USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 SER OG : rot 180:sc= -0.103 USER MOD Single : A 21 THR OG1 : rot 160:sc= -0.863 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.803 K(o=-0.8,f=-0.0042) USER MOD Single : A 38 GLN : amide:sc= -0.0595 X(o=-0.059,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0263) USER MOD Single : A 51 THR OG1 : rot 6:sc= -1.12 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -37:sc= 1.05 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 140:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 268 N VAL A 18 13.716 -1.817 5.307 1.00 0.00 N ATOM 269 CA VAL A 18 13.465 -1.577 6.723 1.00 0.00 C ATOM 270 C VAL A 18 14.444 -2.357 7.596 1.00 0.00 C ATOM 271 O VAL A 18 15.091 -3.296 7.134 1.00 0.00 O ATOM 272 CB VAL A 18 12.020 -1.959 7.114 1.00 0.00 C ATOM 273 CG1 VAL A 18 11.043 -1.551 6.022 1.00 0.00 C ATOM 274 CG2 VAL A 18 11.909 -3.448 7.403 1.00 0.00 C ATOM 0 HA VAL A 18 13.606 -0.509 6.892 1.00 0.00 H new ATOM 0 HB VAL A 18 11.763 -1.418 8.025 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.031 -1.829 6.317 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.094 -0.473 5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.303 -2.059 5.093 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.882 -3.690 7.676 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.191 -4.013 6.515 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.574 -3.709 8.226 1.00 0.00 H new ATOM 284 N SER A 19 14.541 -1.965 8.864 1.00 0.00 N ATOM 285 CA SER A 19 15.435 -2.632 9.803 1.00 0.00 C ATOM 286 C SER A 19 15.001 -4.079 10.015 1.00 0.00 C ATOM 287 O SER A 19 13.869 -4.446 9.702 1.00 0.00 O ATOM 288 CB SER A 19 15.454 -1.888 11.140 1.00 0.00 C ATOM 289 OG SER A 19 15.420 -2.790 12.231 1.00 0.00 O ATOM 0 H SER A 19 14.012 -1.190 9.263 1.00 0.00 H new ATOM 0 HA SER A 19 16.441 -2.626 9.384 1.00 0.00 H new ATOM 0 HB2 SER A 19 16.351 -1.271 11.203 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.599 -1.214 11.196 1.00 0.00 H new ATOM 0 HG SER A 19 15.435 -2.287 13.072 1.00 0.00 H new ATOM 295 N PHE A 20 15.905 -4.898 10.542 1.00 0.00 N ATOM 296 CA PHE A 20 15.601 -6.303 10.784 1.00 0.00 C ATOM 297 C PHE A 20 15.491 -6.601 12.274 1.00 0.00 C ATOM 298 O PHE A 20 16.188 -5.999 13.092 1.00 0.00 O ATOM 299 CB PHE A 20 16.665 -7.198 10.147 1.00 0.00 C ATOM 300 CG PHE A 20 16.328 -7.620 8.743 1.00 0.00 C ATOM 301 CD1 PHE A 20 15.012 -7.847 8.370 1.00 0.00 C ATOM 302 CD2 PHE A 20 17.326 -7.787 7.799 1.00 0.00 C ATOM 303 CE1 PHE A 20 14.699 -8.232 7.082 1.00 0.00 C ATOM 304 CE2 PHE A 20 17.020 -8.170 6.508 1.00 0.00 C ATOM 305 CZ PHE A 20 15.705 -8.394 6.148 1.00 0.00 C ATOM 0 H PHE A 20 16.848 -4.615 10.808 1.00 0.00 H new ATOM 0 HA PHE A 20 14.635 -6.515 10.325 1.00 0.00 H new ATOM 0 HB2 PHE A 20 17.618 -6.669 10.141 1.00 0.00 H new ATOM 0 HB3 PHE A 20 16.798 -8.087 10.764 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.222 -7.721 9.096 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.356 -7.616 8.075 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.670 -8.406 6.804 1.00 0.00 H new ATOM 0 HE2 PHE A 20 17.808 -8.294 5.780 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.464 -8.695 5.139 1.00 0.00 H new ATOM 315 N THR A 21 14.608 -7.532 12.616 1.00 0.00 N ATOM 316 CA THR A 21 14.397 -7.916 14.008 1.00 0.00 C ATOM 317 C THR A 21 14.056 -9.397 14.124 1.00 0.00 C ATOM 318 O THR A 21 13.639 -10.026 13.152 1.00 0.00 O ATOM 319 CB THR A 21 13.267 -7.092 14.653 1.00 0.00 C ATOM 320 OG1 THR A 21 12.117 -7.081 13.799 1.00 0.00 O ATOM 321 CG2 THR A 21 13.720 -5.664 14.916 1.00 0.00 C ATOM 0 H THR A 21 14.025 -8.036 11.948 1.00 0.00 H new ATOM 0 HA THR A 21 15.330 -7.717 14.535 1.00 0.00 H new ATOM 0 HB THR A 21 13.009 -7.557 15.604 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.322 -6.848 14.323 1.00 0.00 H new ATOM 0 HG21 THR A 21 12.905 -5.102 15.372 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.576 -5.672 15.590 1.00 0.00 H new ATOM 0 HG23 THR A 21 14.004 -5.193 13.975 1.00 0.00 H new ATOM 329 N GLY A 22 14.236 -9.948 15.321 1.00 0.00 N ATOM 330 CA GLY A 22 13.942 -11.352 15.545 1.00 0.00 C ATOM 331 C GLY A 22 15.068 -12.260 15.089 1.00 0.00 C ATOM 332 O GLY A 22 15.079 -13.450 15.403 1.00 0.00 O ATOM 0 H GLY A 22 14.580 -9.447 16.140 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.754 -11.516 16.606 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.028 -11.618 15.015 1.00 0.00 H new ATOM 336 N GLY A 23 16.016 -11.696 14.346 1.00 0.00 N ATOM 337 CA GLY A 23 17.137 -12.478 13.859 1.00 0.00 C ATOM 338 C GLY A 23 18.297 -12.498 14.833 1.00 0.00 C ATOM 339 O GLY A 23 18.379 -11.656 15.728 1.00 0.00 O ATOM 0 H GLY A 23 16.027 -10.713 14.073 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.808 -13.500 13.670 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.474 -12.070 12.906 1.00 0.00 H new ATOM 343 N LYS A 24 19.194 -13.463 14.663 1.00 0.00 N ATOM 344 CA LYS A 24 20.355 -13.591 15.535 1.00 0.00 C ATOM 345 C LYS A 24 21.545 -12.820 14.974 1.00 0.00 C ATOM 346 O LYS A 24 22.504 -13.413 14.478 1.00 0.00 O ATOM 347 CB LYS A 24 20.724 -15.066 15.715 1.00 0.00 C ATOM 348 CG LYS A 24 20.145 -15.688 16.976 1.00 0.00 C ATOM 349 CD LYS A 24 21.160 -15.700 18.107 1.00 0.00 C ATOM 350 CE LYS A 24 21.446 -17.115 18.584 1.00 0.00 C ATOM 351 NZ LYS A 24 22.506 -17.771 17.769 1.00 0.00 N ATOM 0 H LYS A 24 19.139 -14.169 13.928 1.00 0.00 H new ATOM 0 HA LYS A 24 20.098 -13.168 16.506 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.374 -15.628 14.849 1.00 0.00 H new ATOM 0 HB3 LYS A 24 21.810 -15.160 15.739 1.00 0.00 H new ATOM 0 HG2 LYS A 24 19.261 -15.131 17.285 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.822 -16.707 16.765 1.00 0.00 H new ATOM 0 HD2 LYS A 24 22.086 -15.234 17.771 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.786 -15.103 18.939 1.00 0.00 H new ATOM 0 HE2 LYS A 24 21.754 -17.091 19.629 1.00 0.00 H new ATOM 0 HE3 LYS A 24 20.532 -17.707 18.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 22.672 -18.734 18.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 22.201 -17.817 16.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 23.386 -17.221 17.836 1.00 0.00 H new ATOM 365 N ALA A 25 21.476 -11.494 15.056 1.00 0.00 N ATOM 366 CA ALA A 25 22.547 -10.639 14.559 1.00 0.00 C ATOM 367 C ALA A 25 23.888 -11.026 15.172 1.00 0.00 C ATOM 368 O ALA A 25 24.009 -11.159 16.390 1.00 0.00 O ATOM 369 CB ALA A 25 22.235 -9.179 14.851 1.00 0.00 C ATOM 0 H ALA A 25 20.688 -10.989 15.462 1.00 0.00 H new ATOM 0 HA ALA A 25 22.616 -10.777 13.480 1.00 0.00 H new ATOM 0 HB1 ALA A 25 23.043 -8.552 14.474 1.00 0.00 H new ATOM 0 HB2 ALA A 25 21.302 -8.901 14.361 1.00 0.00 H new ATOM 0 HB3 ALA A 25 22.136 -9.036 15.927 1.00 0.00 H new ATOM 375 N ILE A 26 24.894 -11.202 14.321 1.00 0.00 N ATOM 376 CA ILE A 26 26.227 -11.570 14.786 1.00 0.00 C ATOM 377 C ILE A 26 26.972 -10.348 15.305 1.00 0.00 C ATOM 378 O ILE A 26 27.916 -10.467 16.087 1.00 0.00 O ATOM 379 CB ILE A 26 27.058 -12.231 13.668 1.00 0.00 C ATOM 380 CG1 ILE A 26 27.290 -11.248 12.517 1.00 0.00 C ATOM 381 CG2 ILE A 26 26.362 -13.487 13.165 1.00 0.00 C ATOM 382 CD1 ILE A 26 28.735 -10.833 12.356 1.00 0.00 C ATOM 0 H ILE A 26 24.812 -11.096 13.310 1.00 0.00 H new ATOM 0 HA ILE A 26 26.095 -12.290 15.594 1.00 0.00 H new ATOM 0 HB ILE A 26 28.028 -12.512 14.078 1.00 0.00 H new ATOM 0 HG12 ILE A 26 26.946 -11.702 11.588 1.00 0.00 H new ATOM 0 HG13 ILE A 26 26.682 -10.359 12.682 1.00 0.00 H new ATOM 0 HG21 ILE A 26 26.960 -13.943 12.376 1.00 0.00 H new ATOM 0 HG22 ILE A 26 26.247 -14.193 13.987 1.00 0.00 H new ATOM 0 HG23 ILE A 26 25.380 -13.226 12.771 1.00 0.00 H new ATOM 0 HD11 ILE A 26 28.823 -10.137 11.522 1.00 0.00 H new ATOM 0 HD12 ILE A 26 29.079 -10.349 13.270 1.00 0.00 H new ATOM 0 HD13 ILE A 26 29.347 -11.713 12.159 1.00 0.00 H new ATOM 394 N SER A 27 26.536 -9.173 14.864 1.00 0.00 N ATOM 395 CA SER A 27 27.153 -7.919 15.277 1.00 0.00 C ATOM 396 C SER A 27 26.375 -6.729 14.735 1.00 0.00 C ATOM 397 O SER A 27 25.737 -6.815 13.686 1.00 0.00 O ATOM 398 CB SER A 27 28.602 -7.857 14.798 1.00 0.00 C ATOM 399 OG SER A 27 29.370 -6.978 15.602 1.00 0.00 O ATOM 0 H SER A 27 25.754 -9.063 14.218 1.00 0.00 H new ATOM 0 HA SER A 27 27.137 -7.876 16.366 1.00 0.00 H new ATOM 0 HB2 SER A 27 29.040 -8.855 14.825 1.00 0.00 H new ATOM 0 HB3 SER A 27 28.631 -7.524 13.760 1.00 0.00 H new ATOM 0 HG SER A 27 30.294 -6.958 15.275 1.00 0.00 H new ATOM 405 N GLU A 28 26.429 -5.622 15.463 1.00 0.00 N ATOM 406 CA GLU A 28 25.727 -4.409 15.067 1.00 0.00 C ATOM 407 C GLU A 28 26.577 -3.181 15.369 1.00 0.00 C ATOM 408 O GLU A 28 27.239 -3.115 16.405 1.00 0.00 O ATOM 409 CB GLU A 28 24.391 -4.306 15.803 1.00 0.00 C ATOM 410 CG GLU A 28 23.917 -5.619 16.408 1.00 0.00 C ATOM 411 CD GLU A 28 23.597 -5.499 17.885 1.00 0.00 C ATOM 412 OE1 GLU A 28 24.544 -5.488 18.699 1.00 0.00 O ATOM 413 OE2 GLU A 28 22.400 -5.417 18.228 1.00 0.00 O ATOM 0 H GLU A 28 26.954 -5.539 16.334 1.00 0.00 H new ATOM 0 HA GLU A 28 25.540 -4.455 13.994 1.00 0.00 H new ATOM 0 HB2 GLU A 28 24.481 -3.563 16.596 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.633 -3.942 15.110 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.030 -5.961 15.875 1.00 0.00 H new ATOM 0 HG3 GLU A 28 24.686 -6.378 16.267 1.00 0.00 H new ATOM 420 N ALA A 29 26.560 -2.210 14.463 1.00 0.00 N ATOM 421 CA ALA A 29 27.337 -0.988 14.645 1.00 0.00 C ATOM 422 C ALA A 29 26.473 0.254 14.462 1.00 0.00 C ATOM 423 O ALA A 29 26.029 0.555 13.356 1.00 0.00 O ATOM 424 CB ALA A 29 28.510 -0.960 13.679 1.00 0.00 C ATOM 0 H ALA A 29 26.020 -2.244 13.599 1.00 0.00 H new ATOM 0 HA ALA A 29 27.717 -0.983 15.667 1.00 0.00 H new ATOM 0 HB1 ALA A 29 29.081 -0.043 13.826 1.00 0.00 H new ATOM 0 HB2 ALA A 29 29.153 -1.821 13.862 1.00 0.00 H new ATOM 0 HB3 ALA A 29 28.139 -0.996 12.655 1.00 0.00 H new ATOM 430 N LYS A 30 26.249 0.979 15.555 1.00 0.00 N ATOM 431 CA LYS A 30 25.446 2.196 15.515 1.00 0.00 C ATOM 432 C LYS A 30 26.126 3.261 14.660 1.00 0.00 C ATOM 433 O LYS A 30 26.854 4.112 15.174 1.00 0.00 O ATOM 434 CB LYS A 30 25.218 2.728 16.931 1.00 0.00 C ATOM 435 CG LYS A 30 23.771 3.092 17.221 1.00 0.00 C ATOM 436 CD LYS A 30 23.633 3.813 18.552 1.00 0.00 C ATOM 437 CE LYS A 30 23.859 5.309 18.400 1.00 0.00 C ATOM 438 NZ LYS A 30 23.127 6.090 19.435 1.00 0.00 N ATOM 0 H LYS A 30 26.613 0.744 16.479 1.00 0.00 H new ATOM 0 HA LYS A 30 24.481 1.955 15.068 1.00 0.00 H new ATOM 0 HB2 LYS A 30 25.545 1.976 17.649 1.00 0.00 H new ATOM 0 HB3 LYS A 30 25.843 3.608 17.084 1.00 0.00 H new ATOM 0 HG2 LYS A 30 23.387 3.726 16.421 1.00 0.00 H new ATOM 0 HG3 LYS A 30 23.162 2.188 17.231 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.640 3.634 18.963 1.00 0.00 H new ATOM 0 HD3 LYS A 30 24.351 3.406 19.264 1.00 0.00 H new ATOM 0 HE2 LYS A 30 24.925 5.524 18.470 1.00 0.00 H new ATOM 0 HE3 LYS A 30 23.534 5.626 17.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 23.307 7.105 19.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 22.107 5.905 19.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 23.455 5.806 20.380 1.00 0.00 H new ATOM 452 N ALA A 31 25.887 3.205 13.354 1.00 0.00 N ATOM 453 CA ALA A 31 26.481 4.160 12.426 1.00 0.00 C ATOM 454 C ALA A 31 25.409 4.981 11.719 1.00 0.00 C ATOM 455 O ALA A 31 24.313 4.490 11.449 1.00 0.00 O ATOM 456 CB ALA A 31 27.347 3.433 11.408 1.00 0.00 C ATOM 0 H ALA A 31 25.286 2.508 12.914 1.00 0.00 H new ATOM 0 HA ALA A 31 27.106 4.845 12.999 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.785 4.156 10.720 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.142 2.896 11.925 1.00 0.00 H new ATOM 0 HB3 ALA A 31 26.735 2.726 10.849 1.00 0.00 H new ATOM 462 N ALA A 32 25.737 6.233 11.416 1.00 0.00 N ATOM 463 CA ALA A 32 24.806 7.124 10.735 1.00 0.00 C ATOM 464 C ALA A 32 24.880 6.933 9.224 1.00 0.00 C ATOM 465 O ALA A 32 24.218 7.641 8.465 1.00 0.00 O ATOM 466 CB ALA A 32 25.096 8.571 11.102 1.00 0.00 C ATOM 0 H ALA A 32 26.641 6.653 11.632 1.00 0.00 H new ATOM 0 HA ALA A 32 23.795 6.877 11.060 1.00 0.00 H new ATOM 0 HB1 ALA A 32 24.393 9.225 10.586 1.00 0.00 H new ATOM 0 HB2 ALA A 32 24.990 8.702 12.179 1.00 0.00 H new ATOM 0 HB3 ALA A 32 26.113 8.825 10.804 1.00 0.00 H new ATOM 472 N SER A 33 25.690 5.969 8.797 1.00 0.00 N ATOM 473 CA SER A 33 25.856 5.679 7.377 1.00 0.00 C ATOM 474 C SER A 33 26.226 4.216 7.162 1.00 0.00 C ATOM 475 O SER A 33 27.105 3.683 7.841 1.00 0.00 O ATOM 476 CB SER A 33 26.930 6.585 6.771 1.00 0.00 C ATOM 477 OG SER A 33 26.348 7.615 5.991 1.00 0.00 O ATOM 0 H SER A 33 26.242 5.375 9.415 1.00 0.00 H new ATOM 0 HA SER A 33 24.906 5.872 6.878 1.00 0.00 H new ATOM 0 HB2 SER A 33 27.532 7.023 7.567 1.00 0.00 H new ATOM 0 HB3 SER A 33 27.603 5.992 6.152 1.00 0.00 H new ATOM 0 HG SER A 33 27.055 8.181 5.616 1.00 0.00 H new ATOM 483 N SER A 34 25.551 3.573 6.215 1.00 0.00 N ATOM 484 CA SER A 34 25.808 2.170 5.908 1.00 0.00 C ATOM 485 C SER A 34 27.248 1.962 5.479 1.00 0.00 C ATOM 486 O SER A 34 27.827 0.900 5.710 1.00 0.00 O ATOM 487 CB SER A 34 24.875 1.695 4.803 1.00 0.00 C ATOM 488 OG SER A 34 25.363 0.511 4.196 1.00 0.00 O ATOM 0 H SER A 34 24.821 4.001 5.646 1.00 0.00 H new ATOM 0 HA SER A 34 25.626 1.589 6.812 1.00 0.00 H new ATOM 0 HB2 SER A 34 23.882 1.514 5.214 1.00 0.00 H new ATOM 0 HB3 SER A 34 24.770 2.477 4.050 1.00 0.00 H new ATOM 0 HG SER A 34 24.745 0.226 3.491 1.00 0.00 H new ATOM 494 N GLN A 35 27.822 2.980 4.851 1.00 0.00 N ATOM 495 CA GLN A 35 29.199 2.912 4.393 1.00 0.00 C ATOM 496 C GLN A 35 30.108 2.484 5.539 1.00 0.00 C ATOM 497 O GLN A 35 31.051 1.713 5.350 1.00 0.00 O ATOM 498 CB GLN A 35 29.627 4.269 3.833 1.00 0.00 C ATOM 499 CG GLN A 35 31.128 4.514 3.876 1.00 0.00 C ATOM 500 CD GLN A 35 31.870 3.788 2.770 1.00 0.00 C ATOM 501 OE1 GLN A 35 32.533 4.410 1.940 1.00 0.00 O ATOM 502 NE2 GLN A 35 31.762 2.465 2.752 1.00 0.00 N ATOM 0 H GLN A 35 27.353 3.863 4.648 1.00 0.00 H new ATOM 0 HA GLN A 35 29.280 2.171 3.598 1.00 0.00 H new ATOM 0 HB2 GLN A 35 29.286 4.348 2.801 1.00 0.00 H new ATOM 0 HB3 GLN A 35 29.125 5.057 4.395 1.00 0.00 H new ATOM 0 HG2 GLN A 35 31.320 5.584 3.796 1.00 0.00 H new ATOM 0 HG3 GLN A 35 31.517 4.192 4.842 1.00 0.00 H new ATOM 0 HE21 GLN A 35 31.202 1.989 3.459 1.00 0.00 H new ATOM 0 HE22 GLN A 35 32.239 1.924 2.031 1.00 0.00 H new ATOM 511 N ALA A 36 29.800 2.975 6.733 1.00 0.00 N ATOM 512 CA ALA A 36 30.569 2.633 7.920 1.00 0.00 C ATOM 513 C ALA A 36 30.234 1.218 8.374 1.00 0.00 C ATOM 514 O ALA A 36 31.059 0.537 8.986 1.00 0.00 O ATOM 515 CB ALA A 36 30.297 3.631 9.036 1.00 0.00 C ATOM 0 H ALA A 36 29.022 3.612 6.904 1.00 0.00 H new ATOM 0 HA ALA A 36 31.630 2.676 7.673 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.880 3.360 9.916 1.00 0.00 H new ATOM 0 HB2 ALA A 36 30.580 4.631 8.707 1.00 0.00 H new ATOM 0 HB3 ALA A 36 29.236 3.618 9.285 1.00 0.00 H new ATOM 521 N CYS A 37 29.017 0.776 8.061 1.00 0.00 N ATOM 522 CA CYS A 37 28.571 -0.561 8.428 1.00 0.00 C ATOM 523 C CYS A 37 29.208 -1.606 7.518 1.00 0.00 C ATOM 524 O CYS A 37 29.389 -2.758 7.909 1.00 0.00 O ATOM 525 CB CYS A 37 27.045 -0.654 8.346 1.00 0.00 C ATOM 526 SG CYS A 37 26.398 -2.354 8.435 1.00 0.00 S ATOM 0 H CYS A 37 28.324 1.327 7.554 1.00 0.00 H new ATOM 0 HA CYS A 37 28.881 -0.757 9.454 1.00 0.00 H new ATOM 0 HB2 CYS A 37 26.612 -0.069 9.157 1.00 0.00 H new ATOM 0 HB3 CYS A 37 26.714 -0.199 7.413 1.00 0.00 H new ATOM 531 N GLN A 38 29.553 -1.188 6.304 1.00 0.00 N ATOM 532 CA GLN A 38 30.176 -2.081 5.337 1.00 0.00 C ATOM 533 C GLN A 38 31.649 -2.280 5.670 1.00 0.00 C ATOM 534 O GLN A 38 32.175 -3.390 5.576 1.00 0.00 O ATOM 535 CB GLN A 38 30.032 -1.518 3.923 1.00 0.00 C ATOM 536 CG GLN A 38 28.625 -1.636 3.363 1.00 0.00 C ATOM 537 CD GLN A 38 28.423 -2.905 2.559 1.00 0.00 C ATOM 538 OE1 GLN A 38 28.630 -2.926 1.346 1.00 0.00 O ATOM 539 NE2 GLN A 38 28.015 -3.975 3.234 1.00 0.00 N ATOM 0 H GLN A 38 29.411 -0.236 5.968 1.00 0.00 H new ATOM 0 HA GLN A 38 29.671 -3.046 5.385 1.00 0.00 H new ATOM 0 HB2 GLN A 38 30.326 -0.468 3.927 1.00 0.00 H new ATOM 0 HB3 GLN A 38 30.723 -2.040 3.261 1.00 0.00 H new ATOM 0 HG2 GLN A 38 27.908 -1.612 4.184 1.00 0.00 H new ATOM 0 HG3 GLN A 38 28.416 -0.773 2.731 1.00 0.00 H new ATOM 0 HE21 GLN A 38 27.855 -3.913 4.240 1.00 0.00 H new ATOM 0 HE22 GLN A 38 27.862 -4.858 2.746 1.00 0.00 H new ATOM 548 N GLU A 39 32.310 -1.195 6.061 1.00 0.00 N ATOM 549 CA GLU A 39 33.723 -1.245 6.411 1.00 0.00 C ATOM 550 C GLU A 39 33.941 -2.063 7.678 1.00 0.00 C ATOM 551 O GLU A 39 34.941 -2.772 7.804 1.00 0.00 O ATOM 552 CB GLU A 39 34.275 0.170 6.600 1.00 0.00 C ATOM 553 CG GLU A 39 34.765 0.809 5.311 1.00 0.00 C ATOM 554 CD GLU A 39 36.250 0.605 5.087 1.00 0.00 C ATOM 555 OE1 GLU A 39 36.690 -0.563 5.052 1.00 0.00 O ATOM 556 OE2 GLU A 39 36.973 1.614 4.944 1.00 0.00 O ATOM 0 H GLU A 39 31.888 -0.270 6.143 1.00 0.00 H new ATOM 0 HA GLU A 39 34.257 -1.728 5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 39 33.498 0.799 7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 39 35.097 0.138 7.315 1.00 0.00 H new ATOM 0 HG2 GLU A 39 34.213 0.390 4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 39 34.548 1.877 5.334 1.00 0.00 H new ATOM 563 N LEU A 40 33.000 -1.969 8.611 1.00 0.00 N ATOM 564 CA LEU A 40 33.095 -2.710 9.862 1.00 0.00 C ATOM 565 C LEU A 40 32.767 -4.182 9.636 1.00 0.00 C ATOM 566 O LEU A 40 33.394 -5.065 10.220 1.00 0.00 O ATOM 567 CB LEU A 40 32.159 -2.103 10.916 1.00 0.00 C ATOM 568 CG LEU A 40 31.082 -3.042 11.468 1.00 0.00 C ATOM 569 CD1 LEU A 40 31.130 -3.073 12.988 1.00 0.00 C ATOM 570 CD2 LEU A 40 29.707 -2.615 10.982 1.00 0.00 C ATOM 0 H LEU A 40 32.166 -1.389 8.525 1.00 0.00 H new ATOM 0 HA LEU A 40 34.119 -2.640 10.230 1.00 0.00 H new ATOM 0 HB2 LEU A 40 32.764 -1.744 11.749 1.00 0.00 H new ATOM 0 HB3 LEU A 40 31.668 -1.233 10.481 1.00 0.00 H new ATOM 0 HG LEU A 40 31.278 -4.049 11.100 1.00 0.00 H new ATOM 0 HD11 LEU A 40 30.358 -3.745 13.363 1.00 0.00 H new ATOM 0 HD12 LEU A 40 32.108 -3.426 13.314 1.00 0.00 H new ATOM 0 HD13 LEU A 40 30.958 -2.070 13.378 1.00 0.00 H new ATOM 0 HD21 LEU A 40 28.953 -3.292 11.383 1.00 0.00 H new ATOM 0 HD22 LEU A 40 29.500 -1.600 11.321 1.00 0.00 H new ATOM 0 HD23 LEU A 40 29.680 -2.646 9.893 1.00 0.00 H new ATOM 582 N CYS A 41 31.783 -4.436 8.780 1.00 0.00 N ATOM 583 CA CYS A 41 31.375 -5.800 8.470 1.00 0.00 C ATOM 584 C CYS A 41 32.468 -6.522 7.689 1.00 0.00 C ATOM 585 O CYS A 41 32.609 -7.742 7.781 1.00 0.00 O ATOM 586 CB CYS A 41 30.073 -5.796 7.667 1.00 0.00 C ATOM 587 SG CYS A 41 29.951 -7.136 6.436 1.00 0.00 S ATOM 0 H CYS A 41 31.254 -3.715 8.289 1.00 0.00 H new ATOM 0 HA CYS A 41 31.209 -6.330 9.408 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.233 -5.874 8.357 1.00 0.00 H new ATOM 0 HB3 CYS A 41 29.977 -4.838 7.156 1.00 0.00 H new ATOM 592 N GLU A 42 33.239 -5.757 6.920 1.00 0.00 N ATOM 593 CA GLU A 42 34.321 -6.321 6.121 1.00 0.00 C ATOM 594 C GLU A 42 35.401 -6.921 7.015 1.00 0.00 C ATOM 595 O GLU A 42 36.020 -7.926 6.667 1.00 0.00 O ATOM 596 CB GLU A 42 34.930 -5.247 5.217 1.00 0.00 C ATOM 597 CG GLU A 42 34.297 -5.185 3.837 1.00 0.00 C ATOM 598 CD GLU A 42 35.326 -5.134 2.725 1.00 0.00 C ATOM 599 OE1 GLU A 42 35.894 -4.047 2.491 1.00 0.00 O ATOM 600 OE2 GLU A 42 35.566 -6.183 2.089 1.00 0.00 O ATOM 0 H GLU A 42 33.134 -4.746 6.834 1.00 0.00 H new ATOM 0 HA GLU A 42 33.905 -7.115 5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 42 34.826 -4.275 5.700 1.00 0.00 H new ATOM 0 HB3 GLU A 42 35.998 -5.437 5.110 1.00 0.00 H new ATOM 0 HG2 GLU A 42 33.657 -6.056 3.695 1.00 0.00 H new ATOM 0 HG3 GLU A 42 33.656 -4.305 3.775 1.00 0.00 H new ATOM 607 N LYS A 43 35.621 -6.299 8.169 1.00 0.00 N ATOM 608 CA LYS A 43 36.626 -6.773 9.113 1.00 0.00 C ATOM 609 C LYS A 43 36.148 -8.036 9.825 1.00 0.00 C ATOM 610 O LYS A 43 36.940 -8.757 10.431 1.00 0.00 O ATOM 611 CB LYS A 43 36.959 -5.678 10.132 1.00 0.00 C ATOM 612 CG LYS A 43 36.090 -5.709 11.381 1.00 0.00 C ATOM 613 CD LYS A 43 36.823 -6.340 12.553 1.00 0.00 C ATOM 614 CE LYS A 43 35.863 -7.047 13.496 1.00 0.00 C ATOM 615 NZ LYS A 43 36.542 -7.515 14.735 1.00 0.00 N ATOM 0 H LYS A 43 35.117 -5.466 8.473 1.00 0.00 H new ATOM 0 HA LYS A 43 37.530 -7.018 8.556 1.00 0.00 H new ATOM 0 HB2 LYS A 43 38.004 -5.776 10.426 1.00 0.00 H new ATOM 0 HB3 LYS A 43 36.853 -4.705 9.652 1.00 0.00 H new ATOM 0 HG2 LYS A 43 35.790 -4.694 11.642 1.00 0.00 H new ATOM 0 HG3 LYS A 43 35.177 -6.269 11.177 1.00 0.00 H new ATOM 0 HD2 LYS A 43 37.560 -7.052 12.182 1.00 0.00 H new ATOM 0 HD3 LYS A 43 37.370 -5.571 13.098 1.00 0.00 H new ATOM 0 HE2 LYS A 43 35.051 -6.370 13.761 1.00 0.00 H new ATOM 0 HE3 LYS A 43 35.414 -7.899 12.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 35.852 -7.991 15.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 37.301 -8.181 14.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 36.949 -6.700 15.237 1.00 0.00 H new ATOM 629 N ASP A 44 34.846 -8.295 9.746 1.00 0.00 N ATOM 630 CA ASP A 44 34.260 -9.469 10.382 1.00 0.00 C ATOM 631 C ASP A 44 33.921 -10.538 9.347 1.00 0.00 C ATOM 632 O ASP A 44 33.188 -10.281 8.392 1.00 0.00 O ATOM 633 CB ASP A 44 33.001 -9.079 11.159 1.00 0.00 C ATOM 634 CG ASP A 44 32.889 -9.809 12.484 1.00 0.00 C ATOM 635 OD1 ASP A 44 33.495 -9.342 13.471 1.00 0.00 O ATOM 636 OD2 ASP A 44 32.194 -10.845 12.534 1.00 0.00 O ATOM 0 H ASP A 44 34.177 -7.707 9.248 1.00 0.00 H new ATOM 0 HA ASP A 44 34.995 -9.880 11.075 1.00 0.00 H new ATOM 0 HB2 ASP A 44 33.007 -8.004 11.339 1.00 0.00 H new ATOM 0 HB3 ASP A 44 32.122 -9.296 10.553 1.00 0.00 H new ATOM 641 N ALA A 45 34.460 -11.738 9.543 1.00 0.00 N ATOM 642 CA ALA A 45 34.214 -12.845 8.627 1.00 0.00 C ATOM 643 C ALA A 45 32.915 -13.565 8.973 1.00 0.00 C ATOM 644 O ALA A 45 32.673 -14.683 8.517 1.00 0.00 O ATOM 645 CB ALA A 45 35.383 -13.818 8.651 1.00 0.00 C ATOM 0 H ALA A 45 35.070 -11.968 10.328 1.00 0.00 H new ATOM 0 HA ALA A 45 34.115 -12.438 7.621 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.186 -14.640 7.963 1.00 0.00 H new ATOM 0 HB2 ALA A 45 36.293 -13.301 8.348 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.508 -14.212 9.660 1.00 0.00 H new ATOM 651 N LYS A 46 32.083 -12.917 9.781 1.00 0.00 N ATOM 652 CA LYS A 46 30.809 -13.493 10.191 1.00 0.00 C ATOM 653 C LYS A 46 29.642 -12.680 9.641 1.00 0.00 C ATOM 654 O LYS A 46 28.489 -12.901 10.012 1.00 0.00 O ATOM 655 CB LYS A 46 30.725 -13.560 11.716 1.00 0.00 C ATOM 656 CG LYS A 46 31.506 -14.717 12.318 1.00 0.00 C ATOM 657 CD LYS A 46 30.586 -15.713 13.005 1.00 0.00 C ATOM 658 CE LYS A 46 31.255 -16.351 14.211 1.00 0.00 C ATOM 659 NZ LYS A 46 32.477 -17.112 13.831 1.00 0.00 N ATOM 0 H LYS A 46 32.269 -11.991 10.165 1.00 0.00 H new ATOM 0 HA LYS A 46 30.747 -14.503 9.785 1.00 0.00 H new ATOM 0 HB2 LYS A 46 31.098 -12.625 12.134 1.00 0.00 H new ATOM 0 HB3 LYS A 46 29.679 -13.646 12.011 1.00 0.00 H new ATOM 0 HG2 LYS A 46 32.071 -15.222 11.535 1.00 0.00 H new ATOM 0 HG3 LYS A 46 32.230 -14.334 13.037 1.00 0.00 H new ATOM 0 HD2 LYS A 46 29.672 -15.209 13.319 1.00 0.00 H new ATOM 0 HD3 LYS A 46 30.295 -16.489 12.297 1.00 0.00 H new ATOM 0 HE2 LYS A 46 31.519 -15.577 14.931 1.00 0.00 H new ATOM 0 HE3 LYS A 46 30.550 -17.020 14.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 32.875 -17.573 14.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 32.230 -17.834 13.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 33.181 -16.460 13.429 1.00 0.00 H new ATOM 673 N CYS A 47 29.950 -11.739 8.756 1.00 0.00 N ATOM 674 CA CYS A 47 28.926 -10.894 8.153 1.00 0.00 C ATOM 675 C CYS A 47 28.756 -11.214 6.672 1.00 0.00 C ATOM 676 O CYS A 47 29.728 -11.250 5.917 1.00 0.00 O ATOM 677 CB CYS A 47 29.282 -9.417 8.328 1.00 0.00 C ATOM 678 SG CYS A 47 28.453 -8.309 7.142 1.00 0.00 S ATOM 0 H CYS A 47 30.900 -11.542 8.440 1.00 0.00 H new ATOM 0 HA CYS A 47 27.983 -11.096 8.661 1.00 0.00 H new ATOM 0 HB2 CYS A 47 29.022 -9.109 9.341 1.00 0.00 H new ATOM 0 HB3 CYS A 47 30.361 -9.299 8.226 1.00 0.00 H new ATOM 683 N ARG A 48 27.511 -11.442 6.263 1.00 0.00 N ATOM 684 CA ARG A 48 27.206 -11.755 4.871 1.00 0.00 C ATOM 685 C ARG A 48 26.061 -10.886 4.363 1.00 0.00 C ATOM 686 O ARG A 48 26.065 -10.442 3.216 1.00 0.00 O ATOM 687 CB ARG A 48 26.842 -13.234 4.728 1.00 0.00 C ATOM 688 CG ARG A 48 27.799 -14.013 3.838 1.00 0.00 C ATOM 689 CD ARG A 48 28.704 -14.920 4.654 1.00 0.00 C ATOM 690 NE ARG A 48 27.945 -15.857 5.478 1.00 0.00 N ATOM 691 CZ ARG A 48 28.285 -17.131 5.653 1.00 0.00 C ATOM 692 NH1 ARG A 48 29.369 -17.617 5.065 1.00 0.00 N ATOM 693 NH2 ARG A 48 27.541 -17.917 6.418 1.00 0.00 N ATOM 0 H ARG A 48 26.697 -11.416 6.877 1.00 0.00 H new ATOM 0 HA ARG A 48 28.092 -11.548 4.272 1.00 0.00 H new ATOM 0 HB2 ARG A 48 26.824 -13.692 5.717 1.00 0.00 H new ATOM 0 HB3 ARG A 48 25.834 -13.314 4.321 1.00 0.00 H new ATOM 0 HG2 ARG A 48 27.230 -14.610 3.125 1.00 0.00 H new ATOM 0 HG3 ARG A 48 28.406 -13.318 3.258 1.00 0.00 H new ATOM 0 HD2 ARG A 48 29.359 -15.476 3.983 1.00 0.00 H new ATOM 0 HD3 ARG A 48 29.344 -14.312 5.293 1.00 0.00 H new ATOM 0 HE ARG A 48 27.106 -15.515 5.946 1.00 0.00 H new ATOM 0 HH11 ARG A 48 29.944 -17.014 4.477 1.00 0.00 H new ATOM 0 HH12 ARG A 48 29.628 -18.594 5.201 1.00 0.00 H new ATOM 0 HH21 ARG A 48 26.707 -17.545 6.873 1.00 0.00 H new ATOM 0 HH22 ARG A 48 27.802 -18.894 6.552 1.00 0.00 H new ATOM 707 N PHE A 49 25.084 -10.645 5.232 1.00 0.00 N ATOM 708 CA PHE A 49 23.929 -9.826 4.883 1.00 0.00 C ATOM 709 C PHE A 49 23.701 -8.742 5.932 1.00 0.00 C ATOM 710 O PHE A 49 22.940 -8.934 6.881 1.00 0.00 O ATOM 711 CB PHE A 49 22.678 -10.698 4.753 1.00 0.00 C ATOM 712 CG PHE A 49 22.901 -11.961 3.971 1.00 0.00 C ATOM 713 CD1 PHE A 49 23.083 -11.920 2.598 1.00 0.00 C ATOM 714 CD2 PHE A 49 22.930 -13.191 4.610 1.00 0.00 C ATOM 715 CE1 PHE A 49 23.288 -13.079 1.876 1.00 0.00 C ATOM 716 CE2 PHE A 49 23.134 -14.355 3.892 1.00 0.00 C ATOM 717 CZ PHE A 49 23.314 -14.299 2.525 1.00 0.00 C ATOM 0 H PHE A 49 25.070 -11.007 6.186 1.00 0.00 H new ATOM 0 HA PHE A 49 24.128 -9.347 3.924 1.00 0.00 H new ATOM 0 HB2 PHE A 49 22.321 -10.957 5.750 1.00 0.00 H new ATOM 0 HB3 PHE A 49 21.890 -10.118 4.273 1.00 0.00 H new ATOM 0 HD1 PHE A 49 23.064 -10.969 2.086 1.00 0.00 H new ATOM 0 HD2 PHE A 49 22.792 -13.241 5.680 1.00 0.00 H new ATOM 0 HE1 PHE A 49 23.428 -13.032 0.806 1.00 0.00 H new ATOM 0 HE2 PHE A 49 23.152 -15.307 4.401 1.00 0.00 H new ATOM 0 HZ PHE A 49 23.475 -15.207 1.963 1.00 0.00 H new ATOM 727 N PHE A 50 24.370 -7.607 5.759 1.00 0.00 N ATOM 728 CA PHE A 50 24.243 -6.497 6.696 1.00 0.00 C ATOM 729 C PHE A 50 22.842 -5.893 6.646 1.00 0.00 C ATOM 730 O PHE A 50 22.059 -6.188 5.743 1.00 0.00 O ATOM 731 CB PHE A 50 25.294 -5.423 6.396 1.00 0.00 C ATOM 732 CG PHE A 50 24.948 -4.540 5.230 1.00 0.00 C ATOM 733 CD1 PHE A 50 25.037 -5.015 3.932 1.00 0.00 C ATOM 734 CD2 PHE A 50 24.534 -3.234 5.435 1.00 0.00 C ATOM 735 CE1 PHE A 50 24.720 -4.204 2.859 1.00 0.00 C ATOM 736 CE2 PHE A 50 24.215 -2.418 4.366 1.00 0.00 C ATOM 737 CZ PHE A 50 24.308 -2.904 3.077 1.00 0.00 C ATOM 0 H PHE A 50 25.005 -7.432 4.980 1.00 0.00 H new ATOM 0 HA PHE A 50 24.410 -6.884 7.701 1.00 0.00 H new ATOM 0 HB2 PHE A 50 25.428 -4.802 7.282 1.00 0.00 H new ATOM 0 HB3 PHE A 50 26.250 -5.909 6.200 1.00 0.00 H new ATOM 0 HD1 PHE A 50 25.358 -6.031 3.756 1.00 0.00 H new ATOM 0 HD2 PHE A 50 24.460 -2.849 6.441 1.00 0.00 H new ATOM 0 HE1 PHE A 50 24.794 -4.586 1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 50 23.893 -1.402 4.539 1.00 0.00 H new ATOM 0 HZ PHE A 50 24.059 -2.268 2.240 1.00 0.00 H new ATOM 747 N THR A 51 22.536 -5.050 7.626 1.00 0.00 N ATOM 748 CA THR A 51 21.232 -4.404 7.706 1.00 0.00 C ATOM 749 C THR A 51 21.308 -3.129 8.545 1.00 0.00 C ATOM 750 O THR A 51 21.112 -3.158 9.760 1.00 0.00 O ATOM 751 CB THR A 51 20.171 -5.356 8.301 1.00 0.00 C ATOM 752 OG1 THR A 51 19.923 -6.435 7.393 1.00 0.00 O ATOM 753 CG2 THR A 51 18.868 -4.622 8.586 1.00 0.00 C ATOM 0 H THR A 51 23.176 -4.798 8.379 1.00 0.00 H new ATOM 0 HA THR A 51 20.934 -4.144 6.690 1.00 0.00 H new ATOM 0 HB THR A 51 20.558 -5.746 9.242 1.00 0.00 H new ATOM 0 HG1 THR A 51 20.550 -6.381 6.642 1.00 0.00 H new ATOM 0 HG21 THR A 51 18.142 -5.319 9.004 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.052 -3.818 9.299 1.00 0.00 H new ATOM 0 HG23 THR A 51 18.477 -4.202 7.659 1.00 0.00 H new ATOM 761 N LEU A 52 21.598 -2.012 7.884 1.00 0.00 N ATOM 762 CA LEU A 52 21.703 -0.725 8.562 1.00 0.00 C ATOM 763 C LEU A 52 20.350 -0.022 8.598 1.00 0.00 C ATOM 764 O LEU A 52 19.477 -0.292 7.773 1.00 0.00 O ATOM 765 CB LEU A 52 22.739 0.162 7.863 1.00 0.00 C ATOM 766 CG LEU A 52 22.911 1.558 8.465 1.00 0.00 C ATOM 767 CD1 LEU A 52 24.314 1.729 9.026 1.00 0.00 C ATOM 768 CD2 LEU A 52 22.617 2.627 7.423 1.00 0.00 C ATOM 0 H LEU A 52 21.765 -1.973 6.878 1.00 0.00 H new ATOM 0 HA LEU A 52 22.026 -0.905 9.587 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.703 -0.347 7.884 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.456 0.267 6.816 1.00 0.00 H new ATOM 0 HG LEU A 52 22.199 1.670 9.283 1.00 0.00 H new ATOM 0 HD11 LEU A 52 24.417 2.728 9.450 1.00 0.00 H new ATOM 0 HD12 LEU A 52 24.488 0.985 9.804 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.044 1.597 8.227 1.00 0.00 H new ATOM 0 HD21 LEU A 52 22.744 3.614 7.868 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.304 2.516 6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 52 21.592 2.518 7.069 1.00 0.00 H new ATOM 780 N ALA A 53 20.183 0.881 9.559 1.00 0.00 N ATOM 781 CA ALA A 53 18.937 1.624 9.704 1.00 0.00 C ATOM 782 C ALA A 53 19.199 3.124 9.758 1.00 0.00 C ATOM 783 O ALA A 53 20.252 3.596 9.329 1.00 0.00 O ATOM 784 CB ALA A 53 18.195 1.167 10.951 1.00 0.00 C ATOM 0 H ALA A 53 20.896 1.116 10.250 1.00 0.00 H new ATOM 0 HA ALA A 53 18.315 1.423 8.832 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.266 1.729 11.048 1.00 0.00 H new ATOM 0 HB2 ALA A 53 17.969 0.104 10.871 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.818 1.340 11.829 1.00 0.00 H new ATOM 790 N SER A 54 18.231 3.868 10.284 1.00 0.00 N ATOM 791 CA SER A 54 18.351 5.318 10.397 1.00 0.00 C ATOM 792 C SER A 54 19.622 5.706 11.149 1.00 0.00 C ATOM 793 O SER A 54 20.118 6.825 11.011 1.00 0.00 O ATOM 794 CB SER A 54 17.128 5.898 11.108 1.00 0.00 C ATOM 795 OG SER A 54 17.164 7.315 11.116 1.00 0.00 O ATOM 0 H SER A 54 17.353 3.490 10.639 1.00 0.00 H new ATOM 0 HA SER A 54 18.408 5.730 9.390 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.220 5.557 10.611 1.00 0.00 H new ATOM 0 HB3 SER A 54 17.089 5.527 12.132 1.00 0.00 H new ATOM 0 HG SER A 54 16.370 7.660 11.575 1.00 0.00 H new ATOM 801 N GLY A 55 20.143 4.775 11.942 1.00 0.00 N ATOM 802 CA GLY A 55 21.349 5.039 12.702 1.00 0.00 C ATOM 803 C GLY A 55 21.833 3.823 13.466 1.00 0.00 C ATOM 804 O GLY A 55 22.407 3.949 14.547 1.00 0.00 O ATOM 0 H GLY A 55 19.751 3.842 12.071 1.00 0.00 H new ATOM 0 HA2 GLY A 55 22.135 5.375 12.025 1.00 0.00 H new ATOM 0 HA3 GLY A 55 21.162 5.853 13.402 1.00 0.00 H new ATOM 808 N LYS A 56 21.600 2.640 12.904 1.00 0.00 N ATOM 809 CA LYS A 56 22.016 1.395 13.541 1.00 0.00 C ATOM 810 C LYS A 56 22.212 0.288 12.510 1.00 0.00 C ATOM 811 O LYS A 56 21.264 -0.130 11.846 1.00 0.00 O ATOM 812 CB LYS A 56 20.984 0.960 14.582 1.00 0.00 C ATOM 813 CG LYS A 56 21.526 -0.028 15.601 1.00 0.00 C ATOM 814 CD LYS A 56 20.563 -0.217 16.762 1.00 0.00 C ATOM 815 CE LYS A 56 21.227 -0.937 17.925 1.00 0.00 C ATOM 816 NZ LYS A 56 20.858 -0.332 19.235 1.00 0.00 N ATOM 0 H LYS A 56 21.126 2.518 12.009 1.00 0.00 H new ATOM 0 HA LYS A 56 22.970 1.575 14.036 1.00 0.00 H new ATOM 0 HB2 LYS A 56 20.614 1.842 15.105 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.132 0.511 14.071 1.00 0.00 H new ATOM 0 HG2 LYS A 56 21.707 -0.988 15.118 1.00 0.00 H new ATOM 0 HG3 LYS A 56 22.486 0.326 15.977 1.00 0.00 H new ATOM 0 HD2 LYS A 56 20.198 0.754 17.095 1.00 0.00 H new ATOM 0 HD3 LYS A 56 19.696 -0.786 16.428 1.00 0.00 H new ATOM 0 HE2 LYS A 56 20.936 -1.988 17.915 1.00 0.00 H new ATOM 0 HE3 LYS A 56 22.310 -0.905 17.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 21.331 -0.851 20.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 21.158 0.664 19.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 19.827 -0.386 19.364 1.00 0.00 H new ATOM 830 N CYS A 57 23.448 -0.184 12.386 1.00 0.00 N ATOM 831 CA CYS A 57 23.772 -1.246 11.438 1.00 0.00 C ATOM 832 C CYS A 57 23.631 -2.616 12.093 1.00 0.00 C ATOM 833 O CYS A 57 23.776 -2.751 13.307 1.00 0.00 O ATOM 834 CB CYS A 57 25.196 -1.064 10.906 1.00 0.00 C ATOM 835 SG CYS A 57 26.011 -2.616 10.410 1.00 0.00 S ATOM 0 H CYS A 57 24.243 0.152 12.930 1.00 0.00 H new ATOM 0 HA CYS A 57 23.071 -1.187 10.605 1.00 0.00 H new ATOM 0 HB2 CYS A 57 25.169 -0.391 10.049 1.00 0.00 H new ATOM 0 HB3 CYS A 57 25.799 -0.579 11.673 1.00 0.00 H new ATOM 840 N SER A 58 23.344 -3.630 11.280 1.00 0.00 N ATOM 841 CA SER A 58 23.177 -4.988 11.781 1.00 0.00 C ATOM 842 C SER A 58 23.654 -6.013 10.757 1.00 0.00 C ATOM 843 O SER A 58 22.964 -6.286 9.778 1.00 0.00 O ATOM 844 CB SER A 58 21.709 -5.242 12.111 1.00 0.00 C ATOM 845 OG SER A 58 21.496 -5.277 13.511 1.00 0.00 O ATOM 0 H SER A 58 23.223 -3.535 10.272 1.00 0.00 H new ATOM 0 HA SER A 58 23.780 -5.094 12.683 1.00 0.00 H new ATOM 0 HB2 SER A 58 21.093 -4.460 11.667 1.00 0.00 H new ATOM 0 HB3 SER A 58 21.393 -6.187 11.669 1.00 0.00 H new ATOM 0 HG SER A 58 20.547 -5.439 13.694 1.00 0.00 H new ATOM 851 N LEU A 59 24.830 -6.590 10.990 1.00 0.00 N ATOM 852 CA LEU A 59 25.370 -7.592 10.078 1.00 0.00 C ATOM 853 C LEU A 59 24.956 -8.992 10.520 1.00 0.00 C ATOM 854 O LEU A 59 25.119 -9.360 11.683 1.00 0.00 O ATOM 855 CB LEU A 59 26.896 -7.496 9.990 1.00 0.00 C ATOM 856 CG LEU A 59 27.591 -6.843 11.186 1.00 0.00 C ATOM 857 CD1 LEU A 59 28.958 -7.472 11.412 1.00 0.00 C ATOM 858 CD2 LEU A 59 27.725 -5.346 10.973 1.00 0.00 C ATOM 0 H LEU A 59 25.422 -6.383 11.795 1.00 0.00 H new ATOM 0 HA LEU A 59 24.960 -7.398 9.087 1.00 0.00 H new ATOM 0 HB2 LEU A 59 27.298 -8.501 9.864 1.00 0.00 H new ATOM 0 HB3 LEU A 59 27.155 -6.935 9.092 1.00 0.00 H new ATOM 0 HG LEU A 59 26.980 -7.010 12.073 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.440 -6.997 12.266 1.00 0.00 H new ATOM 0 HD12 LEU A 59 28.840 -8.538 11.608 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.574 -7.332 10.524 1.00 0.00 H new ATOM 0 HD21 LEU A 59 28.222 -4.899 11.834 1.00 0.00 H new ATOM 0 HD22 LEU A 59 28.315 -5.157 10.076 1.00 0.00 H new ATOM 0 HD23 LEU A 59 26.735 -4.905 10.856 1.00 0.00 H new ATOM 870 N PHE A 60 24.406 -9.762 9.587 1.00 0.00 N ATOM 871 CA PHE A 60 23.955 -11.118 9.880 1.00 0.00 C ATOM 872 C PHE A 60 24.750 -12.145 9.081 1.00 0.00 C ATOM 873 O PHE A 60 25.056 -11.932 7.908 1.00 0.00 O ATOM 874 CB PHE A 60 22.462 -11.252 9.572 1.00 0.00 C ATOM 875 CG PHE A 60 21.614 -10.229 10.273 1.00 0.00 C ATOM 876 CD1 PHE A 60 21.447 -8.961 9.739 1.00 0.00 C ATOM 877 CD2 PHE A 60 20.983 -10.536 11.468 1.00 0.00 C ATOM 878 CE1 PHE A 60 20.671 -8.020 10.383 1.00 0.00 C ATOM 879 CE2 PHE A 60 20.203 -9.596 12.116 1.00 0.00 C ATOM 880 CZ PHE A 60 20.050 -8.335 11.572 1.00 0.00 C ATOM 0 H PHE A 60 24.262 -9.470 8.620 1.00 0.00 H new ATOM 0 HA PHE A 60 24.121 -11.311 10.940 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.311 -11.163 8.496 1.00 0.00 H new ATOM 0 HB3 PHE A 60 22.127 -12.249 9.859 1.00 0.00 H new ATOM 0 HD1 PHE A 60 21.930 -8.707 8.807 1.00 0.00 H new ATOM 0 HD2 PHE A 60 21.102 -11.520 11.898 1.00 0.00 H new ATOM 0 HE1 PHE A 60 20.550 -7.036 9.955 1.00 0.00 H new ATOM 0 HE2 PHE A 60 19.714 -9.847 13.046 1.00 0.00 H new ATOM 0 HZ PHE A 60 19.445 -7.597 12.078 1.00 0.00 H new ATOM 890 N ALA A 61 25.080 -13.260 9.725 1.00 0.00 N ATOM 891 CA ALA A 61 25.840 -14.322 9.077 1.00 0.00 C ATOM 892 C ALA A 61 24.944 -15.177 8.187 1.00 0.00 C ATOM 893 O ALA A 61 24.852 -14.950 6.981 1.00 0.00 O ATOM 894 CB ALA A 61 26.534 -15.185 10.119 1.00 0.00 C ATOM 0 H ALA A 61 24.833 -13.451 10.696 1.00 0.00 H new ATOM 0 HA ALA A 61 26.596 -13.859 8.444 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.098 -15.974 9.621 1.00 0.00 H new ATOM 0 HB2 ALA A 61 27.214 -14.569 10.707 1.00 0.00 H new ATOM 0 HB3 ALA A 61 25.788 -15.632 10.777 1.00 0.00 H new ATOM 900 N ASP A 62 24.284 -16.160 8.790 1.00 0.00 N ATOM 901 CA ASP A 62 23.395 -17.051 8.054 1.00 0.00 C ATOM 902 C ASP A 62 21.936 -16.650 8.251 1.00 0.00 C ATOM 903 O ASP A 62 21.621 -15.804 9.089 1.00 0.00 O ATOM 904 CB ASP A 62 23.603 -18.498 8.502 1.00 0.00 C ATOM 905 CG ASP A 62 24.012 -19.405 7.359 1.00 0.00 C ATOM 906 OD1 ASP A 62 23.359 -19.352 6.296 1.00 0.00 O ATOM 907 OD2 ASP A 62 24.986 -20.168 7.527 1.00 0.00 O ATOM 0 H ASP A 62 24.348 -16.360 9.788 1.00 0.00 H new ATOM 0 HA ASP A 62 23.636 -16.968 6.994 1.00 0.00 H new ATOM 0 HB2 ASP A 62 24.368 -18.529 9.278 1.00 0.00 H new ATOM 0 HB3 ASP A 62 22.682 -18.873 8.948 1.00 0.00 H new ATOM 912 N ASP A 63 21.049 -17.262 7.472 1.00 0.00 N ATOM 913 CA ASP A 63 19.624 -16.971 7.559 1.00 0.00 C ATOM 914 C ASP A 63 18.978 -17.750 8.701 1.00 0.00 C ATOM 915 O ASP A 63 18.787 -18.963 8.608 1.00 0.00 O ATOM 916 CB ASP A 63 18.931 -17.312 6.238 1.00 0.00 C ATOM 917 CG ASP A 63 17.463 -16.931 6.240 1.00 0.00 C ATOM 918 OD1 ASP A 63 17.146 -15.789 6.633 1.00 0.00 O ATOM 919 OD2 ASP A 63 16.630 -17.777 5.850 1.00 0.00 O ATOM 0 H ASP A 63 21.294 -17.963 6.773 1.00 0.00 H new ATOM 0 HA ASP A 63 19.508 -15.906 7.758 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.436 -16.796 5.422 1.00 0.00 H new ATOM 0 HB3 ASP A 63 19.026 -18.381 6.046 1.00 0.00 H new ATOM 924 N ALA A 64 18.644 -17.044 9.776 1.00 0.00 N ATOM 925 CA ALA A 64 18.020 -17.668 10.937 1.00 0.00 C ATOM 926 C ALA A 64 16.516 -17.420 10.950 1.00 0.00 C ATOM 927 O ALA A 64 15.729 -18.298 10.599 1.00 0.00 O ATOM 928 CB ALA A 64 18.654 -17.149 12.219 1.00 0.00 C ATOM 0 H ALA A 64 18.795 -16.039 9.867 1.00 0.00 H new ATOM 0 HA ALA A 64 18.184 -18.744 10.873 1.00 0.00 H new ATOM 0 HB1 ALA A 64 18.179 -17.623 13.078 1.00 0.00 H new ATOM 0 HB2 ALA A 64 19.719 -17.382 12.219 1.00 0.00 H new ATOM 0 HB3 ALA A 64 18.519 -16.069 12.280 1.00 0.00 H new ATOM 934 N ALA A 65 16.126 -16.218 11.357 1.00 0.00 N ATOM 935 CA ALA A 65 14.718 -15.848 11.417 1.00 0.00 C ATOM 936 C ALA A 65 14.551 -14.333 11.457 1.00 0.00 C ATOM 937 O ALA A 65 13.578 -13.820 12.012 1.00 0.00 O ATOM 938 CB ALA A 65 14.058 -16.487 12.631 1.00 0.00 C ATOM 0 H ALA A 65 16.767 -15.481 11.651 1.00 0.00 H new ATOM 0 HA ALA A 65 14.230 -16.217 10.515 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.006 -16.203 12.665 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.139 -17.572 12.560 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.556 -16.144 13.538 1.00 0.00 H new ATOM 944 N LEU A 66 15.505 -13.622 10.865 1.00 0.00 N ATOM 945 CA LEU A 66 15.462 -12.164 10.833 1.00 0.00 C ATOM 946 C LEU A 66 14.383 -11.671 9.875 1.00 0.00 C ATOM 947 O LEU A 66 14.519 -11.784 8.656 1.00 0.00 O ATOM 948 CB LEU A 66 16.824 -11.600 10.423 1.00 0.00 C ATOM 949 CG LEU A 66 17.472 -12.280 9.216 1.00 0.00 C ATOM 950 CD1 LEU A 66 17.759 -11.261 8.123 1.00 0.00 C ATOM 951 CD2 LEU A 66 18.748 -12.998 9.629 1.00 0.00 C ATOM 0 H LEU A 66 16.316 -14.031 10.401 1.00 0.00 H new ATOM 0 HA LEU A 66 15.219 -11.812 11.835 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.709 -10.538 10.204 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.503 -11.678 11.272 1.00 0.00 H new ATOM 0 HG LEU A 66 16.776 -13.020 8.821 1.00 0.00 H new ATOM 0 HD11 LEU A 66 18.220 -11.761 7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.826 -10.793 7.808 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.437 -10.498 8.506 1.00 0.00 H new ATOM 0 HD21 LEU A 66 19.195 -13.476 8.757 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.451 -12.278 10.049 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.514 -13.755 10.377 1.00 0.00 H new ATOM 963 N ARG A 67 13.310 -11.123 10.435 1.00 0.00 N ATOM 964 CA ARG A 67 12.205 -10.612 9.634 1.00 0.00 C ATOM 965 C ARG A 67 12.144 -9.088 9.704 1.00 0.00 C ATOM 966 O ARG A 67 12.759 -8.474 10.576 1.00 0.00 O ATOM 967 CB ARG A 67 10.881 -11.207 10.118 1.00 0.00 C ATOM 968 CG ARG A 67 10.420 -12.407 9.308 1.00 0.00 C ATOM 969 CD ARG A 67 9.139 -13.002 9.871 1.00 0.00 C ATOM 970 NE ARG A 67 9.328 -13.528 11.220 1.00 0.00 N ATOM 971 CZ ARG A 67 8.328 -13.785 12.058 1.00 0.00 C ATOM 972 NH1 ARG A 67 7.073 -13.563 11.687 1.00 0.00 N ATOM 973 NH2 ARG A 67 8.581 -14.263 13.268 1.00 0.00 N ATOM 0 H ARG A 67 13.182 -11.021 11.442 1.00 0.00 H new ATOM 0 HA ARG A 67 12.372 -10.906 8.598 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.985 -11.503 11.162 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.111 -10.436 10.080 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.259 -12.108 8.272 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.203 -13.166 9.302 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.360 -12.239 9.885 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.791 -13.801 9.216 1.00 0.00 H new ATOM 0 HE ARG A 67 10.280 -13.708 11.537 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.874 -13.194 10.757 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.308 -13.761 12.332 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.544 -14.434 13.558 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.813 -14.460 13.910 1.00 0.00 H new ATOM 987 N PRO A 68 11.395 -8.452 8.785 1.00 0.00 N ATOM 988 CA PRO A 68 11.256 -6.992 8.754 1.00 0.00 C ATOM 989 C PRO A 68 10.529 -6.457 9.984 1.00 0.00 C ATOM 990 O PRO A 68 10.060 -7.226 10.822 1.00 0.00 O ATOM 991 CB PRO A 68 10.430 -6.734 7.490 1.00 0.00 C ATOM 992 CG PRO A 68 9.704 -8.010 7.241 1.00 0.00 C ATOM 993 CD PRO A 68 10.622 -9.103 7.713 1.00 0.00 C ATOM 0 HA PRO A 68 12.224 -6.491 8.752 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.736 -5.906 7.634 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.069 -6.472 6.647 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.758 -8.033 7.782 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.469 -8.126 6.183 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.066 -9.964 8.083 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.268 -9.461 6.911 1.00 0.00 H new ATOM 1001 N THR A 69 10.441 -5.136 10.083 1.00 0.00 N ATOM 1002 CA THR A 69 9.772 -4.498 11.211 1.00 0.00 C ATOM 1003 C THR A 69 9.337 -3.079 10.857 1.00 0.00 C ATOM 1004 O THR A 69 8.936 -2.308 11.730 1.00 0.00 O ATOM 1005 CB THR A 69 10.685 -4.452 12.452 1.00 0.00 C ATOM 1006 OG1 THR A 69 9.972 -3.905 13.568 1.00 0.00 O ATOM 1007 CG2 THR A 69 11.928 -3.619 12.181 1.00 0.00 C ATOM 0 H THR A 69 10.824 -4.486 9.397 1.00 0.00 H new ATOM 0 HA THR A 69 8.892 -5.098 11.441 1.00 0.00 H new ATOM 0 HB THR A 69 10.994 -5.471 12.684 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.381 -3.188 13.258 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.556 -3.602 13.072 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.485 -4.056 11.352 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.635 -2.601 11.924 1.00 0.00 H new ATOM 1015 N LYS A 70 9.422 -2.745 9.571 1.00 0.00 N ATOM 1016 CA LYS A 70 9.042 -1.421 9.085 1.00 0.00 C ATOM 1017 C LYS A 70 9.960 -0.344 9.656 1.00 0.00 C ATOM 1018 O LYS A 70 10.077 -0.192 10.872 1.00 0.00 O ATOM 1019 CB LYS A 70 7.586 -1.113 9.446 1.00 0.00 C ATOM 1020 CG LYS A 70 6.651 -1.113 8.248 1.00 0.00 C ATOM 1021 CD LYS A 70 5.240 -1.519 8.643 1.00 0.00 C ATOM 1022 CE LYS A 70 4.203 -0.894 7.724 1.00 0.00 C ATOM 1023 NZ LYS A 70 3.776 -1.832 6.648 1.00 0.00 N ATOM 0 H LYS A 70 9.753 -3.378 8.843 1.00 0.00 H new ATOM 0 HA LYS A 70 9.145 -1.422 8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.236 -1.849 10.170 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.539 -0.139 9.933 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.633 -0.120 7.799 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.029 -1.799 7.490 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.150 -2.605 8.610 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.047 -1.214 9.672 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.334 -0.593 8.309 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.614 0.010 7.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.069 -1.368 6.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.601 -2.100 6.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.360 -2.684 7.075 1.00 0.00 H new ATOM 1037 N SER A 71 10.612 0.399 8.768 1.00 0.00 N ATOM 1038 CA SER A 71 11.522 1.460 9.182 1.00 0.00 C ATOM 1039 C SER A 71 11.187 2.773 8.479 1.00 0.00 C ATOM 1040 O SER A 71 10.104 2.927 7.916 1.00 0.00 O ATOM 1041 CB SER A 71 12.969 1.063 8.883 1.00 0.00 C ATOM 1042 OG SER A 71 13.830 1.429 9.948 1.00 0.00 O ATOM 0 H SER A 71 10.527 0.286 7.758 1.00 0.00 H new ATOM 0 HA SER A 71 11.405 1.605 10.256 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.027 -0.013 8.718 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.299 1.545 7.963 1.00 0.00 H new ATOM 0 HG SER A 71 14.487 0.717 10.097 1.00 0.00 H new ATOM 1048 N ASP A 72 12.126 3.713 8.518 1.00 0.00 N ATOM 1049 CA ASP A 72 11.933 5.013 7.886 1.00 0.00 C ATOM 1050 C ASP A 72 12.883 5.192 6.707 1.00 0.00 C ATOM 1051 O ASP A 72 12.565 5.885 5.740 1.00 0.00 O ATOM 1052 CB ASP A 72 12.148 6.135 8.903 1.00 0.00 C ATOM 1053 CG ASP A 72 10.965 7.079 8.983 1.00 0.00 C ATOM 1054 OD1 ASP A 72 10.683 7.764 7.978 1.00 0.00 O ATOM 1055 OD2 ASP A 72 10.321 7.134 10.052 1.00 0.00 O ATOM 0 H ASP A 72 13.028 3.599 8.981 1.00 0.00 H new ATOM 0 HA ASP A 72 10.909 5.059 7.515 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.329 5.700 9.886 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.041 6.699 8.634 1.00 0.00 H new ATOM 1060 N GLY A 73 14.050 4.561 6.793 1.00 0.00 N ATOM 1061 CA GLY A 73 15.031 4.663 5.726 1.00 0.00 C ATOM 1062 C GLY A 73 16.157 3.659 5.875 1.00 0.00 C ATOM 1063 O GLY A 73 17.287 3.918 5.459 1.00 0.00 O ATOM 0 H GLY A 73 14.334 3.981 7.582 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.537 4.510 4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.446 5.671 5.714 1.00 0.00 H new ATOM 1067 N ALA A 74 15.849 2.511 6.470 1.00 0.00 N ATOM 1068 CA ALA A 74 16.844 1.464 6.675 1.00 0.00 C ATOM 1069 C ALA A 74 17.212 0.791 5.357 1.00 0.00 C ATOM 1070 O ALA A 74 16.372 0.637 4.471 1.00 0.00 O ATOM 1071 CB ALA A 74 16.329 0.435 7.669 1.00 0.00 C ATOM 0 H ALA A 74 14.918 2.282 6.819 1.00 0.00 H new ATOM 0 HA ALA A 74 17.744 1.926 7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 74 17.081 -0.340 7.813 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.123 0.921 8.622 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.413 -0.015 7.286 1.00 0.00 H new ATOM 1077 N VAL A 75 18.475 0.390 5.235 1.00 0.00 N ATOM 1078 CA VAL A 75 18.956 -0.267 4.027 1.00 0.00 C ATOM 1079 C VAL A 75 19.714 -1.548 4.364 1.00 0.00 C ATOM 1080 O VAL A 75 20.613 -1.544 5.206 1.00 0.00 O ATOM 1081 CB VAL A 75 19.876 0.657 3.207 1.00 0.00 C ATOM 1082 CG1 VAL A 75 19.158 1.158 1.963 1.00 0.00 C ATOM 1083 CG2 VAL A 75 20.367 1.822 4.054 1.00 0.00 C ATOM 0 H VAL A 75 19.183 0.510 5.960 1.00 0.00 H new ATOM 0 HA VAL A 75 18.077 -0.511 3.431 1.00 0.00 H new ATOM 0 HB VAL A 75 20.745 0.080 2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 75 19.823 1.809 1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 75 18.867 0.309 1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 75 18.268 1.715 2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 75 21.015 2.461 3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 75 19.513 2.400 4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 75 20.925 1.440 4.909 1.00 0.00 H new ATOM 1093 N SER A 76 19.346 -2.639 3.701 1.00 0.00 N ATOM 1094 CA SER A 76 19.992 -3.927 3.931 1.00 0.00 C ATOM 1095 C SER A 76 20.582 -4.478 2.637 1.00 0.00 C ATOM 1096 O SER A 76 20.485 -3.849 1.583 1.00 0.00 O ATOM 1097 CB SER A 76 18.990 -4.927 4.513 1.00 0.00 C ATOM 1098 OG SER A 76 17.871 -4.260 5.071 1.00 0.00 O ATOM 0 H SER A 76 18.605 -2.658 3.001 1.00 0.00 H new ATOM 0 HA SER A 76 20.802 -3.777 4.645 1.00 0.00 H new ATOM 0 HB2 SER A 76 18.658 -5.611 3.732 1.00 0.00 H new ATOM 0 HB3 SER A 76 19.477 -5.531 5.279 1.00 0.00 H new ATOM 0 HG SER A 76 17.245 -4.920 5.435 1.00 0.00 H new ATOM 1104 N GLY A 77 21.195 -5.654 2.725 1.00 0.00 N ATOM 1105 CA GLY A 77 21.790 -6.269 1.553 1.00 0.00 C ATOM 1106 C GLY A 77 22.986 -7.135 1.896 1.00 0.00 C ATOM 1107 O GLY A 77 23.233 -7.429 3.065 1.00 0.00 O ATOM 0 H GLY A 77 21.290 -6.192 3.586 1.00 0.00 H new ATOM 0 HA2 GLY A 77 21.040 -6.875 1.045 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.097 -5.491 0.855 1.00 0.00 H new