User input for job 697041

Modeling method CM only

• Superimpose partial threads before hybrid sampling.
• Sample 1 model.

Partial threads

wt: 1 >query GSAPTSS------STKKTQLQLEHLLLDLQMILNGINNYKNPKLHLMLSYGFYMPK-KATELKHLQCLEEELKPLEEVLNLAQSKFNHLRPRDLISNINVIVLELKGSETTFMCEY---------ADETATIVEFLNRWITFCQSIISTLTAAAHHHHHHHH >IL2RA.pdb AELCDDDPPEIPHATFKAMAYKEGTMLNCEC-KRGFRRIKSGSLYMLCTHSSWDNQCQCTSPGHCR----EPPPWE---NEATERIYHF---------------VVGQMVYYQCVQGYRALHRGPAESVCKMTHGKTRWTQ--PQLICT------------G ATOM 1 N GLY D 1 -5.445 51.319 11.168 1.00176.54 N ATOM 2 CA GLY D 1 -4.653 50.637 10.149 1.00161.94 C ATOM 3 C GLY D 1 -3.818 49.500 10.741 1.00178.11 C ATOM 4 O GLY D 1 -3.294 48.666 10.007 1.00176.23 O ATOM 6 N SER D 2 -3.703 49.467 12.065 1.00175.88 N ATOM 7 CA SER D 2 -2.826 48.524 12.748 1.00142.01 C ATOM 8 C SER D 2 -3.606 47.315 13.248 1.00115.14 C ATOM 9 O SER D 2 -4.565 47.464 14.007 1.00129.89 O ATOM 10 CB SER D 2 -2.112 49.205 13.915 1.00150.35 C ATOM 15 N ALA D 3 -3.157 46.122 12.856 1.00108.39 N ATOM 16 CA ALA D 3 -3.822 44.861 13.174 1.00127.47 C ATOM 17 C ALA D 3 -3.232 44.182 14.398 1.00135.26 C ATOM 18 O ALA D 3 -2.008 44.068 14.529 1.00126.08 O ATOM 19 CB ALA D 3 -3.757 43.892 11.995 1.00137.62 C ATOM 23 N PRO D 4 -4.120 43.714 15.279 1.00149.23 N ATOM 24 CA PRO D 4 -3.748 42.771 16.326 1.00158.94 C ATOM 25 C PRO D 4 -3.064 41.559 15.720 1.00130.40 C ATOM 26 O PRO D 4 -3.621 40.890 14.843 1.00105.84 O ATOM 27 CB PRO D 4 -4.989 42.334 17.103 1.00195.15 C ATOM 29 N THR D 5 -1.845 41.289 16.182 1.00143.11 N ATOM 30 CA THR D 5 -1.161 40.074 15.764 1.00139.47 C ATOM 31 C THR D 5 -1.900 38.841 16.266 1.00141.39 C ATOM 32 O THR D 5 -1.849 37.778 15.637 1.00130.59 O ATOM 33 CB THR D 5 0.267 40.086 16.302 1.00135.73 C ATOM 37 N SER D 6 -2.595 38.977 17.390 1.00148.25 N ATOM 38 CA SER D 6 -3.263 37.902 18.105 1.00142.18 C ATOM 39 C SER D 6 -4.768 37.990 17.872 1.00125.01 C ATOM 40 O SER D 6 -5.294 39.022 17.446 1.00127.56 O ATOM 41 CB SER D 6 -2.941 38.010 19.605 1.00176.86 C ATOM 45 N SER D 7 -5.461 36.881 18.133 1.00122.56 N ATOM 46 CA SER D 7 -6.908 36.993 18.122 1.00116.84 C ATOM 47 C SER D 7 -7.438 37.272 19.521 1.00123.16 C ATOM 48 O SER D 7 -6.742 37.049 20.519 1.00150.31 O ATOM 49 CB SER D 7 -7.538 35.724 17.546 1.00140.10 C ATOM 101 N SER D 8 -18.394 30.821 25.198 1.00112.96 N ATOM 102 CA SER D 8 -18.762 32.187 24.857 1.00127.46 C ATOM 103 C SER D 8 -18.225 32.562 23.483 1.00146.92 C ATOM 104 O SER D 8 -17.212 32.029 23.023 1.00159.28 O ATOM 105 CB SER D 8 -18.264 33.181 25.909 1.00130.50 C ATOM 106 N THR D 9 -18.914 33.510 22.850 1.00149.70 N ATOM 107 CA THR D 9 -18.671 33.934 21.481 1.00163.41 C ATOM 108 C THR D 9 -18.521 35.449 21.445 1.00157.15 C ATOM 109 O THR D 9 -19.317 36.173 22.048 1.00165.60 O ATOM 110 CB THR D 9 -19.817 33.482 20.570 1.00173.26 C ATOM 113 N LYS D 10 -17.506 35.928 20.741 1.00127.69 N ATOM 114 CA LYS D 10 -17.189 37.350 20.685 1.00107.87 C ATOM 115 C LYS D 10 -17.488 37.867 19.281 1.00 97.12 C ATOM 116 O LYS D 10 -16.810 37.497 18.315 1.00115.10 O ATOM 117 CB LYS D 10 -15.738 37.602 21.103 1.00100.14 C ATOM 124 N LYS D 11 -18.511 38.713 19.176 1.00 97.99 N ATOM 125 CA LYS D 11 -18.892 39.364 17.932 1.00101.52 C ATOM 126 C LYS D 11 -18.509 40.844 17.985 1.00110.92 C ATOM 127 O LYS D 11 -17.850 41.302 18.916 1.00109.47 O ATOM 128 CB LYS D 11 -20.387 39.185 17.654 1.00104.82 C ATOM 133 N THR D 12 -18.920 41.607 16.974 1.00119.64 N ATOM 134 CA THR D 12 -18.541 43.012 16.927 1.00106.68 C ATOM 135 C THR D 12 -19.691 43.845 16.381 1.00118.04 C ATOM 136 O THR D 12 -20.489 43.376 15.565 1.00153.18 O ATOM 137 CB THR D 12 -17.282 43.226 16.079 1.00 96.36 C ATOM 138 N GLN D 13 -19.767 45.094 16.842 1.00124.36 N ATOM 139 CA GLN D 13 -20.818 46.007 16.413 1.00157.93 C ATOM 140 C GLN D 13 -20.370 46.960 15.319 1.00159.38 C ATOM 141 O GLN D 13 -21.218 47.501 14.603 1.00134.26 O ATOM 142 CB GLN D 13 -21.337 46.822 17.606 1.00162.66 C ATOM 146 N LEU D 14 -19.068 47.179 15.179 1.00177.71 N ATOM 147 CA LEU D 14 -18.539 48.079 14.161 1.00170.85 C ATOM 148 C LEU D 14 -17.197 47.527 13.714 1.00173.11 C ATOM 149 O LEU D 14 -16.256 47.460 14.511 1.00183.98 O ATOM 150 CB LEU D 14 -18.393 49.509 14.693 1.00182.15 C ATOM 151 N GLN D 15 -17.119 47.134 12.449 1.00148.97 N ATOM 152 CA GLN D 15 -15.918 46.525 11.893 1.00140.42 C ATOM 153 C GLN D 15 -15.006 47.627 11.363 1.00128.59 C ATOM 154 O GLN D 15 -15.253 48.176 10.282 1.00121.07 O ATOM 155 CB GLN D 15 -16.277 45.560 10.771 1.00119.44 C ATOM 163 N LEU D 16 -13.938 47.925 12.104 1.00139.59 N ATOM 164 CA LEU D 16 -13.080 49.060 11.789 1.00134.11 C ATOM 165 C LEU D 16 -12.253 48.863 10.529 1.00135.36 C ATOM 166 O LEU D 16 -11.552 47.858 10.380 1.00130.00 O ATOM 167 CB LEU D 16 -12.161 49.373 12.963 1.00121.66 C ATOM 172 N GLU D 17 -12.370 49.838 9.619 1.00132.81 N ATOM 173 CA GLU D 17 -11.539 50.025 8.437 1.00144.87 C ATOM 174 C GLU D 17 -10.158 49.423 8.657 1.00130.71 C ATOM 175 O GLU D 17 -9.322 49.986 9.372 1.00126.19 O ATOM 176 CB GLU D 17 -11.477 51.526 8.116 1.00167.25 C ATOM 181 N HIS D 18 -9.935 48.251 8.078 1.00 98.25 N ATOM 182 CA HIS D 18 -8.762 47.471 8.393 1.00 95.77 C ATOM 183 C HIS D 18 -9.149 46.038 8.691 1.00108.46 C ATOM 184 O HIS D 18 -8.430 45.108 8.315 1.00102.38 O ATOM 185 N LEU D 19 -10.294 45.856 9.357 1.00125.88 N ATOM 186 CA LEU D 19 -10.795 44.530 9.704 1.00106.89 C ATOM 187 C LEU D 19 -10.900 43.645 8.471 1.00115.75 C ATOM 188 O LEU D 19 -11.356 44.084 7.414 1.00146.48 O ATOM 189 CB LEU D 19 -12.157 44.668 10.395 1.00109.56 C ATOM 192 N LEU D 20 -10.449 42.397 8.600 1.00108.47 N ATOM 193 CA LEU D 20 -10.540 41.426 7.519 1.00110.14 C ATOM 194 C LEU D 20 -11.335 40.207 7.963 1.00117.85 C ATOM 195 O LEU D 20 -11.370 39.857 9.146 1.00133.09 O ATOM 196 CB LEU D 20 -9.153 40.988 7.017 1.00105.64 C ATOM 200 N LEU D 21 -11.969 39.566 6.986 1.00119.49 N ATOM 201 CA LEU D 21 -12.865 38.436 7.203 1.00135.72 C ATOM 202 C LEU D 21 -12.390 37.257 6.365 1.00139.35 C ATOM 203 O LEU D 21 -12.365 37.342 5.135 1.00141.87 O ATOM 204 CB LEU D 21 -14.305 38.818 6.844 1.00110.77 C ATOM 208 N ASP D 22 -12.019 36.161 7.025 1.00127.23 N ATOM 209 CA ASP D 22 -11.529 34.986 6.314 1.00104.72 C ATOM 210 C ASP D 22 -12.611 34.399 5.412 1.00130.39 C ATOM 211 O ASP D 22 -13.806 34.452 5.718 1.00108.02 O ATOM 212 CB ASP D 22 -11.044 33.925 7.308 1.00108.55 C ATOM 216 N LEU D 23 -12.180 33.845 4.279 1.00147.19 N ATOM 217 CA LEU D 23 -13.054 33.055 3.406 1.00141.34 C ATOM 218 C LEU D 23 -12.946 31.601 3.855 1.00143.17 C ATOM 219 O LEU D 23 -11.980 30.910 3.528 1.00138.89 O ATOM 220 CB LEU D 23 -12.678 33.220 1.933 1.00150.92 C ATOM 222 N GLN D 24 -13.939 31.145 4.609 1.00142.18 N ATOM 223 CA GLN D 24 -13.921 29.831 5.238 1.00147.36 C ATOM 224 C GLN D 24 -15.166 29.056 4.853 1.00140.11 C ATOM 225 O GLN D 24 -16.285 29.482 5.157 1.00141.53 O ATOM 226 CB GLN D 24 -13.821 29.964 6.756 1.00154.83 C ATOM 231 N MET D 25 -14.970 27.912 4.209 1.00151.84 N ATOM 232 CA MET D 25 -16.080 27.182 3.617 1.00165.36 C ATOM 233 C MET D 25 -16.602 26.110 4.575 1.00153.12 C ATOM 234 O MET D 25 -15.912 25.676 5.502 1.00150.63 O ATOM 235 CB MET D 25 -15.649 26.545 2.298 1.00187.39 C ATOM 237 N LEU D 27 -17.847 25.707 4.340 1.00145.05 N ATOM 238 CA LEU D 27 -18.524 24.639 5.059 1.00136.63 C ATOM 239 C LEU D 27 -17.654 23.383 5.089 1.00153.21 C ATOM 240 O LEU D 27 -16.689 23.256 4.326 1.00150.04 O ATOM 241 CB LEU D 27 -19.890 24.394 4.405 1.00131.13 C ATOM 246 N ASN D 28 -17.961 22.482 6.039 1.00167.40 N ATOM 247 CA ASN D 28 -17.498 21.102 5.952 1.00175.02 C ATOM 248 C ASN D 28 -17.750 20.536 4.563 1.00180.83 C ATOM 249 O ASN D 28 -18.888 20.503 4.080 1.00178.20 O ATOM 250 CB ASN D 28 -18.152 20.204 7.024 1.00176.05 C ATOM 257 N GLY D 29 -16.667 20.115 3.918 1.00185.09 N ATOM 258 CA GLY D 29 -16.725 19.537 2.606 1.00179.03 C ATOM 259 C GLY D 29 -16.453 20.498 1.471 1.00166.98 C ATOM 260 O GLY D 29 -16.477 20.070 0.314 1.00166.44 O ATOM 261 N ILE D 30 -16.183 21.771 1.748 1.00158.39 N ATOM 262 CA ILE D 30 -16.030 22.758 0.692 1.00147.63 C ATOM 263 C ILE D 30 -14.694 23.478 0.771 1.00157.26 C ATOM 264 O ILE D 30 -14.203 23.820 1.852 1.00190.28 O ATOM 265 CB ILE D 30 -17.198 23.744 0.711 1.00140.58 C ATOM 272 N ASN D 31 -14.130 23.703 -0.415 1.00138.50 N ATOM 273 CA ASN D 31 -12.804 24.274 -0.599 1.00146.99 C ATOM 274 C ASN D 31 -12.957 25.522 -1.461 1.00138.35 C ATOM 275 O ASN D 31 -13.584 25.455 -2.527 1.00162.91 O ATOM 276 CB ASN D 31 -11.887 23.252 -1.282 1.00170.60 C ATOM 283 N ASN D 32 -12.404 26.664 -1.011 1.00136.62 N ATOM 284 CA ASN D 32 -12.485 27.885 -1.815 1.00129.50 C ATOM 285 C ASN D 32 -12.004 27.612 -3.232 1.00130.89 C ATOM 286 O ASN D 32 -11.240 26.665 -3.454 1.00129.60 O ATOM 287 CB ASN D 32 -11.642 29.019 -1.240 1.00110.88 C ATOM 294 N TYR D 33 -12.407 28.442 -4.198 1.00144.31 N ATOM 295 CA TYR D 33 -12.011 28.161 -5.572 1.00154.55 C ATOM 296 C TYR D 33 -10.484 28.186 -5.640 1.00148.96 C ATOM 297 O TYR D 33 -9.804 28.828 -4.822 1.00152.18 O ATOM 298 CB TYR D 33 -12.593 29.158 -6.589 1.00159.38 C ATOM 302 N LYS D 34 -9.940 27.451 -6.601 1.00173.61 N ATOM 303 CA LYS D 34 -8.531 27.585 -6.902 1.00191.71 C ATOM 304 C LYS D 34 -8.340 28.988 -7.479 1.00198.92 C ATOM 305 O LYS D 34 -9.198 29.483 -8.216 1.00194.53 O ATOM 306 CB LYS D 34 -8.130 26.496 -7.893 1.00197.61 C ATOM 311 N ASN D 35 -7.242 29.658 -7.105 1.00214.80 N ATOM 312 CA ASN D 35 -7.056 31.103 -7.363 1.00165.44 C ATOM 313 C ASN D 35 -8.176 31.963 -6.787 1.00147.81 C ATOM 314 O ASN D 35 -8.558 32.983 -7.366 1.00133.09 O ATOM 315 CB ASN D 35 -6.884 31.427 -8.852 1.00177.88 C ATOM 317 N PRO D 36 -8.691 31.572 -5.631 1.00161.91 N ATOM 318 CA PRO D 36 -9.681 32.361 -4.938 1.00161.30 C ATOM 319 C PRO D 36 -9.083 33.212 -3.844 1.00151.79 C ATOM 320 O PRO D 36 -7.963 32.989 -3.396 1.00142.02 O ATOM 321 N LYS D 37 -9.850 34.209 -3.421 1.00153.79 N ATOM 322 CA LYS D 37 -9.428 35.032 -2.301 1.00141.09 C ATOM 323 C LYS D 37 -9.433 34.211 -1.017 1.00121.90 C ATOM 324 O LYS D 37 -10.359 33.436 -0.755 1.00117.91 O ATOM 325 CB LYS D 37 -10.343 36.251 -2.159 1.00139.24 C ATOM 327 N LEU D 38 -8.372 34.370 -0.223 1.00111.47 N ATOM 328 CA LEU D 38 -8.313 33.756 1.095 1.00119.45 C ATOM 329 C LEU D 38 -9.134 34.522 2.121 1.00121.77 C ATOM 330 O LEU D 38 -9.568 33.932 3.115 1.00105.38 O ATOM 331 CB LEU D 38 -6.862 33.669 1.577 1.00 92.77 C ATOM 335 N HIS D 39 -9.351 35.816 1.898 1.00126.14 N ATOM 336 CA HIS D 39 -10.075 36.667 2.827 1.00108.85 C ATOM 337 C HIS D 39 -10.549 37.920 2.104 1.00113.55 C ATOM 338 O HIS D 39 -10.030 38.287 1.047 1.00139.41 O ATOM 339 CB HIS D 39 -9.211 37.035 4.044 1.00115.78 C ATOM 347 N LEU D 40 -11.554 38.564 2.693 1.00110.54 N ATOM 348 CA LEU D 40 -12.054 39.872 2.297 1.00130.24 C ATOM 349 C LEU D 40 -11.543 40.932 3.269 1.00145.46 C ATOM 350 O LEU D 40 -11.134 40.629 4.393 1.00175.14 O ATOM 351 CB LEU D 40 -13.586 39.882 2.275 1.00113.12 C ATOM 355 N MET D 41 -11.606 42.191 2.836 1.00133.68 N ATOM 356 CA MET D 41 -11.022 43.287 3.598 1.00119.14 C ATOM 357 C MET D 41 -11.867 44.547 3.448 1.00137.54 C ATOM 358 O MET D 41 -12.570 44.729 2.449 1.00148.00 O ATOM 359 CB MET D 41 -9.580 43.552 3.149 1.00 93.35 C ATOM 363 N LEU D 42 -11.793 45.407 4.462 1.00138.22 N ATOM 364 CA LEU D 42 -12.578 46.632 4.552 1.00136.66 C ATOM 365 C LEU D 42 -11.781 47.834 4.057 1.00133.73 C ATOM 366 O LEU D 42 -10.573 47.935 4.296 1.00147.23 O ATOM 367 CB LEU D 42 -13.018 46.872 5.997 1.00124.22 C ATOM 369 N SER D 43 -12.469 48.757 3.390 1.00114.51 N ATOM 370 CA SER D 43 -11.828 49.957 2.858 1.00116.04 C ATOM 371 C SER D 43 -12.797 51.139 2.868 1.00121.85 C ATOM 372 O SER D 43 -12.388 52.302 2.824 1.00121.14 O ATOM 373 CB SER D 43 -11.317 49.729 1.422 1.00142.05 C ATOM 376 N TYR D 44 -17.890 56.635 2.560 1.00191.09 N ATOM 377 CA TYR D 44 -16.647 56.722 1.805 1.00192.72 C ATOM 378 C TYR D 44 -15.709 55.556 2.111 1.00191.56 C ATOM 379 O TYR D 44 -14.484 55.707 2.036 1.00185.97 O ATOM 380 CB TYR D 44 -15.934 58.046 2.101 1.00191.11 C ATOM 386 N GLY D 45 -16.278 54.392 2.449 1.00186.08 N ATOM 387 CA GLY D 45 -15.474 53.262 2.909 1.00188.01 C ATOM 388 C GLY D 45 -16.261 51.953 3.017 1.00184.32 C ATOM 389 O GLY D 45 -17.120 51.814 3.895 1.00175.06 O ATOM 392 N PHE D 46 -15.955 50.970 2.163 1.00183.94 N ATOM 393 CA PHE D 46 -16.650 49.685 2.173 1.00181.17 C ATOM 394 C PHE D 46 -15.670 48.557 1.851 1.00152.77 C ATOM 395 O PHE D 46 -14.479 48.785 1.629 1.00149.15 O ATOM 396 CB PHE D 46 -17.833 49.683 1.200 1.00206.52 C ATOM 398 N TYR D 47 -16.183 47.325 1.829 1.00151.78 N ATOM 399 CA TYR D 47 -15.355 46.141 1.628 1.00158.15 C ATOM 400 C TYR D 47 -14.877 46.042 0.176 1.00189.13 C ATOM 401 O TYR D 47 -15.295 46.802 -0.702 1.00214.67 O ATOM 402 CB TYR D 47 -16.127 44.868 2.004 1.00143.41 C ATOM 412 N MET D 48 -13.980 45.083 -0.067 1.00177.51 N ATOM 413 CA MET D 48 -13.587 44.699 -1.419 1.00166.13 C ATOM 414 C MET D 48 -13.090 43.255 -1.410 1.00149.08 C ATOM 415 O MET D 48 -12.600 42.764 -0.390 1.00140.29 O ATOM 416 CB MET D 48 -12.551 45.667 -2.017 1.00169.19 C ATOM 420 N PRO D 49 -13.215 42.595 -2.571 1.00156.62 N ATOM 421 CA PRO D 49 -13.075 41.146 -2.786 1.00142.02 C ATOM 422 C PRO D 49 -14.295 40.354 -2.328 1.00140.38 C ATOM 423 O PRO D 49 -15.161 40.867 -1.610 1.00137.83 O ATOM 424 CB PRO D 49 -11.835 40.550 -2.109 1.00130.26 C ATOM 428 N LYS D 50 -14.355 39.090 -2.752 1.00140.13 N ATOM 429 CA LYS D 50 -15.491 38.204 -2.515 1.00151.10 C ATOM 430 C LYS D 50 -14.999 36.763 -2.406 1.00143.50 C ATOM 431 O LYS D 50 -13.941 36.409 -2.935 1.00132.75 O ATOM 432 CB LYS D 50 -16.543 38.341 -3.630 1.00163.94 C ATOM 443 N LYS D 51 -15.676 32.437 -2.669 1.00156.30 N ATOM 444 CA LYS D 51 -16.267 31.426 -3.539 1.00165.53 C ATOM 445 C LYS D 51 -15.768 30.071 -3.035 1.00162.98 C ATOM 446 O LYS D 51 -14.595 29.958 -2.669 1.00166.93 O ATOM 447 CB LYS D 51 -15.827 31.596 -5.004 1.00188.02 C ATOM 452 N ALA D 52 -16.632 29.049 -3.025 1.00169.76 N ATOM 453 CA ALA D 52 -16.244 27.716 -2.564 1.00184.44 C ATOM 454 C ALA D 52 -16.737 26.633 -3.520 1.00195.28 C ATOM 455 O ALA D 52 -17.701 26.825 -4.264 1.00205.95 O ATOM 456 CB ALA D 52 -16.772 27.426 -1.146 1.00197.92 C ATOM 458 N THR D 53 -16.059 25.481 -3.490 1.00192.87 N ATOM 459 CA THR D 53 -16.447 24.345 -4.318 1.00180.38 C ATOM 460 C THR D 53 -15.841 23.057 -3.771 1.00191.44 C ATOM 461 O THR D 53 -14.641 22.993 -3.477 1.00218.36 O ATOM 462 CB THR D 53 -16.029 24.543 -5.784 1.00162.57 C ATOM 465 N GLU D 54 -16.681 22.037 -3.634 1.00168.18 N ATOM 466 CA GLU D 54 -16.234 20.676 -3.362 1.00166.86 C ATOM 467 C GLU D 54 -15.471 20.088 -4.543 1.00182.14 C ATOM 468 O GLU D 54 -14.298 20.396 -4.744 1.00194.41 O ATOM 469 CB GLU D 54 -17.432 19.795 -3.023 1.00168.01 C ATOM 471 N LEU D 55 -19.942 54.503 8.037 1.00183.10 N ATOM 472 CA LEU D 55 -19.970 55.125 9.364 1.00181.68 C ATOM 473 C LEU D 55 -18.589 55.162 10.005 1.00183.22 C ATOM 474 O LEU D 55 -18.447 54.885 11.197 1.00191.90 O ATOM 475 CB LEU D 55 -20.914 54.216 10.151 1.00171.85 C ATOM 478 N LYS D 56 -17.581 55.518 9.208 1.00167.66 N ATOM 479 CA LYS D 56 -16.198 55.319 9.576 1.00150.65 C ATOM 480 C LYS D 56 -15.728 53.884 9.464 1.00146.66 C ATOM 481 O LYS D 56 -14.513 53.640 9.477 1.00128.01 O ATOM 482 N HIS D 57 -16.647 52.928 9.343 1.00141.67 N ATOM 483 CA HIS D 57 -16.308 51.521 9.335 1.00141.09 C ATOM 484 C HIS D 57 -17.090 50.860 8.208 1.00172.39 C ATOM 485 O HIS D 57 -18.075 51.406 7.698 1.00164.76 O ATOM 486 CB HIS D 57 -16.671 50.852 10.676 1.00143.21 C ATOM 492 N LEU D 58 -16.644 49.673 7.811 1.00197.50 N ATOM 493 CA LEU D 58 -17.496 48.833 6.996 1.00194.86 C ATOM 494 C LEU D 58 -18.592 48.237 7.874 1.00170.50 C ATOM 495 O LEU D 58 -18.623 48.414 9.096 1.00175.95 O ATOM 496 CB LEU D 58 -16.686 47.743 6.310 1.00213.94 C ATOM 498 N GLN D 59 -19.501 47.517 7.235 1.00157.07 N ATOM 499 CA GLN D 59 -20.646 46.922 7.896 1.00159.44 C ATOM 500 C GLN D 59 -20.659 45.432 7.584 1.00149.30 C ATOM 501 O GLN D 59 -20.005 44.975 6.642 1.00157.98 O ATOM 502 CB GLN D 59 -21.926 47.645 7.450 1.00172.50 C ATOM 509 N GLU D 64 -21.366 44.669 8.427 1.00138.56 N ATOM 510 CA GLU D 64 -21.403 43.211 8.361 1.00129.67 C ATOM 511 C GLU D 64 -21.574 42.731 6.925 1.00142.13 C ATOM 512 O GLU D 64 -22.622 42.974 6.308 1.00164.94 O ATOM 513 CB GLU D 64 -22.528 42.660 9.245 1.00152.98 C ATOM 518 N LEU D 65 -20.561 42.077 6.359 1.00147.90 N ATOM 519 CA LEU D 65 -20.652 41.667 4.963 1.00151.32 C ATOM 520 C LEU D 65 -21.819 40.717 4.760 1.00148.90 C ATOM 521 O LEU D 65 -22.196 39.956 5.666 1.00143.76 O ATOM 522 CB LEU D 65 -19.310 40.960 4.721 1.00147.71 C ATOM 525 N LYS D 66 -22.427 40.746 3.577 1.00149.07 N ATOM 526 CA LYS D 66 -23.439 39.748 3.243 1.00148.53 C ATOM 527 C LYS D 66 -22.812 38.370 3.144 1.00156.33 C ATOM 528 O LYS D 66 -21.580 38.245 3.063 1.00165.09 O ATOM 529 CB LYS D 66 -23.968 40.235 1.885 1.00156.31 C ATOM 532 N PRO D 67 -23.613 37.312 3.168 1.00148.75 N ATOM 533 CA PRO D 67 -23.057 35.960 3.187 1.00142.30 C ATOM 534 C PRO D 67 -22.702 35.475 1.786 1.00151.90 C ATOM 535 O PRO D 67 -23.017 36.108 0.776 1.00156.32 O ATOM 536 CB PRO D 67 -24.207 35.143 3.781 1.00144.34 C ATOM 539 N LEU D 68 -22.023 34.332 1.748 1.00161.16 N ATOM 540 CA LEU D 68 -21.677 33.692 0.491 1.00167.81 C ATOM 541 C LEU D 68 -22.062 32.220 0.527 1.00175.02 C ATOM 542 O LEU D 68 -22.274 31.631 1.590 1.00178.85 O ATOM 543 CB LEU D 68 -20.184 33.856 0.139 1.00160.24 C ATOM 553 N GLU D 69 -22.163 31.646 -0.673 1.00164.50 N ATOM 554 CA GLU D 69 -22.616 30.270 -0.831 1.00183.05 C ATOM 555 C GLU D 69 -21.664 29.308 -0.134 1.00179.12 C ATOM 556 O GLU D 69 -20.446 29.370 -0.329 1.00197.86 O ATOM 557 CB GLU D 69 -22.720 29.924 -2.320 1.00216.83 C ATOM 562 N ASN D 73 -22.228 28.427 0.693 1.00164.67 N ATOM 563 CA ASN D 73 -21.494 27.330 1.328 1.00165.63 C ATOM 564 C ASN D 73 -20.378 27.824 2.245 1.00165.54 C ATOM 565 O ASN D 73 -19.353 27.153 2.402 1.00171.32 O ATOM 566 CB ASN D 73 -20.923 26.367 0.284 1.00176.41 C ATOM 570 N LEU D 74 -20.554 28.988 2.871 1.00171.59 N ATOM 571 CA LEU D 74 -19.594 29.407 3.882 1.00173.09 C ATOM 572 C LEU D 74 -19.769 28.578 5.143 1.00166.07 C ATOM 573 O LEU D 74 -20.896 28.267 5.544 1.00155.72 O ATOM 574 CB LEU D 74 -19.724 30.895 4.215 1.00171.76 C ATOM 579 N ALA D 75 -18.644 28.216 5.762 1.00173.61 N ATOM 580 CA ALA D 75 -18.678 27.602 7.079 1.00181.81 C ATOM 581 C ALA D 75 -19.542 28.436 8.008 1.00162.99 C ATOM 582 O ALA D 75 -19.539 29.669 7.940 1.00161.50 O ATOM 583 CB ALA D 75 -17.264 27.473 7.648 1.00196.72 C ATOM 584 N GLN D 76 -20.309 27.748 8.854 1.00145.06 N ATOM 585 CA GLN D 76 -21.189 28.432 9.794 1.00144.09 C ATOM 586 C GLN D 76 -20.447 29.520 10.557 1.00160.56 C ATOM 587 O GLN D 76 -20.889 30.673 10.608 1.00173.58 O ATOM 588 CB GLN D 76 -21.792 27.419 10.765 1.00141.56 C ATOM 591 N SER D 77 -19.293 29.173 11.120 1.00150.59 N ATOM 592 CA SER D 77 -18.557 30.039 12.038 1.00134.71 C ATOM 593 C SER D 77 -17.765 31.066 11.236 1.00119.77 C ATOM 594 O SER D 77 -16.763 30.723 10.601 1.00126.53 O ATOM 595 CB SER D 77 -17.621 29.188 12.898 1.00168.50 C ATOM 600 N LYS D 78 -18.199 32.324 11.258 1.00115.90 N ATOM 601 CA LYS D 78 -17.397 33.385 10.663 1.00122.55 C ATOM 602 C LYS D 78 -16.089 33.548 11.437 1.00112.97 C ATOM 603 O LYS D 78 -15.968 33.159 12.603 1.00110.69 O ATOM 604 CB LYS D 78 -18.163 34.714 10.626 1.00122.18 C ATOM 611 N PHE D 79 -15.091 34.120 10.763 1.00114.05 N ATOM 612 CA PHE D 79 -13.772 34.344 11.353 1.00108.88 C ATOM 613 C PHE D 79 -13.232 35.685 10.879 1.00119.78 C ATOM 614 O PHE D 79 -13.084 35.908 9.673 1.00139.91 O ATOM 615 CB PHE D 79 -12.786 33.212 11.000 1.00108.46 C ATOM 619 N ASN D 80 -12.918 36.577 11.814 1.00110.48 N ATOM 620 CA ASN D 80 -12.389 37.893 11.493 1.00112.08 C ATOM 621 C ASN D 80 -10.996 38.045 12.096 1.00116.40 C ATOM 622 O ASN D 80 -10.529 37.206 12.870 1.00119.77 O ATOM 623 CB ASN D 80 -13.301 39.005 12.030 1.00 89.90 C ATOM 631 N HIS D 81 -10.327 39.133 11.721 1.00 97.90 N ATOM 632 CA HIS D 81 -9.161 39.641 12.437 1.00110.46 C ATOM 633 C HIS D 81 -9.280 41.153 12.490 1.00116.54 C ATOM 634 O HIS D 81 -9.722 41.778 11.525 1.00123.88 O ATOM 635 CB HIS D 81 -7.831 39.227 11.786 1.00 99.10 C ATOM 641 N LEU D 82 -8.880 41.740 13.616 1.00 95.30 N ATOM 642 CA LEU D 82 -9.292 43.094 13.951 1.00 97.63 C ATOM 643 C LEU D 82 -8.111 44.036 14.107 1.00109.93 C ATOM 644 O LEU D 82 -7.041 43.650 14.588 1.00100.89 O ATOM 645 CB LEU D 82 -10.135 43.096 15.222 1.00113.92 C ATOM 652 N LEU D 98 -8.328 45.277 13.676 1.00100.46 N ATOM 653 CA LEU D 98 -7.364 46.350 13.864 1.00111.66 C ATOM 654 C LEU D 98 -7.546 46.949 15.255 1.00119.90 C ATOM 655 O LEU D 98 -8.543 46.695 15.939 1.00127.54 O ATOM 656 CB LEU D 98 -7.524 47.413 12.763 1.00134.43 C ATOM 659 N LYS D 99 -6.563 47.750 15.687 1.00123.69 N ATOM 660 CA LYS D 99 -6.616 48.281 17.051 1.00127.82 C ATOM 661 C LYS D 99 -7.813 49.214 17.201 1.00123.64 C ATOM 662 O LYS D 99 -8.355 49.750 16.227 1.00136.17 O ATOM 663 CB LYS D 99 -5.316 48.995 17.454 1.00109.75 C ATOM 666 N GLY D 100 -8.235 49.398 18.453 1.00116.22 N ATOM 667 CA GLY D 100 -9.442 50.128 18.765 1.00119.93 C ATOM 668 C GLY D 100 -10.729 49.387 18.477 1.00106.13 C ATOM 669 O GLY D 100 -11.810 49.936 18.729 1.00103.48 O ATOM 670 N SER D 101 -10.655 48.171 17.942 1.00 99.29 N ATOM 671 CA SER D 101 -11.843 47.365 17.714 1.00111.81 C ATOM 672 C SER D 101 -12.324 46.804 19.041 1.00114.84 C ATOM 673 O SER D 101 -11.559 46.149 19.757 1.00116.52 O ATOM 674 CB SER D 101 -11.552 46.224 16.747 1.00107.92 C ATOM 679 N GLU D 102 -13.584 47.046 19.373 1.00119.89 N ATOM 680 CA GLU D 102 -14.175 46.390 20.526 1.00139.01 C ATOM 681 C GLU D 102 -14.928 45.147 20.080 1.00122.61 C ATOM 682 O GLU D 102 -15.720 45.193 19.132 1.00129.55 O ATOM 683 CB GLU D 102 -15.101 47.322 21.306 1.00149.06 C ATOM 687 N THR D 103 -14.672 44.039 20.767 1.00102.06 N ATOM 688 CA THR D 103 -15.314 42.770 20.481 1.00103.03 C ATOM 689 C THR D 103 -16.073 42.356 21.740 1.00124.03 C ATOM 690 O THR D 103 -15.501 42.310 22.841 1.00140.34 O ATOM 691 CB THR D 103 -14.288 41.722 20.007 1.00 99.91 C ATOM 694 N THR D 104 -17.375 42.117 21.579 1.00116.66 N ATOM 695 CA THR D 104 -18.314 41.898 22.674 1.00101.70 C ATOM 696 C THR D 104 -18.557 40.402 22.848 1.00117.57 C ATOM 697 O THR D 104 -18.867 39.706 21.874 1.00128.33 O ATOM 698 CB THR D 104 -19.647 42.593 22.377 1.00101.34 C ATOM 706 N PHE D 105 -18.447 39.916 24.083 1.00120.70 N ATOM 707 CA PHE D 105 -18.646 38.502 24.393 1.00120.70 C ATOM 708 C PHE D 105 -20.071 38.228 24.875 1.00117.52 C ATOM 709 O PHE D 105 -20.631 38.997 25.662 1.00124.44 O ATOM 710 CB PHE D 105 -17.651 38.029 25.458 1.00112.93 C ATOM 718 N MET D 106 -20.641 37.111 24.404 1.00121.99 N ATOM 719 CA MET D 106 -21.950 36.604 24.806 1.00141.23 C ATOM 720 C MET D 106 -21.871 35.109 25.046 1.00154.40 C ATOM 721 O MET D 106 -21.181 34.396 24.318 1.00164.19 O ATOM 722 CB MET D 106 -23.029 36.839 23.743 1.00165.06 C ATOM 727 N CYS D 107 -22.626 34.628 26.026 1.00157.15 N ATOM 728 CA CYS D 107 -22.577 33.205 26.315 1.00173.93 C ATOM 729 C CYS D 107 -23.415 32.413 25.310 1.00164.70 C ATOM 730 O CYS D 107 -24.323 32.942 24.655 1.00161.95 O ATOM 731 CB CYS D 107 -23.050 32.923 27.742 1.00192.59 C ATOM 733 N GLU D 108 -23.082 31.124 25.192 1.00157.51 N ATOM 734 CA GLU D 108 -23.779 30.187 24.317 1.00145.85 C ATOM 735 C GLU D 108 -25.205 30.004 24.823 1.00158.60 C ATOM 736 O GLU D 108 -25.561 30.492 25.904 1.00162.34 O ATOM 737 CB GLU D 108 -23.009 28.847 24.259 1.00145.08 C ATOM 740 N TYR D 109 -26.043 29.343 24.029 1.00171.78 N ATOM 741 CA TYR D 109 -27.319 28.875 24.537 1.00186.11 C ATOM 742 C TYR D 109 -27.095 27.774 25.568 1.00195.69 C ATOM 743 O TYR D 109 -26.051 27.111 25.593 1.00192.67 O ATOM 744 CB TYR D 109 -28.194 28.363 23.397 1.00195.37 C ATOM 821 N ALA D 110 -17.448 42.413 30.130 1.00135.87 N ATOM 822 CA ALA D 110 -17.626 41.384 29.107 1.00134.19 C ATOM 823 C ALA D 110 -17.313 41.916 27.713 1.00115.36 C ATOM 824 O ALA D 110 -18.126 41.794 26.800 1.00104.73 O ATOM 825 CB ALA D 110 -19.042 40.827 29.172 1.00145.22 C ATOM 826 N ASP D 111 -16.153 42.548 27.532 1.00111.67 N ATOM 827 CA ASP D 111 -15.705 42.936 26.199 1.00108.83 C ATOM 828 C ASP D 111 -14.181 42.979 26.190 1.00123.70 C ATOM 829 O ASP D 111 -13.536 43.005 27.243 1.00142.39 O ATOM 830 CB ASP D 111 -16.237 44.310 25.743 1.00103.45 C ATOM 835 N GLU D 112 -13.607 43.007 24.987 1.00115.33 N ATOM 836 CA GLU D 112 -12.162 43.128 24.828 1.00104.19 C ATOM 837 C GLU D 112 -11.840 44.115 23.712 1.00114.16 C ATOM 838 O GLU D 112 -12.666 44.397 22.840 1.00121.78 O ATOM 839 CB GLU D 112 -11.508 41.773 24.536 1.00 99.46 C ATOM 841 N THR D 113 -10.616 44.643 23.752 1.00108.57 N ATOM 842 CA THR D 113 -10.195 45.725 22.867 1.00106.05 C ATOM 843 C THR D 113 -8.774 45.470 22.388 1.00134.98 C ATOM 844 O THR D 113 -7.867 45.262 23.205 1.00135.46 O ATOM 845 CB THR D 113 -10.270 47.100 23.552 1.00103.44 C ATOM 848 N ALA D 114 -8.584 45.491 21.066 1.00156.63 N ATOM 849 CA ALA D 114 -7.263 45.489 20.454 1.00169.03 C ATOM 850 C ALA D 114 -6.505 46.770 20.790 1.00149.77 C ATOM 851 O ALA D 114 -6.821 47.841 20.268 1.00158.55 O ATOM 852 CB ALA D 114 -7.397 45.333 18.939 1.00202.86 C ATOM 854 N THR D 115 -5.498 46.662 21.651 1.00139.21 N ATOM 855 CA THR D 115 -4.709 47.784 22.134 1.00136.42 C ATOM 856 C THR D 115 -3.241 47.557 21.817 1.00144.50 C ATOM 857 O THR D 115 -2.774 46.422 21.821 1.00155.33 O ATOM 858 CB THR D 115 -4.948 47.963 23.635 1.00134.08 C ATOM 863 N ILE D 116 -2.519 48.636 21.507 1.00139.32 N ATOM 864 CA ILE D 116 -1.085 48.537 21.282 1.00153.83 C ATOM 865 C ILE D 116 -0.366 49.359 22.340 1.00178.33 C ATOM 866 O ILE D 116 -0.670 50.542 22.529 1.00188.12 O ATOM 867 CB ILE D 116 -0.672 49.001 19.876 1.00175.21 C ATOM 871 N VAL D 117 0.574 48.722 23.036 1.00187.49 N ATOM 872 CA VAL D 117 1.326 49.339 24.123 1.00188.36 C ATOM 873 C VAL D 117 2.818 49.247 23.803 1.00186.83 C ATOM 874 O VAL D 117 3.376 48.146 23.724 1.00185.81 O ATOM 875 CB VAL D 117 1.018 48.659 25.460 1.00172.39 C ATOM 878 N GLU D 118 3.455 50.404 23.604 1.00186.72 N ATOM 879 CA GLU D 118 4.871 50.493 23.220 1.00192.03 C ATOM 880 C GLU D 118 5.216 49.582 22.036 1.00182.16 C ATOM 881 O GLU D 118 6.305 49.011 21.978 1.00181.95 O ATOM 882 CB GLU D 118 5.788 50.208 24.412 1.00207.07 C ATOM 888 N PHE D 119 4.283 49.440 21.092 1.00184.40 N ATOM 889 CA PHE D 119 4.519 48.674 19.885 1.00186.37 C ATOM 890 C PHE D 119 4.067 47.227 19.898 1.00193.90 C ATOM 891 O PHE D 119 4.476 46.469 19.011 1.00194.82 O ATOM 892 N LEU D 120 3.224 46.827 20.851 1.00206.22 N ATOM 893 CA LEU D 120 2.862 45.434 21.089 1.00195.97 C ATOM 894 C LEU D 120 1.347 45.330 21.109 1.00193.32 C ATOM 895 O LEU D 120 0.705 45.995 21.924 1.00208.64 O ATOM 896 CB LEU D 120 3.415 44.987 22.441 1.00202.66 C ATOM 901 N ASN D 121 0.776 44.488 20.251 1.00175.22 N ATOM 902 CA ASN D 121 -0.671 44.323 20.222 1.00156.49 C ATOM 903 C ASN D 121 -1.124 43.305 21.261 1.00152.66 C ATOM 904 O ASN D 121 -0.498 42.261 21.450 1.00156.95 O ATOM 905 CB ASN D 121 -1.163 43.905 18.835 1.00140.95 C ATOM 908 N ARG D 122 -2.219 43.634 21.943 1.00149.25 N ATOM 909 CA ARG D 122 -2.721 42.917 23.108 1.00137.81 C ATOM 910 C ARG D 122 -4.238 43.067 23.120 1.00126.87 C ATOM 911 O ARG D 122 -4.795 44.003 22.539 1.00144.97 O ATOM 912 CB ARG D 122 -2.145 43.466 24.431 1.00149.19 C ATOM 919 N TRP D 123 -4.912 42.128 23.768 1.00111.81 N ATOM 920 CA TRP D 123 -6.353 42.210 23.973 1.00113.47 C ATOM 921 C TRP D 123 -6.619 42.303 25.467 1.00129.42 C ATOM 922 O TRP D 123 -6.175 41.438 26.232 1.00130.32 O ATOM 923 CB TRP D 123 -7.067 41.001 23.369 1.00114.54 C ATOM 933 N ILE D 124 -7.314 43.362 25.883 1.00119.71 N ATOM 934 CA ILE D 124 -7.726 43.482 27.275 1.00119.78 C ATOM 935 C ILE D 124 -8.487 42.237 27.692 1.00135.38 C ATOM 936 O ILE D 124 -9.443 41.832 27.025 1.00141.27 O ATOM 937 CB ILE D 124 -8.611 44.713 27.482 1.00118.45 C ATOM 940 N THR D 125 -8.066 41.639 28.794 1.00143.79 N ATOM 941 CA THR D 125 -8.696 40.411 29.240 1.00141.40 C ATOM 942 C THR D 125 -10.132 40.671 29.683 1.00127.24 C ATOM 943 O THR D 125 -10.352 41.428 30.644 1.00140.95 O ATOM 944 CB THR D 125 -7.906 39.774 30.381 1.00171.64 C ATOM 949 N GLN D 128 -11.124 40.088 29.021 1.00122.03 N ATOM 950 CA GLN D 128 -12.495 40.164 29.526 1.00119.99 C ATOM 951 C GLN D 128 -12.673 39.257 30.732 1.00125.58 C ATOM 952 O GLN D 128 -11.911 38.317 30.959 1.00138.20 O ATOM 953 CB GLN D 128 -13.333 39.675 28.343 1.00121.45 C ATOM 956 N SER D 129 -13.711 39.552 31.506 1.00122.98 N ATOM 957 CA SER D 129 -13.976 38.850 32.758 1.00130.01 C ATOM 958 C SER D 129 -15.406 38.317 32.699 1.00144.71 C ATOM 959 O SER D 129 -16.357 39.043 33.005 1.00147.82 O ATOM 960 CB SER D 129 -13.777 39.781 33.951 1.00136.01 C ATOM 965 N ILE D 130 -15.559 37.056 32.302 1.00141.73 N ATOM 966 CA ILE D 130 -16.880 36.452 32.186 1.00143.43 C ATOM 967 C ILE D 130 -16.742 34.937 32.157 1.00141.26 C ATOM 968 O ILE D 130 -15.711 34.400 31.746 1.00117.62 O ATOM 969 CB ILE D 130 -17.617 36.959 30.936 1.00144.23 C ATOM 973 N ILE D 131 -17.801 34.262 32.602 1.00154.00 N ATOM 974 CA ILE D 131 -17.885 32.807 32.547 1.00169.75 C ATOM 975 C ILE D 131 -19.361 32.441 32.606 1.00176.75 C ATOM 976 O ILE D 131 -20.185 33.212 33.108 1.00168.89 O ATOM 977 CB ILE D 131 -17.066 32.159 33.693 1.00175.83 C ATOM 981 N SER D 132 -19.701 31.267 32.075 1.00170.77 N ATOM 982 CA SER D 132 -21.092 30.891 31.860 1.00175.22 C ATOM 983 C SER D 132 -21.410 29.557 32.522 1.00170.88 C ATOM 984 O SER D 132 -20.722 28.560 32.280 1.00163.92 O ATOM 985 CB SER D 132 -21.407 30.807 30.364 1.00182.25 C ATOM 987 N THR D 133 -22.467 29.541 33.339 1.00174.02 N ATOM 988 CA THR D 133 -23.042 28.330 33.909 1.00196.39 C ATOM 989 C THR D 133 -24.279 27.932 33.114 1.00207.36 C ATOM 990 O THR D 133 -24.774 28.694 32.287 1.00220.14 O ATOM 991 CB THR D 133 -23.414 28.535 35.376 1.00214.64 C ATOM 994 N HIS D 146 -24.813 26.747 33.397 1.00203.29 N ATOM 995 CA HIS D 146 -25.954 26.252 32.648 1.00194.18 C ATOM 996 C HIS D 146 -27.162 25.812 33.453 1.00184.70 C ATOM 997 O HIS D 146 -27.891 24.915 33.029 1.00177.24 O TER END

Sequence

GSAPTSSSTKKTQLQLEHLLLDLQMILNGINNYKNPKLHLMLSYGFYMPKKATELKHLQCLEEELKPLEEVLNLAQSKFNHLRPRDLISNINVIVLELKGSETTFMCEYADETATIVEFLNRWITFCQSIISTLTAAAHHHHHHHH

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