User input for job 637274

Modeling method CM only

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

Partial threads

wt: 1 >query MASLAEQPFSLFPQQQDEYTHFAEPPHVSVYSSAPMDLSIPADAYSSYVQRAPSQELYTSPSTISYESSLYTADAAFMNGPTSPGYGDEYLPSSSLSSASAQSAPSSAVGSPLSNHGQIGMATDCFVPGLGIQPGIANADFVDFPFGAQGLDDMAFEFANMVHPKSFVDPSLIHPEISRPPMAISSYETHHYQPAAPHYPASPSAISSSSPQPHMIRTSSSSPYLQNGPFQPATTAYSNSPYATSTAMAPGAGIGARRMSMGKTGGSSFISPVSADYPSGDEIKEKHMCTYPECGKTF---KDLKAHMLTHQTERPEKCPIMTCEYHVKGFARKYDKNRHTLTHYKGTMVCGFCPGSGSAAEKSFNRADVFKRHLTAVHGVEQTPPNSRRRASGAVAPKTLAGYAPDATGKCSTCSQTFTNAQDFYEHLDDCVLRIVQQEDPAEAINAKRLAEVADDKDVQQTLEKNNLPATTETSMAEDEDEDEDMEEDETDDVSKLTYSPMKKKNNNLNRVSKSRGITHSRGGVQLSAKSRGRNKRRDYPSSWGFNKGQMTMKKRVVAVFDGPRRLAKDDMMLSTDHEVRIKLSDGKSYVTDLDVQTLKRAEGFHNASESEKGPWLSDDPTEEQVKEMQRLLDTGASEL >6VTX ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HTCDYAGCGKTYTKSSHLKAHLRTHTGEKPYHCDWDGCGWK---FARSDELTRH------------------------------YRKH---------------------------TGHRPF---QCQKCDRAFSRS----DHL---------------ALHMKR----------------------------------------------------------------------H------------------------------------------------------------------------------------------------------------------------ ATOM 1 N HIS A 287 32.739 3.952 18.087 1.00 58.44 N ATOM 2 CA HIS A 287 32.009 4.362 16.894 1.00 77.70 C ATOM 3 C HIS A 287 30.772 5.171 17.268 1.00 68.13 C ATOM 4 O HIS A 287 29.738 4.613 17.638 1.00 63.07 O ATOM 5 CB HIS A 287 31.615 3.140 16.062 1.00 74.13 C ATOM 11 N MET A 288 30.886 6.490 17.169 1.00 51.75 N ATOM 12 CA MET A 288 29.813 7.402 17.528 1.00 58.31 C ATOM 13 C MET A 288 29.227 8.043 16.277 1.00 59.43 C ATOM 14 O MET A 288 29.918 8.229 15.270 1.00 53.50 O ATOM 15 CB MET A 288 30.313 8.493 18.479 1.00 51.66 C ATOM 18 N CYS A 289 27.942 8.377 16.351 1.00 55.38 N ATOM 19 CA CYS A 289 27.250 9.056 15.264 1.00 54.62 C ATOM 20 C CYS A 289 27.354 10.561 15.476 1.00 62.67 C ATOM 21 O CYS A 289 26.876 11.085 16.488 1.00 60.80 O ATOM 22 CB CYS A 289 25.788 8.619 15.195 1.00 49.11 C ATOM 24 N THR A 290 27.978 11.253 14.523 1.00 53.71 N ATOM 25 CA THR A 290 28.205 12.690 14.613 1.00 50.40 C ATOM 26 C THR A 290 27.180 13.492 13.818 1.00 46.63 C ATOM 27 O THR A 290 27.492 14.579 13.320 1.00 46.56 O ATOM 28 CB THR A 290 29.622 13.028 14.151 1.00 53.49 C ATOM 32 N TYR A 291 25.958 12.980 13.693 1.00 45.25 N ATOM 33 CA TYR A 291 24.887 13.675 12.986 1.00 55.80 C ATOM 34 C TYR A 291 24.085 14.493 13.993 1.00 57.06 C ATOM 35 O TYR A 291 23.348 13.930 14.811 1.00 61.74 O ATOM 36 CB TYR A 291 23.988 12.683 12.253 1.00 47.75 C ATOM 44 N PRO A 292 24.220 15.819 13.923 1.00 54.76 N ATOM 45 CA PRO A 292 23.494 16.739 14.793 1.00 55.70 C ATOM 46 C PRO A 292 23.688 16.393 16.264 1.00 63.28 C ATOM 47 O PRO A 292 24.803 16.085 16.695 1.00 73.96 O ATOM 48 CB PRO A 292 22.004 16.748 14.441 1.00 55.96 C ATOM 49 N GLU A 293 22.608 16.440 17.040 1.00 61.41 N ATOM 50 CA GLU A 293 22.676 16.107 18.449 1.00 73.03 C ATOM 51 C GLU A 293 22.271 14.676 18.732 1.00 80.20 C ATOM 52 O GLU A 293 21.295 14.429 19.448 1.00 75.15 O ATOM 53 N CYS A 294 23.015 13.722 18.174 1.00 62.84 N ATOM 54 CA CYS A 294 22.700 12.310 18.350 1.00 60.09 C ATOM 55 C CYS A 294 23.632 11.669 19.370 1.00 59.47 C ATOM 56 O CYS A 294 23.271 11.520 20.542 1.00 72.09 O ATOM 57 CB CYS A 294 22.784 11.576 17.010 1.00 60.84 C ATOM 59 N GLY A 295 24.830 11.288 18.935 1.00 69.04 N ATOM 60 CA GLY A 295 25.789 10.673 19.831 1.00 62.09 C ATOM 61 C GLY A 295 25.573 9.201 20.088 1.00 60.61 C ATOM 62 O GLY A 295 26.102 8.673 21.071 1.00 66.48 O ATOM 63 N LYS A 296 24.813 8.519 19.235 1.00 54.24 N ATOM 64 CA LYS A 296 24.572 7.096 19.422 1.00 53.47 C ATOM 65 C LYS A 296 25.843 6.302 19.148 1.00 59.77 C ATOM 66 O LYS A 296 26.594 6.601 18.216 1.00 61.59 O ATOM 67 CB LYS A 296 23.443 6.625 18.506 1.00 58.31 C ATOM 72 N THR A 297 26.084 5.286 19.971 1.00 55.02 N ATOM 73 CA THR A 297 27.293 4.481 19.891 1.00 56.23 C ATOM 74 C THR A 297 26.978 3.091 19.353 1.00 57.50 C ATOM 75 O THR A 297 25.909 2.531 19.611 1.00 55.92 O ATOM 76 CB THR A 297 27.965 4.358 21.261 1.00 59.25 C ATOM 79 N PHE A 298 27.928 2.541 18.600 1.00 53.56 N ATOM 80 CA PHE A 298 27.828 1.191 18.070 1.00 59.42 C ATOM 81 C PHE A 298 29.168 0.491 18.243 1.00 70.22 C ATOM 82 O PHE A 298 30.216 1.132 18.362 1.00 65.46 O ATOM 83 CB PHE A 298 27.418 1.185 16.590 1.00 51.70 C ATOM 109 N LYS A 299 29.506 -1.650 10.503 1.00 68.93 N ATOM 110 CA LYS A 299 28.380 -1.853 9.599 1.00 74.88 C ATOM 111 C LYS A 299 27.068 -1.379 10.209 1.00 67.33 C ATOM 112 O LYS A 299 26.189 -0.895 9.487 1.00 67.60 O ATOM 113 CB LYS A 299 28.283 -3.329 9.213 1.00 84.67 C ATOM 115 N ASP A 300 26.916 -1.503 11.529 1.00 55.83 N ATOM 116 CA ASP A 300 25.676 -1.068 12.163 1.00 59.07 C ATOM 117 C ASP A 300 25.585 0.451 12.243 1.00 54.69 C ATOM 118 O ASP A 300 24.488 1.009 12.133 1.00 47.77 O ATOM 119 CB ASP A 300 25.552 -1.688 13.553 1.00 56.61 C ATOM 125 N LEU A 301 26.715 1.137 12.434 1.00 47.61 N ATOM 126 CA LEU A 301 26.689 2.596 12.430 1.00 43.03 C ATOM 127 C LEU A 301 26.435 3.131 11.025 1.00 40.10 C ATOM 128 O LEU A 301 25.671 4.087 10.846 1.00 41.65 O ATOM 129 CB LEU A 301 28.001 3.148 12.990 1.00 44.74 C ATOM 133 N LYS A 302 27.066 2.522 10.016 1.00 42.54 N ATOM 134 CA LYS A 302 26.847 2.944 8.636 1.00 44.91 C ATOM 135 C LYS A 302 25.385 2.789 8.241 1.00 42.49 C ATOM 136 O LYS A 302 24.821 3.658 7.565 1.00 44.78 O ATOM 137 CB LYS A 302 27.745 2.144 7.690 1.00 57.25 C ATOM 142 N ALA A 303 24.752 1.688 8.655 1.00 43.58 N ATOM 143 CA ALA A 303 23.324 1.525 8.408 1.00 42.97 C ATOM 144 C ALA A 303 22.499 2.488 9.250 1.00 49.50 C ATOM 145 O ALA A 303 21.416 2.909 8.828 1.00 40.92 O ATOM 146 CB ALA A 303 22.903 0.082 8.683 1.00 42.52 C ATOM 147 N HIS A 304 22.992 2.850 10.437 1.00 39.30 N ATOM 148 CA HIS A 304 22.275 3.807 11.272 1.00 43.74 C ATOM 149 C HIS A 304 22.319 5.206 10.672 1.00 37.68 C ATOM 150 O HIS A 304 21.339 5.954 10.757 1.00 47.35 O ATOM 151 CB HIS A 304 22.855 3.815 12.685 1.00 46.44 C ATOM 157 N MET A 305 23.448 5.577 10.064 1.00 41.39 N ATOM 158 CA MET A 305 23.560 6.891 9.442 1.00 39.33 C ATOM 159 C MET A 305 22.592 7.062 8.281 1.00 45.91 C ATOM 160 O MET A 305 22.277 8.198 7.912 1.00 46.68 O ATOM 161 CB MET A 305 24.993 7.127 8.963 1.00 40.45 C ATOM 165 N LEU A 306 22.112 5.960 7.697 1.00 43.59 N ATOM 166 CA LEU A 306 21.137 6.053 6.619 1.00 46.83 C ATOM 167 C LEU A 306 19.783 6.551 7.106 1.00 44.58 C ATOM 168 O LEU A 306 19.009 7.084 6.303 1.00 45.98 O ATOM 169 CB LEU A 306 20.981 4.695 5.934 1.00 43.58 C ATOM 176 N THR A 307 19.477 6.391 8.396 1.00 42.30 N ATOM 177 CA THR A 307 18.240 6.943 8.936 1.00 42.09 C ATOM 178 C THR A 307 18.286 8.461 9.031 1.00 40.76 C ATOM 179 O THR A 307 17.233 9.095 9.154 1.00 55.87 O ATOM 180 CB THR A 307 17.943 6.349 10.314 1.00 51.23 C ATOM 183 N HIS A 308 19.478 9.054 8.982 1.00 46.40 N ATOM 184 CA HIS A 308 19.646 10.501 8.979 1.00 45.95 C ATOM 185 C HIS A 308 19.784 11.077 7.577 1.00 44.09 C ATOM 186 O HIS A 308 19.165 12.100 7.270 1.00 48.24 O ATOM 187 CB HIS A 308 20.873 10.894 9.809 1.00 46.16 C ATOM 193 N GLN A 309 20.583 10.441 6.719 1.00 45.97 N ATOM 194 CA GLN A 309 20.778 10.932 5.361 1.00 48.78 C ATOM 195 C GLN A 309 19.656 10.519 4.418 1.00 37.88 C ATOM 196 O GLN A 309 19.501 11.133 3.357 1.00 35.60 O ATOM 197 CB GLN A 309 22.116 10.435 4.807 1.00 37.39 C ATOM 200 N THR A 310 18.877 9.501 4.776 1.00 29.99 N ATOM 201 CA THR A 310 17.788 9.049 3.936 1.00 43.96 C ATOM 202 C THR A 310 18.197 8.232 2.733 1.00 44.73 C ATOM 203 O THR A 310 17.354 7.974 1.866 1.00 43.36 O ATOM 204 N GLU A 311 19.457 7.812 2.651 1.00 37.06 N ATOM 205 CA GLU A 311 19.923 7.054 1.498 1.00 40.02 C ATOM 206 C GLU A 311 19.363 5.638 1.527 1.00 26.01 C ATOM 207 O GLU A 311 19.418 4.956 2.555 1.00 36.38 O ATOM 208 CB GLU A 311 21.450 7.020 1.469 1.00 42.53 C ATOM 209 N ARG A 312 18.823 5.196 0.390 1.00 34.84 N ATOM 210 CA ARG A 312 18.278 3.849 0.222 1.00 31.50 C ATOM 211 C ARG A 312 19.053 3.167 -0.897 1.00 36.06 C ATOM 212 O ARG A 312 18.630 3.192 -2.064 1.00 27.58 O ATOM 213 CB ARG A 312 16.782 3.894 -0.083 1.00 34.77 C ATOM 218 N PRO A 313 20.192 2.539 -0.590 1.00 34.00 N ATOM 219 CA PRO A 313 21.064 2.034 -1.661 1.00 35.99 C ATOM 220 C PRO A 313 20.608 0.726 -2.284 1.00 38.36 C ATOM 221 O PRO A 313 21.086 0.386 -3.374 1.00 38.13 O ATOM 222 CB PRO A 313 22.423 1.853 -0.958 1.00 41.72 C ATOM 225 N GLU A 314 19.711 -0.016 -1.642 1.00 29.83 N ATOM 226 CA GLU A 314 19.311 -1.342 -2.109 1.00 35.02 C ATOM 227 C GLU A 314 18.003 -1.216 -2.882 1.00 40.25 C ATOM 228 O GLU A 314 16.925 -1.110 -2.293 1.00 33.49 O ATOM 229 CB GLU A 314 19.189 -2.306 -0.934 1.00 28.19 C ATOM 237 N LYS A 315 18.107 -1.231 -4.207 1.00 31.15 N ATOM 238 CA LYS A 315 16.962 -1.123 -5.097 1.00 29.65 C ATOM 239 C LYS A 315 16.487 -2.507 -5.521 1.00 34.73 C ATOM 240 O LYS A 315 17.282 -3.436 -5.682 1.00 37.47 O ATOM 241 CB LYS A 315 17.311 -0.300 -6.339 1.00 39.79 C ATOM 247 N CYS A 316 15.176 -2.634 -5.704 1.00 28.34 N ATOM 248 CA CYS A 316 14.587 -3.866 -6.208 1.00 31.11 C ATOM 249 C CYS A 316 14.586 -3.832 -7.730 1.00 28.98 C ATOM 250 O CYS A 316 14.072 -2.885 -8.334 1.00 33.44 O ATOM 251 CB CYS A 316 13.166 -4.050 -5.674 1.00 26.23 C ATOM 253 N PRO A 317 15.165 -4.860 -8.345 1.00 35.72 N ATOM 254 CA PRO A 317 15.316 -4.917 -9.792 1.00 35.05 C ATOM 255 C PRO A 317 14.155 -5.620 -10.485 1.00 39.37 C ATOM 256 O PRO A 317 14.256 -5.921 -11.679 1.00 39.99 O ATOM 257 CB PRO A 317 16.633 -5.607 -10.155 1.00 40.39 C ATOM 261 N ILE A 318 13.065 -5.889 -9.771 1.00 35.61 N ATOM 262 CA ILE A 318 11.893 -6.483 -10.397 1.00 35.05 C ATOM 263 C ILE A 318 11.265 -5.500 -11.376 1.00 42.08 C ATOM 264 O ILE A 318 11.245 -4.289 -11.138 1.00 41.04 O ATOM 265 CB ILE A 318 10.872 -6.898 -9.338 1.00 30.79 C ATOM 275 N MET A 319 10.752 -6.028 -12.483 1.00 41.34 N ATOM 276 CA MET A 319 10.210 -5.188 -13.543 1.00 46.40 C ATOM 277 C MET A 319 8.953 -4.473 -13.061 1.00 53.18 C ATOM 278 O MET A 319 7.946 -5.115 -12.742 1.00 51.20 O ATOM 279 CB MET A 319 9.909 -6.029 -14.780 1.00 63.34 C ATOM 283 N THR A 320 9.014 -3.145 -13.006 1.00 47.67 N ATOM 284 CA THR A 320 7.866 -2.336 -12.655 1.00 51.68 C ATOM 285 C THR A 320 7.647 -2.111 -11.177 1.00 51.48 C ATOM 286 O THR A 320 6.593 -1.585 -10.801 1.00 50.35 O ATOM 287 N CYS A 321 8.601 -2.484 -10.326 1.00 38.99 N ATOM 288 CA CYS A 321 8.427 -2.309 -8.889 1.00 34.32 C ATOM 289 C CYS A 321 8.805 -0.896 -8.464 1.00 38.48 C ATOM 290 O CYS A 321 7.933 -0.035 -8.307 1.00 63.20 O ATOM 291 CB CYS A 321 9.254 -3.336 -8.116 1.00 30.66 C ATOM 293 N GLU A 322 10.099 -0.647 -8.269 1.00 36.87 N ATOM 294 CA GLU A 322 10.583 0.671 -7.915 1.00 46.06 C ATOM 295 C GLU A 322 10.884 0.885 -6.447 1.00 41.49 C ATOM 296 O GLU A 322 11.243 2.006 -6.067 1.00 52.69 O ATOM 297 N TYR A 323 10.754 -0.142 -5.614 1.00 35.17 N ATOM 298 CA TYR A 323 11.023 0.003 -4.193 1.00 37.74 C ATOM 299 C TYR A 323 12.523 0.066 -3.930 1.00 35.88 C ATOM 300 O TYR A 323 13.323 -0.581 -4.612 1.00 31.30 O ATOM 301 CB TYR A 323 10.407 -1.154 -3.408 1.00 32.82 C ATOM 311 N HIS A 324 12.898 0.861 -2.930 1.00 32.49 N ATOM 312 CA HIS A 324 14.282 0.988 -2.498 1.00 29.85 C ATOM 313 C HIS A 324 14.325 0.960 -0.978 1.00 31.19 C ATOM 314 O HIS A 324 13.408 1.443 -0.309 1.00 33.84 O ATOM 315 CB HIS A 324 14.926 2.278 -3.026 1.00 33.24 C ATOM 320 N PHE A 328 15.400 0.392 -0.435 1.00 26.54 N ATOM 321 CA PHE A 328 15.513 0.168 0.997 1.00 29.20 C ATOM 322 C PHE A 328 16.875 0.626 1.498 1.00 30.94 C ATOM 323 O PHE A 328 17.854 0.680 0.749 1.00 31.31 O ATOM 324 CB PHE A 328 15.294 -1.311 1.344 1.00 25.94 C ATOM 331 N ALA A 329 16.924 0.949 2.791 1.00 25.90 N ATOM 332 CA ALA A 329 18.159 1.378 3.431 1.00 35.36 C ATOM 333 C ALA A 329 18.997 0.218 3.950 1.00 40.32 C ATOM 334 O ALA A 329 20.211 0.379 4.122 1.00 36.30 O ATOM 335 CB ALA A 329 17.851 2.334 4.588 1.00 41.54 C ATOM 336 N ARG A 330 18.387 -0.936 4.205 1.00 30.79 N ATOM 337 CA ARG A 330 19.095 -2.112 4.689 1.00 36.04 C ATOM 338 C ARG A 330 18.935 -3.252 3.694 1.00 40.40 C ATOM 339 O ARG A 330 17.870 -3.417 3.090 1.00 34.79 O ATOM 340 CB ARG A 330 18.583 -2.543 6.070 1.00 33.53 C ATOM 347 N LYS A 331 20.002 -4.038 3.529 1.00 33.68 N ATOM 348 CA LYS A 331 19.972 -5.135 2.568 1.00 35.60 C ATOM 349 C LYS A 331 18.975 -6.215 2.971 1.00 30.75 C ATOM 350 O LYS A 331 18.365 -6.846 2.100 1.00 30.91 O ATOM 351 CB LYS A 331 21.370 -5.733 2.411 1.00 44.95 C ATOM 353 N TYR A 332 18.792 -6.440 4.275 1.00 36.11 N ATOM 354 CA TYR A 332 17.842 -7.454 4.721 1.00 27.71 C ATOM 355 C TYR A 332 16.404 -7.060 4.405 1.00 31.27 C ATOM 356 O TYR A 332 15.542 -7.936 4.267 1.00 28.17 O ATOM 357 CB TYR A 332 18.009 -7.713 6.219 1.00 38.83 C ATOM 361 N ASP A 333 16.123 -5.759 4.290 1.00 28.23 N ATOM 362 CA ASP A 333 14.794 -5.332 3.862 1.00 26.24 C ATOM 363 C ASP A 333 14.526 -5.744 2.421 1.00 21.23 C ATOM 364 O ASP A 333 13.418 -6.182 2.090 1.00 24.83 O ATOM 365 CB ASP A 333 14.644 -3.819 4.018 1.00 32.19 C ATOM 370 N LYS A 334 15.530 -5.610 1.550 1.00 21.28 N ATOM 371 CA LYS A 334 15.359 -6.013 0.158 1.00 20.11 C ATOM 372 C LYS A 334 15.218 -7.524 0.034 1.00 25.80 C ATOM 373 O LYS A 334 14.383 -8.013 -0.737 1.00 18.25 O ATOM 374 CB LYS A 334 16.535 -5.511 -0.679 1.00 23.20 C ATOM 378 N ASN A 335 16.027 -8.280 0.782 1.00 25.50 N ATOM 379 CA ASN A 335 15.914 -9.735 0.765 1.00 22.08 C ATOM 380 C ASN A 335 14.526 -10.181 1.207 1.00 20.60 C ATOM 381 O ASN A 335 13.918 -11.059 0.583 1.00 21.09 O ATOM 382 CB ASN A 335 16.990 -10.357 1.659 1.00 27.27 C ATOM 385 N ARG A 336 14.006 -9.579 2.279 1.00 31.91 N ATOM 386 CA ARG A 336 12.648 -9.882 2.717 1.00 21.70 C ATOM 387 C ARG A 336 11.625 -9.462 1.670 1.00 23.32 C ATOM 388 O ARG A 336 10.635 -10.166 1.440 1.00 28.96 O ATOM 389 CB ARG A 336 12.368 -9.188 4.050 1.00 24.74 C ATOM 396 N HIS A 337 11.852 -8.319 1.020 1.00 25.77 N ATOM 397 CA HIS A 337 10.904 -7.826 0.026 1.00 22.95 C ATOM 398 C HIS A 337 10.894 -8.693 -1.227 1.00 28.65 C ATOM 399 O HIS A 337 9.857 -8.807 -1.890 1.00 22.12 O ATOM 400 CB HIS A 337 11.235 -6.377 -0.331 1.00 22.08 C ATOM 406 N PHE A 368 12.029 -9.314 -1.563 1.00 20.38 N ATOM 407 CA PHE A 368 12.094 -10.141 -2.765 1.00 26.37 C ATOM 408 C PHE A 368 11.189 -11.361 -2.662 1.00 30.18 C ATOM 409 O PHE A 368 10.721 -11.872 -3.686 1.00 24.23 O ATOM 410 CB PHE A 368 13.536 -10.575 -3.027 1.00 20.71 C ATOM 418 N LYS A 369 10.932 -11.843 -1.443 1.00 26.82 N ATOM 419 CA LYS A 369 10.087 -13.022 -1.277 1.00 29.95 C ATOM 420 C LYS A 369 8.659 -12.764 -1.741 1.00 29.27 C ATOM 421 O LYS A 369 7.954 -13.704 -2.124 1.00 30.17 O ATOM 422 CB LYS A 369 10.102 -13.476 0.183 1.00 32.60 C ATOM 429 N ARG A 370 8.215 -11.504 -1.711 1.00 26.99 N ATOM 430 CA ARG A 370 6.900 -11.175 -2.250 1.00 31.05 C ATOM 431 C ARG A 370 6.860 -11.338 -3.763 1.00 35.51 C ATOM 432 O ARG A 370 5.802 -11.639 -4.325 1.00 40.26 O ATOM 433 CB ARG A 370 6.510 -9.751 -1.856 1.00 34.76 C ATOM 434 N HIS A 371 7.995 -11.140 -4.437 1.00 40.43 N ATOM 435 CA HIS A 371 8.046 -11.325 -5.883 1.00 35.67 C ATOM 436 C HIS A 371 8.255 -12.789 -6.251 1.00 38.21 C ATOM 437 O HIS A 371 7.636 -13.288 -7.197 1.00 39.40 O ATOM 438 CB HIS A 371 9.157 -10.466 -6.488 1.00 31.89 C ATOM 444 N ALA A 399 9.122 -13.489 -5.517 1.00 31.39 N ATOM 445 CA ALA A 399 9.426 -14.879 -5.829 1.00 37.23 C ATOM 446 C ALA A 399 8.388 -15.848 -5.283 1.00 35.67 C ATOM 447 O ALA A 399 8.281 -16.969 -5.792 1.00 39.41 O ATOM 448 CB ALA A 399 10.804 -15.259 -5.279 1.00 40.32 C ATOM 451 N GLY A 400 7.628 -15.450 -4.266 1.00 34.95 N ATOM 452 CA GLY A 400 6.666 -16.347 -3.661 1.00 41.05 C ATOM 453 C GLY A 400 7.257 -17.361 -2.712 1.00 47.08 C ATOM 454 O GLY A 400 6.601 -18.362 -2.405 1.00 44.21 O ATOM 455 N TYR A 401 8.479 -17.136 -2.234 1.00 35.86 N ATOM 456 CA TYR A 401 9.123 -18.076 -1.325 1.00 42.25 C ATOM 457 C TYR A 401 8.475 -17.993 0.051 1.00 36.67 C ATOM 458 O TYR A 401 8.444 -16.922 0.667 1.00 37.96 O ATOM 459 CB TYR A 401 10.618 -17.782 -1.236 1.00 47.83 C ATOM 465 N ALA A 402 7.954 -19.121 0.532 1.00 43.59 N ATOM 466 CA ALA A 402 7.298 -19.209 1.837 1.00 38.73 C ATOM 467 C ALA A 402 7.966 -20.320 2.636 1.00 36.07 C ATOM 468 O ALA A 402 7.458 -21.447 2.702 1.00 34.88 O ATOM 469 CB ALA A 402 5.796 -19.454 1.686 1.00 36.83 C ATOM 476 N PRO A 403 9.110 -20.034 3.265 1.00 44.87 N ATOM 477 CA PRO A 403 9.838 -21.095 3.980 1.00 42.62 C ATOM 478 C PRO A 403 9.202 -21.490 5.301 1.00 37.68 C ATOM 479 O PRO A 403 9.424 -22.618 5.759 1.00 45.00 O ATOM 480 CB PRO A 403 11.235 -20.487 4.198 1.00 35.90 C ATOM 483 N ASP A 404 8.428 -20.608 5.928 1.00 33.72 N ATOM 484 CA ASP A 404 7.850 -20.869 7.242 1.00 38.41 C ATOM 485 C ASP A 404 6.482 -21.518 7.064 1.00 37.80 C ATOM 486 O ASP A 404 5.518 -20.855 6.669 1.00 42.46 O ATOM 487 CB ASP A 404 7.753 -19.577 8.047 1.00 32.13 C ATOM 494 N LYS A 408 6.399 -22.812 7.361 1.00 44.96 N ATOM 495 CA LYS A 408 5.178 -23.586 7.197 1.00 52.67 C ATOM 496 C LYS A 408 4.567 -23.900 8.557 1.00 49.64 C ATOM 497 O LYS A 408 5.275 -24.268 9.498 1.00 53.82 O ATOM 498 CB LYS A 408 5.452 -24.887 6.438 1.00 54.61 C ATOM 503 N CYS A 409 3.247 -23.755 8.649 1.00 51.03 N ATOM 504 CA CYS A 409 2.531 -24.056 9.880 1.00 59.54 C ATOM 505 C CYS A 409 2.341 -25.562 10.004 1.00 56.24 C ATOM 506 O CYS A 409 1.972 -26.228 9.032 1.00 56.37 O ATOM 507 CB CYS A 409 1.179 -23.341 9.900 1.00 48.98 C ATOM 509 N SER A 410 2.592 -26.098 11.198 1.00 56.62 N ATOM 510 CA SER A 410 2.428 -27.524 11.446 1.00 65.16 C ATOM 511 C SER A 410 1.022 -27.893 11.905 1.00 55.82 C ATOM 512 O SER A 410 0.698 -29.084 11.949 1.00 59.21 O ATOM 513 CB SER A 410 3.445 -28.003 12.490 1.00 64.59 C ATOM 518 N THR A 411 0.183 -26.913 12.250 1.00 62.70 N ATOM 519 CA THR A 411 -1.194 -27.219 12.623 1.00 61.30 C ATOM 520 C THR A 411 -2.103 -27.325 11.405 1.00 57.39 C ATOM 521 O THR A 411 -3.098 -28.058 11.443 1.00 80.71 O ATOM 522 CB THR A 411 -1.732 -26.162 13.589 1.00 58.29 C ATOM 523 N CYS A 412 -1.785 -26.607 10.329 1.00 61.19 N ATOM 524 CA CYS A 412 -2.548 -26.702 9.090 1.00 61.71 C ATOM 525 C CYS A 412 -1.608 -26.793 7.893 1.00 66.79 C ATOM 526 O CYS A 412 -0.529 -27.385 7.991 1.00 77.41 O ATOM 527 CB CYS A 412 -3.494 -25.507 8.948 1.00 50.38 C ATOM 529 N SER A 413 -2.006 -26.214 6.760 1.00 51.69 N ATOM 530 CA SER A 413 -1.201 -26.251 5.547 1.00 43.32 C ATOM 531 C SER A 413 -0.739 -24.877 5.085 1.00 47.64 C ATOM 532 O SER A 413 -0.110 -24.778 4.025 1.00 45.20 O ATOM 533 CB SER A 413 -1.977 -26.932 4.412 1.00 48.09 C ATOM 534 N GLN A 414 -1.025 -23.821 5.841 1.00 35.86 N ATOM 535 CA GLN A 414 -0.644 -22.480 5.423 1.00 44.32 C ATOM 536 C GLN A 414 0.861 -22.280 5.552 1.00 41.35 C ATOM 537 O GLN A 414 1.493 -22.771 6.492 1.00 42.86 O ATOM 538 CB GLN A 414 -1.387 -21.433 6.252 1.00 36.93 C ATOM 539 N THR A 415 1.433 -21.558 4.593 1.00 34.22 N ATOM 540 CA THR A 415 2.844 -21.209 4.598 1.00 27.59 C ATOM 541 C THR A 415 2.993 -19.697 4.501 1.00 35.43 C ATOM 542 O THR A 415 2.169 -19.014 3.885 1.00 39.36 O ATOM 543 CB THR A 415 3.594 -21.884 3.444 1.00 37.44 C ATOM 544 N PHE A 416 4.052 -19.177 5.114 1.00 33.11 N ATOM 545 CA PHE A 416 4.286 -17.743 5.171 1.00 34.42 C ATOM 546 C PHE A 416 5.729 -17.435 4.802 1.00 32.72 C ATOM 547 O PHE A 416 6.621 -18.276 4.951 1.00 26.65 O ATOM 548 CB PHE A 416 3.962 -17.182 6.564 1.00 36.39 C ATOM 555 N THR A 417 5.948 -16.217 4.312 1.00 28.65 N ATOM 556 CA THR A 417 7.271 -15.772 3.899 1.00 30.69 C ATOM 557 C THR A 417 8.073 -15.149 5.033 1.00 37.51 C ATOM 558 O THR A 417 9.269 -14.895 4.857 1.00 33.03 O ATOM 559 CB THR A 417 7.155 -14.764 2.749 1.00 30.62 C ATOM 561 N ASN A 418 7.451 -14.899 6.184 1.00 28.57 N ATOM 562 CA ASN A 418 8.118 -14.273 7.314 1.00 31.59 C ATOM 563 C ASN A 418 7.770 -15.019 8.594 1.00 31.63 C ATOM 564 O ASN A 418 6.655 -15.524 8.756 1.00 32.60 O ATOM 565 CB ASN A 418 7.732 -12.793 7.441 1.00 25.17 C ATOM 572 N ALA A 419 8.742 -15.082 9.507 1.00 35.85 N ATOM 573 CA ALA A 419 8.558 -15.853 10.732 1.00 35.51 C ATOM 574 C ALA A 419 7.554 -15.189 11.666 1.00 30.53 C ATOM 575 O ALA A 419 6.787 -15.878 12.350 1.00 41.44 O ATOM 576 CB ALA A 419 9.901 -16.045 11.437 1.00 36.70 C ATOM 578 N GLU A 424 7.546 -13.854 11.717 1.00 31.37 N ATOM 579 CA GLU A 424 6.603 -13.161 12.588 1.00 38.03 C ATOM 580 C GLU A 424 5.168 -13.335 12.110 1.00 35.77 C ATOM 581 O GLU A 424 4.241 -13.342 12.928 1.00 30.20 O ATOM 582 CB GLU A 424 6.960 -11.677 12.682 1.00 42.17 C ATOM 586 N HIS A 425 4.963 -13.480 10.799 1.00 28.65 N ATOM 587 CA HIS A 425 3.624 -13.763 10.295 1.00 34.26 C ATOM 588 C HIS A 425 3.183 -15.170 10.675 1.00 30.93 C ATOM 589 O HIS A 425 2.002 -15.401 10.960 1.00 33.86 O ATOM 590 CB HIS A 425 3.582 -13.574 8.779 1.00 28.60 C ATOM 596 N LEU A 426 4.117 -16.123 10.687 1.00 28.25 N ATOM 597 CA LEU A 426 3.784 -17.474 11.126 1.00 30.41 C ATOM 598 C LEU A 426 3.513 -17.512 12.625 1.00 29.08 C ATOM 599 O LEU A 426 2.601 -18.212 13.079 1.00 26.45 O ATOM 600 CB LEU A 426 4.910 -18.440 10.759 1.00 27.65 C ATOM 604 N ALA A 442 4.293 -16.760 13.407 1.00 26.27 N ATOM 605 CA ALA A 442 4.094 -16.740 14.853 1.00 32.92 C ATOM 606 C ALA A 442 2.734 -16.160 15.216 1.00 34.82 C ATOM 607 O ALA A 442 2.034 -16.696 16.082 1.00 43.05 O ATOM 608 CB ALA A 442 5.214 -15.947 15.528 1.00 31.00 C ATOM 609 N ILE A 443 2.342 -15.062 14.564 1.00 36.23 N ATOM 610 CA ILE A 443 1.022 -14.494 14.813 1.00 37.10 C ATOM 611 C ILE A 443 -0.085 -15.424 14.333 1.00 30.05 C ATOM 612 O ILE A 443 -1.165 -15.461 14.932 1.00 31.31 O ATOM 613 CB ILE A 443 0.902 -13.128 14.139 1.00 36.14 C ATOM 617 N ASN A 444 0.165 -16.177 13.259 1.00 31.52 N ATOM 618 CA ASN A 444 -0.821 -17.142 12.782 1.00 28.10 C ATOM 619 C ASN A 444 -1.013 -18.271 13.786 1.00 34.52 C ATOM 620 O ASN A 444 -2.133 -18.763 13.970 1.00 38.57 O ATOM 621 CB ASN A 444 -0.391 -17.692 11.421 1.00 27.01 C ATOM 627 N ALA A 445 0.069 -18.693 14.446 1.00 34.24 N ATOM 628 CA ALA A 445 -0.038 -19.725 15.472 1.00 37.78 C ATOM 629 C ALA A 445 -0.781 -19.221 16.703 1.00 38.44 C ATOM 630 O ALA A 445 -1.510 -19.989 17.342 1.00 40.49 O ATOM 631 CB ALA A 445 1.354 -20.216 15.872 1.00 43.58 C ATOM 635 N LYS A 446 -0.608 -17.945 17.053 1.00 45.63 N ATOM 636 CA LYS A 446 -1.234 -17.413 18.260 1.00 46.21 C ATOM 637 C LYS A 446 -2.747 -17.322 18.102 1.00 47.34 C ATOM 638 O LYS A 446 -3.500 -17.803 18.957 1.00 50.44 O ATOM 639 CB LYS A 446 -0.644 -16.043 18.596 1.00 52.43 C ATOM 642 N ARG A 447 -3.212 -16.703 17.015 1.00 41.51 N ATOM 643 CA ARG A 447 -4.637 -16.564 16.739 1.00 54.05 C ATOM 644 C ARG A 447 -5.202 -17.748 15.964 1.00 50.40 C ATOM 645 O ARG A 447 -6.170 -17.585 15.209 1.00 64.57 O ATOM 646 CB ARG A 447 -4.902 -15.259 15.988 1.00 55.26 C ATOM 647 N HIS A 518 -4.624 -18.934 16.130 1.00 38.94 N ATOM 648 CA HIS A 518 -5.077 -20.122 15.415 1.00 51.78 C ATOM 649 C HIS A 518 -6.454 -20.563 15.899 1.00 41.39 C ATOM 650 O HIS A 518 -6.577 -21.215 16.936 1.00 66.89 O ATOM 651 CB HIS A 518 -4.070 -21.261 15.583 1.00 49.49 C TER END

Sequence

MASLAEQPFSLFPQQQDEYTHFAEPPHVSVYSSAPMDLSIPADAYSSYVQRAPSQELYTSPSTISYESSLYTADAAFMNGPTSPGYGDEYLPSSSLSSASAQSAPSSAVGSPLSNHGQIGMATDCFVPGLGIQPGIANADFVDFPFGAQGLDDMAFEFANMVHPKSFVDPSLIHPEISRPPMAISSYETHHYQPAAPHYPASPSAISSSSPQPHMIRTSSSSPYLQNGPFQPATTAYSNSPYATSTAMAPGAGIGARRMSMGKTGGSSFISPVSADYPSGDEIKEKHMCTYPECGKTFKDLKAHMLTHQTERPEKCPIMTCEYHVKGFARKYDKNRHTLTHYKGTMVCGFCPGSGSAAEKSFNRADVFKRHLTAVHGVEQTPPNSRRRASGAVAPKTLAGYAPDATGKCSTCSQTFTNAQDFYEHLDDCVLRIVQQEDPAEAINAKRLAEVADDKDVQQTLEKNNLPATTETSMAEDEDEDEDMEEDETDDVSKLTYSPMKKKNNNLNRVSKSRGITHSRGGVQLSAKSRGRNKRRDYPSSWGFNKGQMTMKKRVVAVFDGPRRLAKDDMMLSTDHEVRIKLSDGKSYVTDLDVQTLKRAEGFHNASESEKGPWLSDDPTEEQVKEMQRLLDTGASEL

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