   2336 O  OE1 . GLU A 1 320 ? -5.132 31.177 14.311  1.00 83.92  ? 1015 GLU A OE1 1 \nATOM   2337 O  OE2 . GLU A 1 320 ? -6.627 32.353 13.220  1.00 87.74  ? 1015 GLU A OE2 1 \nATOM   2338 N  N   . TYR A 1 321 ? -1.896 32.851 10.136  1.00 50.48  ? 1016 TYR A N   1 \nATOM   2339 C  CA  . TYR A 1 321 ? -2.013 33.420 8.793   1.00 55.56  ? 1016 TYR A CA  1 \nATOM   2340 C  C   . TYR A 1 321 ? -2.049 32.331 7.721   1.00 63.46  ? 1016 TYR A C   1 \nATOM   2341 O  O   . TYR A 1 321 ? -2.864 32.397 6.800   1.00 70.74  ? 1016 TYR A O   1 \nATOM   2342 C  CB  . TYR A 1 321 ? -0.880 34.420 8.510   1.00 52.47  ? 1016 TYR A CB  1 \nATOM   2343 C  CG  . TYR A 1 321 ? -0.896 34.994 7.102   1.00 58.64  ? 1016 TYR A CG  1 \nATOM   2344 C  CD1 . TYR A 1 321 ? 0.012  34.552 6.136   1.00 64.23  ? 1016 TYR A CD1 1 \nATOM   2345 C  CD2 . TYR A 1 321 ? -1.817 35.977 6.734   1.00 63.68  ? 1016 TYR A CD2 1 \nATOM   2346 C  CE1 . TYR A 1 321 ? 0.004  35.075 4.839   1.00 71.05  ? 1016 TYR A CE1 1 \nATOM   2347 C  CE2 . TYR A 1 321 ? -1.833 36.507 5.441   1.00 71.22  ? 1016 TYR A CE2 1 \nATOM   2348 C  CZ  . TYR A 1 321 ? -0.919 36.052 4.500   1.00 75.93  ? 1016 TYR A CZ  1 \nATOM   2349 O  OH  . TYR A 1 321 ? -0.931 36.570 3.219   1.00 86.72  ? 1016 TYR A OH  1 \nATOM   2350 N  N   . LEU A 1 322 ? -1.162 31.343 7.841   1.00 64.50  ? 1017 LEU A N   1 \nATOM   2351 C  CA  . LEU A 1 322 ? -1.180 30.168 6.966   1.00 74.87  ? 1017 LEU A CA  1 \nATOM   2352 C  C   . LEU A 1 322 ? -2.045 29.064 7.570   1.00 78.46  ? 1017 LEU A C   1 \nATOM   2353 O  O   . LEU A 1 322 ? -2.802 28.390 6.854   1.00 90.12  ? 1017 LEU A O   1 \nATOM   2354 C  CB  . LEU A 1 322 ? 0.239  29.643 6.714   1.00 77.33  ? 1017 LEU A CB  1 \nATOM   2355 C  CG  . LEU A 1 322 ? 1.129  30.365 5.693   1.00 81.98  ? 1017 LEU A CG  1 \nATOM   2356 C  CD1 . LEU A 1 322 ? 1.939  31.487 6.329   1.00 77.63  ? 1017 LEU A CD1 1 \nATOM   2357 C  CD2 . LEU A 1 322 ? 2.059  29.367 5.017   1.00 91.98  ? 1017 LEU A CD2 1 \nHETATM 2358 S  S   . SO4 B 2 .   ? 29.376 32.715 22.033  1.00 48.24  ? 1    SO4 A S   1 \nHETATM 2359 O  O1  . SO4 B 2 .   ? 30.289 33.474 22.874  1.00 54.70  ? 1    SO4 A O1  1 \nHETATM 2360 O  O2  . SO4 B 2 .   ? 29.734 32.898 20.636  1.00 49.46  ? 1    SO4 A O2  1 \nHETATM 2361 O  O3  . SO4 B 2 .   ? 29.479 31.298 22.404  1.00 42.85  ? 1    SO4 A O3  1 \nHETATM 2362 O  O4  . SO4 B 2 .   ? 28.013 33.167 22.241  1.00 47.28  ? 1    SO4 A O4  1 \nHETATM 2363 S  S   . SO4 C 2 .   ? 13.555 35.423 30.795  1.00 49.78  ? 2    SO4 A S   1 \nHETATM 2364 O  O1  . SO4 C 2 .   ? 13.708 36.129 29.523  1.00 43.55  ? 2    SO4 A O1  1 \nHETATM 2365 O  O2  . SO4 C 2 .   ? 13.241 34.023 30.522  1.00 50.72  ? 2    SO4 A O2  1 \nHETATM 2366 O  O3  . SO4 C 2 .   ? 14.819 35.516 31.531  1.00 55.94  ? 2    SO4 A O3  1 \nHETATM 2367 O  O4  . SO4 C 2 .   ? 12.465 35.968 31.608  1.00 49.26  ? 2    SO4 A O4  1 \nHETATM 2368 S  S   . SO4 D 2 .   ? 22.433 19.151 -0.308  1.00 53.36  ? 3    SO4 A S   1 \nHETATM 2369 O  O1  . SO4 D 2 .   ? 23.737 19.489 -0.885  1.00 56.74  ? 3    SO4 A O1  1 \nHETATM 2370 O  O2  . SO4 D 2 .   ? 22.409 17.728 0.027   1.00 53.82  ? 3    SO4 A O2  1 \nHETATM 2371 O  O3  . SO4 D 2 .   ? 22.202 19.915 0.910   1.00 43.27  ? 3    SO4 A O3  1 \nHETATM 2372 O  O4  . SO4 D 2 .   ? 21.412 19.462 -1.317  1.00 50.61  ? 3    SO4 A O4  1 \nHETATM 2373 N  N1  . 03P E 3 .   ? 14.734 33.559 13.161  1.00 17.98  ? 1023 03P A N1  1 \nHETATM 2374 N  N3  . 03P E 3 .   ? 20.225 35.775 15.395  1.00 30.57  ? 1023 03P A N3  1 \nHETATM 2375 C  C4  . 03P E 3 .   ? 15.890 35.034 17.235  1.00 21.42  ? 1023 03P A C4  1 \nHETATM 2376 C  C5  . 03P E 3 .   ? 14.518 34.854 17.058  1.00 16.61  ? 1023 03P A C5  1 \nHETATM 2377 C  C6  . 03P E 3 .   ? 18.073 34.788 16.054  1.00 24.01  ? 1023 03P A C6  1 \nHETATM 2378 C  C7  . 03P E 3 .   ? 18.783 36.032 15.531  1.00 30.17  ? 1023 03P A C7  1 \nHETATM 2379 C  C8  . 03P E 3 .   ? 20.715 35.001 14.407  1.00 30.73  ? 1023 03P A C8  1 \nHETATM 2380 C  C10 . 03P E 3 .   ? 17.224 33.527 11.835  1.00 22.66  ? 1023 03P A C10 1 \nHETATM 2381 C  C13 . 03P E 3 .   ? 17.550 32.921 9.098   1.00 24.10  ? 1023 03P A C13 1 \nHETATM 2382 C  C15 . 03P E 3 .   ? 18.135 32.543 11.422  1.00 22.75  ? 1023 03P A C15 1 \nHETATM 2383 C  C17 . 03P E 3 .   ? 18.404 30.743 6.486   1.00 25.76  ? 1023 03P A C17 1 \nHETATM 2384 C  C20 . 03P E 3 .   ? 16.048 29.394 7.164   1.00 21.17  ? 1023 03P A C20 1 \nHETATM 2385 C  C21 . 03P E 3 .   ? 16.266 30.695 7.625   1.00 22.70  ? 1023 03P A C21 1 \nHETATM 2386 C  C22 . 03P E 3 .   ? 14.802 28.623 7.500   1.00 30.16  ? 1023 03P A C22 1 \nHETATM 2387 C  C24 . 03P E 3 .   ? 24.121 33.228 14.043  1.00 50.94  ? 1023 03P A C24 1 \nHETATM 2388 F  F2  . 03P E 3 .   ? 13.867 29.356 8.056   1.00 28.73  ? 1023 03P A F2  1 \nHETATM 2389 F  F   . 03P E 3 .   ? 14.283 28.118 6.395   1.00 28.42  ? 1023 03P A F   1 \nHETATM 2390 F  F1  . 03P E 3 .   ? 15.102 27.632 8.330   1.00 29.29  ? 1023 03P A F1  1 \nHETATM 2391 C  C19 . 03P E 3 .   ? 17.012 28.782 6.348   1.00 24.27  ? 1023 03P A C19 1 \nHETATM 2392 C  C18 . 03P E 3 .   ? 18.188 29.452 6.017   1.00 23.60  ? 1023 03P A C18 1 \nHETATM 2393 C  C16 . 03P E 3 .   ? 17.456 31.366 7.300   1.00 22.06  ? 1023 03P A C16 1 \nHETATM 2394 O  O1  . 03P E 3 .   ? 17.688 32.640 7.745   1.00 22.89  ? 1023 03P A O1  1 \nHETATM 2395 C  C12 . 03P E 3 .   ? 16.654 33.895 9.521   1.00 20.40  ? 1023 03P A C12 1 \nHETATM 2396 CL CL  . 03P E 3 .   ? 15.676 34.766 8.319   1.00 23.88  ? 1023 03P A CL  1 \nHETATM 2397 C  C11 . 03P E 3 .   ? 16.476 34.203 10.862  1.00 19.04  ? 1023 03P A C11 1 \nHETATM 2398 C  C14 . 03P E 3 .   ? 18.317 32.250 10.052  1.00 21.43  ? 1023 03P A C14 1 \nHETATM 2399 N  N4  . 03P E 3 .   ? 17.081 33.810 13.180  1.00 21.11  ? 1023 03P A N4  1 \nHETATM 2400 C  C1  . 03P E 3 .   ? 15.875 33.886 13.812  1.00 17.88  ? 1023 03P A C1  1 \nHETATM 2401 C  C   . 03P E 3 .   ? 13.519 33.645 13.738  1.00 20.61  ? 1023 03P A C   1 \nHETATM 2402 C  C3  . 03P E 3 .   ? 15.733 34.309 15.146  1.00 15.94  ? 1023 03P A C3  1 \nHETATM 2403 C  C2  . 03P E 3 .   ? 14.475 34.412 15.705  1.00 17.43  ? 1023 03P A C2  1 \nHETATM 2404 N  N   . 03P E 3 .   ? 13.371 34.064 15.005  1.00 19.18  ? 1023 03P A N   1 \nHETATM 2405 N  N2  . 03P E 3 .   ? 16.593 34.740 16.100  1.00 20.76  ? 1023 03P A N2  1 \nHETATM 2406 O  O   . 03P E 3 .   ? 20.014 34.442 13.583  1.00 29.30  ? 1023 03P A O   1 \nHETATM 2407 C  C9  . 03P E 3 .   ? 22.220 34.825 14.324  1.00 33.39  ? 1023 03P A C9  1 \nHETATM 2408 C  C23 . 03P E 3 .   ? 22.607 33.386 13.956  1.00 44.14  ? 1023 03P A C23 1 \nHETATM 2409 O  O2  . 03P E 3 .   ? 22.020 32.500 14.919  1.00 48.73  ? 1023 03P A O2  1 \nHETATM 2410 C  C25 . 03P E 3 .   ? 22.147 32.956 12.561  1.00 45.99  ? 1023 03P A C25 1 \nHETATM 2411 O  O   . HOH F 4 .   ? 25.885 20.565 10.513  1.00 20.54  ? 4    HOH A O   1 \nHETATM 2412 O  O   . HOH F 4 .   ? 27.606 18.749 7.801   1.00 21.40  ? 5    HOH A O   1 \nHETATM 2413 O  O   . HOH F 4 .   ? 30.634 19.025 9.260   1.00 23.84  ? 6    HOH A O   1 \nHETATM 2414 O  O   . HOH F 4 .   ? 21.597 10.148 9.745   1.00 22.17  ? 7    HOH A O   1 \nHETATM 2415 O  O   . HOH F 4 .   ? 24.003 26.034 6.610   1.00 23.82  ? 8    HOH A O   1 \nHETATM 2416 O  O   . HOH F 4 .   ? 34.527 27.125 15.461  1.00 25.59  ? 9    HOH A O   1 \nHETATM 2417 O  O   . HOH F 4 .   ? 8.640  23.505 8.432   1.00 27.56  ? 10   HOH A O   1 \nHETATM 2418 O  O   . HOH F 4 .   ? 7.086  24.220 11.090  1.00 35.25  ? 11   HOH A O   1 \nHETATM 2419 O  O   . HOH F 4 .   ? 9.470  28.761 10.954  1.00 28.62  ? 12   HOH A O   1 \nHETATM 2420 O  O   . HOH F 4 .   ? 11.462 30.813 11.688  1.00 24.02  ? 13   HOH A O   1 \nHETATM 2421 O  O   . HOH F 4 .   ? 14.722 31.220 11.420  1.00 20.72  ? 14   HOH A O   1 \nHETATM 2422 O  O   . HOH F 4 .   ? 8.422  30.631 8.964   1.00 27.25  ? 15   HOH A O   1 \nHETATM 2423 O  O   . HOH F 4 .   ? 17.038 32.798 23.687  1.00 18.92  ? 16   HOH A O   1 \nHETATM 2424 O  O   . HOH F 4 .   ? 28.491 27.032 22.728  1.00 18.70  ? 17   HOH A O   1 \nHETATM 2425 O  O   . HOH F 4 .   ? 29.728 28.955 21.240  1.00 23.54  ? 18   HOH A O   1 \nHETATM 2426 O  O   . HOH F 4 .   ? 20.661 15.785 7.693   1.00 38.84  ? 19   HOH A O   1 \nHETATM 2427 O  O   . HOH F 4 .   ? 18.327 10.912 2.099   1.00 40.43  ? 20   HOH A O   1 \nHETATM 2428 O  O   . HOH F 4 .   ? 35.425 19.931 14.921  1.00 16.39  ? 21   HOH A O   1 \nHETATM 2429 O  O   . HOH F 4 .   ? 30.580 12.650 5.846   1.00 21.42  ? 22   HOH A O   1 \nHETATM 2430 O  O   . HOH F 4 .   ? 26.115 27.233 18.983  1.00 18.72  ? 23   HOH A O   1 \nHETATM 2431 O  O   . HOH F 4 .   ? 39.220 13.369 25.074  1.00 33.56  ? 24   HOH A O   1 \nHETATM 2432 O  O   . HOH F 4 .   ? 35.404 13.287 29.927  1.00 25.82  ? 25   HOH A O   1 \nHETATM 2433 O  O   . HOH F 4 .   ? 12.846 9.613  35.538  1.00 27.92  ? 26   HOH A O   1 \nHETATM 2434 O  O   . HOH F 4 .   ? 6.886  43.826 16.066  1.00 21.50  ? 27   HOH A O   1 \nHETATM 2435 O  O   . HOH F 4 .   ? 24.447 39.941 18.285  1.00 28.61  ? 28   HOH A O   1 \nHETATM 2436 O  O   . HOH F 4 .   ? 7.400  17.476 3.453   1.00 25.67  ? 29   HOH A O   1 \nHETATM 2437 O  O   . HOH F 4 .   ? 36.246 11.586 9.620   1.00 22.95  ? 30   HOH A O   1 \nHETATM 2438 O  O   . HOH F 4 .   ? 38.916 12.807 6.175   1.00 30.19  ? 31   HOH A O   1 \nHETATM 2439 O  O   . HOH F 4 .   ? 37.009 7.135  15.874  1.00 26.95  ? 32   HOH A O   1 \nHETATM 2440 O  O   . HOH F 4 .   ? 24.771 34.000 25.193  1.00 38.91  ? 33   HOH A O   1 \nHETATM 2441 O  O   . HOH F 4 .   ? 19.571 22.772 35.550  1.00 32.86  ? 34   HOH A O   1 \nHETATM 2442 O  O   . HOH F 4 .   ? 18.275 14.177 37.324  1.00 25.91  ? 35   HOH A O   1 \nHETATM 2443 O  O   . HOH F 4 .   ? 28.016 24.340 12.885  1.00 26.34  ? 36   HOH A O   1 \nHETATM 2444 O  O   . HOH F 4 .   ? 27.971 29.375 18.940  1.00 21.01  ? 37   HOH A O   1 \nHETATM 2445 O  O   . HOH F 4 .   ? 24.968 32.265 10.677  1.00 41.39  ? 38   HOH A O   1 \nHETATM 2446 O  O   . HOH F 4 .   ? 41.701 22.616 12.573  1.00 29.94  ? 39   HOH A O   1 \nHETATM 2447 O  O   . HOH F 4 .   ? 44.894 21.233 13.299  1.00 25.84  ? 40   HOH A O   1 \nHETATM 2448 O  O   . HOH F 4 .   ? 26.589 19.365 32.649  1.00 21.11  ? 41   HOH A O   1 \nHETATM 2449 O  O   . HOH F 4 .   ? 32.393 28.005 27.896  1.00 27.31  ? 42   HOH A O   1 \nHETATM 2450 O  O   . HOH F 4 .   ? 34.701 8.341  7.501   1.00 39.42  ? 43   HOH A O   1 \nHETATM 2451 O  O   . HOH F 4 .   ? 34.667 10.850 30.900  1.00 30.45  ? 44   HOH A O   1 \nHETATM 2452 O  O   . HOH F 4 .   ? 18.140 9.178  9.632   1.00 21.76  ? 45   HOH A O   1 \nHETATM 2453 O  O   . HOH F 4 .   ? 8.745  15.085 13.031  1.00 30.92  ? 46   HOH A O   1 \nHETATM 2454 O  O   . HOH F 4 .   ? 9.791  15.673 22.345  1.00 36.36  ? 47   HOH A O   1 \nHETATM 2455 O  O   . HOH F 4 .   ? 17.261 33.321 26.472  1.00 24.78  ? 48   HOH A O   1 \nHETATM 2456 O  O   . HOH F 4 .   ? 32.527 29.087 20.541  1.00 27.63  ? 49   HOH A O   1 \nHETATM 2457 O  O   . HOH F 4 .   ? 35.849 21.764 25.717  1.00 29.94  ? 50   HOH A O   1 \nHETATM 2458 O  O   . HOH F 4 .   ? 38.588 8.773  20.009  1.00 39.40  ? 51   HOH A O   1 \nHETATM 2459 O  O   . HOH F 4 .   ? 27.060 21.465 34.368  1.00 30.45  ? 52   HOH A O   1 \nHETATM 2460 O  O   . HOH F 4 .   ? 36.071 5.506  13.650  1.00 25.95  ? 53   HOH A O   1 \nHETATM 2461 O  O   . HOH F 4 .   ? 38.570 12.119 8.500   1.00 28.33  ? 54   HOH A O   1 \nHETATM 2462 O  O   . HOH F 4 .   ? 26.424 28.069 31.014  1.00 39.19  ? 55   HOH A O   1 \nHETATM 2463 O  O   . HOH F 4 .   ? 24.876 13.146 2.164   1.00 27.97  ? 56   HOH A O   1 \nHETATM 2464 O  O   . HOH F 4 .   ? 36.074 22.973 5.332   1.00 35.94  ? 57   HOH A O   1 \nHETATM 2465 O  O   . HOH F 4 .   ? 28.474 20.141 9.981   1.00 32.92  ? 58   HOH A O   1 \nHETATM 2466 O  O   . HOH F 4 .   ? 34.135 24.970 27.505  1.00 40.47  ? 59   HOH A O   1 \nHETATM 2467 O  O   . HOH F 4 .   ? 12.202 4.692  21.606  1.00 24.96  ? 60   HOH A O   1 \nHETATM 2468 O  O   . HOH F 4 .   ? 11.634 13.161 11.214  1.00 21.34  ? 61   HOH A O   1 \nHETATM 2469 O  O   . HOH F 4 .   ? 9.126  15.064 19.959  1.00 33.10  ? 62   HOH A O   1 \nHETATM 2470 O  O   . HOH F 4 .   ? 40.026 9.778  16.756  1.00 33.97  ? 63   HOH A O   1 \nHETATM 2471 O  O   . HOH F 4 .   ? 4.885  20.742 10.069  1.00 31.27  ? 64   HOH A O   1 \nHETATM 2472 O  O   . HOH F 4 .   ? 24.645 10.799 4.596   1.00 28.93  ? 65   HOH A O   1 \nHETATM 2473 O  O   . HOH F 4 .   ? 15.057 8.876  7.266   1.00 35.94  ? 66   HOH A O   1 \nHETATM 2474 O  O   . HOH F 4 .   ? 9.177  13.565 4.846   1.00 30.32  ? 67   HOH A O   1 \nHETATM 2475 O  O   . HOH F 4 .   ? 42.977 22.122 9.673   1.00 42.47  ? 68   HOH A O   1 \nHETATM 2476 O  O   . HOH F 4 .   ? 23.108 9.229  6.562   1.00 25.61  ? 69   HOH A O   1 \nHETATM 2477 O  O   . HOH F 4 .   ? 9.907  10.710 13.868  1.00 40.06  ? 70   HOH A O   1 \nHETATM 2478 O  O   . HOH F 4 .   ? 7.159  16.545 8.530   1.00 25.07  ? 71   HOH A O   1 \nHETATM 2479 O  O   . HOH F 4 .   ? 5.476  35.891 -4.769  1.00 26.06  ? 72   HOH A O   1 \nHETATM 2480 O  O   . HOH F 4 .   ? 20.324 9.442  3.431   1.00 31.97  ? 73   HOH A O   1 \nHETATM 2481 O  O   . HOH F 4 .   ? 11.065 30.676 29.211  1.00 28.35  ? 74   HOH A O   1 \nHETATM 2482 O  O   . HOH F 4 .   ? 24.334 5.002  24.888  1.00 31.36  ? 75   HOH A O   1 \nHETATM 2483 O  O   . HOH F 4 .   ? 26.332 29.958 12.270  1.00 35.80  ? 76   HOH A O   1 \nHETATM 2484 O  O   . HOH F 4 .   ? 24.691 28.863 8.385   1.00 31.87  ? 77   HOH A O   1 \nHETATM 2485 O  O   . HOH F 4 .   ? 19.815 31.378 14.425  1.00 40.71  ? 78   HOH A O   1 \nHETATM 2486 O  O   . HOH F 4 .   ? 28.729 8.776  5.454   1.00 25.64  ? 79   HOH A O   1 \nHETATM 2487 O  O   . HOH F 4 .   ? 26.409 6.029  6.710   1.00 33.89  ? 80   HOH A O   1 \nHETATM 2488 O  O   . HOH F 4 .   ? 26.318 15.183 0.566   1.00 36.32  ? 81   HOH A O   1 \nHETATM 2489 O  O   . HOH F 4 .   ? 26.635 9.435  3.713   1.00 35.95  ? 82   HOH A O   1 \nHETATM 2490 O  O   . HOH F 4 .   ? 41.546 18.070 24.410  1.00 33.43  ? 83   HOH A O   1 \nHETATM 2491 O  O   . HOH F 4 .   ? 15.405 34.257 27.882  1.00 30.18  ? 84   HOH A O   1 \nHETATM 2492 O  O   . HOH F 4 .   ? 12.068 33.312 28.295  1.00 24.17  ? 85   HOH A O   1 \nHETATM 2493 O  O   . HOH F 4 .   ? 4.653  35.177 13.305  1.00 26.09  ? 86   HOH A O   1 \nHETATM 2494 O  O   . HOH F 4 .   ? 5.394  31.773 2.335   1.00 31.84  ? 87   HOH A O   1 \nHETATM 2495 O  O   . HOH F 4 .   ? 6.199  29.481 9.911   1.00 43.10  ? 88   HOH A O   1 \nHETATM 2496 O  O   . HOH F 4 .   ? 44.408 7.918  18.480  1.00 41.88  ? 89   HOH A O   1 \nHETATM 2497 O  O   . HOH F 4 .   ? 14.231 2.766  32.628  1.00 33.66  ? 90   HOH A O   1 \nHETATM 2498 O  O   . HOH F 4 .   ? -2.261 34.884 15.873  1.00 27.20  ? 91   HOH A O   1 \nHETATM 2499 O  O   . HOH F 4 .   ? 30.390 17.734 0.351   1.00 34.92  ? 92   HOH A O   1 \nHETATM 2500 O  O   . HOH F 4 .   ? 17.638 47.529 17.740  1.00 26.63  ? 93   HOH A O   1 \nHETATM 2501 O  O   . HOH F 4 .   ? 29.149 22.497 10.996  1.00 37.97  ? 94   HOH A O   1 \nHETATM 2502 O  O   . HOH F 4 .   ? 29.142 27.348 30.560  1.00 35.27  ? 95   HOH A O   1 \nHETATM 2503 O  O   . HOH F 4 .   ? 10.907 6.756  15.697  1.00 40.18  ? 96   HOH A O   1 \nHETATM 2504 O  O   . HOH F 4 .   ? 9.414  10.287 19.777  1.00 36.82  ? 97   HOH A O   1 \nHETATM 2505 O  O   . HOH F 4 .   ? 9.668  9.810  24.632  1.00 32.50  ? 98   HOH A O   1 \nHETATM 2506 O  O   . HOH F 4 .   ? 12.111 8.449  11.759  1.00 44.36  ? 99   HOH A O   1 \nHETATM 2507 O  O   . HOH F 4 .   ? 13.687 33.216 26.181  1.00 30.04  ? 100  HOH A O   1 \nHETATM 2508 O  O   . HOH F 4 .   ? 26.847 19.074 -2.493  1.00 49.46  ? 101  HOH A O   1 \nHETATM 2509 O  O   . HOH F 4 .   ? 13.031 6.882  14.075  1.00 36.73  ? 102  HOH A O   1 \nHETATM 2510 O  O   . HOH F 4 .   ? 34.785 27.610 21.539  1.00 35.69  ? 103  HOH A O   1 \nHETATM 2511 O  O   . HOH F 4 .   ? 37.514 29.846 18.287  1.00 52.05  ? 104  HOH A O   1 \nHETATM 2512 O  O   . HOH F 4 .   ? 11.619 41.824 -4.165  1.00 36.66  ? 105  HOH A O   1 \nHETATM 2513 O  O   . HOH F 4 .   ? 11.804 2.204  27.266  1.00 36.60  ? 106  HOH A O   1 \nHETATM 2514 O  O   . HOH F 4 .   ? 24.236 4.456  21.996  1.00 50.00  ? 107  HOH A O   1 \nHETATM 2515 O  O   . HOH F 4 .   ? 31.716 15.405 -0.964  1.00 51.35  ? 108  HOH A O   1 \nHETATM 2516 O  O   . HOH F 4 .   ? 20.923 33.969 34.353  1.00 45.63  ? 109  HOH A O   1 \nHETATM 2517 O  O   . HOH F 4 .   ? 20.948 3.189  34.239  1.00 39.22  ? 110  HOH A O   1 \nHETATM 2518 O  O   . HOH F 4 .   ? 20.942 12.104 0.008   1.00 50.83  ? 111  HOH A O   1 \nHETATM 2519 O  O   . HOH F 4 .   ? 6.235  21.429 0.443   1.00 43.29  ? 112  HOH A O   1 \nHETATM 2520 O  O   . HOH F 4 .   ? 27.093 32.089 19.162  1.00 36.70  ? 113  HOH A O   1 \nHETATM 2521 O  O   . HOH F 4 .   ? 32.715 20.709 30.317  1.00 60.89  ? 114  HOH A O   1 \nHETATM 2522 O  O   . HOH F 4 .   ? 43.421 29.335 14.616  1.00 37.20  ? 115  HOH A O   1 \nHETATM 2523 O  O   . HOH F 4 .   ? 2.041  18.390 8.088   1.00 51.57  ? 116  HOH A O   1 \nHETATM 2524 O  O   . HOH F 4 .   ? 35.389 26.496 2.516   1.00 44.47  ? 117  HOH A O   1 \nHETATM 2525 O  O   . HOH F 4 .   ? 34.132 24.077 4.295   1.00 38.52  ? 118  HOH A O   1 \nHETATM 2526 O  O   . HOH F 4 .   ? 38.126 20.347 25.485  1.00 38.43  ? 119  HOH A O   1 \nHETATM 2527 O  O   . HOH F 4 .   ? 18.318 3.643  18.427  1.00 33.61  ? 120  HOH A O   1 \nHETATM 2528 O  O   . HOH F 4 .   ? 14.994 0.203  17.664  1.00 41.45  ? 121  HOH A O   1 \nHETATM 2529 O  O   . HOH F 4 .   ? 7.181  12.337 27.216  1.00 49.74  ? 122  HOH A O   1 \nHETATM 2530 O  O   . HOH F 4 .   ? 8.047  7.698  22.289  1.00 48.29  ? 123  HOH A O   1 \nHETATM 2531 O  O   . HOH F 4 .   ? 11.088 14.173 35.219  1.00 60.82  ? 124  HOH A O   1 \nHETATM 2532 O  O   . HOH F 4 .   ? 21.911 14.353 0.689   1.00 35.58  ? 125  HOH A O   1 \nHETATM 2533 O  O   . HOH F 4 .   ? 38.915 18.257 24.365  1.00 47.53  ? 126  HOH A O   1 \nHETATM 2534 O  O   . HOH F 4 .   ? 34.611 9.874  19.346  1.00 22.80  ? 1024 HOH A O   1 \nHETATM 2535 O  O   . HOH F 4 .   ? 34.394 16.159 20.330  1.00 20.64  ? 1025 HOH A O   1 \nHETATM 2536 O  O   . HOH F 4 .   ? 33.827 19.204 16.899  1.00 19.13  ? 1026 HOH A O   1 \n# \nloop_\n_atom_site_anisotrop.id \n_atom_site_anisotrop.type_symbol \n_atom_site_anisotrop.pdbx_label_atom_id \n_atom_site_anisotrop.pdbx_label_alt_id \n_atom_site_anisotrop.pdbx_label_comp_id \n_atom_site_anisotrop.pdbx_label_asym_id \n_atom_site_anisotrop.pdbx_label_seq_id \n_atom_site_anisotrop.pdbx_PDB_ins_code \n_atom_site_anisotrop.U[1][1] \n_atom_site_anisotrop.U[2][2] \n_atom_site_anisotrop.U[3][3] \n_atom_site_anisotrop.U[1][2] \n_atom_site_anisotrop.U[1][3] \n_atom_site_anisotrop.U[2][3] \n_atom_site_anisotrop.pdbx_auth_seq_id \n_atom_site_anisotrop.pdbx_auth_comp_id \n_atom_site_anisotrop.pdbx_auth_asym_id \n_atom_site_anisotrop.pdbx_auth_atom_id \n1    N N   . GLN A 6   ? 0.7962 0.7186 0.8098 0.0383  -0.2169 -0.0174 701  GLN A N   \n2    C CA  . GLN A 6   ? 0.7691 0.7196 0.8112 0.0335  -0.1991 -0.0231 701  GLN A CA  \n3    C C   . GLN A 6   ? 0.7293 0.6764 0.7390 0.0219  -0.1788 -0.0204 701  GLN A C   \n4    O O   . GLN A 6   ? 0.7395 0.7030 0.7641 0.0178  -0.1666 -0.0249 701  GLN A O   \n5    C CB  . GLN A 6   ? 0.7982 0.7547 0.8586 0.0337  -0.2165 -0.0305 701  GLN A CB  \n6    C CG  . GLN A 6   ? 0.8347 0.8126 0.9507 0.0441  -0.2285 -0.0372 701  GLN A CG  \n7    C CD  . GLN A 6   ? 0.8527 0.8436 0.9951 0.0412  -0.2400 -0.0458 701  GLN A CD  \n8    O OE1 . GLN A 6   ? 0.8636 0.8556 1.0264 0.0479  -0.2650 -0.0512 701  GLN A OE1 \n9    N NE2 . GLN A 6   ? 0.8454 0.8454 0.9883 0.0317  -0.2235 -0.0478 701  GLN A NE2 \n10   N N   . ALA A 7   ? 0.6896 0.6156 0.6565 0.0166  -0.1756 -0.0136 702  ALA A N   \n11   C CA  . ALA A 7   ? 0.6307 0.5558 0.5685 0.0057  -0.1570 -0.0126 702  ALA A CA  \n12   C C   . ALA A 7   ? 0.5758 0.5257 0.5409 0.0064  -0.1338 -0.0143 702  ALA A C   \n13   O O   . ALA A 7   ? 0.5326 0.4904 0.5180 0.0123  -0.1275 -0.0119 702  ALA A O   \n14   C CB  . ALA A 7   ? 0.6575 0.5568 0.5478 -0.0018 -0.1572 -0.0051 702  ALA A CB  \n15   N N   . LEU A 8   ? 0.5358 0.4959 0.4993 0.0011  -0.1219 -0.0189 703  LEU A N   \n16   C CA  . LEU A 8   ? 0.4973 0.4764 0.4803 0.0018  -0.1018 -0.0202 703  LEU A CA  \n17   C C   . LEU A 8   ? 0.4656 0.4417 0.4291 -0.0017 -0.0898 -0.0155 703  LEU A C   \n18   O O   . LEU A 8   ? 0.4705 0.4562 0.4514 0.0025  -0.0801 -0.0135 703  LEU A O   \n19   C CB  . LEU A 8   ? 0.5037 0.4901 0.4862 -0.0019 -0.0951 -0.0270 703  LEU A CB  \n20   C CG  . LEU A 8   ? 0.5354 0.5387 0.5437 0.0009  -0.0797 -0.0292 703  LEU A CG  \n21   C CD1 . LEU A 8   ? 0.5716 0.5850 0.6167 0.0068  -0.0799 -0.0272 703  LEU A CD1 \n22   C CD2 . LEU A 8   ? 0.5028 0.5077 0.5100 -0.0014 -0.0784 -0.0369 703  LEU A CD2 \n23   N N   . LEU A 9   ? 0.4760 0.4381 0.4022 -0.0103 -0.0904 -0.0140 704  LEU A N   \n24   C CA  . LEU A 9   ? 0.4397 0.3965 0.3464 -0.0158 -0.0814 -0.0093 704  LEU A CA  \n25   C C   . LEU A 9   ? 0.4579 0.3894 0.3425 -0.0169 -0.0963 -0.0021 704  LEU A C   \n26   O O   . LEU A 9   ? 0.4712 0.3823 0.3223 -0.0238 -0.1061 -0.0001 704  LEU A O   \n27   C CB  . LEU A 9   ? 0.4859 0.4460 0.3678 -0.0266 -0.0689 -0.0128 704  LEU A CB  \n28   C CG  . LEU A 9   ? 0.4921 0.4477 0.3531 -0.0359 -0.0596 -0.0087 704  LEU A CG  \n29   C CD1 . LEU A 9   ? 0.5444 0.5169 0.4307 -0.0311 -0.0487 -0.0089 704  LEU A CD1 \n30   C CD2 . LEU A 9   ? 0.5898 0.5472 0.4228 -0.0487 -0.0491 -0.0132 704  LEU A CD2 \n31   N N   . ARG A 10  ? 0.4411 0.3712 0.3419 -0.0096 -0.0987 0.0014  705  ARG A N   \n32   C CA  . ARG A 10  ? 0.5041 0.4077 0.3863 -0.0081 -0.1146 0.0076  705  ARG A CA  \n33   C C   . ARG A 10  ? 0.5005 0.3846 0.3432 -0.0209 -0.1098 0.0135  705  ARG A C   \n34   O O   . ARG A 10  ? 0.4896 0.3852 0.3350 -0.0258 -0.0939 0.0131  705  ARG A O   \n35   C CB  . ARG A 10  ? 0.4782 0.3871 0.3924 0.0052  -0.1185 0.0074  705  ARG A CB  \n36   C CG  . ARG A 10  ? 0.5703 0.4937 0.5209 0.0162  -0.1274 0.0021  705  ARG A CG  \n37   C CD  . ARG A 10  ? 0.6077 0.5509 0.5976 0.0265  -0.1185 -0.0011 705  ARG A CD  \n38   N NE  . ARG A 10  ? 0.7433 0.7035 0.7714 0.0348  -0.1250 -0.0068 705  ARG A NE  \n39   C CZ  . ARG A 10  ? 0.7577 0.7142 0.8037 0.0449  -0.1420 -0.0091 705  ARG A CZ  \n40   N NH1 . ARG A 10  ? 0.7517 0.6841 0.7778 0.0492  -0.1554 -0.0055 705  ARG A NH1 \n41   N NH2 . ARG A 10  ? 0.7837 0.7604 0.8691 0.0506  -0.1461 -0.0155 705  ARG A NH2 \n42   N N   . ILE A 11  ? 0.5338 0.3875 0.3387 -0.0273 -0.1240 0.0189  706  ILE A N   \n43   C CA  . ILE A 11  ? 0.5966 0.4264 0.3608 -0.0415 -0.1208 0.0259  706  ILE A CA  \n44   C C   . ILE A 11  ? 0.6219 0.4294 0.3863 -0.0340 -0.1339 0.0314  706  ILE A C   \n45   O O   . ILE A 11  ? 0.6727 0.4595 0.4339 -0.0245 -0.1553 0.0337  706  ILE A O   \n46   C CB  . ILE A 11  ? 0.6408 0.4431 0.3561 -0.0540 -0.1292 0.0299  706  ILE A CB  \n47   C CG1 . ILE A 11  ? 0.6966 0.5201 0.4136 -0.0580 -0.1190 0.0220  706  ILE A CG1 \n48   C CG2 . ILE A 11  ? 0.7308 0.5081 0.4027 -0.0720 -0.1227 0.0377  706  ILE A CG2 \n49   C CD1 . ILE A 11  ? 0.6102 0.4640 0.3395 -0.0658 -0.0932 0.0158  706  ILE A CD1 \n50   N N   . LEU A 12  ? 0.5906 0.4025 0.3605 -0.0370 -0.1221 0.0324  707  LEU A N   \n51   C CA  . LEU A 12  ? 0.6256 0.4185 0.3996 -0.0282 -0.1327 0.0356  707  LEU A CA  \n52   C C   . LEU A 12  ? 0.6844 0.4374 0.4115 -0.0421 -0.1394 0.0447  707  LEU A C   \n53   O O   . LEU A 12  ? 0.7138 0.4662 0.4170 -0.0606 -0.1255 0.0471  707  LEU A O   \n54   C CB  . LEU A 12  ? 0.5599 0.3783 0.3676 -0.0215 -0.1181 0.0305  707  LEU A CB  \n55   C CG  . LEU A 12  ? 0.5532 0.4088 0.4047 -0.0096 -0.1089 0.0226  707  LEU A CG  \n56   C CD1 . LEU A 12  ? 0.5652 0.4360 0.4409 -0.0025 -0.0975 0.0191  707  LEU A CD1 \n57   C CD2 . LEU A 12  ? 0.5881 0.4458 0.4613 0.0043  -0.1236 0.0198  707  LEU A CD2 \n58   N N   . LYS A 13  ? 0.7530 0.4721 0.4675 -0.0335 -0.1611 0.0493  708  LYS A N   \n59   C CA  . LYS A 13  ? 0.8207 0.4965 0.4926 -0.0448 -0.1691 0.0585  708  LYS A CA  \n60   C C   . LYS A 13  ? 0.8144 0.4974 0.5037 -0.0435 -0.1586 0.0561  708  LYS A C   \n61   O O   . LYS A 13  ? 0.7547 0.4664 0.4863 -0.0281 -0.1530 0.0481  708  LYS A O   \n62   C CB  . LYS A 13  ? 0.8509 0.4856 0.5053 -0.0328 -0.1987 0.0634  708  LYS A CB  \n63   C CG  . LYS A 13  ? 0.9712 0.5888 0.5975 -0.0357 -0.2135 0.0672  708  LYS A CG  \n64   C CD  . LYS A 13  ? 1.0875 0.6671 0.7033 -0.0198 -0.2463 0.0705  708  LYS A CD  \n65   C CE  . LYS A 13  ? 1.0883 0.6996 0.7631 0.0058  -0.2555 0.0594  708  LYS A CE  \n66   N NZ  . LYS A 13  ? 1.1897 0.7677 0.8589 0.0227  -0.2894 0.0607  708  LYS A NZ  \n67   N N   . GLU A 14  ? 0.8624 0.5182 0.5173 -0.0609 -0.1557 0.0628  709  GLU A N   \n68   C CA  . GLU A 14  ? 0.8590 0.5167 0.5253 -0.0616 -0.1479 0.0604  709  GLU A CA  \n69   C C   . GLU A 14  ? 0.8634 0.5079 0.5500 -0.0388 -0.1635 0.0568  709  GLU A C   \n70   O O   . GLU A 14  ? 0.8153 0.4755 0.5263 -0.0317 -0.1552 0.0505  709  GLU A O   \n71   C CB  . GLU A 14  ? 0.9252 0.5504 0.5482 -0.0862 -0.1451 0.0688  709  GLU A CB  \n72   C CG  . GLU A 14  ? 0.9445 0.5964 0.5610 -0.1088 -0.1223 0.0680  709  GLU A CG  \n73   C CD  . GLU A 14  ? 1.0557 0.6833 0.6389 -0.1344 -0.1158 0.0742  709  GLU A CD  \n74   O OE1 . GLU A 14  ? 1.0370 0.6897 0.6403 -0.1418 -0.1009 0.0686  709  GLU A OE1 \n75   O OE2 . GLU A 14  ? 1.0934 0.6756 0.6298 -0.1477 -0.1263 0.0848  709  GLU A OE2 \n76   N N   . THR A 15  ? 0.9038 0.5202 0.5805 -0.0267 -0.1863 0.0598  710  THR A N   \n77   C CA  . THR A 15  ? 0.9127 0.5179 0.6117 -0.0027 -0.2026 0.0545  710  THR A CA  \n78   C C   . THR A 15  ? 0.8714 0.5230 0.6256 0.0177  -0.1957 0.0430  710  THR A C   \n79   O O   . THR A 15  ? 0.8888 0.5408 0.6691 0.0377  -0.2036 0.0359  710  THR A O   \n80   C CB  . THR A 15  ? 0.9748 0.5330 0.6460 0.0050  -0.2325 0.0608  710  THR A CB  \n81   O OG1 . THR A 15  ? 0.9385 0.5057 0.6071 0.0048  -0.2390 0.0625  710  THR A OG1 \n82   C CG2 . THR A 15  ? 1.0110 0.5141 0.6247 -0.0140 -0.2411 0.0729  710  THR A CG2 \n83   N N   . GLU A 16  ? 0.8036 0.4931 0.5750 0.0121  -0.1802 0.0406  711  GLU A N   \n84   C CA  . GLU A 16  ? 0.7588 0.4896 0.5790 0.0281  -0.1735 0.0310  711  GLU A CA  \n85   C C   . GLU A 16  ? 0.7135 0.4777 0.5598 0.0284  -0.1503 0.0248  711  GLU A C   \n86   O O   . GLU A 16  ? 0.6816 0.4789 0.5655 0.0393  -0.1416 0.0176  711  GLU A O   \n87   C CB  . GLU A 16  ? 0.7539 0.5026 0.5780 0.0238  -0.1734 0.0315  711  GLU A CB  \n88   C CG  . GLU A 16  ? 0.8379 0.5618 0.6503 0.0311  -0.1993 0.0341  711  GLU A CG  \n89   C CD  . GLU A 16  ? 0.8734 0.6145 0.6881 0.0262  -0.1993 0.0334  711  GLU A CD  \n90   O OE1 . GLU A 16  ? 0.8672 0.6084 0.6543 0.0082  -0.1875 0.0377  711  GLU A OE1 \n91   O OE2 . GLU A 16  ? 0.8310 0.5864 0.6764 0.0401  -0.2108 0.0276  711  GLU A OE2 \n92   N N   . PHE A 17  ? 0.6623 0.4169 0.4873 0.0154  -0.1408 0.0277  712  PHE A N   \n93   C CA  . PHE A 17  ? 0.6418 0.4226 0.4862 0.0159  -0.1221 0.0220  712  PHE A CA  \n94   C C   . PHE A 17  ? 0.6308 0.3876 0.4537 0.0091  -0.1221 0.0233  712  PHE A C   \n95   O O   . PHE A 17  ? 0.6708 0.3932 0.4598 -0.0027 -0.1323 0.0304  712  PHE A O   \n96   C CB  . PHE A 17  ? 0.6264 0.4401 0.4789 0.0052  -0.1047 0.0213  712  PHE A CB  \n97   C CG  . PHE A 17  ? 0.6379 0.4427 0.4594 -0.0163 -0.1009 0.0272  712  PHE A CG  \n98   C CD1 . PHE A 17  ? 0.6444 0.4553 0.4590 -0.0286 -0.0890 0.0264  712  PHE A CD1 \n99   C CD2 . PHE A 17  ? 0.6260 0.4183 0.4260 -0.0247 -0.1084 0.0324  712  PHE A CD2 \n100  C CE1 . PHE A 17  ? 0.6484 0.4560 0.4390 -0.0494 -0.0832 0.0302  712  PHE A CE1 \n101  C CE2 . PHE A 17  ? 0.6551 0.4407 0.4255 -0.0458 -0.1017 0.0370  712  PHE A CE2 \n102  C CZ  . PHE A 17  ? 0.6652 0.4604 0.4330 -0.0585 -0.0882 0.0356  712  PHE A CZ  \n103  N N   . LYS A 18  ? 0.5835 0.3556 0.4243 0.0164  -0.1116 0.0166  713  LYS A N   \n104  C CA  . LYS A 18  ? 0.6588 0.4085 0.4830 0.0128  -0.1130 0.0156  713  LYS A CA  \n105  C C   . LYS A 18  ? 0.6309 0.4073 0.4657 0.0081  -0.0960 0.0110  713  LYS A C   \n106  O O   . LYS A 18  ? 0.6142 0.4192 0.4746 0.0189  -0.0857 0.0055  713  LYS A O   \n107  C CB  . LYS A 18  ? 0.6677 0.3994 0.5008 0.0329  -0.1233 0.0095  713  LYS A CB  \n108  C CG  . LYS A 18  ? 0.8265 0.5256 0.6482 0.0403  -0.1447 0.0131  713  LYS A CG  \n109  C CD  . LYS A 18  ? 0.9379 0.6187 0.7690 0.0608  -0.1544 0.0048  713  LYS A CD  \n110  C CE  . LYS A 18  ? 1.0169 0.6633 0.8381 0.0709  -0.1789 0.0074  713  LYS A CE  \n111  N NZ  . LYS A 18  ? 1.0535 0.6808 0.8841 0.0916  -0.1887 -0.0022 713  LYS A NZ  \n112  N N   . LYS A 19  ? 0.6389 0.4054 0.4535 -0.0090 -0.0938 0.0133  714  LYS A N   \n113  C CA  . LYS A 19  ? 0.6211 0.4069 0.4436 -0.0121 -0.0824 0.0079  714  LYS A CA  \n114  C C   . LYS A 19  ? 0.6510 0.4172 0.4702 -0.0008 -0.0871 0.0019  714  LYS A C   \n115  O O   . LYS A 19  ? 0.6699 0.4005 0.4686 -0.0035 -0.0991 0.0036  714  LYS A O   \n116  C CB  . LYS A 19  ? 0.6388 0.4260 0.4461 -0.0352 -0.0784 0.0109  714  LYS A CB  \n117  C CG  . LYS A 19  ? 0.6396 0.4407 0.4442 -0.0478 -0.0737 0.0160  714  LYS A CG  \n118  C CD  . LYS A 19  ? 0.7718 0.5719 0.5608 -0.0719 -0.0691 0.0180  714  LYS A CD  \n119  C CE  . LYS A 19  ? 0.7619 0.5732 0.5438 -0.0855 -0.0630 0.0221  714  LYS A CE  \n120  N NZ  . LYS A 19  ? 0.7209 0.4953 0.4722 -0.0919 -0.0740 0.0312  714  LYS A NZ  \n121  N N   . ILE A 20  ? 0.5945 0.3814 0.4316 0.0120  -0.0779 -0.0052 715  ILE A N   \n122  C CA  . ILE A 20  ? 0.6097 0.3814 0.4444 0.0252  -0.0799 -0.0127 715  ILE A CA  \n123  C C   . ILE A 20  ? 0.6192 0.3925 0.4439 0.0168  -0.0758 -0.0166 715  ILE A C   \n124  O O   . ILE A 20  ? 0.6486 0.3948 0.4562 0.0154  -0.0835 -0.0200 715  ILE A O   \n125  C CB  . ILE A 20  ? 0.6042 0.3949 0.4626 0.0455  -0.0715 -0.0188 715  ILE A CB  \n126  C CG1 . ILE A 20  ? 0.5856 0.3752 0.4580 0.0547  -0.0783 -0.0167 715  ILE A CG1 \n127  C CG2 . ILE A 20  ? 0.6474 0.4253 0.5013 0.0588  -0.0699 -0.0284 715  ILE A CG2 \n128  C CD1 . ILE A 20  ? 0.7237 0.4774 0.5847 0.0622  -0.0950 -0.0178 715  ILE A CD1 \n129  N N   . LYS A 21  ? 0.5807 0.3842 0.4160 0.0117  -0.0656 -0.0168 716  LYS A N   \n130  C CA  . LYS A 21  ? 0.5599 0.3681 0.3883 0.0042  -0.0639 -0.0210 716  LYS A CA  \n131  C C   . LYS A 21  ? 0.5618 0.3998 0.4009 -0.0081 -0.0578 -0.0186 716  LYS A C   \n132  O O   . LYS A 21  ? 0.4853 0.3423 0.3377 -0.0072 -0.0522 -0.0148 716  LYS A O   \n133  C CB  . LYS A 21  ? 0.5813 0.3926 0.4106 0.0199  -0.0584 -0.0286 716  LYS A CB  \n134  C CG  . LYS A 21  ? 0.6484 0.4299 0.4646 0.0314  -0.0639 -0.0348 716  LYS A CG  \n135  C CD  . LYS A 21  ? 0.6663 0.4194 0.4610 0.0195  -0.0758 -0.0370 716  LYS A CD  \n136  C CE  . LYS A 21  ? 0.7984 0.5152 0.5805 0.0283  -0.0854 -0.0402 716  LYS A CE  \n137  N NZ  . LYS A 21  ? 0.7901 0.5008 0.5708 0.0486  -0.0808 -0.0503 716  LYS A NZ  \n138  N N   . VAL A 22  ? 0.5460 0.3885 0.3809 -0.0188 -0.0597 -0.0222 717  VAL A N   \n139  C CA  . VAL A 22  ? 0.4995 0.3730 0.3485 -0.0283 -0.0545 -0.0226 717  VAL A CA  \n140  C C   . VAL A 22  ? 0.4955 0.3889 0.3552 -0.0144 -0.0489 -0.0263 717  VAL A C   \n141  O O   . VAL A 22  ? 0.5051 0.3892 0.3560 -0.0056 -0.0510 -0.0309 717  VAL A O   \n142  C CB  . VAL A 22  ? 0.5584 0.4326 0.4036 -0.0464 -0.0596 -0.0261 717  VAL A CB  \n143  C CG1 . VAL A 22  ? 0.5301 0.4406 0.3952 -0.0547 -0.0540 -0.0285 717  VAL A CG1 \n144  C CG2 . VAL A 22  ? 0.5697 0.4187 0.3993 -0.0627 -0.0648 -0.0214 717  VAL A CG2 \n145  N N   . LEU A 23  ? 0.4230 0.3409 0.2986 -0.0126 -0.0421 -0.0241 718  LEU A N   \n146  C CA  . LEU A 23  ? 0.4270 0.3610 0.3102 -0.0018 -0.0381 -0.0267 718  LEU A CA  \n147  C C   . LEU A 23  ? 0.4138 0.3663 0.3044 -0.0098 -0.0420 -0.0318 718  LEU A C   \n148  O O   . LEU A 23  ? 0.4533 0.4030 0.3375 -0.0051 -0.0472 -0.0366 718  LEU A O   \n149  C CB  . LEU A 23  ? 0.3911 0.3395 0.2878 0.0051  -0.0301 -0.0226 718  LEU A CB  \n150  C CG  . LEU A 23  ? 0.4339 0.3702 0.3295 0.0163  -0.0258 -0.0196 718  LEU A CG  \n151  C CD1 . LEU A 23  ? 0.4177 0.3697 0.3291 0.0192  -0.0196 -0.0160 718  LEU A CD1 \n152  C CD2 . LEU A 23  ? 0.5161 0.4423 0.4017 0.0285  -0.0228 -0.0227 718  LEU A CD2 \n153  N N   . GLY A 24  ? 0.4237 0.3948 0.3276 -0.0219 -0.0401 -0.0318 719  GLY A N   \n154  C CA  . GLY A 24  ? 0.4146 0.4095 0.3327 -0.0289 -0.0430 -0.0385 719  GLY A CA  \n155  C C   . GLY A 24  ? 0.4454 0.4530 0.3718 -0.0483 -0.0406 -0.0398 719  GLY A C   \n156  O O   . GLY A 24  ? 0.4883 0.4873 0.4081 -0.0555 -0.0358 -0.0340 719  GLY A O   \n157  N N   . SER A 25  ? 0.4845 0.5129 0.4255 -0.0570 -0.0440 -0.0478 720  SER A N   \n158  C CA  . SER A 25  ? 0.5543 0.5995 0.5059 -0.0777 -0.0391 -0.0505 720  SER A CA  \n159  C C   . SER A 25  ? 0.6011 0.6846 0.5820 -0.0802 -0.0395 -0.0616 720  SER A C   \n160  O O   . SER A 25  ? 0.5644 0.6561 0.5541 -0.0666 -0.0478 -0.0671 720  SER A O   \n161  C CB  . SER A 25  ? 0.5840 0.6062 0.5197 -0.0942 -0.0439 -0.0491 720  SER A CB  \n162  O OG  . SER A 25  ? 0.5975 0.6268 0.5346 -0.1161 -0.0360 -0.0478 720  SER A OG  \n163  N N   . GLY A 26  ? 0.6794 0.7856 0.6744 -0.0974 -0.0306 -0.0653 721  GLY A N   \n164  C CA  . GLY A 26  ? 0.7337 0.8814 0.7620 -0.1022 -0.0294 -0.0781 721  GLY A CA  \n165  C C   . GLY A 26  ? 0.7712 0.9428 0.8110 -0.1145 -0.0139 -0.0805 721  GLY A C   \n166  O O   . GLY A 26  ? 0.7986 0.9540 0.8187 -0.1302 -0.0053 -0.0730 721  GLY A O   \n167  N N   . ALA A 27  ? 0.7836 0.9914 0.8529 -0.1066 -0.0110 -0.0912 722  ALA A N   \n168  C CA  . ALA A 27  ? 0.7874 1.0196 0.8678 -0.1144 0.0046  -0.0956 722  ALA A CA  \n169  C C   . ALA A 27  ? 0.7890 1.0037 0.8519 -0.0999 0.0081  -0.0872 722  ALA A C   \n170  O O   . ALA A 27  ? 0.7634 0.9690 0.8260 -0.0789 -0.0006 -0.0852 722  ALA A O   \n171  C CB  . ALA A 27  ? 0.7909 1.0703 0.9131 -0.1104 0.0057  -0.1129 722  ALA A CB  \n172  N N   . PHE A 28  ? 0.8031 1.0126 0.8505 -0.1127 0.0208  -0.0827 723  PHE A N   \n173  C CA  . PHE A 28  ? 0.8040 0.9923 0.8305 -0.1036 0.0234  -0.0737 723  PHE A CA  \n174  C C   . PHE A 28  ? 0.7909 0.9371 0.7829 -0.1092 0.0190  -0.0590 723  PHE A C   \n175  O O   . PHE A 28  ? 0.7987 0.9252 0.7723 -0.1041 0.0197  -0.0511 723  PHE A O   \n176  C CB  . PHE A 28  ? 0.8063 0.9956 0.8432 -0.0781 0.0159  -0.0750 723  PHE A CB  \n177  C CG  . PHE A 28  ? 0.8343 1.0540 0.8941 -0.0705 0.0223  -0.0864 723  PHE A CG  \n178  C CD1 . PHE A 28  ? 0.8538 1.0645 0.9063 -0.0589 0.0240  -0.0835 723  PHE A CD1 \n179  C CD2 . PHE A 28  ? 0.8645 1.1220 0.9550 -0.0742 0.0257  -0.1014 723  PHE A CD2 \n180  C CE1 . PHE A 28  ? 0.8596 1.0949 0.9316 -0.0508 0.0289  -0.0950 723  PHE A CE1 \n181  C CE2 . PHE A 28  ? 0.8862 1.1715 0.9991 -0.0651 0.0311  -0.1138 723  PHE A CE2 \n182  C CZ  . PHE A 28  ? 0.8741 1.1465 0.9761 -0.0531 0.0326  -0.1104 723  PHE A CZ  \n183  N N   . GLY A 29  ? 0.7520 0.8841 0.7365 -0.1190 0.0131  -0.0563 724  GLY A N   \n184  C CA  . GLY A 29  ? 0.6910 0.7820 0.6437 -0.1247 0.0079  -0.0440 724  GLY A CA  \n185  C C   . GLY A 29  ? 0.6351 0.7029 0.5815 -0.1107 -0.0050 -0.0402 724  GLY A C   \n186  O O   . GLY A 29  ? 0.6226 0.7020 0.5840 -0.1057 -0.0109 -0.0469 724  GLY A O   \n187  N N   . THR A 30  ? 0.5781 0.6130 0.5017 -0.1043 -0.0096 -0.0303 725  THR A N   \n188  C CA  . THR A 30  ? 0.5395 0.5491 0.4535 -0.0917 -0.0198 -0.0269 725  THR A CA  \n189  C C   . THR A 30  ? 0.4955 0.4904 0.4028 -0.0748 -0.0210 -0.0206 725  THR A C   \n190  O O   . THR A 30  ? 0.4666 0.4529 0.3638 -0.0784 -0.0187 -0.0152 725  THR A O   \n191  C CB  . THR A 30  ? 0.5871 0.5658 0.4791 -0.1056 -0.0257 -0.0225 725  THR A CB  \n192  O OG1 . THR A 30  ? 0.6155 0.6095 0.5160 -0.1244 -0.0237 -0.0286 725  THR A OG1 \n193  C CG2 . THR A 30  ? 0.5866 0.5400 0.4691 -0.0913 -0.0357 -0.0215 725  THR A CG2 \n194  N N   . VAL A 31  ? 0.4503 0.4431 0.3632 -0.0571 -0.0246 -0.0218 726  VAL A N   \n195  C CA  . VAL A 31  ? 0.4271 0.4089 0.3378 -0.0418 -0.0248 -0.0170 726  VAL A CA  \n196  C C   . VAL A 31  ? 0.4309 0.3846 0.3277 -0.0349 -0.0313 -0.0146 726  VAL A C   \n197  O O   . VAL A 31  ? 0.4394 0.3882 0.3329 -0.0328 -0.0348 -0.0185 726  VAL A O   \n198  C CB  . VAL A 31  ? 0.3892 0.3902 0.3165 -0.0274 -0.0211 -0.0201 726  VAL A CB  \n199  C CG1 . VAL A 31  ? 0.3710 0.3622 0.2986 -0.0140 -0.0198 -0.0155 726  VAL A CG1 \n200  C CG2 . VAL A 31  ? 0.4621 0.4896 0.4038 -0.0326 -0.0158 -0.0242 726  VAL A CG2 \n201  N N   . TYR A 32  ? 0.4240 0.3593 0.3128 -0.0306 -0.0337 -0.0093 727  TYR A N   \n202  C CA  . TYR A 32  ? 0.4522 0.3610 0.3302 -0.0221 -0.0399 -0.0083 727  TYR A CA  \n203  C C   . TYR A 32  ? 0.4228 0.3352 0.3122 -0.0046 -0.0368 -0.0082 727  TYR A C   \n204  O O   . TYR A 32  ? 0.4225 0.3504 0.3242 -0.0020 -0.0325 -0.0064 727  TYR A O   \n205  C CB  . TYR A 32  ? 0.4816 0.3637 0.3420 -0.0307 -0.0476 -0.0030 727  TYR A CB  \n206  C CG  . TYR A 32  ? 0.5151 0.3915 0.3622 -0.0518 -0.0489 -0.0018 727  TYR A CG  \n207  C CD1 . TYR A 32  ? 0.5399 0.3955 0.3734 -0.0586 -0.0551 -0.0035 727  TYR A CD1 \n208  C CD2 . TYR A 32  ? 0.5633 0.4552 0.4110 -0.0659 -0.0431 0.0003  727  TYR A CD2 \n209  C CE1 . TYR A 32  ? 0.6010 0.4521 0.4239 -0.0807 -0.0554 -0.0024 727  TYR A CE1 \n210  C CE2 . TYR A 32  ? 0.5775 0.4666 0.4139 -0.0876 -0.0416 0.0009  727  TYR A CE2 \n211  C CZ  . TYR A 32  ? 0.6308 0.4999 0.4559 -0.0956 -0.0477 -0.0002 727  TYR A CZ  \n212  O OH  . TYR A 32  ? 0.6404 0.5070 0.4559 -0.1193 -0.0454 0.0004  727  TYR A OH  \n213  N N   . LYS A 33  ? 0.4194 0.3177 0.3050 0.0066  -0.0383 -0.0109 728  LYS A N   \n214  C CA  . LYS A 33  ? 0.4218 0.3206 0.3184 0.0218  -0.0350 -0.0115 728  LYS A CA  \n215  C C   . LYS A 33  ? 0.4567 0.3341 0.3482 0.0236  -0.0444 -0.0092 728  LYS A C   \n216  O O   . LYS A 33  ? 0.4980 0.3518 0.3721 0.0176  -0.0529 -0.0087 728  LYS A O   \n217  C CB  . LYS A 33  ? 0.4813 0.3779 0.3765 0.0335  -0.0295 -0.0168 728  LYS A CB  \n218  C CG  . LYS A 33  ? 0.6161 0.4872 0.4962 0.0379  -0.0355 -0.0211 728  LYS A CG  \n219  C CD  . LYS A 33  ? 0.7144 0.5856 0.5911 0.0498  -0.0274 -0.0272 728  LYS A CD  \n220  C CE  . LYS A 33  ? 0.7744 0.6221 0.6420 0.0599  -0.0309 -0.0334 728  LYS A CE  \n221  N NZ  . LYS A 33  ? 0.7951 0.6451 0.6809 0.0709  -0.0294 -0.0342 728  LYS A NZ  \n222  N N   . GLY A 34  ? 0.4550 0.3391 0.3614 0.0312  -0.0444 -0.0079 729  GLY A N   \n223  C CA  . GLY A 34  ? 0.5062 0.3698 0.4089 0.0346  -0.0562 -0.0060 729  GLY A CA  \n224  C C   . GLY A 34  ? 0.4908 0.3649 0.4167 0.0479  -0.0562 -0.0079 729  GLY A C   \n225  O O   . GLY A 34  ? 0.4371 0.3327 0.3825 0.0554  -0.0448 -0.0115 729  GLY A O   \n226  N N   . LEU A 35  ? 0.4950 0.3523 0.4181 0.0501  -0.0699 -0.0056 730  LEU A N   \n227  C CA  . LEU A 35  ? 0.5024 0.3695 0.4500 0.0622  -0.0739 -0.0080 730  LEU A CA  \n228  C C   . LEU A 35  ? 0.5180 0.3788 0.4583 0.0547  -0.0856 -0.0017 730  LEU A C   \n229  O O   . LEU A 35  ? 0.5779 0.4132 0.4899 0.0446  -0.0960 0.0041  730  LEU A O   \n230  C CB  . LEU A 35  ? 0.5228 0.3736 0.4776 0.0782  -0.0825 -0.0143 730  LEU A CB  \n231  C CG  . LEU A 35  ? 0.5354 0.3931 0.4995 0.0889  -0.0701 -0.0230 730  LEU A CG  \n232  C CD1 . LEU A 35  ? 0.6569 0.4897 0.6188 0.1028  -0.0815 -0.0295 730  LEU A CD1 \n233  C CD2 . LEU A 35  ? 0.4959 0.3874 0.4919 0.0961  -0.0546 -0.0278 730  LEU A CD2 \n234  N N   . TRP A 36  ? 0.5200 0.4031 0.4837 0.0582  -0.0834 -0.0029 731  TRP A N   \n235  C CA  . TRP A 36  ? 0.5483 0.4252 0.5071 0.0543  -0.0964 0.0013  731  TRP A CA  \n236  C C   . TRP A 36  ? 0.5739 0.4465 0.5542 0.0705  -0.1104 -0.0034 731  TRP A C   \n237  O O   . TRP A 36  ? 0.5145 0.4094 0.5286 0.0823  -0.1030 -0.0109 731  TRP A O   \n238  C CB  . TRP A 36  ? 0.5178 0.4202 0.4871 0.0469  -0.0868 0.0021  731  TRP A CB  \n239  C CG  . TRP A 36  ? 0.5315 0.4332 0.5031 0.0458  -0.0993 0.0037  731  TRP A CG  \n240  C CD1 . TRP A 36  ? 0.6731 0.5479 0.6213 0.0432  -0.1178 0.0082  731  TRP A CD1 \n241  C CD2 . TRP A 36  ? 0.5287 0.4546 0.5244 0.0467  -0.0952 0.0009  731  TRP A CD2 \n242  N NE1 . TRP A 36  ? 0.6356 0.5177 0.5919 0.0433  -0.1261 0.0078  731  TRP A NE1 \n243  C CE2 . TRP A 36  ? 0.5925 0.5065 0.5794 0.0453  -0.1125 0.0029  731  TRP A CE2 \n244  C CE3 . TRP A 36  ? 0.4621 0.4155 0.4835 0.0480  -0.0795 -0.0029 731  TRP A CE3 \n245  C CZ2 . TRP A 36  ? 0.6207 0.5515 0.6263 0.0453  -0.1146 0.0001  731  TRP A CZ2 \n246  C CZ3 . TRP A 36  ? 0.5713 0.5401 0.6113 0.0473  -0.0811 -0.0049 731  TRP A CZ3 \n247  C CH2 . TRP A 36  ? 0.5706 0.5292 0.6039 0.0460  -0.0986 -0.0040 731  TRP A CH2 \n248  N N   . ILE A 37  ? 0.6051 0.4473 0.5646 0.0710  -0.1306 0.0005  732  ILE A N   \n249  C CA  . ILE A 37  ? 0.6490 0.4823 0.6266 0.0878  -0.1487 -0.0043 732  ILE A CA  \n250  C C   . ILE A 37  ? 0.6346 0.4578 0.6026 0.0844  -0.1670 0.0004  732  ILE A C   \n251  O O   . ILE A 37  ? 0.6756 0.4621 0.6078 0.0796  -0.1844 0.0075  732  ILE A O   \n252  C CB  . ILE A 37  ? 0.6827 0.4801 0.6405 0.0951  -0.1610 -0.0046 732  ILE A CB  \n253  C CG1 . ILE A 37  ? 0.7537 0.5548 0.7079 0.0934  -0.1430 -0.0078 732  ILE A CG1 \n254  C CG2 . ILE A 37  ? 0.7526 0.5477 0.7394 0.1172  -0.1776 -0.0133 732  ILE A CG2 \n255  C CD1 . ILE A 37  ? 0.8201 0.5802 0.7371 0.0883  -0.1523 -0.0036 732  ILE A CD1 \n256  N N   . PRO A 38  ? 0.6189 0.4721 0.6160 0.0858  -0.1635 -0.0032 733  PRO A N   \n257  C CA  . PRO A 38  ? 0.6393 0.4840 0.6265 0.0821  -0.1810 0.0003  733  PRO A CA  \n258  C C   . PRO A 38  ? 0.6604 0.4876 0.6576 0.0980  -0.2083 -0.0030 733  PRO A C   \n259  O O   . PRO A 38  ? 0.7448 0.5324 0.7041 0.0960  -0.2277 0.0039  733  PRO A O   \n260  C CB  . PRO A 38  ? 0.6077 0.4913 0.6286 0.0801  -0.1680 -0.0046 733  PRO A CB  \n261  C CG  . PRO A 38  ? 0.5722 0.4836 0.6315 0.0895  -0.1506 -0.0125 733  PRO A CG  \n262  C CD  . PRO A 38  ? 0.5823 0.4759 0.6204 0.0899  -0.1436 -0.0106 733  PRO A CD  \n263  N N   . VAL A 43  ? 0.7206 0.6421 0.8794 0.1567  -0.1635 -0.0480 738  VAL A N   \n264  C CA  . VAL A 43  ? 0.6706 0.6196 0.8403 0.1499  -0.1327 -0.0501 738  VAL A CA  \n265  C C   . VAL A 43  ? 0.6488 0.5766 0.7715 0.1351  -0.1219 -0.0400 738  VAL A C   \n266  O O   . VAL A 43  ? 0.6367 0.5387 0.7231 0.1243  -0.1338 -0.0301 738  VAL A O   \n267  C CB  . VAL A 43  ? 0.6412 0.6271 0.8428 0.1425  -0.1212 -0.0514 738  VAL A CB  \n268  C CG1 . VAL A 43  ? 0.6153 0.5916 0.7868 0.1250  -0.1249 -0.0398 738  VAL A CG1 \n269  C CG2 . VAL A 43  ? 0.6498 0.6643 0.8716 0.1405  -0.0913 -0.0564 738  VAL A CG2 \n270  N N   . LYS A 44  ? 0.6159 0.5552 0.7400 0.1345  -0.0996 -0.0433 739  LYS A N   \n271  C CA  . LYS A 44  ? 0.5963 0.5189 0.6816 0.1224  -0.0898 -0.0361 739  LYS A CA  \n272  C C   . LYS A 44  ? 0.5480 0.4960 0.6381 0.1121  -0.0672 -0.0341 739  LYS A C   \n273  O O   . LYS A 44  ? 0.5299 0.5002 0.6438 0.1176  -0.0503 -0.0407 739  LYS A O   \n274  C CB  . LYS A 44  ? 0.6077 0.5126 0.6818 0.1319  -0.0875 -0.0420 739  LYS A CB  \n275  C CG  . LYS A 44  ? 0.7053 0.5762 0.7665 0.1415  -0.1114 -0.0431 739  LYS A CG  \n276  C CD  . LYS A 44  ? 0.7413 0.5956 0.7937 0.1519  -0.1076 -0.0509 739  LYS A CD  \n277  C CE  . LYS A 44  ? 0.8570 0.6703 0.8906 0.1604  -0.1327 -0.0510 739  LYS A CE  \n278  N NZ  . LYS A 44  ? 0.8608 0.6510 0.8755 0.1662  -0.1296 -0.0570 739  LYS A NZ  \n279  N N   . ILE A 45  ? 0.4971 0.4401 0.5631 0.0971  -0.0667 -0.0251 740  ILE A N   \n280  C CA  . ILE A 45  ? 0.4373 0.4009 0.5066 0.0880  -0.0491 -0.0227 740  ILE A CA  \n281  C C   . ILE A 45  ? 0.4067 0.3581 0.4440 0.0791  -0.0422 -0.0184 740  ILE A C   \n282  O O   . ILE A 45  ? 0.4325 0.3656 0.4441 0.0706  -0.0519 -0.0131 740  ILE A O   \n283  C CB  . ILE A 45  ? 0.4544 0.4280 0.5294 0.0794  -0.0543 -0.0183 740  ILE A CB  \n284  C CG1 . ILE A 45  ? 0.5123 0.4981 0.6207 0.0879  -0.0641 -0.0235 740  ILE A CG1 \n285  C CG2 . ILE A 45  ? 0.3990 0.3910 0.4780 0.0715  -0.0375 -0.0165 740  ILE A CG2 \n286  C CD1 . ILE A 45  ? 0.5468 0.5289 0.6507 0.0815  -0.0793 -0.0195 740  ILE A CD1 \n287  N N   . PRO A 46  ? 0.3922 0.3533 0.4306 0.0803  -0.0256 -0.0209 741  PRO A N   \n288  C CA  . PRO A 46  ? 0.3859 0.3375 0.3969 0.0729  -0.0207 -0.0180 741  PRO A CA  \n289  C C   . PRO A 46  ? 0.3648 0.3228 0.3667 0.0603  -0.0208 -0.0120 741  PRO A C   \n290  O O   . PRO A 46  ? 0.3704 0.3455 0.3871 0.0585  -0.0142 -0.0110 741  PRO A O   \n291  C CB  . PRO A 46  ? 0.3968 0.3588 0.4130 0.0783  -0.0035 -0.0221 741  PRO A CB  \n292  C CG  . PRO A 46  ? 0.4267 0.3988 0.4705 0.0898  0.0004  -0.0289 741  PRO A CG  \n293  C CD  . PRO A 46  ? 0.3955 0.3760 0.4593 0.0882  -0.0106 -0.0269 741  PRO A CD  \n294  N N   . VAL A 47  ? 0.3582 0.3024 0.3369 0.0513  -0.0280 -0.0087 742  VAL A N   \n295  C CA  . VAL A 47  ? 0.3582 0.3097 0.3287 0.0393  -0.0276 -0.0048 742  VAL A CA  \n296  C C   . VAL A 47  ? 0.3487 0.2955 0.2999 0.0311  -0.0258 -0.0046 742  VAL A C   \n297  O O   . VAL A 47  ? 0.3798 0.3114 0.3185 0.0322  -0.0286 -0.0062 742  VAL A O   \n298  C CB  . VAL A 47  ? 0.3616 0.3046 0.3251 0.0325  -0.0394 -0.0012 742  VAL A CB  \n299  C CG1 . VAL A 47  ? 0.3546 0.3060 0.3396 0.0394  -0.0433 -0.0021 742  VAL A CG1 \n300  C CG2 . VAL A 47  ? 0.3819 0.2977 0.3242 0.0300  -0.0509 0.0008  742  VAL A CG2 \n301  N N   . ALA A 48  ? 0.3129 0.2737 0.2639 0.0235  -0.0217 -0.0039 743  ALA A N   \n302  C CA  . ALA A 48  ? 0.3377 0.2985 0.2751 0.0131  -0.0222 -0.0045 743  ALA A CA  \n303  C C   . ALA A 48  ? 0.3548 0.3138 0.2837 0.0010  -0.0265 -0.0020 743  ALA A C   \n304  O O   . ALA A 48  ? 0.3429 0.3083 0.2781 0.0008  -0.0269 -0.0007 743  ALA A O   \n305  C CB  . ALA A 48  ? 0.3221 0.3006 0.2665 0.0140  -0.0153 -0.0071 743  ALA A CB  \n306  N N   . ILE A 49  ? 0.3463 0.2952 0.2592 -0.0102 -0.0296 -0.0014 744  ILE A N   \n307  C CA  . ILE A 49  ? 0.3855 0.3281 0.2839 -0.0244 -0.0324 0.0017  744  ILE A CA  \n308  C C   . ILE A 49  ? 0.4151 0.3724 0.3120 -0.0374 -0.0264 -0.0018 744  ILE A C   \n309  O O   . ILE A 49  ? 0.4256 0.3770 0.3173 -0.0417 -0.0278 -0.0035 744  ILE A O   \n310  C CB  . ILE A 49  ? 0.4075 0.3181 0.2851 -0.0283 -0.0428 0.0066  744  ILE A CB  \n311  C CG1 . ILE A 49  ? 0.4221 0.3210 0.3065 -0.0132 -0.0504 0.0080  744  ILE A CG1 \n312  C CG2 . ILE A 49  ? 0.4726 0.3718 0.3278 -0.0458 -0.0450 0.0112  744  ILE A CG2 \n313  C CD1 . ILE A 49  ? 0.5212 0.3881 0.3904 -0.0102 -0.0616 0.0101  744  ILE A CD1 \n314  N N   . LYS A 50  ? 0.3873 0.3648 0.2906 -0.0429 -0.0200 -0.0044 745  LYS A N   \n315  C CA  . LYS A 50  ? 0.4138 0.4104 0.3208 -0.0550 -0.0135 -0.0098 745  LYS A CA  \n316  C C   . LYS A 50  ? 0.4512 0.4402 0.3390 -0.0740 -0.0113 -0.0072 745  LYS A C   \n317  O O   . LYS A 50  ? 0.4685 0.4571 0.3488 -0.0767 -0.0094 -0.0056 745  LYS A O   \n318  C CB  . LYS A 50  ? 0.4016 0.4271 0.3296 -0.0483 -0.0070 -0.0165 745  LYS A CB  \n319  C CG  . LYS A 50  ? 0.4172 0.4675 0.3565 -0.0572 -0.0012 -0.0247 745  LYS A CG  \n320  C CD  . LYS A 50  ? 0.4333 0.5079 0.3941 -0.0459 0.0021  -0.0318 745  LYS A CD  \n321  C CE  . LYS A 50  ? 0.5048 0.6062 0.4829 -0.0503 0.0051  -0.0418 745  LYS A CE  \n322  N NZ  . LYS A 50  ? 0.4660 0.5832 0.4633 -0.0344 0.0036  -0.0478 745  LYS A NZ  \n323  N N   . GLU A 51  ? 0.4836 0.4644 0.3611 -0.0879 -0.0116 -0.0068 746  GLU A N   \n324  C CA  . GLU A 51  ? 0.5072 0.4799 0.3640 -0.1097 -0.0073 -0.0041 746  GLU A CA  \n325  C C   . GLU A 51  ? 0.5405 0.5474 0.4143 -0.1217 0.0045  -0.0134 746  GLU A C   \n326  O O   . GLU A 51  ? 0.5412 0.5589 0.4282 -0.1250 0.0041  -0.0184 746  GLU A O   \n327  C CB  . GLU A 51  ? 0.5358 0.4733 0.3686 -0.1197 -0.0156 0.0028  746  GLU A CB  \n328  C CG  . GLU A 51  ? 0.6023 0.5246 0.4073 -0.1447 -0.0111 0.0077  746  GLU A CG  \n329  C CD  . GLU A 51  ? 0.7266 0.6026 0.5002 -0.1521 -0.0228 0.0174  746  GLU A CD  \n330  O OE1 . GLU A 51  ? 0.7163 0.5806 0.4934 -0.1492 -0.0296 0.0164  746  GLU A OE1 \n331  O OE2 . GLU A 51  ? 0.7957 0.6442 0.5387 -0.1608 -0.0262 0.0257  746  GLU A OE2 \n332  N N   . LEU A 52  ? 0.5725 0.5969 0.4467 -0.1279 0.0144  -0.0169 747  LEU A N   \n333  C CA  . LEU A 52  ? 0.5823 0.6452 0.4784 -0.1364 0.0269  -0.0284 747  LEU A CA  \n334  C C   . LEU A 52  ? 0.6214 0.6863 0.5096 -0.1619 0.0342  -0.0295 747  LEU A C   \n335  O O   . LEU A 52  ? 0.6621 0.6956 0.5183 -0.1772 0.0329  -0.0200 747  LEU A O   \n336  C CB  . LEU A 52  ? 0.5822 0.6617 0.4792 -0.1350 0.0362  -0.0332 747  LEU A CB  \n337  C CG  . LEU A 52  ? 0.6326 0.7099 0.5356 -0.1137 0.0306  -0.0326 747  LEU A CG  \n338  C CD1 . LEU A 52  ? 0.6492 0.7456 0.5536 -0.1158 0.0410  -0.0403 747  LEU A CD1 \n339  C CD2 . LEU A 52  ? 0.6195 0.7100 0.5507 -0.0939 0.0243  -0.0367 747  LEU A CD2 \n340  N N   . ALA A 60  ? 1.1742 1.1556 0.7283 -0.2551 0.1245  -0.0371 755  ALA A N   \n341  C CA  . ALA A 60  ? 1.1140 1.1333 0.7289 -0.2294 0.1200  -0.0491 755  ALA A CA  \n342  C C   . ALA A 60  ? 1.0938 1.0892 0.7180 -0.2060 0.0918  -0.0396 755  ALA A C   \n343  O O   . ALA A 60  ? 1.0522 1.0675 0.7110 -0.1847 0.0860  -0.0484 755  ALA A O   \n344  C CB  . ALA A 60  ? 1.0706 1.1272 0.7332 -0.2319 0.1303  -0.0551 755  ALA A CB  \n345  N N   . ASN A 61  ? 1.1188 1.0712 0.7120 -0.2105 0.0746  -0.0223 756  ASN A N   \n346  C CA  . ASN A 61  ? 1.0918 1.0216 0.6945 -0.1899 0.0481  -0.0133 756  ASN A CA  \n347  C C   . ASN A 61  ? 1.0690 1.0031 0.6817 -0.1709 0.0384  -0.0204 756  ASN A C   \n348  O O   . ASN A 61  ? 1.0155 0.9596 0.6658 -0.1507 0.0264  -0.0215 756  ASN A O   \n349  C CB  . ASN A 61  ? 1.1463 1.0235 0.7013 -0.1988 0.0309  0.0042  756  ASN A CB  \n350  C CG  . ASN A 61  ? 1.1655 1.0318 0.7160 -0.2135 0.0341  0.0130  756  ASN A CG  \n351  O OD1 . ASN A 61  ? 1.2597 1.0834 0.7636 -0.2280 0.0267  0.0260  756  ASN A OD1 \n352  N ND2 . ASN A 61  ? 1.1423 1.0439 0.7391 -0.2098 0.0435  0.0061  756  ASN A ND2 \n353  N N   . LYS A 62  ? 1.0729 0.9983 0.6499 -0.1788 0.0442  -0.0253 757  LYS A N   \n354  C CA  . LYS A 62  ? 1.0581 0.9850 0.6383 -0.1639 0.0356  -0.0334 757  LYS A CA  \n355  C C   . LYS A 62  ? 0.9962 0.9663 0.6312 -0.1477 0.0443  -0.0486 757  LYS A C   \n356  O O   . LYS A 62  ? 0.9722 0.9438 0.6293 -0.1298 0.0309  -0.0516 757  LYS A O   \n357  C CB  . LYS A 62  ? 1.1207 1.0319 0.6482 -0.1784 0.0446  -0.0379 757  LYS A CB  \n358  C CG  . LYS A 62  ? 1.1323 1.0311 0.6483 -0.1658 0.0302  -0.0435 757  LYS A CG  \n359  C CD  . LYS A 62  ? 1.1890 1.0690 0.6459 -0.1817 0.0400  -0.0479 757  LYS A CD  \n360  C CE  . LYS A 62  ? 1.2137 1.0839 0.6610 -0.1690 0.0262  -0.0564 757  LYS A CE  \n361  N NZ  . LYS A 62  ? 1.2912 1.1421 0.6772 -0.1839 0.0362  -0.0621 757  LYS A NZ  \n362  N N   . GLU A 63  ? 0.9541 0.9581 0.6109 -0.1544 0.0657  -0.0581 758  GLU A N   \n363  C CA  . GLU A 63  ? 0.8991 0.9427 0.6060 -0.1392 0.0734  -0.0729 758  GLU A CA  \n364  C C   . GLU A 63  ? 0.8209 0.8720 0.5694 -0.1248 0.0619  -0.0668 758  GLU A C   \n365  O O   . GLU A 63  ? 0.7858 0.8496 0.5669 -0.1066 0.0555  -0.0725 758  GLU A O   \n366  C CB  . GLU A 63  ? 0.9305 1.0092 0.6475 -0.1512 0.0992  -0.0866 758  GLU A CB  \n367  C CG  . GLU A 63  ? 0.9493 1.0673 0.7112 -0.1350 0.1074  -0.1054 758  GLU A CG  \n368  C CD  . GLU A 63  ? 1.0284 1.1816 0.7970 -0.1470 0.1335  -0.1220 758  GLU A CD  \n369  O OE1 . GLU A 63  ? 1.0491 1.2123 0.8166 -0.1645 0.1453  -0.1188 758  GLU A OE1 \n370  O OE2 . GLU A 63  ? 1.0570 1.2285 0.8332 -0.1391 0.1424  -0.1392 758  GLU A OE2 \n371  N N   . ILE A 64  ? 0.7769 0.8177 0.5211 -0.1338 0.0596  -0.0553 759  ILE A N   \n372  C CA  . ILE A 64  ? 0.7044 0.7478 0.4810 -0.1216 0.0488  -0.0488 759  ILE A CA  \n373  C C   . ILE A 64  ? 0.6631 0.6858 0.4441 -0.1053 0.0287  -0.0418 759  ILE A C   \n374  O O   . ILE A 64  ? 0.5916 0.6263 0.4072 -0.0895 0.0233  -0.0433 759  ILE A O   \n375  C CB  . ILE A 64  ? 0.7339 0.7636 0.4982 -0.1355 0.0487  -0.0379 759  ILE A CB  \n376  C CG1 . ILE A 64  ? 0.7810 0.8391 0.5537 -0.1511 0.0691  -0.0465 759  ILE A CG1 \n377  C CG2 . ILE A 64  ? 0.6347 0.6602 0.4254 -0.1215 0.0353  -0.0309 759  ILE A CG2 \n378  C CD1 . ILE A 64  ? 0.8756 0.9144 0.6221 -0.1726 0.0720  -0.0362 759  ILE A CD1 \n379  N N   . LEU A 65  ? 0.6734 0.6649 0.4188 -0.1097 0.0176  -0.0345 760  LEU A N   \n380  C CA  . LEU A 65  ? 0.6493 0.6233 0.4002 -0.0955 -0.0020 -0.0294 760  LEU A CA  \n381  C C   . LEU A 65  ? 0.6272 0.6186 0.4020 -0.0825 -0.0020 -0.0405 760  LEU A C   \n382  O O   . LEU A 65  ? 0.5684 0.5614 0.3706 -0.0685 -0.0124 -0.0390 760  LEU A O   \n383  C CB  . LEU A 65  ? 0.7145 0.6514 0.4206 -0.1031 -0.0158 -0.0207 760  LEU A CB  \n384  C CG  . LEU A 65  ? 0.7049 0.6129 0.3870 -0.1115 -0.0245 -0.0070 760  LEU A CG  \n385  C CD1 . LEU A 65  ? 0.8280 0.6966 0.4619 -0.1177 -0.0401 0.0005  760  LEU A CD1 \n386  C CD2 . LEU A 65  ? 0.7008 0.6091 0.4161 -0.0973 -0.0360 -0.0014 760  LEU A CD2 \n387  N N   . ASP A 66  ? 0.6598 0.6630 0.4232 -0.0877 0.0103  -0.0519 761  ASP A N   \n388  C CA  . ASP A 66  ? 0.6624 0.6798 0.4454 -0.0760 0.0109  -0.0641 761  ASP A CA  \n389  C C   . ASP A 66  ? 0.6200 0.6616 0.4491 -0.0626 0.0141  -0.0680 761  ASP A C   \n390  O O   . ASP A 66  ? 0.6060 0.6469 0.4572 -0.0498 0.0048  -0.0690 761  ASP A O   \n391  C CB  . ASP A 66  ? 0.7170 0.7449 0.4793 -0.0844 0.0267  -0.0774 761  ASP A CB  \n392  C CG  . ASP A 66  ? 0.7836 0.8184 0.5577 -0.0726 0.0248  -0.0907 761  ASP A CG  \n393  O OD1 . ASP A 66  ? 0.8360 0.8873 0.6058 -0.0750 0.0398  -0.1052 761  ASP A OD1 \n394  O OD2 . ASP A 66  ? 0.8423 0.8661 0.6305 -0.0615 0.0088  -0.0877 761  ASP A OD2 \n395  N N   . GLU A 67  ? 0.5966 0.6577 0.4388 -0.0667 0.0263  -0.0697 762  GLU A N   \n396  C CA  . GLU A 67  ? 0.5674 0.6487 0.4487 -0.0545 0.0278  -0.0726 762  GLU A CA  \n397  C C   . GLU A 67  ? 0.5160 0.5843 0.4108 -0.0467 0.0152  -0.0603 762  GLU A C   \n398  O O   . GLU A 67  ? 0.4865 0.5598 0.4069 -0.0338 0.0109  -0.0614 762  GLU A O   \n399  C CB  . GLU A 67  ? 0.6048 0.7107 0.4966 -0.0615 0.0421  -0.0783 762  GLU A CB  \n400  C CG  . GLU A 67  ? 0.7042 0.8318 0.5934 -0.0667 0.0575  -0.0942 762  GLU A CG  \n401  C CD  . GLU A 67  ? 0.7712 0.9104 0.6815 -0.0506 0.0564  -0.1072 762  GLU A CD  \n402  O OE1 . GLU A 67  ? 0.8315 0.9721 0.7269 -0.0527 0.0626  -0.1178 762  GLU A OE1 \n403  O OE2 . GLU A 67  ? 0.7937 0.9375 0.7325 -0.0362 0.0491  -0.1068 762  GLU A OE2 \n404  N N   . ALA A 68  ? 0.4679 0.5178 0.3440 -0.0546 0.0095  -0.0490 763  ALA A N   \n405  C CA  . ALA A 68  ? 0.4329 0.4707 0.3210 -0.0471 -0.0016 -0.0389 763  ALA A CA  \n406  C C   . ALA A 68  ? 0.3940 0.4220 0.2916 -0.0368 -0.0134 -0.0375 763  ALA A C   \n407  O O   . ALA A 68  ? 0.3891 0.4180 0.3092 -0.0273 -0.0179 -0.0338 763  ALA A O   \n408  C CB  . ALA A 68  ? 0.4387 0.4559 0.3030 -0.0568 -0.0067 -0.0285 763  ALA A CB  \n409  N N   . TYR A 69  ? 0.4071 0.4260 0.2873 -0.0397 -0.0180 -0.0410 764  TYR A N   \n410  C CA  . TYR A 69  ? 0.3920 0.4031 0.2838 -0.0313 -0.0303 -0.0411 764  TYR A CA  \n411  C C   . TYR A 69  ? 0.3718 0.3979 0.2961 -0.0206 -0.0265 -0.0464 764  TYR A C   \n412  O O   . TYR A 69  ? 0.3766 0.4001 0.3217 -0.0136 -0.0335 -0.0425 764  TYR A O   \n413  C CB  . TYR A 69  ? 0.3980 0.3970 0.2642 -0.0362 -0.0362 -0.0462 764  TYR A CB  \n414  C CG  . TYR A 69  ? 0.4003 0.3917 0.2805 -0.0287 -0.0507 -0.0470 764  TYR A CG  \n415  C CD1 . TYR A 69  ? 0.4111 0.4108 0.3080 -0.0230 -0.0491 -0.0563 764  TYR A CD1 \n416  C CD2 . TYR A 69  ? 0.4712 0.4471 0.3502 -0.0273 -0.0668 -0.0392 764  TYR A CD2 \n417  C CE1 . TYR A 69  ? 0.3895 0.3823 0.3012 -0.0183 -0.0626 -0.0572 764  TYR A CE1 \n418  C CE2 . TYR A 69  ? 0.4262 0.3988 0.3231 -0.0214 -0.0806 -0.0412 764  TYR A CE2 \n419  C CZ  . TYR A 69  ? 0.4251 0.4065 0.3384 -0.0180 -0.0778 -0.0499 764  TYR A CZ  \n420  O OH  . TYR A 69  ? 0.4176 0.3959 0.3498 -0.0142 -0.0912 -0.0520 764  TYR A OH  \n421  N N   . VAL A 70  ? 0.3868 0.4280 0.3154 -0.0197 -0.0155 -0.0556 765  VAL A N   \n422  C CA  . VAL A 70  ? 0.3942 0.4451 0.3492 -0.0093 -0.0132 -0.0604 765  VAL A CA  \n423  C C   . VAL A 70  ? 0.3668 0.4201 0.3409 -0.0038 -0.0130 -0.0521 765  VAL A C   \n424  O O   . VAL A 70  ? 0.3488 0.3987 0.3407 0.0030  -0.0165 -0.0497 765  VAL A O   \n425  C CB  . VAL A 70  ? 0.4258 0.4931 0.3829 -0.0075 -0.0027 -0.0729 765  VAL A CB  \n426  C CG1 . VAL A 70  ? 0.4399 0.5113 0.4209 0.0045  -0.0034 -0.0774 765  VAL A CG1 \n427  C CG2 . VAL A 70  ? 0.4952 0.5598 0.4305 -0.0131 -0.0010 -0.0824 765  VAL A CG2 \n428  N N   . MET A 71  ? 0.3348 0.3921 0.3029 -0.0082 -0.0086 -0.0477 766  MET A N   \n429  C CA  . MET A 71  ? 0.3058 0.3633 0.2867 -0.0036 -0.0083 -0.0406 766  MET A CA  \n430  C C   . MET A 71  ? 0.3238 0.3685 0.3099 -0.0012 -0.0163 -0.0321 766  MET A C   \n431  O O   . MET A 71  ? 0.3375 0.3821 0.3376 0.0047  -0.0153 -0.0279 766  MET A O   \n432  C CB  . MET A 71  ? 0.3275 0.3898 0.2984 -0.0104 -0.0034 -0.0387 766  MET A CB  \n433  C CG  . MET A 71  ? 0.3851 0.4660 0.3586 -0.0125 0.0055  -0.0482 766  MET A CG  \n434  S SD  . MET A 71  ? 0.4701 0.5563 0.4274 -0.0271 0.0119  -0.0474 766  MET A SD  \n435  C CE  . MET A 71  ? 0.5137 0.5815 0.4666 -0.0269 0.0046  -0.0348 766  MET A CE  \n436  N N   . ALA A 72  ? 0.3391 0.3730 0.3132 -0.0056 -0.0243 -0.0304 767  ALA A N   \n437  C CA  . ALA A 72  ? 0.3203 0.3451 0.3039 -0.0022 -0.0336 -0.0247 767  ALA A CA  \n438  C C   . ALA A 72  ? 0.3127 0.3390 0.3160 0.0023  -0.0377 -0.0275 767  ALA A C   \n439  O O   . ALA A 72  ? 0.3516 0.3766 0.3724 0.0059  -0.0428 -0.0242 767  ALA A O   \n440  C CB  . ALA A 72  ? 0.3375 0.3475 0.2995 -0.0079 -0.0439 -0.0214 767  ALA A CB  \n441  N N   . SER A 73  ? 0.3257 0.3552 0.3275 0.0018  -0.0355 -0.0345 768  SER A N   \n442  C CA  . SER A 73  ? 0.3571 0.3847 0.3739 0.0039  -0.0408 -0.0380 768  SER A CA  \n443  C C   . SER A 73  ? 0.3612 0.3930 0.3988 0.0090  -0.0339 -0.0377 768  SER A C   \n444  O O   . SER A 73  ? 0.3889 0.4177 0.4420 0.0094  -0.0374 -0.0388 768  SER A O   \n445  C CB  . SER A 73  ? 0.3962 0.4201 0.3964 0.0007  -0.0438 -0.0467 768  SER A CB  \n446  O OG  . SER A 73  ? 0.4795 0.5106 0.4799 0.0035  -0.0343 -0.0530 768  SER A OG  \n447  N N   . VAL A 74  ? 0.3441 0.3809 0.3803 0.0121  -0.0249 -0.0361 769  VAL A N   \n448  C CA  . VAL A 74  ? 0.3311 0.3669 0.3804 0.0171  -0.0196 -0.0349 769  VAL A CA  \n449  C C   . VAL A 74  ? 0.3565 0.3901 0.4222 0.0171  -0.0184 -0.0278 769  VAL A C   \n450  O O   . VAL A 74  ? 0.3949 0.4311 0.4620 0.0168  -0.0184 -0.0233 769  VAL A O   \n451  C CB  . VAL A 74  ? 0.3392 0.3799 0.3821 0.0212  -0.0129 -0.0351 769  VAL A CB  \n452  C CG1 . VAL A 74  ? 0.3879 0.4348 0.4221 0.0221  -0.0123 -0.0447 769  VAL A CG1 \n453  C CG2 . VAL A 74  ? 0.3703 0.4148 0.4066 0.0196  -0.0105 -0.0297 769  VAL A CG2 \n454  N N   . ASP A 75  ? 0.3411 0.3692 0.4192 0.0172  -0.0170 -0.0274 770  ASP A N   \n455  C CA  . ASP A 75  ? 0.3603 0.3883 0.4557 0.0154  -0.0130 -0.0217 770  ASP A CA  \n456  C C   . ASP A 75  ? 0.3189 0.3370 0.4149 0.0163  -0.0060 -0.0188 770  ASP A C   \n457  O O   . ASP A 75  ? 0.3314 0.3411 0.4336 0.0135  -0.0082 -0.0208 770  ASP A O   \n458  C CB  . ASP A 75  ? 0.3647 0.3951 0.4775 0.0105  -0.0209 -0.0244 770  ASP A CB  \n459  C CG  . ASP A 75  ? 0.4549 0.4905 0.5921 0.0076  -0.0154 -0.0204 770  ASP A CG  \n460  O OD1 . ASP A 75  ? 0.4127 0.4502 0.5498 0.0097  -0.0051 -0.0153 770  ASP A OD1 \n461  O OD2 . ASP A 75  ? 0.5597 0.5981 0.7165 0.0027  -0.0212 -0.0234 770  ASP A OD2 \n462  N N   . ASN A 76  ? 0.2877 0.3038 0.3736 0.0203  0.0011  -0.0141 771  ASN A N   \n463  C CA  . ASN A 76  ? 0.3199 0.3223 0.3997 0.0217  0.0071  -0.0096 771  ASN A CA  \n464  C C   . ASN A 76  ? 0.3138 0.3165 0.3868 0.0235  0.0158  -0.0033 771  ASN A C   \n465  O O   . ASN A 76  ? 0.3058 0.3166 0.3717 0.0270  0.0148  -0.0043 771  ASN A O   \n466  C CB  . ASN A 76  ? 0.3072 0.3023 0.3727 0.0282  0.0022  -0.0138 771  ASN A CB  \n467  C CG  . ASN A 76  ? 0.2930 0.2687 0.3483 0.0309  0.0049  -0.0087 771  ASN A CG  \n468  O OD1 . ASN A 76  ? 0.3419 0.3135 0.3843 0.0352  0.0080  -0.0046 771  ASN A OD1 \n469  N ND2 . ASN A 76  ? 0.3275 0.2880 0.3862 0.0280  0.0027  -0.0088 771  ASN A ND2 \n470  N N   . PRO A 77  ? 0.3448 0.3370 0.4176 0.0204  0.0248  0.0029  772  PRO A N   \n471  C CA  . PRO A 77  ? 0.3470 0.3384 0.4101 0.0222  0.0343  0.0079  772  PRO A CA  \n472  C C   . PRO A 77  ? 0.3500 0.3355 0.3898 0.0300  0.0310  0.0082  772  PRO A C   \n473  O O   . PRO A 77  ? 0.3581 0.3450 0.3891 0.0323  0.0359  0.0102  772  PRO A O   \n474  C CB  . PRO A 77  ? 0.3913 0.3684 0.4526 0.0159  0.0453  0.0145  772  PRO A CB  \n475  C CG  . PRO A 77  ? 0.4329 0.4080 0.5113 0.0090  0.0418  0.0127  772  PRO A CG  \n476  C CD  . PRO A 77  ? 0.3328 0.3122 0.4123 0.0137  0.0277  0.0055  772  PRO A CD  \n477  N N   . HIS A 78  ? 0.3155 0.2951 0.3471 0.0345  0.0223  0.0051  773  HIS A N   \n478  C CA  . HIS A 78  ? 0.3037 0.2801 0.3178 0.0421  0.0175  0.0039  773  HIS A CA  \n479  C C   . HIS A 78  ? 0.2813 0.2745 0.2996 0.0450  0.0100  -0.0040 773  HIS A C   \n480  O O   . HIS A 78  ? 0.2905 0.2841 0.3004 0.0511  0.0044  -0.0073 773  HIS A O   \n481  C CB  . HIS A 78  ? 0.3316 0.2863 0.3307 0.0467  0.0138  0.0067  773  HIS A CB  \n482  C CG  . HIS A 78  ? 0.4116 0.3468 0.4009 0.0413  0.0233  0.0159  773  HIS A CG  \n483  N ND1 . HIS A 78  ? 0.4580 0.3899 0.4350 0.0398  0.0328  0.0212  773  HIS A ND1 \n484  C CD2 . HIS A 78  ? 0.4396 0.3587 0.4302 0.0355  0.0264  0.0201  773  HIS A CD2 \n485  C CE1 . HIS A 78  ? 0.4444 0.3599 0.4149 0.0328  0.0429  0.0285  773  HIS A CE1 \n486  N NE2 . HIS A 78  ? 0.4577 0.3649 0.4366 0.0294  0.0390  0.0285  773  HIS A NE2 \n487  N N   . VAL A 79  ? 0.2669 0.2736 0.2977 0.0402  0.0096  -0.0072 774  VAL A N   \n488  C CA  . VAL A 79  ? 0.2638 0.2848 0.2958 0.0398  0.0048  -0.0138 774  VAL A CA  \n489  C C   . VAL A 79  ? 0.2346 0.2626 0.2691 0.0350  0.0064  -0.0120 774  VAL A C   \n490  O O   . VAL A 79  ? 0.2785 0.3060 0.3233 0.0318  0.0077  -0.0098 774  VAL A O   \n491  C CB  . VAL A 79  ? 0.2774 0.3023 0.3165 0.0388  0.0002  -0.0207 774  VAL A CB  \n492  C CG1 . VAL A 79  ? 0.3112 0.3510 0.3477 0.0370  -0.0021 -0.0278 774  VAL A CG1 \n493  C CG2 . VAL A 79  ? 0.2979 0.3119 0.3354 0.0450  -0.0028 -0.0231 774  VAL A CG2 \n494  N N   . CYS A 80  ? 0.2817 0.3150 0.3080 0.0349  0.0055  -0.0130 775  CYS A N   \n495  C CA  . CYS A 80  ? 0.2612 0.2972 0.2868 0.0308  0.0047  -0.0116 775  CYS A CA  \n496  C C   . CYS A 80  ? 0.2856 0.3266 0.3138 0.0256  -0.0001 -0.0149 775  CYS A C   \n497  O O   . CYS A 80  ? 0.2962 0.3420 0.3236 0.0246  -0.0016 -0.0201 775  CYS A O   \n498  C CB  . CYS A 80  ? 0.2760 0.3133 0.2902 0.0302  0.0039  -0.0121 775  CYS A CB  \n499  S SG  . CYS A 80  ? 0.3408 0.3689 0.3459 0.0363  0.0078  -0.0086 775  CYS A SG  \n500  N N   . ARG A 81  ? 0.3049 0.3432 0.3353 0.0231  -0.0031 -0.0126 776  ARG A N   \n501  C CA  . ARG A 81  ? 0.3048 0.3433 0.3329 0.0182  -0.0097 -0.0147 776  ARG A CA  \n502  C C   . ARG A 81  ? 0.2807 0.3143 0.2945 0.0142  -0.0137 -0.0128 776  ARG A C   \n503  O O   . ARG A 81  ? 0.2978 0.3265 0.3115 0.0168  -0.0133 -0.0094 776  ARG A O   \n504  C CB  . ARG A 81  ? 0.3169 0.3536 0.3612 0.0194  -0.0134 -0.0136 776  ARG A CB  \n505  C CG  . ARG A 81  ? 0.4333 0.4683 0.4752 0.0153  -0.0226 -0.0166 776  ARG A CG  \n506  C CD  . ARG A 81  ? 0.4104 0.4459 0.4730 0.0167  -0.0285 -0.0164 776  ARG A CD  \n507  N NE  . ARG A 81  ? 0.5530 0.5860 0.6200 0.0191  -0.0345 -0.0138 776  ARG A NE  \n508  C CZ  . ARG A 81  ? 0.5265 0.5510 0.5799 0.0174  -0.0460 -0.0134 776  ARG A CZ  \n509  N NH1 . ARG A 81  ? 0.5020 0.5202 0.5337 0.0116  -0.0510 -0.0151 776  ARG A NH1 \n510  N NH2 . ARG A 81  ? 0.6120 0.6325 0.6715 0.0218  -0.0526 -0.0115 776  ARG A NH2 \n511  N N   . LEU A 82  ? 0.3005 0.3332 0.3002 0.0073  -0.0171 -0.0150 777  LEU A N   \n512  C CA  . LEU A 82  ? 0.3059 0.3284 0.2879 0.0013  -0.0221 -0.0119 777  LEU A CA  \n513  C C   . LEU A 82  ? 0.3486 0.3604 0.3341 0.0040  -0.0323 -0.0089 777  LEU A C   \n514  O O   . LEU A 82  ? 0.3732 0.3863 0.3657 0.0048  -0.0372 -0.0110 777  LEU A O   \n515  C CB  . LEU A 82  ? 0.3419 0.3657 0.3046 -0.0087 -0.0208 -0.0152 777  LEU A CB  \n516  C CG  . LEU A 82  ? 0.4905 0.5040 0.4303 -0.0187 -0.0219 -0.0120 777  LEU A CG  \n517  C CD1 . LEU A 82  ? 0.4862 0.5059 0.4300 -0.0189 -0.0158 -0.0120 777  LEU A CD1 \n518  C CD2 . LEU A 82  ? 0.5096 0.5262 0.4313 -0.0295 -0.0181 -0.0161 777  LEU A CD2 \n519  N N   . LEU A 83  ? 0.3374 0.3385 0.3192 0.0061  -0.0369 -0.0049 778  LEU A N   \n520  C CA  . LEU A 83  ? 0.3674 0.3586 0.3552 0.0108  -0.0489 -0.0031 778  LEU A CA  \n521  C C   . LEU A 83  ? 0.4091 0.3818 0.3698 0.0038  -0.0604 -0.0003 778  LEU A C   \n522  O O   . LEU A 83  ? 0.4380 0.4025 0.3987 0.0059  -0.0732 -0.0001 778  LEU A O   \n523  C CB  . LEU A 83  ? 0.3715 0.3587 0.3694 0.0188  -0.0488 -0.0016 778  LEU A CB  \n524  C CG  . LEU A 83  ? 0.4448 0.4460 0.4654 0.0259  -0.0372 -0.0036 778  LEU A CG  \n525  C CD1 . LEU A 83  ? 0.4673 0.4614 0.4907 0.0330  -0.0373 -0.0033 778  LEU A CD1 \n526  C CD2 . LEU A 83  ? 0.5306 0.5440 0.5773 0.0294  -0.0370 -0.0061 778  LEU A CD2 \n527  N N   . GLY A 84  ? 0.3999 0.3646 0.3365 -0.0050 -0.0565 0.0019  779  GLY A N   \n528  C CA  . GLY A 84  ? 0.4360 0.3780 0.3406 -0.0139 -0.0659 0.0062  779  GLY A CA  \n529  C C   . GLY A 84  ? 0.4161 0.3561 0.2972 -0.0276 -0.0566 0.0073  779  GLY A C   \n530  O O   . GLY A 84  ? 0.4070 0.3636 0.2988 -0.0287 -0.0447 0.0042  779  GLY A O   \n531  N N   . ILE A 85  ? 0.4457 0.3643 0.2937 -0.0386 -0.0628 0.0115  780  ILE A N   \n532  C CA  . ILE A 85  ? 0.4612 0.3776 0.2850 -0.0550 -0.0528 0.0124  780  ILE A CA  \n533  C C   . ILE A 85  ? 0.5348 0.4154 0.3220 -0.0645 -0.0637 0.0210  780  ILE A C   \n534  O O   . ILE A 85  ? 0.5552 0.4132 0.3286 -0.0600 -0.0796 0.0252  780  ILE A O   \n535  C CB  . ILE A 85  ? 0.4613 0.3945 0.2789 -0.0630 -0.0423 0.0062  780  ILE A CB  \n536  C CG1 . ILE A 85  ? 0.5225 0.4631 0.3246 -0.0799 -0.0279 0.0044  780  ILE A CG1 \n537  C CG2 . ILE A 85  ? 0.5194 0.4338 0.3128 -0.0650 -0.0534 0.0082  780  ILE A CG2 \n538  C CD1 . ILE A 85  ? 0.5337 0.5019 0.3441 -0.0833 -0.0138 -0.0057 780  ILE A CD1 \n539  N N   . CYS A 86  ? 0.5374 0.4117 0.3092 -0.0776 -0.0565 0.0235  781  CYS A N   \n540  C CA  . CYS A 86  ? 0.6331 0.4702 0.3648 -0.0906 -0.0647 0.0324  781  CYS A CA  \n541  C C   . CYS A 86  ? 0.6545 0.4965 0.3638 -0.1135 -0.0488 0.0319  781  CYS A C   \n542  O O   . CYS A 86  ? 0.6334 0.4962 0.3588 -0.1195 -0.0361 0.0276  781  CYS A O   \n543  C CB  . CYS A 86  ? 0.6502 0.4676 0.3851 -0.0846 -0.0740 0.0365  781  CYS A CB  \n544  S SG  . CYS A 86  ? 0.7502 0.5130 0.4328 -0.0996 -0.0878 0.0485  781  CYS A SG  \n545  N N   . LEU A 87  ? 0.7143 0.5380 0.3864 -0.1265 -0.0494 0.0357  782  LEU A N   \n546  C CA  . LEU A 87  ? 0.7875 0.6170 0.4364 -0.1499 -0.0317 0.0345  782  LEU A CA  \n547  C C   . LEU A 87  ? 0.8580 0.6433 0.4596 -0.1687 -0.0377 0.0463  782  LEU A C   \n548  O O   . LEU A 87  ? 0.9112 0.6598 0.4734 -0.1715 -0.0508 0.0545  782  LEU A O   \n549  C CB  . LEU A 87  ? 0.8086 0.6508 0.4457 -0.1536 -0.0237 0.0287  782  LEU A CB  \n550  C CG  . LEU A 87  ? 0.7937 0.6766 0.4716 -0.1382 -0.0165 0.0164  782  LEU A CG  \n551  C CD1 . LEU A 87  ? 0.8714 0.7598 0.5282 -0.1454 -0.0082 0.0105  782  LEU A CD1 \n552  C CD2 . LEU A 87  ? 0.8173 0.7386 0.5340 -0.1373 -0.0011 0.0076  782  LEU A CD2 \n553  N N   . THR A 88  ? 0.8880 0.6746 0.4927 -0.1812 -0.0295 0.0473  783  THR A N   \n554  C CA  . THR A 88  ? 0.9757 0.7214 0.5358 -0.2034 -0.0318 0.0582  783  THR A CA  \n555  C C   . THR A 88  ? 0.9941 0.7650 0.5537 -0.2290 -0.0068 0.0530  783  THR A C   \n556  O O   . THR A 88  ? 0.9871 0.7861 0.5486 -0.2359 0.0097  0.0454  783  THR A O   \n557  C CB  . THR A 88  ? 0.9795 0.6964 0.5426 -0.1957 -0.0483 0.0644  783  THR A CB  \n558  O OG1 . THR A 88  ? 0.9282 0.6803 0.5352 -0.1900 -0.0393 0.0555  783  THR A OG1 \n559  C CG2 . THR A 88  ? 0.9590 0.6540 0.5260 -0.1700 -0.0722 0.0677  783  THR A CG2 \n560  N N   . SER A 89  ? 1.0100 0.7723 0.5693 -0.2427 -0.0042 0.0557  784  SER A N   \n561  C CA  . SER A 89  ? 1.0182 0.8121 0.5901 -0.2655 0.0187  0.0485  784  SER A CA  \n562  C C   . SER A 89  ? 0.9358 0.7879 0.5667 -0.2499 0.0284  0.0330  784  SER A C   \n563  O O   . SER A 89  ? 0.9112 0.8031 0.5614 -0.2620 0.0484  0.0225  784  SER A O   \n564  C CB  . SER A 89  ? 1.0630 0.8298 0.6219 -0.2828 0.0152  0.0553  784  SER A CB  \n565  O OG  . SER A 89  ? 1.1906 0.8950 0.6975 -0.2890 -0.0016 0.0708  784  SER A OG  \n566  N N   . THR A 90  ? 0.8742 0.7300 0.5329 -0.2228 0.0139  0.0314  785  THR A N   \n567  C CA  . THR A 90  ? 0.8150 0.7175 0.5242 -0.2050 0.0192  0.0188  785  THR A CA  \n568  C C   . THR A 90  ? 0.7579 0.6673 0.4786 -0.1814 0.0121  0.0168  785  THR A C   \n569  O O   . THR A 90  ? 0.7923 0.6699 0.4871 -0.1757 -0.0006 0.0250  785  THR A O   \n570  C CB  . THR A 90  ? 0.7803 0.6817 0.5132 -0.1938 0.0094  0.0181  785  THR A CB  \n571  O OG1 . THR A 90  ? 0.8252 0.6890 0.5435 -0.1784 -0.0096 0.0270  785  THR A OG1 \n572  C CG2 . THR A 90  ? 0.8043 0.7001 0.5308 -0.2167 0.0146  0.0187  785  THR A CG2 \n573  N N   . VAL A 91  ? 0.6828 0.6325 0.4428 -0.1677 0.0189  0.0056  786  VAL A N   \n574  C CA  . VAL A 91  ? 0.6212 0.5786 0.3981 -0.1450 0.0118  0.0031  786  VAL A CA  \n575  C C   . VAL A 91  ? 0.5613 0.5167 0.3620 -0.1269 0.0010  0.0042  786  VAL A C   \n576  O O   . VAL A 91  ? 0.5869 0.5609 0.4095 -0.1263 0.0052  -0.0011 786  VAL A O   \n577  C CB  . VAL A 91  ? 0.6150 0.6135 0.4182 -0.1402 0.0250  -0.0097 786  VAL A CB  \n578  C CG1 . VAL A 91  ? 0.6253 0.6281 0.4450 -0.1183 0.0172  -0.0116 786  VAL A CG1 \n579  C CG2 . VAL A 91  ? 0.6906 0.6939 0.4703 -0.1588 0.0388  -0.0130 786  VAL A CG2 \n580  N N   . GLN A 92  ? 0.5394 0.4719 0.3348 -0.1126 -0.0129 0.0104  787  GLN A N   \n581  C CA  . GLN A 92  ? 0.5084 0.4419 0.3274 -0.0938 -0.0207 0.0099  787  GLN A CA  \n582  C C   . GLN A 92  ? 0.4851 0.4312 0.3241 -0.0760 -0.0233 0.0071  787  GLN A C   \n583  O O   . GLN A 92  ? 0.5077 0.4414 0.3345 -0.0741 -0.0299 0.0101  787  GLN A O   \n584  C CB  . GLN A 92  ? 0.5325 0.4291 0.3334 -0.0917 -0.0346 0.0181  787  GLN A CB  \n585  C CG  . GLN A 92  ? 0.6032 0.4848 0.3880 -0.1076 -0.0335 0.0207  787  GLN A CG  \n586  C CD  . GLN A 92  ? 0.6745 0.5156 0.4399 -0.1040 -0.0489 0.0281  787  GLN A CD  \n587  O OE1 . GLN A 92  ? 0.6306 0.4684 0.4095 -0.0925 -0.0536 0.0259  787  GLN A OE1 \n588  N NE2 . GLN A 92  ? 0.6740 0.4819 0.4054 -0.1133 -0.0572 0.0364  787  GLN A NE2 \n589  N N   . LEU A 93  ? 0.4069 0.3757 0.2749 -0.0639 -0.0191 0.0014  788  LEU A N   \n590  C CA  . LEU A 93  ? 0.4112 0.3927 0.3000 -0.0489 -0.0198 -0.0015 788  LEU A CA  \n591  C C   . LEU A 93  ? 0.3833 0.3561 0.2847 -0.0346 -0.0262 0.0010  788  LEU A C   \n592  O O   . LEU A 93  ? 0.3834 0.3555 0.2880 -0.0332 -0.0250 0.0004  788  LEU A O   \n593  C CB  . LEU A 93  ? 0.3932 0.4045 0.3025 -0.0463 -0.0095 -0.0098 788  LEU A CB  \n594  C CG  . LEU A 93  ? 0.4303 0.4575 0.3336 -0.0593 -0.0001 -0.0158 788  LEU A CG  \n595  C CD1 . LEU A 93  ? 0.4624 0.5184 0.3908 -0.0525 0.0071  -0.0252 788  LEU A CD1 \n596  C CD2 . LEU A 93  ? 0.4558 0.4749 0.3419 -0.0639 -0.0011 -0.0150 788  LEU A CD2 \n597  N N   . ILE A 94  ? 0.3755 0.3425 0.2842 -0.0247 -0.0329 0.0028  789  ILE A N   \n598  C CA  . ILE A 94  ? 0.3533 0.3141 0.2758 -0.0115 -0.0374 0.0039  789  ILE A CA  \n599  C C   . ILE A 94  ? 0.3116 0.2905 0.2593 -0.0011 -0.0324 0.0006  789  ILE A C   \n600  O O   . ILE A 94  ? 0.3126 0.2984 0.2656 -0.0014 -0.0333 -0.0007 789  ILE A O   \n601  C CB  . ILE A 94  ? 0.3929 0.3301 0.3058 -0.0082 -0.0511 0.0082  789  ILE A CB  \n602  C CG1 . ILE A 94  ? 0.4472 0.3591 0.3312 -0.0186 -0.0573 0.0129  789  ILE A CG1 \n603  C CG2 . ILE A 94  ? 0.3872 0.3241 0.3207 0.0068  -0.0538 0.0067  789  ILE A CG2 \n604  C CD1 . ILE A 94  ? 0.5528 0.4542 0.4101 -0.0333 -0.0596 0.0163  789  ILE A CD1 \n605  N N   . THR A 95  ? 0.3132 0.2979 0.2736 0.0070  -0.0270 -0.0008 790  THR A N   \n606  C CA  . THR A 95  ? 0.3087 0.3076 0.2894 0.0148  -0.0206 -0.0029 790  THR A CA  \n607  C C   . THR A 95  ? 0.3012 0.2970 0.2914 0.0244  -0.0176 -0.0029 790  THR A C   \n608  O O   . THR A 95  ? 0.3147 0.2992 0.2948 0.0255  -0.0196 -0.0026 790  THR A O   \n609  C CB  . THR A 95  ? 0.3324 0.3450 0.3141 0.0125  -0.0130 -0.0059 790  THR A CB  \n610  O OG1 . THR A 95  ? 0.3389 0.3600 0.3365 0.0186  -0.0086 -0.0068 790  THR A OG1 \n611  C CG2 . THR A 95  ? 0.2851 0.2965 0.2600 0.0131  -0.0099 -0.0068 790  THR A CG2 \n612  N N   . GLN A 96  ? 0.2909 0.2961 0.2991 0.0304  -0.0117 -0.0038 791  GLN A N   \n613  C CA  . GLN A 96  ? 0.3170 0.3213 0.3338 0.0386  -0.0054 -0.0046 791  GLN A CA  \n614  C C   . GLN A 96  ? 0.2957 0.2952 0.2975 0.0395  0.0002  -0.0050 791  GLN A C   \n615  O O   . GLN A 96  ? 0.3252 0.3289 0.3200 0.0363  0.0026  -0.0048 791  GLN A O   \n616  C CB  . GLN A 96  ? 0.3475 0.3631 0.3848 0.0415  0.0024  -0.0050 791  GLN A CB  \n617  C CG  . GLN A 96  ? 0.3715 0.3877 0.4158 0.0481  0.0126  -0.0063 791  GLN A CG  \n618  C CD  . GLN A 96  ? 0.4865 0.5138 0.5518 0.0482  0.0218  -0.0064 791  GLN A CD  \n619  O OE1 . GLN A 96  ? 0.5004 0.5329 0.5733 0.0435  0.0198  -0.0052 791  GLN A OE1 \n620  N NE2 . GLN A 96  ? 0.4523 0.4823 0.5259 0.0527  0.0329  -0.0083 791  GLN A NE2 \n621  N N   . LEU A 97  ? 0.2870 0.2771 0.2839 0.0448  0.0008  -0.0065 792  LEU A N   \n622  C CA  . LEU A 97  ? 0.2974 0.2808 0.2782 0.0464  0.0050  -0.0077 792  LEU A CA  \n623  C C   . LEU A 97  ? 0.3479 0.3364 0.3307 0.0502  0.0162  -0.0073 792  LEU A C   \n624  O O   . LEU A 97  ? 0.3627 0.3560 0.3593 0.0544  0.0241  -0.0076 792  LEU A O   \n625  C CB  . LEU A 97  ? 0.3334 0.3025 0.3067 0.0517  0.0024  -0.0106 792  LEU A CB  \n626  C CG  . LEU A 97  ? 0.3463 0.3048 0.2997 0.0531  0.0044  -0.0129 792  LEU A CG  \n627  C CD1 . LEU A 97  ? 0.3565 0.3122 0.2959 0.0435  -0.0035 -0.0121 792  LEU A CD1 \n628  C CD2 . LEU A 97  ? 0.4149 0.3586 0.3633 0.0608  0.0032  -0.0174 792  LEU A CD2 \n629  N N   . MET A 98  ? 0.3181 0.3052 0.2872 0.0483  0.0164  -0.0067 793  MET A N   \n630  C CA  . MET A 98  ? 0.3401 0.3255 0.3033 0.0517  0.0248  -0.0051 793  MET A CA  \n631  C C   . MET A 98  ? 0.3347 0.3070 0.2775 0.0560  0.0272  -0.0072 793  MET A C   \n632  O O   . MET A 98  ? 0.3577 0.3245 0.2858 0.0546  0.0196  -0.0090 793  MET A O   \n633  C CB  . MET A 98  ? 0.3219 0.3117 0.2822 0.0489  0.0207  -0.0038 793  MET A CB  \n634  C CG  . MET A 98  ? 0.3353 0.3367 0.3131 0.0448  0.0183  -0.0032 793  MET A CG  \n635  S SD  . MET A 98  ? 0.4092 0.4119 0.4011 0.0460  0.0281  0.0001  793  MET A SD  \n636  C CE  . MET A 98  ? 0.4711 0.4825 0.4845 0.0442  0.0258  -0.0015 793  MET A CE  \n637  N N   . PRO A 99  ? 0.5263 0.3776 0.3826 0.1684  0.0480  -0.0083 794  PRO A N   \n638  C CA  . PRO A 99  ? 0.5414 0.3568 0.3709 0.1765  0.0538  -0.0113 794  PRO A CA  \n639  C C   . PRO A 99  ? 0.5124 0.3104 0.3274 0.1643  0.0556  -0.0170 794  PRO A C   \n640  O O   . PRO A 99  ? 0.5559 0.3210 0.3455 0.1688  0.0595  -0.0205 794  PRO A O   \n641  C CB  . PRO A 99  ? 0.5887 0.4194 0.4267 0.1969  0.0621  -0.0108 794  PRO A CB  \n642  C CG  . PRO A 99  ? 0.5134 0.3906 0.3842 0.1938  0.0618  -0.0094 794  PRO A CG  \n643  C CD  . PRO A 99  ? 0.5407 0.4296 0.4223 0.1780  0.0519  -0.0072 794  PRO A CD  \n644  N N   . PHE A 100 ? 0.4746 0.2930 0.3038 0.1498  0.0527  -0.0181 795  PHE A N   \n645  C CA  . PHE A 100 ? 0.4799 0.2833 0.2954 0.1377  0.0526  -0.0227 795  PHE A CA  \n646  C C   . PHE A 100 ? 0.4928 0.2836 0.3018 0.1205  0.0435  -0.0229 795  PHE A C   \n647  O O   . PHE A 100 ? 0.5099 0.2905 0.3088 0.1094  0.0414  -0.0264 795  PHE A O   \n648  C CB  . PHE A 100 ? 0.4559 0.2868 0.2884 0.1340  0.0564  -0.0238 795  PHE A CB  \n649  C CG  . PHE A 100 ? 0.4875 0.3264 0.3215 0.1486  0.0671  -0.0247 795  PHE A CG  \n650  C CD1 . PHE A 100 ? 0.4740 0.3423 0.3308 0.1597  0.0707  -0.0215 795  PHE A CD1 \n651  C CD2 . PHE A 100 ? 0.5316 0.3497 0.3440 0.1512  0.0736  -0.0291 795  PHE A CD2 \n652  C CE1 . PHE A 100 ? 0.5323 0.4115 0.3926 0.1733  0.0814  -0.0223 795  PHE A CE1 \n653  C CE2 . PHE A 100 ? 0.5819 0.4080 0.3951 0.1652  0.0848  -0.0301 795  PHE A CE2 \n654  C CZ  . PHE A 100 ? 0.5797 0.4372 0.4178 0.1765  0.0891  -0.0265 795  PHE A CZ  \n655  N N   . GLY A 101 ? 0.4772 0.2700 0.2917 0.1185  0.0381  -0.0190 796  GLY A N   \n656  C CA  . GLY A 101 ? 0.4623 0.2439 0.2707 0.1027  0.0305  -0.0188 796  GLY A CA  \n657  C C   . GLY A 101 ? 0.4684 0.2761 0.2962 0.0894  0.0257  -0.0188 796  GLY A C   \n658  O O   . GLY A 101 ? 0.4477 0.2843 0.2964 0.0919  0.0273  -0.0178 796  GLY A O   \n659  N N   . CYS A 102 ? 0.4492 0.2471 0.2705 0.0750  0.0200  -0.0198 797  CYS A N   \n660  C CA  . CYS A 102 ? 0.4456 0.2677 0.2852 0.0637  0.0153  -0.0196 797  CYS A CA  \n661  C C   . CYS A 102 ? 0.4369 0.2642 0.2772 0.0596  0.0159  -0.0230 797  CYS A C   \n662  O O   . CYS A 102 ? 0.4338 0.2414 0.2559 0.0609  0.0181  -0.0262 797  CYS A O   \n663  C CB  . CYS A 102 ? 0.5006 0.3167 0.3374 0.0506  0.0091  -0.0187 797  CYS A CB  \n664  S SG  . CYS A 102 ? 0.6136 0.4020 0.4282 0.0387  0.0057  -0.0228 797  CYS A SG  \n665  N N   . LEU A 103 ? 0.4190 0.2720 0.2792 0.0551  0.0142  -0.0223 798  LEU A N   \n666  C CA  . LEU A 103 ? 0.3996 0.2591 0.2618 0.0523  0.0149  -0.0242 798  LEU A CA  \n667  C C   . LEU A 103 ? 0.3918 0.2376 0.2407 0.0420  0.0095  -0.0267 798  LEU A C   \n668  O O   . LEU A 103 ? 0.4276 0.2667 0.2663 0.0421  0.0108  -0.0287 798  LEU A O   \n669  C CB  . LEU A 103 ? 0.3742 0.2617 0.2599 0.0503  0.0144  -0.0225 798  LEU A CB  \n670  C CG  . LEU A 103 ? 0.3563 0.2515 0.2456 0.0493  0.0168  -0.0231 798  LEU A CG  \n671  C CD1 . LEU A 103 ? 0.4112 0.3001 0.2916 0.0581  0.0248  -0.0238 798  LEU A CD1 \n672  C CD2 . LEU A 103 ? 0.3950 0.3148 0.3071 0.0469  0.0161  -0.0216 798  LEU A CD2 \n673  N N   . LEU A 104 ? 0.4256 0.2675 0.2735 0.0330  0.0035  -0.0264 799  LEU A N   \n674  C CA  . LEU A 104 ? 0.4386 0.2706 0.2759 0.0221  -0.0027 -0.0289 799  LEU A CA  \n675  C C   . LEU A 104 ? 0.4708 0.2741 0.2818 0.0238  -0.0011 -0.0325 799  LEU A C   \n676  O O   . LEU A 104 ? 0.4930 0.2909 0.2938 0.0211  -0.0029 -0.0351 799  LEU A O   \n677  C CB  . LEU A 104 ? 0.4269 0.2602 0.2682 0.0118  -0.0082 -0.0279 799  LEU A CB  \n678  C CG  . LEU A 104 ? 0.4765 0.3032 0.3093 -0.0008 -0.0153 -0.0305 799  LEU A CG  \n679  C CD1 . LEU A 104 ? 0.4450 0.2893 0.2874 -0.0025 -0.0189 -0.0310 799  LEU A CD1 \n680  C CD2 . LEU A 104 ? 0.4683 0.2995 0.3076 -0.0111 -0.0191 -0.0289 799  LEU A CD2 \n681  N N   . ASP A 105 ? 0.4818 0.2653 0.2804 0.0288  0.0023  -0.0326 800  ASP A N   \n682  C CA  . ASP A 105 ? 0.5340 0.2864 0.3052 0.0319  0.0047  -0.0367 800  ASP A CA  \n683  C C   . ASP A 105 ? 0.5217 0.2760 0.2887 0.0424  0.0113  -0.0382 800  ASP A C   \n684  O O   . ASP A 105 ? 0.5469 0.2840 0.2939 0.0413  0.0114  -0.0424 800  ASP A O   \n685  C CB  . ASP A 105 ? 0.5464 0.2774 0.3063 0.0387  0.0085  -0.0356 800  ASP A CB  \n686  C CG  . ASP A 105 ? 0.6914 0.4125 0.4484 0.0268  0.0029  -0.0342 800  ASP A CG  \n687  O OD1 . ASP A 105 ? 0.8059 0.5147 0.5583 0.0322  0.0055  -0.0313 800  ASP A OD1 \n688  O OD2 . ASP A 105 ? 0.8019 0.5284 0.5613 0.0124  -0.0039 -0.0356 800  ASP A OD2 \n689  N N   . TYR A 106 ? 0.5041 0.2798 0.2896 0.0520  0.0168  -0.0349 801  TYR A N   \n690  C CA  . TYR A 106 ? 0.5125 0.2940 0.2974 0.0615  0.0244  -0.0355 801  TYR A CA  \n691  C C   . TYR A 106 ? 0.4934 0.2792 0.2745 0.0547  0.0219  -0.0370 801  TYR A C   \n692  O O   . TYR A 106 ? 0.5197 0.2915 0.2820 0.0585  0.0261  -0.0399 801  TYR A O   \n693  C CB  . TYR A 106 ? 0.4995 0.3076 0.3086 0.0700  0.0296  -0.0316 801  TYR A CB  \n694  C CG  . TYR A 106 ? 0.5256 0.3382 0.3332 0.0808  0.0393  -0.0321 801  TYR A CG  \n695  C CD1 . TYR A 106 ? 0.5333 0.3600 0.3473 0.0779  0.0416  -0.0315 801  TYR A CD1 \n696  C CD2 . TYR A 106 ? 0.5368 0.3390 0.3359 0.0942  0.0467  -0.0329 801  TYR A CD2 \n697  C CE1 . TYR A 106 ? 0.5241 0.3556 0.3366 0.0866  0.0514  -0.0315 801  TYR A CE1 \n698  C CE2 . TYR A 106 ? 0.5463 0.3550 0.3451 0.1043  0.0565  -0.0334 801  TYR A CE2 \n699  C CZ  . TYR A 106 ? 0.5565 0.3802 0.3619 0.0998  0.0592  -0.0327 801  TYR A CZ  \n700  O OH  . TYR A 106 ? 0.5955 0.4262 0.4003 0.1089  0.0700  -0.0328 801  TYR A OH  \n701  N N   . VAL A 107 ? 0.4880 0.2918 0.2848 0.0454  0.0152  -0.0349 802  VAL A N   \n702  C CA  . VAL A 107 ? 0.5014 0.3089 0.2942 0.0401  0.0120  -0.0354 802  VAL A CA  \n703  C C   . VAL A 107 ? 0.5540 0.3396 0.3224 0.0328  0.0057  -0.0396 802  VAL A C   \n704  O O   . VAL A 107 ? 0.5752 0.3547 0.3295 0.0325  0.0055  -0.0411 802  VAL A O   \n705  C CB  . VAL A 107 ? 0.4739 0.3064 0.2898 0.0341  0.0069  -0.0319 802  VAL A CB  \n706  C CG1 . VAL A 107 ? 0.4716 0.3242 0.3090 0.0405  0.0133  -0.0287 802  VAL A CG1 \n707  C CG2 . VAL A 107 ? 0.4598 0.2960 0.2830 0.0247  -0.0017 -0.0320 802  VAL A CG2 \n708  N N   . ARG A 108 ? 0.5527 0.3255 0.3149 0.0264  0.0005  -0.0416 803  ARG A N   \n709  C CA  . ARG A 108 ? 0.5859 0.3365 0.3244 0.0178  -0.0059 -0.0465 803  ARG A CA  \n710  C C   . ARG A 108 ? 0.6340 0.3573 0.3445 0.0255  0.0006  -0.0510 803  ARG A C   \n711  O O   . ARG A 108 ? 0.6419 0.3506 0.3308 0.0214  -0.0028 -0.0552 803  ARG A O   \n712  C CB  . ARG A 108 ? 0.5811 0.3240 0.3202 0.0080  -0.0117 -0.0472 803  ARG A CB  \n713  C CG  . ARG A 108 ? 0.5726 0.3414 0.3357 -0.0014 -0.0190 -0.0439 803  ARG A CG  \n714  C CD  . ARG A 108 ? 0.5931 0.3539 0.3562 -0.0108 -0.0226 -0.0440 803  ARG A CD  \n715  N NE  . ARG A 108 ? 0.5379 0.3233 0.3219 -0.0209 -0.0294 -0.0417 803  ARG A NE  \n716  C CZ  . ARG A 108 ? 0.5470 0.3342 0.3374 -0.0300 -0.0320 -0.0404 803  ARG A CZ  \n717  N NH1 . ARG A 108 ? 0.6037 0.3668 0.3801 -0.0307 -0.0287 -0.0408 803  ARG A NH1 \n718  N NH2 . ARG A 108 ? 0.5094 0.3217 0.3196 -0.0381 -0.0374 -0.0385 803  ARG A NH2 \n719  N N   . GLU A 109 ? 0.6156 0.3327 0.3262 0.0373  0.0099  -0.0503 804  GLU A N   \n720  C CA  . GLU A 109 ? 0.6828 0.3729 0.3671 0.0467  0.0174  -0.0548 804  GLU A CA  \n721  C C   . GLU A 109 ? 0.6610 0.3578 0.3408 0.0555  0.0253  -0.0549 804  GLU A C   \n722  O O   . GLU A 109 ? 0.7037 0.3781 0.3566 0.0594  0.0292  -0.0598 804  GLU A O   \n723  C CB  . GLU A 109 ? 0.7160 0.3956 0.4010 0.0572  0.0241  -0.0539 804  GLU A CB  \n724  C CG  . GLU A 109 ? 0.8069 0.4673 0.4845 0.0485  0.0177  -0.0549 804  GLU A CG  \n725  C CD  . GLU A 109 ? 0.9492 0.5795 0.5977 0.0375  0.0116  -0.0616 804  GLU A CD  \n726  O OE1 . GLU A 109 ? 0.9906 0.6207 0.6413 0.0222  0.0022  -0.0619 804  GLU A OE1 \n727  O OE2 . GLU A 109 ? 0.9113 0.5192 0.5346 0.0438  0.0164  -0.0669 804  GLU A OE2 \n728  N N   . HIS A 110 ? 0.6017 0.3281 0.3064 0.0577  0.0278  -0.0495 805  HIS A N   \n729  C CA  . HIS A 110 ? 0.6253 0.3607 0.3289 0.0654  0.0366  -0.0482 805  HIS A CA  \n730  C C   . HIS A 110 ? 0.6126 0.3616 0.3204 0.0576  0.0315  -0.0456 805  HIS A C   \n731  O O   . HIS A 110 ? 0.6292 0.3921 0.3442 0.0620  0.0385  -0.0422 805  HIS A O   \n732  C CB  . HIS A 110 ? 0.5861 0.3432 0.3137 0.0756  0.0458  -0.0440 805  HIS A CB  \n733  C CG  . HIS A 110 ? 0.6335 0.3784 0.3565 0.0863  0.0515  -0.0457 805  HIS A CG  \n734  N ND1 . HIS A 110 ? 0.6755 0.4190 0.4077 0.0849  0.0465  -0.0445 805  HIS A ND1 \n735  C CD2 . HIS A 110 ? 0.7038 0.4359 0.4124 0.0994  0.0620  -0.0483 805  HIS A CD2 \n736  C CE1 . HIS A 110 ? 0.7108 0.4403 0.4342 0.0970  0.0531  -0.0459 805  HIS A CE1 \n737  N NE2 . HIS A 110 ? 0.7212 0.4444 0.4312 0.1065  0.0626  -0.0485 805  HIS A NE2 \n738  N N   . LYS A 111 ? 0.6566 0.4011 0.3590 0.0461  0.0196  -0.0469 806  LYS A N   \n739  C CA  . LYS A 111 ? 0.6827 0.4405 0.3900 0.0394  0.0129  -0.0440 806  LYS A CA  \n740  C C   . LYS A 111 ? 0.7334 0.4859 0.4226 0.0435  0.0182  -0.0434 806  LYS A C   \n741  O O   . LYS A 111 ? 0.7495 0.5159 0.4469 0.0414  0.0162  -0.0388 806  LYS A O   \n742  C CB  . LYS A 111 ? 0.7032 0.4557 0.4043 0.0273  -0.0010 -0.0465 806  LYS A CB  \n743  C CG  . LYS A 111 ? 0.8756 0.5990 0.5449 0.0237  -0.0043 -0.0536 806  LYS A CG  \n744  C CD  . LYS A 111 ? 1.0021 0.7245 0.6604 0.0126  -0.0176 -0.0554 806  LYS A CD  \n745  C CE  . LYS A 111 ? 1.0186 0.7594 0.6999 0.0021  -0.0283 -0.0534 806  LYS A CE  \n746  N NZ  . LYS A 111 ? 1.0843 0.8134 0.7656 -0.0039 -0.0300 -0.0568 806  LYS A NZ  \n747  N N   . ASP A 112 ? 0.7377 0.4688 0.4012 0.0497  0.0253  -0.0480 807  ASP A N   \n748  C CA  . ASP A 112 ? 0.7818 0.5058 0.4243 0.0539  0.0316  -0.0478 807  ASP A CA  \n749  C C   . ASP A 112 ? 0.7566 0.4933 0.4099 0.0641  0.0468  -0.0439 807  ASP A C   \n750  O O   . ASP A 112 ? 0.7830 0.5174 0.4221 0.0672  0.0537  -0.0422 807  ASP A O   \n751  C CB  . ASP A 112 ? 0.8545 0.5476 0.4599 0.0549  0.0317  -0.0556 807  ASP A CB  \n752  C CG  . ASP A 112 ? 0.9402 0.6213 0.5327 0.0427  0.0160  -0.0599 807  ASP A CG  \n753  O OD1 . ASP A 112 ? 0.9102 0.6069 0.5146 0.0346  0.0055  -0.0561 807  ASP A OD1 \n754  O OD2 . ASP A 112 ? 1.0162 0.6721 0.5864 0.0413  0.0144  -0.0671 807  ASP A OD2 \n755  N N   . ASN A 113 ? 0.7276 0.4786 0.4058 0.0688  0.0519  -0.0421 808  ASN A N   \n756  C CA  . ASN A 113 ? 0.6907 0.4585 0.3839 0.0773  0.0655  -0.0385 808  ASN A CA  \n757  C C   . ASN A 113 ? 0.6420 0.4381 0.3709 0.0750  0.0650  -0.0328 808  ASN A C   \n758  O O   . ASN A 113 ? 0.6508 0.4631 0.3960 0.0814  0.0752  -0.0305 808  ASN A O   \n759  C CB  . ASN A 113 ? 0.7212 0.4790 0.4063 0.0892  0.0757  -0.0426 808  ASN A CB  \n760  C CG  . ASN A 113 ? 0.8221 0.5584 0.4741 0.0950  0.0835  -0.0468 808  ASN A CG  \n761  O OD1 . ASN A 113 ? 0.8572 0.6013 0.5059 0.0984  0.0935  -0.0441 808  ASN A OD1 \n762  N ND2 . ASN A 113 ? 0.9073 0.6153 0.5329 0.0954  0.0792  -0.0537 808  ASN A ND2 \n763  N N   . ILE A 114 ? 0.6213 0.4242 0.3623 0.0658  0.0533  -0.0310 809  ILE A N   \n764  C CA  . ILE A 114 ? 0.5573 0.3849 0.3296 0.0630  0.0524  -0.0264 809  ILE A CA  \n765  C C   . ILE A 114 ? 0.5764 0.4116 0.3514 0.0581  0.0520  -0.0215 809  ILE A C   \n766  O O   . ILE A 114 ? 0.6081 0.4358 0.3726 0.0524  0.0429  -0.0210 809  ILE A O   \n767  C CB  . ILE A 114 ? 0.5291 0.3608 0.3149 0.0575  0.0415  -0.0274 809  ILE A CB  \n768  C CG1 . ILE A 114 ? 0.5257 0.3507 0.3112 0.0630  0.0433  -0.0306 809  ILE A CG1 \n769  C CG2 . ILE A 114 ? 0.5196 0.3748 0.3341 0.0538  0.0397  -0.0232 809  ILE A CG2 \n770  C CD1 . ILE A 114 ? 0.5626 0.3847 0.3529 0.0565  0.0328  -0.0320 809  ILE A CD1 \n771  N N   . GLY A 115 ? 0.5465 0.3965 0.3353 0.0603  0.0619  -0.0178 810  GLY A N   \n772  C CA  . GLY A 115 ? 0.5412 0.3963 0.3323 0.0557  0.0633  -0.0124 810  GLY A CA  \n773  C C   . GLY A 115 ? 0.5142 0.3855 0.3314 0.0501  0.0579  -0.0094 810  GLY A C   \n774  O O   . GLY A 115 ? 0.5046 0.3857 0.3392 0.0497  0.0535  -0.0116 810  GLY A O   \n775  N N   . SER A 116 ? 0.4949 0.3671 0.3125 0.0460  0.0585  -0.0045 811  SER A N   \n776  C CA  . SER A 116 ? 0.4587 0.3423 0.2976 0.0408  0.0536  -0.0019 811  SER A CA  \n777  C C   . SER A 116 ? 0.4574 0.3603 0.3224 0.0402  0.0593  -0.0024 811  SER A C   \n778  O O   . SER A 116 ? 0.4171 0.3298 0.3002 0.0373  0.0531  -0.0035 811  SER A O   \n779  C CB  . SER A 116 ? 0.4882 0.3649 0.3191 0.0376  0.0544  0.0040  811  SER A CB  \n780  O OG  . SER A 116 ? 0.5246 0.4007 0.3493 0.0381  0.0673  0.0073  811  SER A OG  \n781  N N   . GLN A 117 ? 0.4542 0.3638 0.3210 0.0431  0.0711  -0.0018 812  GLN A N   \n782  C CA  . GLN A 117 ? 0.4686 0.3996 0.3610 0.0423  0.0764  -0.0022 812  GLN A CA  \n783  C C   . GLN A 117 ? 0.4195 0.3587 0.3240 0.0456  0.0700  -0.0065 812  GLN A C   \n784  O O   . GLN A 117 ? 0.4016 0.3551 0.3268 0.0422  0.0665  -0.0072 812  GLN A O   \n785  C CB  . GLN A 117 ? 0.4811 0.4205 0.3738 0.0457  0.0904  -0.0009 812  GLN A CB  \n786  C CG  . GLN A 117 ? 0.5168 0.4818 0.4378 0.0433  0.0957  -0.0006 812  GLN A CG  \n787  C CD  . GLN A 117 ? 0.5409 0.5107 0.4737 0.0328  0.0960  0.0029  812  GLN A CD  \n788  O OE1 . GLN A 117 ? 0.5336 0.4978 0.4582 0.0288  0.1038  0.0072  812  GLN A OE1 \n789  N NE2 . GLN A 117 ? 0.5111 0.4892 0.4613 0.0284  0.0879  0.0010  812  GLN A NE2 \n790  N N   . TYR A 118 ? 0.4075 0.3356 0.2970 0.0519  0.0687  -0.0096 813  TYR A N   \n791  C CA  . TYR A 118 ? 0.4227 0.3543 0.3195 0.0556  0.0633  -0.0130 813  TYR A CA  \n792  C C   . TYR A 118 ? 0.3824 0.3133 0.2855 0.0498  0.0516  -0.0137 813  TYR A C   \n793  O O   . TYR A 118 ? 0.3881 0.3319 0.3085 0.0492  0.0484  -0.0147 813  TYR A O   \n794  C CB  . TYR A 118 ? 0.4783 0.3927 0.3538 0.0628  0.0646  -0.0160 813  TYR A CB  \n795  C CG  . TYR A 118 ? 0.5651 0.4859 0.4414 0.0721  0.0760  -0.0165 813  TYR A CG  \n796  C CD1 . TYR A 118 ? 0.5833 0.5129 0.4705 0.0793  0.0766  -0.0181 813  TYR A CD1 \n797  C CD2 . TYR A 118 ? 0.6391 0.5581 0.5052 0.0743  0.0865  -0.0150 813  TYR A CD2 \n798  C CE1 . TYR A 118 ? 0.6601 0.5977 0.5495 0.0896  0.0871  -0.0184 813  TYR A CE1 \n799  C CE2 . TYR A 118 ? 0.7178 0.6454 0.5862 0.0837  0.0980  -0.0156 813  TYR A CE2 \n800  C CZ  . TYR A 118 ? 0.6961 0.6337 0.5771 0.0918  0.0980  -0.0174 813  TYR A CZ  \n801  O OH  . TYR A 118 ? 0.7117 0.6598 0.5963 0.1027  0.1093  -0.0178 813  TYR A OH  \n802  N N   . LEU A 119 ? 0.3995 0.3167 0.2887 0.0459  0.0454  -0.0133 814  LEU A N   \n803  C CA  . LEU A 119 ? 0.3659 0.2843 0.2618 0.0409  0.0349  -0.0140 814  LEU A CA  \n804  C C   . LEU A 119 ? 0.3571 0.2913 0.2746 0.0370  0.0343  -0.0126 814  LEU A C   \n805  O O   . LEU A 119 ? 0.3336 0.2764 0.2639 0.0355  0.0292  -0.0142 814  LEU A O   \n806  C CB  . LEU A 119 ? 0.3981 0.3028 0.2774 0.0379  0.0281  -0.0132 814  LEU A CB  \n807  C CG  . LEU A 119 ? 0.4208 0.3091 0.2786 0.0395  0.0252  -0.0162 814  LEU A CG  \n808  C CD1 . LEU A 119 ? 0.4625 0.3383 0.3009 0.0375  0.0213  -0.0148 814  LEU A CD1 \n809  C CD2 . LEU A 119 ? 0.4424 0.3310 0.3045 0.0369  0.0174  -0.0191 814  LEU A CD2 \n810  N N   . LEU A 120 ? 0.3652 0.3018 0.2856 0.0350  0.0400  -0.0096 815  LEU A N   \n811  C CA  . LEU A 120 ? 0.3424 0.2905 0.2813 0.0303  0.0395  -0.0088 815  LEU A CA  \n812  C C   . LEU A 120 ? 0.3217 0.2878 0.2794 0.0307  0.0426  -0.0109 815  LEU A C   \n813  O O   . LEU A 120 ? 0.3258 0.3013 0.2976 0.0278  0.0383  -0.0126 815  LEU A O   \n814  C CB  . LEU A 120 ? 0.3688 0.3115 0.3041 0.0269  0.0447  -0.0047 815  LEU A CB  \n815  C CG  . LEU A 120 ? 0.3796 0.3058 0.2975 0.0270  0.0392  -0.0021 815  LEU A CG  \n816  C CD1 . LEU A 120 ? 0.3989 0.3159 0.3071 0.0250  0.0458  0.0030  815  LEU A CD1 \n817  C CD2 . LEU A 120 ? 0.3648 0.2919 0.2904 0.0254  0.0296  -0.0031 815  LEU A CD2 \n818  N N   . ASN A 121 ? 0.3336 0.3051 0.2909 0.0352  0.0499  -0.0109 816  ASN A N   \n819  C CA  . ASN A 121 ? 0.3232 0.3137 0.2983 0.0370  0.0517  -0.0126 816  ASN A CA  \n820  C C   . ASN A 121 ? 0.3025 0.2945 0.2801 0.0397  0.0439  -0.0152 816  ASN A C   \n821  O O   . ASN A 121 ? 0.3060 0.3126 0.2991 0.0382  0.0412  -0.0166 816  ASN A O   \n822  C CB  . ASN A 121 ? 0.3422 0.3391 0.3163 0.0434  0.0609  -0.0120 816  ASN A CB  \n823  C CG  . ASN A 121 ? 0.4205 0.4237 0.3986 0.0394  0.0705  -0.0092 816  ASN A CG  \n824  O OD1 . ASN A 121 ? 0.4735 0.4765 0.4567 0.0312  0.0701  -0.0076 816  ASN A OD1 \n825  N ND2 . ASN A 121 ? 0.4711 0.4792 0.4462 0.0455  0.0798  -0.0084 816  ASN A ND2 \n826  N N   . TRP A 122 ? 0.3269 0.3032 0.2880 0.0431  0.0404  -0.0159 817  TRP A N   \n827  C CA  . TRP A 122 ? 0.3161 0.2913 0.2777 0.0441  0.0333  -0.0177 817  TRP A CA  \n828  C C   . TRP A 122 ? 0.2883 0.2690 0.2597 0.0377  0.0266  -0.0184 817  TRP A C   \n829  O O   . TRP A 122 ? 0.2902 0.2803 0.2712 0.0375  0.0230  -0.0197 817  TRP A O   \n830  C CB  . TRP A 122 ? 0.3425 0.2980 0.2840 0.0462  0.0305  -0.0184 817  TRP A CB  \n831  C CG  . TRP A 122 ? 0.3492 0.2964 0.2788 0.0541  0.0369  -0.0188 817  TRP A CG  \n832  C CD1 . TRP A 122 ? 0.3883 0.3464 0.3259 0.0614  0.0431  -0.0184 817  TRP A CD1 \n833  C CD2 . TRP A 122 ? 0.3534 0.2792 0.2601 0.0561  0.0374  -0.0199 817  TRP A CD2 \n834  N NE1 . TRP A 122 ? 0.4017 0.3458 0.3226 0.0690  0.0484  -0.0193 817  TRP A NE1 \n835  C CE2 . TRP A 122 ? 0.3891 0.3120 0.2898 0.0654  0.0450  -0.0205 817  TRP A CE2 \n836  C CE3 . TRP A 122 ? 0.4142 0.3240 0.3049 0.0511  0.0317  -0.0209 817  TRP A CE3 \n837  C CZ2 . TRP A 122 ? 0.4241 0.3253 0.3011 0.0697  0.0477  -0.0225 817  TRP A CZ2 \n838  C CZ3 . TRP A 122 ? 0.4282 0.3178 0.2958 0.0541  0.0334  -0.0228 817  TRP A CZ3 \n839  C CH2 . TRP A 122 ? 0.4396 0.3237 0.2997 0.0633  0.0416  -0.0239 817  TRP A CH2 \n840  N N   . CYS A 123 ? 0.2994 0.2737 0.2673 0.0333  0.0250  -0.0175 818  CYS A N   \n841  C CA  . CYS A 123 ? 0.3038 0.2833 0.2814 0.0285  0.0196  -0.0185 818  CYS A CA  \n842  C C   . CYS A 123 ? 0.2864 0.2812 0.2812 0.0262  0.0214  -0.0198 818  CYS A C   \n843  O O   . CYS A 123 ? 0.2779 0.2800 0.2808 0.0245  0.0169  -0.0220 818  CYS A O   \n844  C CB  . CYS A 123 ? 0.3299 0.2996 0.3008 0.0260  0.0179  -0.0168 818  CYS A CB  \n845  S SG  . CYS A 123 ? 0.3479 0.3027 0.2999 0.0271  0.0124  -0.0161 818  CYS A SG  \n846  N N   . VAL A 124 ? 0.2622 0.2624 0.2620 0.0256  0.0279  -0.0187 819  VAL A N   \n847  C CA  . VAL A 124 ? 0.2723 0.2885 0.2888 0.0220  0.0295  -0.0204 819  VAL A CA  \n848  C C   . VAL A 124 ? 0.2494 0.2791 0.2735 0.0255  0.0268  -0.0224 819  VAL A C   \n849  O O   . VAL A 124 ? 0.2513 0.2904 0.2849 0.0227  0.0228  -0.0250 819  VAL A O   \n850  C CB  . VAL A 124 ? 0.2944 0.3162 0.3154 0.0202  0.0377  -0.0185 819  VAL A CB  \n851  C CG1 . VAL A 124 ? 0.3255 0.3667 0.3651 0.0155  0.0386  -0.0208 819  VAL A CG1 \n852  C CG2 . VAL A 124 ? 0.3110 0.3182 0.3234 0.0160  0.0406  -0.0158 819  VAL A CG2 \n853  N N   . GLN A 125 ? 0.2500 0.2787 0.2680 0.0323  0.0291  -0.0210 820  GLN A N   \n854  C CA  . GLN A 125 ? 0.2243 0.2642 0.2477 0.0377  0.0271  -0.0217 820  GLN A CA  \n855  C C   . GLN A 125 ? 0.2395 0.2758 0.2597 0.0370  0.0199  -0.0229 820  GLN A C   \n856  O O   . GLN A 125 ? 0.2328 0.2819 0.2617 0.0373  0.0166  -0.0242 820  GLN A O   \n857  C CB  . GLN A 125 ? 0.2449 0.2785 0.2585 0.0463  0.0314  -0.0198 820  GLN A CB  \n858  C CG  . GLN A 125 ? 0.2484 0.2918 0.2682 0.0484  0.0399  -0.0186 820  GLN A CG  \n859  C CD  . GLN A 125 ? 0.3189 0.3540 0.3269 0.0581  0.0450  -0.0174 820  GLN A CD  \n860  O OE1 . GLN A 125 ? 0.3948 0.4232 0.3954 0.0649  0.0421  -0.0175 820  GLN A OE1 \n861  N NE2 . GLN A 125 ? 0.3929 0.4278 0.3983 0.0592  0.0534  -0.0163 820  GLN A NE2 \n862  N N   . ILE A 126 ? 0.2310 0.2512 0.2389 0.0357  0.0174  -0.0225 821  ILE A N   \n863  C CA  . ILE A 126 ? 0.2242 0.2419 0.2296 0.0340  0.0114  -0.0234 821  ILE A CA  \n864  C C   . ILE A 126 ? 0.2310 0.2594 0.2479 0.0287  0.0088  -0.0260 821  ILE A C   \n865  O O   . ILE A 126 ? 0.2304 0.2663 0.2510 0.0283  0.0054  -0.0273 821  ILE A O   \n866  C CB  . ILE A 126 ? 0.2880 0.2894 0.2799 0.0325  0.0092  -0.0227 821  ILE A CB  \n867  C CG1 . ILE A 126 ? 0.2742 0.2629 0.2525 0.0377  0.0117  -0.0211 821  ILE A CG1 \n868  C CG2 . ILE A 126 ? 0.2625 0.2646 0.2543 0.0294  0.0039  -0.0234 821  ILE A CG2 \n869  C CD1 . ILE A 126 ? 0.2926 0.2647 0.2565 0.0352  0.0098  -0.0210 821  ILE A CD1 \n870  N N   . ALA A 127 ? 0.2315 0.2588 0.2524 0.0248  0.0106  -0.0267 822  ALA A N   \n871  C CA  . ALA A 127 ? 0.2254 0.2592 0.2554 0.0200  0.0087  -0.0299 822  ALA A CA  \n872  C C   . ALA A 127 ? 0.2404 0.2902 0.2817 0.0188  0.0085  -0.0322 822  ALA A C   \n873  O O   . ALA A 127 ? 0.2465 0.3024 0.2921 0.0164  0.0051  -0.0355 822  ALA A O   \n874  C CB  . ALA A 127 ? 0.2380 0.2637 0.2680 0.0166  0.0110  -0.0296 822  ALA A CB  \n875  N N   . LYS A 128 ? 0.2332 0.2909 0.2792 0.0206  0.0122  -0.0308 823  LYS A N   \n876  C CA  . LYS A 128 ? 0.2295 0.3063 0.2878 0.0200  0.0113  -0.0326 823  LYS A CA  \n877  C C   . LYS A 128 ? 0.1810 0.2635 0.2366 0.0247  0.0064  -0.0327 823  LYS A C   \n878  O O   . LYS A 128 ? 0.2017 0.2954 0.2632 0.0223  0.0023  -0.0357 823  LYS A O   \n879  C CB  . LYS A 128 ? 0.2443 0.3304 0.3089 0.0222  0.0168  -0.0304 823  LYS A CB  \n880  C CG  . LYS A 128 ? 0.2473 0.3315 0.3168 0.0151  0.0221  -0.0305 823  LYS A CG  \n881  C CD  . LYS A 128 ? 0.3072 0.4052 0.3854 0.0166  0.0285  -0.0285 823  LYS A CD  \n882  C CE  . LYS A 128 ? 0.3182 0.4137 0.4006 0.0078  0.0342  -0.0281 823  LYS A CE  \n883  N NZ  . LYS A 128 ? 0.4008 0.5109 0.4917 0.0089  0.0420  -0.0256 823  LYS A NZ  \n884  N N   . GLY A 129 ? 0.2195 0.2923 0.2644 0.0310  0.0066  -0.0294 824  GLY A N   \n885  C CA  . GLY A 129 ? 0.2419 0.3163 0.2816 0.0355  0.0025  -0.0283 824  GLY A CA  \n886  C C   . GLY A 129 ? 0.1934 0.2661 0.2305 0.0309  -0.0016 -0.0307 824  GLY A C   \n887  O O   . GLY A 129 ? 0.2104 0.2927 0.2489 0.0316  -0.0053 -0.0316 824  GLY A O   \n888  N N   . MET A 130 ? 0.2234 0.2845 0.2562 0.0270  -0.0009 -0.0314 825  MET A N   \n889  C CA  . MET A 130 ? 0.2139 0.2745 0.2454 0.0234  -0.0036 -0.0339 825  MET A CA  \n890  C C   . MET A 130 ? 0.1991 0.2700 0.2393 0.0193  -0.0049 -0.0388 825  MET A C   \n891  O O   . MET A 130 ? 0.2226 0.2983 0.2614 0.0183  -0.0075 -0.0412 825  MET A O   \n892  C CB  . MET A 130 ? 0.2218 0.2703 0.2487 0.0213  -0.0028 -0.0335 825  MET A CB  \n893  C CG  . MET A 130 ? 0.2391 0.2761 0.2553 0.0233  -0.0028 -0.0296 825  MET A CG  \n894  S SD  . MET A 130 ? 0.2739 0.3107 0.2822 0.0245  -0.0051 -0.0275 825  MET A SD  \n895  C CE  . MET A 130 ? 0.3498 0.3907 0.3605 0.0194  -0.0066 -0.0300 825  MET A CE  \n896  N N   . ASN A 131 ? 0.2086 0.2818 0.2565 0.0164  -0.0028 -0.0405 826  ASN A N   \n897  C CA  . ASN A 131 ? 0.2311 0.3133 0.2868 0.0114  -0.0042 -0.0457 826  ASN A CA  \n898  C C   . ASN A 131 ? 0.2218 0.3199 0.2806 0.0125  -0.0080 -0.0470 826  ASN A C   \n899  O O   . ASN A 131 ? 0.2256 0.3291 0.2847 0.0094  -0.0111 -0.0516 826  ASN A O   \n900  C CB  . ASN A 131 ? 0.2148 0.2962 0.2780 0.0067  -0.0008 -0.0466 826  ASN A CB  \n901  C CG  . ASN A 131 ? 0.2895 0.3767 0.3594 -0.0004 -0.0024 -0.0528 826  ASN A CG  \n902  O OD1 . ASN A 131 ? 0.3337 0.4133 0.4000 -0.0025 -0.0035 -0.0568 826  ASN A OD1 \n903  N ND2 . ASN A 131 ? 0.2903 0.3917 0.3702 -0.0041 -0.0024 -0.0539 826  ASN A ND2 \n904  N N   . TYR A 132 ? 0.2027 0.3078 0.2628 0.0178  -0.0079 -0.0429 827  TYR A N   \n905  C CA  . TYR A 132 ? 0.2175 0.3382 0.2800 0.0210  -0.0123 -0.0428 827  TYR A CA  \n906  C C   . TYR A 132 ? 0.2156 0.3328 0.2668 0.0233  -0.0158 -0.0423 827  TYR A C   \n907  O O   . TYR A 132 ? 0.2120 0.3401 0.2632 0.0221  -0.0203 -0.0452 827  TYR A O   \n908  C CB  . TYR A 132 ? 0.2130 0.3399 0.2782 0.0284  -0.0107 -0.0378 827  TYR A CB  \n909  C CG  . TYR A 132 ? 0.1812 0.3244 0.2484 0.0335  -0.0160 -0.0368 827  TYR A CG  \n910  C CD1 . TYR A 132 ? 0.2133 0.3787 0.2943 0.0309  -0.0189 -0.0397 827  TYR A CD1 \n911  C CD2 . TYR A 132 ? 0.1966 0.3333 0.2515 0.0408  -0.0183 -0.0326 827  TYR A CD2 \n912  C CE1 . TYR A 132 ? 0.2661 0.4480 0.3486 0.0365  -0.0249 -0.0385 827  TYR A CE1 \n913  C CE2 . TYR A 132 ? 0.2443 0.3944 0.2989 0.0466  -0.0235 -0.0308 827  TYR A CE2 \n914  C CZ  . TYR A 132 ? 0.2155 0.3892 0.2842 0.0450  -0.0272 -0.0337 827  TYR A CZ  \n915  O OH  . TYR A 132 ? 0.2523 0.4410 0.3205 0.0516  -0.0336 -0.0316 827  TYR A OH  \n916  N N   . LEU A 133 ? 0.1904 0.2928 0.2316 0.0258  -0.0137 -0.0387 828  LEU A N   \n917  C CA  . LEU A 133 ? 0.2606 0.3586 0.2910 0.0265  -0.0156 -0.0378 828  LEU A CA  \n918  C C   . LEU A 133 ? 0.2685 0.3686 0.2993 0.0209  -0.0163 -0.0436 828  LEU A C   \n919  O O   . LEU A 133 ? 0.2383 0.3437 0.2632 0.0210  -0.0189 -0.0448 828  LEU A O   \n920  C CB  . LEU A 133 ? 0.2604 0.3428 0.2813 0.0283  -0.0131 -0.0331 828  LEU A CB  \n921  C CG  . LEU A 133 ? 0.2442 0.3202 0.2596 0.0349  -0.0123 -0.0275 828  LEU A CG  \n922  C CD1 . LEU A 133 ? 0.3222 0.3807 0.3270 0.0340  -0.0102 -0.0243 828  LEU A CD1 \n923  C CD2 . LEU A 133 ? 0.2667 0.3493 0.2771 0.0407  -0.0157 -0.0244 828  LEU A CD2 \n924  N N   . GLU A 134 ? 0.2121 0.3077 0.2489 0.0168  -0.0139 -0.0473 829  GLU A N   \n925  C CA  . GLU A 134 ? 0.2341 0.3304 0.2715 0.0126  -0.0142 -0.0536 829  GLU A CA  \n926  C C   . GLU A 134 ? 0.2536 0.3622 0.2940 0.0098  -0.0180 -0.0589 829  GLU A C   \n927  O O   . GLU A 134 ? 0.2801 0.3914 0.3148 0.0085  -0.0197 -0.0633 829  GLU A O   \n928  C CB  . GLU A 134 ? 0.2291 0.3154 0.2711 0.0100  -0.0110 -0.0558 829  GLU A CB  \n929  C CG  . GLU A 134 ? 0.2589 0.3430 0.3003 0.0072  -0.0107 -0.0626 829  GLU A CG  \n930  C CD  . GLU A 134 ? 0.2865 0.3584 0.3294 0.0074  -0.0076 -0.0631 829  GLU A CD  \n931  O OE1 . GLU A 134 ? 0.2838 0.3494 0.3285 0.0085  -0.0061 -0.0585 829  GLU A OE1 \n932  O OE2 . GLU A 134 ? 0.3189 0.3872 0.3603 0.0072  -0.0067 -0.0684 829  GLU A OE2 \n933  N N   . ASP A 135 ? 0.2647 0.3820 0.3138 0.0087  -0.0194 -0.0586 830  ASP A N   \n934  C CA  . ASP A 135 ? 0.2683 0.4007 0.3213 0.0055  -0.0243 -0.0632 830  ASP A CA  \n935  C C   . ASP A 135 ? 0.2721 0.4136 0.3167 0.0102  -0.0290 -0.0612 830  ASP A C   \n936  O O   . ASP A 135 ? 0.2797 0.4309 0.3220 0.0074  -0.0338 -0.0662 830  ASP A O   \n937  C CB  . ASP A 135 ? 0.2668 0.4105 0.3331 0.0035  -0.0247 -0.0625 830  ASP A CB  \n938  C CG  . ASP A 135 ? 0.3220 0.4581 0.3957 -0.0040 -0.0208 -0.0661 830  ASP A CG  \n939  O OD1 . ASP A 135 ? 0.4083 0.5498 0.4919 -0.0056 -0.0184 -0.0638 830  ASP A OD1 \n940  O OD2 . ASP A 135 ? 0.3927 0.5172 0.4617 -0.0080 -0.0198 -0.0712 830  ASP A OD2 \n941  N N   . ARG A 136 ? 0.2623 0.3989 0.3004 0.0169  -0.0279 -0.0539 831  ARG A N   \n942  C CA  . ARG A 136 ? 0.2599 0.4012 0.2872 0.0221  -0.0316 -0.0503 831  ARG A CA  \n943  C C   . ARG A 136 ? 0.2785 0.4106 0.2931 0.0208  -0.0297 -0.0511 831  ARG A C   \n944  O O   . ARG A 136 ? 0.3274 0.4600 0.3305 0.0243  -0.0315 -0.0473 831  ARG A O   \n945  C CB  . ARG A 136 ? 0.2505 0.3875 0.2749 0.0299  -0.0307 -0.0417 831  ARG A CB  \n946  C CG  . ARG A 136 ? 0.2837 0.4321 0.3199 0.0339  -0.0319 -0.0397 831  ARG A CG  \n947  C CD  . ARG A 136 ? 0.3689 0.5371 0.4078 0.0370  -0.0390 -0.0401 831  ARG A CD  \n948  N NE  . ARG A 136 ? 0.3224 0.5042 0.3694 0.0286  -0.0426 -0.0482 831  ARG A NE  \n949  C CZ  . ARG A 136 ? 0.4035 0.5916 0.4650 0.0217  -0.0410 -0.0530 831  ARG A CZ  \n950  N NH1 . ARG A 136 ? 0.3256 0.5240 0.3919 0.0134  -0.0450 -0.0606 831  ARG A NH1 \n951  N NH2 . ARG A 136 ? 0.3657 0.5486 0.4354 0.0225  -0.0353 -0.0503 831  ARG A NH2 \n952  N N   . ARG A 137 ? 0.2615 0.3854 0.2780 0.0164  -0.0257 -0.0555 832  ARG A N   \n953  C CA  . ARG A 137 ? 0.2699 0.3873 0.2771 0.0155  -0.0225 -0.0566 832  ARG A CA  \n954  C C   . ARG A 137 ? 0.3008 0.4111 0.2996 0.0189  -0.0204 -0.0484 832  ARG A C   \n955  O O   . ARG A 137 ? 0.4011 0.5112 0.3891 0.0190  -0.0194 -0.0469 832  ARG A O   \n956  C CB  . ARG A 137 ? 0.3175 0.4426 0.3163 0.0139  -0.0253 -0.0622 832  ARG A CB  \n957  C CG  . ARG A 137 ? 0.3320 0.4635 0.3373 0.0094  -0.0288 -0.0707 832  ARG A CG  \n958  C CD  . ARG A 137 ? 0.4721 0.6098 0.4664 0.0076  -0.0319 -0.0772 832  ARG A CD  \n959  N NE  . ARG A 137 ? 0.5192 0.6493 0.5043 0.0079  -0.0265 -0.0798 832  ARG A NE  \n960  C CZ  . ARG A 137 ? 0.6048 0.7378 0.5769 0.0074  -0.0270 -0.0848 832  ARG A CZ  \n961  N NH1 . ARG A 137 ? 0.5422 0.6697 0.5079 0.0085  -0.0206 -0.0868 832  ARG A NH1 \n962  N NH2 . ARG A 137 ? 0.6323 0.7748 0.5977 0.0062  -0.0338 -0.0879 832  ARG A NH2 \n963  N N   . LEU A 138 ? 0.2812 0.3849 0.2840 0.0210  -0.0192 -0.0433 833  LEU A N   \n964  C CA  . LEU A 138 ? 0.3014 0.3952 0.2957 0.0232  -0.0174 -0.0360 833  LEU A CA  \n965  C C   . LEU A 138 ? 0.3114 0.3955 0.3096 0.0206  -0.0136 -0.0354 833  LEU A C   \n966  O O   . LEU A 138 ? 0.3331 0.4136 0.3384 0.0212  -0.0131 -0.0355 833  LEU A O   \n967  C CB  . LEU A 138 ? 0.3191 0.4118 0.3122 0.0290  -0.0198 -0.0307 833  LEU A CB  \n968  C CG  . LEU A 138 ? 0.4621 0.5430 0.4425 0.0330  -0.0192 -0.0228 833  LEU A CG  \n969  C CD1 . LEU A 138 ? 0.5195 0.6039 0.4998 0.0410  -0.0225 -0.0191 833  LEU A CD1 \n970  C CD2 . LEU A 138 ? 0.4957 0.5613 0.4744 0.0307  -0.0154 -0.0202 833  LEU A CD2 \n971  N N   . VAL A 139 ? 0.2455 0.3266 0.2387 0.0177  -0.0109 -0.0345 834  VAL A N   \n972  C CA  . VAL A 139 ? 0.2410 0.3151 0.2378 0.0150  -0.0083 -0.0335 834  VAL A CA  \n973  C C   . VAL A 139 ? 0.2408 0.3030 0.2299 0.0152  -0.0081 -0.0269 834  VAL A C   \n974  O O   . VAL A 139 ? 0.2725 0.3308 0.2509 0.0153  -0.0080 -0.0225 834  VAL A O   \n975  C CB  . VAL A 139 ? 0.2393 0.3188 0.2367 0.0116  -0.0053 -0.0358 834  VAL A CB  \n976  C CG1 . VAL A 139 ? 0.2752 0.3509 0.2779 0.0089  -0.0037 -0.0346 834  VAL A CG1 \n977  C CG2 . VAL A 139 ? 0.2771 0.3652 0.2798 0.0123  -0.0050 -0.0433 834  VAL A CG2 \n978  N N   . HIS A 140 ? 0.2510 0.3057 0.2436 0.0154  -0.0080 -0.0263 835  HIS A N   \n979  C CA  . HIS A 140 ? 0.2773 0.3178 0.2610 0.0162  -0.0080 -0.0211 835  HIS A CA  \n980  C C   . HIS A 140 ? 0.3095 0.3437 0.2862 0.0101  -0.0066 -0.0182 835  HIS A C   \n981  O O   . HIS A 140 ? 0.3254 0.3502 0.2902 0.0095  -0.0062 -0.0135 835  HIS A O   \n982  C CB  . HIS A 140 ? 0.2735 0.3076 0.2614 0.0176  -0.0080 -0.0220 835  HIS A CB  \n983  C CG  . HIS A 140 ? 0.2440 0.2624 0.2214 0.0199  -0.0077 -0.0180 835  HIS A CG  \n984  N ND1 . HIS A 140 ? 0.2886 0.2944 0.2551 0.0160  -0.0074 -0.0148 835  HIS A ND1 \n985  C CD2 . HIS A 140 ? 0.2890 0.3018 0.2646 0.0260  -0.0072 -0.0170 835  HIS A CD2 \n986  C CE1 . HIS A 140 ? 0.2869 0.2772 0.2439 0.0196  -0.0070 -0.0123 835  HIS A CE1 \n987  N NE2 . HIS A 140 ? 0.3062 0.3012 0.2686 0.0266  -0.0066 -0.0136 835  HIS A NE2 \n988  N N   . ARG A 141 ? 0.2483 0.2881 0.2327 0.0056  -0.0060 -0.0208 836  ARG A N   \n989  C CA  . ARG A 141 ? 0.2747 0.3145 0.2577 -0.0016 -0.0047 -0.0191 836  ARG A CA  \n990  C C   . ARG A 141 ? 0.3015 0.3265 0.2777 -0.0057 -0.0059 -0.0163 836  ARG A C   \n991  O O   . ARG A 141 ? 0.3408 0.3673 0.3177 -0.0130 -0.0057 -0.0153 836  ARG A O   \n992  C CB  . ARG A 141 ? 0.3152 0.3579 0.2907 -0.0046 -0.0023 -0.0162 836  ARG A CB  \n993  C CG  . ARG A 141 ? 0.3186 0.3764 0.2992 -0.0019 -0.0010 -0.0200 836  ARG A CG  \n994  C CD  . ARG A 141 ? 0.4302 0.4911 0.4016 -0.0051 0.0020  -0.0170 836  ARG A CD  \n995  N NE  . ARG A 141 ? 0.4263 0.5009 0.4007 -0.0021 0.0033  -0.0216 836  ARG A NE  \n996  C CZ  . ARG A 141 ? 0.4509 0.5271 0.4217 0.0032  0.0009  -0.0235 836  ARG A CZ  \n997  N NH1 . ARG A 141 ? 0.4396 0.5071 0.4055 0.0074  -0.0027 -0.0207 836  ARG A NH1 \n998  N NH2 . ARG A 141 ? 0.4539 0.5414 0.4261 0.0046  0.0021  -0.0287 836  ARG A NH2 \n999  N N   . ASP A 142 ? 0.3145 0.3263 0.2844 -0.0011 -0.0071 -0.0153 837  ASP A N   \n1000 C CA  . ASP A 142 ? 0.3100 0.3048 0.2706 -0.0043 -0.0082 -0.0136 837  ASP A CA  \n1001 C C   . ASP A 142 ? 0.3506 0.3375 0.3103 0.0018  -0.0090 -0.0151 837  ASP A C   \n1002 O O   . ASP A 142 ? 0.3438 0.3134 0.2916 0.0037  -0.0088 -0.0135 837  ASP A O   \n1003 C CB  . ASP A 142 ? 0.3538 0.3320 0.2987 -0.0065 -0.0071 -0.0089 837  ASP A CB  \n1004 C CG  . ASP A 142 ? 0.4374 0.3968 0.3713 -0.0132 -0.0082 -0.0078 837  ASP A CG  \n1005 O OD1 . ASP A 142 ? 0.5058 0.4454 0.4241 -0.0132 -0.0072 -0.0043 837  ASP A OD1 \n1006 O OD2 . ASP A 142 ? 0.4272 0.3902 0.3665 -0.0182 -0.0104 -0.0105 837  ASP A OD2 \n1007 N N   . LEU A 143 ? 0.3057 0.3044 0.2770 0.0050  -0.0092 -0.0183 838  LEU A N   \n1008 C CA  . LEU A 143 ? 0.2637 0.2559 0.2341 0.0095  -0.0091 -0.0194 838  LEU A CA  \n1009 C C   . LEU A 143 ? 0.2510 0.2330 0.2151 0.0048  -0.0111 -0.0196 838  LEU A C   \n1010 O O   . LEU A 143 ? 0.2831 0.2721 0.2522 -0.0009 -0.0135 -0.0204 838  LEU A O   \n1011 C CB  . LEU A 143 ? 0.2755 0.2804 0.2585 0.0127  -0.0085 -0.0223 838  LEU A CB  \n1012 C CG  . LEU A 143 ? 0.2651 0.2642 0.2472 0.0170  -0.0071 -0.0227 838  LEU A CG  \n1013 C CD1 . LEU A 143 ? 0.3248 0.3176 0.3007 0.0229  -0.0047 -0.0210 838  LEU A CD1 \n1014 C CD2 . LEU A 143 ? 0.2858 0.2962 0.2800 0.0180  -0.0063 -0.0252 838  LEU A CD2 \n1015 N N   . ALA A 144 ? 0.2823 0.2483 0.2348 0.0078  -0.0104 -0.0190 839  ALA A N   \n1016 C CA  . ALA A 144 ? 0.2874 0.2401 0.2296 0.0036  -0.0126 -0.0198 839  ALA A CA  \n1017 C C   . ALA A 144 ? 0.3162 0.2537 0.2470 0.0104  -0.0098 -0.0198 839  ALA A C   \n1018 O O   . ALA A 144 ? 0.3274 0.2637 0.2576 0.0173  -0.0065 -0.0186 839  ALA A O   \n1019 C CB  . ALA A 144 ? 0.3366 0.2803 0.2702 -0.0049 -0.0147 -0.0187 839  ALA A CB  \n1020 N N   . ALA A 145 ? 0.3236 0.2500 0.2448 0.0091  -0.0110 -0.0213 840  ALA A N   \n1021 C CA  . ALA A 145 ? 0.3293 0.2411 0.2384 0.0162  -0.0072 -0.0218 840  ALA A CA  \n1022 C C   . ALA A 145 ? 0.3416 0.2352 0.2367 0.0192  -0.0051 -0.0207 840  ALA A C   \n1023 O O   . ALA A 145 ? 0.3726 0.2604 0.2633 0.0285  -0.0005 -0.0203 840  ALA A O   \n1024 C CB  . ALA A 145 ? 0.3305 0.2320 0.2284 0.0139  -0.0091 -0.0238 840  ALA A CB  \n1025 N N   . ARG A 146 ? 0.3635 0.2491 0.2527 0.0117  -0.0080 -0.0200 841  ARG A N   \n1026 C CA  . ARG A 146 ? 0.4117 0.2767 0.2859 0.0141  -0.0061 -0.0183 841  ARG A CA  \n1027 C C   . ARG A 146 ? 0.4197 0.2943 0.3019 0.0231  -0.0030 -0.0151 841  ARG A C   \n1028 O O   . ARG A 146 ? 0.4450 0.3043 0.3160 0.0306  -0.0004 -0.0131 841  ARG A O   \n1029 C CB  . ARG A 146 ? 0.4244 0.2801 0.2917 0.0018  -0.0096 -0.0175 841  ARG A CB  \n1030 C CG  . ARG A 146 ? 0.4177 0.2955 0.3014 -0.0043 -0.0113 -0.0154 841  ARG A CG  \n1031 C CD  . ARG A 146 ? 0.5586 0.4305 0.4374 -0.0175 -0.0137 -0.0142 841  ARG A CD  \n1032 N NE  . ARG A 146 ? 0.5249 0.4221 0.4213 -0.0218 -0.0142 -0.0128 841  ARG A NE  \n1033 C CZ  . ARG A 146 ? 0.5389 0.4559 0.4494 -0.0277 -0.0172 -0.0149 841  ARG A CZ  \n1034 N NH1 . ARG A 146 ? 0.4965 0.4117 0.4054 -0.0311 -0.0210 -0.0179 841  ARG A NH1 \n1035 N NH2 . ARG A 146 ? 0.5023 0.4411 0.4277 -0.0297 -0.0165 -0.0139 841  ARG A NH2 \n1036 N N   . ASN A 147 ? 0.3552 0.2548 0.2562 0.0228  -0.0038 -0.0147 842  ASN A N   \n1037 C CA  . ASN A 147 ? 0.3627 0.2751 0.2725 0.0298  -0.0023 -0.0122 842  ASN A CA  \n1038 C C   . ASN A 147 ? 0.3634 0.2904 0.2847 0.0384  0.0004  -0.0134 842  ASN A C   \n1039 O O   . ASN A 147 ? 0.3596 0.3044 0.2933 0.0419  0.0004  -0.0127 842  ASN A O   \n1040 C CB  . ASN A 147 ? 0.3522 0.2803 0.2722 0.0231  -0.0046 -0.0112 842  ASN A CB  \n1041 C CG  . ASN A 147 ? 0.3976 0.3119 0.3058 0.0157  -0.0057 -0.0086 842  ASN A CG  \n1042 O OD1 . ASN A 147 ? 0.4226 0.3146 0.3144 0.0179  -0.0046 -0.0065 842  ASN A OD1 \n1043 N ND2 . ASN A 147 ? 0.3939 0.3206 0.3099 0.0070  -0.0073 -0.0087 842  ASN A ND2 \n1044 N N   . VAL A 148 ? 0.3380 0.2582 0.2551 0.0408  0.0026  -0.0154 843  VAL A N   \n1045 C CA  . VAL A 148 ? 0.2880 0.2191 0.2134 0.0490  0.0067  -0.0160 843  VAL A CA  \n1046 C C   . VAL A 148 ? 0.3485 0.2613 0.2589 0.0578  0.0107  -0.0156 843  VAL A C   \n1047 O O   . VAL A 148 ? 0.3764 0.2679 0.2702 0.0552  0.0107  -0.0170 843  VAL A O   \n1048 C CB  . VAL A 148 ? 0.3188 0.2581 0.2515 0.0448  0.0072  -0.0182 843  VAL A CB  \n1049 C CG1 . VAL A 148 ? 0.3320 0.2831 0.2737 0.0516  0.0123  -0.0183 843  VAL A CG1 \n1050 C CG2 . VAL A 148 ? 0.3155 0.2700 0.2614 0.0371  0.0033  -0.0189 843  VAL A CG2 \n1051 N N   . LEU A 149 ? 0.3481 0.2696 0.2643 0.0684  0.0141  -0.0141 844  LEU A N   \n1052 C CA  . LEU A 149 ? 0.3562 0.2615 0.2591 0.0796  0.0186  -0.0135 844  LEU A CA  \n1053 C C   . LEU A 149 ? 0.3643 0.2813 0.2747 0.0872  0.0249  -0.0148 844  LEU A C   \n1054 O O   . LEU A 149 ? 0.3486 0.2900 0.2777 0.0856  0.0256  -0.0149 844  LEU A O   \n1055 C CB  . LEU A 149 ? 0.3885 0.2926 0.2898 0.0884  0.0176  -0.0098 844  LEU A CB  \n1056 C CG  . LEU A 149 ? 0.3989 0.2909 0.2915 0.0812  0.0125  -0.0075 844  LEU A CG  \n1057 C CD1 . LEU A 149 ? 0.4220 0.3115 0.3108 0.0918  0.0120  -0.0029 844  LEU A CD1 \n1058 C CD2 . LEU A 149 ? 0.4485 0.3104 0.3201 0.0734  0.0118  -0.0090 844  LEU A CD2 \n1059 N N   . VAL A 150 ? 0.3939 0.2923 0.2886 0.0951  0.0300  -0.0159 845  VAL A N   \n1060 C CA  . VAL A 150 ? 0.4122 0.3193 0.3109 0.1019  0.0374  -0.0172 845  VAL A CA  \n1061 C C   . VAL A 150 ? 0.4257 0.3411 0.3296 0.1176  0.0422  -0.0153 845  VAL A C   \n1062 O O   . VAL A 150 ? 0.4379 0.3316 0.3249 0.1273  0.0443  -0.0151 845  VAL A O   \n1063 C CB  . VAL A 150 ? 0.4145 0.2960 0.2909 0.1003  0.0405  -0.0205 845  VAL A CB  \n1064 C CG1 . VAL A 150 ? 0.4179 0.3083 0.2969 0.1066  0.0492  -0.0216 845  VAL A CG1 \n1065 C CG2 . VAL A 150 ? 0.4154 0.2910 0.2879 0.0851  0.0340  -0.0219 845  VAL A CG2 \n1066 N N   . LYS A 151 ? 0.3835 0.3303 0.3108 0.1203  0.0435  -0.0138 846  LYS A N   \n1067 C CA  . LYS A 151 ? 0.4296 0.3904 0.3655 0.1357  0.0477  -0.0118 846  LYS A CA  \n1068 C C   . LYS A 151 ? 0.4437 0.4015 0.3741 0.1441  0.0579  -0.0137 846  LYS A C   \n1069 O O   . LYS A 151 ? 0.4407 0.3873 0.3609 0.1587  0.0627  -0.0135 846  LYS A O   \n1070 C CB  . LYS A 151 ? 0.4321 0.4298 0.3956 0.1345  0.0450  -0.0101 846  LYS A CB  \n1071 C CG  . LYS A 151 ? 0.4937 0.5091 0.4677 0.1509  0.0474  -0.0076 846  LYS A CG  \n1072 C CD  . LYS A 151 ? 0.5702 0.6239 0.5718 0.1478  0.0438  -0.0066 846  LYS A CD  \n1073 C CE  . LYS A 151 ? 0.6385 0.7125 0.6514 0.1648  0.0447  -0.0037 846  LYS A CE  \n1074 N NZ  . LYS A 151 ? 0.7008 0.8131 0.7403 0.1605  0.0395  -0.0032 846  LYS A NZ  \n1075 N N   . THR A 152 ? 0.4294 0.3962 0.3655 0.1350  0.0614  -0.0155 847  THR A N   \n1076 C CA  . THR A 152 ? 0.4586 0.4171 0.3839 0.1391  0.0710  -0.0176 847  THR A CA  \n1077 C C   . THR A 152 ? 0.4414 0.3899 0.3588 0.1241  0.0690  -0.0193 847  THR A C   \n1078 O O   . THR A 152 ? 0.4206 0.3769 0.3479 0.1125  0.0618  -0.0185 847  THR A O   \n1079 C CB  . THR A 152 ? 0.4362 0.4268 0.3830 0.1455  0.0798  -0.0165 847  THR A CB  \n1080 O OG1 . THR A 152 ? 0.4564 0.4704 0.4233 0.1321  0.0776  -0.0157 847  THR A OG1 \n1081 C CG2 . THR A 152 ? 0.5205 0.5293 0.4809 0.1604  0.0806  -0.0143 847  THR A CG2 \n1082 N N   . PRO A 153 ? 0.4768 0.4080 0.3757 0.1250  0.0753  -0.0215 848  PRO A N   \n1083 C CA  . PRO A 153 ? 0.4836 0.4061 0.3743 0.1119  0.0725  -0.0224 848  PRO A CA  \n1084 C C   . PRO A 153 ? 0.4760 0.4241 0.3892 0.1020  0.0717  -0.0201 848  PRO A C   \n1085 O O   . PRO A 153 ? 0.4559 0.3985 0.3664 0.0910  0.0660  -0.0200 848  PRO A O   \n1086 C CB  . PRO A 153 ? 0.5272 0.4343 0.3976 0.1173  0.0818  -0.0246 848  PRO A CB  \n1087 C CG  . PRO A 153 ? 0.5348 0.4263 0.3921 0.1313  0.0852  -0.0265 848  PRO A CG  \n1088 C CD  . PRO A 153 ? 0.5217 0.4372 0.4029 0.1384  0.0843  -0.0236 848  PRO A CD  \n1089 N N   . GLN A 154 ? 0.4363 0.4118 0.3714 0.1061  0.0770  -0.0183 849  GLN A N   \n1090 C CA  . GLN A 154 ? 0.4176 0.4169 0.3743 0.0964  0.0769  -0.0166 849  GLN A CA  \n1091 C C   . GLN A 154 ? 0.4305 0.4462 0.4065 0.0913  0.0679  -0.0161 849  GLN A C   \n1092 O O   . GLN A 154 ? 0.4389 0.4725 0.4320 0.0827  0.0672  -0.0154 849  GLN A O   \n1093 C CB  . GLN A 154 ? 0.4582 0.4810 0.4296 0.1014  0.0879  -0.0153 849  GLN A CB  \n1094 C CG  . GLN A 154 ? 0.5555 0.5663 0.5094 0.1064  0.0990  -0.0156 849  GLN A CG  \n1095 C CD  . GLN A 154 ? 0.6490 0.6461 0.5872 0.1219  0.1037  -0.0176 849  GLN A CD  \n1096 O OE1 . GLN A 154 ? 0.6172 0.6261 0.5663 0.1323  0.1034  -0.0174 849  GLN A OE1 \n1097 N NE2 . GLN A 154 ? 0.7011 0.6721 0.6124 0.1241  0.1078  -0.0196 849  GLN A NE2 \n1098 N N   . HIS A 155 ? 0.4098 0.4183 0.3816 0.0963  0.0616  -0.0164 850  HIS A N   \n1099 C CA  . HIS A 155 ? 0.3809 0.4066 0.3696 0.0940  0.0542  -0.0157 850  HIS A CA  \n1100 C C   . HIS A 155 ? 0.3762 0.3824 0.3515 0.0932  0.0460  -0.0159 850  HIS A C   \n1101 O O   . HIS A 155 ? 0.3941 0.3856 0.3565 0.1025  0.0463  -0.0155 850  HIS A O   \n1102 C CB  . HIS A 155 ? 0.4122 0.4616 0.4168 0.1050  0.0577  -0.0145 850  HIS A CB  \n1103 C CG  . HIS A 155 ? 0.4456 0.5153 0.4671 0.1038  0.0501  -0.0138 850  HIS A CG  \n1104 N ND1 . HIS A 155 ? 0.4821 0.5758 0.5190 0.1135  0.0509  -0.0124 850  HIS A ND1 \n1105 C CD2 . HIS A 155 ? 0.4712 0.5413 0.4957 0.0947  0.0416  -0.0144 850  HIS A CD2 \n1106 C CE1 . HIS A 155 ? 0.5255 0.6329 0.5730 0.1098  0.0425  -0.0122 850  HIS A CE1 \n1107 N NE2 . HIS A 155 ? 0.4277 0.5205 0.4675 0.0984  0.0373  -0.0136 850  HIS A NE2 \n1108 N N   . VAL A 156 ? 0.3368 0.3422 0.3148 0.0822  0.0394  -0.0166 851  VAL A N   \n1109 C CA  . VAL A 156 ? 0.3380 0.3274 0.3048 0.0796  0.0323  -0.0166 851  VAL A CA  \n1110 C C   . VAL A 156 ? 0.3258 0.3316 0.3063 0.0766  0.0262  -0.0160 851  VAL A C   \n1111 O O   . VAL A 156 ? 0.3075 0.3348 0.3055 0.0731  0.0261  -0.0166 851  VAL A O   \n1112 C CB  . VAL A 156 ? 0.3063 0.2784 0.2610 0.0700  0.0294  -0.0179 851  VAL A CB  \n1113 C CG1 . VAL A 156 ? 0.3805 0.3345 0.3179 0.0731  0.0347  -0.0188 851  VAL A CG1 \n1114 C CG2 . VAL A 156 ? 0.3244 0.3100 0.2925 0.0606  0.0276  -0.0186 851  VAL A CG2 \n1115 N N   . LYS A 157 ? 0.3151 0.3094 0.2862 0.0774  0.0214  -0.0149 852  LYS A N   \n1116 C CA  . LYS A 157 ? 0.2922 0.3001 0.2726 0.0760  0.0159  -0.0139 852  LYS A CA  \n1117 C C   . LYS A 157 ? 0.3325 0.3257 0.3020 0.0691  0.0110  -0.0136 852  LYS A C   \n1118 O O   . LYS A 157 ? 0.3544 0.3255 0.3073 0.0695  0.0112  -0.0128 852  LYS A O   \n1119 C CB  . LYS A 157 ? 0.3295 0.3436 0.3109 0.0881  0.0160  -0.0111 852  LYS A CB  \n1120 C CG  . LYS A 157 ? 0.3718 0.4038 0.3656 0.0966  0.0212  -0.0110 852  LYS A CG  \n1121 C CD  . LYS A 157 ? 0.3863 0.4250 0.3809 0.1100  0.0200  -0.0078 852  LYS A CD  \n1122 C CE  . LYS A 157 ? 0.4666 0.5293 0.4758 0.1082  0.0133  -0.0071 852  LYS A CE  \n1123 N NZ  . LYS A 157 ? 0.5258 0.5951 0.5347 0.1225  0.0112  -0.0032 852  LYS A NZ  \n1124 N N   . ILE A 158 ? 0.2867 0.2925 0.2655 0.0621  0.0068  -0.0146 853  ILE A N   \n1125 C CA  . ILE A 158 ? 0.2885 0.2850 0.2597 0.0553  0.0030  -0.0142 853  ILE A CA  \n1126 C C   . ILE A 158 ? 0.3002 0.2912 0.2628 0.0599  0.0008  -0.0107 853  ILE A C   \n1127 O O   . ILE A 158 ? 0.3087 0.3126 0.2773 0.0667  -0.0002 -0.0092 853  ILE A O   \n1128 C CB  . ILE A 158 ? 0.2598 0.2723 0.2438 0.0476  0.0004  -0.0170 853  ILE A CB  \n1129 C CG1 . ILE A 158 ? 0.2774 0.2904 0.2667 0.0427  0.0024  -0.0196 853  ILE A CG1 \n1130 C CG2 . ILE A 158 ? 0.3089 0.3166 0.2870 0.0416  -0.0027 -0.0164 853  ILE A CG2 \n1131 C CD1 . ILE A 158 ? 0.2991 0.3294 0.3033 0.0386  0.0014  -0.0226 853  ILE A CD1 \n1132 N N   . THR A 159 ? 0.2870 0.2593 0.2353 0.0559  -0.0003 -0.0090 854  THR A N   \n1133 C CA  . THR A 159 ? 0.2927 0.2569 0.2306 0.0590  -0.0020 -0.0048 854  THR A CA  \n1134 C C   . THR A 159 ? 0.3442 0.3039 0.2772 0.0486  -0.0040 -0.0042 854  THR A C   \n1135 O O   . THR A 159 ? 0.3212 0.2857 0.2602 0.0399  -0.0044 -0.0073 854  THR A O   \n1136 C CB  . THR A 159 ? 0.3581 0.2986 0.2792 0.0675  0.0004  -0.0019 854  THR A CB  \n1137 O OG1 . THR A 159 ? 0.3929 0.3269 0.3048 0.0730  -0.0013 0.0031  854  THR A OG1 \n1138 C CG2 . THR A 159 ? 0.3769 0.2932 0.2837 0.0600  0.0015  -0.0031 854  THR A CG2 \n1139 N N   . ASP A 160 ? 0.3597 0.3113 0.2819 0.0500  -0.0051 0.0003  855  ASP A N   \n1140 C CA  . ASP A 160 ? 0.4123 0.3573 0.3272 0.0401  -0.0058 0.0020  855  ASP A CA  \n1141 C C   . ASP A 160 ? 0.4251 0.3920 0.3529 0.0334  -0.0070 -0.0007 855  ASP A C   \n1142 O O   . ASP A 160 ? 0.4441 0.4100 0.3706 0.0239  -0.0066 -0.0008 855  ASP A O   \n1143 C CB  . ASP A 160 ? 0.4350 0.3616 0.3414 0.0317  -0.0047 0.0009  855  ASP A CB  \n1144 C CG  . ASP A 160 ? 0.5651 0.4722 0.4551 0.0254  -0.0043 0.0054  855  ASP A CG  \n1145 O OD1 . ASP A 160 ? 0.5574 0.4531 0.4357 0.0322  -0.0039 0.0103  855  ASP A OD1 \n1146 O OD2 . ASP A 160 ? 0.6493 0.5524 0.5380 0.0137  -0.0044 0.0042  855  ASP A OD2 \n1147 N N   . PHE A 161 ? 0.4033 0.3900 0.3437 0.0380  -0.0083 -0.0032 856  PHE A N   \n1148 C CA  . PHE A 161 ? 0.3857 0.3910 0.3362 0.0327  -0.0093 -0.0064 856  PHE A CA  \n1149 C C   . PHE A 161 ? 0.4532 0.4599 0.3947 0.0327  -0.0103 -0.0028 856  PHE A C   \n1150 O O   . PHE A 161 ? 0.4220 0.4220 0.3537 0.0399  -0.0115 0.0019  856  PHE A O   \n1151 C CB  . PHE A 161 ? 0.3708 0.3946 0.3362 0.0362  -0.0106 -0.0109 856  PHE A CB  \n1152 C CG  . PHE A 161 ? 0.3722 0.4010 0.3382 0.0458  -0.0123 -0.0089 856  PHE A CG  \n1153 C CD1 . PHE A 161 ? 0.4460 0.4689 0.4131 0.0519  -0.0105 -0.0081 856  PHE A CD1 \n1154 C CD2 . PHE A 161 ? 0.4181 0.4587 0.3835 0.0491  -0.0155 -0.0078 856  PHE A CD2 \n1155 C CE1 . PHE A 161 ? 0.4249 0.4554 0.3946 0.0617  -0.0117 -0.0062 856  PHE A CE1 \n1156 C CE2 . PHE A 161 ? 0.4859 0.5342 0.4535 0.0587  -0.0179 -0.0057 856  PHE A CE2 \n1157 C CZ  . PHE A 161 ? 0.4439 0.4880 0.4147 0.0652  -0.0158 -0.0048 856  PHE A CZ  \n1158 N N   . GLY A 162 ? 0.4704 0.4856 0.4146 0.0254  -0.0094 -0.0048 857  GLY A N   \n1159 C CA  . GLY A 162 ? 0.4982 0.5174 0.4339 0.0244  -0.0095 -0.0021 857  GLY A CA  \n1160 C C   . GLY A 162 ? 0.4939 0.4949 0.4122 0.0216  -0.0076 0.0050  857  GLY A C   \n1161 O O   . GLY A 162 ? 0.5041 0.5063 0.4127 0.0213  -0.0074 0.0085  857  GLY A O   \n1162 N N   . LEU A 163 ? 0.4746 0.4572 0.3874 0.0191  -0.0063 0.0072  858  LEU A N   \n1163 C CA  . LEU A 163 ? 0.5171 0.4797 0.4129 0.0139  -0.0040 0.0134  858  LEU A CA  \n1164 C C   . LEU A 163 ? 0.5473 0.5179 0.4467 0.0016  -0.0009 0.0124  858  LEU A C   \n1165 O O   . LEU A 163 ? 0.5481 0.5147 0.4366 -0.0032 0.0016  0.0172  858  LEU A O   \n1166 C CB  . LEU A 163 ? 0.5351 0.4741 0.4229 0.0138  -0.0037 0.0149  858  LEU A CB  \n1167 C CG  . LEU A 163 ? 0.6608 0.5782 0.5329 0.0241  -0.0044 0.0200  858  LEU A CG  \n1168 C CD1 . LEU A 163 ? 0.6859 0.5772 0.5473 0.0201  -0.0029 0.0204  858  LEU A CD1 \n1169 C CD2 . LEU A 163 ? 0.6683 0.5772 0.5245 0.0261  -0.0040 0.0275  858  LEU A CD2 \n1170 N N   . ALA A 164 ? 0.5484 0.5311 0.4632 -0.0030 -0.0009 0.0065  859  ALA A N   \n1171 C CA  . ALA A 164 ? 0.5636 0.5580 0.4857 -0.0134 0.0019  0.0049  859  ALA A CA  \n1172 C C   . ALA A 164 ? 0.5760 0.5843 0.4966 -0.0142 0.0047  0.0057  859  ALA A C   \n1173 O O   . ALA A 164 ? 0.5470 0.5547 0.4617 -0.0226 0.0086  0.0093  859  ALA A O   \n1174 C CB  . ALA A 164 ? 0.5539 0.5623 0.4938 -0.0139 0.0006  -0.0017 859  ALA A CB  \n1175 N N   . LYS A 165 ? 0.5855 0.6057 0.5102 -0.0062 0.0028  0.0025  860  LYS A N   \n1176 C CA  . LYS A 165 ? 0.6162 0.6490 0.5372 -0.0061 0.0050  0.0023  860  LYS A CA  \n1177 C C   . LYS A 165 ? 0.6666 0.6867 0.5672 -0.0046 0.0054  0.0101  860  LYS A C   \n1178 O O   . LYS A 165 ? 0.6893 0.7139 0.5818 -0.0089 0.0093  0.0126  860  LYS A O   \n1179 C CB  . LYS A 165 ? 0.6323 0.6804 0.5626 0.0009  0.0021  -0.0045 860  LYS A CB  \n1180 C CG  . LYS A 165 ? 0.6420 0.7046 0.5701 -0.0001 0.0048  -0.0073 860  LYS A CG  \n1181 C CD  . LYS A 165 ? 0.6586 0.7307 0.5893 0.0069  0.0005  -0.0127 860  LYS A CD  \n1182 C CE  . LYS A 165 ? 0.6756 0.7602 0.6015 0.0059  0.0031  -0.0166 860  LYS A CE  \n1183 N NZ  . LYS A 165 ? 0.6638 0.7568 0.5918 0.0112  -0.0019 -0.0230 860  LYS A NZ  \n1184 N N   . LEU A 166 ? 0.6700 0.6743 0.5618 0.0023  0.0018  0.0142  861  LEU A N   \n1185 C CA  . LEU A 166 ? 0.7354 0.7246 0.6064 0.0056  0.0016  0.0226  861  LEU A CA  \n1186 C C   . LEU A 166 ? 0.7695 0.7424 0.6277 -0.0051 0.0069  0.0291  861  LEU A C   \n1187 O O   . LEU A 166 ? 0.8103 0.7768 0.6519 -0.0067 0.0094  0.0356  861  LEU A O   \n1188 C CB  . LEU A 166 ? 0.7365 0.7122 0.6021 0.0167  -0.0031 0.0256  861  LEU A CB  \n1189 C CG  . LEU A 166 ? 0.7836 0.7388 0.6270 0.0231  -0.0041 0.0351  861  LEU A CG  \n1190 C CD1 . LEU A 166 ? 0.7902 0.7540 0.6221 0.0255  -0.0049 0.0387  861  LEU A CD1 \n1191 C CD2 . LEU A 166 ? 0.7779 0.7266 0.6225 0.0363  -0.0087 0.0357  861  LEU A CD2 \n1192 N N   . LEU A 167 ? 0.7808 0.7474 0.6462 -0.0129 0.0085  0.0273  862  LEU A N   \n1193 C CA  . LEU A 167 ? 0.8182 0.7716 0.6747 -0.0258 0.0133  0.0322  862  LEU A CA  \n1194 C C   . LEU A 167 ? 0.8269 0.8007 0.6905 -0.0356 0.0188  0.0309  862  LEU A C   \n1195 O O   . LEU A 167 ? 0.8628 0.8291 0.7149 -0.0452 0.0239  0.0370  862  LEU A O   \n1196 C CB  . LEU A 167 ? 0.8082 0.7502 0.6707 -0.0315 0.0121  0.0297  862  LEU A CB  \n1197 C CG  . LEU A 167 ? 0.8237 0.7360 0.6712 -0.0256 0.0094  0.0334  862  LEU A CG  \n1198 C CD1 . LEU A 167 ? 0.7655 0.6754 0.6236 -0.0253 0.0065  0.0273  862  LEU A CD1 \n1199 C CD2 . LEU A 167 ? 0.8469 0.7315 0.6730 -0.0346 0.0129  0.0414  862  LEU A CD2 \n1200 N N   . GLY A 168 ? 0.8074 0.8065 0.6896 -0.0331 0.0183  0.0231  863  GLY A N   \n1201 C CA  . GLY A 168 ? 0.7796 0.8007 0.6702 -0.0396 0.0239  0.0206  863  GLY A CA  \n1202 C C   . GLY A 168 ? 0.7531 0.7890 0.6639 -0.0468 0.0252  0.0154  863  GLY A C   \n1203 O O   . GLY A 168 ? 0.7549 0.8032 0.6706 -0.0563 0.0310  0.0163  863  GLY A O   \n1204 N N   . ALA A 169 ? 0.7160 0.7522 0.6389 -0.0420 0.0199  0.0102  864  ALA A N   \n1205 C CA  . ALA A 169 ? 0.6734 0.7230 0.6149 -0.0470 0.0195  0.0054  864  ALA A CA  \n1206 C C   . ALA A 169 ? 0.6526 0.7288 0.6105 -0.0437 0.0220  -0.0009 864  ALA A C   \n1207 O O   . ALA A 169 ? 0.6266 0.7169 0.6006 -0.0467 0.0220  -0.0044 864  ALA A O   \n1208 C CB  . ALA A 169 ? 0.6974 0.7358 0.6430 -0.0427 0.0133  0.0028  864  ALA A CB  \n1209 N N   . GLU A 170 ? 0.6216 0.7039 0.5746 -0.0369 0.0237  -0.0027 865  GLU A N   \n1210 C CA  . GLU A 170 ? 0.6152 0.7196 0.5799 -0.0335 0.0272  -0.0090 865  GLU A CA  \n1211 C C   . GLU A 170 ? 0.6182 0.7356 0.5806 -0.0406 0.0355  -0.0065 865  GLU A C   \n1212 O O   . GLU A 170 ? 0.6213 0.7575 0.5920 -0.0378 0.0400  -0.0115 865  GLU A O   \n1213 C CB  . GLU A 170 ? 0.6028 0.7073 0.5629 -0.0234 0.0247  -0.0136 865  GLU A CB  \n1214 C CG  . GLU A 170 ? 0.6485 0.7479 0.6173 -0.0168 0.0182  -0.0180 865  GLU A CG  \n1215 C CD  . GLU A 170 ? 0.6652 0.7684 0.6329 -0.0088 0.0161  -0.0239 865  GLU A CD  \n1216 O OE1 . GLU A 170 ? 0.6365 0.7381 0.6130 -0.0043 0.0120  -0.0282 865  GLU A OE1 \n1217 O OE2 . GLU A 170 ? 0.6747 0.7822 0.6322 -0.0077 0.0184  -0.0243 865  GLU A OE2 \n1218 N N   . GLU A 171 ? 0.6159 0.7223 0.5662 -0.0498 0.0381  0.0014  866  GLU A N   \n1219 C CA  . GLU A 171 ? 0.6357 0.7523 0.5808 -0.0577 0.0468  0.0053  866  GLU A CA  \n1220 C C   . GLU A 171 ? 0.6525 0.7724 0.6048 -0.0717 0.0499  0.0096  866  GLU A C   \n1221 O O   . GLU A 171 ? 0.6346 0.7436 0.5912 -0.0755 0.0444  0.0103  866  GLU A O   \n1222 C CB  . GLU A 171 ? 0.6632 0.7637 0.5832 -0.0569 0.0485  0.0117  866  GLU A CB  \n1223 C CG  . GLU A 171 ? 0.7114 0.8173 0.6242 -0.0457 0.0476  0.0071  866  GLU A CG  \n1224 C CD  . GLU A 171 ? 0.7598 0.8558 0.6736 -0.0353 0.0383  0.0032  866  GLU A CD  \n1225 O OE1 . GLU A 171 ? 0.8039 0.9115 0.7270 -0.0279 0.0364  -0.0050 866  GLU A OE1 \n1226 O OE2 . GLU A 171 ? 0.7811 0.8576 0.6863 -0.0345 0.0332  0.0082  866  GLU A OE2 \n1227 N N   . LYS A 172 ? 0.6751 0.8107 0.6283 -0.0796 0.0590  0.0121  867  LYS A N   \n1228 C CA  . LYS A 172 ? 0.7391 0.8817 0.6988 -0.0954 0.0636  0.0168  867  LYS A CA  \n1229 C C   . LYS A 172 ? 0.7371 0.9041 0.7243 -0.0977 0.0619  0.0113  867  LYS A C   \n1230 O O   . LYS A 172 ? 0.7506 0.9444 0.7521 -0.1034 0.0691  0.0107  867  LYS A O   \n1231 C CB  . LYS A 172 ? 0.7537 0.8660 0.6965 -0.1052 0.0605  0.0245  867  LYS A CB  \n1232 C CG  . LYS A 172 ? 0.7758 0.8652 0.6904 -0.1045 0.0636  0.0321  867  LYS A CG  \n1233 C CD  . LYS A 172 ? 0.8379 0.9013 0.7366 -0.1183 0.0647  0.0410  867  LYS A CD  \n1234 C CE  . LYS A 172 ? 0.8717 0.9148 0.7420 -0.1180 0.0693  0.0498  867  LYS A CE  \n1235 N NZ  . LYS A 172 ? 0.9283 0.9481 0.7829 -0.1341 0.0732  0.0592  867  LYS A NZ  \n1236 N N   . LYS A 180 ? 0.7693 0.7222 0.6752 -0.1094 0.0098  0.0172  875  LYS A N   \n1237 C CA  . LYS A 180 ? 0.7474 0.7113 0.6672 -0.1089 0.0037  0.0106  875  LYS A CA  \n1238 C C   . LYS A 180 ? 0.7066 0.6850 0.6378 -0.0920 0.0014  0.0063  875  LYS A C   \n1239 O O   . LYS A 180 ? 0.7013 0.6689 0.6237 -0.0798 0.0023  0.0075  875  LYS A O   \n1240 C CB  . LYS A 180 ? 0.7825 0.7151 0.6859 -0.1133 -0.0009 0.0096  875  LYS A CB  \n1241 C CG  . LYS A 180 ? 0.8081 0.7514 0.7230 -0.1171 -0.0076 0.0035  875  LYS A CG  \n1242 C CD  . LYS A 180 ? 0.9303 0.8403 0.8257 -0.1187 -0.0119 0.0015  875  LYS A CD  \n1243 C CE  . LYS A 180 ? 0.9398 0.8609 0.8449 -0.1201 -0.0191 -0.0047 875  LYS A CE  \n1244 N NZ  . LYS A 180 ? 1.0038 0.8918 0.8878 -0.1226 -0.0230 -0.0074 875  LYS A NZ  \n1245 N N   . VAL A 181 ? 0.6392 0.6420 0.5899 -0.0917 -0.0017 0.0014  876  VAL A N   \n1246 C CA  . VAL A 181 ? 0.5836 0.5991 0.5454 -0.0774 -0.0038 -0.0028 876  VAL A CA  \n1247 C C   . VAL A 181 ? 0.5132 0.5242 0.4774 -0.0752 -0.0104 -0.0069 876  VAL A C   \n1248 O O   . VAL A 181 ? 0.5028 0.5155 0.4693 -0.0855 -0.0141 -0.0079 876  VAL A O   \n1249 C CB  . VAL A 181 ? 0.5460 0.5940 0.5276 -0.0745 -0.0008 -0.0048 876  VAL A CB  \n1250 C CG1 . VAL A 181 ? 0.6353 0.6853 0.6112 -0.0716 0.0055  -0.0018 876  VAL A CG1 \n1251 C CG2 . VAL A 181 ? 0.6208 0.6907 0.6172 -0.0861 -0.0012 -0.0054 876  VAL A CG2 \n1252 N N   . PRO A 182 ? 0.4816 0.4872 0.4447 -0.0623 -0.0118 -0.0091 877  PRO A N   \n1253 C CA  . PRO A 182 ? 0.4514 0.4525 0.4152 -0.0591 -0.0172 -0.0125 877  PRO A CA  \n1254 C C   . PRO A 182 ? 0.3896 0.4169 0.3729 -0.0572 -0.0198 -0.0155 877  PRO A C   \n1255 O O   . PRO A 182 ? 0.3637 0.3962 0.3530 -0.0467 -0.0203 -0.0175 877  PRO A O   \n1256 C CB  . PRO A 182 ? 0.4452 0.4334 0.4017 -0.0461 -0.0159 -0.0129 877  PRO A CB  \n1257 C CG  . PRO A 182 ? 0.4953 0.4958 0.4579 -0.0408 -0.0115 -0.0116 877  PRO A CG  \n1258 C CD  . PRO A 182 ? 0.5066 0.5092 0.4662 -0.0509 -0.0086 -0.0082 877  PRO A CD  \n1259 N N   . ILE A 183 ? 0.3382 0.3817 0.3313 -0.0673 -0.0216 -0.0155 878  ILE A N   \n1260 C CA  . ILE A 183 ? 0.3462 0.4182 0.3597 -0.0649 -0.0236 -0.0176 878  ILE A CA  \n1261 C C   . ILE A 183 ? 0.2948 0.3654 0.3104 -0.0559 -0.0288 -0.0201 878  ILE A C   \n1262 O O   . ILE A 183 ? 0.2776 0.3624 0.3051 -0.0465 -0.0283 -0.0216 878  ILE A O   \n1263 C CB  . ILE A 183 ? 0.3634 0.4533 0.3871 -0.0784 -0.0261 -0.0171 878  ILE A CB  \n1264 C CG1 . ILE A 183 ? 0.4078 0.5065 0.4340 -0.0870 -0.0192 -0.0142 878  ILE A CG1 \n1265 C CG2 . ILE A 183 ? 0.3692 0.4867 0.4128 -0.0741 -0.0304 -0.0194 878  ILE A CG2 \n1266 C CD1 . ILE A 183 ? 0.4530 0.5778 0.4955 -0.0798 -0.0134 -0.0148 878  ILE A CD1 \n1267 N N   . LYS A 184 ? 0.3118 0.3632 0.3138 -0.0586 -0.0334 -0.0206 879  LYS A N   \n1268 C CA  . LYS A 184 ? 0.2783 0.3278 0.2800 -0.0513 -0.0385 -0.0224 879  LYS A CA  \n1269 C C   . LYS A 184 ? 0.3148 0.3548 0.3131 -0.0384 -0.0352 -0.0228 879  LYS A C   \n1270 O O   . LYS A 184 ? 0.3088 0.3477 0.3071 -0.0319 -0.0382 -0.0236 879  LYS A O   \n1271 C CB  . LYS A 184 ? 0.2795 0.3121 0.2663 -0.0589 -0.0444 -0.0234 879  LYS A CB  \n1272 C CG  . LYS A 184 ? 0.3148 0.3629 0.3093 -0.0720 -0.0498 -0.0238 879  LYS A CG  \n1273 C CD  . LYS A 184 ? 0.3856 0.4131 0.3620 -0.0821 -0.0556 -0.0255 879  LYS A CD  \n1274 C CE  . LYS A 184 ? 0.4506 0.4980 0.4374 -0.0956 -0.0623 -0.0263 879  LYS A CE  \n1275 N NZ  . LYS A 184 ? 0.4803 0.5087 0.4493 -0.1065 -0.0694 -0.0291 879  LYS A NZ  \n1276 N N   . TRP A 185 ? 0.2755 0.3099 0.2710 -0.0350 -0.0291 -0.0219 880  TRP A N   \n1277 C CA  . TRP A 185 ? 0.2750 0.3050 0.2705 -0.0243 -0.0259 -0.0226 880  TRP A CA  \n1278 C C   . TRP A 185 ? 0.2667 0.3145 0.2759 -0.0198 -0.0223 -0.0235 880  TRP A C   \n1279 O O   . TRP A 185 ? 0.2740 0.3207 0.2853 -0.0122 -0.0201 -0.0247 880  TRP A O   \n1280 C CB  . TRP A 185 ? 0.2942 0.3049 0.2756 -0.0225 -0.0226 -0.0213 880  TRP A CB  \n1281 C CG  . TRP A 185 ? 0.3030 0.2937 0.2698 -0.0221 -0.0246 -0.0215 880  TRP A CG  \n1282 C CD1 . TRP A 185 ? 0.2998 0.2815 0.2616 -0.0142 -0.0233 -0.0221 880  TRP A CD1 \n1283 C CD2 . TRP A 185 ? 0.3605 0.3372 0.3146 -0.0303 -0.0277 -0.0215 880  TRP A CD2 \n1284 N NE1 . TRP A 185 ? 0.3078 0.2709 0.2540 -0.0159 -0.0250 -0.0225 880  TRP A NE1 \n1285 C CE2 . TRP A 185 ? 0.3394 0.2980 0.2800 -0.0257 -0.0281 -0.0225 880  TRP A CE2 \n1286 C CE3 . TRP A 185 ? 0.3260 0.3037 0.2787 -0.0419 -0.0299 -0.0209 880  TRP A CE3 \n1287 C CZ2 . TRP A 185 ? 0.3653 0.3046 0.2890 -0.0317 -0.0309 -0.0236 880  TRP A CZ2 \n1288 C CZ3 . TRP A 185 ? 0.3904 0.3492 0.3274 -0.0492 -0.0333 -0.0219 880  TRP A CZ3 \n1289 C CH2 . TRP A 185 ? 0.4103 0.3492 0.3322 -0.0436 -0.0340 -0.0235 880  TRP A CH2 \n1290 N N   . MET A 186 ? 0.2363 0.3003 0.2546 -0.0251 -0.0214 -0.0232 881  MET A N   \n1291 C CA  . MET A 186 ? 0.2247 0.3033 0.2527 -0.0212 -0.0168 -0.0245 881  MET A CA  \n1292 C C   . MET A 186 ? 0.2540 0.3479 0.2958 -0.0144 -0.0177 -0.0270 881  MET A C   \n1293 O O   . MET A 186 ? 0.2335 0.3371 0.2828 -0.0156 -0.0218 -0.0269 881  MET A O   \n1294 C CB  . MET A 186 ? 0.2609 0.3500 0.2910 -0.0296 -0.0137 -0.0228 881  MET A CB  \n1295 C CG  . MET A 186 ? 0.3145 0.3869 0.3294 -0.0336 -0.0109 -0.0199 881  MET A CG  \n1296 S SD  . MET A 186 ? 0.3515 0.4294 0.3646 -0.0470 -0.0081 -0.0163 881  MET A SD  \n1297 C CE  . MET A 186 ? 0.3424 0.4466 0.3694 -0.0436 -0.0021 -0.0180 881  MET A CE  \n1298 N N   . ALA A 187 ? 0.2400 0.3369 0.2855 -0.0073 -0.0141 -0.0294 882  ALA A N   \n1299 C CA  . ALA A 187 ? 0.2503 0.3597 0.3078 -0.0002 -0.0138 -0.0321 882  ALA A CA  \n1300 C C   . ALA A 187 ? 0.2401 0.3719 0.3095 -0.0031 -0.0121 -0.0323 882  ALA A C   \n1301 O O   . ALA A 187 ? 0.2448 0.3817 0.3123 -0.0100 -0.0088 -0.0310 882  ALA A O   \n1302 C CB  . ALA A 187 ? 0.2267 0.3316 0.2830 0.0066  -0.0098 -0.0355 882  ALA A CB  \n1303 N N   . LEU A 188 ? 0.2188 0.3643 0.3005 0.0027  -0.0138 -0.0335 883  LEU A N   \n1304 C CA  . LEU A 188 ? 0.2209 0.3914 0.3166 0.0007  -0.0124 -0.0335 883  LEU A CA  \n1305 C C   . LEU A 188 ? 0.2141 0.3946 0.3118 0.0006  -0.0042 -0.0356 883  LEU A C   \n1306 O O   . LEU A 188 ? 0.2202 0.4183 0.3246 -0.0063 -0.0012 -0.0342 883  LEU A O   \n1307 C CB  . LEU A 188 ? 0.2233 0.4061 0.3319 0.0106  -0.0155 -0.0347 883  LEU A CB  \n1308 C CG  . LEU A 188 ? 0.2254 0.4387 0.3521 0.0104  -0.0147 -0.0346 883  LEU A CG  \n1309 C CD1 . LEU A 188 ? 0.2214 0.4465 0.3515 -0.0036 -0.0184 -0.0313 883  LEU A CD1 \n1310 C CD2 . LEU A 188 ? 0.3163 0.5412 0.4554 0.0231  -0.0181 -0.0354 883  LEU A CD2 \n1311 N N   . GLU A 189 ? 0.2155 0.3861 0.3076 0.0078  -0.0007 -0.0390 884  GLU A N   \n1312 C CA  . GLU A 189 ? 0.2088 0.3861 0.2990 0.0083  0.0067  -0.0416 884  GLU A CA  \n1313 C C   . GLU A 189 ? 0.2400 0.4112 0.3186 -0.0017 0.0088  -0.0383 884  GLU A C   \n1314 O O   . GLU A 189 ? 0.2292 0.4111 0.3072 -0.0045 0.0149  -0.0385 884  GLU A O   \n1315 C CB  . GLU A 189 ? 0.1801 0.3471 0.2657 0.0177  0.0090  -0.0469 884  GLU A CB  \n1316 C CG  . GLU A 189 ? 0.1910 0.3360 0.2633 0.0165  0.0066  -0.0469 884  GLU A CG  \n1317 C CD  . GLU A 189 ? 0.2156 0.3473 0.2878 0.0197  0.0012  -0.0460 884  GLU A CD  \n1318 O OE1 . GLU A 189 ? 0.2385 0.3754 0.3185 0.0219  -0.0022 -0.0443 884  GLU A OE1 \n1319 O OE2 . GLU A 189 ? 0.2175 0.3337 0.2813 0.0201  0.0002  -0.0469 884  GLU A OE2 \n1320 N N   . SER A 190 ? 0.1971 0.3505 0.2655 -0.0064 0.0043  -0.0351 885  SER A N   \n1321 C CA  . SER A 190 ? 0.2224 0.3661 0.2781 -0.0149 0.0056  -0.0312 885  SER A CA  \n1322 C C   . SER A 190 ? 0.2314 0.3868 0.2920 -0.0254 0.0063  -0.0275 885  SER A C   \n1323 O O   . SER A 190 ? 0.2413 0.3998 0.2967 -0.0324 0.0110  -0.0249 885  SER A O   \n1324 C CB  . SER A 190 ? 0.2445 0.3656 0.2884 -0.0152 0.0010  -0.0293 885  SER A CB  \n1325 O OG  . SER A 190 ? 0.2433 0.3559 0.2844 -0.0071 0.0005  -0.0324 885  SER A OG  \n1326 N N   . ILE A 191 ? 0.2171 0.3789 0.2871 -0.0273 0.0012  -0.0272 886  ILE A N   \n1327 C CA  . ILE A 191 ? 0.2378 0.4143 0.3154 -0.0383 0.0010  -0.0245 886  ILE A CA  \n1328 C C   . ILE A 191 ? 0.2602 0.4637 0.3510 -0.0390 0.0080  -0.0253 886  ILE A C   \n1329 O O   . ILE A 191 ? 0.2525 0.4621 0.3414 -0.0496 0.0125  -0.0222 886  ILE A O   \n1330 C CB  . ILE A 191 ? 0.2176 0.3997 0.3042 -0.0393 -0.0069 -0.0246 886  ILE A CB  \n1331 C CG1 . ILE A 191 ? 0.2304 0.3857 0.3022 -0.0393 -0.0130 -0.0239 886  ILE A CG1 \n1332 C CG2 . ILE A 191 ? 0.2549 0.4560 0.3515 -0.0520 -0.0076 -0.0224 886  ILE A CG2 \n1333 C CD1 . ILE A 191 ? 0.1870 0.3458 0.2649 -0.0372 -0.0211 -0.0246 886  ILE A CD1 \n1334 N N   . LEU A 192 ? 0.2399 0.4579 0.3428 -0.0275 0.0095  -0.0293 887  LEU A N   \n1335 C CA  . LEU A 192 ? 0.1967 0.4433 0.3146 -0.0262 0.0162  -0.0307 887  LEU A CA  \n1336 C C   . LEU A 192 ? 0.1886 0.4347 0.2974 -0.0256 0.0254  -0.0316 887  LEU A C   \n1337 O O   . LEU A 192 ? 0.2236 0.4893 0.3387 -0.0306 0.0325  -0.0306 887  LEU A O   \n1338 C CB  . LEU A 192 ? 0.2305 0.4911 0.3634 -0.0123 0.0147  -0.0349 887  LEU A CB  \n1339 C CG  . LEU A 192 ? 0.2180 0.4836 0.3612 -0.0109 0.0054  -0.0338 887  LEU A CG  \n1340 C CD1 . LEU A 192 ? 0.2608 0.5393 0.4174 0.0047  0.0052  -0.0373 887  LEU A CD1 \n1341 C CD2 . LEU A 192 ? 0.2361 0.5215 0.3899 -0.0240 0.0032  -0.0303 887  LEU A CD2 \n1342 N N   . HIS A 193 ? 0.1854 0.4101 0.2793 -0.0198 0.0252  -0.0336 888  HIS A N   \n1343 C CA  . HIS A 193 ? 0.1943 0.4200 0.2794 -0.0169 0.0330  -0.0358 888  HIS A CA  \n1344 C C   . HIS A 193 ? 0.2375 0.4393 0.3017 -0.0196 0.0320  -0.0337 888  HIS A C   \n1345 O O   . HIS A 193 ? 0.2295 0.4290 0.2837 -0.0162 0.0365  -0.0359 888  HIS A O   \n1346 C CB  . HIS A 193 ? 0.1858 0.4171 0.2769 -0.0029 0.0353  -0.0429 888  HIS A CB  \n1347 C CG  . HIS A 193 ? 0.1999 0.4574 0.3109 0.0021  0.0383  -0.0449 888  HIS A CG  \n1348 N ND1 . HIS A 193 ? 0.2346 0.5162 0.3534 -0.0015 0.0467  -0.0442 888  HIS A ND1 \n1349 C CD2 . HIS A 193 ? 0.1845 0.4487 0.3092 0.0112  0.0342  -0.0472 888  HIS A CD2 \n1350 C CE1 . HIS A 193 ? 0.2153 0.5196 0.3537 0.0055  0.0475  -0.0463 888  HIS A CE1 \n1351 N NE2 . HIS A 193 ? 0.1967 0.4901 0.3385 0.0136  0.0396  -0.0479 888  HIS A NE2 \n1352 N N   . ARG A 194 ? 0.2413 0.4260 0.2983 -0.0254 0.0260  -0.0295 889  ARG A N   \n1353 C CA  . ARG A 194 ? 0.2556 0.4179 0.2938 -0.0265 0.0243  -0.0270 889  ARG A CA  \n1354 C C   . ARG A 194 ? 0.2482 0.4027 0.2808 -0.0163 0.0234  -0.0320 889  ARG A C   \n1355 O O   . ARG A 194 ? 0.2790 0.4257 0.2980 -0.0158 0.0248  -0.0312 889  ARG A O   \n1356 C CB  . ARG A 194 ? 0.2704 0.4320 0.2966 -0.0349 0.0300  -0.0218 889  ARG A CB  \n1357 C CG  . ARG A 194 ? 0.3017 0.4714 0.3334 -0.0473 0.0318  -0.0170 889  ARG A CG  \n1358 C CD  . ARG A 194 ? 0.3735 0.5324 0.3880 -0.0564 0.0362  -0.0104 889  ARG A CD  \n1359 N NE  . ARG A 194 ? 0.4489 0.6133 0.4681 -0.0703 0.0379  -0.0058 889  ARG A NE  \n1360 C CZ  . ARG A 194 ? 0.4972 0.6832 0.5247 -0.0779 0.0453  -0.0043 889  ARG A CZ  \n1361 N NH1 . ARG A 194 ? 0.4739 0.6772 0.5043 -0.0719 0.0526  -0.0070 889  ARG A NH1 \n1362 N NH2 . ARG A 194 ? 0.5646 0.7549 0.5969 -0.0923 0.0459  -0.0002 889  ARG A NH2 \n1363 N N   . ILE A 195 ? 0.2369 0.3943 0.2800 -0.0086 0.0209  -0.0370 890  ILE A N   \n1364 C CA  . ILE A 195 ? 0.2539 0.4027 0.2931 -0.0006 0.0193  -0.0422 890  ILE A CA  \n1365 C C   . ILE A 195 ? 0.2395 0.3707 0.2742 -0.0003 0.0129  -0.0404 890  ILE A C   \n1366 O O   . ILE A 195 ? 0.2144 0.3425 0.2556 -0.0005 0.0092  -0.0390 890  ILE A O   \n1367 C CB  . ILE A 195 ? 0.2524 0.4099 0.3038 0.0077  0.0205  -0.0483 890  ILE A CB  \n1368 C CG1 . ILE A 195 ? 0.2597 0.4361 0.3162 0.0093  0.0279  -0.0510 890  ILE A CG1 \n1369 C CG2 . ILE A 195 ? 0.2914 0.4361 0.3379 0.0141  0.0183  -0.0537 890  ILE A CG2 \n1370 C CD1 . ILE A 195 ? 0.3414 0.5278 0.4115 0.0184  0.0293  -0.0559 890  ILE A CD1 \n1371 N N   . TYR A 196 ? 0.2333 0.3542 0.2568 0.0007  0.0117  -0.0404 891  TYR A N   \n1372 C CA  . TYR A 196 ? 0.2652 0.3716 0.2849 0.0018  0.0066  -0.0388 891  TYR A CA  \n1373 C C   . TYR A 196 ? 0.2509 0.3547 0.2694 0.0070  0.0055  -0.0441 891  TYR A C   \n1374 O O   . TYR A 196 ? 0.2869 0.3941 0.2986 0.0077  0.0070  -0.0463 891  TYR A O   \n1375 C CB  . TYR A 196 ? 0.2503 0.3470 0.2579 -0.0021 0.0056  -0.0328 891  TYR A CB  \n1376 C CG  . TYR A 196 ? 0.2584 0.3531 0.2649 -0.0091 0.0062  -0.0276 891  TYR A CG  \n1377 C CD1 . TYR A 196 ? 0.3188 0.4033 0.3260 -0.0109 0.0025  -0.0254 891  TYR A CD1 \n1378 C CD2 . TYR A 196 ? 0.3214 0.4240 0.3252 -0.0148 0.0106  -0.0250 891  TYR A CD2 \n1379 C CE1 . TYR A 196 ? 0.3707 0.4524 0.3759 -0.0188 0.0025  -0.0214 891  TYR A CE1 \n1380 C CE2 . TYR A 196 ? 0.3387 0.4397 0.3419 -0.0234 0.0111  -0.0204 891  TYR A CE2 \n1381 C CZ  . TYR A 196 ? 0.4169 0.5071 0.4208 -0.0255 0.0066  -0.0190 891  TYR A CZ  \n1382 O OH  . TYR A 196 ? 0.4076 0.4951 0.4098 -0.0352 0.0067  -0.0152 891  TYR A OH  \n1383 N N   . THR A 197 ? 0.2551 0.3530 0.2797 0.0098  0.0029  -0.0461 892  THR A N   \n1384 C CA  . THR A 197 ? 0.2406 0.3348 0.2653 0.0129  0.0016  -0.0511 892  THR A CA  \n1385 C C   . THR A 197 ? 0.2610 0.3454 0.2872 0.0132  -0.0017 -0.0490 892  THR A C   \n1386 O O   . THR A 197 ? 0.2586 0.3380 0.2843 0.0119  -0.0029 -0.0442 892  THR A O   \n1387 C CB  . THR A 197 ? 0.2531 0.3499 0.2846 0.0167  0.0037  -0.0574 892  THR A CB  \n1388 O OG1 . THR A 197 ? 0.3012 0.3949 0.3404 0.0184  0.0027  -0.0556 892  THR A OG1 \n1389 C CG2 . THR A 197 ? 0.2637 0.3717 0.2946 0.0177  0.0082  -0.0601 892  THR A CG2 \n1390 N N   . HIS A 198 ? 0.2432 0.3247 0.2709 0.0144  -0.0028 -0.0529 893  HIS A N   \n1391 C CA  . HIS A 198 ? 0.2586 0.3323 0.2887 0.0145  -0.0047 -0.0509 893  HIS A CA  \n1392 C C   . HIS A 198 ? 0.2415 0.3093 0.2764 0.0157  -0.0042 -0.0500 893  HIS A C   \n1393 O O   . HIS A 198 ? 0.2210 0.2821 0.2556 0.0157  -0.0051 -0.0464 893  HIS A O   \n1394 C CB  . HIS A 198 ? 0.3111 0.3849 0.3431 0.0138  -0.0057 -0.0552 893  HIS A CB  \n1395 C CG  . HIS A 198 ? 0.2911 0.3726 0.3183 0.0132  -0.0075 -0.0557 893  HIS A CG  \n1396 N ND1 . HIS A 198 ? 0.3589 0.4412 0.3822 0.0142  -0.0091 -0.0502 893  HIS A ND1 \n1397 C CD2 . HIS A 198 ? 0.4269 0.5146 0.4507 0.0124  -0.0083 -0.0607 893  HIS A CD2 \n1398 C CE1 . HIS A 198 ? 0.3846 0.4744 0.4031 0.0145  -0.0112 -0.0512 893  HIS A CE1 \n1399 N NE2 . HIS A 198 ? 0.3590 0.4526 0.3775 0.0129  -0.0110 -0.0577 893  HIS A NE2 \n1400 N N   . GLN A 199 ? 0.2393 0.3102 0.2778 0.0177  -0.0027 -0.0531 894  GLN A N   \n1401 C CA  . GLN A 199 ? 0.2262 0.2936 0.2694 0.0204  -0.0030 -0.0517 894  GLN A CA  \n1402 C C   . GLN A 199 ? 0.1863 0.2576 0.2298 0.0189  -0.0044 -0.0467 894  GLN A C   \n1403 O O   . GLN A 199 ? 0.2116 0.2779 0.2563 0.0199  -0.0065 -0.0440 894  GLN A O   \n1404 C CB  . GLN A 199 ? 0.2608 0.3295 0.3083 0.0248  -0.0010 -0.0567 894  GLN A CB  \n1405 C CG  . GLN A 199 ? 0.2486 0.3080 0.2945 0.0250  -0.0002 -0.0620 894  GLN A CG  \n1406 C CD  . GLN A 199 ? 0.3212 0.3690 0.3666 0.0233  -0.0015 -0.0592 894  GLN A CD  \n1407 O OE1 . GLN A 199 ? 0.3011 0.3482 0.3448 0.0193  -0.0021 -0.0589 894  GLN A OE1 \n1408 N NE2 . GLN A 199 ? 0.3005 0.3403 0.3473 0.0267  -0.0019 -0.0568 894  GLN A NE2 \n1409 N N   . SER A 200 ? 0.2138 0.2929 0.2549 0.0158  -0.0036 -0.0452 895  SER A N   \n1410 C CA  . SER A 200 ? 0.2069 0.2876 0.2468 0.0120  -0.0051 -0.0405 895  SER A CA  \n1411 C C   . SER A 200 ? 0.2291 0.2975 0.2612 0.0101  -0.0072 -0.0370 895  SER A C   \n1412 O O   . SER A 200 ? 0.2442 0.3080 0.2744 0.0081  -0.0095 -0.0341 895  SER A O   \n1413 C CB  . SER A 200 ? 0.2529 0.3442 0.2920 0.0081  -0.0028 -0.0395 895  SER A CB  \n1414 O OG  . SER A 200 ? 0.2378 0.3267 0.2686 0.0064  -0.0014 -0.0389 895  SER A OG  \n1415 N N   . ASP A 201 ? 0.2241 0.2880 0.2520 0.0111  -0.0065 -0.0377 896  ASP A N   \n1416 C CA  . ASP A 201 ? 0.2189 0.2722 0.2408 0.0113  -0.0076 -0.0348 896  ASP A CA  \n1417 C C   . ASP A 201 ? 0.1804 0.2266 0.2042 0.0132  -0.0084 -0.0347 896  ASP A C   \n1418 O O   . ASP A 201 ? 0.2215 0.2591 0.2395 0.0128  -0.0093 -0.0319 896  ASP A O   \n1419 C CB  . ASP A 201 ? 0.2204 0.2742 0.2401 0.0130  -0.0070 -0.0356 896  ASP A CB  \n1420 C CG  . ASP A 201 ? 0.2372 0.2925 0.2496 0.0121  -0.0069 -0.0331 896  ASP A CG  \n1421 O OD1 . ASP A 201 ? 0.2885 0.3474 0.2998 0.0141  -0.0073 -0.0339 896  ASP A OD1 \n1422 O OD2 . ASP A 201 ? 0.2700 0.3224 0.2773 0.0091  -0.0068 -0.0301 896  ASP A OD2 \n1423 N N   . VAL A 202 ? 0.1947 0.2429 0.2249 0.0153  -0.0078 -0.0378 897  VAL A N   \n1424 C CA  . VAL A 202 ? 0.1895 0.2296 0.2202 0.0172  -0.0083 -0.0369 897  VAL A CA  \n1425 C C   . VAL A 202 ? 0.2098 0.2484 0.2384 0.0169  -0.0113 -0.0340 897  VAL A C   \n1426 O O   . VAL A 202 ? 0.2158 0.2454 0.2389 0.0172  -0.0124 -0.0315 897  VAL A O   \n1427 C CB  . VAL A 202 ? 0.2044 0.2440 0.2408 0.0197  -0.0070 -0.0406 897  VAL A CB  \n1428 C CG1 . VAL A 202 ? 0.2201 0.2497 0.2551 0.0220  -0.0078 -0.0383 897  VAL A CG1 \n1429 C CG2 . VAL A 202 ? 0.2378 0.2770 0.2752 0.0183  -0.0050 -0.0435 897  VAL A CG2 \n1430 N N   . TRP A 203 ? 0.2193 0.2680 0.2522 0.0159  -0.0125 -0.0344 898  TRP A N   \n1431 C CA  . TRP A 203 ? 0.2334 0.2841 0.2658 0.0141  -0.0162 -0.0319 898  TRP A CA  \n1432 C C   . TRP A 203 ? 0.2109 0.2518 0.2325 0.0098  -0.0175 -0.0292 898  TRP A C   \n1433 O O   . TRP A 203 ? 0.2228 0.2563 0.2387 0.0095  -0.0205 -0.0274 898  TRP A O   \n1434 C CB  . TRP A 203 ? 0.1898 0.2565 0.2303 0.0123  -0.0163 -0.0328 898  TRP A CB  \n1435 C CG  . TRP A 203 ? 0.1935 0.2668 0.2362 0.0092  -0.0208 -0.0306 898  TRP A CG  \n1436 C CD1 . TRP A 203 ? 0.2190 0.2863 0.2538 0.0029  -0.0237 -0.0283 898  TRP A CD1 \n1437 C CD2 . TRP A 203 ? 0.2347 0.3227 0.2885 0.0121  -0.0230 -0.0310 898  TRP A CD2 \n1438 N NE1 . TRP A 203 ? 0.2417 0.3198 0.2821 0.0002  -0.0283 -0.0274 898  TRP A NE1 \n1439 C CE2 . TRP A 203 ? 0.2139 0.3065 0.2670 0.0063  -0.0280 -0.0287 898  TRP A CE2 \n1440 C CE3 . TRP A 203 ? 0.2006 0.2985 0.2647 0.0195  -0.0213 -0.0334 898  TRP A CE3 \n1441 C CZ2 . TRP A 203 ? 0.2180 0.3279 0.2823 0.0076  -0.0320 -0.0283 898  TRP A CZ2 \n1442 C CZ3 . TRP A 203 ? 0.2473 0.3611 0.3220 0.0223  -0.0246 -0.0327 898  TRP A CZ3 \n1443 C CH2 . TRP A 203 ? 0.2995 0.4209 0.3752 0.0163  -0.0301 -0.0300 898  TRP A CH2 \n1444 N N   . SER A 204 ? 0.2237 0.2635 0.2412 0.0070  -0.0154 -0.0289 899  SER A N   \n1445 C CA  . SER A 204 ? 0.1885 0.2165 0.1945 0.0039  -0.0161 -0.0266 899  SER A CA  \n1446 C C   . SER A 204 ? 0.2572 0.2728 0.2563 0.0077  -0.0152 -0.0260 899  SER A C   \n1447 O O   . SER A 204 ? 0.2622 0.2664 0.2511 0.0063  -0.0165 -0.0246 899  SER A O   \n1448 C CB  . SER A 204 ? 0.2484 0.2763 0.2507 0.0021  -0.0138 -0.0258 899  SER A CB  \n1449 O OG  . SER A 204 ? 0.2687 0.3082 0.2764 -0.0020 -0.0136 -0.0260 899  SER A OG  \n1450 N N   . TYR A 205 ? 0.2149 0.2328 0.2193 0.0117  -0.0125 -0.0273 900  TYR A N   \n1451 C CA  . TYR A 205 ? 0.2475 0.2567 0.2479 0.0147  -0.0106 -0.0266 900  TYR A CA  \n1452 C C   . TYR A 205 ? 0.2435 0.2459 0.2391 0.0149  -0.0129 -0.0253 900  TYR A C   \n1453 O O   . TYR A 205 ? 0.2532 0.2447 0.2386 0.0156  -0.0123 -0.0238 900  TYR A O   \n1454 C CB  . TYR A 205 ? 0.2393 0.2540 0.2482 0.0169  -0.0077 -0.0285 900  TYR A CB  \n1455 C CG  . TYR A 205 ? 0.2232 0.2310 0.2296 0.0187  -0.0047 -0.0275 900  TYR A CG  \n1456 C CD1 . TYR A 205 ? 0.2473 0.2499 0.2536 0.0193  -0.0045 -0.0267 900  TYR A CD1 \n1457 C CD2 . TYR A 205 ? 0.2347 0.2416 0.2389 0.0202  -0.0016 -0.0267 900  TYR A CD2 \n1458 C CE1 . TYR A 205 ? 0.2669 0.2628 0.2700 0.0200  -0.0008 -0.0251 900  TYR A CE1 \n1459 C CE2 . TYR A 205 ? 0.2597 0.2627 0.2627 0.0215  0.0024  -0.0256 900  TYR A CE2 \n1460 C CZ  . TYR A 205 ? 0.2368 0.2340 0.2390 0.0206  0.0031  -0.0247 900  TYR A CZ  \n1461 O OH  . TYR A 205 ? 0.2818 0.2746 0.2818 0.0209  0.0079  -0.0230 900  TYR A OH  \n1462 N N   . GLY A 206 ? 0.2260 0.2350 0.2284 0.0153  -0.0155 -0.0258 901  GLY A N   \n1463 C CA  . GLY A 206 ? 0.2479 0.2524 0.2458 0.0161  -0.0193 -0.0240 901  GLY A CA  \n1464 C C   . GLY A 206 ? 0.2294 0.2283 0.2168 0.0123  -0.0230 -0.0230 901  GLY A C   \n1465 O O   . GLY A 206 ? 0.2707 0.2590 0.2471 0.0130  -0.0243 -0.0215 901  GLY A O   \n1466 N N   . VAL A 207 ? 0.2526 0.2573 0.2419 0.0076  -0.0245 -0.0238 902  VAL A N   \n1467 C CA  . VAL A 207 ? 0.2598 0.2570 0.2382 0.0021  -0.0280 -0.0234 902  VAL A CA  \n1468 C C   . VAL A 207 ? 0.2756 0.2552 0.2391 0.0032  -0.0248 -0.0231 902  VAL A C   \n1469 O O   . VAL A 207 ? 0.2847 0.2524 0.2349 0.0017  -0.0272 -0.0231 902  VAL A O   \n1470 C CB  . VAL A 207 ? 0.2462 0.2524 0.2296 -0.0046 -0.0294 -0.0238 902  VAL A CB  \n1471 C CG1 . VAL A 207 ? 0.2859 0.2819 0.2567 -0.0119 -0.0335 -0.0238 902  VAL A CG1 \n1472 C CG2 . VAL A 207 ? 0.2431 0.2692 0.2420 -0.0047 -0.0317 -0.0243 902  VAL A CG2 \n1473 N N   . THR A 208 ? 0.2573 0.2359 0.2229 0.0065  -0.0195 -0.0232 903  THR A N   \n1474 C CA  . THR A 208 ? 0.2635 0.2285 0.2178 0.0099  -0.0154 -0.0228 903  THR A CA  \n1475 C C   . THR A 208 ? 0.2642 0.2217 0.2117 0.0135  -0.0139 -0.0223 903  THR A C   \n1476 O O   . THR A 208 ? 0.3099 0.2533 0.2424 0.0141  -0.0132 -0.0224 903  THR A O   \n1477 C CB  . THR A 208 ? 0.2751 0.2460 0.2366 0.0136  -0.0109 -0.0227 903  THR A CB  \n1478 O OG1 . THR A 208 ? 0.2588 0.2346 0.2234 0.0102  -0.0122 -0.0226 903  THR A OG1 \n1479 C CG2 . THR A 208 ? 0.2896 0.2492 0.2413 0.0187  -0.0065 -0.0222 903  THR A CG2 \n1480 N N   . VAL A 209 ? 0.2553 0.2205 0.2119 0.0157  -0.0131 -0.0217 904  VAL A N   \n1481 C CA  . VAL A 209 ? 0.2738 0.2313 0.2230 0.0184  -0.0112 -0.0202 904  VAL A CA  \n1482 C C   . VAL A 209 ? 0.2968 0.2458 0.2328 0.0163  -0.0167 -0.0197 904  VAL A C   \n1483 O O   . VAL A 209 ? 0.3240 0.2604 0.2450 0.0179  -0.0149 -0.0191 904  VAL A O   \n1484 C CB  . VAL A 209 ? 0.3086 0.2733 0.2690 0.0203  -0.0094 -0.0192 904  VAL A CB  \n1485 C CG1 . VAL A 209 ? 0.3323 0.2873 0.2831 0.0223  -0.0081 -0.0166 904  VAL A CG1 \n1486 C CG2 . VAL A 209 ? 0.3133 0.2852 0.2842 0.0214  -0.0038 -0.0203 904  VAL A CG2 \n1487 N N   . TRP A 210 ? 0.2974 0.2543 0.2388 0.0128  -0.0233 -0.0201 905  TRP A N   \n1488 C CA  . TRP A 210 ? 0.3086 0.2610 0.2393 0.0096  -0.0303 -0.0201 905  TRP A CA  \n1489 C C   . TRP A 210 ? 0.3022 0.2395 0.2158 0.0061  -0.0303 -0.0221 905  TRP A C   \n1490 O O   . TRP A 210 ? 0.3405 0.2657 0.2374 0.0059  -0.0325 -0.0223 905  TRP A O   \n1491 C CB  . TRP A 210 ? 0.3043 0.2726 0.2477 0.0060  -0.0369 -0.0205 905  TRP A CB  \n1492 C CG  . TRP A 210 ? 0.3025 0.2709 0.2382 0.0024  -0.0454 -0.0204 905  TRP A CG  \n1493 C CD1 . TRP A 210 ? 0.3178 0.2900 0.2530 0.0060  -0.0505 -0.0182 905  TRP A CD1 \n1494 C CD2 . TRP A 210 ? 0.3226 0.2864 0.2488 -0.0057 -0.0504 -0.0226 905  TRP A CD2 \n1495 N NE1 . TRP A 210 ? 0.3624 0.3358 0.2897 0.0008  -0.0592 -0.0190 905  TRP A NE1 \n1496 C CE2 . TRP A 210 ? 0.3674 0.3352 0.2889 -0.0072 -0.0592 -0.0221 905  TRP A CE2 \n1497 C CE3 . TRP A 210 ? 0.3575 0.3130 0.2777 -0.0119 -0.0486 -0.0248 905  TRP A CE3 \n1498 C CZ2 . TRP A 210 ? 0.3908 0.3561 0.3028 -0.0161 -0.0664 -0.0244 905  TRP A CZ2 \n1499 C CZ3 . TRP A 210 ? 0.3848 0.3346 0.2944 -0.0209 -0.0551 -0.0270 905  TRP A CZ3 \n1500 C CH2 . TRP A 210 ? 0.3900 0.3456 0.2962 -0.0235 -0.0641 -0.0272 905  TRP A CH2 \n1501 N N   . GLU A 211 ? 0.3044 0.2404 0.2201 0.0041  -0.0276 -0.0234 906  GLU A N   \n1502 C CA  . GLU A 211 ? 0.3330 0.2510 0.2311 0.0019  -0.0268 -0.0253 906  GLU A CA  \n1503 C C   . GLU A 211 ? 0.3760 0.2797 0.2601 0.0084  -0.0208 -0.0254 906  GLU A C   \n1504 O O   . GLU A 211 ? 0.3866 0.2736 0.2512 0.0072  -0.0220 -0.0273 906  GLU A O   \n1505 C CB  . GLU A 211 ? 0.3487 0.2661 0.2510 0.0007  -0.0238 -0.0256 906  GLU A CB  \n1506 C CG  . GLU A 211 ? 0.3525 0.2796 0.2633 -0.0075 -0.0286 -0.0257 906  GLU A CG  \n1507 C CD  . GLU A 211 ? 0.3858 0.3088 0.2970 -0.0079 -0.0247 -0.0250 906  GLU A CD  \n1508 O OE1 . GLU A 211 ? 0.3873 0.2930 0.2840 -0.0119 -0.0251 -0.0259 906  GLU A OE1 \n1509 O OE2 . GLU A 211 ? 0.3398 0.2746 0.2637 -0.0035 -0.0212 -0.0237 906  GLU A OE2 \n1510 N N   . LEU A 212 ? 0.3437 0.2541 0.2371 0.0147  -0.0143 -0.0236 907  LEU A N   \n1511 C CA  . LEU A 212 ? 0.3685 0.2691 0.2513 0.0209  -0.0072 -0.0233 907  LEU A CA  \n1512 C C   . LEU A 212 ? 0.3531 0.2467 0.2229 0.0209  -0.0090 -0.0225 907  LEU A C   \n1513 O O   . LEU A 212 ? 0.4034 0.2817 0.2541 0.0229  -0.0065 -0.0238 907  LEU A O   \n1514 C CB  . LEU A 212 ? 0.3556 0.2685 0.2539 0.0258  -0.0002 -0.0215 907  LEU A CB  \n1515 C CG  . LEU A 212 ? 0.3626 0.2839 0.2732 0.0270  0.0015  -0.0220 907  LEU A CG  \n1516 C CD1 . LEU A 212 ? 0.3796 0.3137 0.3041 0.0314  0.0079  -0.0207 907  LEU A CD1 \n1517 C CD2 . LEU A 212 ? 0.3906 0.2972 0.2873 0.0293  0.0029  -0.0234 907  LEU A CD2 \n1518 N N   . MET A 213 ? 0.3648 0.2687 0.2438 0.0192  -0.0135 -0.0203 908  MET A N   \n1519 C CA  . MET A 213 ? 0.3634 0.2615 0.2307 0.0203  -0.0154 -0.0182 908  MET A CA  \n1520 C C   . MET A 213 ? 0.3806 0.2685 0.2297 0.0163  -0.0234 -0.0202 908  MET A C   \n1521 O O   . MET A 213 ? 0.4214 0.3002 0.2540 0.0178  -0.0246 -0.0189 908  MET A O   \n1522 C CB  . MET A 213 ? 0.3858 0.2965 0.2678 0.0209  -0.0185 -0.0150 908  MET A CB  \n1523 C CG  . MET A 213 ? 0.3918 0.3105 0.2896 0.0236  -0.0110 -0.0136 908  MET A CG  \n1524 S SD  . MET A 213 ? 0.4543 0.3637 0.3422 0.0274  -0.0001 -0.0113 908  MET A SD  \n1525 C CE  . MET A 213 ? 0.4794 0.4031 0.3910 0.0275  0.0059  -0.0108 908  MET A CE  \n1526 N N   . THR A 214 ? 0.4146 0.3041 0.2659 0.0106  -0.0290 -0.0231 909  THR A N   \n1527 C CA  . THR A 214 ? 0.4325 0.3120 0.2667 0.0046  -0.0370 -0.0260 909  THR A CA  \n1528 C C   . THR A 214 ? 0.4825 0.3415 0.2977 0.0039  -0.0330 -0.0301 909  THR A C   \n1529 O O   . THR A 214 ? 0.5049 0.3524 0.3046 -0.0025 -0.0392 -0.0337 909  THR A O   \n1530 C CB  . THR A 214 ? 0.4412 0.3346 0.2884 -0.0033 -0.0462 -0.0270 909  THR A CB  \n1531 O OG1 . THR A 214 ? 0.4075 0.3040 0.2659 -0.0056 -0.0424 -0.0281 909  THR A OG1 \n1532 C CG2 . THR A 214 ? 0.4139 0.3274 0.2787 -0.0011 -0.0507 -0.0234 909  THR A CG2 \n1533 N N   . PHE A 215 ? 0.4594 0.3137 0.2758 0.0106  -0.0228 -0.0297 910  PHE A N   \n1534 C CA  . PHE A 215 ? 0.4637 0.2984 0.2636 0.0128  -0.0175 -0.0331 910  PHE A CA  \n1535 C C   . PHE A 215 ? 0.4789 0.3072 0.2778 0.0056  -0.0222 -0.0359 910  PHE A C   \n1536 O O   . PHE A 215 ? 0.5084 0.3150 0.2865 0.0032  -0.0229 -0.0399 910  PHE A O   \n1537 C CB  . PHE A 215 ? 0.5022 0.3176 0.2748 0.0150  -0.0161 -0.0356 910  PHE A CB  \n1538 C CG  . PHE A 215 ? 0.5016 0.3221 0.2739 0.0216  -0.0099 -0.0321 910  PHE A CG  \n1539 C CD1 . PHE A 215 ? 0.5055 0.3269 0.2818 0.0299  0.0019  -0.0308 910  PHE A CD1 \n1540 C CD2 . PHE A 215 ? 0.5253 0.3512 0.2949 0.0196  -0.0157 -0.0295 910  PHE A CD2 \n1541 C CE1 . PHE A 215 ? 0.5390 0.3658 0.3159 0.0345  0.0085  -0.0272 910  PHE A CE1 \n1542 C CE2 . PHE A 215 ? 0.5718 0.4002 0.3399 0.0251  -0.0092 -0.0253 910  PHE A CE2 \n1543 C CZ  . PHE A 215 ? 0.5539 0.3826 0.3257 0.0318  0.0033  -0.0243 910  PHE A CZ  \n1544 N N   . GLY A 216 ? 0.4535 0.2997 0.2740 0.0017  -0.0253 -0.0338 911  GLY A N   \n1545 C CA  . GLY A 216 ? 0.4619 0.3039 0.2840 -0.0050 -0.0278 -0.0351 911  GLY A CA  \n1546 C C   . GLY A 216 ? 0.4519 0.2971 0.2732 -0.0172 -0.0378 -0.0368 911  GLY A C   \n1547 O O   . GLY A 216 ? 0.4728 0.3062 0.2866 -0.0248 -0.0398 -0.0389 911  GLY A O   \n1548 N N   . SER A 217 ? 0.4229 0.2849 0.2532 -0.0194 -0.0441 -0.0356 912  SER A N   \n1549 C CA  . SER A 217 ? 0.4525 0.3251 0.2882 -0.0308 -0.0539 -0.0367 912  SER A CA  \n1550 C C   . SER A 217 ? 0.4401 0.3283 0.2961 -0.0355 -0.0532 -0.0349 912  SER A C   \n1551 O O   . SER A 217 ? 0.4310 0.3280 0.3007 -0.0288 -0.0468 -0.0323 912  SER A O   \n1552 C CB  . SER A 217 ? 0.4803 0.3698 0.3225 -0.0296 -0.0609 -0.0351 912  SER A CB  \n1553 O OG  . SER A 217 ? 0.5088 0.3823 0.3285 -0.0270 -0.0626 -0.0367 912  SER A OG  \n1554 N N   . LYS A 218 ? 0.4873 0.3792 0.3446 -0.0478 -0.0597 -0.0365 913  LYS A N   \n1555 C CA  . LYS A 218 ? 0.4575 0.3657 0.3334 -0.0537 -0.0589 -0.0346 913  LYS A CA  \n1556 C C   . LYS A 218 ? 0.4357 0.3752 0.3348 -0.0527 -0.0632 -0.0325 913  LYS A C   \n1557 O O   . LYS A 218 ? 0.4553 0.4039 0.3546 -0.0561 -0.0715 -0.0335 913  LYS A O   \n1558 C CB  . LYS A 218 ? 0.5070 0.4054 0.3740 -0.0688 -0.0632 -0.0370 913  LYS A CB  \n1559 C CG  . LYS A 218 ? 0.5694 0.4331 0.4116 -0.0693 -0.0587 -0.0393 913  LYS A CG  \n1560 C CD  . LYS A 218 ? 0.7038 0.5522 0.5310 -0.0851 -0.0649 -0.0431 913  LYS A CD  \n1561 C CE  . LYS A 218 ? 0.7630 0.6178 0.6005 -0.0969 -0.0641 -0.0410 913  LYS A CE  \n1562 N NZ  . LYS A 218 ? 0.9052 0.7373 0.7327 -0.0924 -0.0552 -0.0388 913  LYS A NZ  \n1563 N N   . PRO A 219 ? 0.4210 0.3767 0.3387 -0.0472 -0.0579 -0.0298 914  PRO A N   \n1564 C CA  . PRO A 219 ? 0.3991 0.3824 0.3380 -0.0442 -0.0609 -0.0282 914  PRO A CA  \n1565 C C   . PRO A 219 ? 0.3976 0.4003 0.3480 -0.0556 -0.0675 -0.0288 914  PRO A C   \n1566 O O   . PRO A 219 ? 0.4291 0.4296 0.3793 -0.0654 -0.0658 -0.0291 914  PRO A O   \n1567 C CB  . PRO A 219 ? 0.3843 0.3757 0.3365 -0.0370 -0.0528 -0.0263 914  PRO A CB  \n1568 C CG  . PRO A 219 ? 0.3795 0.3541 0.3217 -0.0402 -0.0473 -0.0264 914  PRO A CG  \n1569 C CD  . PRO A 219 ? 0.4219 0.3705 0.3406 -0.0438 -0.0495 -0.0284 914  PRO A CD  \n1570 N N   . TYR A 220 ? 0.4012 0.4228 0.3614 -0.0541 -0.0749 -0.0285 915  TYR A N   \n1571 C CA  . TYR A 220 ? 0.4246 0.4710 0.3995 -0.0638 -0.0820 -0.0289 915  TYR A CA  \n1572 C C   . TYR A 220 ? 0.4784 0.5123 0.4398 -0.0796 -0.0862 -0.0316 915  TYR A C   \n1573 O O   . TYR A 220 ? 0.5166 0.5627 0.4881 -0.0911 -0.0860 -0.0317 915  TYR A O   \n1574 C CB  . TYR A 220 ? 0.3860 0.4563 0.3840 -0.0639 -0.0767 -0.0273 915  TYR A CB  \n1575 C CG  . TYR A 220 ? 0.3802 0.4563 0.3882 -0.0496 -0.0702 -0.0255 915  TYR A CG  \n1576 C CD1 . TYR A 220 ? 0.3701 0.4632 0.3904 -0.0394 -0.0736 -0.0244 915  TYR A CD1 \n1577 C CD2 . TYR A 220 ? 0.3531 0.4172 0.3578 -0.0463 -0.0610 -0.0251 915  TYR A CD2 \n1578 C CE1 . TYR A 220 ? 0.3642 0.4591 0.3921 -0.0271 -0.0673 -0.0234 915  TYR A CE1 \n1579 C CE2 . TYR A 220 ? 0.3656 0.4343 0.3787 -0.0347 -0.0555 -0.0243 915  TYR A CE2 \n1580 C CZ  . TYR A 220 ? 0.3397 0.4227 0.3639 -0.0257 -0.0584 -0.0238 915  TYR A CZ  \n1581 O OH  . TYR A 220 ? 0.3509 0.4349 0.3815 -0.0155 -0.0527 -0.0236 915  TYR A OH  \n1582 N N   . ASP A 221 ? 0.5202 0.5285 0.4578 -0.0805 -0.0893 -0.0340 916  ASP A N   \n1583 C CA  . ASP A 221 ? 0.5925 0.5808 0.5118 -0.0949 -0.0925 -0.0375 916  ASP A CA  \n1584 C C   . ASP A 221 ? 0.6310 0.6422 0.5612 -0.1090 -0.1030 -0.0391 916  ASP A C   \n1585 O O   . ASP A 221 ? 0.6627 0.6943 0.6015 -0.1057 -0.1114 -0.0388 916  ASP A O   \n1586 C CB  . ASP A 221 ? 0.6359 0.5935 0.5267 -0.0909 -0.0939 -0.0404 916  ASP A CB  \n1587 C CG  . ASP A 221 ? 0.7068 0.6357 0.5743 -0.1039 -0.0951 -0.0447 916  ASP A CG  \n1588 O OD1 . ASP A 221 ? 0.8353 0.7441 0.6799 -0.1043 -0.0994 -0.0485 916  ASP A OD1 \n1589 O OD2 . ASP A 221 ? 0.7589 0.6833 0.6289 -0.1135 -0.0914 -0.0445 916  ASP A OD2 \n1590 N N   . GLY A 222 ? 0.6709 0.6797 0.6015 -0.1246 -0.1023 -0.0403 917  GLY A N   \n1591 C CA  . GLY A 222 ? 0.7057 0.7376 0.6481 -0.1411 -0.1115 -0.0419 917  GLY A CA  \n1592 C C   . GLY A 222 ? 0.6821 0.7542 0.6572 -0.1419 -0.1098 -0.0385 917  GLY A C   \n1593 O O   . GLY A 222 ? 0.7036 0.7989 0.6924 -0.1565 -0.1157 -0.0394 917  GLY A O   \n1594 N N   . ILE A 223 ? 0.6447 0.7257 0.6323 -0.1267 -0.1015 -0.0350 918  ILE A N   \n1595 C CA  . ILE A 223 ? 0.5934 0.7115 0.6106 -0.1245 -0.0986 -0.0322 918  ILE A CA  \n1596 C C   . ILE A 223 ? 0.5752 0.6890 0.5955 -0.1303 -0.0875 -0.0302 918  ILE A C   \n1597 O O   . ILE A 223 ? 0.5549 0.6443 0.5622 -0.1225 -0.0794 -0.0291 918  ILE A O   \n1598 C CB  . ILE A 223 ? 0.6002 0.7312 0.6289 -0.1040 -0.0967 -0.0300 918  ILE A CB  \n1599 C CG1 . ILE A 223 ? 0.6082 0.7400 0.6306 -0.0971 -0.1073 -0.0309 918  ILE A CG1 \n1600 C CG2 . ILE A 223 ? 0.5338 0.7022 0.5920 -0.1009 -0.0933 -0.0279 918  ILE A CG2 \n1601 C CD1 . ILE A 223 ? 0.6343 0.7671 0.6600 -0.0772 -0.1048 -0.0284 918  ILE A CD1 \n1602 N N   . PRO A 224 ? 0.5366 0.6748 0.5737 -0.1443 -0.0872 -0.0294 919  PRO A N   \n1603 C CA  . PRO A 224 ? 0.5199 0.6530 0.5577 -0.1506 -0.0763 -0.0268 919  PRO A CA  \n1604 C C   . PRO A 224 ? 0.4534 0.5940 0.5006 -0.1340 -0.0669 -0.0243 919  PRO A C   \n1605 O O   . PRO A 224 ? 0.4310 0.5951 0.4948 -0.1212 -0.0683 -0.0243 919  PRO A O   \n1606 C CB  . PRO A 224 ? 0.5343 0.7002 0.5929 -0.1677 -0.0781 -0.0263 919  PRO A CB  \n1607 C CG  . PRO A 224 ? 0.5519 0.7465 0.6257 -0.1668 -0.0900 -0.0285 919  PRO A CG  \n1608 C CD  . PRO A 224 ? 0.5717 0.7399 0.6246 -0.1571 -0.0970 -0.0309 919  PRO A CD  \n1609 N N   . ALA A 225 ? 0.4447 0.5643 0.4799 -0.1344 -0.0577 -0.0222 920  ALA A N   \n1610 C CA  . ALA A 225 ? 0.4270 0.5499 0.4673 -0.1203 -0.0488 -0.0202 920  ALA A CA  \n1611 C C   . ALA A 225 ? 0.4015 0.5634 0.4682 -0.1187 -0.0452 -0.0193 920  ALA A C   \n1612 O O   . ALA A 225 ? 0.3555 0.5281 0.4313 -0.1039 -0.0416 -0.0195 920  ALA A O   \n1613 C CB  . ALA A 225 ? 0.4350 0.5301 0.4571 -0.1232 -0.0410 -0.0177 920  ALA A CB  \n1614 N N   . SER A 226 ? 0.4138 0.5969 0.4926 -0.1343 -0.0458 -0.0185 921  SER A N   \n1615 C CA  . SER A 226 ? 0.4109 0.6342 0.5162 -0.1340 -0.0415 -0.0176 921  SER A CA  \n1616 C C   . SER A 226 ? 0.3744 0.6267 0.5001 -0.1208 -0.0475 -0.0196 921  SER A C   \n1617 O O   . SER A 226 ? 0.3791 0.6601 0.5245 -0.1132 -0.0424 -0.0194 921  SER A O   \n1618 C CB  . SER A 226 ? 0.4263 0.6667 0.5404 -0.1556 -0.0411 -0.0161 921  SER A CB  \n1619 O OG  . SER A 226 ? 0.4564 0.6995 0.5711 -0.1663 -0.0527 -0.0184 921  SER A OG  \n1620 N N   . GLU A 227 ? 0.3717 0.6146 0.4908 -0.1172 -0.0578 -0.0215 922  GLU A N   \n1621 C CA  . GLU A 227 ? 0.3776 0.6435 0.5125 -0.1038 -0.0646 -0.0226 922  GLU A CA  \n1622 C C   . GLU A 227 ? 0.3176 0.5670 0.4450 -0.0836 -0.0623 -0.0229 922  GLU A C   \n1623 O O   . GLU A 227 ? 0.3414 0.6060 0.4800 -0.0705 -0.0664 -0.0232 922  GLU A O   \n1624 C CB  . GLU A 227 ? 0.3764 0.6429 0.5076 -0.1112 -0.0780 -0.0240 922  GLU A CB  \n1625 C CG  . GLU A 227 ? 0.5004 0.7851 0.6403 -0.1329 -0.0822 -0.0243 922  GLU A CG  \n1626 C CD  . GLU A 227 ? 0.6230 0.9574 0.7949 -0.1330 -0.0856 -0.0239 922  GLU A CD  \n1627 O OE1 . GLU A 227 ? 0.6791 1.0308 0.8582 -0.1456 -0.0960 -0.0250 922  GLU A OE1 \n1628 O OE2 . GLU A 227 ? 0.6212 0.9782 0.8111 -0.1205 -0.0783 -0.0227 922  GLU A OE2 \n1629 N N   . ILE A 228 ? 0.3219 0.5408 0.4306 -0.0810 -0.0556 -0.0227 923  ILE A N   \n1630 C CA  . ILE A 228 ? 0.3163 0.5165 0.4158 -0.0646 -0.0543 -0.0233 923  ILE A CA  \n1631 C C   . ILE A 228 ? 0.2925 0.5114 0.4079 -0.0501 -0.0490 -0.0237 923  ILE A C   \n1632 O O   . ILE A 228 ? 0.2780 0.4962 0.3954 -0.0370 -0.0522 -0.0242 923  ILE A O   \n1633 C CB  . ILE A 228 ? 0.2991 0.4642 0.3758 -0.0656 -0.0492 -0.0230 923  ILE A CB  \n1634 C CG1 . ILE A 228 ? 0.3551 0.4968 0.4129 -0.0759 -0.0553 -0.0233 923  ILE A CG1 \n1635 C CG2 . ILE A 228 ? 0.3521 0.5028 0.4229 -0.0497 -0.0460 -0.0236 923  ILE A CG2 \n1636 C CD1 . ILE A 228 ? 0.3583 0.4933 0.4096 -0.0704 -0.0642 -0.0245 923  ILE A CD1 \n1637 N N   . SER A 229 ? 0.3058 0.5401 0.4313 -0.0525 -0.0407 -0.0236 924  SER A N   \n1638 C CA  . SER A 229 ? 0.2866 0.5375 0.4257 -0.0387 -0.0350 -0.0250 924  SER A CA  \n1639 C C   . SER A 229 ? 0.2661 0.5437 0.4242 -0.0301 -0.0411 -0.0253 924  SER A C   \n1640 O O   . SER A 229 ? 0.2578 0.5344 0.4191 -0.0146 -0.0406 -0.0264 924  SER A O   \n1641 C CB  . SER A 229 ? 0.2655 0.5306 0.4113 -0.0434 -0.0247 -0.0250 924  SER A CB  \n1642 O OG  . SER A 229 ? 0.3074 0.6014 0.4693 -0.0548 -0.0252 -0.0237 924  SER A OG  \n1643 N N   . SER A 230 ? 0.3039 0.6049 0.4746 -0.0400 -0.0471 -0.0243 925  SER A N   \n1644 C CA  . SER A 230 ? 0.2939 0.6234 0.4839 -0.0312 -0.0541 -0.0241 925  SER A CA  \n1645 C C   . SER A 230 ? 0.2900 0.6020 0.4694 -0.0211 -0.0635 -0.0235 925  SER A C   \n1646 O O   . SER A 230 ? 0.3225 0.6452 0.5114 -0.0056 -0.0660 -0.0232 925  SER A O   \n1647 C CB  . SER A 230 ? 0.2845 0.6465 0.4918 -0.0455 -0.0591 -0.0232 925  SER A CB  \n1648 O OG  . SER A 230 ? 0.4106 0.7580 0.6046 -0.0592 -0.0686 -0.0227 925  SER A OG  \n1649 N N   . ILE A 231 ? 0.3084 0.5925 0.4668 -0.0296 -0.0682 -0.0231 926  ILE A N   \n1650 C CA  . ILE A 231 ? 0.3214 0.5840 0.4649 -0.0217 -0.0757 -0.0223 926  ILE A CA  \n1651 C C   . ILE A 231 ? 0.3138 0.5586 0.4513 -0.0053 -0.0697 -0.0224 926  ILE A C   \n1652 O O   . ILE A 231 ? 0.3119 0.5564 0.4506 0.0077  -0.0741 -0.0211 926  ILE A O   \n1653 C CB  . ILE A 231 ? 0.3555 0.5895 0.4757 -0.0347 -0.0791 -0.0226 926  ILE A CB  \n1654 C CG1 . ILE A 231 ? 0.4315 0.6810 0.5554 -0.0480 -0.0896 -0.0228 926  ILE A CG1 \n1655 C CG2 . ILE A 231 ? 0.4528 0.6544 0.5519 -0.0257 -0.0802 -0.0221 926  ILE A CG2 \n1656 C CD1 . ILE A 231 ? 0.5074 0.7284 0.6078 -0.0615 -0.0928 -0.0241 926  ILE A CD1 \n1657 N N   . LEU A 232 ? 0.2852 0.5154 0.4161 -0.0063 -0.0598 -0.0239 927  LEU A N   \n1658 C CA  . LEU A 232 ? 0.2621 0.4753 0.3872 0.0067  -0.0539 -0.0248 927  LEU A CA  \n1659 C C   . LEU A 232 ? 0.2835 0.5171 0.4260 0.0204  -0.0514 -0.0257 927  LEU A C   \n1660 O O   . LEU A 232 ? 0.2690 0.4910 0.4081 0.0335  -0.0517 -0.0255 927  LEU A O   \n1661 C CB  . LEU A 232 ? 0.2617 0.4584 0.3768 0.0017  -0.0449 -0.0264 927  LEU A CB  \n1662 C CG  . LEU A 232 ? 0.2661 0.4380 0.3619 -0.0086 -0.0460 -0.0256 927  LEU A CG  \n1663 C CD1 . LEU A 232 ? 0.2573 0.4186 0.3463 -0.0126 -0.0377 -0.0265 927  LEU A CD1 \n1664 C CD2 . LEU A 232 ? 0.2503 0.3982 0.3311 -0.0028 -0.0499 -0.0247 927  LEU A CD2 \n1665 N N   . GLU A 233 ? 0.2776 0.5403 0.4380 0.0176  -0.0483 -0.0266 928  GLU A N   \n1666 C CA  . GLU A 233 ? 0.3215 0.6069 0.4999 0.0313  -0.0454 -0.0277 928  GLU A CA  \n1667 C C   . GLU A 233 ? 0.2979 0.5940 0.4841 0.0421  -0.0551 -0.0252 928  GLU A C   \n1668 O O   . GLU A 233 ? 0.3351 0.6347 0.5280 0.0584  -0.0535 -0.0257 928  GLU A O   \n1669 C CB  . GLU A 233 ? 0.2957 0.6137 0.4926 0.0250  -0.0397 -0.0288 928  GLU A CB  \n1670 C CG  . GLU A 233 ? 0.3432 0.6515 0.5327 0.0200  -0.0283 -0.0313 928  GLU A CG  \n1671 C CD  . GLU A 233 ? 0.4284 0.7636 0.6304 0.0082  -0.0227 -0.0310 928  GLU A CD  \n1672 O OE1 . GLU A 233 ? 0.4995 0.8275 0.6941 0.0036  -0.0137 -0.0323 928  GLU A OE1 \n1673 O OE2 . GLU A 233 ? 0.4177 0.7816 0.6367 0.0029  -0.0273 -0.0293 928  GLU A OE2 \n1674 N N   . LYS A 234 ? 0.3305 0.6306 0.5143 0.0335  -0.0653 -0.0227 929  LYS A N   \n1675 C CA  . LYS A 234 ? 0.3666 0.6757 0.5548 0.0431  -0.0762 -0.0197 929  LYS A CA  \n1676 C C   . LYS A 234 ? 0.3692 0.6443 0.5370 0.0528  -0.0788 -0.0178 929  LYS A C   \n1677 O O   . LYS A 234 ? 0.3885 0.6658 0.5562 0.0631  -0.0870 -0.0146 929  LYS A O   \n1678 C CB  . LYS A 234 ? 0.3816 0.7077 0.5732 0.0293  -0.0871 -0.0182 929  LYS A CB  \n1679 C CG  . LYS A 234 ? 0.5087 0.8797 0.7277 0.0309  -0.0918 -0.0176 929  LYS A CG  \n1680 C CD  . LYS A 234 ? 0.5577 0.9508 0.7879 0.0112  -0.0898 -0.0191 929  LYS A CD  \n1681 C CE  . LYS A 234 ? 0.5732 0.9658 0.7956 -0.0050 -0.1017 -0.0184 929  LYS A CE  \n1682 N NZ  . LYS A 234 ? 0.5458 0.9755 0.7892 -0.0208 -0.1036 -0.0191 929  LYS A NZ  \n1683 N N   . GLY A 235 ? 0.3307 0.5752 0.4810 0.0492  -0.0718 -0.0193 930  GLY A N   \n1684 C CA  . GLY A 235 ? 0.3519 0.5641 0.4833 0.0567  -0.0722 -0.0176 930  GLY A CA  \n1685 C C   . GLY A 235 ? 0.3373 0.5296 0.4493 0.0472  -0.0781 -0.0157 930  GLY A C   \n1686 O O   . GLY A 235 ? 0.3694 0.5361 0.4650 0.0523  -0.0784 -0.0137 930  GLY A O   \n1687 N N   . GLU A 236 ? 0.3404 0.5431 0.4531 0.0329  -0.0821 -0.0165 931  GLU A N   \n1688 C CA  . GLU A 236 ? 0.3094 0.4924 0.4021 0.0235  -0.0875 -0.0156 931  GLU A CA  \n1689 C C   . GLU A 236 ? 0.2978 0.4533 0.3752 0.0187  -0.0787 -0.0173 931  GLU A C   \n1690 O O   . GLU A 236 ? 0.2761 0.4346 0.3599 0.0156  -0.0706 -0.0196 931  GLU A O   \n1691 C CB  . GLU A 236 ? 0.2821 0.4823 0.3790 0.0088  -0.0944 -0.0167 931  GLU A CB  \n1692 C CG  . GLU A 236 ? 0.3230 0.5579 0.4394 0.0113  -0.1038 -0.0154 931  GLU A CG  \n1693 C CD  . GLU A 236 ? 0.4761 0.7286 0.5977 -0.0062 -0.1099 -0.0171 931  GLU A CD  \n1694 O OE1 . GLU A 236 ? 0.5193 0.8070 0.6640 -0.0080 -0.1128 -0.0171 931  GLU A OE1 \n1695 O OE2 . GLU A 236 ? 0.5037 0.7347 0.6063 -0.0184 -0.1116 -0.0185 931  GLU A OE2 \n1696 N N   . ARG A 237 ? 0.2981 0.4280 0.3551 0.0186  -0.0802 -0.0160 932  ARG A N   \n1697 C CA  . ARG A 237 ? 0.2962 0.4012 0.3387 0.0149  -0.0725 -0.0173 932  ARG A CA  \n1698 C C   . ARG A 237 ? 0.3074 0.3945 0.3297 0.0075  -0.0767 -0.0171 932  ARG A C   \n1699 O O   . ARG A 237 ? 0.3480 0.4396 0.3655 0.0059  -0.0859 -0.0159 932  ARG A O   \n1700 C CB  . ARG A 237 ? 0.2838 0.3729 0.3221 0.0257  -0.0664 -0.0162 932  ARG A CB  \n1701 C CG  . ARG A 237 ? 0.3021 0.4031 0.3569 0.0337  -0.0610 -0.0176 932  ARG A CG  \n1702 C CD  . ARG A 237 ? 0.2755 0.3812 0.3364 0.0274  -0.0536 -0.0210 932  ARG A CD  \n1703 N NE  . ARG A 237 ? 0.3057 0.4210 0.3794 0.0350  -0.0481 -0.0232 932  ARG A NE  \n1704 C CZ  . ARG A 237 ? 0.3223 0.4619 0.4126 0.0380  -0.0486 -0.0241 932  ARG A CZ  \n1705 N NH1 . ARG A 237 ? 0.3364 0.4807 0.4352 0.0457  -0.0425 -0.0268 932  ARG A NH1 \n1706 N NH2 . ARG A 237 ? 0.2953 0.4550 0.3940 0.0332  -0.0548 -0.0229 932  ARG A NH2 \n1707 N N   . LEU A 238 ? 0.2823 0.3493 0.2922 0.0038  -0.0701 -0.0183 933  LEU A N   \n1708 C CA  . LEU A 238 ? 0.2911 0.3371 0.2794 -0.0009 -0.0720 -0.0185 933  LEU A CA  \n1709 C C   . LEU A 238 ? 0.3338 0.3694 0.3106 0.0073  -0.0755 -0.0155 933  LEU A C   \n1710 O O   . LEU A 238 ? 0.3526 0.3866 0.3340 0.0167  -0.0719 -0.0132 933  LEU A O   \n1711 C CB  . LEU A 238 ? 0.3072 0.3352 0.2867 -0.0026 -0.0630 -0.0199 933  LEU A CB  \n1712 C CG  . LEU A 238 ? 0.3288 0.3616 0.3138 -0.0112 -0.0599 -0.0221 933  LEU A CG  \n1713 C CD1 . LEU A 238 ? 0.3362 0.3548 0.3160 -0.0092 -0.0509 -0.0226 933  LEU A CD1 \n1714 C CD2 . LEU A 238 ? 0.3460 0.3746 0.3208 -0.0223 -0.0659 -0.0236 933  LEU A CD2 \n1715 N N   . PRO A 239 ? 0.3423 0.3690 0.3022 0.0035  -0.0822 -0.0154 934  PRO A N   \n1716 C CA  . PRO A 239 ? 0.3604 0.3785 0.3076 0.0109  -0.0865 -0.0118 934  PRO A CA  \n1717 C C   . PRO A 239 ? 0.3888 0.3829 0.3205 0.0155  -0.0778 -0.0103 934  PRO A C   \n1718 O O   . PRO A 239 ? 0.3863 0.3699 0.3141 0.0120  -0.0701 -0.0127 934  PRO A O   \n1719 C CB  . PRO A 239 ? 0.3938 0.4106 0.3267 0.0033  -0.0965 -0.0134 934  PRO A CB  \n1720 C CG  . PRO A 239 ? 0.4057 0.4152 0.3343 -0.0078 -0.0931 -0.0180 934  PRO A CG  \n1721 C CD  . PRO A 239 ? 0.3704 0.3928 0.3203 -0.0083 -0.0862 -0.0187 934  PRO A CD  \n1722 N N   . GLN A 240 ? 0.3605 0.3469 0.2836 0.0236  -0.0790 -0.0059 935  GLN A N   \n1723 C CA  . GLN A 240 ? 0.3463 0.3112 0.2543 0.0272  -0.0705 -0.0037 935  GLN A CA  \n1724 C C   . GLN A 240 ? 0.3755 0.3241 0.2616 0.0215  -0.0693 -0.0061 935  GLN A C   \n1725 O O   . GLN A 240 ? 0.4252 0.3716 0.2973 0.0190  -0.0776 -0.0063 935  GLN A O   \n1726 C CB  . GLN A 240 ? 0.3808 0.3393 0.2807 0.0359  -0.0733 0.0022  935  GLN A CB  \n1727 C CG  . GLN A 240 ? 0.4071 0.3441 0.2921 0.0390  -0.0637 0.0055  935  GLN A CG  \n1728 C CD  . GLN A 240 ? 0.4589 0.3885 0.3369 0.0477  -0.0659 0.0124  935  GLN A CD  \n1729 O OE1 . GLN A 240 ? 0.4988 0.4397 0.3843 0.0529  -0.0745 0.0146  935  GLN A OE1 \n1730 N NE2 . GLN A 240 ? 0.4721 0.3827 0.3356 0.0494  -0.0577 0.0161  935  GLN A NE2 \n1731 N N   . PRO A 241 ? 0.3760 0.3139 0.2592 0.0199  -0.0591 -0.0081 936  PRO A N   \n1732 C CA  . PRO A 241 ? 0.4166 0.3372 0.2777 0.0166  -0.0566 -0.0104 936  PRO A CA  \n1733 C C   . PRO A 241 ? 0.4573 0.3635 0.2966 0.0210  -0.0564 -0.0067 936  PRO A C   \n1734 O O   . PRO A 241 ? 0.4406 0.3441 0.2820 0.0267  -0.0515 -0.0021 936  PRO A O   \n1735 C CB  . PRO A 241 ? 0.4179 0.3336 0.2844 0.0171  -0.0450 -0.0120 936  PRO A CB  \n1736 C CG  . PRO A 241 ? 0.3868 0.3196 0.2782 0.0165  -0.0448 -0.0127 936  PRO A CG  \n1737 C CD  . PRO A 241 ? 0.3772 0.3205 0.2776 0.0205  -0.0507 -0.0093 936  PRO A CD  \n1738 N N   . PRO A 242 ? 0.4542 0.3496 0.2712 0.0178  -0.0615 -0.0089 937  PRO A N   \n1739 C CA  . PRO A 242 ? 0.5155 0.3968 0.3084 0.0217  -0.0620 -0.0054 937  PRO A CA  \n1740 C C   . PRO A 242 ? 0.5063 0.3760 0.2936 0.0271  -0.0490 -0.0016 937  PRO A C   \n1741 O O   . PRO A 242 ? 0.5317 0.3956 0.3092 0.0318  -0.0490 0.0042  937  PRO A O   \n1742 C CB  . PRO A 242 ? 0.5326 0.4007 0.3021 0.0161  -0.0652 -0.0109 937  PRO A CB  \n1743 C CG  . PRO A 242 ? 0.5494 0.4301 0.3326 0.0084  -0.0733 -0.0156 937  PRO A CG  \n1744 C CD  . PRO A 242 ? 0.4922 0.3877 0.3044 0.0095  -0.0678 -0.0147 937  PRO A CD  \n1745 N N   . ILE A 243 ? 0.4808 0.3480 0.2746 0.0263  -0.0382 -0.0042 938  ILE A N   \n1746 C CA  . ILE A 243 ? 0.4647 0.3241 0.2554 0.0302  -0.0253 -0.0010 938  ILE A CA  \n1747 C C   . ILE A 243 ? 0.4499 0.3179 0.2606 0.0327  -0.0215 0.0036  938  ILE A C   \n1748 O O   . ILE A 243 ? 0.4881 0.3499 0.2960 0.0346  -0.0120 0.0073  938  ILE A O   \n1749 C CB  . ILE A 243 ? 0.4671 0.3223 0.2577 0.0297  -0.0149 -0.0054 938  ILE A CB  \n1750 C CG1 . ILE A 243 ? 0.4331 0.3023 0.2493 0.0278  -0.0139 -0.0082 938  ILE A CG1 \n1751 C CG2 . ILE A 243 ? 0.4737 0.3152 0.2408 0.0280  -0.0171 -0.0104 938  ILE A CG2 \n1752 C CD1 . ILE A 243 ? 0.4344 0.3018 0.2536 0.0296  -0.0027 -0.0107 938  ILE A CD1 \n1753 N N   . CYS A 244 ? 0.4417 0.3237 0.2724 0.0321  -0.0283 0.0029  939  CYS A N   \n1754 C CA  . CYS A 244 ? 0.4130 0.3018 0.2628 0.0342  -0.0243 0.0055  939  CYS A CA  \n1755 C C   . CYS A 244 ? 0.4355 0.3189 0.2799 0.0388  -0.0277 0.0119  939  CYS A C   \n1756 O O   . CYS A 244 ? 0.4670 0.3536 0.3073 0.0411  -0.0383 0.0133  939  CYS A O   \n1757 C CB  . CYS A 244 ? 0.3794 0.2849 0.2520 0.0325  -0.0290 0.0019  939  CYS A CB  \n1758 S SG  . CYS A 244 ? 0.4305 0.3418 0.3123 0.0280  -0.0238 -0.0043 939  CYS A SG  \n1759 N N   . THR A 245 ? 0.4459 0.3218 0.2916 0.0401  -0.0190 0.0158  940  THR A N   \n1760 C CA  . THR A 245 ? 0.4664 0.3362 0.3115 0.0448  -0.0214 0.0217  940  THR A CA  \n1761 C C   . THR A 245 ? 0.4457 0.3295 0.3134 0.0468  -0.0269 0.0192  940  THR A C   \n1762 O O   . THR A 245 ? 0.4402 0.3373 0.3240 0.0434  -0.0265 0.0134  940  THR A O   \n1763 C CB  . THR A 245 ? 0.4912 0.3488 0.3339 0.0436  -0.0097 0.0259  940  THR A CB  \n1764 O OG1 . THR A 245 ? 0.4837 0.3507 0.3462 0.0393  -0.0027 0.0212  940  THR A OG1 \n1765 C CG2 . THR A 245 ? 0.5146 0.3589 0.3341 0.0422  -0.0028 0.0292  940  THR A CG2 \n1766 N N   . ILE A 246 ? 0.4343 0.3144 0.3025 0.0530  -0.0315 0.0238  941  ILE A N   \n1767 C CA  . ILE A 246 ? 0.4356 0.3280 0.3241 0.0566  -0.0357 0.0215  941  ILE A CA  \n1768 C C   . ILE A 246 ? 0.4357 0.3297 0.3402 0.0529  -0.0267 0.0177  941  ILE A C   \n1769 O O   . ILE A 246 ? 0.4149 0.3234 0.3371 0.0527  -0.0285 0.0127  941  ILE A O   \n1770 C CB  . ILE A 246 ? 0.4855 0.3722 0.3697 0.0663  -0.0426 0.0276  941  ILE A CB  \n1771 C CG1 . ILE A 246 ? 0.5175 0.4227 0.4224 0.0713  -0.0492 0.0243  941  ILE A CG1 \n1772 C CG2 . ILE A 246 ? 0.5234 0.3884 0.3997 0.0685  -0.0348 0.0331  941  ILE A CG2 \n1773 C CD1 . ILE A 246 ? 0.6136 0.5398 0.5242 0.0694  -0.0588 0.0209  941  ILE A CD1 \n1774 N N   . ASP A 247 ? 0.4385 0.3189 0.3365 0.0493  -0.0170 0.0198  942  ASP A N   \n1775 C CA  . ASP A 247 ? 0.4451 0.3273 0.3572 0.0445  -0.0089 0.0160  942  ASP A CA  \n1776 C C   . ASP A 247 ? 0.4154 0.3155 0.3412 0.0401  -0.0087 0.0090  942  ASP A C   \n1777 O O   . ASP A 247 ? 0.3997 0.3091 0.3414 0.0391  -0.0080 0.0044  942  ASP A O   \n1778 C CB  . ASP A 247 ? 0.4975 0.3664 0.4001 0.0393  0.0015  0.0193  942  ASP A CB  \n1779 C CG  . ASP A 247 ? 0.6754 0.5234 0.5604 0.0426  0.0026  0.0275  942  ASP A CG  \n1780 O OD1 . ASP A 247 ? 0.6588 0.4948 0.5453 0.0402  0.0088  0.0296  942  ASP A OD1 \n1781 O OD2 . ASP A 247 ? 0.7531 0.5957 0.6215 0.0469  -0.0027 0.0319  942  ASP A OD2 \n1782 N N   . VAL A 248 ? 0.4028 0.3058 0.3202 0.0379  -0.0092 0.0082  943  VAL A N   \n1783 C CA  . VAL A 248 ? 0.3846 0.3010 0.3116 0.0341  -0.0088 0.0025  943  VAL A CA  \n1784 C C   . VAL A 248 ? 0.3677 0.2972 0.3041 0.0356  -0.0174 -0.0005 943  VAL A C   \n1785 O O   . VAL A 248 ? 0.3667 0.3079 0.3172 0.0336  -0.0168 -0.0049 943  VAL A O   \n1786 C CB  . VAL A 248 ? 0.3811 0.2933 0.2945 0.0320  -0.0057 0.0023  943  VAL A CB  \n1787 C CG1 . VAL A 248 ? 0.4094 0.3327 0.3313 0.0293  -0.0058 -0.0030 943  VAL A CG1 \n1788 C CG2 . VAL A 248 ? 0.4040 0.3072 0.3110 0.0303  0.0045  0.0051  943  VAL A CG2 \n1789 N N   . TYR A 249 ? 0.3665 0.2955 0.2954 0.0390  -0.0254 0.0020  944  TYR A N   \n1790 C CA  . TYR A 249 ? 0.3723 0.3166 0.3117 0.0397  -0.0335 -0.0005 944  TYR A CA  \n1791 C C   . TYR A 249 ? 0.3318 0.2848 0.2888 0.0431  -0.0328 -0.0022 944  TYR A C   \n1792 O O   . TYR A 249 ? 0.3469 0.3147 0.3170 0.0413  -0.0344 -0.0061 944  TYR A O   \n1793 C CB  . TYR A 249 ? 0.3944 0.3388 0.3234 0.0428  -0.0429 0.0027  944  TYR A CB  \n1794 C CG  . TYR A 249 ? 0.3456 0.3091 0.2862 0.0419  -0.0515 0.0001  944  TYR A CG  \n1795 C CD1 . TYR A 249 ? 0.3553 0.3275 0.3006 0.0482  -0.0595 0.0028  944  TYR A CD1 \n1796 C CD2 . TYR A 249 ? 0.3585 0.3319 0.3059 0.0348  -0.0513 -0.0047 944  TYR A CD2 \n1797 C CE1 . TYR A 249 ? 0.3972 0.3906 0.3554 0.0470  -0.0670 0.0005  944  TYR A CE1 \n1798 C CE2 . TYR A 249 ? 0.3288 0.3206 0.2874 0.0325  -0.0585 -0.0068 944  TYR A CE2 \n1799 C CZ  . TYR A 249 ? 0.3591 0.3623 0.3240 0.0383  -0.0662 -0.0043 944  TYR A CZ  \n1800 O OH  . TYR A 249 ? 0.3659 0.3908 0.3441 0.0356  -0.0728 -0.0062 944  TYR A OH  \n1801 N N   . MET A 250 ? 0.3385 0.2806 0.2943 0.0474  -0.0296 0.0007  945  MET A N   \n1802 C CA  . MET A 250 ? 0.3635 0.3102 0.3333 0.0513  -0.0285 -0.0016 945  MET A CA  \n1803 C C   . MET A 250 ? 0.3531 0.3073 0.3346 0.0459  -0.0228 -0.0073 945  MET A C   \n1804 O O   . MET A 250 ? 0.3344 0.2993 0.3284 0.0478  -0.0234 -0.0111 945  MET A O   \n1805 C CB  . MET A 250 ? 0.4019 0.3305 0.3654 0.0564  -0.0257 0.0025  945  MET A CB  \n1806 C CG  . MET A 250 ? 0.4331 0.3578 0.3898 0.0657  -0.0331 0.0080  945  MET A CG  \n1807 S SD  . MET A 250 ? 0.6053 0.5554 0.5771 0.0720  -0.0428 0.0057  945  MET A SD  \n1808 C CE  . MET A 250 ? 0.6776 0.6352 0.6389 0.0667  -0.0500 0.0074  945  MET A CE  \n1809 N N   . ILE A 251 ? 0.3407 0.2901 0.3175 0.0399  -0.0173 -0.0080 946  ILE A N   \n1810 C CA  . ILE A 251 ? 0.3529 0.3114 0.3401 0.0352  -0.0131 -0.0130 946  ILE A CA  \n1811 C C   . ILE A 251 ? 0.2946 0.2687 0.2884 0.0340  -0.0174 -0.0159 946  ILE A C   \n1812 O O   . ILE A 251 ? 0.3097 0.2941 0.3147 0.0339  -0.0170 -0.0198 946  ILE A O   \n1813 C CB  . ILE A 251 ? 0.3514 0.3050 0.3335 0.0301  -0.0069 -0.0127 946  ILE A CB  \n1814 C CG1 . ILE A 251 ? 0.3763 0.3162 0.3540 0.0293  -0.0014 -0.0099 946  ILE A CG1 \n1815 C CG2 . ILE A 251 ? 0.3801 0.3456 0.3728 0.0264  -0.0044 -0.0175 946  ILE A CG2 \n1816 C CD1 . ILE A 251 ? 0.4638 0.4010 0.4363 0.0250  0.0051  -0.0086 946  ILE A CD1 \n1817 N N   . MET A 252 ? 0.3002 0.2751 0.2860 0.0324  -0.0213 -0.0143 947  MET A N   \n1818 C CA  . MET A 252 ? 0.3161 0.3041 0.3068 0.0298  -0.0257 -0.0165 947  MET A CA  \n1819 C C   . MET A 252 ? 0.3005 0.3021 0.3035 0.0332  -0.0297 -0.0176 947  MET A C   \n1820 O O   . MET A 252 ? 0.2779 0.2920 0.2912 0.0313  -0.0288 -0.0208 947  MET A O   \n1821 C CB  . MET A 252 ? 0.3177 0.3013 0.2957 0.0272  -0.0303 -0.0147 947  MET A CB  \n1822 C CG  . MET A 252 ? 0.4082 0.3830 0.3761 0.0235  -0.0262 -0.0154 947  MET A CG  \n1823 S SD  . MET A 252 ? 0.4593 0.4236 0.4077 0.0218  -0.0316 -0.0137 947  MET A SD  \n1824 C CE  . MET A 252 ? 0.4405 0.3892 0.3769 0.0257  -0.0253 -0.0102 947  MET A CE  \n1825 N N   . VAL A 253 ? 0.2927 0.2922 0.2944 0.0391  -0.0337 -0.0147 948  VAL A N   \n1826 C CA  . VAL A 253 ? 0.2796 0.2934 0.2933 0.0445  -0.0378 -0.0153 948  VAL A CA  \n1827 C C   . VAL A 253 ? 0.2728 0.2904 0.2976 0.0469  -0.0323 -0.0192 948  VAL A C   \n1828 O O   . VAL A 253 ? 0.2762 0.3101 0.3128 0.0480  -0.0328 -0.0219 948  VAL A O   \n1829 C CB  . VAL A 253 ? 0.3060 0.3137 0.3139 0.0523  -0.0429 -0.0106 948  VAL A CB  \n1830 C CG1 . VAL A 253 ? 0.3683 0.3908 0.3896 0.0604  -0.0465 -0.0109 948  VAL A CG1 \n1831 C CG2 . VAL A 253 ? 0.3222 0.3296 0.3189 0.0489  -0.0497 -0.0077 948  VAL A CG2 \n1832 N N   . LYS A 254 ? 0.2873 0.2899 0.3076 0.0470  -0.0267 -0.0197 949  LYS A N   \n1833 C CA  . LYS A 254 ? 0.2819 0.2852 0.3101 0.0486  -0.0219 -0.0242 949  LYS A CA  \n1834 C C   . LYS A 254 ? 0.2608 0.2766 0.2950 0.0424  -0.0195 -0.0284 949  LYS A C   \n1835 O O   . LYS A 254 ? 0.2537 0.2781 0.2960 0.0440  -0.0174 -0.0325 949  LYS A O   \n1836 C CB  . LYS A 254 ? 0.3082 0.2927 0.3298 0.0476  -0.0168 -0.0240 949  LYS A CB  \n1837 C CG  . LYS A 254 ? 0.4278 0.3970 0.4432 0.0547  -0.0179 -0.0201 949  LYS A CG  \n1838 C CD  . LYS A 254 ? 0.5046 0.4539 0.5126 0.0515  -0.0123 -0.0193 949  LYS A CD  \n1839 C CE  . LYS A 254 ? 0.6826 0.6137 0.6815 0.0583  -0.0133 -0.0140 949  LYS A CE  \n1840 N NZ  . LYS A 254 ? 0.7815 0.6937 0.7695 0.0527  -0.0082 -0.0106 949  LYS A NZ  \n1841 N N   . CYS A 255 ? 0.2648 0.2802 0.2934 0.0361  -0.0196 -0.0272 950  CYS A N   \n1842 C CA  . CYS A 255 ? 0.2695 0.2955 0.3020 0.0310  -0.0181 -0.0300 950  CYS A CA  \n1843 C C   . CYS A 255 ? 0.2228 0.2657 0.2631 0.0306  -0.0209 -0.0307 950  CYS A C   \n1844 O O   . CYS A 255 ? 0.2411 0.2930 0.2852 0.0272  -0.0187 -0.0331 950  CYS A O   \n1845 C CB  . CYS A 255 ? 0.2193 0.2395 0.2431 0.0259  -0.0177 -0.0281 950  CYS A CB  \n1846 S SG  . CYS A 255 ? 0.2895 0.2968 0.3079 0.0249  -0.0126 -0.0279 950  CYS A SG  \n1847 N N   . TRP A 256 ? 0.2152 0.2634 0.2577 0.0336  -0.0258 -0.0284 951  TRP A N   \n1848 C CA  . TRP A 256 ? 0.2441 0.3112 0.2955 0.0321  -0.0287 -0.0286 951  TRP A CA  \n1849 C C   . TRP A 256 ? 0.2282 0.3075 0.2914 0.0402  -0.0288 -0.0300 951  TRP A C   \n1850 O O   . TRP A 256 ? 0.2540 0.3513 0.3266 0.0409  -0.0323 -0.0293 951  TRP A O   \n1851 C CB  . TRP A 256 ? 0.2871 0.3554 0.3334 0.0281  -0.0353 -0.0254 951  TRP A CB  \n1852 C CG  . TRP A 256 ? 0.2581 0.3121 0.2909 0.0215  -0.0349 -0.0244 951  TRP A CG  \n1853 C CD1 . TRP A 256 ? 0.2375 0.2864 0.2664 0.0168  -0.0304 -0.0258 951  TRP A CD1 \n1854 C CD2 . TRP A 256 ? 0.2438 0.2864 0.2643 0.0202  -0.0391 -0.0218 951  TRP A CD2 \n1855 N NE1 . TRP A 256 ? 0.2688 0.3037 0.2844 0.0133  -0.0311 -0.0243 951  TRP A NE1 \n1856 C CE2 . TRP A 256 ? 0.2729 0.3033 0.2825 0.0150  -0.0361 -0.0222 951  TRP A CE2 \n1857 C CE3 . TRP A 256 ? 0.2809 0.3222 0.2972 0.0237  -0.0453 -0.0191 951  TRP A CE3 \n1858 C CZ2 . TRP A 256 ? 0.3155 0.3319 0.3100 0.0130  -0.0383 -0.0206 951  TRP A CZ2 \n1859 C CZ3 . TRP A 256 ? 0.3222 0.3495 0.3224 0.0208  -0.0480 -0.0174 951  TRP A CZ3 \n1860 C CH2 . TRP A 256 ? 0.3244 0.3392 0.3139 0.0155  -0.0440 -0.0185 951  TRP A CH2 \n1861 N N   . MET A 257 ? 0.2381 0.3083 0.3014 0.0465  -0.0249 -0.0322 952  MET A N   \n1862 C CA  . MET A 257 ? 0.2819 0.3611 0.3550 0.0557  -0.0238 -0.0344 952  MET A CA  \n1863 C C   . MET A 257 ? 0.2723 0.3701 0.3548 0.0534  -0.0199 -0.0382 952  MET A C   \n1864 O O   . MET A 257 ? 0.2728 0.3691 0.3515 0.0464  -0.0165 -0.0402 952  MET A O   \n1865 C CB  . MET A 257 ? 0.2706 0.3306 0.3384 0.0616  -0.0201 -0.0364 952  MET A CB  \n1866 C CG  . MET A 257 ? 0.3852 0.4274 0.4436 0.0643  -0.0234 -0.0316 952  MET A CG  \n1867 S SD  . MET A 257 ? 0.4996 0.5195 0.5529 0.0726  -0.0196 -0.0330 952  MET A SD  \n1868 C CE  . MET A 257 ? 0.4123 0.4172 0.4581 0.0627  -0.0140 -0.0362 952  MET A CE  \n1869 N N   . ILE A 258 ? 0.2702 0.3865 0.3648 0.0598  -0.0204 -0.0388 953  ILE A N   \n1870 C CA  . ILE A 258 ? 0.2668 0.4025 0.3705 0.0579  -0.0156 -0.0422 953  ILE A CA  \n1871 C C   . ILE A 258 ? 0.2899 0.4157 0.3888 0.0602  -0.0087 -0.0478 953  ILE A C   \n1872 O O   . ILE A 258 ? 0.2751 0.4071 0.3727 0.0541  -0.0046 -0.0502 953  ILE A O   \n1873 C CB  . ILE A 258 ? 0.2787 0.4391 0.3983 0.0655  -0.0169 -0.0418 953  ILE A CB  \n1874 C CG1 . ILE A 258 ? 0.3126 0.4857 0.4370 0.0605  -0.0248 -0.0368 953  ILE A CG1 \n1875 C CG2 . ILE A 258 ? 0.2712 0.4519 0.3999 0.0643  -0.0099 -0.0456 953  ILE A CG2 \n1876 C CD1 . ILE A 258 ? 0.3376 0.5125 0.4572 0.0454  -0.0258 -0.0352 953  ILE A CD1 \n1877 N N   . ASP A 259 ? 0.2943 0.4029 0.3887 0.0682  -0.0078 -0.0498 954  ASP A N   \n1878 C CA  . ASP A 259 ? 0.3371 0.4335 0.4253 0.0694  -0.0021 -0.0560 954  ASP A CA  \n1879 C C   . ASP A 259 ? 0.3150 0.3975 0.3927 0.0595  -0.0022 -0.0559 954  ASP A C   \n1880 O O   . ASP A 259 ? 0.3021 0.3667 0.3730 0.0585  -0.0041 -0.0540 954  ASP A O   \n1881 C CB  . ASP A 259 ? 0.3716 0.4517 0.4576 0.0806  -0.0011 -0.0583 954  ASP A CB  \n1882 C CG  . ASP A 259 ? 0.4411 0.5049 0.5187 0.0802  0.0041  -0.0655 954  ASP A CG  \n1883 O OD1 . ASP A 259 ? 0.5379 0.5831 0.6110 0.0874  0.0051  -0.0676 954  ASP A OD1 \n1884 O OD2 . ASP A 259 ? 0.3860 0.4541 0.4604 0.0728  0.0068  -0.0692 954  ASP A OD2 \n1885 N N   . ALA A 260 ? 0.2662 0.3578 0.3426 0.0525  0.0002  -0.0576 955  ALA A N   \n1886 C CA  . ALA A 260 ? 0.2809 0.3634 0.3488 0.0441  -0.0003 -0.0571 955  ALA A CA  \n1887 C C   . ALA A 260 ? 0.2686 0.3332 0.3300 0.0446  0.0010  -0.0610 955  ALA A C   \n1888 O O   . ALA A 260 ? 0.2762 0.3305 0.3328 0.0398  -0.0007 -0.0589 955  ALA A O   \n1889 C CB  . ALA A 260 ? 0.2637 0.3584 0.3301 0.0386  0.0024  -0.0584 955  ALA A CB  \n1890 N N   . ASP A 261 ? 0.3111 0.3722 0.3726 0.0503  0.0043  -0.0670 956  ASP A N   \n1891 C CA  . ASP A 261 ? 0.3517 0.3948 0.4065 0.0493  0.0055  -0.0717 956  ASP A CA  \n1892 C C   . ASP A 261 ? 0.3608 0.3860 0.4136 0.0508  0.0036  -0.0682 956  ASP A C   \n1893 O O   . ASP A 261 ? 0.4032 0.4138 0.4506 0.0462  0.0040  -0.0700 956  ASP A O   \n1894 C CB  . ASP A 261 ? 0.3459 0.3862 0.3991 0.0554  0.0096  -0.0797 956  ASP A CB  \n1895 C CG  . ASP A 261 ? 0.4161 0.4693 0.4668 0.0522  0.0123  -0.0845 956  ASP A CG  \n1896 O OD1 . ASP A 261 ? 0.3806 0.4382 0.4279 0.0441  0.0106  -0.0831 956  ASP A OD1 \n1897 O OD2 . ASP A 261 ? 0.3926 0.4508 0.4436 0.0586  0.0163  -0.0896 956  ASP A OD2 \n1898 N N   . SER A 262 ? 0.3335 0.3608 0.3901 0.0568  0.0013  -0.0630 957  SER A N   \n1899 C CA  . SER A 262 ? 0.3377 0.3485 0.3906 0.0592  -0.0009 -0.0581 957  SER A CA  \n1900 C C   . SER A 262 ? 0.3385 0.3477 0.3881 0.0522  -0.0036 -0.0520 957  SER A C   \n1901 O O   . SER A 262 ? 0.3622 0.3560 0.4063 0.0523  -0.0043 -0.0482 957  SER A O   \n1902 C CB  . SER A 262 ? 0.3848 0.3998 0.4426 0.0700  -0.0030 -0.0549 957  SER A CB  \n1903 O OG  . SER A 262 ? 0.5040 0.5105 0.5616 0.0790  0.0001  -0.0598 957  SER A OG  \n1904 N N   . ARG A 263 ? 0.2866 0.3102 0.3384 0.0464  -0.0047 -0.0509 958  ARG A N   \n1905 C CA  . ARG A 263 ? 0.2586 0.2793 0.3058 0.0403  -0.0065 -0.0461 958  ARG A CA  \n1906 C C   . ARG A 263 ? 0.2545 0.2632 0.2972 0.0352  -0.0039 -0.0475 958  ARG A C   \n1907 O O   . ARG A 263 ? 0.2992 0.3062 0.3428 0.0336  -0.0015 -0.0530 958  ARG A O   \n1908 C CB  . ARG A 263 ? 0.2399 0.2754 0.2888 0.0355  -0.0075 -0.0453 958  ARG A CB  \n1909 C CG  . ARG A 263 ? 0.2395 0.2891 0.2941 0.0383  -0.0099 -0.0437 958  ARG A CG  \n1910 C CD  . ARG A 263 ? 0.2059 0.2680 0.2612 0.0324  -0.0100 -0.0431 958  ARG A CD  \n1911 N NE  . ARG A 263 ? 0.2105 0.2889 0.2737 0.0341  -0.0109 -0.0429 958  ARG A NE  \n1912 C CZ  . ARG A 263 ? 0.2274 0.3193 0.2936 0.0303  -0.0090 -0.0438 958  ARG A CZ  \n1913 N NH1 . ARG A 263 ? 0.2229 0.3314 0.2982 0.0320  -0.0090 -0.0437 958  ARG A NH1 \n1914 N NH2 . ARG A 263 ? 0.2138 0.3039 0.2741 0.0251  -0.0067 -0.0446 958  ARG A NH2 \n1915 N N   . PRO A 264 ? 0.2745 0.2761 0.3124 0.0320  -0.0043 -0.0429 959  PRO A N   \n1916 C CA  . PRO A 264 ? 0.2737 0.2682 0.3096 0.0262  -0.0014 -0.0438 959  PRO A CA  \n1917 C C   . PRO A 264 ? 0.2812 0.2881 0.3208 0.0217  -0.0009 -0.0476 959  PRO A C   \n1918 O O   . PRO A 264 ? 0.2758 0.2941 0.3165 0.0224  -0.0026 -0.0474 959  PRO A O   \n1919 C CB  . PRO A 264 ? 0.3330 0.3229 0.3634 0.0247  -0.0015 -0.0378 959  PRO A CB  \n1920 C CG  . PRO A 264 ? 0.3298 0.3185 0.3572 0.0301  -0.0051 -0.0339 959  PRO A CG  \n1921 C CD  . PRO A 264 ? 0.2964 0.2980 0.3304 0.0331  -0.0073 -0.0370 959  PRO A CD  \n1922 N N   . LYS A 265 ? 0.2830 0.2873 0.3238 0.0169  0.0011  -0.0507 960  LYS A N   \n1923 C CA  . LYS A 265 ? 0.2987 0.3154 0.3423 0.0128  0.0008  -0.0534 960  LYS A CA  \n1924 C C   . LYS A 265 ? 0.2642 0.2832 0.3076 0.0104  0.0016  -0.0488 960  LYS A C   \n1925 O O   . LYS A 265 ? 0.2658 0.2754 0.3072 0.0095  0.0037  -0.0454 960  LYS A O   \n1926 C CB  . LYS A 265 ? 0.2850 0.3002 0.3310 0.0082  0.0017  -0.0597 960  LYS A CB  \n1927 C CG  . LYS A 265 ? 0.3598 0.3680 0.4040 0.0113  0.0020  -0.0651 960  LYS A CG  \n1928 C CD  . LYS A 265 ? 0.4152 0.4354 0.4593 0.0156  0.0007  -0.0667 960  LYS A CD  \n1929 C CE  . LYS A 265 ? 0.5719 0.5858 0.6147 0.0211  0.0021  -0.0712 960  LYS A CE  \n1930 N NZ  . LYS A 265 ? 0.6922 0.7146 0.7334 0.0208  0.0024  -0.0779 960  LYS A NZ  \n1931 N N   . PHE A 266 ? 0.2478 0.2787 0.2925 0.0098  0.0004  -0.0486 961  PHE A N   \n1932 C CA  . PHE A 266 ? 0.2355 0.2692 0.2802 0.0091  0.0018  -0.0447 961  PHE A CA  \n1933 C C   . PHE A 266 ? 0.2618 0.2944 0.3113 0.0043  0.0049  -0.0453 961  PHE A C   \n1934 O O   . PHE A 266 ? 0.2474 0.2763 0.2953 0.0043  0.0079  -0.0412 961  PHE A O   \n1935 C CB  . PHE A 266 ? 0.2479 0.2933 0.2927 0.0106  0.0000  -0.0442 961  PHE A CB  \n1936 C CG  . PHE A 266 ? 0.2441 0.2878 0.2824 0.0140  -0.0019 -0.0415 961  PHE A CG  \n1937 C CD1 . PHE A 266 ? 0.2525 0.2879 0.2848 0.0159  -0.0013 -0.0372 961  PHE A CD1 \n1938 C CD2 . PHE A 266 ? 0.2331 0.2834 0.2705 0.0143  -0.0039 -0.0435 961  PHE A CD2 \n1939 C CE1 . PHE A 266 ? 0.2949 0.3284 0.3215 0.0170  -0.0033 -0.0352 961  PHE A CE1 \n1940 C CE2 . PHE A 266 ? 0.2654 0.3143 0.2973 0.0157  -0.0050 -0.0407 961  PHE A CE2 \n1941 C CZ  . PHE A 266 ? 0.1936 0.2342 0.2207 0.0165  -0.0050 -0.0368 961  PHE A CZ  \n1942 N N   . ARG A 267 ? 0.2780 0.3131 0.3325 -0.0005 0.0046  -0.0506 962  ARG A N   \n1943 C CA  . ARG A 267 ? 0.3107 0.3443 0.3704 -0.0072 0.0077  -0.0514 962  ARG A CA  \n1944 C C   . ARG A 267 ? 0.3054 0.3214 0.3599 -0.0076 0.0115  -0.0476 962  ARG A C   \n1945 O O   . ARG A 267 ? 0.3240 0.3394 0.3804 -0.0114 0.0157  -0.0445 962  ARG A O   \n1946 C CB  . ARG A 267 ? 0.3242 0.3607 0.3883 -0.0135 0.0060  -0.0587 962  ARG A CB  \n1947 C CG  . ARG A 267 ? 0.4813 0.5100 0.5401 -0.0108 0.0037  -0.0634 962  ARG A CG  \n1948 C CD  . ARG A 267 ? 0.6305 0.6411 0.6865 -0.0146 0.0058  -0.0669 962  ARG A CD  \n1949 N NE  . ARG A 267 ? 0.6497 0.6558 0.7019 -0.0134 0.0039  -0.0741 962  ARG A NE  \n1950 C CZ  . ARG A 267 ? 0.6764 0.6945 0.7278 -0.0104 0.0009  -0.0776 962  ARG A CZ  \n1951 N NH1 . ARG A 267 ? 0.7358 0.7479 0.7824 -0.0091 0.0004  -0.0845 962  ARG A NH1 \n1952 N NH2 . ARG A 267 ? 0.5538 0.5883 0.6076 -0.0083 -0.0012 -0.0742 962  ARG A NH2 \n1953 N N   . GLU A 268 ? 0.3109 0.3140 0.3588 -0.0033 0.0103  -0.0473 963  GLU A N   \n1954 C CA  . GLU A 268 ? 0.3261 0.3112 0.3672 -0.0021 0.0128  -0.0431 963  GLU A CA  \n1955 C C   . GLU A 268 ? 0.2987 0.2834 0.3342 0.0016  0.0139  -0.0366 963  GLU A C   \n1956 O O   . GLU A 268 ? 0.3153 0.2895 0.3455 0.0003  0.0176  -0.0321 963  GLU A O   \n1957 C CB  . GLU A 268 ? 0.3552 0.3294 0.3918 0.0034  0.0105  -0.0446 963  GLU A CB  \n1958 C CG  . GLU A 268 ? 0.3915 0.3611 0.4304 0.0004  0.0103  -0.0518 963  GLU A CG  \n1959 C CD  . GLU A 268 ? 0.4884 0.4514 0.5242 0.0080  0.0083  -0.0542 963  GLU A CD  \n1960 O OE1 . GLU A 268 ? 0.5370 0.4884 0.5711 0.0072  0.0093  -0.0592 963  GLU A OE1 \n1961 O OE2 . GLU A 268 ? 0.4164 0.3858 0.4516 0.0147  0.0059  -0.0513 963  GLU A OE2 \n1962 N N   . LEU A 269 ? 0.2687 0.2637 0.3040 0.0058  0.0108  -0.0362 964  LEU A N   \n1963 C CA  . LEU A 269 ? 0.2694 0.2626 0.2976 0.0092  0.0113  -0.0311 964  LEU A CA  \n1964 C C   . LEU A 269 ? 0.2964 0.2945 0.3262 0.0065  0.0162  -0.0291 964  LEU A C   \n1965 O O   . LEU A 269 ? 0.3296 0.3204 0.3515 0.0079  0.0191  -0.0247 964  LEU A O   \n1966 C CB  . LEU A 269 ? 0.2662 0.2671 0.2929 0.0131  0.0071  -0.0315 964  LEU A CB  \n1967 C CG  . LEU A 269 ? 0.2717 0.2701 0.2971 0.0162  0.0029  -0.0324 964  LEU A CG  \n1968 C CD1 . LEU A 269 ? 0.2840 0.2927 0.3107 0.0174  -0.0002 -0.0338 964  LEU A CD1 \n1969 C CD2 . LEU A 269 ? 0.3431 0.3304 0.3600 0.0192  0.0016  -0.0281 964  LEU A CD2 \n1970 N N   . ILE A 270 ? 0.2750 0.2867 0.3149 0.0030  0.0171  -0.0322 965  ILE A N   \n1971 C CA  . ILE A 270 ? 0.2743 0.2948 0.3192 0.0007  0.0221  -0.0306 965  ILE A CA  \n1972 C C   . ILE A 270 ? 0.3212 0.3311 0.3641 -0.0046 0.0277  -0.0280 965  ILE A C   \n1973 O O   . ILE A 270 ? 0.3131 0.3201 0.3510 -0.0036 0.0327  -0.0237 965  ILE A O   \n1974 C CB  . ILE A 270 ? 0.2688 0.3083 0.3267 -0.0027 0.0209  -0.0347 965  ILE A CB  \n1975 C CG1 . ILE A 270 ? 0.2544 0.3035 0.3120 0.0033  0.0162  -0.0357 965  ILE A CG1 \n1976 C CG2 . ILE A 270 ? 0.2796 0.3308 0.3456 -0.0057 0.0266  -0.0328 965  ILE A CG2 \n1977 C CD1 . ILE A 270 ? 0.2940 0.3594 0.3616 0.0006  0.0125  -0.0403 965  ILE A CD1 \n1978 N N   . ILE A 271 ? 0.3100 0.3126 0.3554 -0.0100 0.0271  -0.0306 966  ILE A N   \n1979 C CA  . ILE A 271 ? 0.3264 0.3149 0.3683 -0.0158 0.0324  -0.0278 966  ILE A CA  \n1980 C C   . ILE A 271 ? 0.3446 0.3156 0.3716 -0.0109 0.0342  -0.0216 966  ILE A C   \n1981 O O   . ILE A 271 ? 0.3709 0.3371 0.3931 -0.0134 0.0405  -0.0169 966  ILE A O   \n1982 C CB  . ILE A 271 ? 0.3385 0.3173 0.3827 -0.0215 0.0307  -0.0324 966  ILE A CB  \n1983 C CG1 . ILE A 271 ? 0.3457 0.3421 0.4037 -0.0287 0.0295  -0.0386 966  ILE A CG1 \n1984 C CG2 . ILE A 271 ? 0.4108 0.3685 0.4475 -0.0268 0.0361  -0.0284 966  ILE A CG2 \n1985 C CD1 . ILE A 271 ? 0.4400 0.4281 0.4986 -0.0327 0.0260  -0.0454 966  ILE A CD1 \n1986 N N   . GLU A 272 ? 0.3292 0.2923 0.3487 -0.0040 0.0286  -0.0213 967  GLU A N   \n1987 C CA  . GLU A 272 ? 0.3572 0.3046 0.3622 0.0008  0.0286  -0.0156 967  GLU A CA  \n1988 C C   . GLU A 272 ? 0.3471 0.2981 0.3448 0.0036  0.0312  -0.0120 967  GLU A C   \n1989 O O   . GLU A 272 ? 0.3702 0.3103 0.3570 0.0032  0.0358  -0.0068 967  GLU A O   \n1990 C CB  . GLU A 272 ? 0.3832 0.3254 0.3842 0.0076  0.0214  -0.0164 967  GLU A CB  \n1991 C CG  . GLU A 272 ? 0.5448 0.4726 0.5309 0.0127  0.0199  -0.0103 967  GLU A CG  \n1992 C CD  . GLU A 272 ? 0.6928 0.6114 0.6762 0.0183  0.0145  -0.0100 967  GLU A CD  \n1993 O OE1 . GLU A 272 ? 0.6990 0.6270 0.6908 0.0209  0.0101  -0.0146 967  GLU A OE1 \n1994 O OE2 . GLU A 272 ? 0.7717 0.6739 0.7439 0.0209  0.0149  -0.0047 967  GLU A OE2 \n1995 N N   . PHE A 273 ? 0.3162 0.2805 0.3179 0.0066  0.0286  -0.0145 968  PHE A N   \n1996 C CA  . PHE A 273 ? 0.2939 0.2591 0.2872 0.0099  0.0315  -0.0119 968  PHE A CA  \n1997 C C   . PHE A 273 ? 0.3305 0.3021 0.3276 0.0063  0.0405  -0.0102 968  PHE A C   \n1998 O O   . PHE A 273 ? 0.3242 0.2903 0.3103 0.0085  0.0453  -0.0067 968  PHE A O   \n1999 C CB  . PHE A 273 ? 0.3138 0.2879 0.3082 0.0144  0.0268  -0.0147 968  PHE A CB  \n2000 C CG  . PHE A 273 ? 0.3309 0.2973 0.3162 0.0179  0.0198  -0.0144 968  PHE A CG  \n2001 C CD1 . PHE A 273 ? 0.3702 0.3249 0.3396 0.0206  0.0193  -0.0112 968  PHE A CD1 \n2002 C CD2 . PHE A 273 ? 0.3264 0.2986 0.3189 0.0182  0.0139  -0.0175 968  PHE A CD2 \n2003 C CE1 . PHE A 273 ? 0.3690 0.3194 0.3315 0.0228  0.0119  -0.0112 968  PHE A CE1 \n2004 C CE2 . PHE A 273 ? 0.3331 0.3017 0.3195 0.0207  0.0076  -0.0172 968  PHE A CE2 \n2005 C CZ  . PHE A 273 ? 0.3701 0.3285 0.3423 0.0226  0.0062  -0.0141 968  PHE A CZ  \n2006 N N   . SER A 274 ? 0.3265 0.3108 0.3391 0.0007  0.0427  -0.0130 969  SER A N   \n2007 C CA  . SER A 274 ? 0.3165 0.3105 0.3363 -0.0042 0.0514  -0.0114 969  SER A CA  \n2008 C C   . SER A 274 ? 0.3654 0.3436 0.3752 -0.0088 0.0578  -0.0063 969  SER A C   \n2009 O O   . SER A 274 ? 0.3957 0.3757 0.4015 -0.0093 0.0659  -0.0027 969  SER A O   \n2010 C CB  . SER A 274 ? 0.3617 0.3734 0.4006 -0.0109 0.0509  -0.0158 969  SER A CB  \n2011 O OG  . SER A 274 ? 0.3632 0.3914 0.4103 -0.0059 0.0463  -0.0194 969  SER A OG  \n2012 N N   . LYS A 275 ? 0.3729 0.3349 0.3778 -0.0115 0.0545  -0.0057 970  LYS A N   \n2013 C CA  . LYS A 275 ? 0.3751 0.3171 0.3669 -0.0146 0.0595  0.0003  970  LYS A CA  \n2014 C C   . LYS A 275 ? 0.3853 0.3169 0.3580 -0.0073 0.0603  0.0052  970  LYS A C   \n2015 O O   . LYS A 275 ? 0.4203 0.3451 0.3830 -0.0094 0.0683  0.0104  970  LYS A O   \n2016 C CB  . LYS A 275 ? 0.3941 0.3189 0.3825 -0.0155 0.0543  -0.0002 970  LYS A CB  \n2017 C CG  . LYS A 275 ? 0.5423 0.4429 0.5150 -0.0175 0.0586  0.0068  970  LYS A CG  \n2018 C CD  . LYS A 275 ? 0.6499 0.5320 0.6178 -0.0150 0.0525  0.0064  970  LYS A CD  \n2019 C CE  . LYS A 275 ? 0.7250 0.6059 0.6861 -0.0035 0.0433  0.0061  970  LYS A CE  \n2020 N NZ  . LYS A 275 ? 0.7594 0.6258 0.7183 0.0006  0.0378  0.0054  970  LYS A NZ  \n2021 N N   . MET A 276 ? 0.3986 0.3288 0.3653 0.0005  0.0522  0.0034  971  MET A N   \n2022 C CA  . MET A 276 ? 0.4005 0.3208 0.3481 0.0067  0.0514  0.0070  971  MET A CA  \n2023 C C   . MET A 276 ? 0.4283 0.3574 0.3731 0.0081  0.0589  0.0072  971  MET A C   \n2024 O O   . MET A 276 ? 0.4574 0.3761 0.3850 0.0099  0.0637  0.0114  971  MET A O   \n2025 C CB  . MET A 276 ? 0.4380 0.3573 0.3820 0.0129  0.0408  0.0044  971  MET A CB  \n2026 C CG  . MET A 276 ? 0.4373 0.3464 0.3804 0.0140  0.0341  0.0054  971  MET A CG  \n2027 S SD  . MET A 276 ? 0.4632 0.3760 0.4042 0.0204  0.0226  0.0026  971  MET A SD  \n2028 C CE  . MET A 276 ? 0.4764 0.3785 0.4169 0.0234  0.0166  0.0048  971  MET A CE  \n2029 N N   . ALA A 277 ? 0.3991 0.3469 0.3598 0.0079  0.0602  0.0028  972  ALA A N   \n2030 C CA  . ALA A 277 ? 0.4205 0.3785 0.3808 0.0111  0.0674  0.0026  972  ALA A CA  \n2031 C C   . ALA A 277 ? 0.4637 0.4239 0.4237 0.0064  0.0795  0.0067  972  ALA A C   \n2032 O O   . ALA A 277 ? 0.4616 0.4260 0.4156 0.0103  0.0870  0.0077  972  ALA A O   \n2033 C CB  . ALA A 277 ? 0.4131 0.3912 0.3913 0.0131  0.0651  -0.0024 972  ALA A CB  \n2034 N N   . ARG A 278 ? 0.4560 0.4125 0.4215 -0.0022 0.0820  0.0092  973  ARG A N   \n2035 C CA  . ARG A 278 ? 0.4906 0.4473 0.4550 -0.0088 0.0940  0.0140  973  ARG A CA  \n2036 C C   . ARG A 278 ? 0.5165 0.4505 0.4548 -0.0071 0.0981  0.0205  973  ARG A C   \n2037 O O   . ARG A 278 ? 0.5394 0.4732 0.4727 -0.0111 0.1094  0.0251  973  ARG A O   \n2038 C CB  . ARG A 278 ? 0.4869 0.4470 0.4670 -0.0203 0.0953  0.0138  973  ARG A CB  \n2039 C CG  . ARG A 278 ? 0.5185 0.5057 0.5244 -0.0235 0.0941  0.0079  973  ARG A CG  \n2040 C CD  . ARG A 278 ? 0.6516 0.6434 0.6723 -0.0368 0.0968  0.0072  973  ARG A CD  \n2041 N NE  . ARG A 278 ? 0.7081 0.6829 0.7262 -0.0395 0.0883  0.0051  973  ARG A NE  \n2042 C CZ  . ARG A 278 ? 0.7449 0.7280 0.7744 -0.0385 0.0793  -0.0014 973  ARG A CZ  \n2043 N NH1 . ARG A 278 ? 0.7585 0.7662 0.8025 -0.0352 0.0768  -0.0058 973  ARG A NH1 \n2044 N NH2 . ARG A 278 ? 0.7802 0.7464 0.8057 -0.0402 0.0731  -0.0032 973  ARG A NH2 \n2045 N N   . ASP A 279 ? 0.4902 0.4068 0.4120 -0.0011 0.0889  0.0211  974  ASP A N   \n2046 C CA  . ASP A 279 ? 0.5062 0.4015 0.4009 0.0019  0.0904  0.0272  974  ASP A CA  \n2047 C C   . ASP A 279 ? 0.5028 0.3914 0.3845 0.0107  0.0796  0.0245  974  ASP A C   \n2048 O O   . ASP A 279 ? 0.5102 0.3849 0.3816 0.0129  0.0708  0.0265  974  ASP A O   \n2049 C CB  . ASP A 279 ? 0.5321 0.4088 0.4200 -0.0035 0.0901  0.0331  974  ASP A CB  \n2050 C CG  . ASP A 279 ? 0.6126 0.4676 0.4716 -0.0012 0.0935  0.0409  974  ASP A CG  \n2051 O OD1 . ASP A 279 ? 0.6080 0.4631 0.4520 0.0035  0.0973  0.0414  974  ASP A OD1 \n2052 O OD2 . ASP A 279 ? 0.6680 0.5045 0.5179 -0.0036 0.0922  0.0465  974  ASP A OD2 \n2053 N N   . PRO A 280 ? 0.4982 0.3971 0.3806 0.0158  0.0801  0.0199  975  PRO A N   \n2054 C CA  . PRO A 280 ? 0.4686 0.3637 0.3438 0.0218  0.0691  0.0159  975  PRO A CA  \n2055 C C   . PRO A 280 ? 0.4775 0.3535 0.3265 0.0252  0.0635  0.0190  975  PRO A C   \n2056 O O   . PRO A 280 ? 0.4750 0.3475 0.3218 0.0274  0.0520  0.0171  975  PRO A O   \n2057 C CB  . PRO A 280 ? 0.4658 0.3720 0.3441 0.0262  0.0735  0.0112  975  PRO A CB  \n2058 C CG  . PRO A 280 ? 0.5200 0.4323 0.3990 0.0247  0.0875  0.0140  975  PRO A CG  \n2059 C CD  . PRO A 280 ? 0.4782 0.3927 0.3689 0.0164  0.0909  0.0181  975  PRO A CD  \n2060 N N   . GLN A 281 ? 0.5062 0.3711 0.3354 0.0255  0.0715  0.0238  976  GLN A N   \n2061 C CA  . GLN A 281 ? 0.5455 0.3921 0.3469 0.0289  0.0659  0.0269  976  GLN A CA  \n2062 C C   . GLN A 281 ? 0.5698 0.4054 0.3671 0.0281  0.0579  0.0323  976  GLN A C   \n2063 O O   . GLN A 281 ? 0.5866 0.4100 0.3639 0.0317  0.0498  0.0347  976  GLN A O   \n2064 C CB  . GLN A 281 ? 0.5597 0.3975 0.3387 0.0300  0.0775  0.0304  976  GLN A CB  \n2065 C CG  . GLN A 281 ? 0.5875 0.4360 0.3702 0.0329  0.0861  0.0249  976  GLN A CG  \n2066 C CD  . GLN A 281 ? 0.8064 0.6444 0.5625 0.0360  0.0963  0.0270  976  GLN A CD  \n2067 O OE1 . GLN A 281 ? 0.8790 0.7250 0.6394 0.0349  0.1106  0.0288  976  GLN A OE1 \n2068 N NE2 . GLN A 281 ? 0.8180 0.6393 0.5466 0.0396  0.0892  0.0265  976  GLN A NE2 \n2069 N N   . ARG A 282 ? 0.5293 0.3688 0.3449 0.0237  0.0597  0.0341  977  ARG A N   \n2070 C CA  . ARG A 282 ? 0.5388 0.3680 0.3537 0.0245  0.0516  0.0381  977  ARG A CA  \n2071 C C   . ARG A 282 ? 0.5066 0.3436 0.3318 0.0284  0.0380  0.0330  977  ARG A C   \n2072 O O   . ARG A 282 ? 0.5355 0.3647 0.3538 0.0324  0.0287  0.0359  977  ARG A O   \n2073 C CB  . ARG A 282 ? 0.5478 0.3761 0.3778 0.0182  0.0584  0.0406  977  ARG A CB  \n2074 C CG  . ARG A 282 ? 0.5896 0.4074 0.4222 0.0200  0.0503  0.0432  977  ARG A CG  \n2075 C CD  . ARG A 282 ? 0.5962 0.4067 0.4375 0.0128  0.0583  0.0462  977  ARG A CD  \n2076 N NE  . ARG A 282 ? 0.6776 0.4786 0.5237 0.0157  0.0505  0.0468  977  ARG A NE  \n2077 C CZ  . ARG A 282 ? 0.6772 0.4680 0.5302 0.0103  0.0548  0.0482  977  ARG A CZ  \n2078 N NH1 . ARG A 282 ? 0.6966 0.4776 0.5522 0.0150  0.0475  0.0481  977  ARG A NH1 \n2079 N NH2 . ARG A 282 ? 0.6189 0.4098 0.4765 0.0000  0.0664  0.0494  977  ARG A NH2 \n2080 N N   . TYR A 283 ? 0.4821 0.3353 0.3238 0.0276  0.0369  0.0258  978  TYR A N   \n2081 C CA  . TYR A 283 ? 0.4674 0.3306 0.3235 0.0293  0.0264  0.0210  978  TYR A CA  \n2082 C C   . TYR A 283 ? 0.4369 0.3035 0.2853 0.0320  0.0187  0.0169  978  TYR A C   \n2083 O O   . TYR A 283 ? 0.4394 0.3109 0.2930 0.0337  0.0083  0.0149  978  TYR A O   \n2084 C CB  . TYR A 283 ? 0.4294 0.3072 0.3105 0.0255  0.0300  0.0164  978  TYR A CB  \n2085 C CG  . TYR A 283 ? 0.4349 0.3075 0.3235 0.0218  0.0350  0.0196  978  TYR A CG  \n2086 C CD1 . TYR A 283 ? 0.4124 0.2866 0.3052 0.0161  0.0463  0.0210  978  TYR A CD1 \n2087 C CD2 . TYR A 283 ? 0.4843 0.3496 0.3751 0.0239  0.0286  0.0213  978  TYR A CD2 \n2088 C CE1 . TYR A 283 ? 0.4396 0.3068 0.3379 0.0108  0.0509  0.0239  978  TYR A CE1 \n2089 C CE2 . TYR A 283 ? 0.5012 0.3573 0.3962 0.0202  0.0334  0.0240  978  TYR A CE2 \n2090 C CZ  . TYR A 283 ? 0.5396 0.3959 0.4379 0.0128  0.0444  0.0252  978  TYR A CZ  \n2091 O OH  . TYR A 283 ? 0.5555 0.4011 0.4572 0.0073  0.0492  0.0276  978  TYR A OH  \n2092 N N   . LEU A 284 ? 0.4455 0.3091 0.2810 0.0323  0.0241  0.0155  979  LEU A N   \n2093 C CA  . LEU A 284 ? 0.4542 0.3159 0.2773 0.0340  0.0174  0.0115  979  LEU A CA  \n2094 C C   . LEU A 284 ? 0.5019 0.3485 0.2967 0.0359  0.0203  0.0143  979  LEU A C   \n2095 O O   . LEU A 284 ? 0.5087 0.3509 0.2967 0.0358  0.0319  0.0166  979  LEU A O   \n2096 C CB  . LEU A 284 ? 0.4501 0.3209 0.2835 0.0334  0.0207  0.0054  979  LEU A CB  \n2097 C CG  . LEU A 284 ? 0.4114 0.2975 0.2708 0.0316  0.0183  0.0022  979  LEU A CG  \n2098 C CD1 . LEU A 284 ? 0.4391 0.3319 0.3050 0.0323  0.0227  -0.0025 979  LEU A CD1 \n2099 C CD2 . LEU A 284 ? 0.4297 0.3198 0.2946 0.0310  0.0062  0.0009  979  LEU A CD2 \n2100 N N   . VAL A 285 ? 0.4967 0.3367 0.2753 0.0371  0.0098  0.0137  980  VAL A N   \n2101 C CA  . VAL A 285 ? 0.5063 0.3307 0.2541 0.0389  0.0102  0.0160  980  VAL A CA  \n2102 C C   . VAL A 285 ? 0.5391 0.3595 0.2741 0.0385  0.0079  0.0088  980  VAL A C   \n2103 O O   . VAL A 285 ? 0.5710 0.3933 0.3046 0.0367  -0.0040 0.0051  980  VAL A O   \n2104 C CB  . VAL A 285 ? 0.5392 0.3581 0.2758 0.0408  -0.0011 0.0211  980  VAL A CB  \n2105 C CG1 . VAL A 285 ? 0.6095 0.4121 0.3117 0.0427  -0.0020 0.0235  980  VAL A CG1 \n2106 C CG2 . VAL A 285 ? 0.6008 0.4200 0.3492 0.0419  0.0019  0.0281  980  VAL A CG2 \n2107 N N   . ILE A 286 ? 0.5440 0.3595 0.2709 0.0400  0.0198  0.0067  981  ILE A N   \n2108 C CA  . ILE A 286 ? 0.5818 0.3905 0.2962 0.0407  0.0200  -0.0006 981  ILE A CA  \n2109 C C   . ILE A 286 ? 0.6644 0.4563 0.3466 0.0436  0.0268  -0.0003 981  ILE A C   \n2110 O O   . ILE A 286 ? 0.6499 0.4409 0.3291 0.0461  0.0400  0.0034  981  ILE A O   \n2111 C CB  . ILE A 286 ? 0.5901 0.4085 0.3245 0.0418  0.0281  -0.0046 981  ILE A CB  \n2112 C CG1 . ILE A 286 ? 0.5864 0.4203 0.3493 0.0387  0.0206  -0.0054 981  ILE A CG1 \n2113 C CG2 . ILE A 286 ? 0.6495 0.4566 0.3679 0.0440  0.0294  -0.0116 981  ILE A CG2 \n2114 C CD1 . ILE A 286 ? 0.5163 0.3624 0.3012 0.0401  0.0284  -0.0075 981  ILE A CD1 \n2115 N N   . GLN A 287 ? 0.7024 0.4815 0.3606 0.0427  0.0179  -0.0044 982  GLN A N   \n2116 C CA  . GLN A 287 ? 0.7658 0.5267 0.3894 0.0455  0.0230  -0.0058 982  GLN A CA  \n2117 C C   . GLN A 287 ? 0.7379 0.4957 0.3594 0.0503  0.0390  -0.0095 982  GLN A C   \n2118 O O   . GLN A 287 ? 0.7719 0.5314 0.4034 0.0510  0.0394  -0.0156 982  GLN A O   \n2119 C CB  . GLN A 287 ? 0.8214 0.5701 0.4227 0.0423  0.0095  -0.0122 982  GLN A CB  \n2120 C CG  . GLN A 287 ? 0.9186 0.6752 0.5262 0.0377  -0.0078 -0.0097 982  GLN A CG  \n2121 C CD  . GLN A 287 ? 1.0552 0.8022 0.6421 0.0329  -0.0215 -0.0165 982  GLN A CD  \n2122 O OE1 . GLN A 287 ? 1.0887 0.8456 0.6912 0.0274  -0.0332 -0.0194 982  GLN A OE1 \n2123 N NE2 . GLN A 287 ? 1.1184 0.8463 0.6697 0.0343  -0.0199 -0.0193 982  GLN A NE2 \n2124 N N   . GLY A 288 ? 1.3145 0.6135 0.5013 0.1949  0.0136  -0.1764 983  GLY A N   \n2125 C CA  . GLY A 288 ? 1.2733 0.5926 0.4559 0.2055  0.0634  -0.1509 983  GLY A CA  \n2126 C C   . GLY A 288 ? 1.1461 0.5641 0.4557 0.1404  0.0963  -0.1262 983  GLY A C   \n2127 O O   . GLY A 288 ? 1.1007 0.5601 0.4507 0.1365  0.1121  -0.1168 983  GLY A O   \n2128 N N   . ASP A 289 ? 1.0722 0.5157 0.4333 0.0946  0.1013  -0.1167 984  ASP A N   \n2129 C CA  . ASP A 289 ? 1.0025 0.5144 0.4668 0.0354  0.1149  -0.0984 984  ASP A CA  \n2130 C C   . ASP A 289 ? 1.0311 0.5804 0.5368 0.0308  0.1643  -0.0565 984  ASP A C   \n2131 O O   . ASP A 289 ? 0.9767 0.5853 0.5613 0.0029  0.1616  -0.0527 984  ASP A O   \n2132 C CB  . ASP A 289 ? 0.9767 0.4693 0.4447 0.0045  0.1138  -0.0900 984  ASP A CB  \n2133 C CG  . ASP A 289 ? 0.9178 0.4490 0.4620 -0.0467 0.0959  -0.0912 984  ASP A CG  \n2134 O OD1 . ASP A 289 ? 0.8124 0.3948 0.4200 -0.0650 0.0950  -0.0884 984  ASP A OD1 \n2135 O OD2 . ASP A 289 ? 0.8809 0.3791 0.4065 -0.0616 0.0816  -0.0952 984  ASP A OD2 \n2136 N N   . GLU A 290 ? 1.1391 0.6526 0.5928 0.0647  0.2125  -0.0206 985  GLU A N   \n2137 C CA  . GLU A 290 ? 1.1797 0.7315 0.6883 0.0672  0.2743  0.0384  985  GLU A CA  \n2138 C C   . GLU A 290 ? 1.1615 0.7556 0.6930 0.0908  0.2890  0.0428  985  GLU A C   \n2139 O O   . GLU A 290 ? 1.1182 0.7825 0.7588 0.0618  0.3158  0.0825  985  GLU A O   \n2140 C CB  . GLU A 290 ? 1.2945 0.7844 0.7159 0.1232  0.3324  0.0784  985  GLU A CB  \n2141 C CG  . GLU A 290 ? 1.3684 0.8930 0.8873 0.0947  0.3907  0.1536  985  GLU A CG  \n2142 C CD  . GLU A 290 ? 1.3934 0.8897 0.9327 0.0453  0.3657  0.1536  985  GLU A CD  \n2143 O OE1 . GLU A 290 ? 1.3684 0.8605 0.9111 0.0047  0.3006  0.1023  985  GLU A OE1 \n2144 O OE2 . GLU A 290 ? 1.4583 0.9310 1.0068 0.0521  0.4153  0.2096  985  GLU A OE2 \n2145 N N   . ARG A 291 ? 1.2126 0.7580 0.6443 0.1435  0.2640  0.0027  986  ARG A N   \n2146 C CA  . ARG A 291 ? 1.2635 0.8152 0.6704 0.1892  0.2849  0.0097  986  ARG A CA  \n2147 C C   . ARG A 291 ? 1.1950 0.7909 0.6604 0.1577  0.2326  -0.0303 986  ARG A C   \n2148 O O   . ARG A 291 ? 1.2327 0.7933 0.6328 0.2036  0.2170  -0.0517 986  ARG A O   \n2149 C CB  . ARG A 291 ? 1.4245 0.8631 0.6547 0.2833  0.2886  -0.0046 986  ARG A CB  \n2150 C CG  . ARG A 291 ? 1.5778 0.9625 0.7267 0.3383  0.3609  0.0471  986  ARG A CG  \n2151 C CD  . ARG A 291 ? 1.7738 1.0158 0.7176 0.4304  0.3361  0.0137  986  ARG A CD  \n2152 N NE  . ARG A 291 ? 1.8345 1.0352 0.7530 0.4038  0.2663  -0.0342 986  ARG A NE  \n2153 C CZ  . ARG A 291 ? 1.9419 1.0226 0.7091 0.4650  0.2108  -0.0771 986  ARG A CZ  \n2154 N NH1 . ARG A 291 ? 2.1592 1.1278 0.7601 0.5622  0.2102  -0.0846 986  ARG A NH1 \n2155 N NH2 . ARG A 291 ? 1.9074 0.9715 0.6845 0.4341  0.1508  -0.1122 986  ARG A NH2 \n2156 N N   . MET A 292 ? 1.0882 0.7488 0.6656 0.0857  0.2055  -0.0386 987  MET A N   \n2157 C CA  . MET A 292 ? 1.0364 0.7320 0.6643 0.0589  0.1595  -0.0739 987  MET A CA  \n2158 C C   . MET A 292 ? 0.9850 0.7580 0.7102 0.0314  0.1792  -0.0495 987  MET A C   \n2159 O O   . MET A 292 ? 0.9722 0.7903 0.7738 0.0014  0.2084  -0.0084 987  MET A O   \n2160 C CB  . MET A 292 ? 0.9705 0.6667 0.6293 0.0166  0.1127  -0.1041 987  MET A CB  \n2161 C CG  . MET A 292 ? 1.0099 0.6395 0.5929 0.0474  0.0752  -0.1362 987  MET A CG  \n2162 S SD  . MET A 292 ? 0.9520 0.5883 0.5776 0.0091  0.0409  -0.1532 987  MET A SD  \n2163 C CE  . MET A 292 ? 0.9919 0.5584 0.5501 0.0532  -0.0078 -0.1828 987  MET A CE  \n2164 N N   . HIS A 293 ? 0.9602 0.7446 0.6889 0.0409  0.1564  -0.0735 988  HIS A N   \n2165 C CA  . HIS A 293 ? 0.9210 0.7730 0.7299 0.0242  0.1718  -0.0541 988  HIS A CA  \n2166 C C   . HIS A 293 ? 0.8445 0.7117 0.6824 0.0042  0.1271  -0.0909 988  HIS A C   \n2167 O O   . HIS A 293 ? 0.8725 0.6955 0.6564 0.0315  0.0974  -0.1221 988  HIS A O   \n2168 C CB  . HIS A 293 ? 1.0057 0.8540 0.7742 0.0836  0.2224  -0.0219 988  HIS A CB  \n2169 C CG  . HIS A 293 ? 1.1617 0.9211 0.7954 0.1502  0.2057  -0.0534 988  HIS A CG  \n2170 N ND1 . HIS A 293 ? 1.2872 0.9611 0.8052 0.1983  0.2095  -0.0585 988  HIS A ND1 \n2171 C CD2 . HIS A 293 ? 1.2136 0.9418 0.8022 0.1793  0.1759  -0.0827 988  HIS A CD2 \n2172 C CE1 . HIS A 293 ? 1.4031 0.9901 0.8060 0.2555  0.1750  -0.0922 988  HIS A CE1 \n2173 N NE2 . HIS A 293 ? 1.3455 0.9634 0.7923 0.2430  0.1533  -0.1068 988  HIS A NE2 \n2174 N N   . LEU A 294 ? 0.7529 0.6736 0.6754 -0.0411 0.1180  -0.0846 989  LEU A N   \n2175 C CA  . LEU A 294 ? 0.6797 0.6148 0.6296 -0.0552 0.0868  -0.1106 989  LEU A CA  \n2176 C C   . LEU A 294 ? 0.6589 0.6394 0.6487 -0.0478 0.1012  -0.0965 989  LEU A C   \n2177 O O   . LEU A 294 ? 0.6560 0.6806 0.6987 -0.0559 0.1272  -0.0610 989  LEU A O   \n2178 C CB  . LEU A 294 ? 0.6324 0.5716 0.6164 -0.0955 0.0633  -0.1183 989  LEU A CB  \n2179 C CG  . LEU A 294 ? 0.5895 0.4848 0.5351 -0.0971 0.0492  -0.1327 989  LEU A CG  \n2180 C CD1 . LEU A 294 ? 0.6648 0.5497 0.6208 -0.1263 0.0373  -0.1291 989  LEU A CD1 \n2181 C CD2 . LEU A 294 ? 0.5609 0.4373 0.4980 -0.0798 0.0269  -0.1560 989  LEU A CD2 \n2182 N N   . PRO A 295 ? 0.6390 0.6098 0.6148 -0.0323 0.0827  -0.1197 990  PRO A N   \n2183 C CA  . PRO A 295 ? 0.6305 0.6363 0.6312 -0.0184 0.0955  -0.1094 990  PRO A CA  \n2184 C C   . PRO A 295 ? 0.5805 0.6460 0.6651 -0.0551 0.0950  -0.0910 990  PRO A C   \n2185 O O   . PRO A 295 ? 0.5203 0.5806 0.6239 -0.0871 0.0685  -0.1038 990  PRO A O   \n2186 C CB  . PRO A 295 ? 0.6214 0.5941 0.5999 -0.0086 0.0623  -0.1417 990  PRO A CB  \n2187 C CG  . PRO A 295 ? 0.6667 0.5801 0.5978 0.0008  0.0365  -0.1625 990  PRO A CG  \n2188 C CD  . PRO A 295 ? 0.6417 0.5666 0.5881 -0.0260 0.0466  -0.1519 990  PRO A CD  \n2189 N N   . SER A 296 ? 0.5689 0.6828 0.6979 -0.0431 0.1224  -0.0582 991  SER A N   \n2190 C CA  . SER A 296 ? 0.5310 0.7004 0.7490 -0.0726 0.1104  -0.0393 991  SER A CA  \n2191 C C   . SER A 296 ? 0.4892 0.6594 0.6984 -0.0653 0.0910  -0.0637 991  SER A C   \n2192 O O   . SER A 296 ? 0.4747 0.6067 0.6218 -0.0399 0.0897  -0.0893 991  SER A O   \n2193 C CB  . SER A 296 ? 0.5615 0.7923 0.8533 -0.0585 0.1508  0.0153  991  SER A CB  \n2194 O OG  . SER A 296 ? 0.6406 0.8703 0.8841 -0.0017 0.1893  0.0228  991  SER A OG  \n2195 N N   . PRO A 297 ? 0.4644 0.6694 0.7358 -0.0871 0.0691  -0.0552 992  PRO A N   \n2196 C CA  . PRO A 297 ? 0.4650 0.6694 0.7228 -0.0730 0.0580  -0.0735 992  PRO A CA  \n2197 C C   . PRO A 297 ? 0.4948 0.7051 0.7220 -0.0280 0.0892  -0.0701 992  PRO A C   \n2198 O O   . PRO A 297 ? 0.4960 0.6676 0.6723 -0.0121 0.0795  -0.0973 992  PRO A O   \n2199 C CB  . PRO A 297 ? 0.4588 0.7040 0.7934 -0.0943 0.0316  -0.0548 992  PRO A CB  \n2200 C CG  . PRO A 297 ? 0.4916 0.7211 0.8527 -0.1310 0.0035  -0.0473 992  PRO A CG  \n2201 C CD  . PRO A 297 ? 0.4947 0.7167 0.8351 -0.1265 0.0379  -0.0373 992  PRO A CD  \n2202 N N   . THR A 298 ? 0.5357 0.7850 0.7907 -0.0030 0.1272  -0.0327 993  THR A N   \n2203 C CA  . THR A 298 ? 0.5866 0.8261 0.7896 0.0545  0.1604  -0.0256 993  THR A CA  \n2204 C C   . THR A 298 ? 0.6336 0.7846 0.7170 0.0884  0.1569  -0.0581 993  THR A C   \n2205 O O   . THR A 298 ? 0.6818 0.7879 0.6975 0.1279  0.1528  -0.0751 993  THR A O   \n2206 C CB  . THR A 298 ? 0.6441 0.9457 0.9040 0.0875  0.2160  0.0352  993  THR A CB  \n2207 O OG1 . THR A 298 ? 0.6969 0.9946 0.9600 0.0858  0.2423  0.0603  993  THR A OG1 \n2208 C CG2 . THR A 298 ? 0.5914 0.9822 0.9906 0.0562  0.2056  0.0700  993  THR A CG2 \n2209 N N   . ASP A 299 ? 0.6086 0.7265 0.6656 0.0737  0.1499  -0.0672 994  ASP A N   \n2210 C CA  . ASP A 299 ? 0.6790 0.7073 0.6303 0.1046  0.1331  -0.0973 994  ASP A CA  \n2211 C C   . ASP A 299 ? 0.6303 0.6186 0.5811 0.0706  0.0802  -0.1375 994  ASP A C   \n2212 O O   . ASP A 299 ? 0.6673 0.5806 0.5526 0.0922  0.0490  -0.1633 994  ASP A O   \n2213 C CB  . ASP A 299 ? 0.7233 0.7304 0.6365 0.1210  0.1589  -0.0797 994  ASP A CB  \n2214 C CG  . ASP A 299 ? 0.8372 0.8398 0.7003 0.1884  0.2178  -0.0395 994  ASP A CG  \n2215 O OD1 . ASP A 299 ? 0.9095 0.8991 0.7324 0.2348  0.2312  -0.0355 994  ASP A OD1 \n2216 O OD2 . ASP A 299 ? 0.9013 0.9085 0.7604 0.2010  0.2560  -0.0074 994  ASP A OD2 \n2217 N N   . SER A 300 ? 0.5473 0.5791 0.5717 0.0230  0.0685  -0.1383 995  SER A N   \n2218 C CA  . SER A 300 ? 0.5013 0.5063 0.5403 -0.0033 0.0353  -0.1608 995  SER A CA  \n2219 C C   . SER A 300 ? 0.5255 0.5036 0.5646 0.0070  0.0130  -0.1756 995  SER A C   \n2220 O O   . SER A 300 ? 0.4948 0.5022 0.5586 0.0055  0.0210  -0.1697 995  SER A O   \n2221 C CB  . SER A 300 ? 0.4720 0.5131 0.5619 -0.0409 0.0365  -0.1524 995  SER A CB  \n2222 O OG  . SER A 300 ? 0.4478 0.4652 0.5506 -0.0538 0.0199  -0.1629 995  SER A OG  \n2223 N N   . ASN A 301 ? 0.5562 0.4739 0.5730 0.0167  -0.0212 -0.1932 996  ASN A N   \n2224 C CA  . ASN A 301 ? 0.5712 0.4565 0.6110 0.0175  -0.0519 -0.2024 996  ASN A CA  \n2225 C C   . ASN A 301 ? 0.4977 0.4253 0.6124 -0.0117 -0.0382 -0.1881 996  ASN A C   \n2226 O O   . ASN A 301 ? 0.4401 0.3686 0.5700 -0.0070 -0.0373 -0.1852 996  ASN A O   \n2227 C CB  . ASN A 301 ? 0.6456 0.4641 0.6885 0.0180  -0.1044 -0.2168 996  ASN A CB  \n2228 C CG  . ASN A 301 ? 0.7974 0.5355 0.7349 0.0618  -0.1334 -0.2370 996  ASN A CG  \n2229 O OD1 . ASN A 301 ? 0.9455 0.6674 0.8047 0.1011  -0.1124 -0.2382 996  ASN A OD1 \n2230 N ND2 . ASN A 301 ? 0.8714 0.5506 0.8007 0.0627  -0.1830 -0.2506 996  ASN A ND2 \n2231 N N   . PHE A 302 ? 0.4516 0.4020 0.5983 -0.0338 -0.0258 -0.1780 997  PHE A N   \n2232 C CA  . PHE A 302 ? 0.4193 0.3900 0.6104 -0.0465 -0.0068 -0.1605 997  PHE A CA  \n2233 C C   . PHE A 302 ? 0.4129 0.4110 0.5815 -0.0425 0.0137  -0.1571 997  PHE A C   \n2234 O O   . PHE A 302 ? 0.4231 0.4187 0.6048 -0.0353 0.0217  -0.1490 997  PHE A O   \n2235 C CB  . PHE A 302 ? 0.4300 0.4037 0.6328 -0.0583 0.0033  -0.1507 997  PHE A CB  \n2236 C CG  . PHE A 302 ? 0.3780 0.3517 0.6167 -0.0549 0.0271  -0.1256 997  PHE A CG  \n2237 C CD1 . PHE A 302 ? 0.3738 0.3463 0.5694 -0.0453 0.0500  -0.1193 997  PHE A CD1 \n2238 C CD2 . PHE A 302 ? 0.4310 0.3990 0.7465 -0.0553 0.0257  -0.1031 997  PHE A CD2 \n2239 C CE1 . PHE A 302 ? 0.3547 0.3089 0.5547 -0.0253 0.0803  -0.0923 997  PHE A CE1 \n2240 C CE2 . PHE A 302 ? 0.4277 0.3973 0.7785 -0.0407 0.0637  -0.0669 997  PHE A CE2 \n2241 C CZ  . PHE A 302 ? 0.3844 0.3414 0.6630 -0.0203 0.0957  -0.0621 997  PHE A CZ  \n2242 N N   . TYR A 303 ? 0.3873 0.4091 0.5300 -0.0465 0.0189  -0.1595 998  TYR A N   \n2243 C CA  . TYR A 303 ? 0.3758 0.4250 0.5153 -0.0454 0.0236  -0.1544 998  TYR A CA  \n2244 C C   . TYR A 303 ? 0.4102 0.4667 0.5507 -0.0257 0.0247  -0.1562 998  TYR A C   \n2245 O O   . TYR A 303 ? 0.4179 0.4767 0.5595 -0.0196 0.0252  -0.1530 998  TYR A O   \n2246 C CB  . TYR A 303 ? 0.3706 0.4513 0.5154 -0.0555 0.0247  -0.1470 998  TYR A CB  \n2247 C CG  . TYR A 303 ? 0.3575 0.4693 0.5267 -0.0614 0.0150  -0.1363 998  TYR A CG  \n2248 C CD1 . TYR A 303 ? 0.3474 0.4447 0.5156 -0.0803 -0.0075 -0.1339 998  TYR A CD1 \n2249 C CD2 . TYR A 303 ? 0.3729 0.5200 0.5643 -0.0450 0.0207  -0.1280 998  TYR A CD2 \n2250 C CE1 . TYR A 303 ? 0.4338 0.5476 0.6305 -0.0871 -0.0349 -0.1254 998  TYR A CE1 \n2251 C CE2 . TYR A 303 ? 0.3895 0.5686 0.6205 -0.0513 0.0030  -0.1153 998  TYR A CE2 \n2252 C CZ  . TYR A 303 ? 0.4262 0.5874 0.6641 -0.0746 -0.0302 -0.1147 998  TYR A CZ  \n2253 O OH  . TYR A 303 ? 0.4657 0.6478 0.7493 -0.0823 -0.0656 -0.1032 998  TYR A OH  \n2254 N N   . ARG A 304 ? 0.3805 0.4282 0.5046 -0.0089 0.0235  -0.1620 999  ARG A N   \n2255 C CA  . ARG A 304 ? 0.4614 0.4995 0.5687 0.0173  0.0226  -0.1653 999  ARG A CA  \n2256 C C   . ARG A 304 ? 0.4734 0.4771 0.5963 0.0155  0.0106  -0.1690 999  ARG A C   \n2257 O O   . ARG A 304 ? 0.4777 0.4846 0.5982 0.0285  0.0149  -0.1664 999  ARG A O   \n2258 C CB  . ARG A 304 ? 0.5209 0.5220 0.5767 0.0470  0.0175  -0.1736 999  ARG A CB  \n2259 C CG  . ARG A 304 ? 0.6572 0.6909 0.6935 0.0668  0.0457  -0.1575 999  ARG A CG  \n2260 C CD  . ARG A 304 ? 0.8371 0.8030 0.7924 0.1043  0.0389  -0.1681 999  ARG A CD  \n2261 N NE  . ARG A 304 ? 0.9757 0.9597 0.8940 0.1460  0.0804  -0.1433 999  ARG A NE  \n2262 C CZ  . ARG A 304 ? 1.0744 1.0361 0.9324 0.2027  0.1006  -0.1342 999  ARG A CZ  \n2263 N NH1 . ARG A 304 ? 1.1279 1.1123 0.9624 0.2470  0.1520  -0.0989 999  ARG A NH1 \n2264 N NH2 . ARG A 304 ? 1.1295 1.0431 0.9510 0.2200  0.0741  -0.1545 999  ARG A NH2 \n2265 N N   . ALA A 305 ? 0.4793 0.4525 0.6284 0.0008  -0.0029 -0.1692 1000 ALA A N   \n2266 C CA  . ALA A 305 ? 0.5254 0.4714 0.7195 -0.0032 -0.0096 -0.1587 1000 ALA A CA  \n2267 C C   . ALA A 305 ? 0.5373 0.5026 0.7390 -0.0003 0.0201  -0.1417 1000 ALA A C   \n2268 O O   . ALA A 305 ? 0.5697 0.5185 0.7840 0.0104  0.0252  -0.1322 1000 ALA A O   \n2269 C CB  . ALA A 305 ? 0.4741 0.4013 0.7232 -0.0208 -0.0250 -0.1497 1000 ALA A CB  \n2270 N N   . LEU A 306 ? 0.5071 0.4937 0.6891 -0.0052 0.0351  -0.1386 1001 LEU A N   \n2271 C CA  . LEU A 306 ? 0.5491 0.5308 0.7043 0.0083  0.0526  -0.1282 1001 LEU A CA  \n2272 C C   . LEU A 306 ? 0.5952 0.5947 0.7218 0.0206  0.0436  -0.1382 1001 LEU A C   \n2273 O O   . LEU A 306 ? 0.6379 0.6204 0.7514 0.0398  0.0515  -0.1320 1001 LEU A O   \n2274 C CB  . LEU A 306 ? 0.5333 0.5071 0.6591 0.0046  0.0575  -0.1250 1001 LEU A CB  \n2275 C CG  . LEU A 306 ? 0.5039 0.4490 0.6416 0.0140  0.0842  -0.1009 1001 LEU A CG  \n2276 C CD1 . LEU A 306 ? 0.5557 0.5135 0.7664 -0.0043 0.0804  -0.0937 1001 LEU A CD1 \n2277 C CD2 . LEU A 306 ? 0.5199 0.4378 0.5966 0.0216  0.0862  -0.1013 1001 LEU A CD2 \n2278 N N   . MET A 307 ? 0.5926 0.6288 0.7187 0.0124  0.0304  -0.1476 1002 MET A N   \n2279 C CA  . MET A 307 ? 0.6218 0.6885 0.7446 0.0223  0.0205  -0.1475 1002 MET A CA  \n2280 C C   . MET A 307 ? 0.6421 0.7265 0.7687 0.0431  0.0255  -0.1482 1002 MET A C   \n2281 O O   . MET A 307 ? 0.6739 0.7717 0.7979 0.0591  0.0209  -0.1450 1002 MET A O   \n2282 C CB  . MET A 307 ? 0.5940 0.6983 0.7402 0.0038  0.0056  -0.1431 1002 MET A CB  \n2283 C CG  . MET A 307 ? 0.5970 0.6676 0.7203 -0.0109 -0.0098 -0.1451 1002 MET A CG  \n2284 S SD  . MET A 307 ? 0.6959 0.6970 0.7501 0.0162  -0.0159 -0.1476 1002 MET A SD  \n2285 C CE  . MET A 307 ? 0.7618 0.7150 0.7715 0.0066  -0.0511 -0.1521 1002 MET A CE  \n2286 N N   . ASP A 308 ? 0.6781 0.7516 0.7991 0.0489  0.0305  -0.1532 1003 ASP A N   \n2287 C CA  . ASP A 308 ? 0.7409 0.8090 0.8389 0.0799  0.0343  -0.1551 1003 ASP A CA  \n2288 C C   . ASP A 308 ? 0.7869 0.7964 0.8679 0.0890  0.0251  -0.1629 1003 ASP A C   \n2289 O O   . ASP A 308 ? 0.8012 0.8069 0.8779 0.1013  0.0287  -0.1592 1003 ASP A O   \n2290 C CB  . ASP A 308 ? 0.7846 0.8469 0.8564 0.0963  0.0402  -0.1562 1003 ASP A CB  \n2291 C CG  . ASP A 308 ? 0.7886 0.9133 0.8936 0.0890  0.0577  -0.1369 1003 ASP A CG  \n2292 O OD1 . ASP A 308 ? 0.8084 0.9725 0.9614 0.0613  0.0511  -0.1283 1003 ASP A OD1 \n2293 O OD2 . ASP A 308 ? 0.8693 0.9937 0.9479 0.1152  0.0761  -0.1277 1003 ASP A OD2 \n2294 N N   . VAL A 315 ? 0.7190 0.6410 0.9948 0.1515  -0.0704 -0.1047 1010 VAL A N   \n2295 C CA  . VAL A 315 ? 0.6996 0.7046 0.9981 0.2153  -0.0296 -0.1287 1010 VAL A CA  \n2296 C C   . VAL A 315 ? 0.5851 0.7162 0.8491 0.1793  0.0008  -0.0849 1010 VAL A C   \n2297 O O   . VAL A 315 ? 0.5810 0.7924 0.8322 0.1985  0.0570  -0.1075 1010 VAL A O   \n2298 C CB  . VAL A 315 ? 0.7499 0.7450 1.1929 0.2807  -0.0495 -0.1039 1010 VAL A CB  \n2299 C CG1 . VAL A 315 ? 0.8410 0.9292 1.3598 0.3623  0.0162  -0.1785 1010 VAL A CG1 \n2300 C CG2 . VAL A 315 ? 0.8258 0.6350 1.3085 0.2928  -0.1004 -0.1056 1010 VAL A CG2 \n2301 N N   . VAL A 316 ? 0.5166 0.6550 0.7615 0.1184  -0.0249 -0.0293 1011 VAL A N   \n2302 C CA  . VAL A 316 ? 0.4647 0.6841 0.6860 0.0765  -0.0058 -0.0018 1011 VAL A CA  \n2303 C C   . VAL A 316 ? 0.4318 0.6131 0.5850 0.0316  -0.0072 -0.0076 1011 VAL A C   \n2304 O O   . VAL A 316 ? 0.4356 0.5896 0.5885 -0.0010 -0.0207 -0.0003 1011 VAL A O   \n2305 C CB  . VAL A 316 ? 0.4616 0.7491 0.7441 0.0542  -0.0400 0.0492  1011 VAL A CB  \n2306 C CG1 . VAL A 316 ? 0.4546 0.7912 0.7016 -0.0108 -0.0308 0.0549  1011 VAL A CG1 \n2307 C CG2 . VAL A 316 ? 0.5115 0.8878 0.9334 0.1144  -0.0428 0.0496  1011 VAL A CG2 \n2308 N N   . ASP A 317 ? 0.4405 0.6189 0.5437 0.0320  0.0128  -0.0170 1012 ASP A N   \n2309 C CA  . ASP A 317 ? 0.4740 0.6141 0.5548 0.0141  0.0020  -0.0244 1012 ASP A CA  \n2310 C C   . ASP A 317 ? 0.4431 0.5992 0.5481 -0.0338 0.0128  -0.0228 1012 ASP A C   \n2311 O O   . ASP A 317 ? 0.4459 0.6389 0.5530 -0.0649 0.0183  -0.0047 1012 ASP A O   \n2312 C CB  . ASP A 317 ? 0.5721 0.6713 0.5785 0.0254  0.0090  -0.0047 1012 ASP A CB  \n2313 C CG  . ASP A 317 ? 0.6726 0.7090 0.6867 0.0345  -0.0240 -0.0073 1012 ASP A CG  \n2314 O OD1 . ASP A 317 ? 0.7734 0.8129 0.8292 0.0646  -0.0683 -0.0386 1012 ASP A OD1 \n2315 O OD2 . ASP A 317 ? 0.7944 0.7780 0.8015 0.0128  -0.0102 0.0167  1012 ASP A OD2 \n2316 N N   . ALA A 318 ? 0.4114 0.5563 0.5433 -0.0427 0.0171  -0.0554 1013 ALA A N   \n2317 C CA  . ALA A 318 ? 0.4201 0.5752 0.5400 -0.0887 0.0470  -0.0825 1013 ALA A CA  \n2318 C C   . ALA A 318 ? 0.4899 0.6100 0.5848 -0.1115 0.0495  -0.0909 1013 ALA A C   \n2319 O O   . ALA A 318 ? 0.5291 0.6663 0.5765 -0.1645 0.0526  -0.1079 1013 ALA A O   \n2320 C CB  . ALA A 318 ? 0.4244 0.5934 0.6167 -0.0812 0.0781  -0.1389 1013 ALA A CB  \n2321 N N   . ASP A 319 ? 0.5321 0.5896 0.6430 -0.0823 0.0397  -0.0748 1014 ASP A N   \n2322 C CA  . ASP A 319 ? 0.6226 0.6129 0.7239 -0.1199 0.0453  -0.0693 1014 ASP A CA  \n2323 C C   . ASP A 319 ? 0.5970 0.6646 0.6975 -0.1764 0.0448  -0.0398 1014 ASP A C   \n2324 O O   . ASP A 319 ? 0.6587 0.7232 0.7680 -0.2406 0.0385  -0.0687 1014 ASP A O   \n2325 C CB  . ASP A 319 ? 0.7233 0.6058 0.8103 -0.0851 0.0324  -0.0213 1014 ASP A CB  \n2326 C CG  . ASP A 319 ? 0.8137 0.6253 0.9529 -0.0175 0.0037  -0.0512 1014 ASP A CG  \n2327 O OD1 . ASP A 319 ? 0.8747 0.6670 0.9920 0.0376  -0.0409 -0.0102 1014 ASP A OD1 \n2328 O OD2 . ASP A 319 ? 0.8178 0.6042 1.0262 -0.0159 0.0222  -0.1254 1014 ASP A OD2 \n2329 N N   . GLU A 320 ? 0.5407 0.6857 0.6524 -0.1496 0.0469  0.0025  1015 GLU A N   \n2330 C CA  . GLU A 320 ? 0.5245 0.7879 0.7036 -0.1792 0.0456  0.0241  1015 GLU A CA  \n2331 C C   . GLU A 320 ? 0.5173 0.8502 0.7074 -0.2017 -0.0073 0.0092  1015 GLU A C   \n2332 O O   . GLU A 320 ? 0.5194 0.9366 0.7715 -0.2527 -0.0414 0.0085  1015 GLU A O   \n2333 C CB  . GLU A 320 ? 0.5089 0.8318 0.7102 -0.1220 0.0733  0.0475  1015 GLU A CB  \n2334 C CG  . GLU A 320 ? 0.5582 1.0385 0.8974 -0.1232 0.0793  0.0563  1015 GLU A CG  \n2335 C CD  . GLU A 320 ? 0.6845 1.2425 1.1078 -0.1894 0.1358  0.0725  1015 GLU A CD  \n2336 O OE1 . GLU A 320 ? 0.8009 1.2555 1.1322 -0.2262 0.1840  0.0959  1015 GLU A OE1 \n2337 O OE2 . GLU A 320 ? 0.6698 1.3955 1.2684 -0.2079 0.1276  0.0693  1015 GLU A OE2 \n2338 N N   . TYR A 321 ? 0.4982 0.7968 0.6228 -0.1740 -0.0199 0.0036  1016 TYR A N   \n2339 C CA  . TYR A 321 ? 0.5728 0.9011 0.6373 -0.2033 -0.0675 0.0129  1016 TYR A CA  \n2340 C C   . TYR A 321 ? 0.7059 1.0180 0.6873 -0.2784 -0.0784 -0.0409 1016 TYR A C   \n2341 O O   . TYR A 321 ? 0.7910 1.1630 0.7340 -0.3233 -0.1466 -0.0333 1016 TYR A O   \n2342 C CB  . TYR A 321 ? 0.5731 0.8478 0.5729 -0.1820 -0.0514 0.0274  1016 TYR A CB  \n2343 C CG  . TYR A 321 ? 0.6933 0.9661 0.5685 -0.2280 -0.0883 0.0616  1016 TYR A CG  \n2344 C CD1 . TYR A 321 ? 0.8197 1.0613 0.5593 -0.2854 -0.0393 0.0187  1016 TYR A CD1 \n2345 C CD2 . TYR A 321 ? 0.7455 1.0444 0.6296 -0.2102 -0.1707 0.1389  1016 TYR A CD2 \n2346 C CE1 . TYR A 321 ? 0.9709 1.2003 0.5285 -0.3427 -0.0625 0.0607  1016 TYR A CE1 \n2347 C CE2 . TYR A 321 ? 0.9051 1.1751 0.6257 -0.2555 -0.2236 0.1979  1016 TYR A CE2 \n2348 C CZ  . TYR A 321 ? 1.0416 1.2732 0.5702 -0.3310 -0.1646 0.1630  1016 TYR A CZ  \n2349 O OH  . TYR A 321 ? 1.2663 1.4598 0.5689 -0.3904 -0.2062 0.2310  1016 TYR A OH  \n2350 N N   . LEU A 322 ? 0.7555 0.9818 0.7134 -0.2857 -0.0231 -0.1035 1017 LEU A N   \n2351 C CA  . LEU A 322 ? 0.9250 1.1021 0.8178 -0.3497 -0.0202 -0.1870 1017 LEU A CA  \n2352 C C   . LEU A 322 ? 0.9488 1.0930 0.9395 -0.3858 -0.0328 -0.1965 1017 LEU A C   \n2353 O O   . LEU A 322 ? 1.0989 1.2503 1.0749 -0.4646 -0.0745 -0.2454 1017 LEU A O   \n2354 C CB  . LEU A 322 ? 0.9952 1.0892 0.8539 -0.3269 0.0538  -0.2664 1017 LEU A CB  \n2355 C CG  . LEU A 322 ? 1.0816 1.2119 0.8215 -0.3398 0.0997  -0.2916 1017 LEU A CG  \n2356 C CD1 . LEU A 322 ? 0.9905 1.1568 0.8022 -0.2875 0.1248  -0.2275 1017 LEU A CD1 \n2357 C CD2 . LEU A 322 ? 1.2371 1.3129 0.9450 -0.3489 0.1810  -0.4240 1017 LEU A CD2 \n# \nloop_\n_pdbx_poly_seq_scheme.asym_id \n_pdbx_poly_seq_scheme.entity_id \n_pdbx_poly_seq_scheme.seq_id \n_pdbx_poly_seq_scheme.mon_id \n_pdbx_poly_seq_scheme.ndb_seq_num \n_pdbx_poly_seq_scheme.pdb_seq_num \n_pdbx_poly_seq_scheme.auth_seq_num \n_pdbx_poly_seq_scheme.pdb_mon_id \n_pdbx_poly_seq_scheme.auth_mon_id \n_pdbx_poly_seq_scheme.pdb_strand_id \n_pdbx_poly_seq_scheme.pdb_ins_code \n_pdbx_poly_seq_scheme.hetero \nA 1 1   GLY 1   696  ?    ?   ?   A . n \nA 1 2   GLU 2   697  ?    ?   ?   A . n \nA 1 3   ALA 3   698  ?    ?   ?   A . n \nA 1 4   PRO 4   699  ?    ?   ?   A . n \nA 1 5   ASN 5   700  ?    ?   ?   A . n \nA 1 6   GLN 6   701  701  GLN GLN A . n \nA 1 7   ALA 7   702  702  ALA ALA A . n \nA 1 8   LEU 8   703  703  LEU LEU A . n \nA 1 9   LEU 9   704  704  LEU LEU A . n \nA 1 10  ARG 10  705  705  ARG ARG A . n \nA 1 11  ILE 11  706  706  ILE ILE A . n \nA 1 12  LEU 12  707  707  LEU LEU A . n \nA 1 13  LYS 13  708  708  LYS LYS A . n \nA 1 14  GLU 14  709  709  GLU GLU A . n \nA 1 15  THR 15  710  710  THR THR A . n \nA 1 16  GLU 16  711  711  GLU GLU A . n \nA 1 17  PHE 17  712  712  PHE PHE A . n \nA 1 18  LYS 18  713  713  LYS LYS A . n \nA 1 19  LYS 19  714  714  LYS LYS A . n \nA 1 20  ILE 20  715  715  ILE ILE A . n \nA 1 21  LYS 21  716  716  LYS LYS A . n \nA 1 22  VAL 22  717  717  VAL VAL A . n \nA 1 23  LEU 23  718  718  LEU LEU A . n \nA 1 24  GLY 24  719  719  GLY GLY A . n \nA 1 25  SER 25  720  720  SER SER A . n \nA 1 26  GLY 26  721  721  GLY GLY A . n \nA 1 27  ALA 27  722  722  ALA ALA A . n \nA 1 28  PHE 28  723  723  PHE PHE A . n \nA 1 29  GLY 29  724  724  GLY GLY A . n \nA 1 30  THR 30  725  725  THR THR A . n \nA 1 31  VAL 31  726  726  VAL VAL A . n \nA 1 32  TYR 32  727  727  TYR TYR A . n \nA 1 33  LYS 33  728  728  LYS LYS A . n \nA 1 34  GLY 34  729  729  GLY GLY A . n \nA 1 35  LEU 35  730  730  LEU LEU A . n \nA 1 36  TRP 36  731  731  TRP TRP A . n \nA 1 37  ILE 37  732  732  ILE ILE A . n \nA 1 38  PRO 38  733  733  PRO PRO A . n \nA 1 39  GLU 39  734  ?    ?   ?   A . n \nA 1 40  GLY 40  735  ?    ?   ?   A . n \nA 1 41  GLU 41  736  ?    ?   ?   A . n \nA 1 42  LYS 42  737  ?    ?   ?   A . n \nA 1 43  VAL 43  738  738  VAL VAL A . n \nA 1 44  LYS 44  739  739  LYS LYS A . n \nA 1 45  ILE 45  740  740  ILE ILE A . n \nA 1 46  PRO 46  741  741  PRO PRO A . n \nA 1 47  VAL 47  742  742  VAL VAL A . n \nA 1 48  ALA 48  743  743  ALA ALA A . n \nA 1 49  ILE 49  744  744  ILE ILE A . n \nA 1 50  LYS 50  745  745  LYS LYS A . n \nA 1 51  GLU 51  746  746  GLU GLU A . n \nA 1 52  LEU 52  747  747  LEU LEU A . n \nA 1 53  ARG 53  748  ?    ?   ?   A . n \nA 1 54  GLU 54  749  ?    ?   ?   A . n \nA 1 55  ALA 55  750  ?    ?   ?   A . n \nA 1 56  THR 56  751  ?    ?   ?   A . n \nA 1 57  SER 57  752  ?    ?   ?   A . n \nA 1 58  PRO 58  753  ?    ?   ?   A . n \nA 1 59  LYS 59  754  ?    ?   ?   A . n \nA 1 60  ALA 60  755  755  ALA ALA A . n \nA 1 61  ASN 61  756  756  ASN ASN A . n \nA 1 62  LYS 62  757  757  LYS LYS A . n \nA 1 63  GLU 63  758  758  GLU GLU A . n \nA 1 64  ILE 64  759  759  ILE ILE A . n \nA 1 65  LEU 65  760  760  LEU LEU A . n \nA 1 66  ASP 66  761  761  ASP ASP A . n \nA 1 67  GLU 67  762  762  GLU GLU A . n \nA 1 68  ALA 68  763  763  ALA ALA A . n \nA 1 69  TYR 69  764  764  TYR TYR A . n \nA 1 70  VAL 70  765  765  VAL VAL A . n \nA 1 71  MET 71  766  766  MET MET A . n \nA 1 72  ALA 72  767  767  ALA ALA A . n \nA 1 73  SER 73  768  768  SER SER A . n \nA 1 74  VAL 74  769  769  VAL VAL A . n \nA 1 75  ASP 75  770  770  ASP ASP A . n \nA 1 76  ASN 76  771  771  ASN ASN A . n \nA 1 77  PRO 77  772  772  PRO PRO A . n \nA 1 78  HIS 78  773  773  HIS HIS A . n \nA 1 79  VAL 79  774  774  VAL VAL A . n \nA 1 80  CYS 80  775  775  CYS CYS A . n \nA 1 81  ARG 81  776  776  ARG ARG A . n \nA 1 82  LEU 82  777  777  LEU LEU A . n \nA 1 83  LEU 83  778  778  LEU LEU A . n \nA 1 84  GLY 84  779  779  GLY GLY A . n \nA 1 85  ILE 85  780  780  ILE ILE A . n \nA 1 86  CYS 86  781  781  CYS CYS A . n \nA 1 87  LEU 87  782  782  LEU LEU A . n \nA 1 88  THR 88  783  783  THR THR A . n \nA 1 89  SER 89  784  784  SER SER A . n \nA 1 90  THR 90  785  785  THR THR A . n \nA 1 91  VAL 91  786  786  VAL VAL A . n \nA 1 92  GLN 92  787  787  GLN GLN A . n \nA 1 93  LEU 93  788  788  LEU LEU A . n \nA 1 94  ILE 94  789  789  ILE ILE A . n \nA 1 95  THR 95  790  790  THR THR A . n \nA 1 96  GLN 96  791  791  GLN GLN A . n \nA 1 97  LEU 97  792  792  LEU LEU A . n \nA 1 98  MET 98  793  793  MET MET A . n \nA 1 99  PRO 99  794  794  PRO PRO A . n \nA 1 100 PHE 100 795  795  PHE PHE A . n \nA 1 101 GLY 101 796  796  GLY GLY A . n \nA 1 102 CYS 102 797  797  CYS CYS A . n \nA 1 103 LEU 103 798  798  LEU LEU A . n \nA 1 104 LEU 104 799  799  LEU LEU A . n \nA 1 105 ASP 105 800  800  ASP ASP A . n \nA 1 106 TYR 106 801  801  TYR TYR A . n \nA 1 107 VAL 107 802  802  VAL VAL A . n \nA 1 108 ARG 108 803  803  ARG ARG A . n \nA 1 109 GLU 109 804  804  GLU GLU A . n \nA 1 110 HIS 110 805  805  HIS HIS A . n \nA 1 111 LYS 111 806  806  LYS LYS A . n \nA 1 112 ASP 112 807  807  ASP ASP A . n \nA 1 113 ASN 113 808  808  ASN ASN A . n \nA 1 114 ILE 114 809  809  ILE ILE A . n \nA 1 115 GLY 115 810  810  GLY GLY A . n \nA 1 116 SER 116 811  811  SER SER A . n \nA 1 117 GLN 117 812  812  GLN GLN A . n \nA 1 118 TYR 118 813  813  TYR TYR A . n \nA 1 119 LEU 119 814  814  LEU LEU A . n \nA 1 120 LEU 120 815  815  LEU LEU A . n \nA 1 121 ASN 121 816  816  ASN ASN A . n \nA 1 122 TRP 122 817  817  TRP TRP A . n \nA 1 123 CYS 123 818  818  CYS CYS A . n \nA 1 124 VAL 124 819  819  VAL VAL A . n \nA 1 125 GLN 125 820  820  GLN GLN A . n \nA 1 126 ILE 126 821  821  ILE ILE A . n \nA 1 127 ALA 127 822  822  ALA ALA A . n \nA 1 128 LYS 128 823  823  LYS LYS A . n \nA 1 129 GLY 129 824  824  GLY GLY A . n \nA 1 130 MET 130 825  825  MET MET A . n \nA 1 131 ASN 131 826  826  ASN ASN A . n \nA 1 132 TYR 132 827  827  TYR TYR A . n \nA 1 133 LEU 133 828  828  LEU LEU A . n \nA 1 134 GLU 134 829  829  GLU GLU A . n \nA 1 135 ASP 135 830  830  ASP ASP A . n \nA 1 136 ARG 136 831  831  ARG ARG A . n \nA 1 137 ARG 137 832  832  ARG ARG A . n \nA 1 138 LEU 138 833  833  LEU LEU A . n \nA 1 139 VAL 139 834  834  VAL VAL A . n \nA 1 140 HIS 140 835  835  HIS HIS A . n \nA 1 141 ARG 141 836  836  ARG ARG A . n \nA 1 142 ASP 142 837  837  ASP ASP A . n \nA 1 143 LEU 143 838  838  LEU LEU A . n \nA 1 144 ALA 144 839  839  ALA ALA A . n \nA 1 145 ALA 145 840  840  ALA ALA A . n \nA 1 146 ARG 146 841  841  ARG ARG A . n \nA 1 147 ASN 147 842  842  ASN ASN A . n \nA 1 148 VAL 148 843  843  VAL VAL A . n \nA 1 149 LEU 149 844  844  LEU LEU A . n \nA 1 150 VAL 150 845  845  VAL VAL A . n \nA 1 151 LYS 151 846  846  LYS LYS A . n \nA 1 152 THR 152 847  847  THR THR A . n \nA 1 153 PRO 153 848  848  PRO PRO A . n \nA 1 154 GLN 154 849  849  GLN GLN A . n \nA 1 155 HIS 155 850  850  HIS HIS A . n \nA 1 156 VAL 156 851  851  VAL VAL A . n \nA 1 157 LYS 157 852  852  LYS LYS A . n \nA 1 158 ILE 158 853  853  ILE ILE A . n \nA 1 159 THR 159 854  854  THR THR A . n \nA 1 160 ASP 160 855  855  ASP ASP A . n \nA 1 161 PHE 161 856  856  PHE PHE A . n \nA 1 162 GLY 162 857  857  GLY GLY A . n \nA 1 163 LEU 163 858  858  LEU LEU A . n \nA 1 164 ALA 164 859  859  ALA ALA A . n \nA 1 165 LYS 165 860  860  LYS LYS A . n \nA 1 166 LEU 166 861  861  LEU LEU A . n \nA 1 167 LEU 167 862  862  LEU LEU A . n \nA 1 168 GLY 168 863  863  GLY GLY A . n \nA 1 169 ALA 169 864  864  ALA ALA A . n \nA 1 170 GLU 170 865  865  GLU GLU A . n \nA 1 171 GLU 171 866  866  GLU GLU A . n \nA 1 172 LYS 172 867  867  LYS LYS A . n \nA 1 173 GLU 173 868  ?    ?   ?   A . n \nA 1 174 TYR 174 869  ?    ?   ?   A . n \nA 1 175 HIS 175 870  ?    ?   ?   A . n \nA 1 176 ALA 176 871  ?    ?   ?   A . n \nA 1 177 GLU 177 872  ?    ?   ?   A . n \nA 1 178 GLY 178 873  ?    ?   ?   A . n \nA 1 179 GLY 179 874  ?    ?   ?   A . n \nA 1 180 LYS 180 875  875  LYS LYS A . n \nA 1 181 VAL 181 876  876  VAL VAL A . n \nA 1 182 PRO 182 877  877  PRO PRO A . n \nA 1 183 ILE 183 878  878  ILE ILE A . n \nA 1 184 LYS 184 879  879  LYS LYS A . n \nA 1 185 TRP 185 880  880  TRP TRP A . n \nA 1 186 MET 186 881  881  MET MET A . n \nA 1 187 ALA 187 882  882  ALA ALA A . n \nA 1 188 LEU 188 883  883  LEU LEU A . n \nA 1 189 GLU 189 884  884  GLU GLU A . n \nA 1 190 SER 190 885  885  SER SER A . n \nA 1 191 ILE 191 886  886  ILE ILE A . n \nA 1 192 LEU 192 887  887  LEU LEU A . n \nA 1 193 HIS 193 888  888  HIS HIS A . n \nA 1 194 ARG 194 889  889  ARG ARG A . n \nA 1 195 ILE 195 890  890  ILE ILE A . n \nA 1 196 TYR 196 891  891  TYR TYR A . n \nA 1 197 THR 197 892  892  THR THR A . n \nA 1 198 HIS 198 893  893  HIS HIS A . n \nA 1 199 GLN 199 894  894  GLN GLN A . n \nA 1 200 SER 200 895  895  SER SER A . n \nA 1 201 ASP 201 896  896  ASP ASP A . n \nA 1 202 VAL 202 897  897  VAL VAL A . n \nA 1 203 TRP 203 898  898  TRP TRP A . n \nA 1 204 SER 204 899  899  SER SER A . n \nA 1 205 TYR 205 900  900  TYR TYR A . n \nA 1 206 GLY 206 901  901  GLY GLY A . n \nA 1 207 VAL 207 902  902  VAL VAL A . n \nA 1 208 THR 208 903  903  THR THR A . n \nA 1 209 VAL 209 904  904  VAL VAL A . n \nA 1 210 TRP 210 905  905  TRP TRP A . n \nA 1 211 GLU 211 906  906  GLU GLU A . n \nA 1 212 LEU 212 907  907  LEU LEU A . n \nA 1 213 MET 213 908  908  MET MET A . n \nA 1 214 THR 214 909  909  THR THR A . n \nA 1 215 PHE 215 910  910  PHE PHE A . n \nA 1 216 GLY 216 911  911  GLY GLY A . n \nA 1 217 SER 217 912  912  SER SER A . n \nA 1 218 LYS 218 913  913  LYS LYS A . n \nA 1 219 PRO 219 914  914  PRO PRO A . n \nA 1 220 TYR 220 915  915  TYR TYR A . n \nA 1 221 ASP 221 916  916  ASP ASP A . n \nA 1 222 GLY 222 917  917  GLY GLY A . n \nA 1 223 ILE 223 918  918  ILE ILE A . n \nA 1 224 PRO 224 919  919  PRO PRO A . n \nA 1 225 ALA 225 920  920  ALA ALA A . n \nA 1 226 SER 226 921  921  SER SER A . n \nA 1 227 GLU 227 922  922  GLU GLU A . n \nA 1 228 ILE 228 923  923  ILE ILE A . n \nA 1 229 SER 229 924  924  SER SER A . n \nA 1 230 SER 230 925  925  SER SER A . n \nA 1 231 ILE 231 926  926  ILE ILE A . n \nA 1 232 LEU 232 927  927  LEU LEU A . n \nA 1 233 GLU 233 928  928  GLU GLU A . n \nA 1 234 LYS 234 929  929  LYS LYS A . n \nA 1 235 GLY 235 930  930  GLY GLY A . n \nA 1 236 GLU 236 931  931  GLU GLU A . n \nA 1 237 ARG 237 932  932  ARG ARG A . n \nA 1 238 LEU 238 933  933  LEU LEU A . n \nA 1 239 PRO 239 934  934  PRO PRO A . n \nA 1 240 GLN 240 935  935  GLN GLN A . n \nA 1 241 PRO 241 936  936  PRO PRO A . n \nA 1 242 PRO 242 937  937  PRO PRO A . n \nA 1 243 ILE 243 938  938  ILE ILE A . n \nA 1 244 CYS 244 939  939  CYS CYS A . n \nA 1 245 THR 245 940  940  THR THR A . n \nA 1 246 ILE 246 941  941  ILE ILE A . n \nA 1 247 ASP 247 942  942  ASP ASP A . n \nA 1 248 VAL 248 943  943  VAL VAL A . n \nA 1 249 TYR 249 944  944  TYR TYR A . n \nA 1 250 MET 250 945  945  MET MET A . n \nA 1 251 ILE 251 946  946  ILE ILE A . n \nA 1 252 MET 252 947  947  MET MET A . n \nA 1 253 VAL 253 948  948  VAL VAL A . n \nA 1 254 LYS 254 949  949  LYS LYS A . n \nA 1 255 CYS 255 950  950  CYS CYS A . n \nA 1 256 TRP 256 951  951  TRP TRP A . n \nA 1 257 MET 257 952  952  MET MET A . n \nA 1 258 ILE 258 953  953  ILE ILE A . n \nA 1 259 ASP 259 954  954  ASP ASP A . n \nA 1 260 ALA 260 955  955  ALA ALA A . n \nA 1 261 ASP 261 956  956  ASP ASP A . n \nA 1 262 SER 262 957  957  SER SER A . n \nA 1 263 ARG 263 958  958  ARG ARG A . n \nA 1 264 PRO 264 959  959  PRO PRO A . n \nA 1 265 LYS 265 960  960  LYS LYS A . n \nA 1 266 PHE 266 961  961  PHE PHE A . n \nA 1 267 ARG 267 962  962  ARG ARG A . n \nA 1 268 GLU 268 963  963  GLU GLU A . n \nA 1 269 LEU 269 964  964  LEU LEU A . n \nA 1 270 ILE 270 965  965  ILE ILE A . n \nA 1 271 ILE 271 966  966  ILE ILE A . n \nA 1 272 GLU 272 967  967  GLU GLU A . n \nA 1 273 PHE 273 968  968  PHE PHE A . n \nA 1 274 SER 274 969  969  SER SER A . n \nA 1 275 LYS 275 970  970  LYS LYS A . n \nA 1 276 MET 276 971  971  MET MET A . n \nA 1 277 ALA 277 972  972  ALA ALA A . n \nA 1 278 ARG 278 973  973  ARG ARG A . n \nA 1 279 ASP 279 974  974  ASP ASP A . n \nA 1 280 PRO 280 975  975  PRO PRO A . n \nA 1 281 GLN 281 976  976  GLN GLN A . n \nA 1 282 ARG 282 977  977  ARG ARG A . n \nA 1 283 TYR 283 978  978  TYR TYR A . n \nA 1 284 LEU 284 979  979  LEU LEU A . n \nA 1 285 VAL 285 980  980  VAL VAL A . n \nA 1 286 ILE 286 981  981  ILE ILE A . n \nA 1 287 GLN 287 982  982  GLN GLN A . n \nA 1 288 GLY 288 983  983  GLY GLY A . n \nA 1 289 ASP 289 984  984  ASP ASP A . n \nA 1 290 GLU 290 985  985  GLU GLU A . n \nA 1 291 ARG 291 986  986  ARG ARG A . n \nA 1 292 MET 292 987  987  MET MET A . n \nA 1 293 HIS 293 988  988  HIS HIS A . n \nA 1 294 LEU 294 989  989  LEU LEU A . n \nA 1 295 PRO 295 990  990  PRO PRO A . n \nA 1 296 SER 296 991  991  SER SER A . n \nA 1 297 PRO 297 992  992  PRO PRO A . n \nA 1 298 THR 298 993  993  THR THR A . n \nA 1 299 ASP 299 994  994  ASP ASP A . n \nA 1 300 SER 300 995  995  SER SER A . n \nA 1 301 ASN 301 996  996  ASN ASN A . n \nA 1 302 PHE 302 997  997  PHE PHE A . n \nA 1 303 TYR 303 998  998  TYR TYR A . n \nA 1 304 ARG 304 999  999  ARG ARG A . n \nA 1 305 ALA 305 1000 1000 ALA ALA A . n \nA 1 306 LEU 306 1001 1001 LEU LEU A . n \nA 1 307 MET 307 1002 1002 MET MET A . n \nA 1 308 ASP 308 1003 1003 ASP ASP A . n \nA 1 309 GLU 309 1004 ?    ?   ?   A . n \nA 1 310 GLU 310 1005 ?    ?   ?   A . n \nA 1 311 ASP 311 1006 ?    ?   ?   A . n \nA 1 312 MET 312 1007 ?    ?   ?   A . n \nA 1 313 ASP 313 1008 ?    ?   ?   A . n \nA 1 314 ASP 314 1009 ?    ?   ?   A . n \nA 1 315 VAL 315 1010 1010 VAL VAL A . n \nA 1 316 VAL 316 1011 1011 VAL VAL A . n \nA 1 317 ASP 317 1012 1012 ASP ASP A . n \nA 1 318 ALA 318 1013 1013 ALA ALA A . n \nA 1 319 ASP 319 1014 1014 ASP ASP A . n \nA 1 320 GLU 320 1015 1015 GLU GLU A . n \nA 1 321 TYR 321 1016 1016 TYR TYR A . n \nA 1 322 LEU 322 1017 1017 LEU LEU A . n \nA 1 323 ILE 323 1018 ?    ?   ?   A . n \nA 1 324 PRO 324 1019 ?    ?   ?   A . n \nA 1 325 GLN 325 1020 ?    ?   ?   A . n \nA 1 326 GLN 326 1021 ?    ?   ?   A . n \nA 1 327 GLY 327 1022 ?    ?   ?   A . n \n# \n_pdbx_struct_assembly.id                   1 \n_pdbx_struct_assembly.details              author_and_software_defined_assembly \n_pdbx_struct_assembly.method_details       PISA \n_pdbx_struct_assembly.oligomeric_details   monomeric \n_pdbx_struct_assembly.oligomeric_count     1 \n# \n_pdbx_struct_assembly_gen.assembly_id       1 \n_pdbx_struct_assembly_gen.oper_expression   1 \n_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F \n# \n_pdbx_struct_oper_list.id                   1 \n_pdbx_struct_oper_list.type                 'identity operation' \n_pdbx_struct_oper_list.name                 1_555 \n_pdbx_struct_oper_list.symmetry_operation   x,y,z \n_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 \n_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 \n_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 \n_pdbx_struct_oper_list.vector[1]            0.0000000000 \n_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 \n_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 \n_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 \n_pdbx_struct_oper_list.vector[2]            0.0000000000 \n_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 \n_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 \n_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 \n_pdbx_struct_oper_list.vector[3]            0.0000000000 \n# \nloop_\n_pdbx_audit_revision_history.ordinal \n_pdbx_audit_revision_history.data_content_type \n_pdbx_audit_revision_history.major_revision \n_pdbx_audit_revision_history.minor_revision \n_pdbx_audit_revision_history.revision_date \n1 'Structure model' 1 0 2011-03-30 \n2 'Structure model' 1 1 2011-07-13 \n# \n_pdbx_audit_revision_details.ordinal             1 \n_pdbx_audit_revision_details.revision_ordinal    1 \n_pdbx_audit_revision_details.data_content_type   'Structure model' \n_pdbx_audit_revision_details.provider            repository \n_pdbx_audit_revision_details.type                'Initial release' \n_pdbx_audit_revision_details.description         ? \n# \n_pdbx_audit_revision_group.ordinal             1 \n_pdbx_audit_revision_group.revision_ordinal    2 \n_pdbx_audit_revision_group.data_content_type   'Structure model' \n_pdbx_audit_revision_group.group               'Version format compliance' \n# \nloop_\n_pdbx_refine_tls.pdbx_refine_id \n_pdbx_refine_tls.id \n_pdbx_refine_tls.details \n_pdbx_refine_tls.method \n_pdbx_refine_tls.origin_x \n_pdbx_refine_tls.origin_y \n_pdbx_refine_tls.origin_z \n_pdbx_refine_tls.T[1][1] \n_pdbx_refine_tls.T[2][2] \n_pdbx_refine_tls.T[3][3] \n_pdbx_refine_tls.T[1][2] \n_pdbx_refine_tls.T[1][3] \n_pdbx_refine_tls.T[2][3] \n_pdbx_refine_tls.L[1][1] \n_pdbx_refine_tls.L[2][2] \n_pdbx_refine_tls.L[3][3] \n_pdbx_refine_tls.L[1][2] \n_pdbx_refine_tls.L[1][3] \n_pdbx_refine_tls.L[2][3] \n_pdbx_refine_tls.S[1][1] \n_pdbx_refine_tls.S[1][2] \n_pdbx_refine_tls.S[1][3] \n_pdbx_refine_tls.S[2][1] \n_pdbx_refine_tls.S[2][2] \n_pdbx_refine_tls.S[2][3] \n_pdbx_refine_tls.S[3][1] \n_pdbx_refine_tls.S[3][2] \n_pdbx_refine_tls.S[3][3] \n'X-RAY DIFFRACTION' 1 ? refined 12.7724 35.7633 5.2480  0.1133 0.0853 0.0324 -0.0188 -0.0325 0.0018  1.3227  2.8811  2.2657  \n0.2198  0.6671  0.8984  -0.2017 0.1806  0.0668  -0.3304 0.1481 0.1720  -0.4274 0.1856  0.0536  \n'X-RAY DIFFRACTION' 2 ? refined 24.6906 18.4830 18.0931 0.0498 0.0402 0.0311 0.0132  -0.0129 -0.0239 0.9727  1.2554  2.0024  \n-0.0545 -0.1333 -0.0317 -0.0160 0.0250  -0.0429 0.1878  0.0117 -0.0364 -0.1533 0.0851  0.0044  \n'X-RAY DIFFRACTION' 3 ? refined 9.5266  32.3619 31.0977 0.2981 0.3025 0.3208 -0.0331 0.0616  -0.1365 3.5904  14.7433 5.8061  \n-7.1627 2.4755  -5.3241 -0.5846 -0.5077 -0.0773 1.1615  0.8243 0.5252  -0.1778 -0.9251 -0.2397 \n'X-RAY DIFFRACTION' 4 ? refined -0.5626 33.7221 11.1088 0.0533 0.2871 0.1625 -0.1035 0.0060  0.0032  29.7079 33.7928 23.8057 \n4.7355  2.6590  4.6178  -0.8586 0.9224  -0.2297 -0.5752 0.9822 0.7381  0.5049  -1.3298 -0.1236 \n# \nloop_\n_pdbx_refine_tls_group.pdbx_refine_id \n_pdbx_refine_tls_group.id \n_pdbx_refine_tls_group.refine_tls_id \n_pdbx_refine_tls_group.beg_auth_asym_id \n_pdbx_refine_tls_group.beg_auth_seq_id \n_pdbx_refine_tls_group.beg_label_asym_id \n_pdbx_refine_tls_group.beg_label_seq_id \n_pdbx_refine_tls_group.end_auth_asym_id \n_pdbx_refine_tls_group.end_auth_seq_id \n_pdbx_refine_tls_group.end_label_asym_id \n_pdbx_refine_tls_group.end_label_seq_id \n_pdbx_refine_tls_group.selection \n_pdbx_refine_tls_group.selection_details \n'X-RAY DIFFRACTION' 1 1 A 701  ? ? A 793  ? ? ? ? \n'X-RAY DIFFRACTION' 2 1 A 1023 ? ? A 1023 ? ? ? ? \n'X-RAY DIFFRACTION' 3 2 A 794  ? ? A 982  ? ? ? ? \n'X-RAY DIFFRACTION' 4 3 A 983  ? ? A 1003 ? ? ? ? \n'X-RAY DIFFRACTION' 5 4 A 1010 ? ? A 1017 ? ? ? ? \n# \nloop_\n_software.name \n_software.classification \n_software.version \n_software.citation_id \n_software.compiler_name \n_software.compiler_version \n_software.contact_author \n_software.contact_author_email \n_software.date \n_software.dependencies \n_software.description \n_software.hardware \n_software.language \n_software.location \n_software.mods \n_software.os \n_software.os_version \n_software.type \n_software.pdbx_ordinal \nd*TREK 'data scaling'   .        ? ? ? ? ? ? ? ? ? ? ? ? ? ? program 1 \nd*TREK 'data reduction' .        ? ? ? ? ? ? ? ? ? ? ? ? ? ? program 2 \nMOLREP phasing          .        ? ? ? ? ? ? ? ? ? ? ? ? ? ? program 3 \nREFMAC refinement       5.5.0109 ? ? ? ? ? ? ? ? ? ? ? ? ? ? program 4 \nCoot   'model building' .        ? ? ? ? ? ? ? ? ? ? ? ? ? ? program 5 \n# \nloop_\n_pdbx_validate_torsion.id \n_pdbx_validate_torsion.PDB_model_num \n_pdbx_validate_torsion.auth_comp_id \n_pdbx_validate_torsion.auth_asym_id \n_pdbx_validate_torsion.auth_seq_id \n_pdbx_validate_torsion.PDB_ins_code \n_pdbx_validate_torsion.label_alt_id \n_pdbx_validate_torsion.phi \n_pdbx_validate_torsion.psi \n1 1 PHE A 723 ? ? 98.25   -6.13   \n2 1 THR A 783 ? ? -122.81 -126.68 \n3 1 ARG A 836 ? ? 77.16   -8.09   \n4 1 ASP A 837 ? ? -145.81 39.72   \n# \nloop_\n_pdbx_unobs_or_zero_occ_residues.id \n_pdbx_unobs_or_zero_occ_residues.PDB_model_num \n_pdbx_unobs_or_zero_occ_residues.polymer_flag \n_pdbx_unobs_or_zero_occ_residues.occupancy_flag \n_pdbx_unobs_or_zero_occ_residues.auth_asym_id \n_pdbx_unobs_or_zero_occ_residues.auth_comp_id \n_pdbx_unobs_or_zero_occ_residues.auth_seq_id \n_pdbx_unobs_or_zero_occ_residues.PDB_ins_code \n_pdbx_unobs_or_zero_occ_residues.label_asym_id \n_pdbx_unobs_or_zero_occ_residues.label_comp_id \n_pdbx_unobs_or_zero_occ_residues.label_seq_id \n1  1 Y 1 A GLY 696  ? A GLY 1   \n2  1 Y 1 A GLU 697  ? A GLU 2   \n3  1 Y 1 A ALA 698  ? A ALA 3   \n4  1 Y 1 A PRO 699  ? A PRO 4   \n5  1 Y 1 A ASN 700  ? A ASN 5   \n6  1 Y 1 A GLU 734  ? A GLU 39  \n7  1 Y 1 A GLY 735  ? A GLY 40  \n8  1 Y 1 A GLU 736  ? A GLU 41  \n9  1 Y 1 A LYS 737  ? A LYS 42  \n10 1 Y 1 A ARG 748  ? A ARG 53  \n11 1 Y 1 A GLU 749  ? A GLU 54  \n12 1 Y 1 A ALA 750  ? A ALA 55  \n13 1 Y 1 A THR 751  ? A THR 56  \n14 1 Y 1 A SER 752  ? A SER 57  \n15 1 Y 1 A PRO 753  ? A PRO 58  \n16 1 Y 1 A LYS 754  ? A LYS 59  \n17 1 Y 1 A GLU 868  ? A GLU 173 \n18 1 Y 1 A TYR 869  ? A TYR 174 \n19 1 Y 1 A HIS 870  ? A HIS 175 \n20 1 Y 1 A ALA 871  ? A ALA 176 \n21 1 Y 1 A GLU 872  ? A GLU 177 \n22 1 Y 1 A GLY 873  ? A GLY 178 \n23 1 Y 1 A GLY 874  ? A GLY 179 \n24 1 Y 1 A GLU 1004 ? A GLU 309 \n25 1 Y 1 A GLU 1005 ? A GLU 310 \n26 1 Y 1 A ASP 1006 ? A ASP 311 \n27 1 Y 1 A MET 1007 ? A MET 312 \n28 1 Y 1 A ASP 1008 ? A ASP 313 \n29 1 Y 1 A ASP 1009 ? A ASP 314 \n30 1 Y 1 A ILE 1018 ? A ILE 323 \n31 1 Y 1 A PRO 1019 ? A PRO 324 \n32 1 Y 1 A GLN 1020 ? A GLN 325 \n33 1 Y 1 A GLN 1021 ? A GLN 326 \n34 1 Y 1 A GLY 1022 ? A GLY 327 \n# \nloop_\n_pdbx_entity_nonpoly.entity_id \n_pdbx_entity_nonpoly.name \n_pdbx_entity_nonpoly.comp_id \n2 'SULFATE ION' SO4 \n3 \n'N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide' \n03P \n4 water HOH \n# \nloop_\n_pdbx_nonpoly_scheme.asym_id \n_pdbx_nonpoly_scheme.entity_id \n_pdbx_nonpoly_scheme.mon_id \n_pdbx_nonpoly_scheme.ndb_seq_num \n_pdbx_nonpoly_scheme.pdb_seq_num \n_pdbx_nonpoly_scheme.auth_seq_num \n_pdbx_nonpoly_scheme.pdb_mon_id \n_pdbx_nonpoly_scheme.auth_mon_id \n_pdbx_nonpoly_scheme.pdb_strand_id \n_pdbx_nonpoly_scheme.pdb_ins_code \nB 2 SO4 1   1    1   SO4 SO4 A . \nC 2 SO4 1   2    2   SO4 SO4 A . \nD 2 SO4 1   3    3   SO4 SO4 A . \nE 3 03P 1   1023 1   03P 03P A . \nF 4 HOH 1   4    4   HOH HOH A . \nF 4 HOH 2   5    5   HOH HOH A . \nF 4 HOH 3   6    6   HOH HOH A . \nF 4 HOH 4   7    7   HOH HOH A . \nF 4 HOH 5   8    8   HOH HOH A . \nF 4 HOH 6   9    9   HOH HOH A . \nF 4 HOH 7   10   10  HOH HOH A . \nF 4 HOH 8   11   11  HOH HOH A . \nF 4 HOH 9   12   12  HOH HOH A . \nF 4 HOH 10  13   13  HOH HOH A . \nF 4 HOH 11  14   14  HOH HOH A . \nF 4 HOH 12  15   15  HOH HOH A . \nF 4 HOH 13  16   16  HOH HOH A . \nF 4 HOH 14  17   17  HOH HOH A . \nF 4 HOH 15  18   18  HOH HOH A . \nF 4 HOH 16  19   19  HOH HOH A . \nF 4 HOH 17  20   20  HOH HOH A . \nF 4 HOH 18  21   21  HOH HOH A . \nF 4 HOH 19  22   22  HOH HOH A . \nF 4 HOH 20  23   23  HOH HOH A . \nF 4 HOH 21  24   24  HOH HOH A . \nF 4 HOH 22  25   25  HOH HOH A . \nF 4 HOH 23  26   26  HOH HOH A . \nF 4 HOH 24  27   27  HOH HOH A . \nF 4 HOH 25  28   28  HOH HOH A . \nF 4 HOH 26  29   29  HOH HOH A . \nF 4 HOH 27  30   30  HOH HOH A . \nF 4 HOH 28  31   31  HOH HOH A . \nF 4 HOH 29  32   32  HOH HOH A . \nF 4 HOH 30  33   33  HOH HOH A . \nF 4 HOH 31  34   34  HOH HOH A . \nF 4 HOH 32  35   35  HOH HOH A . \nF 4 HOH 33  36   36  HOH HOH A . \nF 4 HOH 34  37   37  HOH HOH A . \nF 4 HOH 35  38   38  HOH HOH A . \nF 4 HOH 36  39   39  HOH HOH A . \nF 4 HOH 37  40   40  HOH HOH A . \nF 4 HOH 38  41   41  HOH HOH A . \nF 4 HOH 39  42   42  HOH HOH A . \nF 4 HOH 40  43   43  HOH HOH A . \nF 4 HOH 41  44   44  HOH HOH A . \nF 4 HOH 42  45   45  HOH HOH A . \nF 4 HOH 43  46   46  HOH HOH A . \nF 4 HOH 44  47   47  HOH HOH A . \nF 4 HOH 45  48   48  HOH HOH A . \nF 4 HOH 46  49   49  HOH HOH A . \nF 4 HOH 47  50   50  HOH HOH A . \nF 4 HOH 48  51   51  HOH HOH A . \nF 4 HOH 49  52   52  HOH HOH A . \nF 4 HOH 50  53   53  HOH HOH A . \nF 4 HOH 51  54   54  HOH HOH A . \nF 4 HOH 52  55   55  HOH HOH A . \nF 4 HOH 53  56   56  HOH HOH A . \nF 4 HOH 54  57   57  HOH HOH A . \nF 4 HOH 55  58   58  HOH HOH A . \nF 4 HOH 56  59   59  HOH HOH A . \nF 4 HOH 57  60   60  HOH HOH A . \nF 4 HOH 58  61   61  HOH HOH A . \nF 4 HOH 59  62   62  HOH HOH A . \nF 4 HOH 60  63   63  HOH HOH A . \nF 4 HOH 61  64   64  HOH HOH A . \nF 4 HOH 62  65   65  HOH HOH A . \nF 4 HOH 63  66   66  HOH HOH A . \nF 4 HOH 64  67   67  HOH HOH A . \nF 4 HOH 65  68   68  HOH HOH A . \nF 4 HOH 66  69   69  HOH HOH A . \nF 4 HOH 67  70   70  HOH HOH A . \nF 4 HOH 68  71   71  HOH HOH A . \nF 4 HOH 69  72   72  HOH HOH A . \nF 4 HOH 70  73   73  HOH HOH A . \nF 4 HOH 71  74   74  HOH HOH A . \nF 4 HOH 72  75   75  HOH HOH A . \nF 4 HOH 73  76   76  HOH HOH A . \nF 4 HOH 74  77   77  HOH HOH A . \nF 4 HOH 75  78   78  HOH HOH A . \nF 4 HOH 76  79   79  HOH HOH A . \nF 4 HOH 77  80   80  HOH HOH A . \nF 4 HOH 78  81   81  HOH HOH A . \nF 4 HOH 79  82   82  HOH HOH A . \nF 4 HOH 80  83   83  HOH HOH A . \nF 4 HOH 81  84   84  HOH HOH A . \nF 4 HOH 82  85   85  HOH HOH A . \nF 4 HOH 83  86   86  HOH HOH A . \nF 4 HOH 84  87   87  HOH HOH A . \nF 4 HOH 85  88   88  HOH HOH A . \nF 4 HOH 86  89   89  HOH HOH A . \nF 4 HOH 87  90   90  HOH HOH A . \nF 4 HOH 88  91   91  HOH HOH A . \nF 4 HOH 89  92   92  HOH HOH A . \nF 4 HOH 90  93   93  HOH HOH A . \nF 4 HOH 91  94   94  HOH HOH A . \nF 4 HOH 92  95   95  HOH HOH A . \nF 4 HOH 93  96   96  HOH HOH A . \nF 4 HOH 94  97   97  HOH HOH A . \nF 4 HOH 95  98   98  HOH HOH A . \nF 4 HOH 96  99   99  HOH HOH A . \nF 4 HOH 97  100  100 HOH HOH A . \nF 4 HOH 98  101  101 HOH HOH A . \nF 4 HOH 99  102  102 HOH HOH A . \nF 4 HOH 100 103  103 HOH HOH A . \nF 4 HOH 101 104  104 HOH HOH A . \nF 4 HOH 102 105  105 HOH HOH A . \nF 4 HOH 103 106  106 HOH HOH A . \nF 4 HOH 104 107  107 HOH HOH A . \nF 4 HOH 105 108  108 HOH HOH A . \nF 4 HOH 106 109  109 HOH HOH A . \nF 4 HOH 107 110  110 HOH HOH A . \nF 4 HOH 108 111  111 HOH HOH A . \nF 4 HOH 109 112  112 HOH HOH A . \nF 4 HOH 110 113  113 HOH HOH A . \nF 4 HOH 111 114  114 HOH HOH A . \nF 4 HOH 112 115  115 HOH HOH A . \nF 4 HOH 113 116  116 HOH HOH A . \nF 4 HOH 114 117  117 HOH HOH A . \nF 4 HOH 115 118  118 HOH HOH A . \nF 4 HOH 116 119  119 HOH HOH A . \nF 4 HOH 117 120  120 HOH HOH A . \nF 4 HOH 118 121  121 HOH HOH A . \nF 4 HOH 119 122  122 HOH HOH A . \nF 4 HOH 120 123  123 HOH HOH A . \nF 4 HOH 121 124  124 HOH HOH A . \nF 4 HOH 122 125  125 HOH HOH A . \nF 4 HOH 123 126  126 HOH HOH A . \nF 4 HOH 124 1024 1   HOH HOH A . \nF 4 HOH 125 1025 2   HOH HOH A . \nF 4 HOH 126 1026 3   HOH HOH A . \n# \n",
                    "binary": false
                  }
                ],
                "kwargs": {
                  "defaultRepresentation": true,
                  "ext": "cif"
                }
              },
              {
                "component_index": 0,
                "target": "compList",
                "type": "call_method",
                "methodName": "addRepresentation",
                "reconstruc_color_scheme": false,
                "args": [
                  "ball+stick"
                ],
                "kwargs": {
                  "sele": "hetero and not water"
                }
              }
            ],
            "_ngl_original_stage_parameters": {
              "impostor": true,
              "quality": "medium",
              "workerDefault": true,
              "sampleLevel": 0,
              "backgroundColor": "white",
              "rotateSpeed": 2,
              "zoomSpeed": 1.2,
              "panSpeed": 1,
              "clipNear": 0,
              "clipFar": 100,
              "clipDist": 10,
              "clipMode": "scene",
              "clipScale": "relative",
              "fogNear": 50,
              "fogFar": 100,
              "cameraFov": 40,
              "cameraEyeSep": 0.3,
              "cameraType": "perspective",
              "lightColor": 14540253,
              "lightIntensity": 1,
              "ambientColor": 14540253,
              "ambientIntensity": 0.2,
              "hoverTimeout": 0,
              "tooltip": true,
              "mousePreset": "default"
            },
            "_ngl_repr_dict": {
              "0": {
                "0": {
                  "type": "cartoon",
                  "params": {
                    "lazy": false,
                    "visible": true,
                    "quality": "high",
                    "aspectRatio": 5,
                    "subdiv": 6,
                    "radialSegments": 20,
                    "tension": null,
                    "capped": true,
                    "smoothSheet": false,
                    "radiusType": "sstruc",
                    "radiusData": {},
                    "radiusSize": 1,
                    "radiusScale": 0.7,
                    "assembly": "default",
                    "defaultAssembly": "BU1",
                    "clipNear": 0,
                    "clipRadius": 0,
                    "clipCenter": {
                      "x": 0,
                      "y": 0,
                      "z": 0
                    },
                    "flatShaded": false,
                    "opacity": 1,
                    "depthWrite": true,
                    "side": "double",
                    "wireframe": false,
                    "colorScheme": "residueindex",
                    "colorScale": "spectral",
                    "colorReverse": true,
                    "colorValue": 9474192,
                    "colorMode": "hcl",
                    "roughness": 0.4,
                    "metalness": 0,
                    "diffuse": 16777215,
                    "diffuseInterior": false,
                    "useInteriorColor": true,
                    "interiorColor": 2236962,
                    "interiorDarkening": 0,
                    "matrix": {
                      "elements": [
                        1,
                        0,
                        0,
                        0,
                        0,
                        1,
                        0,
                        0,
                        0,
                        0,
                        1,
                        0,
                        0,
                        0,
                        0,
                        1
                      ]
                    },
                    "disablePicking": false,
                    "sele": ""
                  }
                },
                "1": {
                  "type": "base",
                  "params": {
                    "lazy": false,
                    "visible": true,
                    "quality": "high",
                    "sphereDetail": 2,
                    "radialSegments": 20,
                    "openEnded": true,
                    "disableImpostor": false,
                    "aspectRatio": 1,
                    "lineOnly": false,
                    "cylinderOnly": false,
                    "bondScale": 0.4,
                    "linewidth": 2,
                    "radiusType": "size",
                    "radiusData": {},
                    "radiusSize": 0.3,
                    "radiusScale": 1,
                    "assembly": "default",
                    "defaultAssembly": "BU1",
                    "clipNear": 0,
                    "clipRadius": 0,
                    "clipCenter": {
                      "x": 0,
                      "y": 0,
                      "z": 0
                    },
                    "flatShaded": false,
                    "opacity": 1,
                    "depthWrite": true,
                    "side": "double",
                    "wireframe": false,
                    "colorScheme": "residueindex",
                    "colorScale": "spectral",
                    "colorReverse": true,
                    "colorValue": 9474192,
                    "colorMode": "hcl",
                    "roughness": 0.4,
                    "metalness": 0,
                    "diffuse": 16777215,
                    "diffuseInterior": false,
                    "useInteriorColor": true,
                    "interiorColor": 2236962,
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  "cells": [
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      "metadata": {
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      "source": [
        "<a href=\"https://colab.research.google.com/github/francescopatane96/Computer_aided_drug_discovery_kit/blob/main/16_protein_ligand_interactions.ipynb\" target=\"_parent\"><img src=\"https://colab.research.google.com/assets/colab-badge.svg\" alt=\"Open In Colab\"/></a>"
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      "metadata": {
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      "source": [
        "pip install nglview redo"
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    {
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      "source": [
        "pip install git+https://github.com/volkamerlab/opencadd"
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      },
      "execution_count": 4,
      "outputs": [
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "Installing collected packages: mrcfile, mmtf-python, gsd, fasteners, biopython, GridDataFormats, mdanalysis\n",
            "Successfully installed GridDataFormats-1.0.1 biopython-1.81 fasteners-0.18 gsd-3.1.1 mdanalysis-2.5.0 mmtf-python-1.1.3 mrcfile-1.4.3\n"
          ]
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      "cell_type": "code",
      "source": [
        "#Install conda using the new conda-colab library\n",
        "!pip install -q condacolab\n",
        "import condacolab\n",
        "condacolab.install_miniconda()\n",
        "\n",
        "#Install MGLtools and OpenBabel from\n",
        "#the bioconda repository\n",
        "!conda install -c conda-forge -c bioconda mgltools openbabel zlib --yes."
      ],
      "metadata": {
        "id": "prc9OJOMMrGT"
      },
      "execution_count": null,
      "outputs": []
    },
    {
      "cell_type": "code",
      "source": [
        "!apt-get install plip"
      ],
      "metadata": {
        "colab": {
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        },
        "id": "h3v0zoBAPtY9",
        "outputId": "64506f02-5068-4e08-ae0e-77165a973b36"
      },
      "execution_count": 24,
      "outputs": [
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "/bin/bash: /usr/local/lib/libtinfo.so.6: no version information available (required by /bin/bash)\n",
            "Reading package lists... Done\n",
            "Building dependency tree... Done\n",
            "Reading state information... Done\n",
            "The following additional packages will be installed:\n",
            "  apbs apbs-data freeglut3 libapbs3 libevdev2 libglu1-mesa libgudev-1.0-0\n",
            "  libinput-bin libinput10 libmaloc1 libmd4c0 libmtdev1 libqt5core5a\n",
            "  libqt5dbus5 libqt5designer5 libqt5gui5 libqt5help5 libqt5network5\n",
            "  libqt5opengl5 libqt5printsupport5 libqt5sql5 libqt5sql5-sqlite libqt5svg5\n",
            "  libqt5test5 libqt5widgets5 libqt5xml5 libwacom-bin libwacom-common libwacom9\n",
            "  libxcb-icccm4 libxcb-image0 libxcb-keysyms1 libxcb-render-util0 libxcb-util1\n",
            "  libxcb-xinerama0 libxcb-xinput0 libxcb-xkb1 libxkbcommon-x11-0 pymol\n",
            "  pymol-data python3-bs4 python3-chardet python3-html5lib python3-lxml\n",
            "  python3-numpy python3-openbabel python3-opengl python3-pymol python3-pyqt5\n",
            "  python3-pyqt5.qtopengl python3-pyqt5.sip python3-soupsieve\n",
            "  python3-webencodings qt5-gtk-platformtheme qttranslations5-l10n\n",
            "Suggested packages:\n",
            "  qt5-image-formats-plugins qtwayland5 python3-genshi python-lxml-doc\n",
            "  python-numpy-doc python3-pytest libgle3\n",
            "The following NEW packages will be installed:\n",
            "  apbs apbs-data freeglut3 libapbs3 libevdev2 libglu1-mesa libgudev-1.0-0\n",
            "  libinput-bin libinput10 libmaloc1 libmd4c0 libmtdev1 libqt5core5a\n",
            "  libqt5dbus5 libqt5designer5 libqt5gui5 libqt5help5 libqt5network5\n",
            "  libqt5opengl5 libqt5printsupport5 libqt5sql5 libqt5sql5-sqlite libqt5svg5\n",
            "  libqt5test5 libqt5widgets5 libqt5xml5 libwacom-bin libwacom-common libwacom9\n",
            "  libxcb-icccm4 libxcb-image0 libxcb-keysyms1 libxcb-render-util0 libxcb-util1\n",
            "  libxcb-xinerama0 libxcb-xinput0 libxcb-xkb1 libxkbcommon-x11-0 plip pymol\n",
            "  pymol-data python3-bs4 python3-chardet python3-html5lib python3-lxml\n",
            "  python3-numpy python3-openbabel python3-opengl python3-pymol python3-pyqt5\n",
            "  python3-pyqt5.qtopengl python3-pyqt5.sip python3-soupsieve\n",
            "  python3-webencodings qt5-gtk-platformtheme qttranslations5-l10n\n",
            "0 upgraded, 56 newly installed, 0 to remove and 16 not upgraded.\n",
            "Need to get 261 MB of archives.\n",
            "After this operation, 1,346 MB of additional disk space will be used.\n",
            "Get:1 http://archive.ubuntu.com/ubuntu jammy-updates/universe amd64 libqt5core5a amd64 5.15.3+dfsg-2ubuntu0.2 [2,006 kB]\n",
            "Get:2 http://archive.ubuntu.com/ubuntu jammy/main amd64 libevdev2 amd64 1.12.1+dfsg-1 [39.5 kB]\n",
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            "Get:9 http://archive.ubuntu.com/ubuntu jammy/universe amd64 libmd4c0 amd64 0.4.8-1 [42.0 kB]\n",
            "Get:10 http://archive.ubuntu.com/ubuntu jammy-updates/universe amd64 libqt5dbus5 amd64 5.15.3+dfsg-2ubuntu0.2 [222 kB]\n",
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            "Get:15 http://archive.ubuntu.com/ubuntu jammy/main amd64 libxcb-keysyms1 amd64 0.4.0-1build3 [8,746 B]\n",
            "Get:16 http://archive.ubuntu.com/ubuntu jammy/main amd64 libxcb-render-util0 amd64 0.3.9-1build3 [10.3 kB]\n",
            "Get:17 http://archive.ubuntu.com/ubuntu jammy/main amd64 libxcb-xinerama0 amd64 1.14-3ubuntu3 [5,414 B]\n",
            "Get:18 http://archive.ubuntu.com/ubuntu jammy/main amd64 libxcb-xinput0 amd64 1.14-3ubuntu3 [34.3 kB]\n",
            "Get:19 http://archive.ubuntu.com/ubuntu jammy/main amd64 libxcb-xkb1 amd64 1.14-3ubuntu3 [32.8 kB]\n",
            "Get:20 http://archive.ubuntu.com/ubuntu jammy/main amd64 libxkbcommon-x11-0 amd64 1.4.0-1 [14.4 kB]\n",
            "Get:21 http://archive.ubuntu.com/ubuntu jammy-updates/universe amd64 libqt5gui5 amd64 5.15.3+dfsg-2ubuntu0.2 [3,722 kB]\n",
            "Get:22 http://archive.ubuntu.com/ubuntu jammy-updates/universe amd64 libqt5widgets5 amd64 5.15.3+dfsg-2ubuntu0.2 [2,561 kB]\n",
            "Get:23 http://archive.ubuntu.com/ubuntu jammy/universe amd64 libqt5svg5 amd64 5.15.3-1 [149 kB]\n",
            "Get:24 http://archive.ubuntu.com/ubuntu jammy/universe amd64 apbs-data all 3.0.0+dfsg1-3build2 [230 MB]\n",
            "Get:25 http://archive.ubuntu.com/ubuntu jammy/universe amd64 libmaloc1 amd64 1.5-1 [81.4 kB]\n",
            "Get:26 http://archive.ubuntu.com/ubuntu jammy/universe amd64 libapbs3 amd64 3.0.0+dfsg1-3build2 [263 kB]\n",
            "Get:27 http://archive.ubuntu.com/ubuntu jammy/universe amd64 apbs amd64 3.0.0+dfsg1-3build2 [83.8 kB]\n",
            "Get:28 http://archive.ubuntu.com/ubuntu jammy/universe amd64 freeglut3 amd64 2.8.1-6 [74.0 kB]\n",
            "Get:29 http://archive.ubuntu.com/ubuntu jammy-updates/universe amd64 libqt5xml5 amd64 5.15.3+dfsg-2ubuntu0.2 [124 kB]\n",
            "Get:30 http://archive.ubuntu.com/ubuntu jammy/universe amd64 libqt5designer5 amd64 5.15.3-1 [2,832 kB]\n",
            "Get:31 http://archive.ubuntu.com/ubuntu jammy-updates/universe amd64 libqt5sql5 amd64 5.15.3+dfsg-2ubuntu0.2 [123 kB]\n",
            "Get:32 http://archive.ubuntu.com/ubuntu jammy/universe amd64 libqt5help5 amd64 5.15.3-1 [162 kB]\n",
            "Get:33 http://archive.ubuntu.com/ubuntu jammy-updates/universe amd64 libqt5opengl5 amd64 5.15.3+dfsg-2ubuntu0.2 [153 kB]\n",
            "Get:34 http://archive.ubuntu.com/ubuntu jammy-updates/universe amd64 libqt5printsupport5 amd64 5.15.3+dfsg-2ubuntu0.2 [214 kB]\n",
            "Get:35 http://archive.ubuntu.com/ubuntu jammy-updates/universe amd64 libqt5sql5-sqlite amd64 5.15.3+dfsg-2ubuntu0.2 [53.0 kB]\n",
            "Get:36 http://archive.ubuntu.com/ubuntu jammy-updates/universe amd64 libqt5test5 amd64 5.15.3+dfsg-2ubuntu0.2 [152 kB]\n",
            "Get:37 http://archive.ubuntu.com/ubuntu jammy/main amd64 libwacom-bin amd64 2.2.0-1 [13.6 kB]\n",
            "Get:38 http://archive.ubuntu.com/ubuntu jammy/universe amd64 python3-openbabel amd64 3.1.1+dfsg-6ubuntu5 [613 kB]\n",
            "Get:39 http://archive.ubuntu.com/ubuntu jammy/main amd64 python3-lxml amd64 4.8.0-1build1 [1,150 kB]\n",
            "Get:40 http://archive.ubuntu.com/ubuntu jammy-updates/main amd64 python3-numpy amd64 1:1.21.5-1ubuntu22.04.1 [3,467 kB]\n",
            "Get:41 http://archive.ubuntu.com/ubuntu jammy/universe amd64 plip all 2.2.2+dfsg-1 [82.3 kB]\n",
            "Get:42 http://archive.ubuntu.com/ubuntu jammy/main amd64 libglu1-mesa amd64 9.0.2-1 [145 kB]\n",
            "Get:43 http://archive.ubuntu.com/ubuntu jammy/universe amd64 python3-opengl all 3.1.5+dfsg-1 [605 kB]\n",
            "Get:44 http://archive.ubuntu.com/ubuntu jammy/universe amd64 python3-pyqt5.sip amd64 12.9.1-1build1 [61.1 kB]\n",
            "Get:45 http://archive.ubuntu.com/ubuntu jammy/universe amd64 python3-pyqt5 amd64 5.15.6+dfsg-1ubuntu3 [2,822 kB]\n",
            "Get:46 http://archive.ubuntu.com/ubuntu jammy/universe amd64 python3-pyqt5.qtopengl amd64 5.15.6+dfsg-1ubuntu3 [134 kB]\n",
            "Get:47 http://archive.ubuntu.com/ubuntu jammy/universe amd64 pymol-data all 2.5.0+dfsg-1build1 [1,376 kB]\n",
            "Get:48 http://archive.ubuntu.com/ubuntu jammy/universe amd64 python3-pymol amd64 2.5.0+dfsg-1build1 [3,958 kB]\n",
            "Get:49 http://archive.ubuntu.com/ubuntu jammy/universe amd64 pymol all 2.5.0+dfsg-1build1 [127 kB]\n",
            "Get:50 http://archive.ubuntu.com/ubuntu jammy/main amd64 python3-soupsieve all 2.3.1-1 [33.0 kB]\n",
            "Get:51 http://archive.ubuntu.com/ubuntu jammy/main amd64 python3-bs4 all 4.10.0-2 [79.1 kB]\n",
            "Get:52 http://archive.ubuntu.com/ubuntu jammy/main amd64 python3-chardet all 4.0.0-1 [98.0 kB]\n",
            "Get:53 http://archive.ubuntu.com/ubuntu jammy/main amd64 python3-webencodings all 0.5.1-4 [11.8 kB]\n",
            "Get:54 http://archive.ubuntu.com/ubuntu jammy/main amd64 python3-html5lib all 1.1-3 [87.0 kB]\n",
            "Get:55 http://archive.ubuntu.com/ubuntu jammy-updates/universe amd64 qt5-gtk-platformtheme amd64 5.15.3+dfsg-2ubuntu0.2 [130 kB]\n",
            "Get:56 http://archive.ubuntu.com/ubuntu jammy/universe amd64 qttranslations5-l10n all 5.15.3-1 [1,983 kB]\n",
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            "/usr/bin/perl: /usr/local/lib/libcrypt.so.1: version `XCRYPT_2.0' not found (required by /usr/bin/perl)\n",
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            "Setting up freeglut3:amd64 (2.8.1-6) ...\n",
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            "/bin/bash: /usr/local/lib/libtinfo.so.6: no version information available (required by /bin/bash)\n",
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            "Setting up apbs-data (3.0.0+dfsg1-3build2) ...\n",
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            "Setting up apbs (3.0.0+dfsg1-3build2) ...\n",
            "Setting up libmd4c0:amd64 (0.4.8-1) ...\n",
            "Setting up libglu1-mesa:amd64 (9.0.2-1) ...\n",
            "Setting up libqt5test5:amd64 (5.15.3+dfsg-2ubuntu0.2) ...\n",
            "Setting up libevdev2:amd64 (1.12.1+dfsg-1) ...\n",
            "Setting up python3-soupsieve (2.3.1-1) ...\n",
            "/bin/bash: /usr/local/lib/libtinfo.so.6: no version information available (required by /bin/bash)\n",
            "Setting up libgudev-1.0-0:amd64 (1:237-2build1) ...\n",
            "Setting up libwacom-common (2.2.0-1) ...\n",
            "Setting up libwacom9:amd64 (2.2.0-1) ...\n",
            "Setting up python3-opengl (3.1.5+dfsg-1) ...\n",
            "/bin/bash: /usr/local/lib/libtinfo.so.6: no version information available (required by /bin/bash)\n",
            "Setting up libqt5network5:amd64 (5.15.3+dfsg-2ubuntu0.2) ...\n",
            "Setting up python3-bs4 (4.10.0-2) ...\n",
            "/bin/bash: /usr/local/lib/libtinfo.so.6: no version information available (required by /bin/bash)\n",
            "Setting up libinput-bin (1.20.0-1ubuntu0.3) ...\n",
            "Setting up libqt5sql5:amd64 (5.15.3+dfsg-2ubuntu0.2) ...\n",
            "Setting up libqt5xml5:amd64 (5.15.3+dfsg-2ubuntu0.2) ...\n",
            "Setting up plip (2.2.2+dfsg-1) ...\n",
            "/bin/bash: /usr/local/lib/libtinfo.so.6: no version information available (required by /bin/bash)\n",
            "Setting up libwacom-bin (2.2.0-1) ...\n",
            "Setting up libinput10:amd64 (1.20.0-1ubuntu0.3) ...\n",
            "Setting up libqt5sql5-sqlite:amd64 (5.15.3+dfsg-2ubuntu0.2) ...\n",
            "Setting up libqt5gui5:amd64 (5.15.3+dfsg-2ubuntu0.2) ...\n",
            "Setting up libqt5widgets5:amd64 (5.15.3+dfsg-2ubuntu0.2) ...\n",
            "Setting up libqt5help5:amd64 (5.15.3-1) ...\n",
            "Setting up qt5-gtk-platformtheme:amd64 (5.15.3+dfsg-2ubuntu0.2) ...\n",
            "Setting up libqt5printsupport5:amd64 (5.15.3+dfsg-2ubuntu0.2) ...\n",
            "Setting up libqt5opengl5:amd64 (5.15.3+dfsg-2ubuntu0.2) ...\n",
            "Setting up libqt5designer5:amd64 (5.15.3-1) ...\n",
            "Setting up libqt5svg5:amd64 (5.15.3-1) ...\n",
            "Setting up python3-pyqt5 (5.15.6+dfsg-1ubuntu3) ...\n",
            "/bin/bash: /usr/local/lib/libtinfo.so.6: no version information available (required by /bin/bash)\n",
            "Setting up python3-pyqt5.qtopengl (5.15.6+dfsg-1ubuntu3) ...\n",
            "Setting up python3-pymol (2.5.0+dfsg-1build1) ...\n",
            "/bin/bash: /usr/local/lib/libtinfo.so.6: no version information available (required by /bin/bash)\n",
            "Setting up pymol (2.5.0+dfsg-1build1) ...\n",
            "Processing triggers for man-db (2.10.2-1) ...\n",
            "perl: /usr/local/lib/libcrypt.so.1: version `XCRYPT_2.0' not found (required by perl)\n",
            "Processing triggers for libc-bin (2.35-0ubuntu3.1) ...\n",
            "/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_0.so.3 is not a symbolic link\n",
            "\n",
            "/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc.so.2 is not a symbolic link\n",
            "\n",
            "/sbin/ldconfig.real: /usr/local/lib/libtbbmalloc_proxy.so.2 is not a symbolic link\n",
            "\n",
            "/sbin/ldconfig.real: /usr/local/lib/libtbbbind.so.3 is not a symbolic link\n",
            "\n",
            "/sbin/ldconfig.real: /usr/local/lib/libtbbbind_2_5.so.3 is not a symbolic link\n",
            "\n",
            "/sbin/ldconfig.real: /usr/local/lib/libtbb.so.12 is not a symbolic link\n",
            "\n"
          ]
        }
      ]
    },
    {
      "cell_type": "code",
      "source": [
        "# Import libraries\n",
        "from pathlib import Path\n",
        "import time\n",
        "import warnings\n",
        "\n",
        "warnings.filterwarnings(\"ignore\")\n",
        "\n",
        "import pandas as pd\n",
        "import nglview as nv\n",
        "import openbabel\n",
        "import numpy as np\n",
        "import matplotlib.pyplot as plt\n",
        "from matplotlib import colors\n",
        "from plip.structure.preparation import PDBComplex\n",
        "from plip.exchange.report import BindingSiteReport\n",
        "\n",
        "from opencadd.structure.core import Structure"
      ],
      "metadata": {
        "id": "t3PWknz2A7TI"
      },
      "execution_count": 25,
      "outputs": []
    },
    {
      "cell_type": "code",
      "source": [
        "pdb_id = \"3poz\""
      ],
      "metadata": {
        "id": "UqB3HIlIJuPg"
      },
      "execution_count": 2,
      "outputs": []
    },
    {
      "cell_type": "code",
      "source": [
        "pdb_file = Structure.from_pdbid(pdb_id)\n",
        "# Download it to file for later use\n",
        "pdb_file.write(f\"{pdb_id}.pdb\")"
      ],
      "metadata": {
        "id": "G3Tvq1lSJwO6"
      },
      "execution_count": 3,
      "outputs": []
    },
    {
      "cell_type": "code",
      "source": [
        "from google.colab import output\n",
        "output.enable_custom_widget_manager()"
      ],
      "metadata": {
        "id": "SOqysqGYN9GZ"
      },
      "execution_count": 5,
      "outputs": []
    },
    {
      "cell_type": "code",
      "source": [
        "ngl_viewer = nv.show_pdbid(pdb_id)\n",
        "# add the ligands\n",
        "ngl_viewer.add_representation(repr_type=\"ball+stick\", selection=\"hetero and not water\")\n",
        "# center view on binding site\n",
        "ngl_viewer.center(\"ligand\")\n",
        "ngl_viewer"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/",
          "height": 317,
          "referenced_widgets": [
            "425327fdbb1e4ca8907f3fe901dd1b1f",
            "e59e46e9f2164974b12074b1ec5c72d9",
            "a8e782f5532b454c929659a16a228b6f",
            "0cff7fa9704148029e7191cfdf36f454",
            "9ed1187059724d9a9ab5b0727e9a43be",
            "a55d6a9de2d54d218d48c255293ec175",
            "1fe202d6060c4f3f8427e803165a3072",
            "607c41c48aeb473f8f8d56012fb48225",
            "8548a4ddb03c4a37a2e7b55440663747",
            "4fb757a2d3364a5d9080d3486d1ea339",
            "b9c980e2bf2841ffa4532d6acf0cc728",
            "e2119162d21449e184293ad3ae19acc7",
            "0f8f0d4f082249829e7be0851572f251"
          ]
        },
        "id": "Q35ovODLN5uG",
        "outputId": "8898b3d3-b113-4a15-db88-375510dd772d"
      },
      "execution_count": 6,
      "outputs": [
        {
          "output_type": "display_data",
          "data": {
            "text/plain": [
              "NGLWidget()"
            ],
            "application/vnd.jupyter.widget-view+json": {
              "version_major": 2,
              "version_minor": 0,
              "model_id": "a8e782f5532b454c929659a16a228b6f"
            }
          },
          "metadata": {
            "application/vnd.jupyter.widget-view+json": {
              "colab": {
                "custom_widget_manager": {
                  "url": "https://ssl.gstatic.com/colaboratory-static/widgets/colab-cdn-widget-manager/b3e629b1971e1542/manager.min.js"
                }
              }
            }
          }
        }
      ]
    },
    {
      "cell_type": "code",
      "source": [
        "from google.colab import output\n",
        "output.disable_custom_widget_manager()"
      ],
      "metadata": {
        "id": "6q0LLWUmN9Gb"
      },
      "execution_count": null,
      "outputs": []
    },
    {
      "cell_type": "code",
      "source": [
        "def retrieve_plip_interactions(pdb_file):\n",
        "    \"\"\"\n",
        "    Retrieves the interactions from PLIP.\n",
        "\n",
        "    Parameters\n",
        "    ----------\n",
        "    pdb_file :\n",
        "        The PDB file of the complex.\n",
        "\n",
        "    Returns\n",
        "    -------\n",
        "    dict :\n",
        "        A dictionary of the binding sites and the interactions.\n",
        "    \"\"\"\n",
        "    protlig = PDBComplex()\n",
        "    protlig.load_pdb(pdb_file)  # load the pdb file\n",
        "    for ligand in protlig.ligands:\n",
        "        protlig.characterize_complex(ligand)  # find ligands and analyze interactions\n",
        "    sites = {}\n",
        "    # loop over binding sites\n",
        "    for key, site in sorted(protlig.interaction_sets.items()):\n",
        "        binding_site = BindingSiteReport(site)  # collect data about interactions\n",
        "        # tuples of *_features and *_info will be converted to pandas DataFrame\n",
        "        keys = (\n",
        "            \"hydrophobic\",\n",
        "            \"hbond\",\n",
        "            \"waterbridge\",\n",
        "            \"saltbridge\",\n",
        "            \"pistacking\",\n",
        "            \"pication\",\n",
        "            \"halogen\",\n",
        "            \"metal\",\n",
        "        )\n",
        "        # interactions is a dictionary which contains relevant information for each\n",
        "        # of the possible interactions: hydrophobic, hbond, etc. in the considered\n",
        "        # binding site. Each interaction contains a list with\n",
        "        # 1. the features of that interaction, e.g. for hydrophobic:\n",
        "        # ('RESNR', 'RESTYPE', ..., 'LIGCOO', 'PROTCOO')\n",
        "        # 2. information for each of these features, e.g. for hydrophobic\n",
        "        # (residue nb, residue type,..., ligand atom 3D coord., protein atom 3D coord.)\n",
        "        interactions = {\n",
        "            k: [getattr(binding_site, k + \"_features\")] + getattr(binding_site, k + \"_info\")\n",
        "            for k in keys\n",
        "        }\n",
        "        sites[key] = interactions\n",
        "    return sites"
      ],
      "metadata": {
        "id": "5i1pdB69OIV4"
      },
      "execution_count": 7,
      "outputs": []
    },
    {
      "cell_type": "code",
      "source": [
        "interactions_by_site = retrieve_plip_interactions(f\"{pdb_id}.pdb\")"
      ],
      "metadata": {
        "id": "QUkaW3LXOK8w"
      },
      "execution_count": 26,
      "outputs": []
    },
    {
      "cell_type": "code",
      "source": [
        "print(\n",
        "    f\"Number of binding sites detected in {pdb_id} : \"\n",
        "    f\"{len(interactions_by_site)}\\n\"\n",
        "    f\"with {interactions_by_site.keys()}\"\n",
        ")\n",
        "# NBVAL_CHECK_OUTPUT"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/"
        },
        "id": "95Biq-aKQG1l",
        "outputId": "4aaf3ce5-72b6-495b-fa3c-3c717e9158f9"
      },
      "execution_count": 27,
      "outputs": [
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "Number of binding sites detected in 3poz : 4\n",
            "with dict_keys(['03P:X:1023', 'SO4:X:1', 'SO4:X:2', 'SO4:X:3'])\n"
          ]
        }
      ]
    },
    {
      "cell_type": "code",
      "source": [
        "index_of_selected_site = 0\n",
        "selected_site = list(interactions_by_site.keys())[index_of_selected_site]\n",
        "print(selected_site)"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/"
        },
        "id": "H1dbOnt2QJXB",
        "outputId": "e8dedd23-66ed-4dc2-ffe3-586a0f24f542"
      },
      "execution_count": 28,
      "outputs": [
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "03P:X:1023\n"
          ]
        }
      ]
    },
    {
      "cell_type": "code",
      "source": [
        "def create_df_from_binding_site(selected_site_interactions, interaction_type=\"hbond\"):\n",
        "    \"\"\"\n",
        "    Creates a data frame from a binding site and interaction type.\n",
        "\n",
        "    Parameters\n",
        "    ----------\n",
        "    selected_site_interactions : dict\n",
        "        Precaluclated interactions from PLIP for the selected site\n",
        "    interaction_type : str\n",
        "        The interaction type of interest (default set to hydrogen bond).\n",
        "\n",
        "    Returns\n",
        "    -------\n",
        "    pd.DataFrame :\n",
        "        DataFrame with information retrieved from PLIP.\n",
        "    \"\"\"\n",
        "\n",
        "    # check if interaction type is valid:\n",
        "    valid_types = [\n",
        "        \"hydrophobic\",\n",
        "        \"hbond\",\n",
        "        \"waterbridge\",\n",
        "        \"saltbridge\",\n",
        "        \"pistacking\",\n",
        "        \"pication\",\n",
        "        \"halogen\",\n",
        "        \"metal\",\n",
        "    ]\n",
        "\n",
        "    if interaction_type not in valid_types:\n",
        "        print(\"!!! Wrong interaction type specified. Hbond is chosen by default!!!\\n\")\n",
        "        interaction_type = \"hbond\"\n",
        "\n",
        "    df = pd.DataFrame.from_records(\n",
        "        # data is stored AFTER the column names\n",
        "        selected_site_interactions[interaction_type][1:],\n",
        "        # column names are always the first element\n",
        "        columns=selected_site_interactions[interaction_type][0],\n",
        "    )\n",
        "    return df"
      ],
      "metadata": {
        "id": "Z4hT4gkuQL4j"
      },
      "execution_count": 29,
      "outputs": []
    },
    {
      "cell_type": "code",
      "source": [
        "create_df_from_binding_site(interactions_by_site[selected_site], interaction_type=\"hydrophobic\")"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/",
          "height": 269
        },
        "id": "2djz5VlXQO3C",
        "outputId": "3fba5341-33c8-4393-9390-4190cd4427a6"
      },
      "execution_count": 30,
      "outputs": [
        {
          "output_type": "execute_result",
          "data": {
            "text/plain": [
              "   RESNR RESTYPE RESCHAIN  RESNR_LIG RESTYPE_LIG RESCHAIN_LIG  DIST  \\\n",
              "0    745     LYS        X       1023         03P            X  3.91   \n",
              "1    788     LEU        X       1023         03P            X  3.89   \n",
              "2    788     LEU        X       1023         03P            X  3.66   \n",
              "3    854     THR        X       1023         03P            X  3.82   \n",
              "4    858     LEU        X       1023         03P            X  3.93   \n",
              "5    745     LYS        X       1023         03P            X  3.53   \n",
              "6    790     THR        X       1023         03P            X  3.48   \n",
              "\n",
              "   LIGCARBONIDX  PROTCARBONIDX                    LIGCOO  \\\n",
              "0          2398            320   (18.317, 32.25, 10.052)   \n",
              "1          2396            593   (15.676, 34.766, 8.319)   \n",
              "2          2383            595   (18.404, 30.743, 6.486)   \n",
              "3          2382           1138  (18.135, 32.543, 11.422)   \n",
              "4          2383           1167   (18.404, 30.743, 6.486)   \n",
              "5          2396            318   (15.676, 34.766, 8.319)   \n",
              "6          2396            611   (15.676, 34.766, 8.319)   \n",
              "\n",
              "                    PROTCOO  \n",
              "0   (20.469, 34.989, 8.267)  \n",
              "1   (16.314, 35.031, 4.495)  \n",
              "2   (18.317, 33.573, 4.169)  \n",
              "3  (17.798, 28.992, 12.797)  \n",
              "4   (22.084, 30.736, 5.093)  \n",
              "5   (18.634, 36.648, 7.936)  \n",
              "6   (12.875, 33.449, 9.914)  "
            ],
            "text/html": [
              "\n",
              "\n",
              "  <div id=\"df-db77351c-c740-4bb6-903d-76ae82957528\">\n",
              "    <div class=\"colab-df-container\">\n",
              "      <div>\n",
              "<style scoped>\n",
              "    .dataframe tbody tr th:only-of-type {\n",
              "        vertical-align: middle;\n",
              "    }\n",
              "\n",
              "    .dataframe tbody tr th {\n",
              "        vertical-align: top;\n",
              "    }\n",
              "\n",
              "    .dataframe thead th {\n",
              "        text-align: right;\n",
              "    }\n",
              "</style>\n",
              "<table border=\"1\" class=\"dataframe\">\n",
              "  <thead>\n",
              "    <tr style=\"text-align: right;\">\n",
              "      <th></th>\n",
              "      <th>RESNR</th>\n",
              "      <th>RESTYPE</th>\n",
              "      <th>RESCHAIN</th>\n",
              "      <th>RESNR_LIG</th>\n",
              "      <th>RESTYPE_LIG</th>\n",
              "      <th>RESCHAIN_LIG</th>\n",
              "      <th>DIST</th>\n",
              "      <th>LIGCARBONIDX</th>\n",
              "      <th>PROTCARBONIDX</th>\n",
              "      <th>LIGCOO</th>\n",
              "      <th>PROTCOO</th>\n",
              "    </tr>\n",
              "  </thead>\n",
              "  <tbody>\n",
              "    <tr>\n",
              "      <th>0</th>\n",
              "      <td>745</td>\n",
              "      <td>LYS</td>\n",
              "      <td>X</td>\n",
              "      <td>1023</td>\n",
              "      <td>03P</td>\n",
              "      <td>X</td>\n",
              "      <td>3.91</td>\n",
              "      <td>2398</td>\n",
              "      <td>320</td>\n",
              "      <td>(18.317, 32.25, 10.052)</td>\n",
              "      <td>(20.469, 34.989, 8.267)</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>1</th>\n",
              "      <td>788</td>\n",
              "      <td>LEU</td>\n",
              "      <td>X</td>\n",
              "      <td>1023</td>\n",
              "      <td>03P</td>\n",
              "      <td>X</td>\n",
              "      <td>3.89</td>\n",
              "      <td>2396</td>\n",
              "      <td>593</td>\n",
              "      <td>(15.676, 34.766, 8.319)</td>\n",
              "      <td>(16.314, 35.031, 4.495)</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>2</th>\n",
              "      <td>788</td>\n",
              "      <td>LEU</td>\n",
              "      <td>X</td>\n",
              "      <td>1023</td>\n",
              "      <td>03P</td>\n",
              "      <td>X</td>\n",
              "      <td>3.66</td>\n",
              "      <td>2383</td>\n",
              "      <td>595</td>\n",
              "      <td>(18.404, 30.743, 6.486)</td>\n",
              "      <td>(18.317, 33.573, 4.169)</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>3</th>\n",
              "      <td>854</td>\n",
              "      <td>THR</td>\n",
              "      <td>X</td>\n",
              "      <td>1023</td>\n",
              "      <td>03P</td>\n",
              "      <td>X</td>\n",
              "      <td>3.82</td>\n",
              "      <td>2382</td>\n",
              "      <td>1138</td>\n",
              "      <td>(18.135, 32.543, 11.422)</td>\n",
              "      <td>(17.798, 28.992, 12.797)</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>4</th>\n",
              "      <td>858</td>\n",
              "      <td>LEU</td>\n",
              "      <td>X</td>\n",
              "      <td>1023</td>\n",
              "      <td>03P</td>\n",
              "      <td>X</td>\n",
              "      <td>3.93</td>\n",
              "      <td>2383</td>\n",
              "      <td>1167</td>\n",
              "      <td>(18.404, 30.743, 6.486)</td>\n",
              "      <td>(22.084, 30.736, 5.093)</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>5</th>\n",
              "      <td>745</td>\n",
              "      <td>LYS</td>\n",
              "      <td>X</td>\n",
              "      <td>1023</td>\n",
              "      <td>03P</td>\n",
              "      <td>X</td>\n",
              "      <td>3.53</td>\n",
              "      <td>2396</td>\n",
              "      <td>318</td>\n",
              "      <td>(15.676, 34.766, 8.319)</td>\n",
              "      <td>(18.634, 36.648, 7.936)</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>6</th>\n",
              "      <td>790</td>\n",
              "      <td>THR</td>\n",
              "      <td>X</td>\n",
              "      <td>1023</td>\n",
              "      <td>03P</td>\n",
              "      <td>X</td>\n",
              "      <td>3.48</td>\n",
              "      <td>2396</td>\n",
              "      <td>611</td>\n",
              "      <td>(15.676, 34.766, 8.319)</td>\n",
              "      <td>(12.875, 33.449, 9.914)</td>\n",
              "    </tr>\n",
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              "      <button class=\"colab-df-convert\" onclick=\"convertToInteractive('df-db77351c-c740-4bb6-903d-76ae82957528')\"\n",
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              "\n",
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              "        const containerElement = document.querySelector('#' + key);\n",
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              "\n",
              "      <script>\n",
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              "\n",
              "        async function convertToInteractive(key) {\n",
              "          const element = document.querySelector('#df-db77351c-c740-4bb6-903d-76ae82957528');\n",
              "          const dataTable =\n",
              "            await google.colab.kernel.invokeFunction('convertToInteractive',\n",
              "                                                     [key], {});\n",
              "          if (!dataTable) return;\n",
              "\n",
              "          const docLinkHtml = 'Like what you see? Visit the ' +\n",
              "            '<a target=\"_blank\" href=https://colab.research.google.com/notebooks/data_table.ipynb>data table notebook</a>'\n",
              "            + ' to learn more about interactive tables.';\n",
              "          element.innerHTML = '';\n",
              "          dataTable['output_type'] = 'display_data';\n",
              "          await google.colab.output.renderOutput(dataTable, element);\n",
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              "          element.appendChild(docLink);\n",
              "        }\n",
              "      </script>\n",
              "    </div>\n",
              "  </div>\n"
            ]
          },
          "metadata": {},
          "execution_count": 30
        }
      ]
    },
    {
      "cell_type": "code",
      "source": [
        "create_df_from_binding_site(interactions_by_site[selected_site], interaction_type=\"hbond\")"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/",
          "height": 180
        },
        "id": "7VyZSOJEQYtC",
        "outputId": "4f61cd71-9ece-4a5c-e5c1-f5833c7ab561"
      },
      "execution_count": 31,
      "outputs": [
        {
          "output_type": "execute_result",
          "data": {
            "text/plain": [
              "   RESNR RESTYPE RESCHAIN  RESNR_LIG RESTYPE_LIG RESCHAIN_LIG  SIDECHAIN  \\\n",
              "0    793     MET        X       1023         03P            X      False   \n",
              "\n",
              "  DIST_H-A DIST_D-A DON_ANGLE  PROTISDON  DONORIDX DONORTYPE  ACCEPTORIDX  \\\n",
              "0     2.01     2.96    163.57       True       629       Nam         2404   \n",
              "\n",
              "  ACCEPTORTYPE                    LIGCOO                   PROTCOO  \n",
              "0          Nar  (13.371, 34.064, 15.005)  (10.667, 33.654, 16.145)  "
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              "            await google.colab.kernel.invokeFunction('convertToInteractive',\n",
              "                                                     [key], {});\n",
              "          if (!dataTable) return;\n",
              "\n",
              "          const docLinkHtml = 'Like what you see? Visit the ' +\n",
              "            '<a target=\"_blank\" href=https://colab.research.google.com/notebooks/data_table.ipynb>data table notebook</a>'\n",
              "            + ' to learn more about interactive tables.';\n",
              "          element.innerHTML = '';\n",
              "          dataTable['output_type'] = 'display_data';\n",
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              "  </div>\n"
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          },
          "metadata": {},
          "execution_count": 31
        }
      ]
    },
    {
      "cell_type": "code",
      "source": [
        "create_df_from_binding_site(interactions_by_site[selected_site], interaction_type=\"halogen\")"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/",
          "height": 246
        },
        "id": "sdf_oWGtQbCI",
        "outputId": "6ef2f3be-14df-4e49-b8b9-8171c1d59ec2"
      },
      "execution_count": 32,
      "outputs": [
        {
          "output_type": "execute_result",
          "data": {
            "text/plain": [
              "   RESNR RESTYPE RESCHAIN  RESNR_LIG RESTYPE_LIG RESCHAIN_LIG  SIDECHAIN  \\\n",
              "0    766     MET        X       1023         03P            X      False   \n",
              "1    790     THR        X       1023         03P            X       True   \n",
              "\n",
              "   DIST DON_ANGLE ACC_ANGLE  DON_IDX DONORTYPE  ACC_IDX ACCEPTORTYPE  \\\n",
              "0  3.60    167.05    118.86     2389         F      431           O2   \n",
              "1  3.47    171.27    103.84     2388         F      610           O3   \n",
              "\n",
              "                    LIGCOO                  PROTCOO  \n",
              "0  (12.164, 26.835, 3.777)  (14.283, 28.118, 6.395)  \n",
              "1  (11.467, 31.629, 9.124)  (13.867, 29.356, 8.056)  "
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              "      <td>O2</td>\n",
              "      <td>(12.164, 26.835, 3.777)</td>\n",
              "      <td>(14.283, 28.118, 6.395)</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>1</th>\n",
              "      <td>790</td>\n",
              "      <td>THR</td>\n",
              "      <td>X</td>\n",
              "      <td>1023</td>\n",
              "      <td>03P</td>\n",
              "      <td>X</td>\n",
              "      <td>True</td>\n",
              "      <td>3.47</td>\n",
              "      <td>171.27</td>\n",
              "      <td>103.84</td>\n",
              "      <td>2388</td>\n",
              "      <td>F</td>\n",
              "      <td>610</td>\n",
              "      <td>O3</td>\n",
              "      <td>(11.467, 31.629, 9.124)</td>\n",
              "      <td>(13.867, 29.356, 8.056)</td>\n",
              "    </tr>\n",
              "  </tbody>\n",
              "</table>\n",
              "</div>\n",
              "      <button class=\"colab-df-convert\" onclick=\"convertToInteractive('df-156e812e-ab5f-4817-9a7e-de912d4cc202')\"\n",
              "              title=\"Convert this dataframe to an interactive table.\"\n",
              "              style=\"display:none;\">\n",
              "\n",
              "  <svg xmlns=\"http://www.w3.org/2000/svg\" height=\"24px\"viewBox=\"0 0 24 24\"\n",
              "       width=\"24px\">\n",
              "    <path d=\"M0 0h24v24H0V0z\" fill=\"none\"/>\n",
              "    <path d=\"M18.56 5.44l.94 2.06.94-2.06 2.06-.94-2.06-.94-.94-2.06-.94 2.06-2.06.94zm-11 1L8.5 8.5l.94-2.06 2.06-.94-2.06-.94L8.5 2.5l-.94 2.06-2.06.94zm10 10l.94 2.06.94-2.06 2.06-.94-2.06-.94-.94-2.06-.94 2.06-2.06.94z\"/><path d=\"M17.41 7.96l-1.37-1.37c-.4-.4-.92-.59-1.43-.59-.52 0-1.04.2-1.43.59L10.3 9.45l-7.72 7.72c-.78.78-.78 2.05 0 2.83L4 21.41c.39.39.9.59 1.41.59.51 0 1.02-.2 1.41-.59l7.78-7.78 2.81-2.81c.8-.78.8-2.07 0-2.86zM5.41 20L4 18.59l7.72-7.72 1.47 1.35L5.41 20z\"/>\n",
              "  </svg>\n",
              "      </button>\n",
              "\n",
              "\n",
              "\n",
              "    <div id=\"df-e1be8844-6d9f-4d35-9225-8233ce73b540\">\n",
              "      <button class=\"colab-df-quickchart\" onclick=\"quickchart('df-e1be8844-6d9f-4d35-9225-8233ce73b540')\"\n",
              "              title=\"Suggest charts.\"\n",
              "              style=\"display:none;\">\n",
              "\n",
              "<svg xmlns=\"http://www.w3.org/2000/svg\" height=\"24px\"viewBox=\"0 0 24 24\"\n",
              "     width=\"24px\">\n",
              "    <g>\n",
              "        <path d=\"M19 3H5c-1.1 0-2 .9-2 2v14c0 1.1.9 2 2 2h14c1.1 0 2-.9 2-2V5c0-1.1-.9-2-2-2zM9 17H7v-7h2v7zm4 0h-2V7h2v10zm4 0h-2v-4h2v4z\"/>\n",
              "    </g>\n",
              "</svg>\n",
              "      </button>\n",
              "    </div>\n",
              "\n",
              "<style>\n",
              "  .colab-df-quickchart {\n",
              "    background-color: #E8F0FE;\n",
              "    border: none;\n",
              "    border-radius: 50%;\n",
              "    cursor: pointer;\n",
              "    display: none;\n",
              "    fill: #1967D2;\n",
              "    height: 32px;\n",
              "    padding: 0 0 0 0;\n",
              "    width: 32px;\n",
              "  }\n",
              "\n",
              "  .colab-df-quickchart:hover {\n",
              "    background-color: #E2EBFA;\n",
              "    box-shadow: 0px 1px 2px rgba(60, 64, 67, 0.3), 0px 1px 3px 1px rgba(60, 64, 67, 0.15);\n",
              "    fill: #174EA6;\n",
              "  }\n",
              "\n",
              "  [theme=dark] .colab-df-quickchart {\n",
              "    background-color: #3B4455;\n",
              "    fill: #D2E3FC;\n",
              "  }\n",
              "\n",
              "  [theme=dark] .colab-df-quickchart:hover {\n",
              "    background-color: #434B5C;\n",
              "    box-shadow: 0px 1px 3px 1px rgba(0, 0, 0, 0.15);\n",
              "    filter: drop-shadow(0px 1px 2px rgba(0, 0, 0, 0.3));\n",
              "    fill: #FFFFFF;\n",
              "  }\n",
              "</style>\n",
              "\n",
              "    <script>\n",
              "      async function quickchart(key) {\n",
              "        const containerElement = document.querySelector('#' + key);\n",
              "        const charts = await google.colab.kernel.invokeFunction(\n",
              "            'suggestCharts', [key], {});\n",
              "      }\n",
              "    </script>\n",
              "\n",
              "      <script>\n",
              "\n",
              "function displayQuickchartButton(domScope) {\n",
              "  let quickchartButtonEl =\n",
              "    domScope.querySelector('#df-e1be8844-6d9f-4d35-9225-8233ce73b540 button.colab-df-quickchart');\n",
              "  quickchartButtonEl.style.display =\n",
              "    google.colab.kernel.accessAllowed ? 'block' : 'none';\n",
              "}\n",
              "\n",
              "        displayQuickchartButton(document);\n",
              "      </script>\n",
              "      <style>\n",
              "    .colab-df-container {\n",
              "      display:flex;\n",
              "      flex-wrap:wrap;\n",
              "      gap: 12px;\n",
              "    }\n",
              "\n",
              "    .colab-df-convert {\n",
              "      background-color: #E8F0FE;\n",
              "      border: none;\n",
              "      border-radius: 50%;\n",
              "      cursor: pointer;\n",
              "      display: none;\n",
              "      fill: #1967D2;\n",
              "      height: 32px;\n",
              "      padding: 0 0 0 0;\n",
              "      width: 32px;\n",
              "    }\n",
              "\n",
              "    .colab-df-convert:hover {\n",
              "      background-color: #E2EBFA;\n",
              "      box-shadow: 0px 1px 2px rgba(60, 64, 67, 0.3), 0px 1px 3px 1px rgba(60, 64, 67, 0.15);\n",
              "      fill: #174EA6;\n",
              "    }\n",
              "\n",
              "    [theme=dark] .colab-df-convert {\n",
              "      background-color: #3B4455;\n",
              "      fill: #D2E3FC;\n",
              "    }\n",
              "\n",
              "    [theme=dark] .colab-df-convert:hover {\n",
              "      background-color: #434B5C;\n",
              "      box-shadow: 0px 1px 3px 1px rgba(0, 0, 0, 0.15);\n",
              "      filter: drop-shadow(0px 1px 2px rgba(0, 0, 0, 0.3));\n",
              "      fill: #FFFFFF;\n",
              "    }\n",
              "  </style>\n",
              "\n",
              "      <script>\n",
              "        const buttonEl =\n",
              "          document.querySelector('#df-156e812e-ab5f-4817-9a7e-de912d4cc202 button.colab-df-convert');\n",
              "        buttonEl.style.display =\n",
              "          google.colab.kernel.accessAllowed ? 'block' : 'none';\n",
              "\n",
              "        async function convertToInteractive(key) {\n",
              "          const element = document.querySelector('#df-156e812e-ab5f-4817-9a7e-de912d4cc202');\n",
              "          const dataTable =\n",
              "            await google.colab.kernel.invokeFunction('convertToInteractive',\n",
              "                                                     [key], {});\n",
              "          if (!dataTable) return;\n",
              "\n",
              "          const docLinkHtml = 'Like what you see? Visit the ' +\n",
              "            '<a target=\"_blank\" href=https://colab.research.google.com/notebooks/data_table.ipynb>data table notebook</a>'\n",
              "            + ' to learn more about interactive tables.';\n",
              "          element.innerHTML = '';\n",
              "          dataTable['output_type'] = 'display_data';\n",
              "          await google.colab.output.renderOutput(dataTable, element);\n",
              "          const docLink = document.createElement('div');\n",
              "          docLink.innerHTML = docLinkHtml;\n",
              "          element.appendChild(docLink);\n",
              "        }\n",
              "      </script>\n",
              "    </div>\n",
              "  </div>\n"
            ]
          },
          "metadata": {},
          "execution_count": 32
        }
      ]
    },
    {
      "cell_type": "code",
      "source": [
        "color_map = {\n",
        "    \"hydrophobic\": [0.90, 0.10, 0.29],\n",
        "    \"hbond\": [0.26, 0.83, 0.96],\n",
        "    \"waterbridge\": [1.00, 0.88, 0.10],\n",
        "    \"saltbridge\": [0.67, 1.00, 0.76],\n",
        "    \"pistacking\": [0.75, 0.94, 0.27],\n",
        "    \"pication\": [0.27, 0.60, 0.56],\n",
        "    \"halogen\": [0.94, 0.20, 0.90],\n",
        "    \"metal\": [0.90, 0.75, 1.00],\n",
        "}"
      ],
      "metadata": {
        "id": "w7Z3QByRQdWK"
      },
      "execution_count": 33,
      "outputs": []
    },
    {
      "cell_type": "code",
      "source": [
        "fig, axs = plt.subplots(nrows=2, ncols=4, figsize=(15, 2))\n",
        "plt.subplots_adjust(hspace=1)\n",
        "fig.suptitle(\"Colors for interaction types\", size=16, y=1.2)\n",
        "\n",
        "for ax, (interaction, color) in zip(fig.axes, color_map.items()):\n",
        "    ax.imshow(np.zeros((1, 5)), cmap=colors.ListedColormap(color_map[interaction]))\n",
        "    ax.set_title(interaction, loc=\"center\")\n",
        "    ax.set_axis_off()\n",
        "plt.show()"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/",
          "height": 254
        },
        "id": "Bf-ohyPeQfWF",
        "outputId": "b175f70d-6b21-4419-f4d2-0252b4a699e3"
      },
      "execution_count": 34,
      "outputs": [
        {
          "output_type": "display_data",
          "data": {
            "text/plain": [
              "<Figure size 1500x200 with 8 Axes>"
            ],
            "image/png": 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UlBzr3Ep7zoSFhWnQoEEaNGiQJGnLli168skntWXLFo0bN04jRoy4rXavV6ZMGe3bt8/W1xulp6fbbiG63fMoKMqVKydJ6tSpk1544YU72vacOXMkXVsryLpW0vUOHDjgUGadQfTf//5X6enpLp/1VKZMGR06dEi//PKLatWq5bDd+jfg4+Njm+WW32rUqKGWLVtq5cqVWrp0qY4ePaq0tDQ9+OCDN00e3uxzefjwYUnX1nySrj1Jz9fXVxkZGXr77bdv+amMd+NzCgDA3xW32gEACpTw8HDbo9WHDRuW65oqx48ft62pU7ZsWdsX1RkzZjjUNcbYyps1a5ZrX6xrvpw+fVpLlixx2J6RkaHPP/88z+3lxT333KP+/ftLuvZo+zshJiZGkpSUlOR0u/Xx8ZUrVy7wiSfrQs6ZmZlOtz/44IOSpLlz597xmUfWv8XQ0FCHbcePH9eKFSscykuWLKm6desqOzvbdp1zk9s53oz1vXb29y/9/3sdGRnpdA2sO+lWzmPIkCGSri0obl1ofODAgTfdZ/ny5U5vyf3mm2906tQpBQQEKCIiQtK1hcxbtWol6f8TiH+GKz6nAAD8XZF4AgAUOBMnTlSlSpWUkpKipk2bat26dQ51rly5ok8++UT169fX3r17beXWWS4jR47Ujh07bOXGGI0aNUrbt29XcHCwnnnmmVz74ePjY7vVZ9iwYUpNTbVtu3r1qoYMGaI//vhDFSpUyHER8ZwsXLhQ3333ncMaMVevXtW3334ryXmC43Y888wzCgwM1NatWzV69Gi7hMy2bds0atQoSdKLL754R47nStYZLNaFvG/UqVMn3XPPPdq8ebN69erldB2nM2fOaOrUqbec2LEusD19+nRduXLFVp6enq7Y2Filp6c73c/6VLvhw4dr/vz5Dtv37Nlj9zccEhIiLy8v/fHHH7e8mPWQIUPk4eGhRYsWafbs2Xbbli9frmnTpknSHZ8N5oz1vTpw4ICuXr1607pt27ZVpUqV9O2332rHjh0KDw+3JRFzkpGRoWeffVYZGRm2sqNHj2rYsGGSpH79+snHx8e2LT4+Xl5eXnrxxReVlJTkdH2mXbt2acGCBbbXd/NzCgDA3xW32gEACpzChQtr/fr1euSRR7R69WpFRkaqQoUKqlOnjgoVKqRjx45p8+bNOn/+vAIDA1W6dGnbvn379tWGDRs0a9YsNWzYUNHR0SpevLi2bt2qn3/+Wb6+vvrss89si5jnZsSIEfrhhx/0v//7v6pevbqaNWumgIAAbdy4Ub/++quKFi2quXPn3vIj1desWaP33ntPxYoVU/369VW8eHGdO3dO33//vY4fP64yZcropZdeuqU2c1KiRAl9+umnevjhhzV8+HDNmjVL9evX1/Hjx7VmzRplZmaqV69eeUrG5bfOnTtrxIgRev/997Vr1y6VK1dObm5u6tixozp27Cg3NzctWrRI7dq1U1JSkubNm6e6deuqfPnyunLlin755Rft3LlTWVlZiouLu6VZP0OHDtXMmTP1zTffqGLFimrcuLGuXr2qNWvWqFChQnrqqaeczmrq0qWL3njjDb322mvq1q2bqlWrprp16yojI0MHDx7Unj17lJiYaEtseXp6qmPHjpo3b57q1aunpk2b2hbY/uijj27ax9q1a2vSpEl69tln1aNHD40fP17VqlVTamqqNmzYIGOMEhIS1Lp161u46renfPnyatiwoX744QfVrl1bDRs2lI+Pj4oVK6Y333zTrq6bm5sGDhyooUOHSpL69+/v9Ol61+vZs6e++uorVaxYUZGRkbp06ZJWrVqlCxcu6L777nO4/a1BgwaaPXu27SmEr732mmrUqKGQkBCdPn1aO3fu1O+//65HHnlEDz30kKS7+zkFAOBvywAAUIAtXbrU9OzZ01SqVMn4+/sbT09PU7JkSdOqVSszYcIEc+rUKaf7ffbZZyYmJsYEBwcbT09PU65cORMXF2f27dvntH50dLSRZJKTkx22Xb161UyePNk0btzYBAQEGC8vLxMeHm4GDRpkfv/9d6ftSTI3+7/Zbdu2mVdeecU0bdrUlClTxnh5eZmQkBATERFhRo8ebU6ePJn7xblObGyskWQSExNzrLNnzx4TGxtrypYtazw9PU1wcLBp1qyZ+fzzz53Wj4+PN5JMfHz8LfXlejldh9DQUCPJpKSkON3vZuezcOFC06RJExMQEGAsFovTPl66dMlMnTrVNGvWzBQtWtR4eHiY4sWLm3r16pkBAwaYZcuW2dVPTEw0kkxsbOxNzyclJcU88cQTpnz58sbb29uEhoaafv36mT/++CPX67Vx40bz2GOPmTJlyhhPT09TpEgRU7duXfPSSy+Z1NRUu7qnTp0yffv2NeXLlzeenp4O1zG3/n7//femW7dupmTJksbDw8MULVrUtGvXzixfvtxp/dz+fvJ6fW6UmppqHn/8cVOqVCnj4eFhJJnQ0FCndffu3WskmUKFCpkzZ87k2Ob11/mXX34xjz32mClRooTx8vIylSpVMq+//rq5cOFCjvunpKSY5557ztSqVcv4+fkZHx8fExoaamJiYsybb75pDh48aKt7pz+nAAD8E1mM+Qs/egUAAAB/C6+99ppt4XbrLYHOJCQkaMSIEYqPj1dCQsLd6yAAALgtrPEEAACAfPXf//5XkyZNkpubm+12OwAA8PfAGk8AAADIF6+88oqOHDmilStXKi0tTf369bOtdQUAAP4eSDwBAAAgX3z++ef69ddfVbJkSQ0dOtRh0XEAAPDXxxpPAAAAAAAAcAnWeAIAAAAAAIBLkHgCAAAAAACAS5B4AgAAAAAAgEuQeAIAAAAAAIBLkHgCAAAAAACAS5B4AgAAAAAAgEuQeAIAAAAAAIBLkHgCAAAAAACAS5B4AgAAAAAAgEuQeAIAAAAAAIBLkHgCAAAAAACAS5B4AgAAAAAAgEuQeAIAAAAAAIBLkHgCAAAAAACAS5B4AgAAAAAAgEuQeAIAAAAAAIBLkHgCAAAAAACAS5B4AgAAAAAAgEuQeAIAAAAAAIBLkHgCAAAAAACAS5B4AgAAAAAAgEuQeHKRhIQEWSwWnTx50mXHOHz4sCwWi2bMmOGyY9yMK84xLCxM7du3z7Xe6tWrZbFYtHr16jt2bAB3T17jh8Vi0cCBA+9Sr/ImLCxMcXFx+d0NAH8j1jHd22+//afaiYuLU1hYWJ6Pl19jSAD5xzoGu5W6f/b7nsViUUJCwh3tG/5aSDwBAAAAufjss880YcKE/O4GANxxo0eP1qJFi/K7G/gb88jvDgC3IyoqShkZGfLy8srvrgAAgH+Azz77TLt27dLQoUPzuys5+vDDD5WdnZ3f3QDwFzN69Gh169ZNnTt3dkn7GRkZ8vAg9fBPxoynf4ALFy7kdxfuODc3N/n4+MjNjT9hAADw15Sdna1Lly796XasYz1PT095e3v/6fYA4M+6Pr75+PiQePqH41u7i6WlpSkuLk7BwcEKCgpSr169dPHiRUlSdHS06tat63S/qlWrqk2bNg7tBAUFKTg4WLGxsUpLS3PYLy4uTv7+/jp06JDatm2rgIAAPfHEE5KuDUqGDRumcuXKydvbW1WrVtXbb78tY4xdG9Y1VT799FNVrVpVPj4+ioiI0HfffXfL52iVmZmpkSNHKjw8XN7e3goLC9Orr76qy5cvO21z+fLlqlevnnx8fFSjRg0tWLDAbntOazxt2rRJbdu2VeHCheXn56c6derovffec3oMAPkvL/FDUp7i0bZt2/Tggw8qMDBQ/v7+atGihb7//nu7OjNmzJDFYtH69ev1/PPPKyQkRH5+furSpYtOnDhhV9cYo1GjRqls2bIqVKiQmjVrpt27d9/ZCwDgjvnpp59ksVi0ZMkSW9mPP/4oi8WiBg0a2NV98MEHde+990qSFi9erHbt2ql06dLy9vZWeHi4Ro4cqaysLFv9mJgYff3110pNTZXFYpHFYrFbS+ny5cuKj49XpUqV5O3trXLlyumll15yGOdcP8aqWbOmvL299e2339rVGT9+vEJDQ+Xr66vo6Gjt2rXLbvvNxnrO1njK6xhSkubOnasaNWrIx8dHtWrV0sKFC522mZ2drQkTJqhmzZry8fFRiRIl1LdvX505c8ZpuwD+vHPnzmno0KEKCwuTt7e3ihcvrlatWmnr1q2SpLVr1+rhhx9W+fLlbXHoueeeU0ZGxk3btVgsunDhgpKSkmzx7ca1LE+ePKnu3bsrMDBQRYsW1ZAhQxyS5jeLb87WeFq3bp3uuece+fj4KDw8XNOmTXPav4yMDA0ePFjFihVTQECAOnbsqCNHjjht88iRI3rqqadUokQJeXt7q2bNmvrkk09yubK4G0g7ulj37t1VoUIFjRkzRlu3btVHH32k4sWLa+zYserRo4eeeeYZ7dq1S7Vq1bLts2XLFu3fv1+vvfaapGtffjp16qR169apX79+ql69uhYuXKjY2Finx8zMzFSbNm3UtGlTvf322ypUqJCMMerYsaOSk5PVu3dv1atXT8uWLdOLL76oI0eOaPz48XZtrFmzRl988YUGDx4sb29vTZ48WQ888IA2b95s19fcztHq6aefVlJSkrp166Zhw4Zp06ZNGjNmjPbu3auFCxfatXfgwAE98sgj6tevn2JjY5WYmKiHH35Y3377rVq1apXjtV6xYoXat2+vUqVKaciQISpZsqT27t2rr776SkOGDMnbGwbgrspL/MhLPNq9e7ciIyMVGBiol156SZ6enpo2bZpiYmK0Zs0a2xdMq0GDBqlw4cKKj4/X4cOHNWHCBA0cOFBffPGFrc7rr7+uUaNGqW3btmrbtq22bt2q1q1b68qVK3fn4gC4JbVq1VJwcLC+++47dezYUdK1L2Jubm7asWOHzp49q8DAQGVnZ2vDhg3q06ePpGsJaX9/fz3//PPy9/fXqlWr9Prrr+vs2bN66623JEnDhw9Xenq6fv/9d9uYyd/fX9K1JEzHjh21bt069enTR9WrV9fOnTs1fvx47d+/32HdlFWrVmnOnDkaOHCgihUrZpfUmTlzps6dO6cBAwbo0qVLeu+999S8eXPt3LlTJUqUsNVzNtZz5lbGkF9//bUeeeQR1a5dW2PGjNGZM2fUu3dvlSlTxqFu3759NWPGDPXq1UuDBw9WSkqKPvjgA23btk3r16+Xp6dnHt81AHnVr18/zZs3TwMHDlSNGjV06tQprVu3Tnv37lWDBg00d+5cXbx4Uc8++6yKFi2qzZs3a+LEifr99981d+7cHNudNWuWnn76aTVq1MgWF8PDw+3qdO/eXWFhYRozZoy+//57vf/++zpz5oxmzpxpV+9m8e16O3fuVOvWrRUSEqKEhARlZmYqPj7eLs5ZxcXFac6cOerRo4caN26sNWvWqF27dg71jh07psaNG9sSYCEhIVq6dKl69+6ts2fPFujbpP8RDFwiPj7eSDJPPfWUXXmXLl1M0aJFjTHGpKWlGR8fH/Pyyy/b1Rk8eLDx8/Mz58+fN8YYs2jRIiPJjBs3zlYnMzPTREZGGkkmMTHRVh4bG2skmVdeecWuTWsbo0aNsivv1q2bsVgs5uDBg7YySUaS+eGHH2xlqampxsfHx3Tp0uWWztEYY7Zv324kmaefftqu3gsvvGAkmVWrVtnKQkNDjSQzf/58W1l6eropVaqUqV+/vq0sOTnZSDLJycm261GhQgUTGhpqzpw5Y3ec7OxsA6BgyWv8yGs86ty5s/Hy8jKHDh2ylR09etQEBASYqKgoW1liYqKRZFq2bGkXG5577jnj7u5u0tLSjDHGHD9+3Hh5eZl27drZ1Xv11VeNJBMbG/vnLwKAO65du3amUaNGttcPPfSQeeihh4y7u7tZunSpMcaYrVu3Gklm8eLFxhhjLl686NBO3759TaFChcylS5fs2g4NDXWoO2vWLOPm5mbWrl1rVz516lQjyaxfv95WJsm4ubmZ3bt329VNSUkxkoyvr6/5/fffbeWbNm0yksxzzz1nK8tprGfddn0fb2UMWbt2bVO2bFlz7tw5W9nq1auNJLs2165daySZTz/91O7Y3377rdNyAHdGUFCQGTBgQI7bncWyMWPGGIvFYlJTU21l1jHY9fz8/JyObax1O3bsaFfev39/I8ns2LHDVpZTfLNui4+Pt73u3Lmz8fHxsevXnj17jLu7u13ffvzxRyPJDB061K69uLg4hzZ79+5tSpUqZU6ePGlX99FHHzVBQUFOrw/uHm61c7F+/frZvY6MjNSpU6d09uxZBQUFqVOnTvrPf/5ju90tKytLX3zxhTp37iw/Pz9J0jfffCMPDw89++yztnbc3d01aNCgHI97fV1rG+7u7ho8eLBd+bBhw2SM0dKlS+3K77vvPkVERNhely9fXp06ddKyZcvspp7ndo7WY0vS888/73Bs6dovbNcrXbq0unTpYnsdGBionj17atu2bfrjjz+cnu+2bduUkpKioUOHKjg42G4bj+QECq7c4oeUezzKysrS8uXL1blzZ1WsWNFWr1SpUnr88ce1bt06u/YkqU+fPnaxITIyUllZWUpNTZUkrVy5UleuXNGgQYPs6vFrGVCwRUZGauvWrbY1j9atW6e2bduqXr16Wrt2raRrs6AsFouaNm0qSfL19bXtf+7cOZ08eVKRkZG6ePGi9u3bl+sx586dq+rVq6tatWo6efKk7V/z5s0lScnJyXb1o6OjVaNGDadtde7c2W6GUaNGjXTvvffaxlLXu3Gs50xex5BHjx7Vzp071bNnT9tMLmtfa9eu7XC+QUFBatWqld35RkREyN/f3+F8AdwZwcHB2rRpk44ePep0+/Wx7MKFCzp58qTuv/9+GWO0bdu2P3XsAQMG2L22xpAbY9PN4ptVVlaWli1bps6dO6t8+fK28urVq9stNSPJdqte//79nR7fyhij+fPnq0OHDjLG2MWmNm3aKD093XZLIvIHiScXu/7DJEmFCxeWJNs98D179tSvv/5qGwytXLlSx44dU48ePWz7pKamqlSpUnYDAenaOlDOeHh4qGzZsnZlqampKl26tAICAuzKq1evbtt+vcqVKzu0W6VKFV28eNFhHZTczjE1NVVubm6qVKmSXb2SJUsqODjY4diVKlVySBZVqVJFknT48GGHfknSoUOHJMnhNkAABVtu8UPKPR6dOHFCFy9edBoTq1evruzsbP3222+3dFxrXLrx2CEhIba6AAqeyMhIZWZmauPGjfr55591/PhxRUZGKioqyi7xVKNGDRUpUkTStVt1u3TpoqCgIAUGBiokJERPPvmkJCk9PT3XYx44cEC7d+9WSEiI3T/r2OX48eN29StUqJBjWznFuxvHP87Ges7kdQxpjXk3jtWclR04cEDp6ekqXry4wzmfP3/e4XwB3Bnjxo3Trl27VK5cOTVq1EgJCQn65ZdfbNt//fVXxcXFqUiRIvL391dISIiio6Ml5S2W3cyNsSk8PFxubm4Oselm8c3qxIkTysjIcBrvnMUmNzc3h3ZvjEsnTpxQWlqapk+f7hCXevXqJckxFuPuYo0nF3N3d3dabp3h1KZNG5UoUUKzZ89WVFSUZs+erZIlS6ply5a3fUxvb++7+rS33M7RiplHAG6U1/jxdzkuANdq2LChfHx89N1336l8+fIqXry4qlSposjISE2ePFmXL1/W2rVrbTOr09LSFB0drcDAQP373/9WeHi4fHx8tHXrVr388svKzs7O9ZjZ2dmqXbu23n33Xafby5UrZ/f6+lkJt+tuj/Wul52dreLFi+vTTz91uj0kJOQu9wj4Z+jevbsiIyO1cOFCLV++XG+99ZbGjh2rBQsWqHXr1mrVqpVOnz6tl19+WdWqVZOfn5+OHDmiuLi4PMWyW5HT97o7Ed9uh/X8nnzyyRzXQa5Tp87d7BJuQOIpn7m7u+vxxx/XjBkzNHbsWC1atEjPPPOM3Zei0NBQ/e///q/Onz9v94vVzz//nOfjhIaGauXKlTp37pzdrCfrFPLQ0FC7+gcOHHBoY//+/SpUqNAtDyhCQ0OVnZ2tAwcO2GZYSdcWgEtLS3M49sGDB2WMsQto+/fvl6QcF6izLoC3a9euP5W0A1Dw5CUeFSpUyGlM3Ldvn9zc3By++OXGGpcOHDhgd/veiRMneGoTUIB5eXmpUaNGWrt2rcqXL6/IyEhJ12ZCXb58WZ9++qmOHTumqKgoSdeeknvq1CktWLDAViZJKSkpDm3n9EUrPDxcO3bsUIsWLf70j2w5xbucxj+5yesY0hrzDh486NDGjWXh4eFauXKlmjRpkm9fMoF/qlKlSql///7q37+/jh8/rgYNGuiNN95QqVKltH//fiUlJalnz562+itWrMhTu7nFrgMHDtjNOjp48KCys7NvKzaFhITI19fXabxzFpuys7OVkpJiN0PqxrgUEhKigIAAZWVl8V2wgOJWuwKgR48eOnPmjPr27avz58/bpndbtW3bVpmZmZoyZYqtLCsrSxMnTszzMdq2bausrCx98MEHduXjx4+XxWLRgw8+aFe+ceNGu/tgf/vtNy1evFitW7fOcabAzY4tSRMmTLArt/4yeONTCY4ePWr3pLuzZ89q5syZqlevnkqWLOn0GA0aNFCFChU0YcIEh0cEM4MB+GvLLR65u7urdevWWrx4sd2U72PHjumzzz5T06ZNFRgYeEvHbNmypTw9PTVx4kS7GHJjHANQ8ERGRmrTpk1KTk62JZ6KFSum6tWr256YaS23jmmu/5xfuXJFkydPdmjXz8/P6e0q3bt315EjR/Thhx86bMvIyLCtN5UXixYt0pEjR2yvN2/erE2bNjmM0/Iqr2PI0qVLq1atWpo5c6bOnz9vK1+zZo127txpV7d79+7KysrSyJEjHY6XmZnpMA4D8OdlZWU5xJ/ixYurdOnSunz5stNYZozRe++9l6f2/fz8bvrZnTRpkt1rawy5ndjk7u6uNm3aaNGiRfr1119t5Xv37tWyZcvs6lrXfLoxJt8Yw9zd3dW1a1fNnz9fu3btcjjmjUvF4O5jxlMBUL9+fdWqVcu2OGWDBg3stnfo0EFNmjTRK6+8osOHD6tGjRpasGDBLd2r26FDBzVr1kzDhw/X4cOHVbduXS1fvlyLFy/W0KFDHR6ZWatWLbVp08bu8eWSNGLEiFs+v7p16yo2NlbTp0+3TWnfvHmzkpKS1LlzZzVr1syufpUqVdS7d29t2bJFJUqU0CeffKJjx44pMTExx2O4ublpypQp6tChg+rVq6devXqpVKlS2rdvn3bv3u0QxAD8deQlHo0aNUorVqxQ06ZN1b9/f3l4eGjatGm6fPmyxo0bd8vHDAkJ0QsvvKAxY8aoffv2atu2rbZt26alS5eqWLFid+zcANx5kZGReuONN/Tbb7/ZEkySFBUVpWnTpiksLMy2PtL999+vwoULKzY2VoMHD5bFYtGsWbOc/mgVERGhL774Qs8//7zuuece+fv7q0OHDurRo4fmzJmjfv36KTk5WU2aNFFWVpb27dunOXPmaNmyZWrYsGGe+l6pUiU1bdpUzz77rC5fvqwJEyaoaNGieumll27rWtzKGHL06NHq1KmTmjRpol69eunMmTP64IMPVKtWLbtkVHR0tPr27asxY8Zo+/btat26tTw9PXXgwAHNnTtX7733nrp163Zb/QXg3Llz51S2bFl169ZNdevWlb+/v1auXKktW7bonXfeUbVq1RQeHq4XXnhBR44cUWBgoObPn5/nWdoRERFauXKl3n33XZUuXVoVKlTQvffea9uekpKijh076oEHHtDGjRs1e/ZsPf7446pbt+5tnc+IESP07bffKjIyUv3791dmZqYmTpyomjVr6qeffrLrV9euXTVhwgSdOnVKjRs31po1a2x3w1w/U+vNN99UcnKy7r33Xj3zzDOqUaOGTp8+ra1bt2rlypU6ffr0bfUVd8jdf5DeP4P10ZMnTpywK7c+yjslJcWufNy4cUa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          },
          "metadata": {}
        }
      ]
    },
    {
      "cell_type": "code",
      "source": [
        "def show_interactions_3d(\n",
        "    pdb_id, selected_site_interactions, highlight_interaction_colors=color_map\n",
        "):\n",
        "    \"\"\"\n",
        "    3D visualization of protein-ligand interactions.\n",
        "\n",
        "    Parameters\n",
        "    ----------\n",
        "    pdb_id : str\n",
        "        The pdb ID of interest.\n",
        "    selected_site_interactions : dict\n",
        "        Precaluclated interactions from PLIP for the selected site\n",
        "    highlight_interaction_colors : dict\n",
        "        The colors used to highlight the different interaction types.\n",
        "\n",
        "    Returns\n",
        "    -------\n",
        "    NGL viewer with explicit interactions given by PLIP.\n",
        "    \"\"\"\n",
        "\n",
        "    # Create NGLviewer\n",
        "    viewer = nv.NGLWidget(height=\"600px\", default=True, gui=True)\n",
        "    # Add protein\n",
        "    prot_component = viewer.add_pdbid(pdb_id)\n",
        "    # Add the ligands\n",
        "    viewer.add_representation(repr_type=\"ball+stick\", selection=\"hetero and not water\")\n",
        "\n",
        "    interacting_residues = []\n",
        "    for interaction_type, interaction_list in selected_site_interactions.items():\n",
        "        color = highlight_interaction_colors[interaction_type]\n",
        "        if len(interaction_list) == 1:\n",
        "            continue\n",
        "        df_interactions = pd.DataFrame.from_records(\n",
        "            interaction_list[1:], columns=interaction_list[0]\n",
        "        )\n",
        "        for _, interaction in df_interactions.iterrows():\n",
        "            name = interaction_type\n",
        "            # add cylinder between ligand and protein coordinate\n",
        "            viewer.shape.add_cylinder(\n",
        "                interaction[\"LIGCOO\"],\n",
        "                interaction[\"PROTCOO\"],\n",
        "                color,\n",
        "                [0.1],\n",
        "                name,\n",
        "            )\n",
        "            interacting_residues.append(interaction[\"RESNR\"])\n",
        "    # Display interacting residues\n",
        "    res_sele = \" or \".join([f\"({r} and not _H)\" for r in interacting_residues])\n",
        "    res_sele_nc = \" or \".join([f\"({r} and ((_O) or (_N) or (_S)))\" for r in interacting_residues])\n",
        "    prot_component.add_ball_and_stick(sele=res_sele, colorScheme=\"chainindex\", aspectRatio=1.5)\n",
        "    prot_component.add_ball_and_stick(sele=res_sele_nc, colorScheme=\"element\", aspectRatio=1.5)\n",
        "    # Center on ligand\n",
        "    viewer.center(\"ligand\")\n",
        "    return viewer"
      ],
      "metadata": {
        "id": "JWN3G_xaQh0i"
      },
      "execution_count": 35,
      "outputs": []
    },
    {
      "cell_type": "code",
      "source": [
        "viewer_3d = show_interactions_3d(pdb_id, interactions_by_site[selected_site])\n",
        "viewer_3d"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/",
          "height": 617,
          "referenced_widgets": [
            "009b581b4fd344f091b07e360a97231a",
            "fd45abe986234541b0f99aa800f8b66b",
            "9d6c96023d4e4aaa8998d0857144235d",
            "d609e68d5dcd49fd9939162be5e347d7",
            "40be59db38544bb3982393a401aa2d3c",
            "7ba22243b9954849b97bb5a4d9ef79bb",
            "ca2eb4b4e33344799c64b6e75b8d5ee6",
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        },
        "id": "euEFO7hLQkEU",
        "outputId": "32ebd856-775e-4f34-9de7-d1f51c1ffe20"
      },
      "execution_count": 36,
      "outputs": [
        {
          "output_type": "display_data",
          "data": {
            "text/plain": [
              "NGLWidget()"
            ],
            "application/vnd.jupyter.widget-view+json": {
              "version_major": 2,
              "version_minor": 0,
              "model_id": "009b581b4fd344f091b07e360a97231a"
            }
          },
          "metadata": {
            "application/vnd.jupyter.widget-view+json": {
              "colab": {
                "custom_widget_manager": {
                  "url": "https://ssl.gstatic.com/colaboratory-static/widgets/colab-cdn-widget-manager/b3e629b1971e1542/manager.min.js"
                }
              }
            }
          }
        },
        {
          "output_type": "display_data",
          "data": {
            "text/plain": [
              "Tab(children=(Box(children=(Box(children=(Box(children=(Label(value='step'), IntSlider(value=1, min=-100)), la…"
            ],
            "application/vnd.jupyter.widget-view+json": {
              "version_major": 2,
              "version_minor": 0,
              "model_id": "8df7f8d02e9040df972582d41ba2a3da"
            }
          },
          "metadata": {
            "application/vnd.jupyter.widget-view+json": {
              "colab": {
                "custom_widget_manager": {
                  "url": "https://ssl.gstatic.com/colaboratory-static/widgets/colab-cdn-widget-manager/b3e629b1971e1542/manager.min.js"
                }
              }
            }
          }
        }
      ]
    }
  ]
}