USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=10 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 72 ASN : amide:sc= 0.989 K(o=2.2,f=-13!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ 133:sc= 1.21 (180deg=-0.299) USER MOD Single : A 22 LYS NZ :NH3+ -169:sc= -0.922 (180deg=-1.31) USER MOD Single : A 25 CYS SG : rot 11:sc= -1.15! USER MOD Single : A 35 GLN : amide:sc= -2.48! C(o=-2.5!,f=-2.2!) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.171 USER MOD Single : A 38 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.095) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -58:sc= 0.262 USER MOD Single : A 44 GLN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 48 ASN : amide:sc= -3.61! C(o=-3.6!,f=-7.2!) USER MOD Single : A 53 LYS NZ :NH3+ 155:sc= -5.4! (180deg=-6.87!) USER MOD Single : A 68 CYS SG : rot -36:sc= -1.15 USER MOD Single : A 73 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 75 ASN : amide:sc= -8.1! C(o=-8.1!,f=-11!) USER MOD Single : A 77 CYS SG : rot -5:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 293 N GLU A 20 3.935 8.790 -2.083 1.00 1.00 N ATOM 294 CA GLU A 20 3.052 7.674 -1.771 1.00 1.00 C ATOM 295 C GLU A 20 1.960 7.552 -2.829 1.00 1.00 C ATOM 296 O GLU A 20 1.543 6.451 -3.178 1.00 1.00 O ATOM 297 CB GLU A 20 2.418 7.880 -0.395 1.00 1.00 C ATOM 298 CG GLU A 20 3.424 7.503 0.694 1.00 1.00 C ATOM 299 CD GLU A 20 2.806 7.720 2.071 1.00 1.00 C ATOM 300 OE1 GLU A 20 2.088 6.841 2.521 1.00 1.00 O ATOM 301 OE2 GLU A 20 3.058 8.761 2.654 1.00 1.00 O ATOM 0 HA GLU A 20 3.639 6.756 -1.762 1.00 1.00 H new ATOM 0 HB2 GLU A 20 2.111 8.919 -0.277 1.00 1.00 H new ATOM 0 HB3 GLU A 20 1.520 7.269 -0.302 1.00 1.00 H new ATOM 0 HG2 GLU A 20 3.722 6.461 0.580 1.00 1.00 H new ATOM 0 HG3 GLU A 20 4.326 8.106 0.592 1.00 1.00 H new ATOM 308 N ALA A 21 1.498 8.696 -3.327 1.00 1.00 N ATOM 309 CA ALA A 21 0.449 8.710 -4.342 1.00 1.00 C ATOM 310 C ALA A 21 0.888 7.942 -5.589 1.00 1.00 C ATOM 311 O ALA A 21 0.231 6.990 -6.008 1.00 1.00 O ATOM 312 CB ALA A 21 0.107 10.152 -4.727 1.00 1.00 C ATOM 0 H ALA A 21 1.831 9.619 -3.047 1.00 1.00 H new ATOM 0 HA ALA A 21 -0.433 8.225 -3.923 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -0.677 10.150 -5.485 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -0.241 10.691 -3.846 1.00 1.00 H new ATOM 0 HB3 ALA A 21 0.995 10.643 -5.125 1.00 1.00 H new ATOM 318 N LYS A 22 1.989 8.378 -6.192 1.00 1.00 N ATOM 319 CA LYS A 22 2.493 7.738 -7.405 1.00 1.00 C ATOM 320 C LYS A 22 2.543 6.218 -7.266 1.00 1.00 C ATOM 321 O LYS A 22 2.019 5.500 -8.116 1.00 1.00 O ATOM 322 CB LYS A 22 3.895 8.265 -7.725 1.00 1.00 C ATOM 323 CG LYS A 22 3.879 9.014 -9.062 1.00 1.00 C ATOM 324 CD LYS A 22 3.641 8.021 -10.204 1.00 1.00 C ATOM 325 CE LYS A 22 2.575 8.577 -11.151 1.00 1.00 C ATOM 326 NZ LYS A 22 1.238 8.501 -10.499 1.00 1.00 N ATOM 0 H LYS A 22 2.547 9.166 -5.865 1.00 1.00 H new ATOM 0 HA LYS A 22 1.806 7.981 -8.216 1.00 1.00 H new ATOM 0 HB2 LYS A 22 4.233 8.930 -6.930 1.00 1.00 H new ATOM 0 HB3 LYS A 22 4.602 7.437 -7.771 1.00 1.00 H new ATOM 0 HG2 LYS A 22 3.096 9.772 -9.056 1.00 1.00 H new ATOM 0 HG3 LYS A 22 4.825 9.534 -9.210 1.00 1.00 H new ATOM 0 HD2 LYS A 22 4.570 7.846 -10.747 1.00 1.00 H new ATOM 0 HD3 LYS A 22 3.320 7.059 -9.803 1.00 1.00 H new ATOM 0 HE2 LYS A 22 2.807 9.610 -11.409 1.00 1.00 H new ATOM 0 HE3 LYS A 22 2.570 8.010 -12.082 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 0.497 8.701 -11.201 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 1.096 7.548 -10.108 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 1.186 9.201 -9.732 1.00 1.00 H new ATOM 340 N GLU A 23 3.177 5.729 -6.207 1.00 1.00 N ATOM 341 CA GLU A 23 3.281 4.289 -6.007 1.00 1.00 C ATOM 342 C GLU A 23 1.908 3.704 -5.724 1.00 1.00 C ATOM 343 O GLU A 23 1.507 2.722 -6.340 1.00 1.00 O ATOM 344 CB GLU A 23 4.243 3.960 -4.858 1.00 1.00 C ATOM 345 CG GLU A 23 3.855 4.742 -3.601 1.00 1.00 C ATOM 346 CD GLU A 23 4.997 4.706 -2.590 1.00 1.00 C ATOM 347 OE1 GLU A 23 6.116 4.996 -2.984 1.00 1.00 O ATOM 348 OE2 GLU A 23 4.735 4.411 -1.437 1.00 1.00 O ATOM 0 H GLU A 23 3.620 6.297 -5.485 1.00 1.00 H new ATOM 0 HA GLU A 23 3.679 3.845 -6.919 1.00 1.00 H new ATOM 0 HB2 GLU A 23 4.220 2.890 -4.651 1.00 1.00 H new ATOM 0 HB3 GLU A 23 5.264 4.207 -5.148 1.00 1.00 H new ATOM 0 HG2 GLU A 23 3.622 5.774 -3.862 1.00 1.00 H new ATOM 0 HG3 GLU A 23 2.955 4.314 -3.160 1.00 1.00 H new ATOM 355 N ALA A 24 1.194 4.317 -4.789 1.00 1.00 N ATOM 356 CA ALA A 24 -0.138 3.853 -4.429 1.00 1.00 C ATOM 357 C ALA A 24 -0.908 3.392 -5.662 1.00 1.00 C ATOM 358 O ALA A 24 -1.452 2.287 -5.689 1.00 1.00 O ATOM 359 CB ALA A 24 -0.909 4.979 -3.740 1.00 1.00 C ATOM 0 H ALA A 24 1.514 5.134 -4.268 1.00 1.00 H new ATOM 0 HA ALA A 24 -0.032 3.007 -3.749 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -1.905 4.627 -3.472 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -0.378 5.285 -2.839 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -0.994 5.829 -4.417 1.00 1.00 H new ATOM 365 N CYS A 25 -0.954 4.244 -6.680 1.00 1.00 N ATOM 366 CA CYS A 25 -1.666 3.913 -7.910 1.00 1.00 C ATOM 367 C CYS A 25 -0.884 2.895 -8.735 1.00 1.00 C ATOM 368 O CYS A 25 -1.470 2.016 -9.365 1.00 1.00 O ATOM 369 CB CYS A 25 -1.889 5.180 -8.738 1.00 1.00 C ATOM 370 SG CYS A 25 -1.802 4.772 -10.499 1.00 1.00 S ATOM 0 H CYS A 25 -0.511 5.163 -6.679 1.00 1.00 H new ATOM 0 HA CYS A 25 -2.628 3.476 -7.641 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -2.860 5.615 -8.502 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -1.136 5.927 -8.489 1.00 1.00 H new ATOM 0 HG CYS A 25 -1.803 3.480 -10.646 1.00 1.00 H new ATOM 376 N ASP A 26 0.441 3.016 -8.726 1.00 1.00 N ATOM 377 CA ASP A 26 1.282 2.090 -9.480 1.00 1.00 C ATOM 378 C ASP A 26 1.363 0.742 -8.771 1.00 1.00 C ATOM 379 O ASP A 26 1.805 -0.251 -9.351 1.00 1.00 O ATOM 380 CB ASP A 26 2.690 2.670 -9.636 1.00 1.00 C ATOM 381 CG ASP A 26 3.241 2.345 -11.020 1.00 1.00 C ATOM 382 OD1 ASP A 26 3.166 1.193 -11.414 1.00 1.00 O ATOM 383 OD2 ASP A 26 3.739 3.255 -11.663 1.00 1.00 O ATOM 0 H ASP A 26 0.950 3.735 -8.213 1.00 1.00 H new ATOM 0 HA ASP A 26 0.837 1.945 -10.465 1.00 1.00 H new ATOM 0 HB2 ASP A 26 2.665 3.750 -9.491 1.00 1.00 H new ATOM 0 HB3 ASP A 26 3.347 2.260 -8.869 1.00 1.00 H new ATOM 388 N TRP A 27 0.935 0.714 -7.514 1.00 1.00 N ATOM 389 CA TRP A 27 0.962 -0.516 -6.730 1.00 1.00 C ATOM 390 C TRP A 27 -0.374 -1.242 -6.830 1.00 1.00 C ATOM 391 O TRP A 27 -0.429 -2.416 -7.193 1.00 1.00 O ATOM 392 CB TRP A 27 1.263 -0.194 -5.265 1.00 1.00 C ATOM 393 CG TRP A 27 1.373 -1.467 -4.488 1.00 1.00 C ATOM 394 CD1 TRP A 27 2.485 -2.233 -4.403 1.00 1.00 C ATOM 395 CD2 TRP A 27 0.355 -2.134 -3.687 1.00 1.00 C ATOM 396 NE1 TRP A 27 2.214 -3.327 -3.602 1.00 1.00 N ATOM 397 CE2 TRP A 27 0.914 -3.311 -3.137 1.00 1.00 C ATOM 398 CE3 TRP A 27 -0.987 -1.834 -3.388 1.00 1.00 C ATOM 399 CZ2 TRP A 27 0.169 -4.162 -2.319 1.00 1.00 C ATOM 400 CZ3 TRP A 27 -1.739 -2.688 -2.565 1.00 1.00 C ATOM 401 CH2 TRP A 27 -1.163 -3.849 -2.031 1.00 1.00 C ATOM 0 H TRP A 27 0.567 1.525 -7.017 1.00 1.00 H new ATOM 0 HA TRP A 27 1.744 -1.163 -7.127 1.00 1.00 H new ATOM 0 HB2 TRP A 27 2.191 0.372 -5.189 1.00 1.00 H new ATOM 0 HB3 TRP A 27 0.473 0.431 -4.849 1.00 1.00 H new ATOM 0 HD1 TRP A 27 3.430 -2.024 -4.882 1.00 1.00 H new ATOM 0 HE1 TRP A 27 2.892 -4.057 -3.382 1.00 1.00 H new ATOM 0 HE3 TRP A 27 -1.441 -0.942 -3.794 1.00 1.00 H new ATOM 0 HZ2 TRP A 27 0.618 -5.056 -1.912 1.00 1.00 H new ATOM 0 HZ3 TRP A 27 -2.768 -2.449 -2.342 1.00 1.00 H new ATOM 0 HH2 TRP A 27 -1.747 -4.501 -1.398 1.00 1.00 H new ATOM 412 N LEU A 28 -1.452 -0.534 -6.505 1.00 1.00 N ATOM 413 CA LEU A 28 -2.785 -1.123 -6.566 1.00 1.00 C ATOM 414 C LEU A 28 -2.935 -1.959 -7.831 1.00 1.00 C ATOM 415 O LEU A 28 -3.682 -2.937 -7.860 1.00 1.00 O ATOM 416 CB LEU A 28 -3.847 -0.021 -6.555 1.00 1.00 C ATOM 417 CG LEU A 28 -4.026 0.516 -5.132 1.00 1.00 C ATOM 418 CD1 LEU A 28 -4.555 1.951 -5.191 1.00 1.00 C ATOM 419 CD2 LEU A 28 -5.026 -0.358 -4.368 1.00 1.00 C ATOM 0 H LEU A 28 -1.429 0.439 -6.200 1.00 1.00 H new ATOM 0 HA LEU A 28 -2.921 -1.764 -5.695 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -3.552 0.788 -7.224 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -4.794 -0.413 -6.927 1.00 1.00 H new ATOM 0 HG LEU A 28 -3.064 0.498 -4.620 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -4.683 2.334 -4.178 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -3.845 2.579 -5.729 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -5.515 1.964 -5.707 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -5.149 0.029 -3.357 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -5.988 -0.344 -4.881 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -4.654 -1.381 -4.322 1.00 1.00 H new ATOM 431 N ARG A 29 -2.217 -1.562 -8.877 1.00 1.00 N ATOM 432 CA ARG A 29 -2.273 -2.274 -10.146 1.00 1.00 C ATOM 433 C ARG A 29 -1.341 -3.480 -10.123 1.00 1.00 C ATOM 434 O ARG A 29 -1.629 -4.513 -10.728 1.00 1.00 O ATOM 435 CB ARG A 29 -1.873 -1.328 -11.281 1.00 1.00 C ATOM 436 CG ARG A 29 -1.473 -2.141 -12.513 1.00 1.00 C ATOM 437 CD ARG A 29 -1.521 -1.250 -13.756 1.00 1.00 C ATOM 438 NE ARG A 29 -2.907 -1.031 -14.175 1.00 1.00 N ATOM 439 CZ ARG A 29 -3.576 0.076 -13.874 1.00 1.00 C ATOM 440 NH1 ARG A 29 -3.000 1.016 -13.174 1.00 1.00 N ATOM 441 NH2 ARG A 29 -4.807 0.225 -14.277 1.00 1.00 N ATOM 0 H ARG A 29 -1.593 -0.755 -8.870 1.00 1.00 H new ATOM 0 HA ARG A 29 -3.291 -2.627 -10.308 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -2.703 -0.665 -11.525 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -1.043 -0.696 -10.965 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -0.470 -2.547 -12.383 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -2.146 -2.989 -12.635 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -1.043 -0.294 -13.544 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -0.959 -1.715 -14.566 1.00 1.00 H new ATOM 0 HE ARG A 29 -3.376 -1.756 -14.718 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -2.037 0.900 -12.859 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -3.513 1.867 -12.942 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -5.257 -0.509 -14.824 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -5.320 1.076 -14.045 1.00 1.00 H new ATOM 455 N ALA A 30 -0.221 -3.342 -9.420 1.00 1.00 N ATOM 456 CA ALA A 30 0.749 -4.427 -9.323 1.00 1.00 C ATOM 457 C ALA A 30 0.259 -5.496 -8.352 1.00 1.00 C ATOM 458 O ALA A 30 0.648 -6.661 -8.450 1.00 1.00 O ATOM 459 CB ALA A 30 2.097 -3.881 -8.847 1.00 1.00 C ATOM 0 H ALA A 30 0.036 -2.496 -8.912 1.00 1.00 H new ATOM 0 HA ALA A 30 0.867 -4.875 -10.310 1.00 1.00 H new ATOM 0 HB1 ALA A 30 2.816 -4.697 -8.777 1.00 1.00 H new ATOM 0 HB2 ALA A 30 2.460 -3.138 -9.557 1.00 1.00 H new ATOM 0 HB3 ALA A 30 1.977 -3.419 -7.867 1.00 1.00 H new ATOM 465 N ALA A 31 -0.597 -5.094 -7.419 1.00 1.00 N ATOM 466 CA ALA A 31 -1.133 -6.027 -6.435 1.00 1.00 C ATOM 467 C ALA A 31 -2.276 -6.839 -7.037 1.00 1.00 C ATOM 468 O ALA A 31 -2.702 -7.846 -6.469 1.00 1.00 O ATOM 469 CB ALA A 31 -1.637 -5.264 -5.209 1.00 1.00 C ATOM 0 H ALA A 31 -0.933 -4.136 -7.323 1.00 1.00 H new ATOM 0 HA ALA A 31 -0.336 -6.707 -6.135 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -2.035 -5.969 -4.480 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -0.813 -4.707 -4.763 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -2.422 -4.571 -5.510 1.00 1.00 H new ATOM 475 N GLY A 32 -2.768 -6.395 -8.188 1.00 1.00 N ATOM 476 CA GLY A 32 -3.863 -7.088 -8.858 1.00 1.00 C ATOM 477 C GLY A 32 -5.181 -6.348 -8.654 1.00 1.00 C ATOM 478 O GLY A 32 -6.257 -6.932 -8.773 1.00 1.00 O ATOM 0 H GLY A 32 -2.429 -5.565 -8.674 1.00 1.00 H new ATOM 0 HA2 GLY A 32 -3.649 -7.170 -9.924 1.00 1.00 H new ATOM 0 HA3 GLY A 32 -3.948 -8.103 -8.470 1.00 1.00 H new ATOM 482 N PHE A 33 -5.086 -5.058 -8.343 1.00 1.00 N ATOM 483 CA PHE A 33 -6.277 -4.244 -8.123 1.00 1.00 C ATOM 484 C PHE A 33 -6.143 -2.896 -8.827 1.00 1.00 C ATOM 485 O PHE A 33 -6.209 -1.845 -8.190 1.00 1.00 O ATOM 486 CB PHE A 33 -6.484 -4.020 -6.625 1.00 1.00 C ATOM 487 CG PHE A 33 -6.218 -5.306 -5.877 1.00 1.00 C ATOM 488 CD1 PHE A 33 -6.945 -6.459 -6.195 1.00 1.00 C ATOM 489 CD2 PHE A 33 -5.248 -5.345 -4.869 1.00 1.00 C ATOM 490 CE1 PHE A 33 -6.699 -7.653 -5.504 1.00 1.00 C ATOM 491 CE2 PHE A 33 -5.003 -6.538 -4.178 1.00 1.00 C ATOM 492 CZ PHE A 33 -5.730 -7.692 -4.496 1.00 1.00 C ATOM 0 H PHE A 33 -4.204 -4.557 -8.238 1.00 1.00 H new ATOM 0 HA PHE A 33 -7.137 -4.772 -8.535 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -5.816 -3.236 -6.269 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -7.503 -3.681 -6.435 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -7.695 -6.428 -6.972 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -4.688 -4.455 -4.624 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -7.258 -8.544 -5.750 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -4.254 -6.568 -3.400 1.00 1.00 H new ATOM 0 HZ PHE A 33 -5.542 -8.612 -3.963 1.00 1.00 H new ATOM 502 N PRO A 34 -5.959 -2.911 -10.121 1.00 1.00 N ATOM 503 CA PRO A 34 -5.815 -1.663 -10.926 1.00 1.00 C ATOM 504 C PRO A 34 -7.120 -0.874 -10.992 1.00 1.00 C ATOM 505 O PRO A 34 -7.134 0.289 -11.398 1.00 1.00 O ATOM 506 CB PRO A 34 -5.406 -2.161 -12.315 1.00 1.00 C ATOM 507 CG PRO A 34 -5.866 -3.580 -12.388 1.00 1.00 C ATOM 508 CD PRO A 34 -5.870 -4.119 -10.958 1.00 1.00 C ATOM 0 HA PRO A 34 -5.088 -0.978 -10.490 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -5.867 -1.559 -13.098 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -4.327 -2.092 -12.454 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -6.862 -3.641 -12.827 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -5.202 -4.169 -13.021 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -6.714 -4.787 -10.786 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -4.965 -4.687 -10.743 1.00 1.00 H new ATOM 516 N GLN A 35 -8.210 -1.514 -10.588 1.00 1.00 N ATOM 517 CA GLN A 35 -9.515 -0.868 -10.600 1.00 1.00 C ATOM 518 C GLN A 35 -9.488 0.405 -9.762 1.00 1.00 C ATOM 519 O GLN A 35 -10.180 1.376 -10.064 1.00 1.00 O ATOM 520 CB GLN A 35 -10.567 -1.829 -10.047 1.00 1.00 C ATOM 521 CG GLN A 35 -11.825 -1.053 -9.659 1.00 1.00 C ATOM 522 CD GLN A 35 -11.717 -0.560 -8.220 1.00 1.00 C ATOM 523 OE1 GLN A 35 -11.439 -1.346 -7.314 1.00 1.00 O ATOM 524 NE2 GLN A 35 -11.928 0.701 -7.954 1.00 1.00 N ATOM 0 H GLN A 35 -8.216 -2.476 -10.249 1.00 1.00 H new ATOM 0 HA GLN A 35 -9.767 -0.603 -11.627 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -10.811 -2.585 -10.794 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -10.171 -2.355 -9.178 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -11.961 -0.206 -10.332 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -12.702 -1.691 -9.768 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -12.158 1.349 -8.707 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -11.863 1.037 -6.993 1.00 1.00 H new ATOM 533 N TYR A 36 -8.688 0.389 -8.703 1.00 1.00 N ATOM 534 CA TYR A 36 -8.580 1.547 -7.823 1.00 1.00 C ATOM 535 C TYR A 36 -7.947 2.725 -8.548 1.00 1.00 C ATOM 536 O TYR A 36 -8.605 3.732 -8.787 1.00 1.00 O ATOM 537 CB TYR A 36 -7.735 1.197 -6.602 1.00 1.00 C ATOM 538 CG TYR A 36 -8.526 0.292 -5.694 1.00 1.00 C ATOM 539 CD1 TYR A 36 -9.662 0.784 -5.039 1.00 1.00 C ATOM 540 CD2 TYR A 36 -8.130 -1.037 -5.505 1.00 1.00 C ATOM 541 CE1 TYR A 36 -10.401 -0.053 -4.194 1.00 1.00 C ATOM 542 CE2 TYR A 36 -8.869 -1.874 -4.661 1.00 1.00 C ATOM 543 CZ TYR A 36 -10.004 -1.383 -4.006 1.00 1.00 C ATOM 544 OH TYR A 36 -10.730 -2.208 -3.174 1.00 1.00 O ATOM 0 H TYR A 36 -8.109 -0.406 -8.434 1.00 1.00 H new ATOM 0 HA TYR A 36 -9.586 1.827 -7.509 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -6.813 0.705 -6.912 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -7.449 2.105 -6.071 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -9.968 1.809 -5.186 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -7.254 -1.417 -6.010 1.00 1.00 H new ATOM 0 HE1 TYR A 36 -11.276 0.327 -3.688 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -8.563 -2.899 -4.515 1.00 1.00 H new ATOM 0 HH TYR A 36 -10.320 -3.098 -3.156 1.00 1.00 H new ATOM 554 N ALA A 37 -6.668 2.587 -8.888 1.00 1.00 N ATOM 555 CA ALA A 37 -5.942 3.649 -9.584 1.00 1.00 C ATOM 556 C ALA A 37 -6.857 4.382 -10.556 1.00 1.00 C ATOM 557 O ALA A 37 -6.824 5.608 -10.653 1.00 1.00 O ATOM 558 CB ALA A 37 -4.755 3.057 -10.345 1.00 1.00 C ATOM 0 H ALA A 37 -6.113 1.753 -8.694 1.00 1.00 H new ATOM 0 HA ALA A 37 -5.581 4.360 -8.841 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -4.219 3.854 -10.861 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -4.083 2.563 -9.643 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -5.116 2.331 -11.074 1.00 1.00 H new ATOM 564 N GLN A 38 -7.679 3.624 -11.267 1.00 1.00 N ATOM 565 CA GLN A 38 -8.607 4.209 -12.222 1.00 1.00 C ATOM 566 C GLN A 38 -9.310 5.419 -11.609 1.00 1.00 C ATOM 567 O GLN A 38 -9.451 6.460 -12.252 1.00 1.00 O ATOM 568 CB GLN A 38 -9.640 3.163 -12.634 1.00 1.00 C ATOM 569 CG GLN A 38 -9.564 2.932 -14.143 1.00 1.00 C ATOM 570 CD GLN A 38 -9.955 4.207 -14.885 1.00 1.00 C ATOM 571 OE1 GLN A 38 -9.426 4.488 -15.960 1.00 1.00 O ATOM 572 NE2 GLN A 38 -10.857 4.998 -14.371 1.00 1.00 N ATOM 0 H GLN A 38 -7.722 2.607 -11.201 1.00 1.00 H new ATOM 0 HA GLN A 38 -8.051 4.538 -13.100 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -9.457 2.229 -12.103 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -10.640 3.496 -12.357 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -8.554 2.633 -14.423 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -10.229 2.117 -14.429 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -11.294 4.762 -13.480 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -11.125 5.852 -14.861 1.00 1.00 H new ATOM 581 N LEU A 39 -9.750 5.271 -10.362 1.00 1.00 N ATOM 582 CA LEU A 39 -10.436 6.355 -9.666 1.00 1.00 C ATOM 583 C LEU A 39 -9.557 7.602 -9.607 1.00 1.00 C ATOM 584 O LEU A 39 -10.062 8.724 -9.574 1.00 1.00 O ATOM 585 CB LEU A 39 -10.806 5.913 -8.248 1.00 1.00 C ATOM 586 CG LEU A 39 -12.074 5.059 -8.294 1.00 1.00 C ATOM 587 CD1 LEU A 39 -12.044 4.037 -7.157 1.00 1.00 C ATOM 588 CD2 LEU A 39 -13.300 5.962 -8.133 1.00 1.00 C ATOM 0 H LEU A 39 -9.644 4.416 -9.816 1.00 1.00 H new ATOM 0 HA LEU A 39 -11.344 6.598 -10.217 1.00 1.00 H new ATOM 0 HB2 LEU A 39 -9.987 5.344 -7.808 1.00 1.00 H new ATOM 0 HB3 LEU A 39 -10.965 6.785 -7.614 1.00 1.00 H new ATOM 0 HG LEU A 39 -12.126 4.537 -9.250 1.00 1.00 H new ATOM 0 HD11 LEU A 39 -12.948 3.429 -7.190 1.00 1.00 H new ATOM 0 HD12 LEU A 39 -11.170 3.395 -7.268 1.00 1.00 H new ATOM 0 HD13 LEU A 39 -11.992 4.558 -6.201 1.00 1.00 H new ATOM 0 HD21 LEU A 39 -14.205 5.356 -8.165 1.00 1.00 H new ATOM 0 HD22 LEU A 39 -13.246 6.482 -7.177 1.00 1.00 H new ATOM 0 HD23 LEU A 39 -13.323 6.692 -8.942 1.00 1.00 H new ATOM 600 N TYR A 40 -8.242 7.401 -9.598 1.00 1.00 N ATOM 601 CA TYR A 40 -7.312 8.525 -9.548 1.00 1.00 C ATOM 602 C TYR A 40 -7.535 9.447 -10.741 1.00 1.00 C ATOM 603 O TYR A 40 -7.942 10.598 -10.581 1.00 1.00 O ATOM 604 CB TYR A 40 -5.869 8.019 -9.553 1.00 1.00 C ATOM 605 CG TYR A 40 -4.930 9.163 -9.242 1.00 1.00 C ATOM 606 CD1 TYR A 40 -4.954 9.763 -7.978 1.00 1.00 C ATOM 607 CD2 TYR A 40 -4.037 9.620 -10.218 1.00 1.00 C ATOM 608 CE1 TYR A 40 -4.083 10.821 -7.689 1.00 1.00 C ATOM 609 CE2 TYR A 40 -3.167 10.679 -9.930 1.00 1.00 C ATOM 610 CZ TYR A 40 -3.190 11.280 -8.665 1.00 1.00 C ATOM 611 OH TYR A 40 -2.332 12.322 -8.380 1.00 1.00 O ATOM 0 H TYR A 40 -7.800 6.482 -9.624 1.00 1.00 H new ATOM 0 HA TYR A 40 -7.492 9.081 -8.628 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -5.749 7.225 -8.816 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -5.627 7.590 -10.525 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -5.644 9.410 -7.226 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -4.019 9.156 -11.193 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -4.100 11.283 -6.713 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -2.478 11.032 -10.683 1.00 1.00 H new ATOM 0 HH TYR A 40 -1.779 12.515 -9.166 1.00 1.00 H new ATOM 621 N GLU A 41 -7.267 8.934 -11.936 1.00 1.00 N ATOM 622 CA GLU A 41 -7.449 9.723 -13.147 1.00 1.00 C ATOM 623 C GLU A 41 -8.768 10.486 -13.085 1.00 1.00 C ATOM 624 O GLU A 41 -8.862 11.621 -13.549 1.00 1.00 O ATOM 625 CB GLU A 41 -7.438 8.812 -14.376 1.00 1.00 C ATOM 626 CG GLU A 41 -6.137 8.006 -14.401 1.00 1.00 C ATOM 627 CD GLU A 41 -6.416 6.553 -14.030 1.00 1.00 C ATOM 628 OE1 GLU A 41 -7.134 5.901 -14.770 1.00 1.00 O ATOM 629 OE2 GLU A 41 -5.912 6.117 -13.009 1.00 1.00 O ATOM 0 H GLU A 41 -6.926 7.985 -12.091 1.00 1.00 H new ATOM 0 HA GLU A 41 -6.628 10.436 -13.224 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -8.295 8.139 -14.351 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -7.527 9.408 -15.284 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -5.687 8.057 -15.393 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -5.419 8.437 -13.703 1.00 1.00 H new ATOM 636 N ASP A 42 -9.785 9.851 -12.507 1.00 1.00 N ATOM 637 CA ASP A 42 -11.097 10.477 -12.387 1.00 1.00 C ATOM 638 C ASP A 42 -11.090 11.512 -11.264 1.00 1.00 C ATOM 639 O ASP A 42 -11.832 12.492 -11.308 1.00 1.00 O ATOM 640 CB ASP A 42 -12.156 9.411 -12.100 1.00 1.00 C ATOM 641 CG ASP A 42 -12.446 8.611 -13.366 1.00 1.00 C ATOM 642 OD1 ASP A 42 -11.525 8.002 -13.883 1.00 1.00 O ATOM 643 OD2 ASP A 42 -13.587 8.619 -13.798 1.00 1.00 O ATOM 0 H ASP A 42 -9.726 8.910 -12.117 1.00 1.00 H new ATOM 0 HA ASP A 42 -11.334 10.978 -13.326 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -11.809 8.745 -11.310 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -13.071 9.882 -11.740 1.00 1.00 H new ATOM 648 N SER A 43 -10.241 11.286 -10.266 1.00 1.00 N ATOM 649 CA SER A 43 -10.132 12.204 -9.133 1.00 1.00 C ATOM 650 C SER A 43 -11.240 11.956 -8.115 1.00 1.00 C ATOM 651 O SER A 43 -11.802 12.899 -7.557 1.00 1.00 O ATOM 652 CB SER A 43 -10.201 13.650 -9.624 1.00 1.00 C ATOM 653 OG SER A 43 -11.551 14.095 -9.586 1.00 1.00 O ATOM 0 H SER A 43 -9.620 10.479 -10.217 1.00 1.00 H new ATOM 0 HA SER A 43 -9.172 12.028 -8.647 1.00 1.00 H new ATOM 0 HB2 SER A 43 -9.578 14.289 -8.998 1.00 1.00 H new ATOM 0 HB3 SER A 43 -9.811 13.720 -10.639 1.00 1.00 H new ATOM 0 HG SER A 43 -12.104 13.509 -10.144 1.00 1.00 H new ATOM 659 N GLN A 44 -11.548 10.685 -7.872 1.00 1.00 N ATOM 660 CA GLN A 44 -12.587 10.328 -6.912 1.00 1.00 C ATOM 661 C GLN A 44 -12.105 9.201 -6.005 1.00 1.00 C ATOM 662 O GLN A 44 -12.832 8.242 -5.746 1.00 1.00 O ATOM 663 CB GLN A 44 -13.850 9.885 -7.652 1.00 1.00 C ATOM 664 CG GLN A 44 -14.075 10.798 -8.857 1.00 1.00 C ATOM 665 CD GLN A 44 -15.404 10.466 -9.525 1.00 1.00 C ATOM 666 OE1 GLN A 44 -16.170 11.367 -9.866 1.00 1.00 O ATOM 667 NE2 GLN A 44 -15.725 9.218 -9.738 1.00 1.00 N ATOM 0 H GLN A 44 -11.096 9.890 -8.324 1.00 1.00 H new ATOM 0 HA GLN A 44 -12.813 11.203 -6.302 1.00 1.00 H new ATOM 0 HB2 GLN A 44 -13.750 8.850 -7.979 1.00 1.00 H new ATOM 0 HB3 GLN A 44 -14.710 9.926 -6.984 1.00 1.00 H new ATOM 0 HG2 GLN A 44 -14.069 11.841 -8.539 1.00 1.00 H new ATOM 0 HG3 GLN A 44 -13.260 10.678 -9.571 1.00 1.00 H new ATOM 0 HE21 GLN A 44 -15.089 8.472 -9.455 1.00 1.00 H new ATOM 0 HE22 GLN A 44 -16.612 8.989 -10.188 1.00 1.00 H new ATOM 676 N PHE A 45 -10.871 9.324 -5.530 1.00 1.00 N ATOM 677 CA PHE A 45 -10.291 8.312 -4.656 1.00 1.00 C ATOM 678 C PHE A 45 -10.886 8.377 -3.260 1.00 1.00 C ATOM 679 O PHE A 45 -11.153 7.343 -2.650 1.00 1.00 O ATOM 680 CB PHE A 45 -8.775 8.493 -4.579 1.00 1.00 C ATOM 681 CG PHE A 45 -8.091 7.261 -5.125 1.00 1.00 C ATOM 682 CD1 PHE A 45 -8.115 7.002 -6.500 1.00 1.00 C ATOM 683 CD2 PHE A 45 -7.433 6.381 -4.256 1.00 1.00 C ATOM 684 CE1 PHE A 45 -7.479 5.862 -7.008 1.00 1.00 C ATOM 685 CE2 PHE A 45 -6.799 5.242 -4.765 1.00 1.00 C ATOM 686 CZ PHE A 45 -6.820 4.982 -6.140 1.00 1.00 C ATOM 0 H PHE A 45 -10.255 10.111 -5.734 1.00 1.00 H new ATOM 0 HA PHE A 45 -10.522 7.334 -5.079 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -8.474 9.372 -5.149 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -8.471 8.663 -3.546 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -8.623 7.680 -7.169 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -7.415 6.581 -3.195 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -7.497 5.662 -8.069 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -6.293 4.562 -4.096 1.00 1.00 H new ATOM 0 HZ PHE A 45 -6.329 4.104 -6.532 1.00 1.00 H new ATOM 696 N PRO A 46 -11.096 9.551 -2.734 1.00 1.00 N ATOM 697 CA PRO A 46 -11.671 9.689 -1.374 1.00 1.00 C ATOM 698 C PRO A 46 -13.110 9.188 -1.327 1.00 1.00 C ATOM 699 O PRO A 46 -14.004 9.768 -1.938 1.00 1.00 O ATOM 700 CB PRO A 46 -11.611 11.196 -1.084 1.00 1.00 C ATOM 701 CG PRO A 46 -10.781 11.807 -2.168 1.00 1.00 C ATOM 702 CD PRO A 46 -10.814 10.847 -3.353 1.00 1.00 C ATOM 0 HA PRO A 46 -11.125 9.099 -0.638 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -12.612 11.628 -1.072 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -11.170 11.385 -0.105 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -11.175 12.783 -2.452 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -9.757 11.964 -1.828 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -11.584 11.124 -4.073 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -9.865 10.838 -3.889 1.00 1.00 H new ATOM 710 N ILE A 47 -13.309 8.117 -0.571 1.00 1.00 N ATOM 711 CA ILE A 47 -14.632 7.513 -0.401 1.00 1.00 C ATOM 712 C ILE A 47 -14.589 6.510 0.745 1.00 1.00 C ATOM 713 O ILE A 47 -13.540 6.296 1.353 1.00 1.00 O ATOM 714 CB ILE A 47 -15.071 6.778 -1.683 1.00 1.00 C ATOM 715 CG1 ILE A 47 -13.891 5.971 -2.227 1.00 1.00 C ATOM 716 CG2 ILE A 47 -15.543 7.761 -2.763 1.00 1.00 C ATOM 717 CD1 ILE A 47 -14.409 4.703 -2.910 1.00 1.00 C ATOM 0 H ILE A 47 -12.566 7.642 -0.059 1.00 1.00 H new ATOM 0 HA ILE A 47 -15.345 8.309 -0.186 1.00 1.00 H new ATOM 0 HB ILE A 47 -15.904 6.122 -1.430 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -13.322 6.572 -2.936 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -13.212 5.708 -1.416 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -15.845 7.207 -3.652 1.00 1.00 H new ATOM 0 HG22 ILE A 47 -16.391 8.334 -2.388 1.00 1.00 H new ATOM 0 HG23 ILE A 47 -14.729 8.440 -3.017 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -13.567 4.129 -3.297 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -14.959 4.099 -2.188 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -15.070 4.977 -3.732 1.00 1.00 H new ATOM 729 N ASN A 48 -15.728 5.890 1.030 1.00 1.00 N ATOM 730 CA ASN A 48 -15.794 4.902 2.100 1.00 1.00 C ATOM 731 C ASN A 48 -14.791 3.784 1.838 1.00 1.00 C ATOM 732 O ASN A 48 -15.127 2.768 1.229 1.00 1.00 O ATOM 733 CB ASN A 48 -17.207 4.323 2.185 1.00 1.00 C ATOM 734 CG ASN A 48 -17.652 3.835 0.811 1.00 1.00 C ATOM 735 OD1 ASN A 48 -16.838 3.733 -0.107 1.00 1.00 O ATOM 736 ND2 ASN A 48 -18.905 3.531 0.611 1.00 1.00 N ATOM 0 H ASN A 48 -16.609 6.051 0.542 1.00 1.00 H new ATOM 0 HA ASN A 48 -15.548 5.385 3.046 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -17.229 3.499 2.898 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -17.898 5.081 2.553 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -19.211 3.208 -0.307 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -19.578 3.616 1.373 1.00 1.00 H new ATOM 743 N ILE A 49 -13.558 3.984 2.293 1.00 1.00 N ATOM 744 CA ILE A 49 -12.506 2.993 2.093 1.00 1.00 C ATOM 745 C ILE A 49 -12.950 1.618 2.579 1.00 1.00 C ATOM 746 O ILE A 49 -13.055 0.683 1.791 1.00 1.00 O ATOM 747 CB ILE A 49 -11.242 3.419 2.840 1.00 1.00 C ATOM 748 CG1 ILE A 49 -10.616 4.621 2.123 1.00 1.00 C ATOM 749 CG2 ILE A 49 -10.245 2.257 2.860 1.00 1.00 C ATOM 750 CD1 ILE A 49 -9.491 5.212 2.973 1.00 1.00 C ATOM 0 H ILE A 49 -13.264 4.819 2.800 1.00 1.00 H new ATOM 0 HA ILE A 49 -12.296 2.930 1.025 1.00 1.00 H new ATOM 0 HB ILE A 49 -11.495 3.694 3.864 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -10.226 4.313 1.153 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -11.377 5.379 1.935 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -9.344 2.560 3.392 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -10.694 1.401 3.364 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -9.987 1.981 1.837 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -9.053 6.065 2.455 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -9.893 5.538 3.933 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -8.724 4.455 3.139 1.00 1.00 H new ATOM 762 N VAL A 50 -13.199 1.501 3.876 1.00 1.00 N ATOM 763 CA VAL A 50 -13.621 0.229 4.454 1.00 1.00 C ATOM 764 C VAL A 50 -14.554 -0.527 3.506 1.00 1.00 C ATOM 765 O VAL A 50 -14.414 -1.735 3.316 1.00 1.00 O ATOM 766 CB VAL A 50 -14.336 0.475 5.783 1.00 1.00 C ATOM 767 CG1 VAL A 50 -15.159 -0.760 6.157 1.00 1.00 C ATOM 768 CG2 VAL A 50 -13.299 0.746 6.875 1.00 1.00 C ATOM 0 H VAL A 50 -13.117 2.266 4.546 1.00 1.00 H new ATOM 0 HA VAL A 50 -12.731 -0.379 4.619 1.00 1.00 H new ATOM 0 HB VAL A 50 -14.998 1.336 5.686 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -15.669 -0.584 7.104 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -15.897 -0.955 5.379 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -14.498 -1.622 6.255 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -13.807 0.922 7.823 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -12.638 -0.116 6.971 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -12.712 1.625 6.609 1.00 1.00 H new ATOM 778 N ALA A 51 -15.515 0.189 2.933 1.00 1.00 N ATOM 779 CA ALA A 51 -16.485 -0.422 2.026 1.00 1.00 C ATOM 780 C ALA A 51 -15.825 -1.038 0.789 1.00 1.00 C ATOM 781 O ALA A 51 -16.337 -2.013 0.239 1.00 1.00 O ATOM 782 CB ALA A 51 -17.506 0.623 1.582 1.00 1.00 C ATOM 0 H ALA A 51 -15.645 1.190 3.079 1.00 1.00 H new ATOM 0 HA ALA A 51 -16.974 -1.226 2.575 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -18.227 0.163 0.906 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -18.027 1.017 2.455 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -16.994 1.436 1.068 1.00 1.00 H new ATOM 788 N VAL A 52 -14.705 -0.476 0.340 1.00 1.00 N ATOM 789 CA VAL A 52 -14.039 -1.016 -0.844 1.00 1.00 C ATOM 790 C VAL A 52 -13.097 -2.153 -0.461 1.00 1.00 C ATOM 791 O VAL A 52 -13.037 -3.175 -1.143 1.00 1.00 O ATOM 792 CB VAL A 52 -13.288 0.090 -1.602 1.00 1.00 C ATOM 793 CG1 VAL A 52 -13.986 1.427 -1.366 1.00 1.00 C ATOM 794 CG2 VAL A 52 -11.830 0.194 -1.133 1.00 1.00 C ATOM 0 H VAL A 52 -14.249 0.332 0.764 1.00 1.00 H new ATOM 0 HA VAL A 52 -14.802 -1.419 -1.510 1.00 1.00 H new ATOM 0 HB VAL A 52 -13.292 -0.159 -2.663 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -13.456 2.214 -1.902 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -15.013 1.370 -1.727 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -13.988 1.653 -0.300 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -11.325 0.985 -1.688 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -11.806 0.425 -0.068 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -11.322 -0.754 -1.310 1.00 1.00 H new ATOM 804 N LYS A 53 -12.371 -1.976 0.635 1.00 1.00 N ATOM 805 CA LYS A 53 -11.447 -3.001 1.098 1.00 1.00 C ATOM 806 C LYS A 53 -12.145 -4.355 1.138 1.00 1.00 C ATOM 807 O LYS A 53 -11.499 -5.402 1.139 1.00 1.00 O ATOM 808 CB LYS A 53 -10.942 -2.642 2.492 1.00 1.00 C ATOM 809 CG LYS A 53 -10.455 -1.191 2.490 1.00 1.00 C ATOM 810 CD LYS A 53 -9.232 -1.048 3.397 1.00 1.00 C ATOM 811 CE LYS A 53 -9.622 -1.370 4.843 1.00 1.00 C ATOM 812 NZ LYS A 53 -8.901 -2.594 5.289 1.00 1.00 N ATOM 0 H LYS A 53 -12.404 -1.138 1.216 1.00 1.00 H new ATOM 0 HA LYS A 53 -10.604 -3.057 0.410 1.00 1.00 H new ATOM 0 HB2 LYS A 53 -11.738 -2.770 3.225 1.00 1.00 H new ATOM 0 HB3 LYS A 53 -10.131 -3.310 2.782 1.00 1.00 H new ATOM 0 HG2 LYS A 53 -10.203 -0.885 1.475 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -11.252 -0.531 2.833 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -8.440 -1.720 3.065 1.00 1.00 H new ATOM 0 HD3 LYS A 53 -8.837 -0.034 3.334 1.00 1.00 H new ATOM 0 HE2 LYS A 53 -9.374 -0.531 5.493 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -10.699 -1.522 4.916 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -8.811 -2.586 6.325 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 -9.433 -3.437 4.994 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 -7.954 -2.615 4.860 1.00 1.00 H new ATOM 969 N LEU A 63 -3.479 -8.712 2.384 1.00 1.00 N ATOM 970 CA LEU A 63 -3.374 -7.799 1.249 1.00 1.00 C ATOM 971 C LEU A 63 -4.313 -6.608 1.426 1.00 1.00 C ATOM 972 O LEU A 63 -4.376 -5.722 0.575 1.00 1.00 O ATOM 973 CB LEU A 63 -3.718 -8.539 -0.047 1.00 1.00 C ATOM 974 CG LEU A 63 -2.508 -8.524 -0.988 1.00 1.00 C ATOM 975 CD1 LEU A 63 -2.828 -9.335 -2.244 1.00 1.00 C ATOM 976 CD2 LEU A 63 -2.173 -7.083 -1.389 1.00 1.00 C ATOM 0 HA LEU A 63 -2.350 -7.430 1.196 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -4.005 -9.567 0.175 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -4.573 -8.067 -0.531 1.00 1.00 H new ATOM 0 HG LEU A 63 -1.653 -8.962 -0.474 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.968 -9.324 -2.913 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -3.058 -10.363 -1.964 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -3.687 -8.896 -2.751 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -1.312 -7.082 -2.058 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -3.028 -6.639 -1.898 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.940 -6.502 -0.497 1.00 1.00 H new ATOM 988 N VAL A 64 -5.038 -6.594 2.539 1.00 1.00 N ATOM 989 CA VAL A 64 -5.967 -5.507 2.822 1.00 1.00 C ATOM 990 C VAL A 64 -5.263 -4.387 3.580 1.00 1.00 C ATOM 991 O VAL A 64 -5.647 -3.221 3.481 1.00 1.00 O ATOM 992 CB VAL A 64 -7.144 -6.027 3.648 1.00 1.00 C ATOM 993 CG1 VAL A 64 -7.919 -4.846 4.232 1.00 1.00 C ATOM 994 CG2 VAL A 64 -8.069 -6.851 2.752 1.00 1.00 C ATOM 0 H VAL A 64 -5.001 -7.319 3.256 1.00 1.00 H new ATOM 0 HA VAL A 64 -6.337 -5.113 1.875 1.00 1.00 H new ATOM 0 HB VAL A 64 -6.771 -6.652 4.459 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -8.758 -5.217 4.821 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -7.260 -4.258 4.870 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -8.293 -4.220 3.422 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -8.909 -7.222 3.340 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -8.442 -6.225 1.941 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -7.517 -7.693 2.336 1.00 1.00 H new ATOM 1004 N GLU A 65 -4.226 -4.749 4.328 1.00 1.00 N ATOM 1005 CA GLU A 65 -3.469 -3.763 5.089 1.00 1.00 C ATOM 1006 C GLU A 65 -2.890 -2.699 4.156 1.00 1.00 C ATOM 1007 O GLU A 65 -3.261 -1.529 4.245 1.00 1.00 O ATOM 1008 CB GLU A 65 -2.339 -4.443 5.869 1.00 1.00 C ATOM 1009 CG GLU A 65 -2.741 -4.602 7.339 1.00 1.00 C ATOM 1010 CD GLU A 65 -3.976 -5.491 7.459 1.00 1.00 C ATOM 1011 OE1 GLU A 65 -4.825 -5.420 6.586 1.00 1.00 O ATOM 1012 OE2 GLU A 65 -4.055 -6.225 8.430 1.00 1.00 O ATOM 0 H GLU A 65 -3.893 -5.708 4.423 1.00 1.00 H new ATOM 0 HA GLU A 65 -4.145 -3.282 5.795 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -2.122 -5.419 5.435 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -1.427 -3.851 5.795 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -1.916 -5.036 7.903 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -2.945 -3.624 7.775 1.00 1.00 H new ATOM 1019 N PRO A 66 -2.003 -3.071 3.262 1.00 1.00 N ATOM 1020 CA PRO A 66 -1.394 -2.105 2.305 1.00 1.00 C ATOM 1021 C PRO A 66 -2.458 -1.362 1.504 1.00 1.00 C ATOM 1022 O PRO A 66 -2.351 -0.157 1.276 1.00 1.00 O ATOM 1023 CB PRO A 66 -0.519 -2.969 1.385 1.00 1.00 C ATOM 1024 CG PRO A 66 -0.916 -4.385 1.642 1.00 1.00 C ATOM 1025 CD PRO A 66 -1.482 -4.433 3.058 1.00 1.00 C ATOM 0 HA PRO A 66 -0.822 -1.333 2.819 1.00 1.00 H new ATOM 0 HB2 PRO A 66 -0.675 -2.705 0.339 1.00 1.00 H new ATOM 0 HB3 PRO A 66 0.539 -2.817 1.598 1.00 1.00 H new ATOM 0 HG2 PRO A 66 -1.660 -4.716 0.917 1.00 1.00 H new ATOM 0 HG3 PRO A 66 -0.058 -5.051 1.546 1.00 1.00 H new ATOM 0 HD2 PRO A 66 -2.268 -5.182 3.152 1.00 1.00 H new ATOM 0 HD3 PRO A 66 -0.714 -4.684 3.790 1.00 1.00 H new ATOM 1033 N LEU A 67 -3.489 -2.091 1.086 1.00 1.00 N ATOM 1034 CA LEU A 67 -4.574 -1.494 0.314 1.00 1.00 C ATOM 1035 C LEU A 67 -5.132 -0.273 1.038 1.00 1.00 C ATOM 1036 O LEU A 67 -5.340 0.778 0.431 1.00 1.00 O ATOM 1037 CB LEU A 67 -5.689 -2.520 0.106 1.00 1.00 C ATOM 1038 CG LEU A 67 -6.615 -2.048 -1.017 1.00 1.00 C ATOM 1039 CD1 LEU A 67 -6.204 -2.713 -2.332 1.00 1.00 C ATOM 1040 CD2 LEU A 67 -8.058 -2.430 -0.682 1.00 1.00 C ATOM 0 H LEU A 67 -3.596 -3.089 1.267 1.00 1.00 H new ATOM 0 HA LEU A 67 -4.182 -1.182 -0.654 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -5.262 -3.491 -0.145 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -6.255 -2.649 1.028 1.00 1.00 H new ATOM 0 HG LEU A 67 -6.539 -0.965 -1.119 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -6.864 -2.377 -3.132 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -5.176 -2.441 -2.571 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -6.279 -3.796 -2.231 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -8.718 -2.094 -1.482 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -8.133 -3.513 -0.580 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -8.352 -1.956 0.254 1.00 1.00 H new ATOM 1052 N CYS A 68 -5.368 -0.418 2.338 1.00 1.00 N ATOM 1053 CA CYS A 68 -5.898 0.683 3.134 1.00 1.00 C ATOM 1054 C CYS A 68 -4.852 1.782 3.286 1.00 1.00 C ATOM 1055 O CYS A 68 -5.178 2.922 3.616 1.00 1.00 O ATOM 1056 CB CYS A 68 -6.308 0.175 4.519 1.00 1.00 C ATOM 1057 SG CYS A 68 -7.451 1.356 5.277 1.00 1.00 S ATOM 0 H CYS A 68 -5.202 -1.279 2.859 1.00 1.00 H new ATOM 0 HA CYS A 68 -6.770 1.091 2.623 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -6.781 -0.803 4.434 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -5.427 0.049 5.148 1.00 1.00 H new ATOM 0 HG CYS A 68 -7.112 2.565 4.941 1.00 1.00 H new ATOM 1063 N ARG A 69 -3.595 1.428 3.039 1.00 1.00 N ATOM 1064 CA ARG A 69 -2.506 2.391 3.148 1.00 1.00 C ATOM 1065 C ARG A 69 -2.467 3.296 1.922 1.00 1.00 C ATOM 1066 O ARG A 69 -2.362 4.516 2.042 1.00 1.00 O ATOM 1067 CB ARG A 69 -1.173 1.653 3.281 1.00 1.00 C ATOM 1068 CG ARG A 69 -0.129 2.590 3.889 1.00 1.00 C ATOM 1069 CD ARG A 69 1.236 2.317 3.257 1.00 1.00 C ATOM 1070 NE ARG A 69 1.409 0.887 3.029 1.00 1.00 N ATOM 1071 CZ ARG A 69 1.578 0.044 4.042 1.00 1.00 C ATOM 1072 NH1 ARG A 69 1.597 0.494 5.267 1.00 1.00 N ATOM 1073 NH2 ARG A 69 1.727 -1.231 3.813 1.00 1.00 N ATOM 0 H ARG A 69 -3.307 0.489 2.764 1.00 1.00 H new ATOM 0 HA ARG A 69 -2.674 3.005 4.033 1.00 1.00 H new ATOM 0 HB2 ARG A 69 -1.295 0.771 3.909 1.00 1.00 H new ATOM 0 HB3 ARG A 69 -0.839 1.305 2.304 1.00 1.00 H new ATOM 0 HG2 ARG A 69 -0.417 3.628 3.723 1.00 1.00 H new ATOM 0 HG3 ARG A 69 -0.078 2.442 4.968 1.00 1.00 H new ATOM 0 HD2 ARG A 69 1.322 2.856 2.314 1.00 1.00 H new ATOM 0 HD3 ARG A 69 2.027 2.687 3.909 1.00 1.00 H new ATOM 0 HE ARG A 69 1.400 0.527 2.075 1.00 1.00 H new ATOM 0 HH11 ARG A 69 1.482 1.492 5.446 1.00 1.00 H new ATOM 0 HH12 ARG A 69 1.727 -0.152 6.046 1.00 1.00 H new ATOM 0 HH21 ARG A 69 1.714 -1.582 2.855 1.00 1.00 H new ATOM 0 HH22 ARG A 69 1.857 -1.877 4.591 1.00 1.00 H new ATOM 1087 N ARG A 70 -2.554 2.688 0.744 1.00 1.00 N ATOM 1088 CA ARG A 70 -2.527 3.448 -0.500 1.00 1.00 C ATOM 1089 C ARG A 70 -3.772 4.320 -0.622 1.00 1.00 C ATOM 1090 O ARG A 70 -3.674 5.544 -0.705 1.00 1.00 O ATOM 1091 CB ARG A 70 -2.444 2.499 -1.701 1.00 1.00 C ATOM 1092 CG ARG A 70 -1.343 1.450 -1.488 1.00 1.00 C ATOM 1093 CD ARG A 70 -0.081 2.099 -0.911 1.00 1.00 C ATOM 1094 NE ARG A 70 1.047 1.181 -1.022 1.00 1.00 N ATOM 1095 CZ ARG A 70 1.103 0.071 -0.295 1.00 1.00 C ATOM 1096 NH1 ARG A 70 0.149 -0.201 0.553 1.00 1.00 N ATOM 1097 NH2 ARG A 70 2.110 -0.748 -0.429 1.00 1.00 N ATOM 0 H ARG A 70 -2.643 1.679 0.624 1.00 1.00 H new ATOM 0 HA ARG A 70 -1.646 4.090 -0.488 1.00 1.00 H new ATOM 0 HB2 ARG A 70 -3.403 2.002 -1.846 1.00 1.00 H new ATOM 0 HB3 ARG A 70 -2.240 3.069 -2.608 1.00 1.00 H new ATOM 0 HG2 ARG A 70 -1.700 0.673 -0.812 1.00 1.00 H new ATOM 0 HG3 ARG A 70 -1.108 0.965 -2.435 1.00 1.00 H new ATOM 0 HD2 ARG A 70 0.138 3.024 -1.444 1.00 1.00 H new ATOM 0 HD3 ARG A 70 -0.243 2.364 0.134 1.00 1.00 H new ATOM 0 HE ARG A 70 1.806 1.395 -1.669 1.00 1.00 H new ATOM 0 HH11 ARG A 70 -0.639 0.439 0.657 1.00 1.00 H new ATOM 0 HH12 ARG A 70 0.191 -1.053 1.112 1.00 1.00 H new ATOM 0 HH21 ARG A 70 2.855 -0.536 -1.093 1.00 1.00 H new ATOM 0 HH22 ARG A 70 2.152 -1.600 0.130 1.00 1.00 H new ATOM 1111 N LEU A 71 -4.942 3.690 -0.637 1.00 1.00 N ATOM 1112 CA LEU A 71 -6.187 4.439 -0.752 1.00 1.00 C ATOM 1113 C LEU A 71 -6.197 5.592 0.246 1.00 1.00 C ATOM 1114 O LEU A 71 -6.512 6.727 -0.105 1.00 1.00 O ATOM 1115 CB LEU A 71 -7.383 3.515 -0.499 1.00 1.00 C ATOM 1116 CG LEU A 71 -7.432 2.429 -1.580 1.00 1.00 C ATOM 1117 CD1 LEU A 71 -8.207 1.222 -1.050 1.00 1.00 C ATOM 1118 CD2 LEU A 71 -8.129 2.958 -2.842 1.00 1.00 C ATOM 0 H LEU A 71 -5.054 2.678 -0.572 1.00 1.00 H new ATOM 0 HA LEU A 71 -6.262 4.844 -1.761 1.00 1.00 H new ATOM 0 HB2 LEU A 71 -7.300 3.057 0.487 1.00 1.00 H new ATOM 0 HB3 LEU A 71 -8.308 4.091 -0.506 1.00 1.00 H new ATOM 0 HG LEU A 71 -6.412 2.140 -1.833 1.00 1.00 H new ATOM 0 HD11 LEU A 71 -8.244 0.448 -1.817 1.00 1.00 H new ATOM 0 HD12 LEU A 71 -7.709 0.831 -0.163 1.00 1.00 H new ATOM 0 HD13 LEU A 71 -9.222 1.526 -0.792 1.00 1.00 H new ATOM 0 HD21 LEU A 71 -8.155 2.174 -3.599 1.00 1.00 H new ATOM 0 HD22 LEU A 71 -9.147 3.259 -2.596 1.00 1.00 H new ATOM 0 HD23 LEU A 71 -7.580 3.817 -3.228 1.00 1.00 H new ATOM 1130 N ASN A 72 -5.842 5.293 1.492 1.00 1.00 N ATOM 1131 CA ASN A 72 -5.807 6.315 2.534 1.00 1.00 C ATOM 1132 C ASN A 72 -4.956 7.501 2.095 1.00 1.00 C ATOM 1133 O ASN A 72 -5.288 8.652 2.376 1.00 1.00 O ATOM 1134 CB ASN A 72 -5.237 5.726 3.824 1.00 1.00 C ATOM 1135 CG ASN A 72 -4.925 6.844 4.814 1.00 1.00 C ATOM 1136 OD1 ASN A 72 -5.725 7.765 4.983 1.00 1.00 O ATOM 1137 ND2 ASN A 72 -3.804 6.822 5.479 1.00 1.00 N ATOM 0 H ASN A 72 -5.576 4.359 1.804 1.00 1.00 H new ATOM 0 HA ASN A 72 -6.826 6.660 2.711 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -5.952 5.030 4.263 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.332 5.159 3.606 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -3.589 7.568 6.140 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -3.142 6.059 5.338 1.00 1.00 H new ATOM 1144 N THR A 73 -3.858 7.215 1.405 1.00 1.00 N ATOM 1145 CA THR A 73 -2.971 8.271 0.937 1.00 1.00 C ATOM 1146 C THR A 73 -3.602 9.023 -0.229 1.00 1.00 C ATOM 1147 O THR A 73 -3.894 10.215 -0.127 1.00 1.00 O ATOM 1148 CB THR A 73 -1.632 7.680 0.497 1.00 1.00 C ATOM 1149 OG1 THR A 73 -1.123 6.844 1.527 1.00 1.00 O ATOM 1150 CG2 THR A 73 -0.642 8.813 0.218 1.00 1.00 C ATOM 0 H THR A 73 -3.563 6.270 1.159 1.00 1.00 H new ATOM 0 HA THR A 73 -2.806 8.967 1.760 1.00 1.00 H new ATOM 0 HB THR A 73 -1.773 7.092 -0.410 1.00 1.00 H new ATOM 0 HG1 THR A 73 -1.594 5.985 1.514 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.313 8.392 -0.096 1.00 1.00 H new ATOM 0 HG22 THR A 73 -1.034 9.452 -0.573 1.00 1.00 H new ATOM 0 HG23 THR A 73 -0.499 9.402 1.124 1.00 1.00 H new ATOM 1158 N LEU A 74 -3.813 8.319 -1.336 1.00 1.00 N ATOM 1159 CA LEU A 74 -4.412 8.934 -2.513 1.00 1.00 C ATOM 1160 C LEU A 74 -5.654 9.727 -2.123 1.00 1.00 C ATOM 1161 O LEU A 74 -5.909 10.803 -2.663 1.00 1.00 O ATOM 1162 CB LEU A 74 -4.788 7.857 -3.533 1.00 1.00 C ATOM 1163 CG LEU A 74 -3.574 7.514 -4.404 1.00 1.00 C ATOM 1164 CD1 LEU A 74 -3.879 6.264 -5.232 1.00 1.00 C ATOM 1165 CD2 LEU A 74 -3.251 8.678 -5.351 1.00 1.00 C ATOM 0 H LEU A 74 -3.580 7.332 -1.442 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.684 9.613 -2.958 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -5.140 6.963 -3.018 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -5.608 8.208 -4.159 1.00 1.00 H new ATOM 0 HG LEU A 74 -2.716 7.333 -3.756 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -3.017 6.019 -5.852 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -4.095 5.430 -4.565 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -4.743 6.452 -5.870 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -2.387 8.420 -5.963 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -4.108 8.871 -5.996 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -3.028 9.571 -4.767 1.00 1.00 H new ATOM 1177 N ASN A 75 -6.423 9.189 -1.181 1.00 1.00 N ATOM 1178 CA ASN A 75 -7.635 9.860 -0.725 1.00 1.00 C ATOM 1179 C ASN A 75 -7.296 11.228 -0.141 1.00 1.00 C ATOM 1180 O ASN A 75 -8.119 12.143 -0.156 1.00 1.00 O ATOM 1181 CB ASN A 75 -8.338 9.011 0.336 1.00 1.00 C ATOM 1182 CG ASN A 75 -8.906 7.748 -0.296 1.00 1.00 C ATOM 1183 OD1 ASN A 75 -8.748 7.527 -1.498 1.00 1.00 O ATOM 1184 ND2 ASN A 75 -9.558 6.895 0.446 1.00 1.00 N ATOM 0 H ASN A 75 -6.231 8.298 -0.722 1.00 1.00 H new ATOM 0 HA ASN A 75 -8.299 9.992 -1.579 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -7.635 8.747 1.126 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -9.139 9.586 0.801 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -9.938 6.044 0.031 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -9.688 7.079 1.441 1.00 1.00 H new ATOM 1191 N LYS A 76 -6.079 11.356 0.375 1.00 1.00 N ATOM 1192 CA LYS A 76 -5.637 12.612 0.963 1.00 1.00 C ATOM 1193 C LYS A 76 -5.007 13.509 -0.097 1.00 1.00 C ATOM 1194 O LYS A 76 -5.231 14.720 -0.112 1.00 1.00 O ATOM 1195 CB LYS A 76 -4.616 12.332 2.067 1.00 1.00 C ATOM 1196 CG LYS A 76 -5.249 11.442 3.137 1.00 1.00 C ATOM 1197 CD LYS A 76 -5.549 12.276 4.386 1.00 1.00 C ATOM 1198 CE LYS A 76 -6.331 11.427 5.390 1.00 1.00 C ATOM 1199 NZ LYS A 76 -5.497 10.266 5.816 1.00 1.00 N ATOM 0 H LYS A 76 -5.385 10.609 0.398 1.00 1.00 H new ATOM 0 HA LYS A 76 -6.503 13.122 1.384 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -3.736 11.844 1.647 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -4.279 13.269 2.511 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -6.167 10.995 2.756 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -4.576 10.622 3.388 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -4.619 12.625 4.835 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -6.125 13.161 4.116 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -6.605 12.029 6.256 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -7.260 11.076 4.940 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -5.530 10.176 6.852 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -5.865 9.396 5.381 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -4.514 10.415 5.512 1.00 1.00 H new ATOM 1213 N CYS A 77 -4.218 12.908 -0.982 1.00 1.00 N ATOM 1214 CA CYS A 77 -3.558 13.661 -2.041 1.00 1.00 C ATOM 1215 C CYS A 77 -4.538 13.982 -3.165 1.00 1.00 C ATOM 1216 O CYS A 77 -4.324 14.916 -3.940 1.00 1.00 O ATOM 1217 CB CYS A 77 -2.385 12.855 -2.601 1.00 1.00 C ATOM 1218 SG CYS A 77 -1.918 13.512 -4.221 1.00 1.00 S ATOM 0 H CYS A 77 -4.021 11.907 -0.987 1.00 1.00 H new ATOM 0 HA CYS A 77 -3.190 14.596 -1.619 1.00 1.00 H new ATOM 0 HB2 CYS A 77 -1.537 12.905 -1.918 1.00 1.00 H new ATOM 0 HB3 CYS A 77 -2.661 11.804 -2.689 1.00 1.00 H new ATOM 0 HG CYS A 77 -2.759 14.439 -4.572 1.00 1.00 H new ATOM 1224 N ALA A 78 -5.610 13.204 -3.251 1.00 1.00 N ATOM 1225 CA ALA A 78 -6.615 13.417 -4.287 1.00 1.00 C ATOM 1226 C ALA A 78 -7.232 14.806 -4.158 1.00 1.00 C ATOM 1227 O ALA A 78 -7.813 15.328 -5.109 1.00 1.00 O ATOM 1228 CB ALA A 78 -7.712 12.356 -4.177 1.00 1.00 C ATOM 0 H ALA A 78 -5.806 12.426 -2.622 1.00 1.00 H new ATOM 0 HA ALA A 78 -6.129 13.337 -5.260 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -8.458 12.522 -4.954 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -7.274 11.366 -4.301 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -8.186 12.423 -3.198 1.00 1.00 H new