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*** IDA_27- ***elNémo ID: 220124144316107524Job options:ID = 220124144316107524 JOBID = IDA_27- USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER IDA_27- HEADER 01-JUL-21 TITLE ALPHAFOLD MONOMER V2.0 PREDICTION FOR PROTEIN IDA (Q8LAD7) COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN IDA; COMPND 3 CHAIN: A SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; SOURCE 3 ORGANISM_TAXID: 3702 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH JOHN JUMPER, RICHARD EVANS, ALEXANDER PRITZEL, TIM GREEN, REMARK 1 AUTH 2 MICHAEL FIGURNOV, OLAF RONNEBERGER, KATHRYN TUNYASUVUNAKOOL, REMARK 1 AUTH 3 RUSS BATES, AUGUSTIN ZIDEK, ANNA POTAPENKO, ALEX BRIDGLAND, REMARK 1 AUTH 4 CLEMENS MEYER, SIMON A A KOHL, ANDREW J BALLARD, REMARK 1 AUTH 5 ANDREW COWIE, BERNARDINO ROMERA-PAREDES, STANISLAV NIKOLOV, REMARK 1 AUTH 6 RISHUB JAIN, JONAS ADLER, TREVOR BACK, STIG PETERSEN, REMARK 1 AUTH 7 DAVID REIMAN, ELLEN CLANCY, MICHAL ZIELINSKI, REMARK 1 AUTH 8 MARTIN STEINEGGER, MICHALINA PACHOLSKA, TAMAS BERGHAMMER, REMARK 1 AUTH 9 DAVID SILVER, ORIOL VINYALS, ANDREW W SENIOR, REMARK 1 AUTH10 KORAY KAVUKCUOGLU, PUSHMEET KOHLI, DEMIS HASSABIS REMARK 1 TITL HIGHLY ACCURATE PROTEIN STRUCTURE PREDICTION WITH ALPHAFOLD REMARK 1 REF NATURE V. 596 583 2021 REMARK 1 REFN ISSN 0028-0836 REMARK 1 PMID 34265844 REMARK 1 DOI 10.1038/s41586-021-03819-2 REMARK 1 REMARK 1 DISCLAIMERS REMARK 1 ALPHAFOLD DATA, COPYRIGHT (2021) DEEPMIND TECHNOLOGIES LIMITED. THE REMARK 1 INFORMATION PROVIDED IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD REMARK 1 BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY REMARK 1 OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT REMARK 1 USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD REMARK 1 PARTY. THE INFORMATION IS NOT INTENDED TO BE A SUBSTITUTE FOR REMARK 1 PROFESSIONAL MEDICAL ADVICE, DIAGNOSIS, OR TREATMENT, AND DOES NOT REMARK 1 CONSTITUTE MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS AVAILABLE FOR REMARK 1 ACADEMIC AND COMMERCIAL PURPOSES, UNDER CC-BY 4.0 LICENCE. DBREF XXXX A 1 77 UNP Q8LAD7 IDA_ARATH 1 77 SEQRES 1 A 77 MET ALA PRO CYS ARG THR MET MET VAL LEU LEU CYS PHE SEQRES 2 A 77 VAL LEU PHE LEU ALA ALA SER SER SER CYS VAL ALA ALA SEQRES 3 A 77 ALA ARG ILE GLY ALA THR MET GLU MET LYS LYS ASN ILE SEQRES 4 A 77 LYS ARG LEU THR PHE LYS ASN SER HIS ILE PHE GLY TYR SEQRES 5 A 77 LEU PRO LYS GLY VAL PRO ILE PRO PRO SER ALA PRO SER SEQRES 6 A 77 LYS ARG HIS ASN SER PHE VAL ASN SER LEU PRO HIS CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1 ATOM 186 N ALA A 27 13.770 5.058 -17.903 1.00 57.29 N ATOM 187 CA ALA A 27 13.388 5.627 -16.606 1.00 57.29 C ATOM 188 C ALA A 27 11.898 6.011 -16.495 1.00 57.29 C ATOM 189 CB ALA A 27 14.317 6.799 -16.273 1.00 57.29 C ATOM 190 O ALA A 27 11.425 6.233 -15.383 1.00 57.29 O ATOM 191 N ARG A 28 11.144 6.107 -17.606 1.00 59.05 N ATOM 192 CA ARG A 28 9.712 6.475 -17.568 1.00 59.05 C ATOM 193 C ARG A 28 8.815 5.755 -18.574 1.00 59.05 C ATOM 194 CB ARG A 28 9.507 8.000 -17.668 1.00 59.05 C ATOM 195 O ARG A 28 7.752 6.282 -18.898 1.00 59.05 O ATOM 196 CG ARG A 28 10.137 8.800 -16.524 1.00 59.05 C ATOM 197 CD ARG A 28 9.411 10.139 -16.394 1.00 59.05 C ATOM 198 NE ARG A 28 10.141 11.070 -15.519 1.00 59.05 N ATOM 199 NH1 ARG A 28 8.331 12.152 -14.599 1.00 59.05 N ATOM 200 NH2 ARG A 28 10.393 12.891 -14.186 1.00 59.05 N ATOM 201 CZ ARG A 28 9.617 12.024 -14.773 1.00 59.05 C ATOM 202 N ILE A 29 9.164 4.556 -19.049 1.00 52.29 N ATOM 203 CA ILE A 29 8.110 3.730 -19.653 1.00 52.29 C ATOM 204 C ILE A 29 7.173 3.383 -18.505 1.00 52.29 C ATOM 205 CB ILE A 29 8.629 2.504 -20.430 1.00 52.29 C ATOM 206 O ILE A 29 7.526 2.610 -17.617 1.00 52.29 O ATOM 207 CG1 ILE A 29 9.439 2.999 -21.646 1.00 52.29 C ATOM 208 CG2 ILE A 29 7.443 1.642 -20.913 1.00 52.29 C ATOM 209 CD1 ILE A 29 10.228 1.902 -22.368 1.00 52.29 C ATOM 210 N GLY A 30 6.011 4.035 -18.507 1.00 55.63 N ATOM 211 CA GLY A 30 4.887 3.824 -17.608 1.00 55.63 C ATOM 212 C GLY A 30 4.277 2.436 -17.764 1.00 55.63 C ATOM 213 O GLY A 30 3.062 2.304 -17.859 1.00 55.63 O ATOM 214 N ALA A 31 5.108 1.394 -17.737 1.00 54.56 N ATOM 215 CA ALA A 31 4.720 0.129 -17.168 1.00 54.56 C ATOM 216 C ALA A 31 4.403 0.431 -15.705 1.00 54.56 C ATOM 217 CB ALA A 31 5.848 -0.892 -17.360 1.00 54.56 C ATOM 218 O ALA A 31 5.256 0.386 -14.816 1.00 54.56 O ATOM 219 N THR A 32 3.146 0.794 -15.474 1.00 51.93 N ATOM 220 CA THR A 32 2.442 0.461 -14.254 1.00 51.93 C ATOM 221 C THR A 32 2.690 -1.025 -14.043 1.00 51.93 C ATOM 222 CB THR A 32 0.938 0.752 -14.409 1.00 51.93 C ATOM 223 O THR A 32 1.956 -1.883 -14.531 1.00 51.93 O ATOM 224 CG2 THR A 32 0.665 2.246 -14.585 1.00 51.93 C ATOM 225 OG1 THR A 32 0.434 0.118 -15.561 1.00 51.93 O ATOM 226 N MET A 33 3.783 -1.364 -13.364 1.00 52.85 N ATOM 227 CA MET A 33 3.790 -2.613 -12.652 1.00 52.85 C ATOM 228 C MET A 33 2.628 -2.437 -11.694 1.00 52.85 C ATOM 229 CB MET A 33 5.135 -2.894 -11.967 1.00 52.85 C ATOM 230 O MET A 33 2.694 -1.620 -10.772 1.00 52.85 O ATOM 231 CG MET A 33 6.245 -3.028 -13.017 1.00 52.85 C ATOM 232 SD MET A 33 7.590 -4.147 -12.546 1.00 52.85 S ATOM 233 CE MET A 33 7.693 -5.121 -14.075 1.00 52.85 C ATOM 234 N GLU A 34 1.536 -3.139 -11.986 1.00 55.75 N ATOM 235 CA GLU A 34 0.616 -3.643 -10.987 1.00 55.75 C ATOM 236 C GLU A 34 1.506 -4.332 -9.962 1.00 55.75 C ATOM 237 CB GLU A 34 -0.363 -4.640 -11.631 1.00 55.75 C ATOM 238 O GLU A 34 1.771 -5.535 -9.999 1.00 55.75 O ATOM 239 CG GLU A 34 -1.516 -3.960 -12.384 1.00 55.75 C ATOM 240 CD GLU A 34 -2.489 -3.243 -11.438 1.00 55.75 C ATOM 241 OE1 GLU A 34 -2.912 -2.121 -11.783 1.00 55.75 O ATOM 242 OE2 GLU A 34 -2.760 -3.803 -10.348 1.00 55.75 O ATOM 243 N MET A 35 2.083 -3.537 -9.065 1.00 53.08 N ATOM 244 CA MET A 35 2.668 -4.064 -7.875 1.00 53.08 C ATOM 245 C MET A 35 1.425 -4.567 -7.168 1.00 53.08 C ATOM 246 CB MET A 35 3.493 -2.995 -7.137 1.00 53.08 C ATOM 247 O MET A 35 0.724 -3.807 -6.499 1.00 53.08 O ATOM 248 CG MET A 35 4.525 -3.642 -6.204 1.00 53.08 C ATOM 249 SD MET A 35 5.545 -2.451 -5.289 1.00 53.08 S ATOM 250 CE MET A 35 6.738 -3.566 -4.501 1.00 53.08 C ATOM 251 N LYS A 36 1.144 -5.865 -7.335 1.00 51.89 N ATOM 252 CA LYS A 36 0.385 -6.672 -6.387 1.00 51.89 C ATOM 253 C LYS A 36 1.202 -6.654 -5.106 1.00 51.89 C ATOM 254 CB LYS A 36 0.137 -8.069 -6.964 1.00 51.89 C ATOM 255 O LYS A 36 1.888 -7.596 -4.715 1.00 51.89 O ATOM 256 CG LYS A 36 -0.821 -8.875 -6.074 1.00 51.89 C ATOM 257 CD LYS A 36 -1.070 -10.254 -6.694 1.00 51.89 C ATOM 258 CE LYS A 36 -2.093 -11.047 -5.874 1.00 51.89 C ATOM 259 NZ LYS A 36 -2.318 -12.392 -6.462 1.00 51.89 N ATOM 260 N LYS A 37 1.239 -5.467 -4.523 1.00 51.03 N ATOM 261 CA LYS A 37 2.076 -5.060 -3.432 1.00 51.03 C ATOM 262 C LYS A 37 1.383 -5.770 -2.300 1.00 51.03 C ATOM 263 CB LYS A 37 2.100 -3.515 -3.446 1.00 51.03 C ATOM 264 O LYS A 37 0.279 -5.414 -1.890 1.00 51.03 O ATOM 265 CG LYS A 37 3.293 -2.830 -2.759 1.00 51.03 C ATOM 266 CD LYS A 37 3.279 -1.319 -3.090 1.00 51.03 C ATOM 267 CE LYS A 37 4.572 -0.582 -2.709 1.00 51.03 C ATOM 268 NZ LYS A 37 4.559 0.825 -3.191 1.00 51.03 N ATOM 269 N ASN A 38 1.993 -6.852 -1.839 1.00 56.01 N ATOM 270 CA ASN A 38 1.671 -7.421 -0.548 1.00 56.01 C ATOM 271 C ASN A 38 2.120 -6.380 0.502 1.00 56.01 C ATOM 272 CB ASN A 38 2.324 -8.814 -0.450 1.00 56.01 C ATOM 273 O ASN A 38 3.067 -6.597 1.251 1.00 56.01 O ATOM 274 CG ASN A 38 1.649 -9.688 0.589 1.00 56.01 C ATOM 275 ND2 ASN A 38 0.701 -10.503 0.185 1.00 56.01 N ATOM 276 OD1 ASN A 38 1.929 -9.635 1.772 1.00 56.01 O ATOM 277 N ILE A 39 1.477 -5.198 0.498 1.00 57.44 N ATOM 278 CA ILE A 39 1.744 -4.033 1.356 1.00 57.44 C ATOM 279 C ILE A 39 1.676 -4.462 2.816 1.00 57.44 C ATOM 280 CB ILE A 39 0.734 -2.882 1.065 1.00 57.44 C ATOM 281 O ILE A 39 2.324 -3.867 3.658 1.00 57.44 O ATOM 282 CG1 ILE A 39 0.997 -2.286 -0.327 1.00 57.44 C ATOM 283 CG2 ILE A 39 0.806 -1.747 2.102 1.00 57.44 C ATOM 284 CD1 ILE A 39 -0.039 -1.280 -0.846 1.00 57.44 C ATOM 285 N LYS A 40 0.975 -5.560 3.109 1.00 55.98 N ATOM 286 CA LYS A 40 0.893 -6.144 4.442 1.00 55.98 C ATOM 287 C LYS A 40 2.262 -6.514 5.036 1.00 55.98 C ATOM 288 CB LYS A 40 -0.059 -7.353 4.417 1.00 55.98 C ATOM 289 O LYS A 40 2.382 -6.499 6.253 1.00 55.98 O ATOM 290 CG LYS A 40 -1.462 -6.990 3.892 1.00 55.98 C ATOM 291 CD LYS A 40 -2.478 -8.111 4.155 1.00 55.98 C ATOM 292 CE LYS A 40 -3.846 -7.746 3.555 1.00 55.98 C ATOM 293 NZ LYS A 40 -4.905 -8.721 3.931 1.00 55.98 N ATOM 294 N ARG A 41 3.288 -6.838 4.230 1.00 56.07 N ATOM 295 CA ARG A 41 4.590 -7.300 4.761 1.00 56.07 C ATOM 296 C ARG A 41 5.672 -6.226 4.864 1.00 56.07 C ATOM 297 CB ARG A 41 5.091 -8.522 3.975 1.00 56.07 C ATOM 298 O ARG A 41 6.529 -6.357 5.733 1.00 56.07 O ATOM 299 CG ARG A 41 4.272 -9.782 4.298 1.00 56.07 C ATOM 300 CD ARG A 41 4.868 -11.009 3.595 1.00 56.07 C ATOM 301 NE ARG A 41 4.048 -12.217 3.814 1.00 56.07 N ATOM 302 NH1 ARG A 41 5.648 -13.801 3.328 1.00 56.07 N ATOM 303 NH2 ARG A 41 3.589 -14.451 3.865 1.00 56.07 N ATOM 304 CZ ARG A 41 4.431 -13.476 3.670 1.00 56.07 C ATOM 305 N LEU A 42 5.672 -5.200 4.007 1.00 54.95 N ATOM 306 CA LEU A 42 6.791 -4.245 3.961 1.00 54.95 C ATOM 307 C LEU A 42 6.629 -3.077 4.947 1.00 54.95 C ATOM 308 CB LEU A 42 7.041 -3.774 2.515 1.00 54.95 C ATOM 309 O LEU A 42 7.616 -2.659 5.541 1.00 54.95 O ATOM 310 CG LEU A 42 8.475 -3.238 2.293 1.00 54.95 C ATOM 311 CD1 LEU A 42 9.508 -4.370 2.254 1.00 54.95 C ATOM 312 CD2 LEU A 42 8.551 -2.495 0.960 1.00 54.95 C ATOM 313 N THR A 43 5.410 -2.582 5.181 1.00 56.16 N ATOM 314 CA THR A 43 5.186 -1.461 6.115 1.00 56.16 C ATOM 315 C THR A 43 5.188 -1.872 7.584 1.00 56.16 C ATOM 316 CB THR A 43 3.888 -0.703 5.804 1.00 56.16 C ATOM 317 O THR A 43 5.424 -1.023 8.434 1.00 56.16 O ATOM 318 CG2 THR A 43 4.083 0.298 4.668 1.00 56.16 C ATOM 319 OG1 THR A 43 2.882 -1.597 5.395 1.00 56.16 O ATOM 320 N PHE A 44 4.985 -3.153 7.912 1.00 57.70 N ATOM 321 CA PHE A 44 4.983 -3.585 9.314 1.00 57.70 C ATOM 322 C PHE A 44 6.386 -3.809 9.892 1.00 57.70 C ATOM 323 CB PHE A 44 4.093 -4.823 9.492 1.00 57.70 C ATOM 324 O PHE A 44 6.535 -3.874 11.106 1.00 57.70 O ATOM 325 CG PHE A 44 3.635 -5.005 10.929 1.00 57.70 C ATOM 326 CD1 PHE A 44 4.277 -5.921 11.785 1.00 57.70 C ATOM 327 CD2 PHE A 44 2.592 -4.202 11.430 1.00 57.70 C ATOM 328 CE1 PHE A 44 3.876 -6.034 13.128 1.00 57.70 C ATOM 329 CE2 PHE A 44 2.191 -4.315 12.772 1.00 57.70 C ATOM 330 CZ PHE A 44 2.833 -5.232 13.622 1.00 57.70 C ATOM 331 N LYS A 45 7.429 -3.944 9.058 1.00 60.99 N ATOM 332 CA LYS A 45 8.742 -4.348 9.576 1.00 60.99 C ATOM 333 C LYS A 45 9.508 -3.231 10.293 1.00 60.99 C ATOM 334 CB LYS A 45 9.570 -5.092 8.511 1.00 60.99 C ATOM 335 O LYS A 45 10.121 -3.526 11.308 1.00 60.99 O ATOM 336 CG LYS A 45 9.237 -6.594 8.505 1.00 60.99 C ATOM 337 CD LYS A 45 10.244 -7.390 7.664 1.00 60.99 C ATOM 338 CE LYS A 45 9.993 -8.895 7.820 1.00 60.99 C ATOM 339 NZ LYS A 45 11.097 -9.692 7.228 1.00 60.99 N ATOM 340 N ASN A 46 9.484 -1.977 9.826 1.00 60.70 N ATOM 341 CA ASN A 46 10.541 -1.030 10.231 1.00 60.70 C ATOM 342 C ASN A 46 10.101 0.397 10.605 1.00 60.70 C ATOM 343 CB ASN A 46 11.664 -1.051 9.169 1.00 60.70 C ATOM 344 O ASN A 46 10.958 1.270 10.701 1.00 60.70 O ATOM 345 CG ASN A 46 12.613 -2.233 9.299 1.00 60.70 C ATOM 346 ND2 ASN A 46 13.887 -2.027 9.084 1.00 60.70 N ATOM 347 OD1 ASN A 46 12.255 -3.368 9.530 1.00 60.70 O ATOM 348 N SER A 47 8.823 0.680 10.865 1.00 61.45 N ATOM 349 CA SER A 47 8.453 2.019 11.343 1.00 61.45 C ATOM 350 C SER A 47 7.463 1.957 12.500 1.00 61.45 C ATOM 351 CB SER A 47 8.018 2.913 10.172 1.00 61.45 C ATOM 352 O SER A 47 6.252 2.045 12.307 1.00 61.45 O ATOM 353 OG SER A 47 6.734 2.579 9.692 1.00 61.45 O ATOM 354 N HIS A 48 7.991 1.855 13.722 1.00 64.78 N ATOM 355 CA HIS A 48 7.287 2.288 14.931 1.00 64.78 C ATOM 356 C HIS A 48 7.111 3.816 14.892 1.00 64.78 C ATOM 357 CB HIS A 48 8.054 1.851 16.192 1.00 64.78 C ATOM 358 O HIS A 48 7.716 4.552 15.666 1.00 64.78 O ATOM 359 CG HIS A 48 8.089 0.371 16.465 1.00 64.78 C ATOM 360 CD2 HIS A 48 7.048 -0.513 16.360 1.00 64.78 C ATOM 361 ND1 HIS A 48 9.151 -0.319 17.006 1.00 64.78 N ATOM 362 CE1 HIS A 48 8.763 -1.589 17.209 1.00 64.78 C ATOM 363 NE2 HIS A 48 7.489 -1.755 16.825 1.00 64.78 N ATOM 364 N ILE A 49 6.321 4.319 13.945 1.00 69.57 N ATOM 365 CA ILE A 49 5.827 5.689 14.001 1.00 69.57 C ATOM 366 C ILE A 49 4.657 5.649 14.979 1.00 69.57 C ATOM 367 CB ILE A 49 5.451 6.231 12.607 1.00 69.57 C ATOM 368 O ILE A 49 3.558 5.207 14.644 1.00 69.57 O ATOM 369 CG1 ILE A 49 6.693 6.303 11.693 1.00 69.57 C ATOM 370 CG2 ILE A 49 4.851 7.639 12.748 1.00 69.57 C ATOM 371 CD1 ILE A 49 6.351 6.497 10.210 1.00 69.57 C ATOM 372 N PHE A 50 4.908 6.073 16.212 1.00 75.31 N ATOM 373 CA PHE A 50 3.846 6.308 17.180 1.00 75.31 C ATOM 374 C PHE A 50 2.973 7.479 16.697 1.00 75.31 C ATOM 375 CB PHE A 50 4.457 6.540 18.570 1.00 75.31 C ATOM 376 O PHE A 50 3.485 8.473 16.186 1.00 75.31 O ATOM 377 CG PHE A 50 5.190 5.327 19.123 1.00 75.31 C ATOM 378 CD1 PHE A 50 4.465 4.295 19.750 1.00 75.31 C ATOM 379 CD2 PHE A 50 6.589 5.214 18.998 1.00 75.31 C ATOM 380 CE1 PHE A 50 5.131 3.161 20.249 1.00 75.31 C ATOM 381 CE2 PHE A 50 7.255 4.081 19.500 1.00 75.31 C ATOM 382 CZ PHE A 50 6.527 3.054 20.125 1.00 75.31 C ATOM 383 N GLY A 51 1.650 7.354 16.831 1.00 72.26 N ATOM 384 CA GLY A 51 0.695 8.438 16.557 1.00 72.26 C ATOM 385 C GLY A 51 -0.104 8.340 15.253 1.00 72.26 C ATOM 386 O GLY A 51 -1.078 9.071 15.106 1.00 72.26 O ATOM 387 N TYR A 52 0.221 7.419 14.339 1.00 74.50 N ATOM 388 CA TYR A 52 -0.561 7.225 13.112 1.00 74.50 C ATOM 389 C TYR A 52 -1.122 5.807 13.031 1.00 74.50 C ATOM 390 CB TYR A 52 0.264 7.595 11.874 1.00 74.50 C ATOM 391 O TYR A 52 -0.384 4.835 12.885 1.00 74.50 O ATOM 392 CG TYR A 52 0.603 9.072 11.797 1.00 74.50 C ATOM 393 CD1 TYR A 52 -0.256 9.974 11.141 1.00 74.50 C ATOM 394 CD2 TYR A 52 1.771 9.550 12.416 1.00 74.50 C ATOM 395 CE1 TYR A 52 0.069 11.344 11.089 1.00 74.50 C ATOM 396 CE2 TYR A 52 2.109 10.913 12.360 1.00 74.50 C ATOM 397 OH TYR A 52 1.561 13.135 11.633 1.00 74.50 O ATOM 398 CZ TYR A 52 1.255 11.814 11.692 1.00 74.50 C ATOM 399 N LEU A 53 -2.450 5.689 13.089 1.00 73.40 N ATOM 400 CA LEU A 53 -3.124 4.437 12.756 1.00 73.40 C ATOM 401 C LEU A 53 -3.110 4.242 11.234 1.00 73.40 C ATOM 402 CB LEU A 53 -4.556 4.412 13.318 1.00 73.40 C ATOM 403 O LEU A 53 -3.359 5.206 10.498 1.00 73.40 O ATOM 404 CG LEU A 53 -4.617 4.360 14.855 1.00 73.40 C ATOM 405 CD1 LEU A 53 -6.063 4.495 15.320 1.00 73.40 C ATOM 406 CD2 LEU A 53 -4.072 3.043 15.416 1.00 73.40 C ATOM 407 N PRO A 54 -2.860 3.016 10.740 1.00 70.03 N ATOM 408 CA PRO A 54 -2.965 2.727 9.318 1.00 70.03 C ATOM 409 C PRO A 54 -4.360 3.114 8.815 1.00 70.03 C ATOM 410 CB PRO A 54 -2.656 1.233 9.170 1.00 70.03 C ATOM 411 O PRO A 54 -5.383 2.671 9.336 1.00 70.03 O ATOM 412 CG PRO A 54 -2.946 0.656 10.556 1.00 70.03 C ATOM 413 CD PRO A 54 -2.595 1.801 11.496 1.00 70.03 C ATOM 414 N LYS A 55 -4.407 3.981 7.802 1.00 79.38 N ATOM 415 CA LYS A 55 -5.657 4.390 7.155 1.00 79.38 C ATOM 416 C LYS A 55 -6.100 3.284 6.189 1.00 79.38 C ATOM 417 CB LYS A 55 -5.481 5.757 6.464 1.00 79.38 C ATOM 418 O LYS A 55 -5.267 2.670 5.530 1.00 79.38 O ATOM 419 CG LYS A 55 -4.947 6.883 7.376 1.00 79.38 C ATOM 420 CD LYS A 55 -5.848 7.271 8.561 1.00 79.38 C ATOM 421 CE LYS A 55 -7.127 7.981 8.089 1.00 79.38 C ATOM 422 NZ LYS A 55 -7.944 8.470 9.230 1.00 79.38 N ATOM 423 N GLY A 56 -7.407 3.032 6.108 1.00 82.03 N ATOM 424 CA GLY A 56 -7.996 2.053 5.182 1.00 82.03 C ATOM 425 C GLY A 56 -8.188 0.639 5.742 1.00 82.03 C ATOM 426 O GLY A 56 -8.772 -0.198 5.059 1.00 82.03 O ATOM 427 N VAL A 57 -7.759 0.366 6.978 1.00 80.17 N ATOM 428 CA VAL A 57 -8.167 -0.840 7.713 1.00 80.17 C ATOM 429 C VAL A 57 -9.253 -0.478 8.731 1.00 80.17 C ATOM 430 CB VAL A 57 -6.989 -1.579 8.372 1.00 80.17 C ATOM 431 O VAL A 57 -9.057 0.468 9.496 1.00 80.17 O ATOM 432 CG1 VAL A 57 -6.199 -2.356 7.312 1.00 80.17 C ATOM 433 CG2 VAL A 57 -6.015 -0.665 9.121 1.00 80.17 C ATOM 434 N PRO A 58 -10.397 -1.187 8.756 1.00 82.06 N ATOM 435 CA PRO A 58 -11.395 -1.001 9.802 1.00 82.06 C ATOM 436 C PRO A 58 -10.773 -1.259 11.178 1.00 82.06 C ATOM 437 CB PRO A 58 -12.531 -1.983 9.486 1.00 82.06 C ATOM 438 O PRO A 58 -10.203 -2.324 11.417 1.00 82.06 O ATOM 439 CG PRO A 58 -12.379 -2.234 7.986 1.00 82.06 C ATOM 440 CD PRO A 58 -10.871 -2.150 7.774 1.00 82.06 C ATOM 441 N ILE A 59 -10.872 -0.282 12.076 1.00 80.83 N ATOM 442 CA ILE A 59 -10.506 -0.459 13.483 1.00 80.83 C ATOM 443 C ILE A 59 -11.702 -1.150 14.149 1.00 80.83 C ATOM 444 CB ILE A 59 -10.170 0.895 14.145 1.00 80.83 C ATOM 445 O ILE A 59 -12.812 -0.620 14.048 1.00 80.83 O ATOM 446 CG1 ILE A 59 -8.991 1.598 13.429 1.00 80.83 C ATOM 447 CG2 ILE A 59 -9.829 0.698 15.634 1.00 80.83 C ATOM 448 CD1 ILE A 59 -8.982 3.111 13.673 1.00 80.83 C ATOM 449 N PRO A 60 -11.530 -2.324 14.783 1.00 83.32 N ATOM 450 CA PRO A 60 -12.646 -3.006 15.423 1.00 83.32 C ATOM 451 C PRO A 60 -13.222 -2.141 16.554 1.00 83.32 C ATOM 452 CB PRO A 60 -12.087 -4.338 15.931 1.00 83.32 C ATOM 453 O PRO A 60 -12.463 -1.429 17.220 1.00 83.32 O ATOM 454 CG PRO A 60 -10.602 -4.040 16.137 1.00 83.32 C ATOM 455 CD PRO A 60 -10.287 -3.038 15.027 1.00 83.32 C ATOM 456 N PRO A 61 -14.543 -2.200 16.802 1.00 85.72 N ATOM 457 CA PRO A 61 -15.122 -1.554 17.971 1.00 85.72 C ATOM 458 C PRO A 61 -14.458 -2.115 19.233 1.00 85.72 C ATOM 459 CB PRO A 61 -16.622 -1.859 17.913 1.00 85.72 C ATOM 460 O PRO A 61 -14.210 -3.319 19.337 1.00 85.72 O ATOM 461 CG PRO A 61 -16.685 -3.177 17.140 1.00 85.72 C ATOM 462 CD PRO A 61 -15.527 -3.054 16.151 1.00 85.72 C ATOM 463 N SER A 62 -14.164 -1.256 20.206 1.00 85.95 N ATOM 464 CA SER A 62 -13.697 -1.723 21.510 1.00 85.95 C ATOM 465 C SER A 62 -14.833 -2.460 22.216 1.00 85.95 C ATOM 466 CB SER A 62 -13.203 -0.556 22.367 1.00 85.95 C ATOM 467 O SER A 62 -15.923 -1.907 22.370 1.00 85.95 O ATOM 468 OG SER A 62 -14.200 0.444 22.435 1.00 85.95 O ATOM 469 N ALA A 63 -14.578 -3.684 22.674 1.00 86.80 N ATOM 470 CA ALA A 63 -15.500 -4.381 23.563 1.00 86.80 C ATOM 471 C ALA A 63 -15.642 -3.625 24.903 1.00 86.80 C ATOM 472 CB ALA A 63 -14.994 -5.813 23.771 1.00 86.80 C ATOM 473 O ALA A 63 -14.696 -2.942 25.316 1.00 86.80 O ATOM 474 N PRO A 64 -16.777 -3.764 25.616 1.00 85.09 N ATOM 475 CA PRO A 64 -16.920 -3.238 26.968 1.00 85.09 C ATOM 476 C PRO A 64 -15.791 -3.748 27.869 1.00 85.09 C ATOM 477 CB PRO A 64 -18.296 -3.701 27.464 1.00 85.09 C ATOM 478 O PRO A 64 -15.534 -4.950 27.955 1.00 85.09 O ATOM 479 CG PRO A 64 -19.074 -3.954 26.174 1.00 85.09 C ATOM 480 CD PRO A 64 -17.999 -4.437 25.204 1.00 85.09 C ATOM 481 N SER A 65 -15.109 -2.834 28.556 1.00 85.04 N ATOM 482 CA SER A 65 -14.123 -3.210 29.565 1.00 85.04 C ATOM 483 C SER A 65 -14.840 -3.794 30.781 1.00 85.04 C ATOM 484 CB SER A 65 -13.279 -1.994 29.955 1.00 85.04 C ATOM 485 O SER A 65 -15.753 -3.176 31.323 1.00 85.04 O ATOM 486 OG SER A 65 -12.480 -2.277 31.087 1.00 85.04 O ATOM 487 N LYS A 66 -14.380 -4.952 31.274 1.00 81.56 N ATOM 488 CA LYS A 66 -14.825 -5.494 32.573 1.00 81.56 C ATOM 489 C LYS A 66 -14.419 -4.586 33.743 1.00 81.56 C ATOM 490 CB LYS A 66 -14.295 -6.931 32.736 1.00 81.56 C ATOM 491 O LYS A 66 -14.982 -4.677 34.827 1.00 81.56 O ATOM 492 CG LYS A 66 -14.993 -7.689 33.878 1.00 81.56 C ATOM 493 CD LYS A 66 -14.576 -9.165 33.921 1.00 81.56 C ATOM 494 CE LYS A 66 -15.367 -9.888 35.020 1.00 81.56 C ATOM 495 NZ LYS A 66 -14.995 -11.322 35.128 1.00 81.56 N ATOM 496 N ARG A 67 -13.426 -3.717 33.531 1.00 82.62 N ATOM 497 CA ARG A 67 -12.983 -2.704 34.491 1.00 82.62 C ATOM 498 C ARG A 67 -13.737 -1.408 34.213 1.00 82.62 C ATOM 499 CB ARG A 67 -11.460 -2.501 34.395 1.00 82.62 C ATOM 500 O ARG A 67 -13.557 -0.826 33.143 1.00 82.62 O ATOM 501 CG ARG A 67 -10.659 -3.794 34.622 1.00 82.62 C ATOM 502 CD ARG A 67 -9.158 -3.575 34.394 1.00 82.62 C ATOM 503 NE ARG A 67 -8.562 -2.694 35.417 1.00 82.62 N ATOM 504 NH1 ARG A 67 -6.659 -2.107 34.266 1.00 82.62 N ATOM 505 NH2 ARG A 67 -6.997 -1.311 36.321 1.00 82.62 N ATOM 506 CZ ARG A 67 -7.415 -2.045 35.328 1.00 82.62 C ATOM 507 N HIS A 68 -14.521 -0.954 35.179 1.00 81.92 N ATOM 508 CA HIS A 68 -15.032 0.411 35.248 1.00 81.92 C ATOM 509 C HIS A 68 -14.438 1.085 36.489 1.00 81.92 C ATOM 510 CB HIS A 68 -16.569 0.405 35.240 1.00 81.92 C ATOM 511 O HIS A 68 -14.053 0.403 37.441 1.00 81.92 O ATOM 512 CG HIS A 68 -17.198 -0.277 36.431 1.00 81.92 C ATOM 513 CD2 HIS A 68 -17.648 -1.570 36.493 1.00 81.92 C ATOM 514 ND1 HIS A 68 -17.432 0.294 37.662 1.00 81.92 N ATOM 515 CE1 HIS A 68 -18.000 -0.636 38.448 1.00 81.92 C ATOM 516 NE2 HIS A 68 -18.145 -1.790 37.780 1.00 81.92 N ATOM 517 N ASN A 69 -14.357 2.416 36.494 1.00 78.79 N ATOM 518 CA ASN A 69 -14.076 3.130 37.736 1.00 78.79 C ATOM 519 C ASN A 69 -15.212 2.807 38.716 1.00 78.79 C ATOM 520 CB ASN A 69 -13.935 4.639 37.463 1.00 78.79 C ATOM 521 O ASN A 69 -16.389 2.925 38.364 1.00 78.79 O ATOM 522 CG ASN A 69 -12.702 4.986 36.644 1.00 78.79 C ATOM 523 ND2 ASN A 69 -12.676 6.148 36.033 1.00 78.79 N ATOM 524 OD1 ASN A 69 -11.752 4.230 36.532 1.00 78.79 O ATOM 525 N SER A 70 -14.888 2.352 39.924 1.00 79.18 N ATOM 526 CA SER A 70 -15.868 2.345 41.007 1.00 79.18 C ATOM 527 C SER A 70 -16.207 3.796 41.330 1.00 79.18 C ATOM 528 CB SER A 70 -15.319 1.627 42.244 1.00 79.18 C ATOM 529 O SER A 70 -15.297 4.615 41.477 1.00 79.18 O ATOM 530 OG SER A 70 -14.055 2.153 42.599 1.00 79.18 O ATOM 531 N PHE A 71 -17.494 4.117 41.450 1.00 77.81 N ATOM 532 CA PHE A 71 -17.911 5.383 42.043 1.00 77.81 C ATOM 533 C PHE A 71 -17.419 5.370 43.493 1.00 77.81 C ATOM 534 CB PHE A 71 -19.440 5.547 41.930 1.00 77.81 C ATOM 535 O PHE A 71 -17.928 4.618 44.321 1.00 77.81 O ATOM 536 CG PHE A 71 -19.874 6.856 41.301 1.00 77.81 C ATOM 537 CD1 PHE A 71 -20.199 7.962 42.111 1.00 77.81 C ATOM 538 CD2 PHE A 71 -19.972 6.963 39.900 1.00 77.81 C ATOM 539 CE1 PHE A 71 -20.620 9.167 41.519 1.00 77.81 C ATOM 540 CE2 PHE A 71 -20.396 8.168 39.310 1.00 77.81 C ATOM 541 CZ PHE A 71 -20.719 9.270 40.121 1.00 77.81 C ATOM 542 N VAL A 72 -16.367 6.128 43.793 1.00 78.67 N ATOM 543 CA VAL A 72 -16.017 6.404 45.184 1.00 78.67 C ATOM 544 C VAL A 72 -17.036 7.440 45.635 1.00 78.67 C ATOM 545 CB VAL A 72 -14.561 6.889 45.334 1.00 78.67 C ATOM 546 O VAL A 72 -16.990 8.576 45.169 1.00 78.67 O ATOM 547 CG1 VAL A 72 -14.227 7.169 46.804 1.00 78.67 C ATOM 548 CG2 VAL A 72 -13.575 5.830 44.815 1.00 78.67 C ATOM 549 N ASN A 73 -17.989 7.047 46.483 1.00 73.99 N ATOM 550 CA ASN A 73 -18.865 8.001 47.159 1.00 73.99 C ATOM 551 C ASN A 73 -17.997 8.847 48.096 1.00 73.99 C ATOM 552 CB ASN A 73 -20.008 7.278 47.911 1.00 73.99 C ATOM 553 O ASN A 73 -17.827 8.526 49.267 1.00 73.99 O ATOM 554 CG ASN A 73 -21.326 7.258 47.158 1.00 73.99 C ATOM 555 ND2 ASN A 73 -22.418 7.036 47.853 1.00 73.99 N ATOM 556 OD1 ASN A 73 -21.405 7.450 45.958 1.00 73.99 O ATOM 557 N SER A 74 -17.415 9.922 47.575 1.00 71.73 N ATOM 558 CA SER A 74 -16.676 10.910 48.354 1.00 71.73 C ATOM 559 C SER A 74 -17.633 11.932 48.970 1.00 71.73 C ATOM 560 CB SER A 74 -15.593 11.557 47.483 1.00 71.73 C ATOM 561 O SER A 74 -17.382 13.132 48.877 1.00 71.73 O ATOM 562 OG SER A 74 -16.186 12.230 46.391 1.00 71.73 O ATOM 563 N LEU A 75 -18.759 11.483 49.538 1.00 76.81 N ATOM 564 CA LEU A 75 -19.578 12.359 50.371 1.00 76.81 C ATOM 565 C LEU A 75 -18.907 12.423 51.754 1.00 76.81 C ATOM 566 CB LEU A 75 -21.044 11.876 50.460 1.00 76.81 C ATOM 567 O LEU A 75 -18.835 11.385 52.415 1.00 76.81 O ATOM 568 CG LEU A 75 -22.040 12.930 49.935 1.00 76.81 C ATOM 569 CD1 LEU A 75 -22.195 12.816 48.416 1.00 76.81 C ATOM 570 CD2 LEU A 75 -23.414 12.758 50.578 1.00 76.81 C ATOM 571 N PRO A 76 -18.382 13.582 52.190 1.00 74.19 N ATOM 572 CA PRO A 76 -17.993 13.762 53.579 1.00 74.19 C ATOM 573 C PRO A 76 -19.258 13.735 54.445 1.00 74.19 C ATOM 574 CB PRO A 76 -17.238 15.091 53.631 1.00 74.19 C ATOM 575 O PRO A 76 -20.274 14.332 54.084 1.00 74.19 O ATOM 576 CG PRO A 76 -17.850 15.892 52.484 1.00 74.19 C ATOM 577 CD PRO A 76 -18.258 14.836 51.460 1.00 74.19 C ATOM 578 N HIS A 77 -19.189 12.975 55.534 1.00 65.30 N ATOM 579 CA HIS A 77 -20.249 12.841 56.529 1.00 65.30 C ATOM 580 C HIS A 77 -20.224 14.000 57.533 1.00 65.30 C ATOM 581 CB HIS A 77 -20.096 11.466 57.201 1.00 65.30 C ATOM 582 O HIS A 77 -19.137 14.600 57.703 1.00 65.30 O ATOM 583 CG HIS A 77 -21.370 10.950 57.811 1.00 65.30 C ATOM 584 CD2 HIS A 77 -22.049 9.817 57.456 1.00 65.30 C ATOM 585 ND1 HIS A 77 -22.100 11.577 58.782 1.00 65.30 N ATOM 586 CE1 HIS A 77 -23.188 10.828 59.029 1.00 65.30 C ATOM 587 NE2 HIS A 77 -23.203 9.735 58.244 1.00 65.30 N ATOM 588 OXT HIS A 77 -21.291 14.209 58.151 1.00 65.30 O TER 589 HIS A 77 ENDMDL END If you find results from this site helpful for your research, please cite one of our papers:
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