User input for job 693425

Modeling method CM only

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

Partial threads

wt: 1 >query MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA >7FEZ_clean.pdb MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA ATOM 1 N MET A 1 13.488 4.392 -4.618 0.98 36.27 N ATOM 2 CA MET A 1 12.397 3.968 -5.557 0.98 27.13 C ATOM 3 C MET A 1 11.680 2.719 -5.028 0.98 20.34 C ATOM 4 O MET A 1 10.464 2.596 -5.235 0.98 29.22 O ATOM 5 CB MET A 1 12.965 3.738 -6.938 0.98 27.31 C ATOM 6 N AVAL A 2 12.386 1.825 -4.324 0.51 17.09 N ATOM 8 CA AVAL A 2 11.807 0.550 -3.790 0.51 12.48 C ATOM 10 C AVAL A 2 11.576 0.639 -2.273 0.51 8.78 C ATOM 12 O AVAL A 2 11.271 -0.374 -1.665 0.51 9.80 O ATOM 14 CB AVAL A 2 12.712 -0.658 -4.102 0.51 16.47 C ATOM 20 N AASP A 3 11.793 1.784 -1.639 0.55 8.06 N ATOM 22 CA AASP A 3 11.902 1.834 -0.163 0.55 8.57 C ATOM 24 C AASP A 3 10.603 1.432 0.544 0.55 8.62 C ATOM 26 O AASP A 3 10.724 0.854 1.604 0.55 11.15 O ATOM 28 CB AASP A 3 12.398 3.197 0.271 0.55 9.00 C ATOM 36 N ALA A 4 9.420 1.669 -0.004 1.00 10.80 N ATOM 37 CA ALA A 4 8.234 1.285 0.778 1.00 11.58 C ATOM 38 C ALA A 4 8.086 -0.248 0.837 1.00 10.08 C ATOM 39 O ALA A 4 7.354 -0.733 1.683 1.00 14.26 O ATOM 40 CB ALA A 4 7.034 1.943 0.181 1.00 13.52 C ATOM 41 N PHE A 5 8.776 -1.007 -0.034 1.00 8.57 N ATOM 42 CA PHE A 5 8.749 -2.474 -0.003 1.00 8.14 C ATOM 43 C PHE A 5 9.642 -3.045 1.089 1.00 7.55 C ATOM 44 O PHE A 5 9.533 -4.247 1.395 1.00 8.18 O ATOM 45 CB PHE A 5 9.196 -3.078 -1.334 1.00 8.70 C ATOM 52 N LEU A 6 10.567 -2.268 1.600 1.00 7.17 N ATOM 53 CA LEU A 6 11.584 -2.818 2.498 1.00 6.75 C ATOM 54 C LEU A 6 10.965 -3.140 3.845 1.00 7.37 C ATOM 55 O LEU A 6 10.078 -2.436 4.329 1.00 11.40 O ATOM 56 CB LEU A 6 12.728 -1.819 2.630 1.00 7.34 C ATOM 60 N GLY A 7 11.452 -4.206 4.444 1.00 6.56 N ATOM 61 CA GLY A 7 11.056 -4.591 5.791 1.00 7.57 C ATOM 62 C GLY A 7 10.739 -6.066 5.876 1.00 5.76 C ATOM 63 O GLY A 7 11.090 -6.853 4.980 1.00 6.14 O ATOM 64 N THR A 8 10.074 -6.408 6.970 1.00 6.05 N ATOM 65 CA THR A 8 9.727 -7.786 7.302 1.00 6.09 C ATOM 66 C THR A 8 8.206 -7.926 7.171 1.00 6.39 C ATOM 67 O THR A 8 7.464 -7.133 7.762 1.00 8.19 O ATOM 68 CB THR A 8 10.196 -8.148 8.708 1.00 7.15 C ATOM 71 N TRP A 9 7.793 -8.942 6.430 1.00 5.71 N ATOM 72 CA TRP A 9 6.397 -9.128 6.021 1.00 5.88 C ATOM 73 C TRP A 9 5.981 -10.562 6.325 1.00 5.77 C ATOM 74 O TRP A 9 6.769 -11.494 6.154 1.00 6.90 O ATOM 75 CB TRP A 9 6.304 -8.905 4.507 1.00 6.51 C ATOM 85 N ALYS A 10 4.725 -10.745 6.723 0.50 5.95 N ATOM 87 CA ALYS A 10 4.218 -12.095 7.076 0.50 6.93 C ATOM 89 C ALYS A 10 3.011 -12.390 6.183 0.50 5.25 C ATOM 91 O ALYS A 10 2.107 -11.542 6.109 0.50 5.85 O ATOM 93 CB ALYS A 10 3.826 -12.054 8.557 0.50 8.96 C ATOM 103 N LEU A 11 2.868 -13.647 5.779 1.00 5.05 N ATOM 104 CA LEU A 11 1.717 -14.033 4.955 1.00 4.82 C ATOM 105 C LEU A 11 0.438 -14.019 5.800 1.00 5.00 C ATOM 106 O LEU A 11 0.384 -14.650 6.852 1.00 6.32 O ATOM 107 CB LEU A 11 1.937 -15.434 4.393 1.00 4.96 C ATOM 111 N VAL A 12 -0.604 -13.367 5.249 1.00 4.71 N ATOM 112 CA VAL A 12 -1.900 -13.296 5.926 1.00 5.21 C ATOM 113 C VAL A 12 -3.078 -13.703 5.038 1.00 4.88 C ATOM 114 O VAL A 12 -4.211 -13.687 5.528 1.00 6.12 O ATOM 115 CB VAL A 12 -2.157 -11.916 6.553 1.00 6.48 C ATOM 118 N ASP A 13 -2.861 -14.036 3.777 1.00 4.57 N ATOM 119 CA ASP A 13 -3.940 -14.511 2.898 1.00 4.39 C ATOM 120 C ASP A 13 -3.293 -15.169 1.691 1.00 4.13 C ATOM 121 O ASP A 13 -2.249 -14.699 1.227 1.00 4.62 O ATOM 122 CB ASP A 13 -4.831 -13.351 2.421 1.00 5.09 C ATOM 126 N SER A 14 -3.943 -16.199 1.161 1.00 4.26 N ATOM 127 CA SER A 14 -3.436 -16.833 -0.057 1.00 4.20 C ATOM 128 C SER A 14 -4.605 -17.366 -0.888 1.00 4.01 C ATOM 129 O SER A 14 -5.452 -18.098 -0.377 1.00 4.83 O ATOM 130 CB SER A 14 -2.488 -17.981 0.314 1.00 4.71 C ATOM 132 N LYS A 15 -4.578 -17.018 -2.171 1.00 3.93 N ATOM 133 CA LYS A 15 -5.600 -17.447 -3.125 1.00 3.93 C ATOM 134 C LYS A 15 -4.912 -18.115 -4.317 1.00 3.89 C ATOM 135 O LYS A 15 -4.037 -17.518 -4.959 1.00 4.48 O ATOM 136 CB LYS A 15 -6.432 -16.266 -3.613 1.00 4.52 C ATOM 141 N ASN A 16 -5.325 -19.349 -4.612 1.00 3.87 N ATOM 142 CA ASN A 16 -4.908 -20.073 -5.808 1.00 4.20 C ATOM 143 C ASN A 16 -3.420 -20.477 -5.813 1.00 4.21 C ATOM 144 O ASN A 16 -2.873 -20.772 -6.877 1.00 4.84 O ATOM 145 CB ASN A 16 -5.242 -19.358 -7.108 1.00 4.88 C ATOM 149 N PHE A 17 -2.798 -20.568 -4.645 1.00 4.11 N ATOM 150 CA PHE A 17 -1.398 -21.010 -4.640 1.00 4.18 C ATOM 151 C PHE A 17 -1.270 -22.455 -5.098 1.00 4.45 C ATOM 152 O PHE A 17 -0.277 -22.804 -5.739 1.00 4.79 O ATOM 153 CB PHE A 17 -0.781 -20.779 -3.263 1.00 4.45 C ATOM 160 N ASP A 18 -2.238 -23.314 -4.758 1.00 4.92 N ATOM 161 CA ASP A 18 -2.137 -24.693 -5.237 1.00 5.41 C ATOM 162 C ASP A 18 -2.140 -24.725 -6.768 1.00 5.61 C ATOM 163 O ASP A 18 -1.363 -25.477 -7.366 1.00 6.28 O ATOM 164 CB ASP A 18 -3.246 -25.559 -4.641 1.00 6.25 C ATOM 168 N AASP A 19 -3.003 -23.935 -7.403 0.60 6.16 N ATOM 170 CA AASP A 19 -3.030 -23.870 -8.879 0.60 7.10 C ATOM 172 C AASP A 19 -1.660 -23.475 -9.416 0.60 5.99 C ATOM 174 O AASP A 19 -1.178 -24.039 -10.412 0.60 6.81 O ATOM 176 CB AASP A 19 -4.029 -22.817 -9.391 0.60 9.24 C ATOM 184 N TYR A 20 -1.076 -22.449 -8.819 1.00 5.33 N ATOM 185 CA TYR A 20 0.230 -21.965 -9.281 1.00 5.15 C ATOM 186 C TYR A 20 1.296 -23.064 -9.127 1.00 4.82 C ATOM 187 O TYR A 20 2.058 -23.342 -10.059 1.00 5.22 O ATOM 188 CB TYR A 20 0.588 -20.704 -8.502 1.00 5.02 C ATOM 196 N MET A 21 1.353 -23.671 -7.948 1.00 4.97 N ATOM 197 CA MET A 21 2.324 -24.752 -7.723 1.00 5.22 C ATOM 198 C MET A 21 2.104 -25.909 -8.693 1.00 5.69 C ATOM 199 O MET A 21 3.062 -26.469 -9.234 1.00 6.18 O ATOM 200 CB MET A 21 2.255 -25.243 -6.284 1.00 5.27 C ATOM 204 N ALYS A 22 0.857 -26.291 -8.882 0.54 5.99 N ATOM 206 CA ALYS A 22 0.591 -27.422 -9.769 0.54 6.75 C ATOM 208 C ALYS A 22 1.029 -27.062 -11.190 0.54 6.67 C ATOM 210 O ALYS A 22 1.577 -27.931 -11.904 0.54 8.36 O ATOM 212 CB ALYS A 22 -0.884 -27.779 -9.626 0.54 7.96 C ATOM 222 N ASER A 23 0.827 -25.823 -11.625 0.67 6.39 N ATOM 224 CA ASER A 23 1.238 -25.395 -12.977 0.67 6.59 C ATOM 226 C ASER A 23 2.756 -25.537 -13.167 0.67 6.60 C ATOM 228 O ASER A 23 3.218 -25.850 -14.267 0.67 7.89 O ATOM 230 CB ASER A 23 0.759 -23.981 -13.197 0.67 6.64 C ATOM 234 N LEU A 24 3.514 -25.318 -12.106 1.00 6.97 N ATOM 235 CA LEU A 24 4.974 -25.490 -12.119 1.00 7.95 C ATOM 236 C LEU A 24 5.402 -26.958 -11.970 1.00 9.56 C ATOM 237 O LEU A 24 6.613 -27.237 -11.982 1.00 12.74 O ATOM 238 CB LEU A 24 5.585 -24.666 -10.987 1.00 6.98 C ATOM 242 N GLY A 25 4.483 -27.885 -11.790 1.00 9.22 N ATOM 243 CA GLY A 25 4.838 -29.298 -11.631 1.00 10.52 C ATOM 244 C GLY A 25 5.262 -29.675 -10.225 1.00 9.21 C ATOM 245 O GLY A 25 5.875 -30.726 -10.055 1.00 11.19 O ATOM 246 N VAL A 26 4.929 -28.864 -9.229 1.00 7.64 N ATOM 247 CA VAL A 26 5.239 -29.211 -7.830 1.00 7.01 C ATOM 248 C VAL A 26 4.386 -30.407 -7.401 1.00 7.56 C ATOM 249 O VAL A 26 3.174 -30.432 -7.638 1.00 8.96 O ATOM 250 CB VAL A 26 4.982 -27.994 -6.931 1.00 6.76 C ATOM 253 N GLY A 27 5.007 -31.381 -6.755 1.00 8.43 N ATOM 254 CA GLY A 27 4.319 -32.595 -6.334 1.00 9.93 C ATOM 255 C GLY A 27 3.315 -32.378 -5.226 1.00 8.35 C ATOM 256 O GLY A 27 3.428 -31.426 -4.446 1.00 8.15 O ATOM 257 N PHE A 28 2.374 -33.315 -5.119 1.00 9.14 N ATOM 258 CA PHE A 28 1.232 -33.116 -4.226 1.00 9.07 C ATOM 259 C PHE A 28 1.679 -32.961 -2.776 1.00 8.26 C ATOM 260 O PHE A 28 1.022 -32.214 -2.050 1.00 7.81 O ATOM 261 CB PHE A 28 0.219 -34.258 -4.335 1.00 11.42 C ATOM 268 N ALA A 29 2.712 -33.661 -2.333 1.00 9.11 N ATOM 269 CA ALA A 29 3.082 -33.619 -0.904 1.00 9.85 C ATOM 270 C ALA A 29 3.663 -32.246 -0.576 1.00 8.41 C ATOM 271 O ALA A 29 3.427 -31.691 0.502 1.00 9.12 O ATOM 272 CB ALA A 29 4.035 -34.728 -0.589 1.00 12.67 C ATOM 273 N THR A 30 4.459 -31.700 -1.481 1.00 7.94 N ATOM 274 CA THR A 30 4.991 -30.340 -1.296 1.00 7.30 C ATOM 275 C THR A 30 3.860 -29.327 -1.322 1.00 6.59 C ATOM 276 O THR A 30 3.850 -28.393 -0.506 1.00 6.87 O ATOM 277 CB THR A 30 6.076 -30.062 -2.348 1.00 7.79 C ATOM 280 N AARG A 31 2.929 -29.484 -2.248 0.77 6.38 N ATOM 282 CA AARG A 31 1.804 -28.533 -2.289 0.77 6.13 C ATOM 284 C AARG A 31 1.032 -28.582 -0.976 0.77 6.07 C ATOM 286 O AARG A 31 0.572 -27.550 -0.472 0.77 6.43 O ATOM 288 CB AARG A 31 0.855 -28.817 -3.456 0.77 6.18 C ATOM 302 N AGLN A 32 0.843 -29.782 -0.456 0.64 6.11 N ATOM 304 CA AGLN A 32 0.068 -29.954 0.778 0.64 6.12 C ATOM 306 C AGLN A 32 0.721 -29.154 1.916 0.64 6.26 C ATOM 308 O AGLN A 32 0.056 -28.387 2.600 0.64 6.64 O ATOM 310 CB AGLN A 32 -0.037 -31.448 1.102 0.64 6.26 C ATOM 320 N VAL A 33 2.020 -29.338 2.138 1.00 6.63 N ATOM 321 CA VAL A 33 2.708 -28.622 3.231 1.00 6.94 C ATOM 322 C VAL A 33 2.694 -27.124 2.925 1.00 6.16 C ATOM 323 O VAL A 33 2.428 -26.294 3.825 1.00 6.59 O ATOM 324 CB VAL A 33 4.115 -29.168 3.458 1.00 8.28 C ATOM 327 N ALA A 34 3.002 -26.747 1.688 1.00 5.96 N ATOM 328 CA ALA A 34 3.053 -25.327 1.311 1.00 6.03 C ATOM 329 C ALA A 34 1.707 -24.629 1.554 1.00 5.98 C ATOM 330 O ALA A 34 1.692 -23.436 1.925 1.00 6.73 O ATOM 331 CB ALA A 34 3.480 -25.189 -0.134 1.00 6.35 C ATOM 332 N SER A 35 0.609 -25.337 1.374 1.00 5.65 N ATOM 333 CA SER A 35 -0.719 -24.739 1.554 1.00 5.85 C ATOM 334 C SER A 35 -0.999 -24.366 3.015 1.00 5.74 C ATOM 335 O SER A 35 -1.935 -23.596 3.265 1.00 6.99 O ATOM 336 CB SER A 35 -1.809 -25.659 1.051 1.00 6.41 C ATOM 338 N AMET A 36 -0.215 -24.918 3.935 0.75 5.69 N ATOM 340 CA AMET A 36 -0.352 -24.686 5.380 0.75 6.13 C ATOM 342 C AMET A 36 0.842 -23.932 5.960 0.75 7.10 C ATOM 344 O AMET A 36 0.981 -23.880 7.175 0.75 10.20 O ATOM 346 CB AMET A 36 -0.525 -26.011 6.111 0.75 6.51 C ATOM 354 N THR A 37 1.686 -23.384 5.121 1.00 6.16 N ATOM 355 CA THR A 37 2.879 -22.666 5.557 1.00 6.45 C ATOM 356 C THR A 37 2.642 -21.160 5.413 1.00 5.73 C ATOM 357 O THR A 37 2.099 -20.727 4.396 1.00 7.20 O ATOM 358 CB THR A 37 4.057 -23.158 4.706 1.00 7.33 C ATOM 361 N LYS A 38 3.094 -20.381 6.400 1.00 6.08 N ATOM 362 CA LYS A 38 2.988 -18.921 6.350 1.00 5.78 C ATOM 363 C LYS A 38 4.408 -18.347 6.378 1.00 5.80 C ATOM 364 O LYS A 38 5.002 -18.207 7.443 1.00 8.72 O ATOM 365 CB LYS A 38 2.186 -18.359 7.511 1.00 7.68 C ATOM 370 N PRO A 39 4.977 -18.023 5.219 1.00 4.88 N ATOM 371 CA PRO A 39 6.341 -17.494 5.218 1.00 4.75 C ATOM 372 C PRO A 39 6.414 -16.079 5.775 1.00 4.64 C ATOM 373 O PRO A 39 5.454 -15.318 5.786 1.00 5.40 O ATOM 374 CB PRO A 39 6.740 -17.513 3.736 1.00 5.37 C ATOM 377 N THR A 40 7.654 -15.762 6.162 1.00 4.84 N ATOM 378 CA THR A 40 8.093 -14.406 6.460 1.00 5.25 C ATOM 379 C THR A 40 9.041 -13.995 5.338 1.00 5.02 C ATOM 380 O THR A 40 10.018 -14.707 5.080 1.00 6.02 O ATOM 381 CB THR A 40 8.779 -14.340 7.829 1.00 6.25 C ATOM 384 N THR A 41 8.767 -12.857 4.711 1.00 5.04 N ATOM 385 CA THR A 41 9.624 -12.318 3.659 1.00 5.05 C ATOM 386 C THR A 41 10.301 -11.061 4.184 1.00 4.98 C ATOM 387 O THR A 41 9.638 -10.168 4.715 1.00 6.13 O ATOM 388 CB THR A 41 8.798 -12.031 2.405 1.00 6.74 C ATOM 391 N AILE A 42 11.623 -11.007 4.009 0.64 4.84 N ATOM 393 CA AILE A 42 12.423 -9.860 4.453 0.64 5.16 C ATOM 395 C AILE A 42 13.052 -9.260 3.204 0.64 5.30 C ATOM 397 O AILE A 42 13.739 -9.972 2.457 0.64 6.40 O ATOM 399 CB AILE A 42 13.502 -10.268 5.462 0.64 6.37 C ATOM 407 N ILE A 43 12.824 -7.970 2.996 1.00 5.42 N ATOM 408 CA ILE A 43 13.368 -7.266 1.823 1.00 5.82 C ATOM 409 C ILE A 43 14.264 -6.155 2.364 1.00 5.69 C ATOM 410 O ILE A 43 13.809 -5.312 3.151 1.00 6.18 O ATOM 411 CB ILE A 43 12.268 -6.722 0.893 1.00 6.99 C ATOM 415 N AGLU A 44 15.544 -6.200 1.994 0.62 5.97 N ATOM 417 CA AGLU A 44 16.575 -5.246 2.447 0.62 6.27 C ATOM 419 C AGLU A 44 17.275 -4.669 1.227 0.62 5.46 C ATOM 421 O AGLU A 44 17.329 -5.311 0.185 0.62 6.50 O ATOM 423 CB AGLU A 44 17.583 -5.921 3.384 0.62 13.01 C ATOM 433 N ALYS A 45 17.818 -3.463 1.355 0.64 5.38 N ATOM 435 CA ALYS A 45 18.699 -2.962 0.282 0.64 5.99 C ATOM 437 C ALYS A 45 19.983 -2.436 0.893 0.64 5.98 C ATOM 439 O ALYS A 45 20.020 -1.980 2.048 0.64 6.99 O ATOM 441 CB ALYS A 45 18.084 -1.831 -0.560 0.64 6.86 C ATOM 451 N ASN A 46 21.008 -2.479 0.059 1.00 6.63 N ATOM 452 CA ASN A 46 22.323 -1.888 0.347 1.00 7.62 C ATOM 453 C ASN A 46 22.737 -1.253 -0.965 1.00 9.08 C ATOM 454 O ASN A 46 23.130 -1.966 -1.902 1.00 9.82 O ATOM 455 CB ASN A 46 23.272 -2.965 0.847 1.00 8.32 C ATOM 459 N GLY A 47 22.561 0.066 -1.081 1.00 11.34 N ATOM 460 CA GLY A 47 22.638 0.709 -2.403 1.00 14.29 C ATOM 461 C GLY A 47 21.596 0.153 -3.361 1.00 14.92 C ATOM 462 O GLY A 47 20.448 0.030 -2.961 1.00 17.54 O ATOM 463 N AASP A 48 21.813 -0.171 -4.654 0.54 11.84 N ATOM 465 CA AASP A 48 20.795 -0.794 -5.564 0.54 9.74 C ATOM 467 C AASP A 48 20.924 -2.333 -5.487 0.54 10.25 C ATOM 469 O AASP A 48 20.324 -2.980 -6.403 0.54 10.50 O ATOM 471 CB AASP A 48 20.918 -0.230 -6.990 0.54 9.87 C ATOM 479 N ILE A 49 21.625 -2.893 -4.453 1.00 10.05 N ATOM 480 CA ILE A 49 21.546 -4.350 -4.277 1.00 7.12 C ATOM 481 C ILE A 49 20.432 -4.653 -3.284 1.00 5.88 C ATOM 482 O ILE A 49 20.494 -4.252 -2.118 1.00 6.22 O ATOM 483 CB ILE A 49 22.844 -4.974 -3.804 1.00 7.20 C ATOM 487 N ALEU A 50 19.432 -5.379 -3.752 0.52 5.57 N ATOM 489 CA ALEU A 50 18.370 -5.873 -2.875 0.52 5.01 C ATOM 491 C ALEU A 50 18.676 -7.303 -2.480 0.52 4.68 C ATOM 493 O ALEU A 50 19.215 -8.086 -3.283 0.52 5.71 O ATOM 495 CB ALEU A 50 17.001 -5.834 -3.554 0.52 6.72 C ATOM 503 N THR A 51 18.262 -7.632 -1.264 1.00 4.63 N ATOM 504 CA THR A 51 18.275 -9.017 -0.806 1.00 4.75 C ATOM 505 C THR A 51 16.862 -9.352 -0.321 1.00 5.03 C ATOM 506 O THR A 51 16.285 -8.615 0.480 1.00 6.98 O ATOM 507 CB THR A 51 19.307 -9.231 0.304 1.00 5.41 C ATOM 510 N LEU A 52 16.331 -10.445 -0.847 1.00 4.46 N ATOM 511 CA LEU A 52 14.967 -10.897 -0.540 1.00 4.30 C ATOM 512 C LEU A 52 15.069 -12.288 0.049 1.00 4.07 C ATOM 513 O LEU A 52 15.467 -13.242 -0.636 1.00 4.38 O ATOM 514 CB LEU A 52 14.109 -10.809 -1.803 1.00 5.25 C ATOM 518 N LYS A 53 14.740 -12.376 1.331 1.00 4.20 N ATOM 519 CA LYS A 53 14.749 -13.638 2.077 1.00 4.24 C ATOM 520 C LYS A 53 13.302 -14.111 2.224 1.00 4.08 C ATOM 521 O LYS A 53 12.427 -13.298 2.544 1.00 5.03 O ATOM 522 CB LYS A 53 15.318 -13.435 3.479 1.00 4.75 C ATOM 527 N THR A 54 13.081 -15.395 2.033 1.00 4.09 N ATOM 528 CA THR A 54 11.777 -15.995 2.318 1.00 4.31 C ATOM 529 C THR A 54 12.026 -17.144 3.282 1.00 4.27 C ATOM 530 O THR A 54 12.756 -18.079 2.963 1.00 4.99 O ATOM 531 CB THR A 54 11.073 -16.478 1.045 1.00 4.82 C ATOM 534 N HIS A 55 11.471 -17.010 4.488 1.00 4.42 N ATOM 535 CA HIS A 55 11.716 -17.964 5.564 1.00 4.48 C ATOM 536 C HIS A 55 10.420 -18.677 5.929 1.00 4.55 C ATOM 537 O HIS A 55 9.349 -18.056 5.959 1.00 5.26 O ATOM 538 CB HIS A 55 12.236 -17.238 6.806 1.00 5.21 C ATOM 544 N SER A 56 10.532 -19.959 6.246 1.00 4.84 N ATOM 545 CA SER A 56 9.365 -20.685 6.718 1.00 5.26 C ATOM 546 C SER A 56 9.810 -21.933 7.448 1.00 5.53 C ATOM 547 O SER A 56 10.973 -22.288 7.459 1.00 6.06 O ATOM 548 CB SER A 56 8.420 -21.056 5.564 1.00 5.43 C ATOM 550 N THR A 57 8.812 -22.620 8.001 1.00 6.20 N ATOM 551 CA THR A 57 9.023 -23.923 8.629 1.00 7.07 C ATOM 552 C THR A 57 9.254 -25.028 7.612 1.00 7.46 C ATOM 553 O THR A 57 9.557 -26.151 8.035 1.00 10.46 O ATOM 554 CB THR A 57 7.810 -24.264 9.511 1.00 8.61 C ATOM 557 N PHE A 58 9.087 -24.762 6.331 1.00 6.67 N ATOM 558 CA PHE A 58 9.211 -25.794 5.294 1.00 6.68 C ATOM 559 C PHE A 58 10.443 -25.576 4.428 1.00 7.14 C ATOM 560 O PHE A 58 11.353 -26.381 4.450 1.00 11.74 O ATOM 561 CB PHE A 58 7.916 -25.822 4.487 1.00 7.04 C ATOM 568 N ALYS A 59 10.432 -24.523 3.609 0.57 8.11 N ATOM 570 CA ALYS A 59 11.528 -24.113 2.698 0.57 8.28 C ATOM 572 C ALYS A 59 12.056 -22.735 3.135 0.57 6.67 C ATOM 574 O ALYS A 59 11.265 -21.909 3.592 0.57 6.22 O ATOM 576 CB ALYS A 59 11.044 -24.044 1.236 0.57 9.71 C ATOM 586 N AASN A 60 13.343 -22.459 2.905 0.61 6.37 N ATOM 588 CA AASN A 60 13.895 -21.102 2.969 0.61 5.28 C ATOM 590 C AASN A 60 14.585 -20.795 1.631 0.61 4.51 C ATOM 592 O AASN A 60 15.206 -21.699 1.043 0.61 5.26 O ATOM 594 CB AASN A 60 14.951 -20.991 4.063 0.61 6.03 C ATOM 602 N THR A 61 14.518 -19.529 1.212 1.00 4.14 N ATOM 603 CA THR A 61 15.285 -19.049 0.071 1.00 3.97 C ATOM 604 C THR A 61 15.881 -17.687 0.379 1.00 3.77 C ATOM 605 O THR A 61 15.393 -16.946 1.253 1.00 4.22 O ATOM 606 CB THR A 61 14.419 -18.957 -1.211 1.00 4.12 C ATOM 609 N GLU A 62 16.913 -17.334 -0.383 1.00 3.73 N ATOM 610 CA GLU A 62 17.459 -15.987 -0.348 1.00 3.67 C ATOM 611 C GLU A 62 18.029 -15.688 -1.722 1.00 3.88 C ATOM 612 O GLU A 62 18.761 -16.509 -2.281 1.00 4.56 O ATOM 613 CB GLU A 62 18.553 -15.846 0.723 1.00 3.91 C ATOM 618 N ILE A 63 17.727 -14.492 -2.220 1.00 3.88 N ATOM 619 CA ILE A 63 18.311 -13.982 -3.462 1.00 4.07 C ATOM 620 C ILE A 63 18.836 -12.580 -3.210 1.00 4.20 C ATOM 621 O ILE A 63 18.257 -11.815 -2.431 1.00 4.92 O ATOM 622 CB ILE A 63 17.290 -14.013 -4.629 1.00 4.50 C ATOM 626 N SER A 64 19.922 -12.244 -3.910 1.00 4.50 N ATOM 627 CA SER A 64 20.403 -10.868 -3.992 1.00 4.57 C ATOM 628 C SER A 64 20.520 -10.483 -5.459 1.00 4.78 C ATOM 629 O SER A 64 20.916 -11.310 -6.298 1.00 5.86 O ATOM 630 CB SER A 64 21.761 -10.654 -3.318 1.00 5.37 C ATOM 632 N PHE A 65 20.193 -9.239 -5.760 1.00 4.86 N ATOM 633 CA PHE A 65 20.172 -8.802 -7.150 1.00 5.34 C ATOM 634 C PHE A 65 20.270 -7.292 -7.193 1.00 5.70 C ATOM 635 O PHE A 65 19.888 -6.591 -6.260 1.00 5.97 O ATOM 636 CB PHE A 65 18.897 -9.278 -7.868 1.00 5.49 C ATOM 643 N ALYS A 66 20.725 -6.824 -8.349 0.59 7.37 N ATOM 645 CA ALYS A 66 20.672 -5.405 -8.703 0.59 8.89 C ATOM 647 C ALYS A 66 19.406 -5.224 -9.552 0.59 8.29 C ATOM 649 O ALYS A 66 19.185 -6.037 -10.464 0.59 6.05 O ATOM 651 CB ALYS A 66 21.984 -5.049 -9.412 0.59 8.79 C ATOM 661 N LEU A 67 18.501 -4.138 -9.334 1.00 31.42 N ATOM 662 CA LEU A 67 17.345 -3.970 -10.249 1.00 86.97 C ATOM 663 C LEU A 67 17.854 -3.826 -11.675 1.00 10.53 C ATOM 664 O LEU A 67 18.865 -3.122 -11.913 1.00 9.68 O ATOM 665 CB LEU A 67 16.526 -2.728 -9.884 1.00163.35 C ATOM 669 N GLY A 68 17.148 -4.488 -12.578 1.00 10.62 N ATOM 670 CA GLY A 68 17.426 -4.367 -14.011 1.00 10.23 C ATOM 671 C GLY A 68 18.631 -5.157 -14.466 1.00 8.27 C ATOM 672 O GLY A 68 18.996 -4.973 -15.621 1.00 10.61 O ATOM 673 N VAL A 69 19.212 -6.002 -13.613 1.00 6.42 N ATOM 674 CA VAL A 69 20.370 -6.806 -14.038 1.00 6.06 C ATOM 675 C VAL A 69 20.042 -8.276 -13.839 1.00 5.11 C ATOM 676 O VAL A 69 19.675 -8.708 -12.725 1.00 5.02 O ATOM 677 CB VAL A 69 21.637 -6.417 -13.278 1.00 6.80 C ATOM 680 N GLU A 70 20.160 -9.071 -14.887 1.00 5.37 N ATOM 681 CA GLU A 70 19.821 -10.489 -14.806 1.00 4.98 C ATOM 682 C GLU A 70 20.714 -11.201 -13.775 1.00 4.73 C ATOM 683 O GLU A 70 21.905 -10.889 -13.627 1.00 5.16 O ATOM 684 CB GLU A 70 19.969 -11.124 -16.187 1.00 5.80 C ATOM 689 N PHE A 71 20.132 -12.199 -13.113 1.00 4.50 N ATOM 690 CA PHE A 71 20.854 -13.042 -12.159 1.00 4.39 C ATOM 691 C PHE A 71 20.357 -14.474 -12.305 1.00 4.23 C ATOM 692 O PHE A 71 19.206 -14.726 -12.652 1.00 5.06 O ATOM 693 CB PHE A 71 20.701 -12.528 -10.716 1.00 4.64 C ATOM 700 N ASP A 72 21.247 -15.415 -11.991 1.00 4.47 N ATOM 701 CA ASP A 72 20.851 -16.812 -11.871 1.00 4.54 C ATOM 702 C ASP A 72 20.129 -17.034 -10.540 1.00 4.35 C ATOM 703 O ASP A 72 20.516 -16.463 -9.514 1.00 5.01 O ATOM 704 CB ASP A 72 22.084 -17.718 -11.954 1.00 5.50 C ATOM 708 N GLU A 73 19.131 -17.907 -10.553 1.00 4.49 N ATOM 709 CA GLU A 73 18.356 -18.215 -9.353 1.00 4.34 C ATOM 710 C GLU A 73 17.999 -19.690 -9.372 1.00 4.41 C ATOM 711 O GLU A 73 17.702 -20.250 -10.434 1.00 5.34 O ATOM 712 CB GLU A 73 17.098 -17.324 -9.338 1.00 4.36 C ATOM 717 N THR A 74 17.994 -20.287 -8.186 1.00 4.43 N ATOM 718 CA THR A 74 17.485 -21.640 -7.994 1.00 4.74 C ATOM 719 C THR A 74 16.301 -21.515 -7.034 1.00 4.53 C ATOM 720 O THR A 74 16.471 -21.127 -5.880 1.00 5.39 O ATOM 721 CB THR A 74 18.552 -22.588 -7.477 1.00 5.96 C ATOM 724 N THR A 75 15.109 -21.797 -7.532 1.00 4.48 N ATOM 725 CA THR A 75 13.891 -21.486 -6.807 1.00 4.44 C ATOM 726 C THR A 75 13.628 -22.484 -5.677 1.00 4.77 C ATOM 727 O THR A 75 14.287 -23.526 -5.557 1.00 5.67 O ATOM 728 CB THR A 75 12.716 -21.446 -7.787 1.00 4.46 C ATOM 731 N ALA A 76 12.594 -22.192 -4.881 1.00 4.90 N ATOM 732 CA ALA A 76 12.244 -23.053 -3.744 1.00 5.51 C ATOM 733 C ALA A 76 11.905 -24.476 -4.190 1.00 6.10 C ATOM 734 O ALA A 76 12.122 -25.415 -3.419 1.00 8.49 O ATOM 735 CB ALA A 76 11.094 -22.452 -2.976 1.00 5.79 C ATOM 736 N ASP A 77 11.352 -24.608 -5.395 1.00 5.67 N ATOM 737 CA ASP A 77 11.014 -25.896 -6.020 1.00 6.41 C ATOM 738 C ASP A 77 12.124 -26.395 -6.955 1.00 6.78 C ATOM 739 O ASP A 77 11.874 -27.297 -7.768 1.00 8.25 O ATOM 740 CB ASP A 77 9.665 -25.837 -6.743 1.00 6.37 C ATOM 744 N ASP A 78 13.325 -25.843 -6.843 1.00 6.36 N ATOM 745 CA ASP A 78 14.539 -26.361 -7.487 1.00 7.21 C ATOM 746 C ASP A 78 14.570 -26.139 -8.997 1.00 7.12 C ATOM 747 O ASP A 78 15.320 -26.821 -9.686 1.00 10.68 O ATOM 748 CB ASP A 78 14.802 -27.811 -7.101 1.00 9.60 C ATOM 752 N ARG A 79 13.847 -25.145 -9.504 1.00 5.79 N ATOM 753 CA ARG A 79 14.054 -24.731 -10.901 1.00 5.65 C ATOM 754 C ARG A 79 15.295 -23.837 -10.977 1.00 5.33 C ATOM 755 O ARG A 79 15.462 -22.929 -10.167 1.00 6.40 O ATOM 756 CB ARG A 79 12.852 -23.949 -11.441 1.00 5.53 C ATOM 763 N LYS A 80 16.099 -24.055 -12.005 1.00 5.96 N ATOM 764 CA LYS A 80 17.266 -23.200 -12.285 1.00 5.82 C ATOM 765 C LYS A 80 16.848 -22.234 -13.380 1.00 5.55 C ATOM 766 O LYS A 80 16.586 -22.651 -14.531 1.00 7.45 O ATOM 767 CB LYS A 80 18.472 -24.048 -12.674 1.00 7.58 C ATOM 772 N VAL A 81 16.720 -20.972 -13.016 1.00 5.03 N ATOM 773 CA VAL A 81 16.094 -19.963 -13.876 1.00 4.90 C ATOM 774 C VAL A 81 17.025 -18.766 -14.067 1.00 4.80 C ATOM 775 O VAL A 81 17.974 -18.544 -13.296 1.00 5.28 O ATOM 776 CB VAL A 81 14.734 -19.526 -13.292 1.00 4.92 C ATOM 779 N LYS A 82 16.721 -17.999 -15.102 1.00 4.85 N ATOM 780 CA LYS A 82 17.328 -16.694 -15.368 1.00 4.88 C ATOM 781 C LYS A 82 16.318 -15.644 -14.931 1.00 4.61 C ATOM 782 O LYS A 82 15.188 -15.656 -15.433 1.00 5.43 O ATOM 783 CB LYS A 82 17.636 -16.519 -16.856 1.00 5.89 C ATOM 788 N SER A 83 16.716 -14.763 -14.030 1.00 4.44 N ATOM 789 CA SER A 83 15.791 -13.835 -13.380 1.00 4.30 C ATOM 790 C SER A 83 16.193 -12.397 -13.596 1.00 4.23 C ATOM 791 O SER A 83 17.367 -12.062 -13.719 1.00 4.79 O ATOM 792 CB SER A 83 15.750 -14.122 -11.892 1.00 4.56 C ATOM 794 N ILE A 84 15.181 -11.525 -13.556 1.00 4.59 N ATOM 795 CA ILE A 84 15.427 -10.087 -13.513 1.00 4.87 C ATOM 796 C ILE A 84 14.298 -9.478 -12.693 1.00 5.33 C ATOM 797 O ILE A 84 13.142 -9.901 -12.819 1.00 6.67 O ATOM 798 CB ILE A 84 15.555 -9.494 -14.929 1.00 6.36 C ATOM 802 N VAL A 85 14.649 -8.491 -11.878 1.00 5.22 N ATOM 803 CA VAL A 85 13.679 -7.754 -11.057 1.00 5.57 C ATOM 804 C VAL A 85 13.783 -6.290 -11.435 1.00 6.35 C ATOM 805 O VAL A 85 14.877 -5.734 -11.499 1.00 7.99 O ATOM 806 CB VAL A 85 13.940 -7.952 -9.562 1.00 5.55 C ATOM 809 N ATHR A 86 12.641 -5.627 -11.632 0.46 6.38 N ATOM 811 CA ATHR A 86 12.589 -4.205 -11.996 0.46 6.90 C ATOM 813 C ATHR A 86 11.382 -3.538 -11.348 0.46 6.47 C ATOM 815 O ATHR A 86 10.390 -4.202 -11.088 0.46 9.29 O ATOM 817 CB ATHR A 86 12.463 -4.059 -13.511 0.46 9.82 C ATOM 823 N ALEU A 87 11.430 -2.228 -11.208 0.56 7.20 N ATOM 825 CA ALEU A 87 10.217 -1.469 -10.874 0.56 6.75 C ATOM 827 C ALEU A 87 9.473 -1.120 -12.148 0.56 6.60 C ATOM 829 O ALEU A 87 10.063 -0.610 -13.099 0.56 7.55 O ATOM 831 CB ALEU A 87 10.605 -0.214 -10.113 0.56 7.19 C ATOM 839 N ASP A 88 8.170 -1.350 -12.127 1.00 6.81 N ATOM 840 CA ASP A 88 7.331 -1.148 -13.320 1.00 7.42 C ATOM 841 C ASP A 88 5.977 -0.691 -12.804 1.00 7.96 C ATOM 842 O ASP A 88 5.293 -1.464 -12.140 1.00 9.08 O ATOM 843 CB ASP A 88 7.273 -2.460 -14.100 1.00 10.54 C ATOM 847 N GLY A 89 5.604 0.552 -13.101 1.00 9.22 N ATOM 848 CA GLY A 89 4.311 1.071 -12.620 1.00 36.53 C ATOM 849 C GLY A 89 4.235 1.040 -11.105 1.00 51.56 C ATOM 850 O GLY A 89 3.134 0.825 -10.576 1.00102.79 O ATOM 851 N GLY A 90 5.376 1.213 -10.432 1.00 12.68 N ATOM 852 CA GLY A 90 5.420 1.205 -8.955 1.00 11.19 C ATOM 853 C GLY A 90 5.404 -0.193 -8.350 1.00 10.01 C ATOM 854 O GLY A 90 5.414 -0.298 -7.118 1.00 12.84 O ATOM 855 N LYS A 91 5.385 -1.230 -9.179 1.00 8.11 N ATOM 856 CA LYS A 91 5.367 -2.619 -8.725 1.00 7.52 C ATOM 857 C LYS A 91 6.773 -3.197 -8.877 1.00 6.74 C ATOM 858 O LYS A 91 7.486 -2.885 -9.836 1.00 7.79 O ATOM 859 CB LYS A 91 4.396 -3.434 -9.560 1.00 8.20 C ATOM 864 N ALEU A 92 7.112 -4.091 -7.976 0.59 5.88 N ATOM 866 CA ALEU A 92 8.380 -4.806 -8.051 0.59 5.98 C ATOM 868 C ALEU A 92 8.104 -6.073 -8.872 0.59 5.67 C ATOM 870 O ALEU A 92 7.347 -6.933 -8.398 0.59 6.50 O ATOM 872 CB ALEU A 92 8.835 -5.030 -6.610 0.59 6.85 C ATOM 880 N VAL A 93 8.607 -6.164 -10.103 1.00 6.02 N ATOM 881 CA VAL A 93 8.286 -7.245 -11.038 1.00 6.12 C ATOM 882 C VAL A 93 9.502 -8.158 -11.155 1.00 6.11 C ATOM 883 O VAL A 93 10.547 -7.712 -11.621 1.00 7.89 O ATOM 884 CB VAL A 93 7.890 -6.692 -12.419 1.00 7.14 C ATOM 887 N HIS A 94 9.324 -9.404 -10.770 1.00 5.39 N ATOM 888 CA HIS A 94 10.367 -10.437 -10.854 1.00 5.54 C ATOM 889 C HIS A 94 9.945 -11.410 -11.954 1.00 5.40 C ATOM 890 O HIS A 94 8.902 -12.054 -11.843 1.00 6.38 O ATOM 891 CB HIS A 94 10.484 -11.102 -9.494 1.00 5.65 C ATOM 897 N LEU A 95 10.736 -11.478 -13.027 1.00 5.53 N ATOM 898 CA LEU A 95 10.491 -12.386 -14.151 1.00 5.39 C ATOM 899 C LEU A 95 11.534 -13.498 -14.090 1.00 4.84 C ATOM 900 O LEU A 95 12.732 -13.203 -14.033 1.00 5.64 O ATOM 901 CB LEU A 95 10.652 -11.617 -15.470 1.00 6.80 C ATOM 905 N GLN A 96 11.068 -14.739 -14.139 1.00 4.66 N ATOM 906 CA GLN A 96 11.919 -15.933 -14.224 1.00 4.60 C ATOM 907 C GLN A 96 11.690 -16.608 -15.569 1.00 4.94 C ATOM 908 O GLN A 96 10.542 -16.786 -15.980 1.00 5.76 O ATOM 909 CB GLN A 96 11.566 -16.939 -13.121 1.00 4.82 C ATOM 914 N ALYS A 97 12.793 -17.032 -16.174 0.40 5.32 N ATOM 916 CA ALYS A 97 12.774 -17.730 -17.464 0.40 5.82 C ATOM 918 C ALYS A 97 13.577 -19.014 -17.366 0.40 5.95 C ATOM 920 O ALYS A 97 14.711 -18.986 -16.870 0.40 6.92 O ATOM 922 CB ALYS A 97 13.444 -16.882 -18.542 0.40 7.58 C ATOM 932 N TRP A 98 13.032 -20.086 -17.913 1.00 6.05 N ATOM 933 CA TRP A 98 13.768 -21.359 -17.951 1.00 6.55 C ATOM 934 C TRP A 98 13.095 -22.250 -18.979 1.00 7.19 C ATOM 935 O TRP A 98 11.876 -22.341 -18.991 1.00 7.35 O ATOM 936 CB TRP A 98 13.826 -22.046 -16.576 1.00 7.06 C ATOM 946 N ASP A 99 13.864 -22.929 -19.804 1.00 9.61 N ATOM 947 CA ASP A 99 13.306 -23.912 -20.763 1.00 11.36 C ATOM 948 C ASP A 99 12.202 -23.274 -21.629 1.00 9.05 C ATOM 949 O ASP A 99 11.290 -23.981 -22.051 1.00 10.13 O ATOM 950 CB ASP A 99 12.792 -25.160 -20.030 1.00 14.28 C ATOM 954 N GLY A 100 12.307 -21.985 -21.914 1.00 7.91 N ATOM 955 CA GLY A 100 11.275 -21.289 -22.686 1.00 7.57 C ATOM 956 C GLY A 100 10.030 -20.902 -21.889 1.00 6.75 C ATOM 957 O GLY A 100 9.178 -20.203 -22.417 1.00 8.11 O ATOM 958 N AGLN A 101 9.920 -21.379 -20.667 0.74 6.51 N ATOM 960 CA AGLN A 101 8.832 -21.037 -19.763 0.74 6.69 C ATOM 962 C AGLN A 101 9.126 -19.701 -19.112 0.74 6.29 C ATOM 964 O AGLN A 101 10.273 -19.269 -18.973 0.74 6.58 O ATOM 966 CB AGLN A 101 8.648 -22.104 -18.685 0.74 7.90 C ATOM 976 N AGLU A 102 8.068 -19.137 -18.584 0.44 5.87 N ATOM 978 CA AGLU A 102 8.219 -17.925 -17.790 0.44 5.87 C ATOM 980 C AGLU A 102 7.214 -17.928 -16.664 0.44 5.62 C ATOM 982 O AGLU A 102 6.123 -18.519 -16.789 0.44 6.04 O ATOM 984 CB AGLU A 102 7.982 -16.658 -18.595 0.44 7.20 C ATOM 994 N THR A 103 7.587 -17.164 -15.647 1.00 5.72 N ATOM 995 CA THR A 103 6.660 -16.859 -14.567 1.00 5.15 C ATOM 996 C THR A 103 7.016 -15.493 -14.016 1.00 4.91 C ATOM 997 O THR A 103 8.186 -15.113 -13.995 1.00 5.59 O ATOM 998 CB THR A 103 6.641 -17.958 -13.496 1.00 5.49 C ATOM 1001 N THR A 104 5.994 -14.762 -13.573 1.00 4.96 N ATOM 1002 CA THR A 104 6.204 -13.485 -12.907 1.00 5.13 C ATOM 1003 C THR A 104 5.722 -13.561 -11.463 1.00 4.55 C ATOM 1004 O THR A 104 4.703 -14.179 -11.140 1.00 5.00 O ATOM 1005 CB THR A 104 5.519 -12.330 -13.640 1.00 6.83 C ATOM 1008 N LEU A 105 6.484 -12.862 -10.622 1.00 4.51 N ATOM 1009 CA LEU A 105 6.189 -12.652 -9.207 1.00 4.41 C ATOM 1010 C LEU A 105 6.147 -11.145 -9.042 1.00 4.52 C ATOM 1011 O LEU A 105 7.199 -10.487 -9.130 1.00 5.41 O ATOM 1012 CB LEU A 105 7.247 -13.287 -8.294 1.00 5.11 C ATOM 1016 N VAL A 106 4.949 -10.589 -8.893 1.00 4.64 N ATOM 1017 CA VAL A 106 4.758 -9.146 -8.928 1.00 4.98 C ATOM 1018 C VAL A 106 4.315 -8.706 -7.543 1.00 4.81 C ATOM 1019 O VAL A 106 3.355 -9.250 -7.003 1.00 6.36 O ATOM 1020 CB VAL A 106 3.709 -8.764 -9.986 1.00 6.09 C ATOM 1023 N ARG A 107 5.005 -7.715 -6.980 1.00 4.68 N ATOM 1024 CA ARG A 107 4.657 -7.187 -5.669 1.00 4.88 C ATOM 1025 C ARG A 107 4.201 -5.747 -5.808 1.00 5.25 C ATOM 1026 O ARG A 107 4.847 -4.930 -6.467 1.00 5.87 O ATOM 1027 CB ARG A 107 5.850 -7.298 -4.712 1.00 5.28 C ATOM 1034 N AGLU A 108 3.076 -5.433 -5.163 0.40 6.08 N ATOM 1036 CA AGLU A 108 2.444 -4.099 -5.197 0.40 7.10 C ATOM 1038 C AGLU A 108 1.981 -3.767 -3.781 0.40 7.13 C ATOM 1040 O AGLU A 108 1.503 -4.665 -3.091 0.40 9.77 O ATOM 1042 CB AGLU A 108 1.282 -4.063 -6.191 0.40 8.60 C ATOM 1052 N LEU A 109 2.075 -2.504 -3.374 1.00 7.55 N ATOM 1053 CA LEU A 109 1.555 -2.071 -2.080 1.00 8.33 C ATOM 1054 C LEU A 109 0.162 -1.502 -2.282 1.00 9.79 C ATOM 1055 O LEU A 109 -0.046 -0.614 -3.097 1.00 12.23 O ATOM 1056 CB LEU A 109 2.507 -1.021 -1.507 1.00 10.84 C ATOM 1060 N ILE A 110 -0.793 -2.062 -1.539 1.00 11.90 N ATOM 1061 CA ILE A 110 -2.216 -1.618 -1.587 1.00 29.28 C ATOM 1062 C ILE A 110 -2.683 -1.443 -0.144 1.00 77.19 C ATOM 1063 O ILE A 110 -2.708 -2.432 0.594 1.00 45.15 O ATOM 1064 CB ILE A 110 -3.107 -2.631 -2.332 1.00 26.81 C ATOM 1068 N ASP A 111 -2.934 -0.195 0.262 1.00108.48 N ATOM 1069 CA ASP A 111 -3.397 0.123 1.641 1.00170.13 C ATOM 1070 C ASP A 111 -2.418 -0.412 2.694 1.00238.44 C ATOM 1071 O ASP A 111 -2.888 -0.956 3.703 1.00238.93 O ATOM 1072 CB ASP A 111 -4.821 -0.377 1.883 1.00188.63 C ATOM 1076 N GLY A 112 -1.109 -0.327 2.432 1.00152.22 N ATOM 1077 CA GLY A 112 -0.078 -0.771 3.388 1.00137.31 C ATOM 1078 C GLY A 112 0.190 -2.269 3.359 1.00 70.28 C ATOM 1079 O GLY A 112 1.111 -2.691 4.063 1.00 86.51 O ATOM 1080 N LYS A 113 -0.549 -3.039 2.555 1.00 20.94 N ATOM 1081 CA LYS A 113 -0.311 -4.500 2.465 1.00 11.82 C ATOM 1082 C LYS A 113 0.541 -4.762 1.219 1.00 7.97 C ATOM 1083 O LYS A 113 0.351 -4.044 0.222 1.00 10.29 O ATOM 1084 CB LYS A 113 -1.648 -5.240 2.397 1.00 57.93 C ATOM 1089 N ALEU A 114 1.298 -5.764 1.269 0.50 7.14 N ATOM 1091 CA ALEU A 114 2.093 -6.160 0.103 0.50 6.80 C ATOM 1093 C ALEU A 114 1.360 -7.317 -0.571 0.50 6.40 C ATOM 1095 O ALEU A 114 1.163 -8.390 0.027 0.50 7.46 O ATOM 1097 CB ALEU A 114 3.501 -6.528 0.555 0.50 7.01 C ATOM 1105 N ILE A 115 0.965 -7.074 -1.803 1.00 6.05 N ATOM 1106 CA ILE A 115 0.214 -8.050 -2.592 1.00 5.83 C ATOM 1107 C ILE A 115 1.189 -8.658 -3.597 1.00 5.04 C ATOM 1108 O ILE A 115 1.746 -7.945 -4.443 1.00 6.07 O ATOM 1109 CB ILE A 115 -0.974 -7.398 -3.311 1.00 7.27 C ATOM 1113 N LEU A 116 1.360 -9.966 -3.492 1.00 4.77 N ATOM 1114 CA LEU A 116 2.230 -10.761 -4.369 1.00 4.44 C ATOM 1115 C LEU A 116 1.340 -11.537 -5.336 1.00 4.24 C ATOM 1116 O LEU A 116 0.538 -12.372 -4.902 1.00 4.94 O ATOM 1117 CB LEU A 116 3.050 -11.713 -3.492 1.00 5.09 C ATOM 1121 N THR A 117 1.477 -11.251 -6.626 1.00 4.12 N ATOM 1122 CA THR A 117 0.725 -11.954 -7.655 1.00 4.32 C ATOM 1123 C THR A 117 1.703 -12.845 -8.425 1.00 4.04 C ATOM 1124 O THR A 117 2.699 -12.345 -8.974 1.00 4.77 O ATOM 1125 CB THR A 117 0.016 -10.986 -8.613 1.00 5.20 C ATOM 1128 N ALEU A 118 1.404 -14.130 -8.458 0.72 4.03 N ATOM 1130 CA ALEU A 118 2.245 -15.153 -9.094 0.72 4.08 C ATOM 1132 C ALEU A 118 1.491 -15.667 -10.319 0.72 4.27 C ATOM 1134 O ALEU A 118 0.379 -16.179 -10.179 0.72 4.86 O ATOM 1136 CB ALEU A 118 2.434 -16.313 -8.115 0.72 4.47 C ATOM 1144 N THR A 119 2.102 -15.566 -11.498 1.00 4.22 N ATOM 1145 CA THR A 119 1.433 -15.991 -12.733 1.00 4.86 C ATOM 1146 C THR A 119 2.324 -16.979 -13.469 1.00 4.92 C ATOM 1147 O THR A 119 3.498 -16.665 -13.737 1.00 5.34 O ATOM 1148 CB THR A 119 1.134 -14.795 -13.646 1.00 6.04 C ATOM 1151 N HIS A 120 1.788 -18.134 -13.828 1.00 5.37 N ATOM 1152 CA HIS A 120 2.488 -19.103 -14.691 1.00 5.75 C ATOM 1153 C HIS A 120 1.412 -19.830 -15.483 1.00 6.23 C ATOM 1154 O HIS A 120 0.428 -20.289 -14.893 1.00 6.51 O ATOM 1155 CB HIS A 120 3.290 -20.117 -13.868 1.00 6.03 C ATOM 1161 N GLY A 121 1.607 -19.949 -16.779 1.00 7.71 N ATOM 1162 CA GLY A 121 0.547 -20.538 -17.590 1.00 8.64 C ATOM 1163 C GLY A 121 -0.713 -19.710 -17.421 1.00 7.57 C ATOM 1164 O GLY A 121 -0.666 -18.491 -17.536 1.00 9.07 O ATOM 1165 N THR A 122 -1.824 -20.357 -17.135 1.00 7.16 N ATOM 1166 CA THR A 122 -3.066 -19.638 -16.860 1.00 6.52 C ATOM 1167 C THR A 122 -3.258 -19.358 -15.383 1.00 6.11 C ATOM 1168 O THR A 122 -4.200 -18.641 -15.057 1.00 6.90 O ATOM 1169 CB THR A 122 -4.277 -20.433 -17.367 1.00 7.40 C ATOM 1172 N ALA A 123 -2.430 -19.935 -14.514 1.00 6.00 N ATOM 1173 CA ALA A 123 -2.607 -19.846 -13.063 1.00 6.18 C ATOM 1174 C ALA A 123 -2.191 -18.468 -12.571 1.00 5.78 C ATOM 1175 O ALA A 123 -1.104 -17.985 -12.890 1.00 6.96 O ATOM 1176 CB ALA A 123 -1.775 -20.918 -12.373 1.00 7.28 C ATOM 1177 N VAL A 124 -3.064 -17.889 -11.757 1.00 5.75 N ATOM 1178 CA VAL A 124 -2.830 -16.581 -11.129 1.00 5.61 C ATOM 1179 C VAL A 124 -3.138 -16.722 -9.645 1.00 5.43 C ATOM 1180 O VAL A 124 -4.284 -16.944 -9.250 1.00 6.86 O ATOM 1181 CB VAL A 124 -3.679 -15.468 -11.749 1.00 6.42 C ATOM 1184 N CYS A 125 -2.100 -16.585 -8.837 1.00 5.01 N ATOM 1185 CA CYS A 125 -2.192 -16.677 -7.387 1.00 4.60 C ATOM 1186 C CYS A 125 -1.965 -15.296 -6.788 1.00 4.42 C ATOM 1187 O CYS A 125 -1.082 -14.566 -7.229 1.00 4.84 O ATOM 1188 CB CYS A 125 -1.148 -17.682 -6.906 1.00 4.92 C ATOM 1190 N ATHR A 126 -2.767 -14.969 -5.774 0.75 4.30 N ATOM 1192 CA ATHR A 126 -2.631 -13.692 -5.087 0.75 4.49 C ATOM 1194 C ATHR A 126 -2.403 -13.981 -3.613 0.75 4.48 C ATOM 1196 O ATHR A 126 -3.270 -14.578 -2.963 0.75 4.73 O ATOM 1198 CB ATHR A 126 -3.880 -12.832 -5.270 0.75 5.47 C ATOM 1204 N AARG A 127 -1.270 -13.518 -3.104 0.71 4.33 N ATOM 1206 CA AARG A 127 -0.907 -13.703 -1.698 0.71 4.31 C ATOM 1208 C AARG A 127 -0.703 -12.331 -1.069 0.71 5.37 C ATOM 1210 O AARG A 127 -0.018 -11.461 -1.609 0.71 9.43 O ATOM 1212 CB AARG A 127 0.357 -14.565 -1.596 0.71 4.15 C ATOM 1226 N THR A 128 -1.185 -12.204 0.143 1.00 4.71 N ATOM 1227 CA THR A 128 -1.140 -10.920 0.837 1.00 4.90 C ATOM 1228 C THR A 128 -0.233 -11.047 2.045 1.00 4.58 C ATOM 1229 O THR A 128 -0.392 -11.987 2.838 1.00 5.24 O ATOM 1230 CB THR A 128 -2.540 -10.496 1.282 1.00 6.23 C ATOM 1233 N TYR A 129 0.676 -10.090 2.157 1.00 5.07 N ATOM 1234 CA TYR A 129 1.601 -9.998 3.275 1.00 5.57 C ATOM 1235 C TYR A 129 1.347 -8.701 4.039 1.00 6.10 C ATOM 1236 O TYR A 129 1.034 -7.658 3.445 1.00 7.14 O ATOM 1237 CB TYR A 129 3.048 -9.988 2.729 1.00 6.19 C ATOM 1245 N AGLU A 130 1.546 -8.777 5.347 0.45 6.96 N ATOM 1247 CA AGLU A 130 1.377 -7.623 6.240 0.45 7.94 C ATOM 1249 C AGLU A 130 2.701 -7.366 6.945 0.45 7.35 C ATOM 1251 O AGLU A 130 3.425 -8.309 7.291 0.45 8.19 O ATOM 1253 CB AGLU A 130 0.234 -7.867 7.221 0.45 12.35 C ATOM 1263 N LYS A 131 2.959 -6.095 7.131 1.00 8.59 N ATOM 1264 CA LYS A 131 4.228 -5.662 7.763 1.00 12.11 C ATOM 1265 C LYS A 131 4.249 -6.179 9.202 1.00 30.35 C ATOM 1266 O LYS A 131 3.228 -6.060 9.901 1.00 30.29 O ATOM 1267 CB LYS A 131 4.322 -4.135 7.739 1.00 17.32 C ATOM 1272 N GLU A 132 5.395 -6.691 9.640 1.00 37.86 N ATOM 1273 CA GLU A 132 5.482 -7.220 11.022 1.00 11.98 C ATOM 1274 C GLU A 132 5.204 -6.087 12.015 1.00 9.04 C ATOM 1275 O GLU A 132 5.729 -4.985 11.810 1.00 11.17 O ATOM 1276 CB GLU A 132 6.873 -7.803 11.220 1.00 13.39 C ATOM 1281 N ALA A 133 4.425 -6.373 13.064 1.00 10.36 N ATOM 1282 CA ALA A 133 4.081 -5.362 14.091 1.00 10.88 C ATOM 1283 C ALA A 133 5.299 -5.015 14.956 1.00 10.32 C ATOM 1284 O ALA A 133 6.192 -5.844 15.096 1.00 13.59 O ATOM 1285 CB ALA A 133 2.936 -5.860 14.938 1.00 13.16 C TER END

Sequence

MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA

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