USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 399 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 22 LYS NZ :NH3+ 164:sc= -0.0997 (180deg=-0.252) USER MOD Set 1.2: A 25 CYS SG : rot 180:sc= -1.9! USER MOD Single : A 35 GLN : amide:sc= -19.7! C(o=-20!,f=-12!) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.691 USER MOD Single : A 38 GLN : amide:sc= -1.42 K(o=-1.4,f=-0.53) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -78:sc= 0.925 USER MOD Single : A 44 GLN : amide:sc= -2.4 K(o=-2.4,f=-0.12) USER MOD Single : A 48 ASN : amide:sc= -6.04! C(o=-6!,f=-9.7!) USER MOD Single : A 53 LYS NZ :NH3+ -99:sc= -0.376 (180deg=-1.54!) USER MOD Single : A 68 CYS SG : rot -81:sc= -0.646 USER MOD Single : A 72 ASN : amide:sc= -2.97! K(o=-3!,f=-1) USER MOD Single : A 73 THR OG1 : rot 94:sc= 0.834 USER MOD Single : A 75 ASN : amide:sc= -10.3! C(o=-10!,f=-14!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 44:sc= -2.24 USER MOD ----------------------------------------------------------------- ATOM 293 N GLU A 20 4.392 8.847 -2.323 1.00 1.00 N ATOM 294 CA GLU A 20 3.550 7.771 -1.822 1.00 1.00 C ATOM 295 C GLU A 20 2.304 7.636 -2.688 1.00 1.00 C ATOM 296 O GLU A 20 1.872 6.527 -3.000 1.00 1.00 O ATOM 297 CB GLU A 20 3.142 8.056 -0.376 1.00 1.00 C ATOM 298 CG GLU A 20 3.806 7.038 0.551 1.00 1.00 C ATOM 299 CD GLU A 20 3.212 5.654 0.315 1.00 1.00 C ATOM 300 OE1 GLU A 20 2.106 5.419 0.772 1.00 1.00 O ATOM 301 OE2 GLU A 20 3.871 4.851 -0.326 1.00 1.00 O ATOM 0 HA GLU A 20 4.114 6.839 -1.859 1.00 1.00 H new ATOM 0 HB2 GLU A 20 3.439 9.067 -0.096 1.00 1.00 H new ATOM 0 HB3 GLU A 20 2.058 8.002 -0.275 1.00 1.00 H new ATOM 0 HG2 GLU A 20 4.881 7.017 0.371 1.00 1.00 H new ATOM 0 HG3 GLU A 20 3.662 7.332 1.591 1.00 1.00 H new ATOM 308 N ALA A 21 1.734 8.772 -3.076 1.00 1.00 N ATOM 309 CA ALA A 21 0.539 8.775 -3.909 1.00 1.00 C ATOM 310 C ALA A 21 0.788 8.008 -5.206 1.00 1.00 C ATOM 311 O ALA A 21 0.069 7.062 -5.527 1.00 1.00 O ATOM 312 CB ALA A 21 0.132 10.211 -4.236 1.00 1.00 C ATOM 0 H ALA A 21 2.080 9.699 -2.828 1.00 1.00 H new ATOM 0 HA ALA A 21 -0.265 8.287 -3.358 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -0.762 10.203 -4.859 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -0.075 10.750 -3.311 1.00 1.00 H new ATOM 0 HB3 ALA A 21 0.942 10.706 -4.771 1.00 1.00 H new ATOM 318 N LYS A 22 1.806 8.430 -5.950 1.00 1.00 N ATOM 319 CA LYS A 22 2.138 7.785 -7.215 1.00 1.00 C ATOM 320 C LYS A 22 2.292 6.276 -7.045 1.00 1.00 C ATOM 321 O LYS A 22 1.765 5.501 -7.841 1.00 1.00 O ATOM 322 CB LYS A 22 3.434 8.370 -7.778 1.00 1.00 C ATOM 323 CG LYS A 22 3.472 8.166 -9.297 1.00 1.00 C ATOM 324 CD LYS A 22 2.652 9.253 -10.000 1.00 1.00 C ATOM 325 CE LYS A 22 1.819 8.620 -11.117 1.00 1.00 C ATOM 326 NZ LYS A 22 0.718 7.815 -10.519 1.00 1.00 N ATOM 0 H LYS A 22 2.412 9.211 -5.700 1.00 1.00 H new ATOM 0 HA LYS A 22 1.319 7.971 -7.909 1.00 1.00 H new ATOM 0 HB2 LYS A 22 3.498 9.432 -7.542 1.00 1.00 H new ATOM 0 HB3 LYS A 22 4.294 7.888 -7.314 1.00 1.00 H new ATOM 0 HG2 LYS A 22 4.503 8.194 -9.649 1.00 1.00 H new ATOM 0 HG3 LYS A 22 3.076 7.182 -9.549 1.00 1.00 H new ATOM 0 HD2 LYS A 22 2.000 9.752 -9.283 1.00 1.00 H new ATOM 0 HD3 LYS A 22 3.314 10.014 -10.412 1.00 1.00 H new ATOM 0 HE2 LYS A 22 1.408 9.396 -11.763 1.00 1.00 H new ATOM 0 HE3 LYS A 22 2.449 7.987 -11.741 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 0.003 7.611 -11.246 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 1.102 6.921 -10.151 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 0.279 8.350 -9.742 1.00 1.00 H new ATOM 340 N GLU A 23 3.010 5.863 -6.006 1.00 1.00 N ATOM 341 CA GLU A 23 3.208 4.445 -5.757 1.00 1.00 C ATOM 342 C GLU A 23 1.887 3.808 -5.368 1.00 1.00 C ATOM 343 O GLU A 23 1.467 2.810 -5.950 1.00 1.00 O ATOM 344 CB GLU A 23 4.227 4.247 -4.635 1.00 1.00 C ATOM 345 CG GLU A 23 5.581 3.872 -5.237 1.00 1.00 C ATOM 346 CD GLU A 23 5.558 2.417 -5.696 1.00 1.00 C ATOM 347 OE1 GLU A 23 4.537 1.776 -5.508 1.00 1.00 O ATOM 348 OE2 GLU A 23 6.558 1.969 -6.232 1.00 1.00 O ATOM 0 H GLU A 23 3.458 6.483 -5.332 1.00 1.00 H new ATOM 0 HA GLU A 23 3.585 3.973 -6.664 1.00 1.00 H new ATOM 0 HB2 GLU A 23 4.319 5.160 -4.047 1.00 1.00 H new ATOM 0 HB3 GLU A 23 3.889 3.464 -3.956 1.00 1.00 H new ATOM 0 HG2 GLU A 23 5.808 4.525 -6.080 1.00 1.00 H new ATOM 0 HG3 GLU A 23 6.370 4.018 -4.499 1.00 1.00 H new ATOM 355 N ALA A 24 1.237 4.404 -4.380 1.00 1.00 N ATOM 356 CA ALA A 24 -0.043 3.912 -3.904 1.00 1.00 C ATOM 357 C ALA A 24 -0.908 3.445 -5.067 1.00 1.00 C ATOM 358 O ALA A 24 -1.495 2.365 -5.021 1.00 1.00 O ATOM 359 CB ALA A 24 -0.761 5.025 -3.142 1.00 1.00 C ATOM 0 H ALA A 24 1.578 5.232 -3.892 1.00 1.00 H new ATOM 0 HA ALA A 24 0.131 3.063 -3.242 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -1.723 4.658 -2.783 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -0.152 5.336 -2.293 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -0.921 5.875 -3.805 1.00 1.00 H new ATOM 365 N CYS A 25 -0.981 4.264 -6.111 1.00 1.00 N ATOM 366 CA CYS A 25 -1.779 3.924 -7.283 1.00 1.00 C ATOM 367 C CYS A 25 -1.057 2.895 -8.146 1.00 1.00 C ATOM 368 O CYS A 25 -1.683 2.004 -8.720 1.00 1.00 O ATOM 369 CB CYS A 25 -2.053 5.181 -8.110 1.00 1.00 C ATOM 370 SG CYS A 25 -1.629 4.869 -9.841 1.00 1.00 S ATOM 0 H CYS A 25 -0.501 5.162 -6.170 1.00 1.00 H new ATOM 0 HA CYS A 25 -2.723 3.498 -6.943 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -3.103 5.462 -8.027 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -1.468 6.017 -7.726 1.00 1.00 H new ATOM 0 HG CYS A 25 -1.864 5.937 -10.545 1.00 1.00 H new ATOM 376 N ASP A 26 0.264 3.020 -8.236 1.00 1.00 N ATOM 377 CA ASP A 26 1.057 2.090 -9.035 1.00 1.00 C ATOM 378 C ASP A 26 1.221 0.763 -8.304 1.00 1.00 C ATOM 379 O ASP A 26 1.679 -0.223 -8.880 1.00 1.00 O ATOM 380 CB ASP A 26 2.434 2.691 -9.323 1.00 1.00 C ATOM 381 CG ASP A 26 2.925 2.236 -10.694 1.00 1.00 C ATOM 382 OD1 ASP A 26 2.292 2.590 -11.674 1.00 1.00 O ATOM 383 OD2 ASP A 26 3.928 1.543 -10.742 1.00 1.00 O ATOM 0 H ASP A 26 0.804 3.749 -7.770 1.00 1.00 H new ATOM 0 HA ASP A 26 0.536 1.912 -9.976 1.00 1.00 H new ATOM 0 HB2 ASP A 26 2.379 3.779 -9.290 1.00 1.00 H new ATOM 0 HB3 ASP A 26 3.142 2.384 -8.553 1.00 1.00 H new ATOM 388 N TRP A 27 0.842 0.747 -7.029 1.00 1.00 N ATOM 389 CA TRP A 27 0.951 -0.462 -6.225 1.00 1.00 C ATOM 390 C TRP A 27 -0.340 -1.269 -6.300 1.00 1.00 C ATOM 391 O TRP A 27 -0.316 -2.499 -6.319 1.00 1.00 O ATOM 392 CB TRP A 27 1.245 -0.097 -4.768 1.00 1.00 C ATOM 393 CG TRP A 27 1.339 -1.346 -3.951 1.00 1.00 C ATOM 394 CD1 TRP A 27 2.477 -2.041 -3.725 1.00 1.00 C ATOM 395 CD2 TRP A 27 0.279 -2.055 -3.248 1.00 1.00 C ATOM 396 NE1 TRP A 27 2.182 -3.134 -2.930 1.00 1.00 N ATOM 397 CE2 TRP A 27 0.840 -3.186 -2.609 1.00 1.00 C ATOM 398 CE3 TRP A 27 -1.103 -1.830 -3.107 1.00 1.00 C ATOM 399 CZ2 TRP A 27 0.059 -4.062 -1.855 1.00 1.00 C ATOM 400 CZ3 TRP A 27 -1.892 -2.711 -2.348 1.00 1.00 C ATOM 401 CH2 TRP A 27 -1.311 -3.824 -1.724 1.00 1.00 C ATOM 0 H TRP A 27 0.459 1.553 -6.535 1.00 1.00 H new ATOM 0 HA TRP A 27 1.769 -1.066 -6.618 1.00 1.00 H new ATOM 0 HB2 TRP A 27 2.177 0.464 -4.703 1.00 1.00 H new ATOM 0 HB3 TRP A 27 0.458 0.548 -4.377 1.00 1.00 H new ATOM 0 HD1 TRP A 27 3.456 -1.785 -4.103 1.00 1.00 H new ATOM 0 HE1 TRP A 27 2.872 -3.818 -2.619 1.00 1.00 H new ATOM 0 HE3 TRP A 27 -1.560 -0.976 -3.585 1.00 1.00 H new ATOM 0 HZ2 TRP A 27 0.510 -4.918 -1.376 1.00 1.00 H new ATOM 0 HZ3 TRP A 27 -2.952 -2.530 -2.245 1.00 1.00 H new ATOM 0 HH2 TRP A 27 -1.923 -4.497 -1.142 1.00 1.00 H new ATOM 412 N LEU A 28 -1.468 -0.566 -6.348 1.00 1.00 N ATOM 413 CA LEU A 28 -2.764 -1.230 -6.426 1.00 1.00 C ATOM 414 C LEU A 28 -2.822 -2.132 -7.655 1.00 1.00 C ATOM 415 O LEU A 28 -3.481 -3.172 -7.643 1.00 1.00 O ATOM 416 CB LEU A 28 -3.884 -0.189 -6.499 1.00 1.00 C ATOM 417 CG LEU A 28 -4.177 0.347 -5.097 1.00 1.00 C ATOM 418 CD1 LEU A 28 -4.679 1.788 -5.195 1.00 1.00 C ATOM 419 CD2 LEU A 28 -5.249 -0.515 -4.429 1.00 1.00 C ATOM 0 H LEU A 28 -1.511 0.453 -6.334 1.00 1.00 H new ATOM 0 HA LEU A 28 -2.897 -1.839 -5.532 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -3.592 0.628 -7.158 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -4.783 -0.636 -6.924 1.00 1.00 H new ATOM 0 HG LEU A 28 -3.263 0.316 -4.504 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -4.888 2.169 -4.195 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -3.917 2.407 -5.668 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -5.591 1.816 -5.792 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -5.455 -0.130 -3.430 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -6.162 -0.487 -5.024 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -4.895 -1.543 -4.356 1.00 1.00 H new ATOM 431 N ARG A 29 -2.121 -1.728 -8.709 1.00 1.00 N ATOM 432 CA ARG A 29 -2.094 -2.512 -9.940 1.00 1.00 C ATOM 433 C ARG A 29 -1.222 -3.748 -9.756 1.00 1.00 C ATOM 434 O ARG A 29 -1.518 -4.815 -10.294 1.00 1.00 O ATOM 435 CB ARG A 29 -1.546 -1.666 -11.093 1.00 1.00 C ATOM 436 CG ARG A 29 -1.796 -0.183 -10.808 1.00 1.00 C ATOM 437 CD ARG A 29 -1.598 0.627 -12.091 1.00 1.00 C ATOM 438 NE ARG A 29 -2.483 0.138 -13.142 1.00 1.00 N ATOM 439 CZ ARG A 29 -3.743 0.552 -13.228 1.00 1.00 C ATOM 440 NH1 ARG A 29 -4.206 1.418 -12.369 1.00 1.00 N ATOM 441 NH2 ARG A 29 -4.518 0.091 -14.172 1.00 1.00 N ATOM 0 H ARG A 29 -1.569 -0.871 -8.737 1.00 1.00 H new ATOM 0 HA ARG A 29 -3.112 -2.823 -10.176 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -0.478 -1.848 -11.215 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -2.027 -1.953 -12.028 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -2.808 -0.041 -10.429 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -1.113 0.169 -10.035 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -1.799 1.681 -11.898 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -0.561 0.555 -12.418 1.00 1.00 H new ATOM 0 HE ARG A 29 -2.129 -0.534 -13.823 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -3.601 1.778 -11.631 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -5.173 1.735 -12.436 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -4.156 -0.587 -14.843 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -5.485 0.408 -14.238 1.00 1.00 H new ATOM 455 N ALA A 30 -0.146 -3.596 -8.991 1.00 1.00 N ATOM 456 CA ALA A 30 0.763 -4.706 -8.739 1.00 1.00 C ATOM 457 C ALA A 30 0.116 -5.720 -7.800 1.00 1.00 C ATOM 458 O ALA A 30 0.424 -6.910 -7.846 1.00 1.00 O ATOM 459 CB ALA A 30 2.060 -4.187 -8.117 1.00 1.00 C ATOM 0 H ALA A 30 0.116 -2.721 -8.538 1.00 1.00 H new ATOM 0 HA ALA A 30 0.986 -5.194 -9.688 1.00 1.00 H new ATOM 0 HB1 ALA A 30 2.735 -5.023 -7.932 1.00 1.00 H new ATOM 0 HB2 ALA A 30 2.535 -3.482 -8.800 1.00 1.00 H new ATOM 0 HB3 ALA A 30 1.837 -3.685 -7.175 1.00 1.00 H new ATOM 465 N ALA A 31 -0.782 -5.237 -6.947 1.00 1.00 N ATOM 466 CA ALA A 31 -1.469 -6.107 -6.000 1.00 1.00 C ATOM 467 C ALA A 31 -2.493 -6.976 -6.723 1.00 1.00 C ATOM 468 O ALA A 31 -2.933 -8.000 -6.199 1.00 1.00 O ATOM 469 CB ALA A 31 -2.172 -5.268 -4.934 1.00 1.00 C ATOM 0 H ALA A 31 -1.049 -4.254 -6.892 1.00 1.00 H new ATOM 0 HA ALA A 31 -0.730 -6.752 -5.524 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -2.682 -5.926 -4.231 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -1.436 -4.667 -4.400 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -2.900 -4.611 -5.410 1.00 1.00 H new ATOM 475 N GLY A 32 -2.865 -6.560 -7.930 1.00 1.00 N ATOM 476 CA GLY A 32 -3.838 -7.304 -8.723 1.00 1.00 C ATOM 477 C GLY A 32 -5.161 -6.552 -8.808 1.00 1.00 C ATOM 478 O GLY A 32 -6.139 -7.063 -9.355 1.00 1.00 O ATOM 0 H GLY A 32 -2.509 -5.716 -8.379 1.00 1.00 H new ATOM 0 HA2 GLY A 32 -3.445 -7.470 -9.726 1.00 1.00 H new ATOM 0 HA3 GLY A 32 -4.001 -8.286 -8.278 1.00 1.00 H new ATOM 482 N PHE A 33 -5.181 -5.336 -8.264 1.00 1.00 N ATOM 483 CA PHE A 33 -6.387 -4.512 -8.281 1.00 1.00 C ATOM 484 C PHE A 33 -6.116 -3.173 -8.973 1.00 1.00 C ATOM 485 O PHE A 33 -5.903 -2.154 -8.317 1.00 1.00 O ATOM 486 CB PHE A 33 -6.865 -4.269 -6.843 1.00 1.00 C ATOM 487 CG PHE A 33 -6.562 -5.486 -5.999 1.00 1.00 C ATOM 488 CD1 PHE A 33 -6.924 -6.760 -6.451 1.00 1.00 C ATOM 489 CD2 PHE A 33 -5.916 -5.337 -4.765 1.00 1.00 C ATOM 490 CE1 PHE A 33 -6.641 -7.887 -5.669 1.00 1.00 C ATOM 491 CE2 PHE A 33 -5.633 -6.464 -3.984 1.00 1.00 C ATOM 492 CZ PHE A 33 -5.996 -7.739 -4.436 1.00 1.00 C ATOM 0 H PHE A 33 -4.379 -4.902 -7.808 1.00 1.00 H new ATOM 0 HA PHE A 33 -7.162 -5.038 -8.838 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -6.369 -3.392 -6.427 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -7.936 -4.064 -6.834 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -7.422 -6.874 -7.403 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -5.637 -4.354 -4.416 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -6.921 -8.870 -6.018 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -5.135 -6.350 -3.033 1.00 1.00 H new ATOM 0 HZ PHE A 33 -5.778 -8.608 -3.833 1.00 1.00 H new ATOM 502 N PRO A 34 -6.112 -3.157 -10.283 1.00 1.00 N ATOM 503 CA PRO A 34 -5.854 -1.920 -11.067 1.00 1.00 C ATOM 504 C PRO A 34 -7.104 -1.060 -11.239 1.00 1.00 C ATOM 505 O PRO A 34 -7.023 0.077 -11.704 1.00 1.00 O ATOM 506 CB PRO A 34 -5.375 -2.457 -12.413 1.00 1.00 C ATOM 507 CG PRO A 34 -6.043 -3.786 -12.572 1.00 1.00 C ATOM 508 CD PRO A 34 -6.349 -4.312 -11.165 1.00 1.00 C ATOM 0 HA PRO A 34 -5.137 -1.264 -10.573 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -5.646 -1.782 -13.224 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -4.290 -2.558 -12.432 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -6.960 -3.689 -13.154 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -5.396 -4.480 -13.110 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -7.377 -4.666 -11.088 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -5.703 -5.150 -10.905 1.00 1.00 H new ATOM 516 N GLN A 35 -8.261 -1.607 -10.873 1.00 1.00 N ATOM 517 CA GLN A 35 -9.511 -0.868 -11.007 1.00 1.00 C ATOM 518 C GLN A 35 -9.587 0.270 -9.992 1.00 1.00 C ATOM 519 O GLN A 35 -10.427 1.162 -10.114 1.00 1.00 O ATOM 520 CB GLN A 35 -10.714 -1.810 -10.838 1.00 1.00 C ATOM 521 CG GLN A 35 -10.832 -2.283 -9.384 1.00 1.00 C ATOM 522 CD GLN A 35 -9.531 -2.934 -8.936 1.00 1.00 C ATOM 523 OE1 GLN A 35 -9.287 -4.105 -9.228 1.00 1.00 O ATOM 524 NE2 GLN A 35 -8.674 -2.243 -8.234 1.00 1.00 N ATOM 0 H GLN A 35 -8.358 -2.546 -10.487 1.00 1.00 H new ATOM 0 HA GLN A 35 -9.540 -0.436 -12.007 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -11.629 -1.296 -11.134 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -10.604 -2.671 -11.498 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -11.066 -1.438 -8.737 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -11.654 -2.993 -9.290 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -8.877 -1.273 -7.993 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -7.802 -2.673 -7.927 1.00 1.00 H new ATOM 533 N TYR A 36 -8.705 0.244 -8.996 1.00 1.00 N ATOM 534 CA TYR A 36 -8.695 1.292 -7.982 1.00 1.00 C ATOM 535 C TYR A 36 -7.934 2.506 -8.492 1.00 1.00 C ATOM 536 O TYR A 36 -8.523 3.555 -8.739 1.00 1.00 O ATOM 537 CB TYR A 36 -8.043 0.783 -6.693 1.00 1.00 C ATOM 538 CG TYR A 36 -9.086 0.118 -5.823 1.00 1.00 C ATOM 539 CD1 TYR A 36 -10.148 0.868 -5.302 1.00 1.00 C ATOM 540 CD2 TYR A 36 -8.992 -1.251 -5.540 1.00 1.00 C ATOM 541 CE1 TYR A 36 -11.115 0.250 -4.500 1.00 1.00 C ATOM 542 CE2 TYR A 36 -9.958 -1.868 -4.737 1.00 1.00 C ATOM 543 CZ TYR A 36 -11.020 -1.117 -4.217 1.00 1.00 C ATOM 544 OH TYR A 36 -11.974 -1.728 -3.430 1.00 1.00 O ATOM 0 H TYR A 36 -7.998 -0.480 -8.871 1.00 1.00 H new ATOM 0 HA TYR A 36 -9.726 1.575 -7.770 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -7.249 0.075 -6.931 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -7.582 1.611 -6.156 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -10.221 1.923 -5.519 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -8.174 -1.830 -5.942 1.00 1.00 H new ATOM 0 HE1 TYR A 36 -11.934 0.829 -4.100 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -9.885 -2.923 -4.518 1.00 1.00 H new ATOM 0 HH TYR A 36 -11.758 -2.679 -3.334 1.00 1.00 H new ATOM 554 N ALA A 37 -6.624 2.348 -8.656 1.00 1.00 N ATOM 555 CA ALA A 37 -5.783 3.435 -9.152 1.00 1.00 C ATOM 556 C ALA A 37 -6.510 4.204 -10.246 1.00 1.00 C ATOM 557 O ALA A 37 -6.349 5.418 -10.380 1.00 1.00 O ATOM 558 CB ALA A 37 -4.473 2.872 -9.704 1.00 1.00 C ATOM 0 H ALA A 37 -6.123 1.483 -8.454 1.00 1.00 H new ATOM 0 HA ALA A 37 -5.564 4.112 -8.326 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -3.852 3.689 -10.072 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -3.943 2.341 -8.913 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -4.689 2.184 -10.521 1.00 1.00 H new ATOM 564 N GLN A 38 -7.314 3.488 -11.020 1.00 1.00 N ATOM 565 CA GLN A 38 -8.073 4.104 -12.098 1.00 1.00 C ATOM 566 C GLN A 38 -8.882 5.286 -11.574 1.00 1.00 C ATOM 567 O GLN A 38 -8.933 6.344 -12.202 1.00 1.00 O ATOM 568 CB GLN A 38 -9.015 3.071 -12.716 1.00 1.00 C ATOM 569 CG GLN A 38 -8.344 2.428 -13.930 1.00 1.00 C ATOM 570 CD GLN A 38 -8.338 3.404 -15.101 1.00 1.00 C ATOM 571 OE1 GLN A 38 -9.392 3.883 -15.518 1.00 1.00 O ATOM 572 NE2 GLN A 38 -7.205 3.726 -15.664 1.00 1.00 N ATOM 0 H GLN A 38 -7.457 2.483 -10.922 1.00 1.00 H new ATOM 0 HA GLN A 38 -7.377 4.465 -12.855 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -9.267 2.307 -11.980 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -9.949 3.548 -13.014 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -7.323 2.140 -13.681 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -8.873 1.517 -14.208 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -6.332 3.328 -15.317 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -7.193 4.375 -16.450 1.00 1.00 H new ATOM 581 N LEU A 39 -9.512 5.099 -10.418 1.00 1.00 N ATOM 582 CA LEU A 39 -10.317 6.156 -9.817 1.00 1.00 C ATOM 583 C LEU A 39 -9.504 7.441 -9.682 1.00 1.00 C ATOM 584 O LEU A 39 -10.045 8.540 -9.794 1.00 1.00 O ATOM 585 CB LEU A 39 -10.818 5.716 -8.436 1.00 1.00 C ATOM 586 CG LEU A 39 -12.064 4.839 -8.591 1.00 1.00 C ATOM 587 CD1 LEU A 39 -12.158 3.870 -7.411 1.00 1.00 C ATOM 588 CD2 LEU A 39 -13.317 5.719 -8.613 1.00 1.00 C ATOM 0 H LEU A 39 -9.481 4.232 -9.882 1.00 1.00 H new ATOM 0 HA LEU A 39 -11.171 6.348 -10.467 1.00 1.00 H new ATOM 0 HB2 LEU A 39 -10.036 5.164 -7.914 1.00 1.00 H new ATOM 0 HB3 LEU A 39 -11.051 6.590 -7.828 1.00 1.00 H new ATOM 0 HG LEU A 39 -11.992 4.280 -9.524 1.00 1.00 H new ATOM 0 HD11 LEU A 39 -13.045 3.246 -7.522 1.00 1.00 H new ATOM 0 HD12 LEU A 39 -11.270 3.238 -7.388 1.00 1.00 H new ATOM 0 HD13 LEU A 39 -12.226 4.435 -6.481 1.00 1.00 H new ATOM 0 HD21 LEU A 39 -14.201 5.091 -8.723 1.00 1.00 H new ATOM 0 HD22 LEU A 39 -13.384 6.280 -7.681 1.00 1.00 H new ATOM 0 HD23 LEU A 39 -13.259 6.414 -9.451 1.00 1.00 H new ATOM 600 N TYR A 40 -8.203 7.298 -9.439 1.00 1.00 N ATOM 601 CA TYR A 40 -7.335 8.462 -9.293 1.00 1.00 C ATOM 602 C TYR A 40 -7.526 9.413 -10.467 1.00 1.00 C ATOM 603 O TYR A 40 -7.809 10.596 -10.281 1.00 1.00 O ATOM 604 CB TYR A 40 -5.871 8.022 -9.220 1.00 1.00 C ATOM 605 CG TYR A 40 -5.007 9.211 -8.867 1.00 1.00 C ATOM 606 CD1 TYR A 40 -5.130 9.816 -7.611 1.00 1.00 C ATOM 607 CD2 TYR A 40 -4.085 9.709 -9.795 1.00 1.00 C ATOM 608 CE1 TYR A 40 -4.332 10.917 -7.282 1.00 1.00 C ATOM 609 CE2 TYR A 40 -3.287 10.812 -9.468 1.00 1.00 C ATOM 610 CZ TYR A 40 -3.410 11.416 -8.210 1.00 1.00 C ATOM 611 OH TYR A 40 -2.624 12.503 -7.888 1.00 1.00 O ATOM 0 H TYR A 40 -7.732 6.399 -9.340 1.00 1.00 H new ATOM 0 HA TYR A 40 -7.600 8.978 -8.370 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -5.752 7.237 -8.473 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -5.558 7.602 -10.176 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -5.842 9.433 -6.895 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -3.989 9.242 -10.764 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -4.427 11.382 -6.312 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -2.577 11.197 -10.185 1.00 1.00 H new ATOM 0 HH TYR A 40 -2.039 12.719 -8.644 1.00 1.00 H new ATOM 621 N GLU A 41 -7.372 8.888 -11.677 1.00 1.00 N ATOM 622 CA GLU A 41 -7.534 9.701 -12.874 1.00 1.00 C ATOM 623 C GLU A 41 -8.744 10.618 -12.737 1.00 1.00 C ATOM 624 O GLU A 41 -8.722 11.764 -13.185 1.00 1.00 O ATOM 625 CB GLU A 41 -7.708 8.799 -14.097 1.00 1.00 C ATOM 626 CG GLU A 41 -6.397 8.065 -14.381 1.00 1.00 C ATOM 627 CD GLU A 41 -6.676 6.595 -14.674 1.00 1.00 C ATOM 628 OE1 GLU A 41 -7.627 6.324 -15.387 1.00 1.00 O ATOM 629 OE2 GLU A 41 -5.933 5.761 -14.183 1.00 1.00 O ATOM 0 H GLU A 41 -7.137 7.911 -11.854 1.00 1.00 H new ATOM 0 HA GLU A 41 -6.641 10.314 -13.000 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -8.509 8.080 -13.921 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -7.999 9.394 -14.963 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -5.890 8.524 -15.230 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -5.728 8.153 -13.525 1.00 1.00 H new ATOM 636 N ASP A 42 -9.803 10.106 -12.114 1.00 1.00 N ATOM 637 CA ASP A 42 -11.020 10.888 -11.923 1.00 1.00 C ATOM 638 C ASP A 42 -10.944 11.690 -10.627 1.00 1.00 C ATOM 639 O ASP A 42 -11.667 12.670 -10.452 1.00 1.00 O ATOM 640 CB ASP A 42 -12.234 9.957 -11.873 1.00 1.00 C ATOM 641 CG ASP A 42 -13.370 10.535 -12.711 1.00 1.00 C ATOM 642 OD1 ASP A 42 -13.240 10.551 -13.924 1.00 1.00 O ATOM 643 OD2 ASP A 42 -14.360 10.944 -12.125 1.00 1.00 O ATOM 0 H ASP A 42 -9.843 9.160 -11.736 1.00 1.00 H new ATOM 0 HA ASP A 42 -11.121 11.578 -12.761 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -11.961 8.970 -12.247 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -12.561 9.828 -10.841 1.00 1.00 H new ATOM 648 N SER A 43 -10.066 11.262 -9.724 1.00 1.00 N ATOM 649 CA SER A 43 -9.902 11.943 -8.445 1.00 1.00 C ATOM 650 C SER A 43 -10.998 11.523 -7.471 1.00 1.00 C ATOM 651 O SER A 43 -11.153 12.117 -6.404 1.00 1.00 O ATOM 652 CB SER A 43 -9.945 13.458 -8.644 1.00 1.00 C ATOM 653 OG SER A 43 -11.279 13.917 -8.471 1.00 1.00 O ATOM 0 H SER A 43 -9.461 10.451 -9.854 1.00 1.00 H new ATOM 0 HA SER A 43 -8.934 11.663 -8.030 1.00 1.00 H new ATOM 0 HB2 SER A 43 -9.284 13.949 -7.930 1.00 1.00 H new ATOM 0 HB3 SER A 43 -9.586 13.716 -9.640 1.00 1.00 H new ATOM 0 HG SER A 43 -11.800 13.721 -9.278 1.00 1.00 H new ATOM 659 N GLN A 44 -11.755 10.495 -7.844 1.00 1.00 N ATOM 660 CA GLN A 44 -12.831 10.002 -6.993 1.00 1.00 C ATOM 661 C GLN A 44 -12.278 9.018 -5.968 1.00 1.00 C ATOM 662 O GLN A 44 -13.001 8.164 -5.455 1.00 1.00 O ATOM 663 CB GLN A 44 -13.898 9.312 -7.845 1.00 1.00 C ATOM 664 CG GLN A 44 -14.507 10.320 -8.822 1.00 1.00 C ATOM 665 CD GLN A 44 -15.628 11.098 -8.138 1.00 1.00 C ATOM 666 OE1 GLN A 44 -16.450 11.720 -8.810 1.00 1.00 O ATOM 667 NE2 GLN A 44 -15.707 11.101 -6.837 1.00 1.00 N ATOM 0 H GLN A 44 -11.644 9.991 -8.724 1.00 1.00 H new ATOM 0 HA GLN A 44 -13.280 10.847 -6.471 1.00 1.00 H new ATOM 0 HB2 GLN A 44 -13.457 8.480 -8.394 1.00 1.00 H new ATOM 0 HB3 GLN A 44 -14.676 8.896 -7.205 1.00 1.00 H new ATOM 0 HG2 GLN A 44 -13.738 11.008 -9.174 1.00 1.00 H new ATOM 0 HG3 GLN A 44 -14.896 9.801 -9.698 1.00 1.00 H new ATOM 0 HE21 GLN A 44 -15.024 10.584 -6.283 1.00 1.00 H new ATOM 0 HE22 GLN A 44 -16.452 11.620 -6.373 1.00 1.00 H new ATOM 676 N PHE A 45 -10.988 9.145 -5.684 1.00 1.00 N ATOM 677 CA PHE A 45 -10.330 8.268 -4.725 1.00 1.00 C ATOM 678 C PHE A 45 -10.936 8.380 -3.333 1.00 1.00 C ATOM 679 O PHE A 45 -11.270 7.363 -2.729 1.00 1.00 O ATOM 680 CB PHE A 45 -8.836 8.582 -4.663 1.00 1.00 C ATOM 681 CG PHE A 45 -8.055 7.351 -5.055 1.00 1.00 C ATOM 682 CD1 PHE A 45 -8.115 6.883 -6.373 1.00 1.00 C ATOM 683 CD2 PHE A 45 -7.271 6.681 -4.109 1.00 1.00 C ATOM 684 CE1 PHE A 45 -7.393 5.742 -6.743 1.00 1.00 C ATOM 685 CE2 PHE A 45 -6.549 5.542 -4.480 1.00 1.00 C ATOM 686 CZ PHE A 45 -6.609 5.073 -5.798 1.00 1.00 C ATOM 0 H PHE A 45 -10.378 9.846 -6.104 1.00 1.00 H new ATOM 0 HA PHE A 45 -10.479 7.245 -5.069 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -8.597 9.408 -5.333 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -8.560 8.898 -3.657 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -8.718 7.402 -7.104 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -7.223 7.043 -3.093 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -7.442 5.378 -7.759 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -5.945 5.024 -3.750 1.00 1.00 H new ATOM 0 HZ PHE A 45 -6.050 4.195 -6.085 1.00 1.00 H new ATOM 696 N PRO A 46 -11.079 9.563 -2.788 1.00 1.00 N ATOM 697 CA PRO A 46 -11.649 9.693 -1.428 1.00 1.00 C ATOM 698 C PRO A 46 -13.110 9.269 -1.392 1.00 1.00 C ATOM 699 O PRO A 46 -13.974 9.900 -1.999 1.00 1.00 O ATOM 700 CB PRO A 46 -11.488 11.177 -1.081 1.00 1.00 C ATOM 701 CG PRO A 46 -11.238 11.892 -2.370 1.00 1.00 C ATOM 702 CD PRO A 46 -10.725 10.864 -3.381 1.00 1.00 C ATOM 0 HA PRO A 46 -11.144 9.047 -0.710 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -12.384 11.560 -0.593 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -10.659 11.325 -0.389 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -12.154 12.360 -2.732 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -10.507 12.688 -2.230 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -11.193 10.997 -4.356 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -9.649 10.954 -3.529 1.00 1.00 H new ATOM 710 N ILE A 47 -13.361 8.194 -0.658 1.00 1.00 N ATOM 711 CA ILE A 47 -14.705 7.647 -0.505 1.00 1.00 C ATOM 712 C ILE A 47 -14.716 6.652 0.651 1.00 1.00 C ATOM 713 O ILE A 47 -13.683 6.403 1.272 1.00 1.00 O ATOM 714 CB ILE A 47 -15.143 6.920 -1.788 1.00 1.00 C ATOM 715 CG1 ILE A 47 -13.985 6.061 -2.298 1.00 1.00 C ATOM 716 CG2 ILE A 47 -15.541 7.920 -2.884 1.00 1.00 C ATOM 717 CD1 ILE A 47 -14.528 4.740 -2.846 1.00 1.00 C ATOM 0 H ILE A 47 -12.642 7.677 -0.152 1.00 1.00 H new ATOM 0 HA ILE A 47 -15.394 8.468 -0.307 1.00 1.00 H new ATOM 0 HB ILE A 47 -16.008 6.299 -1.553 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -13.440 6.593 -3.078 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -13.279 5.868 -1.490 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -15.846 7.377 -3.779 1.00 1.00 H new ATOM 0 HG22 ILE A 47 -16.370 8.534 -2.532 1.00 1.00 H new ATOM 0 HG23 ILE A 47 -14.690 8.559 -3.120 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -13.701 4.129 -3.209 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -15.053 4.206 -2.054 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -15.217 4.942 -3.666 1.00 1.00 H new ATOM 729 N ASN A 48 -15.880 6.079 0.932 1.00 1.00 N ATOM 730 CA ASN A 48 -15.989 5.106 2.011 1.00 1.00 C ATOM 731 C ASN A 48 -15.014 3.957 1.776 1.00 1.00 C ATOM 732 O ASN A 48 -15.381 2.919 1.227 1.00 1.00 O ATOM 733 CB ASN A 48 -17.416 4.562 2.084 1.00 1.00 C ATOM 734 CG ASN A 48 -17.804 3.939 0.748 1.00 1.00 C ATOM 735 OD1 ASN A 48 -17.101 4.115 -0.247 1.00 1.00 O ATOM 736 ND2 ASN A 48 -18.888 3.217 0.665 1.00 1.00 N ATOM 0 H ASN A 48 -16.751 6.268 0.435 1.00 1.00 H new ATOM 0 HA ASN A 48 -15.745 5.597 2.953 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -17.490 3.818 2.877 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -18.108 5.366 2.335 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -19.154 2.797 -0.226 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -19.469 3.072 1.491 1.00 1.00 H new ATOM 743 N ILE A 49 -13.764 4.158 2.185 1.00 1.00 N ATOM 744 CA ILE A 49 -12.735 3.141 2.006 1.00 1.00 C ATOM 745 C ILE A 49 -13.200 1.797 2.552 1.00 1.00 C ATOM 746 O ILE A 49 -13.333 0.830 1.807 1.00 1.00 O ATOM 747 CB ILE A 49 -11.451 3.563 2.721 1.00 1.00 C ATOM 748 CG1 ILE A 49 -10.750 4.648 1.900 1.00 1.00 C ATOM 749 CG2 ILE A 49 -10.528 2.350 2.861 1.00 1.00 C ATOM 750 CD1 ILE A 49 -9.616 5.265 2.723 1.00 1.00 C ATOM 0 H ILE A 49 -13.441 5.012 2.640 1.00 1.00 H new ATOM 0 HA ILE A 49 -12.542 3.038 0.938 1.00 1.00 H new ATOM 0 HB ILE A 49 -11.691 3.953 3.710 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -10.353 4.221 0.979 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -11.465 5.419 1.612 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -9.611 2.647 3.370 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -11.030 1.575 3.440 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -10.284 1.962 1.872 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -9.119 6.037 2.136 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -10.025 5.707 3.632 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -8.896 4.491 2.988 1.00 1.00 H new ATOM 762 N VAL A 50 -13.431 1.745 3.857 1.00 1.00 N ATOM 763 CA VAL A 50 -13.871 0.512 4.503 1.00 1.00 C ATOM 764 C VAL A 50 -14.819 -0.275 3.596 1.00 1.00 C ATOM 765 O VAL A 50 -14.732 -1.500 3.503 1.00 1.00 O ATOM 766 CB VAL A 50 -14.575 0.833 5.823 1.00 1.00 C ATOM 767 CG1 VAL A 50 -15.513 2.028 5.631 1.00 1.00 C ATOM 768 CG2 VAL A 50 -15.385 -0.383 6.275 1.00 1.00 C ATOM 0 H VAL A 50 -13.322 2.538 4.489 1.00 1.00 H new ATOM 0 HA VAL A 50 -12.990 -0.099 4.698 1.00 1.00 H new ATOM 0 HB VAL A 50 -13.830 1.078 6.580 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -16.013 2.254 6.573 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -14.936 2.895 5.309 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -16.259 1.787 4.874 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -15.887 -0.156 7.215 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -16.128 -0.628 5.516 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -14.717 -1.233 6.416 1.00 1.00 H new ATOM 778 N ALA A 51 -15.734 0.438 2.950 1.00 1.00 N ATOM 779 CA ALA A 51 -16.715 -0.193 2.071 1.00 1.00 C ATOM 780 C ALA A 51 -16.067 -0.872 0.860 1.00 1.00 C ATOM 781 O ALA A 51 -16.582 -1.875 0.368 1.00 1.00 O ATOM 782 CB ALA A 51 -17.714 0.857 1.585 1.00 1.00 C ATOM 0 H ALA A 51 -15.818 1.452 3.017 1.00 1.00 H new ATOM 0 HA ALA A 51 -17.220 -0.966 2.650 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -18.446 0.386 0.929 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -18.224 1.298 2.441 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -17.185 1.637 1.038 1.00 1.00 H new ATOM 788 N VAL A 52 -14.953 -0.329 0.372 1.00 1.00 N ATOM 789 CA VAL A 52 -14.293 -0.926 -0.791 1.00 1.00 C ATOM 790 C VAL A 52 -13.406 -2.097 -0.374 1.00 1.00 C ATOM 791 O VAL A 52 -13.421 -3.150 -1.014 1.00 1.00 O ATOM 792 CB VAL A 52 -13.485 0.131 -1.565 1.00 1.00 C ATOM 793 CG1 VAL A 52 -14.132 1.502 -1.378 1.00 1.00 C ATOM 794 CG2 VAL A 52 -12.033 0.192 -1.071 1.00 1.00 C ATOM 0 H VAL A 52 -14.497 0.501 0.750 1.00 1.00 H new ATOM 0 HA VAL A 52 -15.065 -1.312 -1.456 1.00 1.00 H new ATOM 0 HB VAL A 52 -13.482 -0.148 -2.619 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -13.561 2.252 -1.926 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -15.154 1.477 -1.756 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -14.144 1.757 -0.318 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -11.488 0.948 -1.637 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -12.019 0.451 -0.012 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -11.559 -0.779 -1.213 1.00 1.00 H new ATOM 804 N LYS A 53 -12.643 -1.919 0.696 1.00 1.00 N ATOM 805 CA LYS A 53 -11.768 -2.983 1.177 1.00 1.00 C ATOM 806 C LYS A 53 -12.565 -4.267 1.361 1.00 1.00 C ATOM 807 O LYS A 53 -12.022 -5.369 1.294 1.00 1.00 O ATOM 808 CB LYS A 53 -11.139 -2.580 2.509 1.00 1.00 C ATOM 809 CG LYS A 53 -10.724 -1.111 2.455 1.00 1.00 C ATOM 810 CD LYS A 53 -9.466 -0.904 3.299 1.00 1.00 C ATOM 811 CE LYS A 53 -9.733 -1.357 4.736 1.00 1.00 C ATOM 812 NZ LYS A 53 -9.142 -2.710 4.949 1.00 1.00 N ATOM 0 H LYS A 53 -12.611 -1.059 1.243 1.00 1.00 H new ATOM 0 HA LYS A 53 -10.980 -3.149 0.442 1.00 1.00 H new ATOM 0 HB2 LYS A 53 -11.849 -2.738 3.321 1.00 1.00 H new ATOM 0 HB3 LYS A 53 -10.272 -3.206 2.717 1.00 1.00 H new ATOM 0 HG2 LYS A 53 -10.536 -0.813 1.424 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -11.532 -0.480 2.826 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -8.635 -1.470 2.877 1.00 1.00 H new ATOM 0 HD3 LYS A 53 -9.176 0.147 3.286 1.00 1.00 H new ATOM 0 HE2 LYS A 53 -9.301 -0.645 5.439 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -10.806 -1.383 4.927 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -9.886 -3.432 4.861 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 -8.405 -2.883 4.236 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 -8.723 -2.760 5.899 1.00 1.00 H new ATOM 969 N LEU A 63 -3.028 -8.200 1.538 1.00 1.00 N ATOM 970 CA LEU A 63 -3.318 -7.244 0.471 1.00 1.00 C ATOM 971 C LEU A 63 -4.513 -6.372 0.841 1.00 1.00 C ATOM 972 O LEU A 63 -4.895 -5.476 0.088 1.00 1.00 O ATOM 973 CB LEU A 63 -3.611 -7.990 -0.831 1.00 1.00 C ATOM 974 CG LEU A 63 -2.559 -7.630 -1.881 1.00 1.00 C ATOM 975 CD1 LEU A 63 -1.178 -8.086 -1.405 1.00 1.00 C ATOM 976 CD2 LEU A 63 -2.895 -8.327 -3.201 1.00 1.00 C ATOM 0 HA LEU A 63 -2.446 -6.604 0.335 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -3.608 -9.065 -0.653 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -4.605 -7.730 -1.194 1.00 1.00 H new ATOM 0 HG LEU A 63 -2.554 -6.550 -2.028 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -0.431 -7.828 -2.156 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -0.935 -7.590 -0.465 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -1.183 -9.166 -1.254 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.145 -8.070 -3.949 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -2.903 -9.407 -3.051 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -3.877 -8.001 -3.545 1.00 1.00 H new ATOM 988 N VAL A 64 -5.101 -6.640 2.003 1.00 1.00 N ATOM 989 CA VAL A 64 -6.254 -5.870 2.457 1.00 1.00 C ATOM 990 C VAL A 64 -5.813 -4.656 3.271 1.00 1.00 C ATOM 991 O VAL A 64 -6.164 -3.521 2.947 1.00 1.00 O ATOM 992 CB VAL A 64 -7.171 -6.748 3.309 1.00 1.00 C ATOM 993 CG1 VAL A 64 -8.367 -5.924 3.789 1.00 1.00 C ATOM 994 CG2 VAL A 64 -7.672 -7.926 2.471 1.00 1.00 C ATOM 0 H VAL A 64 -4.802 -7.377 2.642 1.00 1.00 H new ATOM 0 HA VAL A 64 -6.796 -5.523 1.577 1.00 1.00 H new ATOM 0 HB VAL A 64 -6.616 -7.121 4.170 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -9.020 -6.551 4.396 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -8.014 -5.083 4.386 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -8.921 -5.550 2.928 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -8.326 -8.552 3.078 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -8.226 -7.551 1.610 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -6.822 -8.515 2.127 1.00 1.00 H new ATOM 1004 N GLU A 65 -5.046 -4.899 4.332 1.00 1.00 N ATOM 1005 CA GLU A 65 -4.574 -3.813 5.179 1.00 1.00 C ATOM 1006 C GLU A 65 -3.805 -2.780 4.358 1.00 1.00 C ATOM 1007 O GLU A 65 -4.060 -1.581 4.472 1.00 1.00 O ATOM 1008 CB GLU A 65 -3.686 -4.364 6.295 1.00 1.00 C ATOM 1009 CG GLU A 65 -4.308 -4.040 7.652 1.00 1.00 C ATOM 1010 CD GLU A 65 -5.646 -4.753 7.805 1.00 1.00 C ATOM 1011 OE1 GLU A 65 -5.672 -5.964 7.662 1.00 1.00 O ATOM 1012 OE2 GLU A 65 -6.626 -4.078 8.079 1.00 1.00 O ATOM 0 H GLU A 65 -4.742 -5.829 4.621 1.00 1.00 H new ATOM 0 HA GLU A 65 -5.440 -3.323 5.623 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -3.572 -5.442 6.184 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -2.689 -3.930 6.228 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -3.632 -4.345 8.451 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -4.449 -2.963 7.747 1.00 1.00 H new ATOM 1019 N PRO A 66 -2.884 -3.210 3.531 1.00 1.00 N ATOM 1020 CA PRO A 66 -2.091 -2.278 2.680 1.00 1.00 C ATOM 1021 C PRO A 66 -3.002 -1.431 1.795 1.00 1.00 C ATOM 1022 O PRO A 66 -2.712 -0.269 1.513 1.00 1.00 O ATOM 1023 CB PRO A 66 -1.210 -3.195 1.826 1.00 1.00 C ATOM 1024 CG PRO A 66 -1.202 -4.519 2.514 1.00 1.00 C ATOM 1025 CD PRO A 66 -2.499 -4.612 3.315 1.00 1.00 C ATOM 0 HA PRO A 66 -1.509 -1.575 3.275 1.00 1.00 H new ATOM 0 HB2 PRO A 66 -1.606 -3.284 0.814 1.00 1.00 H new ATOM 0 HB3 PRO A 66 -0.200 -2.795 1.739 1.00 1.00 H new ATOM 0 HG2 PRO A 66 -1.137 -5.330 1.789 1.00 1.00 H new ATOM 0 HG3 PRO A 66 -0.336 -4.608 3.170 1.00 1.00 H new ATOM 0 HD2 PRO A 66 -3.268 -5.157 2.768 1.00 1.00 H new ATOM 0 HD3 PRO A 66 -2.348 -5.135 4.260 1.00 1.00 H new ATOM 1033 N LEU A 67 -4.109 -2.031 1.366 1.00 1.00 N ATOM 1034 CA LEU A 67 -5.068 -1.337 0.518 1.00 1.00 C ATOM 1035 C LEU A 67 -5.577 -0.076 1.208 1.00 1.00 C ATOM 1036 O LEU A 67 -5.686 0.982 0.589 1.00 1.00 O ATOM 1037 CB LEU A 67 -6.248 -2.260 0.207 1.00 1.00 C ATOM 1038 CG LEU A 67 -6.941 -1.794 -1.073 1.00 1.00 C ATOM 1039 CD1 LEU A 67 -6.355 -2.541 -2.271 1.00 1.00 C ATOM 1040 CD2 LEU A 67 -8.441 -2.086 -0.975 1.00 1.00 C ATOM 0 H LEU A 67 -4.362 -2.993 1.592 1.00 1.00 H new ATOM 0 HA LEU A 67 -4.570 -1.055 -0.410 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -5.899 -3.286 0.091 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -6.954 -2.256 1.037 1.00 1.00 H new ATOM 0 HG LEU A 67 -6.786 -0.723 -1.201 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -6.849 -2.209 -3.184 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -5.287 -2.335 -2.341 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -6.511 -3.612 -2.143 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -8.937 -1.754 -1.887 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -8.596 -3.157 -0.847 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -8.860 -1.555 -0.121 1.00 1.00 H new ATOM 1052 N CYS A 68 -5.884 -0.194 2.497 1.00 1.00 N ATOM 1053 CA CYS A 68 -6.379 0.944 3.259 1.00 1.00 C ATOM 1054 C CYS A 68 -5.284 1.995 3.419 1.00 1.00 C ATOM 1055 O CYS A 68 -5.568 3.171 3.645 1.00 1.00 O ATOM 1056 CB CYS A 68 -6.860 0.487 4.638 1.00 1.00 C ATOM 1057 SG CYS A 68 -5.567 0.798 5.865 1.00 1.00 S ATOM 0 H CYS A 68 -5.799 -1.059 3.030 1.00 1.00 H new ATOM 0 HA CYS A 68 -7.215 1.384 2.716 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -7.771 1.020 4.912 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -7.106 -0.575 4.615 1.00 1.00 H new ATOM 0 HG CYS A 68 -4.683 -0.154 5.814 1.00 1.00 H new ATOM 1063 N ARG A 69 -4.033 1.565 3.293 1.00 1.00 N ATOM 1064 CA ARG A 69 -2.907 2.483 3.419 1.00 1.00 C ATOM 1065 C ARG A 69 -2.777 3.335 2.164 1.00 1.00 C ATOM 1066 O ARG A 69 -2.792 4.564 2.231 1.00 1.00 O ATOM 1067 CB ARG A 69 -1.610 1.700 3.638 1.00 1.00 C ATOM 1068 CG ARG A 69 -1.089 1.955 5.054 1.00 1.00 C ATOM 1069 CD ARG A 69 -2.128 1.486 6.071 1.00 1.00 C ATOM 1070 NE ARG A 69 -1.506 0.627 7.072 1.00 1.00 N ATOM 1071 CZ ARG A 69 -1.343 -0.674 6.854 1.00 1.00 C ATOM 1072 NH1 ARG A 69 -1.730 -1.201 5.726 1.00 1.00 N ATOM 1073 NH2 ARG A 69 -0.795 -1.424 7.771 1.00 1.00 N ATOM 0 H ARG A 69 -3.775 0.596 3.106 1.00 1.00 H new ATOM 0 HA ARG A 69 -3.086 3.132 4.276 1.00 1.00 H new ATOM 0 HB2 ARG A 69 -1.787 0.635 3.491 1.00 1.00 H new ATOM 0 HB3 ARG A 69 -0.862 2.003 2.905 1.00 1.00 H new ATOM 0 HG2 ARG A 69 -0.149 1.425 5.208 1.00 1.00 H new ATOM 0 HG3 ARG A 69 -0.883 3.016 5.192 1.00 1.00 H new ATOM 0 HD2 ARG A 69 -2.587 2.348 6.556 1.00 1.00 H new ATOM 0 HD3 ARG A 69 -2.926 0.944 5.563 1.00 1.00 H new ATOM 0 HE ARG A 69 -1.191 1.031 7.954 1.00 1.00 H new ATOM 0 HH11 ARG A 69 -2.158 -0.615 5.010 1.00 1.00 H new ATOM 0 HH12 ARG A 69 -1.604 -2.200 5.560 1.00 1.00 H new ATOM 0 HH21 ARG A 69 -0.493 -1.012 8.653 1.00 1.00 H new ATOM 0 HH22 ARG A 69 -0.669 -2.423 7.605 1.00 1.00 H new ATOM 1087 N ARG A 70 -2.657 2.673 1.017 1.00 1.00 N ATOM 1088 CA ARG A 70 -2.533 3.383 -0.249 1.00 1.00 C ATOM 1089 C ARG A 70 -3.796 4.192 -0.527 1.00 1.00 C ATOM 1090 O ARG A 70 -3.725 5.335 -0.976 1.00 1.00 O ATOM 1091 CB ARG A 70 -2.298 2.389 -1.393 1.00 1.00 C ATOM 1092 CG ARG A 70 -1.192 1.393 -1.022 1.00 1.00 C ATOM 1093 CD ARG A 70 -0.009 2.117 -0.371 1.00 1.00 C ATOM 1094 NE ARG A 70 1.154 1.239 -0.338 1.00 1.00 N ATOM 1095 CZ ARG A 70 2.351 1.694 0.017 1.00 1.00 C ATOM 1096 NH1 ARG A 70 2.501 2.945 0.354 1.00 1.00 N ATOM 1097 NH2 ARG A 70 3.377 0.888 0.031 1.00 1.00 N ATOM 0 H ARG A 70 -2.643 1.656 0.939 1.00 1.00 H new ATOM 0 HA ARG A 70 -1.682 4.061 -0.183 1.00 1.00 H new ATOM 0 HB2 ARG A 70 -3.221 1.852 -1.611 1.00 1.00 H new ATOM 0 HB3 ARG A 70 -2.021 2.928 -2.299 1.00 1.00 H new ATOM 0 HG2 ARG A 70 -1.586 0.642 -0.338 1.00 1.00 H new ATOM 0 HG3 ARG A 70 -0.856 0.866 -1.915 1.00 1.00 H new ATOM 0 HD2 ARG A 70 0.225 3.024 -0.929 1.00 1.00 H new ATOM 0 HD3 ARG A 70 -0.272 2.424 0.641 1.00 1.00 H new ATOM 0 HE ARG A 70 1.047 0.257 -0.592 1.00 1.00 H new ATOM 0 HH11 ARG A 70 1.699 3.575 0.345 1.00 1.00 H new ATOM 0 HH12 ARG A 70 3.420 3.293 0.626 1.00 1.00 H new ATOM 0 HH21 ARG A 70 3.260 -0.091 -0.231 1.00 1.00 H new ATOM 0 HH22 ARG A 70 4.296 1.237 0.303 1.00 1.00 H new ATOM 1111 N LEU A 71 -4.949 3.592 -0.256 1.00 1.00 N ATOM 1112 CA LEU A 71 -6.216 4.278 -0.480 1.00 1.00 C ATOM 1113 C LEU A 71 -6.304 5.524 0.396 1.00 1.00 C ATOM 1114 O LEU A 71 -6.545 6.624 -0.100 1.00 1.00 O ATOM 1115 CB LEU A 71 -7.387 3.339 -0.177 1.00 1.00 C ATOM 1116 CG LEU A 71 -7.515 2.291 -1.293 1.00 1.00 C ATOM 1117 CD1 LEU A 71 -8.550 1.243 -0.883 1.00 1.00 C ATOM 1118 CD2 LEU A 71 -7.961 2.953 -2.607 1.00 1.00 C ATOM 0 H LEU A 71 -5.034 2.645 0.114 1.00 1.00 H new ATOM 0 HA LEU A 71 -6.269 4.580 -1.526 1.00 1.00 H new ATOM 0 HB2 LEU A 71 -7.231 2.845 0.782 1.00 1.00 H new ATOM 0 HB3 LEU A 71 -8.311 3.910 -0.094 1.00 1.00 H new ATOM 0 HG LEU A 71 -6.544 1.821 -1.447 1.00 1.00 H new ATOM 0 HD11 LEU A 71 -8.644 0.497 -1.672 1.00 1.00 H new ATOM 0 HD12 LEU A 71 -8.231 0.758 0.039 1.00 1.00 H new ATOM 0 HD13 LEU A 71 -9.514 1.726 -0.724 1.00 1.00 H new ATOM 0 HD21 LEU A 71 -8.046 2.195 -3.386 1.00 1.00 H new ATOM 0 HD22 LEU A 71 -8.928 3.434 -2.462 1.00 1.00 H new ATOM 0 HD23 LEU A 71 -7.225 3.700 -2.906 1.00 1.00 H new ATOM 1130 N ASN A 72 -6.097 5.349 1.697 1.00 1.00 N ATOM 1131 CA ASN A 72 -6.151 6.473 2.625 1.00 1.00 C ATOM 1132 C ASN A 72 -5.111 7.526 2.253 1.00 1.00 C ATOM 1133 O ASN A 72 -5.242 8.694 2.615 1.00 1.00 O ATOM 1134 CB ASN A 72 -5.899 5.985 4.053 1.00 1.00 C ATOM 1135 CG ASN A 72 -6.093 7.131 5.040 1.00 1.00 C ATOM 1136 OD1 ASN A 72 -5.762 6.999 6.217 1.00 1.00 O ATOM 1137 ND2 ASN A 72 -6.620 8.252 4.628 1.00 1.00 N ATOM 0 H ASN A 72 -5.892 4.448 2.130 1.00 1.00 H new ATOM 0 HA ASN A 72 -7.143 6.922 2.565 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -6.581 5.169 4.292 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.887 5.590 4.137 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -6.758 9.022 5.283 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -6.893 8.358 3.651 1.00 1.00 H new ATOM 1144 N THR A 73 -4.079 7.103 1.529 1.00 1.00 N ATOM 1145 CA THR A 73 -3.026 8.023 1.114 1.00 1.00 C ATOM 1146 C THR A 73 -3.485 8.862 -0.074 1.00 1.00 C ATOM 1147 O THR A 73 -3.641 10.078 0.038 1.00 1.00 O ATOM 1148 CB THR A 73 -1.762 7.244 0.740 1.00 1.00 C ATOM 1149 OG1 THR A 73 -1.383 6.411 1.826 1.00 1.00 O ATOM 1150 CG2 THR A 73 -0.627 8.222 0.429 1.00 1.00 C ATOM 0 H THR A 73 -3.950 6.139 1.220 1.00 1.00 H new ATOM 0 HA THR A 73 -2.803 8.688 1.948 1.00 1.00 H new ATOM 0 HB THR A 73 -1.962 6.631 -0.139 1.00 1.00 H new ATOM 0 HG1 THR A 73 -1.769 5.519 1.704 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.271 7.664 0.163 1.00 1.00 H new ATOM 0 HG22 THR A 73 -0.917 8.862 -0.404 1.00 1.00 H new ATOM 0 HG23 THR A 73 -0.426 8.837 1.306 1.00 1.00 H new ATOM 1158 N LEU A 74 -3.700 8.208 -1.212 1.00 1.00 N ATOM 1159 CA LEU A 74 -4.141 8.916 -2.409 1.00 1.00 C ATOM 1160 C LEU A 74 -5.352 9.787 -2.092 1.00 1.00 C ATOM 1161 O LEU A 74 -5.473 10.905 -2.595 1.00 1.00 O ATOM 1162 CB LEU A 74 -4.505 7.918 -3.513 1.00 1.00 C ATOM 1163 CG LEU A 74 -3.265 7.594 -4.356 1.00 1.00 C ATOM 1164 CD1 LEU A 74 -3.516 6.316 -5.160 1.00 1.00 C ATOM 1165 CD2 LEU A 74 -2.970 8.743 -5.327 1.00 1.00 C ATOM 0 H LEU A 74 -3.578 7.202 -1.330 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.324 9.550 -2.754 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -4.904 7.005 -3.072 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -5.288 8.334 -4.147 1.00 1.00 H new ATOM 0 HG LEU A 74 -2.413 7.457 -3.690 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -2.636 6.085 -5.760 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -3.717 5.490 -4.477 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -4.374 6.462 -5.816 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -2.088 8.501 -5.920 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -3.823 8.888 -5.989 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -2.789 9.658 -4.763 1.00 1.00 H new ATOM 1177 N ASN A 75 -6.246 9.269 -1.253 1.00 1.00 N ATOM 1178 CA ASN A 75 -7.443 10.010 -0.874 1.00 1.00 C ATOM 1179 C ASN A 75 -7.072 11.393 -0.355 1.00 1.00 C ATOM 1180 O ASN A 75 -7.842 12.346 -0.487 1.00 1.00 O ATOM 1181 CB ASN A 75 -8.213 9.246 0.206 1.00 1.00 C ATOM 1182 CG ASN A 75 -8.774 7.954 -0.370 1.00 1.00 C ATOM 1183 OD1 ASN A 75 -8.862 7.804 -1.588 1.00 1.00 O ATOM 1184 ND2 ASN A 75 -9.154 7.003 0.437 1.00 1.00 N ATOM 0 H ASN A 75 -6.164 8.346 -0.826 1.00 1.00 H new ATOM 0 HA ASN A 75 -8.073 10.121 -1.756 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -7.554 9.024 1.045 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -9.024 9.864 0.592 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -9.526 6.131 0.059 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -9.080 7.131 1.446 1.00 1.00 H new ATOM 1191 N LYS A 76 -5.887 11.497 0.236 1.00 1.00 N ATOM 1192 CA LYS A 76 -5.420 12.770 0.770 1.00 1.00 C ATOM 1193 C LYS A 76 -4.657 13.548 -0.295 1.00 1.00 C ATOM 1194 O LYS A 76 -4.523 14.768 -0.209 1.00 1.00 O ATOM 1195 CB LYS A 76 -4.515 12.527 1.980 1.00 1.00 C ATOM 1196 CG LYS A 76 -4.069 13.867 2.566 1.00 1.00 C ATOM 1197 CD LYS A 76 -3.632 13.668 4.018 1.00 1.00 C ATOM 1198 CE LYS A 76 -2.638 12.509 4.095 1.00 1.00 C ATOM 1199 NZ LYS A 76 -1.868 12.600 5.368 1.00 1.00 N ATOM 0 H LYS A 76 -5.236 10.721 0.357 1.00 1.00 H new ATOM 0 HA LYS A 76 -6.286 13.356 1.078 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -5.048 11.948 2.735 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -3.645 11.941 1.684 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -3.246 14.276 1.980 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -4.885 14.588 2.516 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -3.174 14.580 4.400 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -4.499 13.460 4.645 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -3.167 11.558 4.045 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -1.959 12.541 3.243 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -1.191 11.812 5.422 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -1.352 13.502 5.398 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -2.523 12.549 6.174 1.00 1.00 H new ATOM 1213 N CYS A 77 -4.158 12.833 -1.298 1.00 1.00 N ATOM 1214 CA CYS A 77 -3.409 13.467 -2.378 1.00 1.00 C ATOM 1215 C CYS A 77 -4.327 13.768 -3.558 1.00 1.00 C ATOM 1216 O CYS A 77 -3.972 14.539 -4.449 1.00 1.00 O ATOM 1217 CB CYS A 77 -2.272 12.550 -2.832 1.00 1.00 C ATOM 1218 SG CYS A 77 -1.851 11.404 -1.497 1.00 1.00 S ATOM 0 H CYS A 77 -4.257 11.822 -1.386 1.00 1.00 H new ATOM 0 HA CYS A 77 -2.993 14.404 -2.008 1.00 1.00 H new ATOM 0 HB2 CYS A 77 -2.571 11.995 -3.721 1.00 1.00 H new ATOM 0 HB3 CYS A 77 -1.399 13.143 -3.105 1.00 1.00 H new ATOM 0 HG CYS A 77 -2.942 10.943 -0.961 1.00 1.00 H new ATOM 1224 N ALA A 78 -5.507 13.156 -3.556 1.00 1.00 N ATOM 1225 CA ALA A 78 -6.467 13.367 -4.631 1.00 1.00 C ATOM 1226 C ALA A 78 -7.154 14.719 -4.476 1.00 1.00 C ATOM 1227 O ALA A 78 -8.049 15.064 -5.249 1.00 1.00 O ATOM 1228 CB ALA A 78 -7.517 12.253 -4.619 1.00 1.00 C ATOM 0 H ALA A 78 -5.819 12.514 -2.827 1.00 1.00 H new ATOM 0 HA ALA A 78 -5.932 13.351 -5.581 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -8.231 12.418 -5.426 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -7.027 11.290 -4.759 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -8.041 12.258 -3.663 1.00 1.00 H new