USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=11 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 Set 1.1: A 19 SER OG : rot 180:sc= 0.684 USER MOD Set 1.2: A 21 THR OG1 : rot -71:sc= 0.149 USER MOD Set 1.3: A 69 THR OG1 : rot 174:sc= -1.57! 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=-0.00153 USER MOD Single : A 34 SER OG : rot 160:sc= -1.56! USER MOD Single : A 35 GLN : amide:sc= -0.412 X(o=-0.41,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.335 X(o=-0.34,f=-0.016) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 9:sc= -1.8! 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= -0.0642 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -0.202 USER MOD ----------------------------------------------------------------- ATOM 268 N VAL A 18 13.448 -1.686 4.917 1.00 0.00 N ATOM 269 CA VAL A 18 13.407 -1.251 6.309 1.00 0.00 C ATOM 270 C VAL A 18 14.392 -2.047 7.160 1.00 0.00 C ATOM 271 O VAL A 18 15.041 -2.973 6.672 1.00 0.00 O ATOM 272 CB VAL A 18 11.985 -1.383 6.907 1.00 0.00 C ATOM 273 CG1 VAL A 18 10.928 -1.106 5.848 1.00 0.00 C ATOM 274 CG2 VAL A 18 11.772 -2.758 7.523 1.00 0.00 C ATOM 0 HA VAL A 18 13.692 -0.199 6.321 1.00 0.00 H new ATOM 0 HB VAL A 18 11.887 -0.640 7.698 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.936 -1.204 6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.055 -0.094 5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.034 -1.821 5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.765 -2.820 7.935 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.899 -3.523 6.757 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.500 -2.917 8.319 1.00 0.00 H new ATOM 284 N SER A 19 14.495 -1.685 8.437 1.00 0.00 N ATOM 285 CA SER A 19 15.399 -2.371 9.356 1.00 0.00 C ATOM 286 C SER A 19 15.038 -3.850 9.459 1.00 0.00 C ATOM 287 O SER A 19 14.000 -4.279 8.956 1.00 0.00 O ATOM 288 CB SER A 19 15.348 -1.718 10.739 1.00 0.00 C ATOM 289 OG SER A 19 15.019 -2.662 11.743 1.00 0.00 O ATOM 0 H SER A 19 13.965 -0.922 8.858 1.00 0.00 H new ATOM 0 HA SER A 19 16.413 -2.288 8.966 1.00 0.00 H new ATOM 0 HB2 SER A 19 16.313 -1.265 10.965 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.611 -0.915 10.737 1.00 0.00 H new ATOM 0 HG SER A 19 14.995 -2.217 12.616 1.00 0.00 H new ATOM 295 N PHE A 20 15.898 -4.627 10.108 1.00 0.00 N ATOM 296 CA PHE A 20 15.656 -6.056 10.264 1.00 0.00 C ATOM 297 C PHE A 20 15.597 -6.452 11.734 1.00 0.00 C ATOM 298 O PHE A 20 16.416 -6.012 12.542 1.00 0.00 O ATOM 299 CB PHE A 20 16.736 -6.865 9.544 1.00 0.00 C ATOM 300 CG PHE A 20 16.361 -7.242 8.138 1.00 0.00 C ATOM 301 CD1 PHE A 20 15.042 -7.507 7.804 1.00 0.00 C ATOM 302 CD2 PHE A 20 17.328 -7.330 7.150 1.00 0.00 C ATOM 303 CE1 PHE A 20 14.695 -7.850 6.513 1.00 0.00 C ATOM 304 CE2 PHE A 20 16.987 -7.673 5.856 1.00 0.00 C ATOM 305 CZ PHE A 20 15.668 -7.933 5.537 1.00 0.00 C ATOM 0 H PHE A 20 16.764 -4.294 10.532 1.00 0.00 H new ATOM 0 HA PHE A 20 14.688 -6.278 9.814 1.00 0.00 H new ATOM 0 HB2 PHE A 20 17.660 -6.287 9.523 1.00 0.00 H new ATOM 0 HB3 PHE A 20 16.941 -7.772 10.113 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.277 -7.444 8.563 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.360 -7.128 7.394 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.663 -8.053 6.266 1.00 0.00 H new ATOM 0 HE2 PHE A 20 17.750 -7.738 5.095 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.399 -8.201 4.526 1.00 0.00 H new ATOM 315 N THR A 21 14.618 -7.286 12.071 1.00 0.00 N ATOM 316 CA THR A 21 14.441 -7.749 13.441 1.00 0.00 C ATOM 317 C THR A 21 14.050 -9.221 13.476 1.00 0.00 C ATOM 318 O THR A 21 13.977 -9.879 12.437 1.00 0.00 O ATOM 319 CB THR A 21 13.365 -6.927 14.177 1.00 0.00 C ATOM 320 OG1 THR A 21 12.144 -6.936 13.427 1.00 0.00 O ATOM 321 CG2 THR A 21 13.828 -5.493 14.383 1.00 0.00 C ATOM 0 H THR A 21 13.934 -7.655 11.411 1.00 0.00 H new ATOM 0 HA THR A 21 15.398 -7.617 13.946 1.00 0.00 H new ATOM 0 HB THR A 21 13.195 -7.382 15.153 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.252 -6.390 12.620 1.00 0.00 H new ATOM 0 HG21 THR A 21 13.053 -4.932 14.904 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.742 -5.487 14.977 1.00 0.00 H new ATOM 0 HG23 THR A 21 14.022 -5.031 13.415 1.00 0.00 H new ATOM 329 N GLY A 22 13.801 -9.735 14.677 1.00 0.00 N ATOM 330 CA GLY A 22 13.421 -11.128 14.824 1.00 0.00 C ATOM 331 C GLY A 22 14.622 -12.053 14.875 1.00 0.00 C ATOM 332 O GLY A 22 14.610 -13.056 15.589 1.00 0.00 O ATOM 0 H GLY A 22 13.856 -9.211 15.551 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.835 -11.248 15.735 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.779 -11.416 13.992 1.00 0.00 H new ATOM 336 N GLY A 23 15.661 -11.713 14.119 1.00 0.00 N ATOM 337 CA GLY A 23 16.860 -12.528 14.097 1.00 0.00 C ATOM 338 C GLY A 23 17.873 -12.096 15.139 1.00 0.00 C ATOM 339 O GLY A 23 17.667 -11.104 15.839 1.00 0.00 O ATOM 0 H GLY A 23 15.693 -10.887 13.521 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.590 -13.570 14.267 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.315 -12.473 13.108 1.00 0.00 H new ATOM 343 N LYS A 24 18.968 -12.842 15.243 1.00 0.00 N ATOM 344 CA LYS A 24 20.015 -12.531 16.208 1.00 0.00 C ATOM 345 C LYS A 24 21.279 -12.048 15.503 1.00 0.00 C ATOM 346 O LYS A 24 22.109 -12.851 15.077 1.00 0.00 O ATOM 347 CB LYS A 24 20.330 -13.759 17.063 1.00 0.00 C ATOM 348 CG LYS A 24 19.551 -13.809 18.368 1.00 0.00 C ATOM 349 CD LYS A 24 20.402 -13.360 19.545 1.00 0.00 C ATOM 350 CE LYS A 24 19.866 -13.902 20.860 1.00 0.00 C ATOM 351 NZ LYS A 24 18.668 -13.150 21.323 1.00 0.00 N ATOM 0 H LYS A 24 19.153 -13.666 14.671 1.00 0.00 H new ATOM 0 HA LYS A 24 19.654 -11.731 16.854 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.114 -14.658 16.486 1.00 0.00 H new ATOM 0 HB3 LYS A 24 21.397 -13.772 17.286 1.00 0.00 H new ATOM 0 HG2 LYS A 24 18.670 -13.172 18.291 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.196 -14.825 18.542 1.00 0.00 H new ATOM 0 HD2 LYS A 24 21.429 -13.698 19.403 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.427 -12.271 19.583 1.00 0.00 H new ATOM 0 HE2 LYS A 24 19.610 -14.955 20.741 1.00 0.00 H new ATOM 0 HE3 LYS A 24 20.645 -13.847 21.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 18.333 -13.550 22.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 18.918 -12.150 21.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 17.915 -13.224 20.610 1.00 0.00 H new ATOM 365 N ALA A 25 21.418 -10.730 15.385 1.00 0.00 N ATOM 366 CA ALA A 25 22.580 -10.138 14.734 1.00 0.00 C ATOM 367 C ALA A 25 23.872 -10.553 15.428 1.00 0.00 C ATOM 368 O ALA A 25 24.037 -10.342 16.630 1.00 0.00 O ATOM 369 CB ALA A 25 22.456 -8.620 14.714 1.00 0.00 C ATOM 0 H ALA A 25 20.739 -10.053 15.732 1.00 0.00 H new ATOM 0 HA ALA A 25 22.616 -10.505 13.708 1.00 0.00 H new ATOM 0 HB1 ALA A 25 23.330 -8.190 14.225 1.00 0.00 H new ATOM 0 HB2 ALA A 25 21.557 -8.336 14.167 1.00 0.00 H new ATOM 0 HB3 ALA A 25 22.392 -8.247 15.736 1.00 0.00 H new ATOM 375 N ILE A 26 24.788 -11.139 14.663 1.00 0.00 N ATOM 376 CA ILE A 26 26.067 -11.577 15.206 1.00 0.00 C ATOM 377 C ILE A 26 26.890 -10.382 15.669 1.00 0.00 C ATOM 378 O ILE A 26 27.772 -10.510 16.518 1.00 0.00 O ATOM 379 CB ILE A 26 26.881 -12.372 14.167 1.00 0.00 C ATOM 380 CG1 ILE A 26 27.178 -11.504 12.941 1.00 0.00 C ATOM 381 CG2 ILE A 26 26.133 -13.633 13.761 1.00 0.00 C ATOM 382 CD1 ILE A 26 28.589 -10.960 12.908 1.00 0.00 C ATOM 0 H ILE A 26 24.668 -11.321 13.667 1.00 0.00 H new ATOM 0 HA ILE A 26 25.849 -12.227 16.054 1.00 0.00 H new ATOM 0 HB ILE A 26 27.829 -12.664 14.618 1.00 0.00 H new ATOM 0 HG12 ILE A 26 27.004 -12.092 12.040 1.00 0.00 H new ATOM 0 HG13 ILE A 26 26.476 -10.670 12.918 1.00 0.00 H new ATOM 0 HG21 ILE A 26 26.721 -14.184 13.027 1.00 0.00 H new ATOM 0 HG22 ILE A 26 25.971 -14.258 14.639 1.00 0.00 H new ATOM 0 HG23 ILE A 26 25.171 -13.361 13.326 1.00 0.00 H new ATOM 0 HD11 ILE A 26 28.725 -10.355 12.011 1.00 0.00 H new ATOM 0 HD12 ILE A 26 28.762 -10.344 13.791 1.00 0.00 H new ATOM 0 HD13 ILE A 26 29.298 -11.788 12.898 1.00 0.00 H new ATOM 394 N SER A 27 26.591 -9.222 15.098 1.00 0.00 N ATOM 395 CA SER A 27 27.295 -7.993 15.437 1.00 0.00 C ATOM 396 C SER A 27 26.560 -6.782 14.880 1.00 0.00 C ATOM 397 O SER A 27 26.001 -6.832 13.785 1.00 0.00 O ATOM 398 CB SER A 27 28.723 -8.035 14.892 1.00 0.00 C ATOM 399 OG SER A 27 29.461 -6.897 15.302 1.00 0.00 O ATOM 0 H SER A 27 25.862 -9.107 14.394 1.00 0.00 H new ATOM 0 HA SER A 27 27.332 -7.907 16.523 1.00 0.00 H new ATOM 0 HB2 SER A 27 29.221 -8.940 15.240 1.00 0.00 H new ATOM 0 HB3 SER A 27 28.698 -8.083 13.803 1.00 0.00 H new ATOM 0 HG SER A 27 30.371 -6.950 14.941 1.00 0.00 H new ATOM 405 N GLU A 28 26.563 -5.699 15.643 1.00 0.00 N ATOM 406 CA GLU A 28 25.896 -4.473 15.228 1.00 0.00 C ATOM 407 C GLU A 28 26.856 -3.292 15.296 1.00 0.00 C ATOM 408 O GLU A 28 27.673 -3.196 16.211 1.00 0.00 O ATOM 409 CB GLU A 28 24.679 -4.200 16.111 1.00 0.00 C ATOM 410 CG GLU A 28 24.139 -5.435 16.816 1.00 0.00 C ATOM 411 CD GLU A 28 24.096 -5.277 18.322 1.00 0.00 C ATOM 412 OE1 GLU A 28 25.097 -4.802 18.899 1.00 0.00 O ATOM 413 OE2 GLU A 28 23.060 -5.627 18.926 1.00 0.00 O ATOM 0 H GLU A 28 27.020 -5.644 16.553 1.00 0.00 H new ATOM 0 HA GLU A 28 25.565 -4.600 14.197 1.00 0.00 H new ATOM 0 HB2 GLU A 28 24.946 -3.454 16.860 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.888 -3.768 15.498 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.135 -5.648 16.448 1.00 0.00 H new ATOM 0 HG3 GLU A 28 24.760 -6.294 16.563 1.00 0.00 H new ATOM 420 N ALA A 29 26.752 -2.398 14.322 1.00 0.00 N ATOM 421 CA ALA A 29 27.614 -1.223 14.270 1.00 0.00 C ATOM 422 C ALA A 29 26.801 0.064 14.339 1.00 0.00 C ATOM 423 O ALA A 29 26.242 0.508 13.337 1.00 0.00 O ATOM 424 CB ALA A 29 28.460 -1.245 13.008 1.00 0.00 C ATOM 0 H ALA A 29 26.080 -2.463 13.557 1.00 0.00 H new ATOM 0 HA ALA A 29 28.272 -1.251 15.139 1.00 0.00 H new ATOM 0 HB1 ALA A 29 29.098 -0.362 12.983 1.00 0.00 H new ATOM 0 HB2 ALA A 29 29.080 -2.141 13.001 1.00 0.00 H new ATOM 0 HB3 ALA A 29 27.809 -1.247 12.134 1.00 0.00 H new ATOM 430 N LYS A 30 26.743 0.662 15.526 1.00 0.00 N ATOM 431 CA LYS A 30 26.002 1.904 15.720 1.00 0.00 C ATOM 432 C LYS A 30 26.546 2.999 14.808 1.00 0.00 C ATOM 433 O LYS A 30 27.467 3.728 15.178 1.00 0.00 O ATOM 434 CB LYS A 30 26.085 2.350 17.181 1.00 0.00 C ATOM 435 CG LYS A 30 24.753 2.807 17.755 1.00 0.00 C ATOM 436 CD LYS A 30 24.781 2.835 19.274 1.00 0.00 C ATOM 437 CE LYS A 30 23.645 3.673 19.837 1.00 0.00 C ATOM 438 NZ LYS A 30 23.540 3.546 21.317 1.00 0.00 N ATOM 0 H LYS A 30 27.199 0.307 16.366 1.00 0.00 H new ATOM 0 HA LYS A 30 24.958 1.724 15.465 1.00 0.00 H new ATOM 0 HB2 LYS A 30 26.467 1.525 17.783 1.00 0.00 H new ATOM 0 HB3 LYS A 30 26.805 3.164 17.263 1.00 0.00 H new ATOM 0 HG2 LYS A 30 24.514 3.801 17.376 1.00 0.00 H new ATOM 0 HG3 LYS A 30 23.961 2.138 17.417 1.00 0.00 H new ATOM 0 HD2 LYS A 30 24.709 1.818 19.659 1.00 0.00 H new ATOM 0 HD3 LYS A 30 25.735 3.238 19.614 1.00 0.00 H new ATOM 0 HE2 LYS A 30 23.800 4.719 19.573 1.00 0.00 H new ATOM 0 HE3 LYS A 30 22.705 3.365 19.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.753 4.133 21.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 23.366 2.552 21.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 24.427 3.864 21.757 1.00 0.00 H new ATOM 452 N ALA A 31 25.977 3.101 13.611 1.00 0.00 N ATOM 453 CA ALA A 31 26.412 4.099 12.641 1.00 0.00 C ATOM 454 C ALA A 31 25.222 4.767 11.963 1.00 0.00 C ATOM 455 O ALA A 31 24.193 4.136 11.728 1.00 0.00 O ATOM 456 CB ALA A 31 27.316 3.454 11.602 1.00 0.00 C ATOM 0 H ALA A 31 25.214 2.505 13.290 1.00 0.00 H new ATOM 0 HA ALA A 31 26.970 4.870 13.173 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.636 4.206 10.881 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.190 3.028 12.094 1.00 0.00 H new ATOM 0 HB3 ALA A 31 26.770 2.665 11.085 1.00 0.00 H new ATOM 462 N ALA A 32 25.377 6.049 11.643 1.00 0.00 N ATOM 463 CA ALA A 32 24.320 6.805 10.984 1.00 0.00 C ATOM 464 C ALA A 32 24.436 6.689 9.468 1.00 0.00 C ATOM 465 O ALA A 32 23.631 7.255 8.728 1.00 0.00 O ATOM 466 CB ALA A 32 24.370 8.264 11.409 1.00 0.00 C ATOM 0 H ALA A 32 26.225 6.584 11.830 1.00 0.00 H new ATOM 0 HA ALA A 32 23.360 6.386 11.286 1.00 0.00 H new ATOM 0 HB1 ALA A 32 23.575 8.816 10.909 1.00 0.00 H new ATOM 0 HB2 ALA A 32 24.236 8.333 12.489 1.00 0.00 H new ATOM 0 HB3 ALA A 32 25.335 8.690 11.135 1.00 0.00 H new ATOM 472 N SER A 33 25.444 5.950 9.014 1.00 0.00 N ATOM 473 CA SER A 33 25.671 5.754 7.587 1.00 0.00 C ATOM 474 C SER A 33 26.101 4.319 7.301 1.00 0.00 C ATOM 475 O SER A 33 26.979 3.778 7.973 1.00 0.00 O ATOM 476 CB SER A 33 26.735 6.730 7.079 1.00 0.00 C ATOM 477 OG SER A 33 26.726 7.931 7.831 1.00 0.00 O ATOM 0 H SER A 33 26.118 5.476 9.616 1.00 0.00 H new ATOM 0 HA SER A 33 24.735 5.946 7.063 1.00 0.00 H new ATOM 0 HB2 SER A 33 27.719 6.265 7.142 1.00 0.00 H new ATOM 0 HB3 SER A 33 26.555 6.954 6.028 1.00 0.00 H new ATOM 0 HG SER A 33 27.416 8.537 7.488 1.00 0.00 H new ATOM 483 N SER A 34 25.475 3.709 6.299 1.00 0.00 N ATOM 484 CA SER A 34 25.787 2.335 5.922 1.00 0.00 C ATOM 485 C SER A 34 27.272 2.175 5.614 1.00 0.00 C ATOM 486 O SER A 34 27.846 1.109 5.827 1.00 0.00 O ATOM 487 CB SER A 34 24.963 1.921 4.705 1.00 0.00 C ATOM 488 OG SER A 34 23.704 2.570 4.695 1.00 0.00 O ATOM 0 H SER A 34 24.748 4.146 5.733 1.00 0.00 H new ATOM 0 HA SER A 34 25.536 1.691 6.765 1.00 0.00 H new ATOM 0 HB2 SER A 34 25.508 2.165 3.793 1.00 0.00 H new ATOM 0 HB3 SER A 34 24.818 0.841 4.711 1.00 0.00 H new ATOM 0 HG SER A 34 23.335 2.554 3.787 1.00 0.00 H new ATOM 494 N GLN A 35 27.883 3.242 5.109 1.00 0.00 N ATOM 495 CA GLN A 35 29.300 3.225 4.767 1.00 0.00 C ATOM 496 C GLN A 35 30.137 2.715 5.936 1.00 0.00 C ATOM 497 O GLN A 35 31.011 1.865 5.764 1.00 0.00 O ATOM 498 CB GLN A 35 29.758 4.627 4.353 1.00 0.00 C ATOM 499 CG GLN A 35 31.253 4.861 4.506 1.00 0.00 C ATOM 500 CD GLN A 35 32.060 4.239 3.383 1.00 0.00 C ATOM 501 OE1 GLN A 35 32.723 4.939 2.619 1.00 0.00 O ATOM 502 NE2 GLN A 35 32.006 2.915 3.277 1.00 0.00 N ATOM 0 H GLN A 35 27.417 4.131 4.927 1.00 0.00 H new ATOM 0 HA GLN A 35 29.443 2.544 3.928 1.00 0.00 H new ATOM 0 HB2 GLN A 35 29.479 4.797 3.313 1.00 0.00 H new ATOM 0 HB3 GLN A 35 29.222 5.364 4.951 1.00 0.00 H new ATOM 0 HG2 GLN A 35 31.448 5.933 4.537 1.00 0.00 H new ATOM 0 HG3 GLN A 35 31.586 4.449 5.459 1.00 0.00 H new ATOM 0 HE21 GLN A 35 31.443 2.373 3.933 1.00 0.00 H new ATOM 0 HE22 GLN A 35 32.528 2.441 2.540 1.00 0.00 H new ATOM 511 N ALA A 36 29.857 3.234 7.125 1.00 0.00 N ATOM 512 CA ALA A 36 30.579 2.826 8.324 1.00 0.00 C ATOM 513 C ALA A 36 30.297 1.366 8.649 1.00 0.00 C ATOM 514 O ALA A 36 31.148 0.665 9.198 1.00 0.00 O ATOM 515 CB ALA A 36 30.202 3.716 9.498 1.00 0.00 C ATOM 0 H ALA A 36 29.136 3.938 7.285 1.00 0.00 H new ATOM 0 HA ALA A 36 31.647 2.934 8.136 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.749 3.399 10.386 1.00 0.00 H new ATOM 0 HB2 ALA A 36 30.455 4.751 9.266 1.00 0.00 H new ATOM 0 HB3 ALA A 36 29.131 3.638 9.685 1.00 0.00 H new ATOM 521 N CYS A 37 29.100 0.911 8.296 1.00 0.00 N ATOM 522 CA CYS A 37 28.703 -0.470 8.539 1.00 0.00 C ATOM 523 C CYS A 37 29.381 -1.397 7.536 1.00 0.00 C ATOM 524 O CYS A 37 29.566 -2.586 7.797 1.00 0.00 O ATOM 525 CB CYS A 37 27.182 -0.613 8.441 1.00 0.00 C ATOM 526 SG CYS A 37 26.591 -2.336 8.467 1.00 0.00 S ATOM 0 H CYS A 37 28.387 1.480 7.840 1.00 0.00 H new ATOM 0 HA CYS A 37 29.016 -0.749 9.545 1.00 0.00 H new ATOM 0 HB2 CYS A 37 26.723 -0.071 9.268 1.00 0.00 H new ATOM 0 HB3 CYS A 37 26.842 -0.138 7.521 1.00 0.00 H new ATOM 531 N GLN A 38 29.754 -0.837 6.389 1.00 0.00 N ATOM 532 CA GLN A 38 30.418 -1.602 5.342 1.00 0.00 C ATOM 533 C GLN A 38 31.856 -1.918 5.738 1.00 0.00 C ATOM 534 O GLN A 38 32.307 -3.056 5.616 1.00 0.00 O ATOM 535 CB GLN A 38 30.398 -0.826 4.025 1.00 0.00 C ATOM 536 CG GLN A 38 28.998 -0.590 3.481 1.00 0.00 C ATOM 537 CD GLN A 38 29.003 0.151 2.160 1.00 0.00 C ATOM 538 OE1 GLN A 38 29.663 -0.261 1.205 1.00 0.00 O ATOM 539 NE2 GLN A 38 28.264 1.253 2.097 1.00 0.00 N ATOM 0 H GLN A 38 29.607 0.146 6.162 1.00 0.00 H new ATOM 0 HA GLN A 38 29.879 -2.540 5.209 1.00 0.00 H new ATOM 0 HB2 GLN A 38 30.889 0.136 4.172 1.00 0.00 H new ATOM 0 HB3 GLN A 38 30.981 -1.371 3.282 1.00 0.00 H new ATOM 0 HG2 GLN A 38 28.495 -1.549 3.353 1.00 0.00 H new ATOM 0 HG3 GLN A 38 28.420 -0.022 4.210 1.00 0.00 H new ATOM 0 HE21 GLN A 38 27.733 1.558 2.913 1.00 0.00 H new ATOM 0 HE22 GLN A 38 28.228 1.794 1.233 1.00 0.00 H new ATOM 548 N GLU A 39 32.569 -0.902 6.216 1.00 0.00 N ATOM 549 CA GLU A 39 33.956 -1.075 6.633 1.00 0.00 C ATOM 550 C GLU A 39 34.033 -1.908 7.907 1.00 0.00 C ATOM 551 O GLU A 39 34.964 -2.691 8.096 1.00 0.00 O ATOM 552 CB GLU A 39 34.620 0.285 6.856 1.00 0.00 C ATOM 553 CG GLU A 39 35.335 0.821 5.627 1.00 0.00 C ATOM 554 CD GLU A 39 36.562 0.007 5.265 1.00 0.00 C ATOM 555 OE1 GLU A 39 36.420 -0.978 4.510 1.00 0.00 O ATOM 556 OE2 GLU A 39 37.666 0.355 5.736 1.00 0.00 O ATOM 0 H GLU A 39 32.210 0.047 6.324 1.00 0.00 H new ATOM 0 HA GLU A 39 34.488 -1.601 5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 39 33.862 1.004 7.167 1.00 0.00 H new ATOM 0 HB3 GLU A 39 35.335 0.201 7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 39 34.645 0.826 4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 39 35.629 1.855 5.805 1.00 0.00 H new ATOM 563 N LEU A 40 33.041 -1.738 8.774 1.00 0.00 N ATOM 564 CA LEU A 40 32.985 -2.476 10.031 1.00 0.00 C ATOM 565 C LEU A 40 32.788 -3.965 9.766 1.00 0.00 C ATOM 566 O LEU A 40 33.593 -4.794 10.193 1.00 0.00 O ATOM 567 CB LEU A 40 31.845 -1.932 10.907 1.00 0.00 C ATOM 568 CG LEU A 40 31.539 -2.719 12.192 1.00 0.00 C ATOM 569 CD1 LEU A 40 30.502 -3.800 11.923 1.00 0.00 C ATOM 570 CD2 LEU A 40 32.803 -3.327 12.782 1.00 0.00 C ATOM 0 H LEU A 40 32.263 -1.094 8.629 1.00 0.00 H new ATOM 0 HA LEU A 40 33.929 -2.344 10.559 1.00 0.00 H new ATOM 0 HB2 LEU A 40 32.086 -0.906 11.184 1.00 0.00 H new ATOM 0 HB3 LEU A 40 30.938 -1.895 10.304 1.00 0.00 H new ATOM 0 HG LEU A 40 31.132 -2.020 12.922 1.00 0.00 H new ATOM 0 HD11 LEU A 40 30.298 -4.346 12.844 1.00 0.00 H new ATOM 0 HD12 LEU A 40 29.582 -3.340 11.563 1.00 0.00 H new ATOM 0 HD13 LEU A 40 30.882 -4.489 11.169 1.00 0.00 H new ATOM 0 HD21 LEU A 40 32.553 -3.877 13.689 1.00 0.00 H new ATOM 0 HD22 LEU A 40 33.252 -4.007 12.058 1.00 0.00 H new ATOM 0 HD23 LEU A 40 33.511 -2.533 13.022 1.00 0.00 H new ATOM 582 N CYS A 41 31.712 -4.296 9.063 1.00 0.00 N ATOM 583 CA CYS A 41 31.404 -5.682 8.742 1.00 0.00 C ATOM 584 C CYS A 41 32.506 -6.304 7.886 1.00 0.00 C ATOM 585 O CYS A 41 32.713 -7.517 7.913 1.00 0.00 O ATOM 586 CB CYS A 41 30.061 -5.767 8.017 1.00 0.00 C ATOM 587 SG CYS A 41 30.031 -6.935 6.617 1.00 0.00 S ATOM 0 H CYS A 41 31.037 -3.621 8.704 1.00 0.00 H new ATOM 0 HA CYS A 41 31.342 -6.243 9.675 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.293 -6.059 8.734 1.00 0.00 H new ATOM 0 HB3 CYS A 41 29.796 -4.775 7.652 1.00 0.00 H new ATOM 592 N GLU A 42 33.212 -5.466 7.132 1.00 0.00 N ATOM 593 CA GLU A 42 34.293 -5.938 6.275 1.00 0.00 C ATOM 594 C GLU A 42 35.446 -6.485 7.110 1.00 0.00 C ATOM 595 O GLU A 42 36.186 -7.365 6.666 1.00 0.00 O ATOM 596 CB GLU A 42 34.792 -4.807 5.376 1.00 0.00 C ATOM 597 CG GLU A 42 34.273 -4.889 3.949 1.00 0.00 C ATOM 598 CD GLU A 42 35.383 -4.812 2.919 1.00 0.00 C ATOM 599 OE1 GLU A 42 36.120 -5.807 2.765 1.00 0.00 O ATOM 600 OE2 GLU A 42 35.513 -3.754 2.266 1.00 0.00 O ATOM 0 H GLU A 42 33.055 -4.459 7.098 1.00 0.00 H new ATOM 0 HA GLU A 42 33.904 -6.742 5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 42 34.493 -3.852 5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 42 35.882 -4.822 5.359 1.00 0.00 H new ATOM 0 HG2 GLU A 42 33.726 -5.823 3.819 1.00 0.00 H new ATOM 0 HG3 GLU A 42 33.566 -4.078 3.777 1.00 0.00 H new ATOM 607 N LYS A 43 35.592 -5.958 8.321 1.00 0.00 N ATOM 608 CA LYS A 43 36.654 -6.391 9.222 1.00 0.00 C ATOM 609 C LYS A 43 36.230 -7.628 10.008 1.00 0.00 C ATOM 610 O LYS A 43 36.977 -8.128 10.849 1.00 0.00 O ATOM 611 CB LYS A 43 37.023 -5.262 10.186 1.00 0.00 C ATOM 612 CG LYS A 43 37.794 -4.129 9.530 1.00 0.00 C ATOM 613 CD LYS A 43 39.181 -3.975 10.132 1.00 0.00 C ATOM 614 CE LYS A 43 39.348 -2.625 10.810 1.00 0.00 C ATOM 615 NZ LYS A 43 39.676 -2.766 12.255 1.00 0.00 N ATOM 0 H LYS A 43 34.988 -5.230 8.702 1.00 0.00 H new ATOM 0 HA LYS A 43 37.526 -6.647 8.620 1.00 0.00 H new ATOM 0 HB2 LYS A 43 36.111 -4.861 10.629 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.619 -5.672 11.001 1.00 0.00 H new ATOM 0 HG2 LYS A 43 37.880 -4.318 8.460 1.00 0.00 H new ATOM 0 HG3 LYS A 43 37.241 -3.197 9.645 1.00 0.00 H new ATOM 0 HD2 LYS A 43 39.355 -4.771 10.856 1.00 0.00 H new ATOM 0 HD3 LYS A 43 39.932 -4.086 9.350 1.00 0.00 H new ATOM 0 HE2 LYS A 43 40.138 -2.064 10.311 1.00 0.00 H new ATOM 0 HE3 LYS A 43 38.430 -2.048 10.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 39.782 -1.823 12.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 38.910 -3.279 12.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 40.566 -3.294 12.359 1.00 0.00 H new ATOM 629 N ASP A 44 35.027 -8.116 9.726 1.00 0.00 N ATOM 630 CA ASP A 44 34.501 -9.295 10.405 1.00 0.00 C ATOM 631 C ASP A 44 34.052 -10.350 9.399 1.00 0.00 C ATOM 632 O ASP A 44 33.169 -10.102 8.579 1.00 0.00 O ATOM 633 CB ASP A 44 33.331 -8.908 11.312 1.00 0.00 C ATOM 634 CG ASP A 44 33.368 -9.629 12.645 1.00 0.00 C ATOM 635 OD1 ASP A 44 33.202 -10.867 12.655 1.00 0.00 O ATOM 636 OD2 ASP A 44 33.563 -8.956 13.679 1.00 0.00 O ATOM 0 H ASP A 44 34.397 -7.713 9.032 1.00 0.00 H new ATOM 0 HA ASP A 44 35.300 -9.718 11.014 1.00 0.00 H new ATOM 0 HB2 ASP A 44 33.349 -7.832 11.484 1.00 0.00 H new ATOM 0 HB3 ASP A 44 32.393 -9.134 10.806 1.00 0.00 H new ATOM 641 N ALA A 45 34.665 -11.528 9.470 1.00 0.00 N ATOM 642 CA ALA A 45 34.328 -12.621 8.567 1.00 0.00 C ATOM 643 C ALA A 45 32.992 -13.254 8.945 1.00 0.00 C ATOM 644 O ALA A 45 32.464 -14.094 8.216 1.00 0.00 O ATOM 645 CB ALA A 45 35.431 -13.669 8.573 1.00 0.00 C ATOM 0 H ALA A 45 35.398 -11.749 10.144 1.00 0.00 H new ATOM 0 HA ALA A 45 34.235 -12.213 7.561 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.166 -14.480 7.894 1.00 0.00 H new ATOM 0 HB2 ALA A 45 36.367 -13.214 8.248 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.551 -14.065 9.581 1.00 0.00 H new ATOM 651 N LYS A 46 32.452 -12.843 10.088 1.00 0.00 N ATOM 652 CA LYS A 46 31.178 -13.367 10.565 1.00 0.00 C ATOM 653 C LYS A 46 30.012 -12.581 9.977 1.00 0.00 C ATOM 654 O LYS A 46 28.861 -12.768 10.373 1.00 0.00 O ATOM 655 CB LYS A 46 31.123 -13.316 12.092 1.00 0.00 C ATOM 656 CG LYS A 46 31.947 -14.399 12.768 1.00 0.00 C ATOM 657 CD LYS A 46 31.119 -15.646 13.032 1.00 0.00 C ATOM 658 CE LYS A 46 31.122 -16.014 14.507 1.00 0.00 C ATOM 659 NZ LYS A 46 31.312 -17.476 14.714 1.00 0.00 N ATOM 0 H LYS A 46 32.878 -12.148 10.701 1.00 0.00 H new ATOM 0 HA LYS A 46 31.095 -14.404 10.239 1.00 0.00 H new ATOM 0 HB2 LYS A 46 31.476 -12.341 12.427 1.00 0.00 H new ATOM 0 HB3 LYS A 46 30.085 -13.407 12.413 1.00 0.00 H new ATOM 0 HG2 LYS A 46 32.800 -14.654 12.140 1.00 0.00 H new ATOM 0 HG3 LYS A 46 32.346 -14.020 13.709 1.00 0.00 H new ATOM 0 HD2 LYS A 46 30.094 -15.481 12.699 1.00 0.00 H new ATOM 0 HD3 LYS A 46 31.514 -16.477 12.448 1.00 0.00 H new ATOM 0 HE2 LYS A 46 31.917 -15.469 15.016 1.00 0.00 H new ATOM 0 HE3 LYS A 46 30.181 -15.702 14.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 31.308 -17.686 15.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 30.539 -17.996 14.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 32.221 -17.769 14.304 1.00 0.00 H new ATOM 673 N CYS A 47 30.316 -11.700 9.031 1.00 0.00 N ATOM 674 CA CYS A 47 29.294 -10.883 8.388 1.00 0.00 C ATOM 675 C CYS A 47 28.995 -11.390 6.980 1.00 0.00 C ATOM 676 O CYS A 47 29.908 -11.700 6.214 1.00 0.00 O ATOM 677 CB CYS A 47 29.739 -9.421 8.331 1.00 0.00 C ATOM 678 SG CYS A 47 28.738 -8.380 7.220 1.00 0.00 S ATOM 0 H CYS A 47 31.263 -11.533 8.692 1.00 0.00 H new ATOM 0 HA CYS A 47 28.383 -10.956 8.982 1.00 0.00 H new ATOM 0 HB2 CYS A 47 29.701 -9.002 9.336 1.00 0.00 H new ATOM 0 HB3 CYS A 47 30.779 -9.382 8.008 1.00 0.00 H new ATOM 683 N ARG A 48 27.710 -11.466 6.646 1.00 0.00 N ATOM 684 CA ARG A 48 27.286 -11.932 5.331 1.00 0.00 C ATOM 685 C ARG A 48 26.183 -11.039 4.772 1.00 0.00 C ATOM 686 O ARG A 48 26.288 -10.528 3.657 1.00 0.00 O ATOM 687 CB ARG A 48 26.797 -13.379 5.411 1.00 0.00 C ATOM 688 CG ARG A 48 27.672 -14.360 4.647 1.00 0.00 C ATOM 689 CD ARG A 48 28.068 -15.545 5.511 1.00 0.00 C ATOM 690 NE ARG A 48 28.367 -16.731 4.712 1.00 0.00 N ATOM 691 CZ ARG A 48 27.668 -17.860 4.776 1.00 0.00 C ATOM 692 NH1 ARG A 48 26.634 -17.957 5.601 1.00 0.00 N ATOM 693 NH2 ARG A 48 28.003 -18.893 4.017 1.00 0.00 N ATOM 0 H ARG A 48 26.944 -11.210 7.269 1.00 0.00 H new ATOM 0 HA ARG A 48 28.144 -11.885 4.660 1.00 0.00 H new ATOM 0 HB2 ARG A 48 26.754 -13.682 6.457 1.00 0.00 H new ATOM 0 HB3 ARG A 48 25.780 -13.432 5.022 1.00 0.00 H new ATOM 0 HG2 ARG A 48 27.138 -14.714 3.765 1.00 0.00 H new ATOM 0 HG3 ARG A 48 28.569 -13.850 4.294 1.00 0.00 H new ATOM 0 HD2 ARG A 48 28.940 -15.282 6.109 1.00 0.00 H new ATOM 0 HD3 ARG A 48 27.261 -15.771 6.207 1.00 0.00 H new ATOM 0 HE ARG A 48 29.157 -16.690 4.068 1.00 0.00 H new ATOM 0 HH11 ARG A 48 26.374 -17.164 6.188 1.00 0.00 H new ATOM 0 HH12 ARG A 48 26.099 -18.824 5.648 1.00 0.00 H new ATOM 0 HH21 ARG A 48 28.798 -18.823 3.382 1.00 0.00 H new ATOM 0 HH22 ARG A 48 27.466 -19.758 4.067 1.00 0.00 H new ATOM 707 N PHE A 49 25.127 -10.854 5.557 1.00 0.00 N ATOM 708 CA PHE A 49 24.002 -10.019 5.147 1.00 0.00 C ATOM 709 C PHE A 49 23.843 -8.831 6.089 1.00 0.00 C ATOM 710 O PHE A 49 23.034 -8.868 7.015 1.00 0.00 O ATOM 711 CB PHE A 49 22.705 -10.834 5.119 1.00 0.00 C ATOM 712 CG PHE A 49 22.907 -12.305 4.892 1.00 0.00 C ATOM 713 CD1 PHE A 49 23.496 -12.768 3.725 1.00 0.00 C ATOM 714 CD2 PHE A 49 22.504 -13.226 5.845 1.00 0.00 C ATOM 715 CE1 PHE A 49 23.679 -14.121 3.515 1.00 0.00 C ATOM 716 CE2 PHE A 49 22.685 -14.580 5.642 1.00 0.00 C ATOM 717 CZ PHE A 49 23.272 -15.029 4.475 1.00 0.00 C ATOM 0 H PHE A 49 25.026 -11.271 6.482 1.00 0.00 H new ATOM 0 HA PHE A 49 24.208 -9.649 4.143 1.00 0.00 H new ATOM 0 HB2 PHE A 49 22.180 -10.692 6.063 1.00 0.00 H new ATOM 0 HB3 PHE A 49 22.059 -10.442 4.333 1.00 0.00 H new ATOM 0 HD1 PHE A 49 23.815 -12.063 2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 49 22.042 -12.881 6.758 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.139 -14.469 2.602 1.00 0.00 H new ATOM 0 HE2 PHE A 49 22.368 -15.287 6.395 1.00 0.00 H new ATOM 0 HZ PHE A 49 23.413 -16.087 4.313 1.00 0.00 H new ATOM 727 N PHE A 50 24.617 -7.778 5.850 1.00 0.00 N ATOM 728 CA PHE A 50 24.555 -6.584 6.684 1.00 0.00 C ATOM 729 C PHE A 50 23.219 -5.867 6.503 1.00 0.00 C ATOM 730 O PHE A 50 22.557 -6.017 5.476 1.00 0.00 O ATOM 731 CB PHE A 50 25.717 -5.641 6.352 1.00 0.00 C ATOM 732 CG PHE A 50 25.422 -4.679 5.236 1.00 0.00 C ATOM 733 CD1 PHE A 50 25.480 -5.090 3.914 1.00 0.00 C ATOM 734 CD2 PHE A 50 25.085 -3.364 5.510 1.00 0.00 C ATOM 735 CE1 PHE A 50 25.209 -4.207 2.887 1.00 0.00 C ATOM 736 CE2 PHE A 50 24.811 -2.475 4.488 1.00 0.00 C ATOM 737 CZ PHE A 50 24.873 -2.898 3.175 1.00 0.00 C ATOM 0 H PHE A 50 25.293 -7.727 5.088 1.00 0.00 H new ATOM 0 HA PHE A 50 24.640 -6.889 7.727 1.00 0.00 H new ATOM 0 HB2 PHE A 50 25.979 -5.075 7.246 1.00 0.00 H new ATOM 0 HB3 PHE A 50 26.590 -6.236 6.084 1.00 0.00 H new ATOM 0 HD1 PHE A 50 25.740 -6.113 3.684 1.00 0.00 H new ATOM 0 HD2 PHE A 50 25.036 -3.029 6.536 1.00 0.00 H new ATOM 0 HE1 PHE A 50 25.260 -4.539 1.861 1.00 0.00 H new ATOM 0 HE2 PHE A 50 24.549 -1.452 4.716 1.00 0.00 H new ATOM 0 HZ PHE A 50 24.659 -2.206 2.374 1.00 0.00 H new ATOM 747 N THR A 51 22.830 -5.089 7.508 1.00 0.00 N ATOM 748 CA THR A 51 21.575 -4.350 7.461 1.00 0.00 C ATOM 749 C THR A 51 21.617 -3.138 8.388 1.00 0.00 C ATOM 750 O THR A 51 21.459 -3.264 9.602 1.00 0.00 O ATOM 751 CB THR A 51 20.380 -5.246 7.848 1.00 0.00 C ATOM 752 OG1 THR A 51 20.183 -6.253 6.848 1.00 0.00 O ATOM 753 CG2 THR A 51 19.107 -4.425 8.003 1.00 0.00 C ATOM 0 H THR A 51 23.367 -4.954 8.365 1.00 0.00 H new ATOM 0 HA THR A 51 21.443 -4.011 6.434 1.00 0.00 H new ATOM 0 HB THR A 51 20.605 -5.717 8.805 1.00 0.00 H new ATOM 0 HG1 THR A 51 20.931 -6.236 6.215 1.00 0.00 H new ATOM 0 HG21 THR A 51 18.281 -5.082 8.276 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.249 -3.677 8.783 1.00 0.00 H new ATOM 0 HG23 THR A 51 18.878 -3.927 7.061 1.00 0.00 H new ATOM 761 N LEU A 52 21.833 -1.963 7.803 1.00 0.00 N ATOM 762 CA LEU A 52 21.897 -0.725 8.569 1.00 0.00 C ATOM 763 C LEU A 52 20.527 -0.056 8.630 1.00 0.00 C ATOM 764 O LEU A 52 19.660 -0.324 7.799 1.00 0.00 O ATOM 765 CB LEU A 52 22.920 0.229 7.945 1.00 0.00 C ATOM 766 CG LEU A 52 23.040 1.594 8.627 1.00 0.00 C ATOM 767 CD1 LEU A 52 24.432 1.778 9.211 1.00 0.00 C ATOM 768 CD2 LEU A 52 22.718 2.710 7.646 1.00 0.00 C ATOM 0 H LEU A 52 21.967 -1.844 6.799 1.00 0.00 H new ATOM 0 HA LEU A 52 22.209 -0.966 9.585 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.898 -0.253 7.958 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.656 0.385 6.899 1.00 0.00 H new ATOM 0 HG LEU A 52 22.318 1.636 9.443 1.00 0.00 H new ATOM 0 HD11 LEU A 52 24.499 2.754 9.692 1.00 0.00 H new ATOM 0 HD12 LEU A 52 24.624 0.997 9.947 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.172 1.715 8.414 1.00 0.00 H new ATOM 0 HD21 LEU A 52 22.808 3.673 8.148 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.415 2.671 6.809 1.00 0.00 H new ATOM 0 HD23 LEU A 52 21.700 2.587 7.277 1.00 0.00 H new ATOM 780 N ALA A 53 20.338 0.813 9.618 1.00 0.00 N ATOM 781 CA ALA A 53 19.075 1.519 9.786 1.00 0.00 C ATOM 782 C ALA A 53 19.299 3.025 9.873 1.00 0.00 C ATOM 783 O ALA A 53 20.342 3.532 9.461 1.00 0.00 O ATOM 784 CB ALA A 53 18.349 1.015 11.024 1.00 0.00 C ATOM 0 H ALA A 53 21.046 1.045 10.315 1.00 0.00 H new ATOM 0 HA ALA A 53 18.454 1.321 8.912 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.407 1.551 11.137 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.149 -0.051 10.920 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.970 1.183 11.904 1.00 0.00 H new ATOM 790 N SER A 54 18.312 3.734 10.412 1.00 0.00 N ATOM 791 CA SER A 54 18.398 5.183 10.555 1.00 0.00 C ATOM 792 C SER A 54 19.653 5.583 11.326 1.00 0.00 C ATOM 793 O SER A 54 20.114 6.721 11.233 1.00 0.00 O ATOM 794 CB SER A 54 17.156 5.720 11.269 1.00 0.00 C ATOM 795 OG SER A 54 16.742 6.956 10.714 1.00 0.00 O ATOM 0 H SER A 54 17.442 3.328 10.757 1.00 0.00 H new ATOM 0 HA SER A 54 18.453 5.617 9.557 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.346 4.994 11.192 1.00 0.00 H new ATOM 0 HB3 SER A 54 17.370 5.848 12.330 1.00 0.00 H new ATOM 0 HG SER A 54 15.946 7.277 11.187 1.00 0.00 H new ATOM 801 N GLY A 55 20.202 4.639 12.084 1.00 0.00 N ATOM 802 CA GLY A 55 21.399 4.910 12.857 1.00 0.00 C ATOM 803 C GLY A 55 21.887 3.693 13.618 1.00 0.00 C ATOM 804 O GLY A 55 22.383 3.811 14.739 1.00 0.00 O ATOM 0 H GLY A 55 19.838 3.690 12.176 1.00 0.00 H new ATOM 0 HA2 GLY A 55 22.188 5.257 12.190 1.00 0.00 H new ATOM 0 HA3 GLY A 55 21.198 5.718 13.561 1.00 0.00 H new ATOM 808 N LYS A 56 21.743 2.520 13.009 1.00 0.00 N ATOM 809 CA LYS A 56 22.171 1.275 13.638 1.00 0.00 C ATOM 810 C LYS A 56 22.372 0.175 12.600 1.00 0.00 C ATOM 811 O LYS A 56 21.427 -0.234 11.925 1.00 0.00 O ATOM 812 CB LYS A 56 21.142 0.828 14.676 1.00 0.00 C ATOM 813 CG LYS A 56 21.699 -0.140 15.706 1.00 0.00 C ATOM 814 CD LYS A 56 20.717 -0.370 16.842 1.00 0.00 C ATOM 815 CE LYS A 56 21.375 -0.174 18.198 1.00 0.00 C ATOM 816 NZ LYS A 56 20.430 0.390 19.200 1.00 0.00 N ATOM 0 H LYS A 56 21.334 2.405 12.082 1.00 0.00 H new ATOM 0 HA LYS A 56 23.125 1.458 14.132 1.00 0.00 H new ATOM 0 HB2 LYS A 56 20.751 1.706 15.189 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.302 0.358 14.164 1.00 0.00 H new ATOM 0 HG2 LYS A 56 21.930 -1.091 15.226 1.00 0.00 H new ATOM 0 HG3 LYS A 56 22.635 0.251 16.106 1.00 0.00 H new ATOM 0 HD2 LYS A 56 19.877 0.317 16.742 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.313 -1.380 16.776 1.00 0.00 H new ATOM 0 HE2 LYS A 56 21.757 -1.130 18.557 1.00 0.00 H new ATOM 0 HE3 LYS A 56 22.232 0.492 18.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 20.919 0.508 20.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 20.085 1.314 18.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 19.625 -0.257 19.321 1.00 0.00 H new ATOM 830 N CYS A 57 23.606 -0.303 12.485 1.00 0.00 N ATOM 831 CA CYS A 57 23.933 -1.363 11.536 1.00 0.00 C ATOM 832 C CYS A 57 23.841 -2.730 12.206 1.00 0.00 C ATOM 833 O CYS A 57 24.033 -2.850 13.416 1.00 0.00 O ATOM 834 CB CYS A 57 25.337 -1.149 10.964 1.00 0.00 C ATOM 835 SG CYS A 57 26.168 -2.677 10.423 1.00 0.00 S ATOM 0 H CYS A 57 24.398 0.027 13.037 1.00 0.00 H new ATOM 0 HA CYS A 57 23.211 -1.328 10.720 1.00 0.00 H new ATOM 0 HB2 CYS A 57 25.271 -0.466 10.117 1.00 0.00 H new ATOM 0 HB3 CYS A 57 25.954 -0.662 11.719 1.00 0.00 H new ATOM 840 N SER A 58 23.546 -3.758 11.416 1.00 0.00 N ATOM 841 CA SER A 58 23.430 -5.115 11.942 1.00 0.00 C ATOM 842 C SER A 58 23.812 -6.147 10.887 1.00 0.00 C ATOM 843 O SER A 58 23.111 -6.318 9.891 1.00 0.00 O ATOM 844 CB SER A 58 22.004 -5.375 12.431 1.00 0.00 C ATOM 845 OG SER A 58 21.595 -4.386 13.361 1.00 0.00 O ATOM 0 H SER A 58 23.383 -3.678 10.412 1.00 0.00 H new ATOM 0 HA SER A 58 24.119 -5.210 12.781 1.00 0.00 H new ATOM 0 HB2 SER A 58 21.321 -5.384 11.582 1.00 0.00 H new ATOM 0 HB3 SER A 58 21.949 -6.360 12.895 1.00 0.00 H new ATOM 0 HG SER A 58 20.680 -4.574 13.657 1.00 0.00 H new ATOM 851 N LEU A 59 24.924 -6.838 11.117 1.00 0.00 N ATOM 852 CA LEU A 59 25.395 -7.859 10.190 1.00 0.00 C ATOM 853 C LEU A 59 24.915 -9.239 10.628 1.00 0.00 C ATOM 854 O LEU A 59 25.024 -9.599 11.801 1.00 0.00 O ATOM 855 CB LEU A 59 26.924 -7.837 10.088 1.00 0.00 C ATOM 856 CG LEU A 59 27.651 -7.123 11.232 1.00 0.00 C ATOM 857 CD1 LEU A 59 29.034 -7.722 11.438 1.00 0.00 C ATOM 858 CD2 LEU A 59 27.750 -5.632 10.956 1.00 0.00 C ATOM 0 H LEU A 59 25.515 -6.709 11.938 1.00 0.00 H new ATOM 0 HA LEU A 59 24.981 -7.641 9.205 1.00 0.00 H new ATOM 0 HB2 LEU A 59 27.282 -8.865 10.039 1.00 0.00 H new ATOM 0 HB3 LEU A 59 27.201 -7.358 9.149 1.00 0.00 H new ATOM 0 HG LEU A 59 27.075 -7.263 12.146 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.537 -7.204 12.254 1.00 0.00 H new ATOM 0 HD12 LEU A 59 28.939 -8.780 11.684 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.618 -7.612 10.524 1.00 0.00 H new ATOM 0 HD21 LEU A 59 28.270 -5.143 11.780 1.00 0.00 H new ATOM 0 HD22 LEU A 59 28.303 -5.469 10.031 1.00 0.00 H new ATOM 0 HD23 LEU A 59 26.749 -5.213 10.859 1.00 0.00 H new ATOM 870 N PHE A 60 24.373 -10.001 9.684 1.00 0.00 N ATOM 871 CA PHE A 60 23.862 -11.335 9.979 1.00 0.00 C ATOM 872 C PHE A 60 24.616 -12.404 9.196 1.00 0.00 C ATOM 873 O PHE A 60 24.619 -12.402 7.966 1.00 0.00 O ATOM 874 CB PHE A 60 22.367 -11.401 9.658 1.00 0.00 C ATOM 875 CG PHE A 60 21.589 -10.258 10.247 1.00 0.00 C ATOM 876 CD1 PHE A 60 21.130 -10.315 11.552 1.00 0.00 C ATOM 877 CD2 PHE A 60 21.326 -9.123 9.497 1.00 0.00 C ATOM 878 CE1 PHE A 60 20.425 -9.260 12.099 1.00 0.00 C ATOM 879 CE2 PHE A 60 20.620 -8.067 10.038 1.00 0.00 C ATOM 880 CZ PHE A 60 20.170 -8.134 11.341 1.00 0.00 C ATOM 0 H PHE A 60 24.276 -9.718 8.709 1.00 0.00 H new ATOM 0 HA PHE A 60 24.013 -11.530 11.041 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.233 -11.405 8.576 1.00 0.00 H new ATOM 0 HB3 PHE A 60 21.962 -12.341 10.033 1.00 0.00 H new ATOM 0 HD1 PHE A 60 21.325 -11.194 12.149 1.00 0.00 H new ATOM 0 HD2 PHE A 60 21.677 -9.064 8.477 1.00 0.00 H new ATOM 0 HE1 PHE A 60 20.074 -9.316 13.119 1.00 0.00 H new ATOM 0 HE2 PHE A 60 20.420 -7.189 9.442 1.00 0.00 H new ATOM 0 HZ PHE A 60 19.620 -7.308 11.767 1.00 0.00 H new ATOM 890 N ALA A 61 25.255 -13.318 9.921 1.00 0.00 N ATOM 891 CA ALA A 61 26.013 -14.397 9.300 1.00 0.00 C ATOM 892 C ALA A 61 25.090 -15.397 8.617 1.00 0.00 C ATOM 893 O ALA A 61 25.054 -15.489 7.391 1.00 0.00 O ATOM 894 CB ALA A 61 26.877 -15.099 10.337 1.00 0.00 C ATOM 0 H ALA A 61 25.262 -13.332 10.941 1.00 0.00 H new ATOM 0 HA ALA A 61 26.658 -13.960 8.538 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.438 -15.903 9.860 1.00 0.00 H new ATOM 0 HB2 ALA A 61 27.572 -14.383 10.777 1.00 0.00 H new ATOM 0 HB3 ALA A 61 26.241 -15.515 11.119 1.00 0.00 H new ATOM 900 N ASP A 62 24.346 -16.144 9.423 1.00 0.00 N ATOM 901 CA ASP A 62 23.418 -17.143 8.904 1.00 0.00 C ATOM 902 C ASP A 62 22.014 -16.921 9.458 1.00 0.00 C ATOM 903 O ASP A 62 21.021 -17.199 8.786 1.00 0.00 O ATOM 904 CB ASP A 62 23.901 -18.551 9.257 1.00 0.00 C ATOM 905 CG ASP A 62 23.607 -19.555 8.160 1.00 0.00 C ATOM 906 OD1 ASP A 62 22.417 -19.867 7.945 1.00 0.00 O ATOM 907 OD2 ASP A 62 24.566 -20.030 7.518 1.00 0.00 O ATOM 0 H ASP A 62 24.367 -16.077 10.441 1.00 0.00 H new ATOM 0 HA ASP A 62 23.382 -17.040 7.819 1.00 0.00 H new ATOM 0 HB2 ASP A 62 24.974 -18.527 9.446 1.00 0.00 H new ATOM 0 HB3 ASP A 62 23.422 -18.876 10.181 1.00 0.00 H new ATOM 912 N ASP A 63 21.943 -16.413 10.686 1.00 0.00 N ATOM 913 CA ASP A 63 20.665 -16.148 11.337 1.00 0.00 C ATOM 914 C ASP A 63 19.759 -17.376 11.297 1.00 0.00 C ATOM 915 O ASP A 63 20.230 -18.500 11.120 1.00 0.00 O ATOM 916 CB ASP A 63 19.974 -14.960 10.667 1.00 0.00 C ATOM 917 CG ASP A 63 19.202 -14.106 11.654 1.00 0.00 C ATOM 918 OD1 ASP A 63 19.845 -13.438 12.490 1.00 0.00 O ATOM 919 OD2 ASP A 63 17.955 -14.106 11.590 1.00 0.00 O ATOM 0 H ASP A 63 22.759 -16.176 11.251 1.00 0.00 H new ATOM 0 HA ASP A 63 20.859 -15.908 12.382 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.721 -14.345 10.165 1.00 0.00 H new ATOM 0 HB3 ASP A 63 19.294 -15.326 9.898 1.00 0.00 H new ATOM 924 N ALA A 64 18.458 -17.156 11.466 1.00 0.00 N ATOM 925 CA ALA A 64 17.490 -18.246 11.450 1.00 0.00 C ATOM 926 C ALA A 64 16.408 -18.007 10.404 1.00 0.00 C ATOM 927 O ALA A 64 15.920 -18.948 9.776 1.00 0.00 O ATOM 928 CB ALA A 64 16.868 -18.417 12.827 1.00 0.00 C ATOM 0 H ALA A 64 18.051 -16.233 11.615 1.00 0.00 H new ATOM 0 HA ALA A 64 18.017 -19.162 11.184 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.147 -19.234 12.802 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.649 -18.644 13.553 1.00 0.00 H new ATOM 0 HB3 ALA A 64 16.362 -17.495 13.115 1.00 0.00 H new ATOM 934 N ALA A 65 16.034 -16.745 10.222 1.00 0.00 N ATOM 935 CA ALA A 65 15.007 -16.385 9.251 1.00 0.00 C ATOM 936 C ALA A 65 15.145 -14.932 8.812 1.00 0.00 C ATOM 937 O ALA A 65 14.936 -14.606 7.643 1.00 0.00 O ATOM 938 CB ALA A 65 13.623 -16.632 9.834 1.00 0.00 C ATOM 0 H ALA A 65 16.426 -15.955 10.734 1.00 0.00 H new ATOM 0 HA ALA A 65 15.140 -17.014 8.371 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.865 -16.359 9.100 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.519 -17.687 10.089 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.493 -16.027 10.731 1.00 0.00 H new ATOM 944 N LEU A 66 15.498 -14.065 9.757 1.00 0.00 N ATOM 945 CA LEU A 66 15.666 -12.642 9.474 1.00 0.00 C ATOM 946 C LEU A 66 14.379 -12.042 8.914 1.00 0.00 C ATOM 947 O LEU A 66 14.125 -12.104 7.710 1.00 0.00 O ATOM 948 CB LEU A 66 16.817 -12.425 8.488 1.00 0.00 C ATOM 949 CG LEU A 66 18.157 -12.057 9.129 1.00 0.00 C ATOM 950 CD1 LEU A 66 19.281 -12.158 8.110 1.00 0.00 C ATOM 951 CD2 LEU A 66 18.098 -10.659 9.724 1.00 0.00 C ATOM 0 H LEU A 66 15.674 -14.324 10.728 1.00 0.00 H new ATOM 0 HA LEU A 66 15.903 -12.138 10.411 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.949 -13.334 7.902 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.535 -11.635 7.792 1.00 0.00 H new ATOM 0 HG LEU A 66 18.359 -12.764 9.934 1.00 0.00 H new ATOM 0 HD11 LEU A 66 20.226 -11.893 8.583 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.338 -13.179 7.732 1.00 0.00 H new ATOM 0 HD13 LEU A 66 19.085 -11.475 7.283 1.00 0.00 H new ATOM 0 HD21 LEU A 66 19.060 -10.415 10.175 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.873 -9.938 8.938 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.319 -10.620 10.486 1.00 0.00 H new ATOM 963 N ARG A 67 13.569 -11.461 9.794 1.00 0.00 N ATOM 964 CA ARG A 67 12.308 -10.850 9.388 1.00 0.00 C ATOM 965 C ARG A 67 12.434 -9.330 9.324 1.00 0.00 C ATOM 966 O ARG A 67 13.303 -8.745 9.968 1.00 0.00 O ATOM 967 CB ARG A 67 11.195 -11.239 10.362 1.00 0.00 C ATOM 968 CG ARG A 67 10.886 -12.728 10.371 1.00 0.00 C ATOM 969 CD ARG A 67 9.607 -13.036 9.611 1.00 0.00 C ATOM 970 NE ARG A 67 8.477 -12.251 10.100 1.00 0.00 N ATOM 971 CZ ARG A 67 7.553 -12.726 10.931 1.00 0.00 C ATOM 972 NH1 ARG A 67 7.621 -13.980 11.357 1.00 0.00 N ATOM 973 NH2 ARG A 67 6.560 -11.946 11.335 1.00 0.00 N ATOM 0 H ARG A 67 13.764 -11.401 10.793 1.00 0.00 H new ATOM 0 HA ARG A 67 12.058 -11.218 8.393 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.479 -10.929 11.368 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.289 -10.690 10.104 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.716 -13.276 9.925 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.791 -13.075 11.400 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.758 -12.833 8.551 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.378 -14.098 9.703 1.00 0.00 H new ATOM 0 HE ARG A 67 8.391 -11.284 9.787 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.383 -14.583 11.048 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.911 -14.341 11.994 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.504 -10.981 11.009 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.852 -12.311 11.972 1.00 0.00 H new ATOM 987 N PRO A 68 11.559 -8.666 8.546 1.00 0.00 N ATOM 988 CA PRO A 68 11.573 -7.206 8.405 1.00 0.00 C ATOM 989 C PRO A 68 11.280 -6.496 9.722 1.00 0.00 C ATOM 990 O PRO A 68 11.197 -7.128 10.775 1.00 0.00 O ATOM 991 CB PRO A 68 10.462 -6.926 7.387 1.00 0.00 C ATOM 992 CG PRO A 68 9.583 -8.128 7.436 1.00 0.00 C ATOM 993 CD PRO A 68 10.485 -9.285 7.748 1.00 0.00 C ATOM 0 HA PRO A 68 12.551 -6.840 8.093 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.910 -6.022 7.644 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.871 -6.776 6.388 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.812 -8.017 8.199 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.072 -8.277 6.485 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.964 -10.063 8.307 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.873 -9.750 6.841 1.00 0.00 H new ATOM 1001 N THR A 69 11.124 -5.177 9.656 1.00 0.00 N ATOM 1002 CA THR A 69 10.842 -4.382 10.845 1.00 0.00 C ATOM 1003 C THR A 69 9.773 -3.326 10.564 1.00 0.00 C ATOM 1004 O THR A 69 8.580 -3.630 10.562 1.00 0.00 O ATOM 1005 CB THR A 69 12.118 -3.699 11.375 1.00 0.00 C ATOM 1006 OG1 THR A 69 13.169 -4.663 11.508 1.00 0.00 O ATOM 1007 CG2 THR A 69 11.866 -3.033 12.719 1.00 0.00 C ATOM 0 H THR A 69 11.188 -4.638 8.793 1.00 0.00 H new ATOM 0 HA THR A 69 10.468 -5.066 11.607 1.00 0.00 H new ATOM 0 HB THR A 69 12.412 -2.931 10.659 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.000 -4.208 11.758 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.784 -2.560 13.068 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.087 -2.279 12.611 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.547 -3.783 13.443 1.00 0.00 H new ATOM 1015 N LYS A 70 10.204 -2.087 10.326 1.00 0.00 N ATOM 1016 CA LYS A 70 9.278 -0.994 10.046 1.00 0.00 C ATOM 1017 C LYS A 70 10.030 0.294 9.729 1.00 0.00 C ATOM 1018 O LYS A 70 9.503 1.181 9.058 1.00 0.00 O ATOM 1019 CB LYS A 70 8.349 -0.763 11.240 1.00 0.00 C ATOM 1020 CG LYS A 70 9.062 -0.795 12.582 1.00 0.00 C ATOM 1021 CD LYS A 70 9.350 0.607 13.094 1.00 0.00 C ATOM 1022 CE LYS A 70 10.056 0.575 14.439 1.00 0.00 C ATOM 1023 NZ LYS A 70 9.478 1.560 15.394 1.00 0.00 N ATOM 0 H LYS A 70 11.188 -1.817 10.322 1.00 0.00 H new ATOM 0 HA LYS A 70 8.685 -1.275 9.176 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.855 0.202 11.124 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.568 -1.524 11.235 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.449 -1.330 13.308 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.997 -1.347 12.485 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.967 1.140 12.371 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.416 1.161 13.185 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.984 -0.427 14.863 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.116 0.786 14.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.988 1.506 16.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.569 2.519 15.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.473 1.344 15.549 1.00 0.00 H new ATOM 1037 N SER A 71 11.260 0.389 10.225 1.00 0.00 N ATOM 1038 CA SER A 71 12.092 1.569 10.008 1.00 0.00 C ATOM 1039 C SER A 71 12.134 1.957 8.532 1.00 0.00 C ATOM 1040 O SER A 71 12.892 1.382 7.751 1.00 0.00 O ATOM 1041 CB SER A 71 13.511 1.318 10.519 1.00 0.00 C ATOM 1042 OG SER A 71 14.175 2.537 10.806 1.00 0.00 O ATOM 0 H SER A 71 11.705 -0.340 10.782 1.00 0.00 H new ATOM 0 HA SER A 71 11.649 2.395 10.564 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.473 0.701 11.417 1.00 0.00 H new ATOM 0 HB3 SER A 71 14.076 0.760 9.772 1.00 0.00 H new ATOM 0 HG SER A 71 15.079 2.348 11.133 1.00 0.00 H new ATOM 1048 N ASP A 72 11.320 2.940 8.162 1.00 0.00 N ATOM 1049 CA ASP A 72 11.265 3.408 6.781 1.00 0.00 C ATOM 1050 C ASP A 72 12.449 4.319 6.470 1.00 0.00 C ATOM 1051 O ASP A 72 12.335 5.543 6.523 1.00 0.00 O ATOM 1052 CB ASP A 72 9.952 4.152 6.527 1.00 0.00 C ATOM 1053 CG ASP A 72 9.199 3.604 5.331 1.00 0.00 C ATOM 1054 OD1 ASP A 72 8.784 2.427 5.379 1.00 0.00 O ATOM 1055 OD2 ASP A 72 9.023 4.352 4.346 1.00 0.00 O ATOM 0 H ASP A 72 10.690 3.428 8.798 1.00 0.00 H new ATOM 0 HA ASP A 72 11.316 2.540 6.124 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.321 4.083 7.413 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.162 5.210 6.367 1.00 0.00 H new ATOM 1060 N GLY A 73 13.586 3.710 6.145 1.00 0.00 N ATOM 1061 CA GLY A 73 14.776 4.479 5.830 1.00 0.00 C ATOM 1062 C GLY A 73 16.042 3.650 5.916 1.00 0.00 C ATOM 1063 O GLY A 73 17.094 4.058 5.422 1.00 0.00 O ATOM 0 H GLY A 73 13.704 2.698 6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.683 4.891 4.825 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.851 5.323 6.515 1.00 0.00 H new ATOM 1067 N ALA A 74 15.940 2.483 6.545 1.00 0.00 N ATOM 1068 CA ALA A 74 17.084 1.591 6.696 1.00 0.00 C ATOM 1069 C ALA A 74 17.642 1.173 5.341 1.00 0.00 C ATOM 1070 O ALA A 74 16.940 1.213 4.329 1.00 0.00 O ATOM 1071 CB ALA A 74 16.692 0.362 7.499 1.00 0.00 C ATOM 0 H ALA A 74 15.076 2.133 6.959 1.00 0.00 H new ATOM 0 HA ALA A 74 17.863 2.134 7.231 1.00 0.00 H new ATOM 0 HB1 ALA A 74 17.556 -0.295 7.604 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.347 0.668 8.487 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.892 -0.170 6.983 1.00 0.00 H new ATOM 1077 N VAL A 75 18.906 0.767 5.331 1.00 0.00 N ATOM 1078 CA VAL A 75 19.563 0.333 4.103 1.00 0.00 C ATOM 1079 C VAL A 75 20.304 -0.982 4.316 1.00 0.00 C ATOM 1080 O VAL A 75 21.337 -1.022 4.984 1.00 0.00 O ATOM 1081 CB VAL A 75 20.558 1.391 3.589 1.00 0.00 C ATOM 1082 CG1 VAL A 75 20.843 1.172 2.113 1.00 0.00 C ATOM 1083 CG2 VAL A 75 20.030 2.796 3.836 1.00 0.00 C ATOM 0 H VAL A 75 19.498 0.729 6.161 1.00 0.00 H new ATOM 0 HA VAL A 75 18.780 0.193 3.358 1.00 0.00 H new ATOM 0 HB VAL A 75 21.492 1.283 4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 75 21.547 1.926 1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 75 21.272 0.180 1.968 1.00 0.00 H new ATOM 0 HG13 VAL A 75 19.915 1.252 1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 75 20.750 3.526 3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 75 19.081 2.925 3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 75 19.880 2.946 4.905 1.00 0.00 H new ATOM 1093 N SER A 76 19.769 -2.058 3.746 1.00 0.00 N ATOM 1094 CA SER A 76 20.382 -3.375 3.876 1.00 0.00 C ATOM 1095 C SER A 76 20.939 -3.854 2.539 1.00 0.00 C ATOM 1096 O SER A 76 20.778 -3.191 1.514 1.00 0.00 O ATOM 1097 CB SER A 76 19.361 -4.385 4.407 1.00 0.00 C ATOM 1098 OG SER A 76 18.149 -3.744 4.766 1.00 0.00 O ATOM 0 H SER A 76 18.914 -2.043 3.191 1.00 0.00 H new ATOM 0 HA SER A 76 21.207 -3.294 4.583 1.00 0.00 H new ATOM 0 HB2 SER A 76 19.165 -5.142 3.648 1.00 0.00 H new ATOM 0 HB3 SER A 76 19.773 -4.902 5.273 1.00 0.00 H new ATOM 0 HG SER A 76 17.513 -4.410 5.100 1.00 0.00 H new ATOM 1104 N GLY A 77 21.595 -5.011 2.559 1.00 0.00 N ATOM 1105 CA GLY A 77 22.167 -5.562 1.344 1.00 0.00 C ATOM 1106 C GLY A 77 22.552 -7.021 1.495 1.00 0.00 C ATOM 1107 O GLY A 77 23.531 -7.344 2.169 1.00 0.00 O ATOM 0 H GLY A 77 21.740 -5.576 3.395 1.00 0.00 H new ATOM 0 HA2 GLY A 77 21.449 -5.461 0.530 1.00 0.00 H new ATOM 0 HA3 GLY A 77 23.048 -4.984 1.066 1.00 0.00 H new