USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 318 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 59 CYS SG : rot 154:sc= 0.714 USER MOD Set 1.2: A 62 CYS SG : rot -46:sc= -1.96! USER MOD Set 1.3: A 80 CYS SG : rot 160:sc= -0.166 USER MOD Set 1.4: A 82 HIS : no HD1:sc= -0.0864 X(o=-1.4,f=-1.3) USER MOD Set 1.5: A 83 CYS SG : rot 80:sc= 0.124 USER MOD Single : A 38 THR OG1 : rot 23:sc= 0.152 USER MOD Single : A 55 SER OG : rot 178:sc= 1 USER MOD Single : A 68 GLN : amide:sc= -0.504 X(o=-0.5,f=-0.04) USER MOD Single : A 84 GLN : amide:sc= -0.576 K(o=-0.58,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 38 12.885 -13.579 -33.338 1.00 0.00 N ATOM 235 CA THR A 38 14.059 -13.622 -34.216 1.00 0.00 C ATOM 236 C THR A 38 14.870 -14.913 -33.962 1.00 0.00 C ATOM 237 O THR A 38 15.401 -15.529 -34.898 1.00 0.00 O ATOM 238 CB THR A 38 14.952 -12.369 -33.995 1.00 0.00 C ATOM 239 OG1 THR A 38 14.154 -11.184 -34.119 1.00 0.00 O ATOM 240 CG2 THR A 38 16.112 -12.311 -34.998 1.00 0.00 C ATOM 0 HA THR A 38 13.717 -13.622 -35.251 1.00 0.00 H new ATOM 0 HB THR A 38 15.378 -12.435 -32.994 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.214 -11.403 -33.948 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.712 -11.421 -34.810 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.735 -13.199 -34.886 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.714 -12.273 -36.012 1.00 0.00 H new ATOM 248 N ILE A 39 14.923 -15.319 -32.682 1.00 0.00 N ATOM 249 CA ILE A 39 15.697 -16.496 -32.241 1.00 0.00 C ATOM 250 C ILE A 39 15.019 -17.783 -32.748 1.00 0.00 C ATOM 251 O ILE A 39 15.689 -18.665 -33.288 1.00 0.00 O ATOM 252 CB ILE A 39 15.884 -16.569 -30.662 1.00 0.00 C ATOM 253 CG1 ILE A 39 16.662 -15.327 -30.091 1.00 0.00 C ATOM 254 CG2 ILE A 39 16.594 -17.887 -30.242 1.00 0.00 C ATOM 255 CD1 ILE A 39 15.885 -14.019 -30.050 1.00 0.00 C ATOM 0 H ILE A 39 14.433 -14.843 -31.925 1.00 0.00 H new ATOM 0 HA ILE A 39 16.694 -16.397 -32.670 1.00 0.00 H new ATOM 0 HB ILE A 39 14.883 -16.554 -30.231 1.00 0.00 H new ATOM 0 HG12 ILE A 39 16.992 -15.563 -29.079 1.00 0.00 H new ATOM 0 HG13 ILE A 39 17.559 -15.176 -30.692 1.00 0.00 H new ATOM 0 HG21 ILE A 39 16.708 -17.909 -29.158 1.00 0.00 H new ATOM 0 HG22 ILE A 39 15.996 -18.740 -30.561 1.00 0.00 H new ATOM 0 HG23 ILE A 39 17.576 -17.937 -30.711 1.00 0.00 H new ATOM 0 HD11 ILE A 39 16.518 -13.232 -29.639 1.00 0.00 H new ATOM 0 HD12 ILE A 39 15.577 -13.747 -31.060 1.00 0.00 H new ATOM 0 HD13 ILE A 39 15.002 -14.140 -29.422 1.00 0.00 H new ATOM 267 N GLU A 40 13.673 -17.832 -32.638 1.00 0.00 N ATOM 268 CA GLU A 40 12.884 -19.053 -32.944 1.00 0.00 C ATOM 269 C GLU A 40 12.965 -19.394 -34.432 1.00 0.00 C ATOM 270 O GLU A 40 12.876 -20.562 -34.801 1.00 0.00 O ATOM 271 CB GLU A 40 11.406 -18.930 -32.447 1.00 0.00 C ATOM 272 CG GLU A 40 10.539 -17.805 -33.076 1.00 0.00 C ATOM 273 CD GLU A 40 9.995 -18.058 -34.504 1.00 0.00 C ATOM 274 OE1 GLU A 40 9.733 -19.216 -34.870 1.00 0.00 O ATOM 275 OE2 GLU A 40 9.815 -17.091 -35.266 1.00 0.00 O ATOM 0 H GLU A 40 13.106 -17.039 -32.339 1.00 0.00 H new ATOM 0 HA GLU A 40 13.326 -19.883 -32.393 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.908 -19.882 -32.628 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.424 -18.780 -31.368 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.690 -17.621 -32.417 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.131 -16.890 -33.095 1.00 0.00 H new ATOM 282 N ASP A 41 13.133 -18.353 -35.264 1.00 0.00 N ATOM 283 CA ASP A 41 13.347 -18.491 -36.717 1.00 0.00 C ATOM 284 C ASP A 41 14.614 -19.313 -36.996 1.00 0.00 C ATOM 285 O ASP A 41 14.601 -20.243 -37.818 1.00 0.00 O ATOM 286 CB ASP A 41 13.448 -17.076 -37.352 1.00 0.00 C ATOM 287 CG ASP A 41 13.871 -17.064 -38.843 1.00 0.00 C ATOM 288 OD1 ASP A 41 13.005 -17.275 -39.724 1.00 0.00 O ATOM 289 OD2 ASP A 41 15.067 -16.819 -39.138 1.00 0.00 O ATOM 0 H ASP A 41 13.124 -17.384 -34.946 1.00 0.00 H new ATOM 0 HA ASP A 41 12.505 -19.021 -37.163 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.481 -16.581 -37.259 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.165 -16.486 -36.780 1.00 0.00 H new ATOM 294 N ALA A 42 15.688 -18.979 -36.267 1.00 0.00 N ATOM 295 CA ALA A 42 16.981 -19.677 -36.380 1.00 0.00 C ATOM 296 C ALA A 42 16.857 -21.139 -35.914 1.00 0.00 C ATOM 297 O ALA A 42 17.308 -22.061 -36.593 1.00 0.00 O ATOM 298 CB ALA A 42 18.057 -18.941 -35.574 1.00 0.00 C ATOM 0 H ALA A 42 15.688 -18.221 -35.585 1.00 0.00 H new ATOM 0 HA ALA A 42 17.277 -19.682 -37.429 1.00 0.00 H new ATOM 0 HB1 ALA A 42 19.006 -19.469 -35.667 1.00 0.00 H new ATOM 0 HB2 ALA A 42 18.167 -17.926 -35.956 1.00 0.00 H new ATOM 0 HB3 ALA A 42 17.764 -18.904 -34.525 1.00 0.00 H new ATOM 304 N ILE A 43 16.184 -21.339 -34.774 1.00 0.00 N ATOM 305 CA ILE A 43 16.035 -22.668 -34.157 1.00 0.00 C ATOM 306 C ILE A 43 15.008 -23.532 -34.956 1.00 0.00 C ATOM 307 O ILE A 43 15.036 -24.769 -34.893 1.00 0.00 O ATOM 308 CB ILE A 43 15.620 -22.553 -32.633 1.00 0.00 C ATOM 309 CG1 ILE A 43 16.430 -21.435 -31.887 1.00 0.00 C ATOM 310 CG2 ILE A 43 15.796 -23.904 -31.899 1.00 0.00 C ATOM 311 CD1 ILE A 43 17.940 -21.628 -31.837 1.00 0.00 C ATOM 0 H ILE A 43 15.728 -20.589 -34.253 1.00 0.00 H new ATOM 0 HA ILE A 43 17.003 -23.167 -34.195 1.00 0.00 H new ATOM 0 HB ILE A 43 14.566 -22.277 -32.618 1.00 0.00 H new ATOM 0 HG12 ILE A 43 16.221 -20.480 -32.368 1.00 0.00 H new ATOM 0 HG13 ILE A 43 16.058 -21.365 -30.865 1.00 0.00 H new ATOM 0 HG21 ILE A 43 15.503 -23.792 -30.855 1.00 0.00 H new ATOM 0 HG22 ILE A 43 15.169 -24.660 -32.373 1.00 0.00 H new ATOM 0 HG23 ILE A 43 16.840 -24.213 -31.951 1.00 0.00 H new ATOM 0 HD11 ILE A 43 18.395 -20.797 -31.298 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.171 -22.562 -31.325 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.336 -21.663 -32.852 1.00 0.00 H new ATOM 323 N ALA A 44 14.132 -22.860 -35.743 1.00 0.00 N ATOM 324 CA ALA A 44 13.140 -23.528 -36.615 1.00 0.00 C ATOM 325 C ALA A 44 13.806 -24.070 -37.891 1.00 0.00 C ATOM 326 O ALA A 44 13.425 -25.132 -38.396 1.00 0.00 O ATOM 327 CB ALA A 44 11.986 -22.573 -36.975 1.00 0.00 C ATOM 0 H ALA A 44 14.095 -21.842 -35.790 1.00 0.00 H new ATOM 0 HA ALA A 44 12.725 -24.369 -36.060 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.272 -23.090 -37.616 1.00 0.00 H new ATOM 0 HB2 ALA A 44 11.485 -22.248 -36.063 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.383 -21.705 -37.501 1.00 0.00 H new ATOM 333 N ARG A 45 14.799 -23.332 -38.415 1.00 0.00 N ATOM 334 CA ARG A 45 15.554 -23.755 -39.616 1.00 0.00 C ATOM 335 C ARG A 45 16.744 -24.659 -39.232 1.00 0.00 C ATOM 336 O ARG A 45 17.317 -25.340 -40.088 1.00 0.00 O ATOM 337 CB ARG A 45 16.030 -22.511 -40.423 1.00 0.00 C ATOM 338 CG ARG A 45 17.148 -21.682 -39.751 1.00 0.00 C ATOM 339 CD ARG A 45 17.419 -20.335 -40.452 1.00 0.00 C ATOM 340 NE ARG A 45 17.691 -20.488 -41.898 1.00 0.00 N ATOM 341 CZ ARG A 45 18.903 -20.482 -42.474 1.00 0.00 C ATOM 342 NH1 ARG A 45 20.005 -20.417 -41.738 1.00 0.00 N ATOM 343 NH2 ARG A 45 18.999 -20.561 -43.792 1.00 0.00 N ATOM 0 H ARG A 45 15.101 -22.438 -38.028 1.00 0.00 H new ATOM 0 HA ARG A 45 14.889 -24.340 -40.252 1.00 0.00 H new ATOM 0 HB2 ARG A 45 16.383 -22.844 -41.399 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.173 -21.861 -40.598 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.876 -21.494 -38.712 1.00 0.00 H new ATOM 0 HG3 ARG A 45 18.067 -22.268 -39.739 1.00 0.00 H new ATOM 0 HD2 ARG A 45 16.559 -19.680 -40.316 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.270 -19.847 -39.976 1.00 0.00 H new ATOM 0 HE ARG A 45 16.885 -20.609 -42.512 1.00 0.00 H new ATOM 0 HH11 ARG A 45 19.937 -20.371 -40.721 1.00 0.00 H new ATOM 0 HH12 ARG A 45 20.920 -20.413 -42.189 1.00 0.00 H new ATOM 0 HH21 ARG A 45 18.155 -20.626 -44.362 1.00 0.00 H new ATOM 0 HH22 ARG A 45 19.916 -20.557 -44.238 1.00 0.00 H new ATOM 357 N ALA A 46 17.105 -24.665 -37.934 1.00 0.00 N ATOM 358 CA ALA A 46 18.206 -25.492 -37.407 1.00 0.00 C ATOM 359 C ALA A 46 17.710 -26.911 -37.063 1.00 0.00 C ATOM 360 O ALA A 46 18.158 -27.894 -37.664 1.00 0.00 O ATOM 361 CB ALA A 46 18.825 -24.824 -36.172 1.00 0.00 C ATOM 0 H ALA A 46 16.642 -24.098 -37.224 1.00 0.00 H new ATOM 0 HA ALA A 46 18.971 -25.579 -38.178 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.637 -25.444 -35.792 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.215 -23.843 -36.446 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.064 -24.710 -35.400 1.00 0.00 H new ATOM 367 N ARG A 47 16.769 -27.003 -36.096 1.00 0.00 N ATOM 368 CA ARG A 47 16.249 -28.298 -35.582 1.00 0.00 C ATOM 369 C ARG A 47 14.712 -28.380 -35.658 1.00 0.00 C ATOM 370 O ARG A 47 14.136 -29.422 -35.338 1.00 0.00 O ATOM 371 CB ARG A 47 16.778 -28.540 -34.122 1.00 0.00 C ATOM 372 CG ARG A 47 16.493 -27.404 -33.088 1.00 0.00 C ATOM 373 CD ARG A 47 15.103 -27.488 -32.422 1.00 0.00 C ATOM 374 NE ARG A 47 14.996 -28.629 -31.497 1.00 0.00 N ATOM 375 CZ ARG A 47 13.872 -29.289 -31.188 1.00 0.00 C ATOM 376 NH1 ARG A 47 12.745 -29.079 -31.862 1.00 0.00 N ATOM 377 NH2 ARG A 47 13.896 -30.196 -30.229 1.00 0.00 N ATOM 0 H ARG A 47 16.348 -26.188 -35.650 1.00 0.00 H new ATOM 0 HA ARG A 47 16.623 -29.096 -36.224 1.00 0.00 H new ATOM 0 HB2 ARG A 47 16.337 -29.463 -33.747 1.00 0.00 H new ATOM 0 HB3 ARG A 47 17.856 -28.697 -34.170 1.00 0.00 H new ATOM 0 HG2 ARG A 47 17.258 -27.434 -32.312 1.00 0.00 H new ATOM 0 HG3 ARG A 47 16.586 -26.440 -33.589 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.906 -26.563 -31.880 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.337 -27.575 -33.193 1.00 0.00 H new ATOM 0 HE ARG A 47 15.857 -28.946 -31.051 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.727 -28.406 -32.628 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.899 -29.591 -31.613 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.765 -30.389 -29.731 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.046 -30.704 -29.986 1.00 0.00 H new ATOM 391 N GLY A 48 14.057 -27.279 -36.067 1.00 0.00 N ATOM 392 CA GLY A 48 12.591 -27.218 -36.116 1.00 0.00 C ATOM 393 C GLY A 48 11.966 -27.187 -34.728 1.00 0.00 C ATOM 394 O GLY A 48 11.342 -28.163 -34.300 1.00 0.00 O ATOM 0 H GLY A 48 14.522 -26.422 -36.367 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.285 -26.330 -36.669 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.212 -28.081 -36.663 1.00 0.00 H new ATOM 398 N GLU A 49 12.189 -26.083 -33.998 1.00 0.00 N ATOM 399 CA GLU A 49 11.659 -25.912 -32.632 1.00 0.00 C ATOM 400 C GLU A 49 10.136 -25.733 -32.647 1.00 0.00 C ATOM 401 O GLU A 49 9.403 -26.448 -31.952 1.00 0.00 O ATOM 402 CB GLU A 49 12.321 -24.699 -31.943 1.00 0.00 C ATOM 403 CG GLU A 49 11.914 -24.489 -30.469 1.00 0.00 C ATOM 404 CD GLU A 49 12.256 -25.691 -29.561 1.00 0.00 C ATOM 405 OE1 GLU A 49 13.410 -25.782 -29.088 1.00 0.00 O ATOM 406 OE2 GLU A 49 11.378 -26.553 -29.318 1.00 0.00 O ATOM 0 H GLU A 49 12.736 -25.290 -34.332 1.00 0.00 H new ATOM 0 HA GLU A 49 11.895 -26.815 -32.070 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.403 -24.817 -31.993 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.072 -23.799 -32.506 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.413 -23.599 -30.085 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.842 -24.299 -30.419 1.00 0.00 H new ATOM 413 N ILE A 50 9.689 -24.750 -33.434 1.00 0.00 N ATOM 414 CA ILE A 50 8.276 -24.393 -33.543 1.00 0.00 C ATOM 415 C ILE A 50 7.507 -25.489 -34.314 1.00 0.00 C ATOM 416 O ILE A 50 7.917 -25.861 -35.423 1.00 0.00 O ATOM 417 CB ILE A 50 8.109 -22.990 -34.232 1.00 0.00 C ATOM 418 CG1 ILE A 50 8.794 -21.879 -33.377 1.00 0.00 C ATOM 419 CG2 ILE A 50 6.624 -22.650 -34.491 1.00 0.00 C ATOM 420 CD1 ILE A 50 8.190 -21.643 -31.997 1.00 0.00 C ATOM 0 H ILE A 50 10.302 -24.178 -34.015 1.00 0.00 H new ATOM 0 HA ILE A 50 7.854 -24.322 -32.540 1.00 0.00 H new ATOM 0 HB ILE A 50 8.602 -23.037 -35.203 1.00 0.00 H new ATOM 0 HG12 ILE A 50 9.846 -22.137 -33.254 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.758 -20.943 -33.934 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.552 -21.673 -34.968 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.186 -23.405 -35.144 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.084 -22.632 -33.544 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.741 -20.852 -31.489 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.146 -21.348 -32.102 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.250 -22.560 -31.412 1.00 0.00 H new ATOM 492 N SER A 55 -1.466 -23.642 -33.051 1.00 0.00 N ATOM 493 CA SER A 55 -2.889 -23.701 -32.747 1.00 0.00 C ATOM 494 C SER A 55 -3.212 -25.047 -32.091 1.00 0.00 C ATOM 495 O SER A 55 -2.958 -26.101 -32.678 1.00 0.00 O ATOM 496 CB SER A 55 -3.686 -23.533 -34.050 1.00 0.00 C ATOM 497 OG SER A 55 -3.422 -22.271 -34.641 1.00 0.00 O ATOM 0 HA SER A 55 -3.161 -22.902 -32.058 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.424 -24.329 -34.747 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.752 -23.628 -33.845 1.00 0.00 H new ATOM 0 HG SER A 55 -3.914 -22.196 -35.485 1.00 0.00 H new ATOM 503 N LEU A 56 -3.741 -25.002 -30.864 1.00 0.00 N ATOM 504 CA LEU A 56 -4.084 -26.220 -30.097 1.00 0.00 C ATOM 505 C LEU A 56 -5.413 -26.832 -30.601 1.00 0.00 C ATOM 506 O LEU A 56 -6.149 -26.197 -31.362 1.00 0.00 O ATOM 507 CB LEU A 56 -4.096 -25.915 -28.557 1.00 0.00 C ATOM 508 CG LEU A 56 -4.767 -24.569 -28.101 1.00 0.00 C ATOM 509 CD1 LEU A 56 -6.288 -24.576 -28.272 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.385 -24.176 -26.660 1.00 0.00 C ATOM 0 H LEU A 56 -3.945 -24.132 -30.372 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.315 -26.974 -30.263 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.607 -26.736 -28.053 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.065 -25.916 -28.203 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.366 -23.808 -28.770 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.696 -23.621 -27.941 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.535 -24.732 -29.322 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.718 -25.380 -27.675 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.876 -23.239 -26.396 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.704 -24.959 -25.972 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.304 -24.051 -26.591 1.00 0.00 H new ATOM 522 N ASP A 57 -5.700 -28.068 -30.158 1.00 0.00 N ATOM 523 CA ASP A 57 -6.927 -28.827 -30.538 1.00 0.00 C ATOM 524 C ASP A 57 -7.858 -29.004 -29.326 1.00 0.00 C ATOM 525 O ASP A 57 -8.887 -29.686 -29.404 1.00 0.00 O ATOM 526 CB ASP A 57 -6.539 -30.208 -31.123 1.00 0.00 C ATOM 527 CG ASP A 57 -5.795 -30.108 -32.463 1.00 0.00 C ATOM 528 OD1 ASP A 57 -4.562 -29.865 -32.453 1.00 0.00 O ATOM 529 OD2 ASP A 57 -6.432 -30.291 -33.526 1.00 0.00 O ATOM 0 H ASP A 57 -5.090 -28.581 -29.522 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.462 -28.258 -31.298 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.912 -30.737 -30.405 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.441 -30.805 -31.259 1.00 0.00 H new ATOM 534 N GLU A 58 -7.513 -28.307 -28.236 1.00 0.00 N ATOM 535 CA GLU A 58 -8.173 -28.413 -26.919 1.00 0.00 C ATOM 536 C GLU A 58 -8.180 -27.027 -26.243 1.00 0.00 C ATOM 537 O GLU A 58 -7.149 -26.553 -25.757 1.00 0.00 O ATOM 538 CB GLU A 58 -7.484 -29.472 -26.002 1.00 0.00 C ATOM 539 CG GLU A 58 -7.708 -30.935 -26.437 1.00 0.00 C ATOM 540 CD GLU A 58 -7.015 -31.951 -25.518 1.00 0.00 C ATOM 541 OE1 GLU A 58 -7.627 -32.386 -24.520 1.00 0.00 O ATOM 542 OE2 GLU A 58 -5.847 -32.300 -25.777 1.00 0.00 O ATOM 0 H GLU A 58 -6.747 -27.634 -28.241 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.197 -28.752 -27.074 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.413 -29.273 -25.979 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.853 -29.348 -24.984 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.778 -31.142 -26.456 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.340 -31.065 -27.455 1.00 0.00 H new ATOM 549 N CYS A 59 -9.353 -26.390 -26.295 1.00 0.00 N ATOM 550 CA CYS A 59 -9.663 -25.063 -25.713 1.00 0.00 C ATOM 551 C CYS A 59 -9.161 -24.894 -24.271 1.00 0.00 C ATOM 552 O CYS A 59 -9.482 -25.715 -23.429 1.00 0.00 O ATOM 553 CB CYS A 59 -11.189 -24.923 -25.765 1.00 0.00 C ATOM 554 SG CYS A 59 -11.882 -23.434 -25.009 1.00 0.00 S ATOM 0 H CYS A 59 -10.160 -26.799 -26.766 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.151 -24.289 -26.284 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.500 -24.953 -26.809 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.629 -25.792 -25.276 1.00 0.00 H new ATOM 0 HG CYS A 59 -13.023 -23.155 -25.566 1.00 0.00 H new ATOM 559 N GLU A 60 -8.423 -23.796 -23.984 1.00 0.00 N ATOM 560 CA GLU A 60 -7.809 -23.578 -22.645 1.00 0.00 C ATOM 561 C GLU A 60 -8.864 -23.196 -21.572 1.00 0.00 C ATOM 562 O GLU A 60 -8.558 -23.167 -20.376 1.00 0.00 O ATOM 563 CB GLU A 60 -6.696 -22.489 -22.710 1.00 0.00 C ATOM 564 CG GLU A 60 -7.188 -21.076 -23.119 1.00 0.00 C ATOM 565 CD GLU A 60 -6.197 -19.956 -22.741 1.00 0.00 C ATOM 566 OE1 GLU A 60 -5.223 -19.728 -23.482 1.00 0.00 O ATOM 567 OE2 GLU A 60 -6.378 -19.320 -21.682 1.00 0.00 O ATOM 0 H GLU A 60 -8.237 -23.050 -24.654 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.360 -24.526 -22.348 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.216 -22.422 -21.734 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.933 -22.812 -23.419 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.357 -21.055 -24.196 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.148 -20.880 -22.641 1.00 0.00 H new ATOM 574 N GLU A 61 -10.105 -22.918 -22.017 1.00 0.00 N ATOM 575 CA GLU A 61 -11.208 -22.489 -21.133 1.00 0.00 C ATOM 576 C GLU A 61 -12.039 -23.689 -20.673 1.00 0.00 C ATOM 577 O GLU A 61 -12.300 -23.856 -19.481 1.00 0.00 O ATOM 578 CB GLU A 61 -12.123 -21.492 -21.888 1.00 0.00 C ATOM 579 CG GLU A 61 -11.388 -20.312 -22.534 1.00 0.00 C ATOM 580 CD GLU A 61 -10.757 -19.314 -21.541 1.00 0.00 C ATOM 581 OE1 GLU A 61 -9.620 -19.543 -21.075 1.00 0.00 O ATOM 582 OE2 GLU A 61 -11.393 -18.281 -21.238 1.00 0.00 O ATOM 0 H GLU A 61 -10.372 -22.984 -22.999 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.776 -22.007 -20.256 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.665 -22.033 -22.663 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.866 -21.103 -21.192 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.603 -20.703 -23.181 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.088 -19.773 -23.172 1.00 0.00 H new ATOM 589 N CYS A 62 -12.463 -24.529 -21.638 1.00 0.00 N ATOM 590 CA CYS A 62 -13.457 -25.595 -21.371 1.00 0.00 C ATOM 591 C CYS A 62 -13.049 -26.954 -21.978 1.00 0.00 C ATOM 592 O CYS A 62 -13.852 -27.888 -21.995 1.00 0.00 O ATOM 593 CB CYS A 62 -14.844 -25.150 -21.897 1.00 0.00 C ATOM 594 SG CYS A 62 -15.050 -25.180 -23.707 1.00 0.00 S ATOM 0 H CYS A 62 -12.137 -24.493 -22.604 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.504 -25.744 -20.292 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.604 -25.793 -21.453 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -15.038 -24.137 -21.545 1.00 0.00 H new ATOM 0 HG CYS A 62 -14.017 -24.627 -24.271 1.00 0.00 H new ATOM 599 N GLY A 63 -11.787 -27.053 -22.448 1.00 0.00 N ATOM 600 CA GLY A 63 -11.236 -28.282 -23.067 1.00 0.00 C ATOM 601 C GLY A 63 -12.005 -28.795 -24.292 1.00 0.00 C ATOM 602 O GLY A 63 -11.876 -29.966 -24.665 1.00 0.00 O ATOM 0 H GLY A 63 -11.119 -26.283 -22.410 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.203 -28.091 -23.359 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.214 -29.071 -22.315 1.00 0.00 H new ATOM 606 N ALA A 64 -12.789 -27.903 -24.915 1.00 0.00 N ATOM 607 CA ALA A 64 -13.639 -28.235 -26.071 1.00 0.00 C ATOM 608 C ALA A 64 -12.794 -28.449 -27.344 1.00 0.00 C ATOM 609 O ALA A 64 -11.752 -27.782 -27.501 1.00 0.00 O ATOM 610 CB ALA A 64 -14.668 -27.122 -26.294 1.00 0.00 C ATOM 0 H ALA A 64 -12.853 -26.926 -24.631 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.159 -29.169 -25.858 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.295 -27.372 -27.150 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.291 -27.020 -25.406 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.151 -26.182 -26.485 1.00 0.00 H new ATOM 616 N PRO A 65 -13.243 -29.351 -28.280 1.00 0.00 N ATOM 617 CA PRO A 65 -12.528 -29.618 -29.543 1.00 0.00 C ATOM 618 C PRO A 65 -12.463 -28.350 -30.421 1.00 0.00 C ATOM 619 O PRO A 65 -13.493 -27.850 -30.892 1.00 0.00 O ATOM 620 CB PRO A 65 -13.365 -30.750 -30.208 1.00 0.00 C ATOM 621 CG PRO A 65 -14.721 -30.627 -29.596 1.00 0.00 C ATOM 622 CD PRO A 65 -14.479 -30.174 -28.176 1.00 0.00 C ATOM 0 HA PRO A 65 -11.488 -29.910 -29.394 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.406 -30.628 -31.290 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.930 -31.730 -30.014 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.334 -29.907 -30.139 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.251 -31.579 -29.620 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.317 -29.593 -27.792 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.342 -31.020 -27.502 1.00 0.00 H new ATOM 630 N ILE A 66 -11.248 -27.799 -30.546 1.00 0.00 N ATOM 631 CA ILE A 66 -10.967 -26.632 -31.392 1.00 0.00 C ATOM 632 C ILE A 66 -11.187 -27.004 -32.873 1.00 0.00 C ATOM 633 O ILE A 66 -10.475 -27.885 -33.380 1.00 0.00 O ATOM 634 CB ILE A 66 -9.486 -26.138 -31.186 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.216 -25.810 -29.696 1.00 0.00 C ATOM 636 CG2 ILE A 66 -9.170 -24.914 -32.089 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.728 -24.479 -29.239 1.00 0.00 C ATOM 0 H ILE A 66 -10.426 -28.154 -30.058 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.644 -25.826 -31.109 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.820 -26.949 -31.481 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.668 -26.587 -29.080 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.141 -25.849 -29.520 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.140 -24.596 -31.924 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.301 -25.190 -33.135 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.846 -24.096 -31.842 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.491 -24.341 -28.184 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.257 -23.688 -29.823 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.808 -24.438 -29.377 1.00 0.00 H new ATOM 649 N PRO A 67 -12.178 -26.371 -33.584 1.00 0.00 N ATOM 650 CA PRO A 67 -12.391 -26.626 -35.021 1.00 0.00 C ATOM 651 C PRO A 67 -11.165 -26.172 -35.833 1.00 0.00 C ATOM 652 O PRO A 67 -10.542 -25.143 -35.509 1.00 0.00 O ATOM 653 CB PRO A 67 -13.662 -25.803 -35.367 1.00 0.00 C ATOM 654 CG PRO A 67 -13.729 -24.746 -34.308 1.00 0.00 C ATOM 655 CD PRO A 67 -13.149 -25.371 -33.057 1.00 0.00 C ATOM 0 HA PRO A 67 -12.521 -27.682 -35.258 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.591 -25.363 -36.362 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.554 -26.429 -35.359 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.162 -23.863 -34.602 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.757 -24.424 -34.143 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.658 -24.628 -32.428 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.921 -25.843 -32.449 1.00 0.00 H new ATOM 663 N GLN A 68 -10.836 -26.942 -36.883 1.00 0.00 N ATOM 664 CA GLN A 68 -9.644 -26.704 -37.708 1.00 0.00 C ATOM 665 C GLN A 68 -9.743 -25.351 -38.442 1.00 0.00 C ATOM 666 O GLN A 68 -8.729 -24.805 -38.851 1.00 0.00 O ATOM 667 CB GLN A 68 -9.413 -27.883 -38.702 1.00 0.00 C ATOM 668 CG GLN A 68 -10.414 -27.987 -39.898 1.00 0.00 C ATOM 669 CD GLN A 68 -9.826 -27.614 -41.279 1.00 0.00 C ATOM 670 OE1 GLN A 68 -10.272 -28.121 -42.312 1.00 0.00 O ATOM 671 NE2 GLN A 68 -8.821 -26.733 -41.315 1.00 0.00 N ATOM 0 H GLN A 68 -11.389 -27.745 -37.182 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.776 -26.655 -37.050 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.405 -27.797 -39.106 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.453 -28.816 -38.141 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.794 -29.007 -39.946 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.266 -27.338 -39.696 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.468 -26.326 -40.449 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.407 -26.468 -42.209 1.00 0.00 H new ATOM 680 N ALA A 69 -10.990 -24.828 -38.565 1.00 0.00 N ATOM 681 CA ALA A 69 -11.282 -23.500 -39.135 1.00 0.00 C ATOM 682 C ALA A 69 -10.638 -22.401 -38.278 1.00 0.00 C ATOM 683 O ALA A 69 -10.001 -21.490 -38.799 1.00 0.00 O ATOM 684 CB ALA A 69 -12.809 -23.286 -39.233 1.00 0.00 C ATOM 0 H ALA A 69 -11.827 -25.328 -38.265 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.860 -23.447 -40.139 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.012 -22.302 -39.655 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.243 -24.053 -39.874 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.250 -23.352 -38.238 1.00 0.00 H new ATOM 690 N ARG A 70 -10.799 -22.526 -36.948 1.00 0.00 N ATOM 691 CA ARG A 70 -10.196 -21.604 -35.966 1.00 0.00 C ATOM 692 C ARG A 70 -8.670 -21.751 -35.936 1.00 0.00 C ATOM 693 O ARG A 70 -7.958 -20.783 -35.684 1.00 0.00 O ATOM 694 CB ARG A 70 -10.809 -21.839 -34.553 1.00 0.00 C ATOM 695 CG ARG A 70 -12.271 -21.355 -34.428 1.00 0.00 C ATOM 696 CD ARG A 70 -12.384 -19.824 -34.503 1.00 0.00 C ATOM 697 NE ARG A 70 -13.764 -19.362 -34.765 1.00 0.00 N ATOM 698 CZ ARG A 70 -14.142 -18.068 -34.829 1.00 0.00 C ATOM 699 NH1 ARG A 70 -13.286 -17.096 -34.517 1.00 0.00 N ATOM 700 NH2 ARG A 70 -15.377 -17.750 -35.200 1.00 0.00 N ATOM 0 H ARG A 70 -11.352 -23.270 -36.522 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.422 -20.583 -36.272 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.765 -22.903 -34.319 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.199 -21.324 -33.811 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.869 -21.801 -35.223 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.687 -21.703 -33.483 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.033 -19.392 -33.566 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.727 -19.454 -35.290 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.482 -20.072 -34.908 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.336 -17.327 -34.227 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.581 -16.121 -34.568 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -16.043 -18.485 -35.438 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -15.659 -16.771 -35.247 1.00 0.00 H new ATOM 714 N ARG A 71 -8.176 -22.970 -36.195 1.00 0.00 N ATOM 715 CA ARG A 71 -6.733 -23.265 -36.176 1.00 0.00 C ATOM 716 C ARG A 71 -6.005 -22.636 -37.381 1.00 0.00 C ATOM 717 O ARG A 71 -4.931 -22.049 -37.216 1.00 0.00 O ATOM 718 CB ARG A 71 -6.494 -24.795 -36.122 1.00 0.00 C ATOM 719 CG ARG A 71 -7.121 -25.477 -34.889 1.00 0.00 C ATOM 720 CD ARG A 71 -6.723 -26.951 -34.737 1.00 0.00 C ATOM 721 NE ARG A 71 -5.279 -27.105 -34.462 1.00 0.00 N ATOM 722 CZ ARG A 71 -4.414 -27.838 -35.187 1.00 0.00 C ATOM 723 NH1 ARG A 71 -4.822 -28.509 -36.255 1.00 0.00 N ATOM 724 NH2 ARG A 71 -3.148 -27.905 -34.827 1.00 0.00 N ATOM 0 H ARG A 71 -8.759 -23.775 -36.422 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.314 -22.815 -35.276 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.902 -25.250 -37.025 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.421 -24.987 -36.126 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.823 -24.934 -33.992 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.207 -25.407 -34.958 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.297 -27.401 -33.927 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.979 -27.492 -35.648 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.905 -26.612 -33.651 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.802 -28.473 -36.536 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.156 -29.061 -36.796 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.826 -27.402 -34.000 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.491 -28.460 -35.375 1.00 0.00 H new ATOM 738 N GLU A 72 -6.609 -22.741 -38.579 1.00 0.00 N ATOM 739 CA GLU A 72 -5.990 -22.243 -39.829 1.00 0.00 C ATOM 740 C GLU A 72 -6.220 -20.735 -40.014 1.00 0.00 C ATOM 741 O GLU A 72 -5.400 -20.055 -40.643 1.00 0.00 O ATOM 742 CB GLU A 72 -6.482 -23.069 -41.054 1.00 0.00 C ATOM 743 CG GLU A 72 -8.015 -23.108 -41.300 1.00 0.00 C ATOM 744 CD GLU A 72 -8.549 -22.052 -42.285 1.00 0.00 C ATOM 745 OE1 GLU A 72 -8.462 -22.280 -43.509 1.00 0.00 O ATOM 746 OE2 GLU A 72 -9.058 -21.008 -41.841 1.00 0.00 O ATOM 0 H GLU A 72 -7.527 -23.166 -38.711 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.912 -22.383 -39.752 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.004 -22.669 -41.948 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.130 -24.094 -40.936 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.282 -24.097 -41.673 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.523 -22.980 -40.344 1.00 0.00 H new ATOM 753 N ALA A 73 -7.337 -20.222 -39.475 1.00 0.00 N ATOM 754 CA ALA A 73 -7.657 -18.778 -39.510 1.00 0.00 C ATOM 755 C ALA A 73 -6.825 -18.010 -38.477 1.00 0.00 C ATOM 756 O ALA A 73 -6.239 -16.965 -38.786 1.00 0.00 O ATOM 757 CB ALA A 73 -9.156 -18.544 -39.267 1.00 0.00 C ATOM 0 H ALA A 73 -8.043 -20.789 -39.004 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.406 -18.404 -40.502 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.367 -17.475 -39.297 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.733 -19.050 -40.041 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.433 -18.941 -38.290 1.00 0.00 H new ATOM 763 N ILE A 74 -6.781 -18.539 -37.242 1.00 0.00 N ATOM 764 CA ILE A 74 -6.126 -17.871 -36.104 1.00 0.00 C ATOM 765 C ILE A 74 -4.806 -18.610 -35.769 1.00 0.00 C ATOM 766 O ILE A 74 -4.851 -19.738 -35.252 1.00 0.00 O ATOM 767 CB ILE A 74 -7.080 -17.846 -34.849 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.496 -17.308 -35.246 1.00 0.00 C ATOM 769 CG2 ILE A 74 -6.466 -17.026 -33.689 1.00 0.00 C ATOM 770 CD1 ILE A 74 -9.548 -17.389 -34.149 1.00 0.00 C ATOM 0 H ILE A 74 -7.197 -19.439 -37.005 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.903 -16.839 -36.375 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.196 -18.869 -34.491 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.398 -16.268 -35.558 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.851 -17.868 -36.111 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.149 -17.029 -32.840 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.516 -17.471 -33.392 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.300 -16.000 -34.017 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.493 -16.993 -34.521 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.683 -18.429 -33.850 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -9.223 -16.804 -33.289 1.00 0.00 H new ATOM 782 N PRO A 75 -3.614 -18.002 -36.087 1.00 0.00 N ATOM 783 CA PRO A 75 -2.296 -18.610 -35.791 1.00 0.00 C ATOM 784 C PRO A 75 -2.023 -18.667 -34.270 1.00 0.00 C ATOM 785 O PRO A 75 -1.811 -17.639 -33.619 1.00 0.00 O ATOM 786 CB PRO A 75 -1.291 -17.684 -36.533 1.00 0.00 C ATOM 787 CG PRO A 75 -1.995 -16.366 -36.639 1.00 0.00 C ATOM 788 CD PRO A 75 -3.466 -16.691 -36.781 1.00 0.00 C ATOM 0 HA PRO A 75 -2.224 -19.647 -36.119 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.356 -17.590 -35.980 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.041 -18.080 -37.517 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.814 -15.754 -35.755 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.636 -15.799 -37.498 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.090 -15.924 -36.323 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.761 -16.758 -37.828 1.00 0.00 H new ATOM 796 N GLY A 76 -2.064 -19.888 -33.723 1.00 0.00 N ATOM 797 CA GLY A 76 -1.908 -20.118 -32.289 1.00 0.00 C ATOM 798 C GLY A 76 -3.184 -19.824 -31.510 1.00 0.00 C ATOM 799 O GLY A 76 -3.140 -19.163 -30.469 1.00 0.00 O ATOM 0 H GLY A 76 -2.206 -20.741 -34.265 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.613 -21.154 -32.120 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.101 -19.491 -31.909 1.00 0.00 H new ATOM 803 N VAL A 77 -4.330 -20.323 -32.028 1.00 0.00 N ATOM 804 CA VAL A 77 -5.649 -20.164 -31.377 1.00 0.00 C ATOM 805 C VAL A 77 -5.674 -20.906 -30.023 1.00 0.00 C ATOM 806 O VAL A 77 -5.036 -21.950 -29.876 1.00 0.00 O ATOM 807 CB VAL A 77 -6.834 -20.672 -32.294 1.00 0.00 C ATOM 808 CG1 VAL A 77 -6.734 -22.182 -32.581 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.216 -20.315 -31.694 1.00 0.00 C ATOM 0 H VAL A 77 -4.366 -20.844 -32.904 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.797 -19.097 -31.209 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.738 -20.149 -33.246 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.567 -22.488 -33.214 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.794 -22.394 -33.091 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.770 -22.734 -31.642 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.004 -20.680 -32.353 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.318 -20.780 -30.713 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.300 -19.233 -31.593 1.00 0.00 H new ATOM 819 N ARG A 78 -6.391 -20.335 -29.044 1.00 0.00 N ATOM 820 CA ARG A 78 -6.483 -20.880 -27.671 1.00 0.00 C ATOM 821 C ARG A 78 -7.924 -21.330 -27.366 1.00 0.00 C ATOM 822 O ARG A 78 -8.169 -22.183 -26.505 1.00 0.00 O ATOM 823 CB ARG A 78 -6.056 -19.809 -26.621 1.00 0.00 C ATOM 824 CG ARG A 78 -4.785 -18.973 -26.955 1.00 0.00 C ATOM 825 CD ARG A 78 -5.090 -17.749 -27.845 1.00 0.00 C ATOM 826 NE ARG A 78 -3.868 -17.003 -28.203 1.00 0.00 N ATOM 827 CZ ARG A 78 -3.683 -16.311 -29.338 1.00 0.00 C ATOM 828 NH1 ARG A 78 -4.651 -16.220 -30.247 1.00 0.00 N ATOM 829 NH2 ARG A 78 -2.528 -15.702 -29.549 1.00 0.00 N ATOM 0 H ARG A 78 -6.928 -19.478 -29.178 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.810 -21.735 -27.608 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.889 -19.120 -26.479 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.892 -20.312 -25.668 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.324 -18.636 -26.027 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.058 -19.611 -27.459 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.592 -18.079 -28.755 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.779 -17.085 -27.323 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.100 -17.014 -27.532 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.547 -16.679 -30.085 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.497 -15.691 -31.105 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.786 -15.760 -28.852 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.379 -15.174 -30.409 1.00 0.00 H new ATOM 843 N LEU A 79 -8.868 -20.742 -28.102 1.00 0.00 N ATOM 844 CA LEU A 79 -10.295 -20.736 -27.756 1.00 0.00 C ATOM 845 C LEU A 79 -11.124 -21.459 -28.832 1.00 0.00 C ATOM 846 O LEU A 79 -10.947 -21.208 -30.028 1.00 0.00 O ATOM 847 CB LEU A 79 -10.742 -19.259 -27.637 1.00 0.00 C ATOM 848 CG LEU A 79 -9.894 -18.376 -26.672 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.160 -16.869 -26.885 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.141 -18.779 -25.218 1.00 0.00 C ATOM 0 H LEU A 79 -8.662 -20.248 -28.970 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.453 -21.263 -26.815 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.717 -18.809 -28.629 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.780 -19.237 -27.304 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.843 -18.550 -26.904 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.549 -16.290 -26.192 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -9.905 -16.596 -27.909 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.214 -16.656 -26.704 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.540 -18.152 -24.559 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.197 -18.650 -24.979 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.862 -19.823 -25.078 1.00 0.00 H new ATOM 862 N CYS A 80 -12.020 -22.371 -28.390 1.00 0.00 N ATOM 863 CA CYS A 80 -12.984 -23.064 -29.282 1.00 0.00 C ATOM 864 C CYS A 80 -13.982 -22.039 -29.792 1.00 0.00 C ATOM 865 O CYS A 80 -14.150 -21.028 -29.119 1.00 0.00 O ATOM 866 CB CYS A 80 -13.694 -24.210 -28.523 1.00 0.00 C ATOM 867 SG CYS A 80 -14.922 -23.665 -27.291 1.00 0.00 S ATOM 0 H CYS A 80 -12.097 -22.648 -27.411 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.462 -23.512 -30.127 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.190 -24.855 -29.249 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.940 -24.816 -28.020 1.00 0.00 H new ATOM 0 HG CYS A 80 -15.738 -24.643 -27.030 1.00 0.00 H new ATOM 872 N ILE A 81 -14.678 -22.315 -30.922 1.00 0.00 N ATOM 873 CA ILE A 81 -15.498 -21.297 -31.645 1.00 0.00 C ATOM 874 C ILE A 81 -16.475 -20.551 -30.699 1.00 0.00 C ATOM 875 O ILE A 81 -16.725 -19.365 -30.882 1.00 0.00 O ATOM 876 CB ILE A 81 -16.307 -21.931 -32.846 1.00 0.00 C ATOM 877 CG1 ILE A 81 -17.108 -20.831 -33.635 1.00 0.00 C ATOM 878 CG2 ILE A 81 -17.229 -23.083 -32.368 1.00 0.00 C ATOM 879 CD1 ILE A 81 -17.998 -21.350 -34.752 1.00 0.00 C ATOM 0 H ILE A 81 -14.691 -23.237 -31.358 1.00 0.00 H new ATOM 0 HA ILE A 81 -14.787 -20.575 -32.046 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.585 -22.367 -33.537 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -17.726 -20.278 -32.928 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.397 -20.122 -34.059 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.769 -23.494 -33.221 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.625 -23.866 -31.909 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -17.942 -22.700 -31.638 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.505 -20.513 -35.232 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -17.389 -21.876 -35.488 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.739 -22.034 -34.339 1.00 0.00 H new ATOM 891 N HIS A 82 -16.923 -21.252 -29.644 1.00 0.00 N ATOM 892 CA HIS A 82 -17.858 -20.721 -28.630 1.00 0.00 C ATOM 893 C HIS A 82 -17.149 -19.683 -27.727 1.00 0.00 C ATOM 894 O HIS A 82 -17.586 -18.528 -27.637 1.00 0.00 O ATOM 895 CB HIS A 82 -18.432 -21.883 -27.778 1.00 0.00 C ATOM 896 CG HIS A 82 -18.944 -23.029 -28.597 1.00 0.00 C ATOM 897 ND1 HIS A 82 -20.216 -23.084 -29.113 1.00 0.00 N ATOM 898 CD2 HIS A 82 -18.330 -24.163 -29.000 1.00 0.00 C ATOM 899 CE1 HIS A 82 -20.354 -24.189 -29.811 1.00 0.00 C ATOM 900 NE2 HIS A 82 -19.224 -24.867 -29.752 1.00 0.00 N ATOM 0 H HIS A 82 -16.644 -22.217 -29.466 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.681 -20.221 -29.140 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.656 -22.246 -27.104 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.241 -21.501 -27.156 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.317 -24.458 -28.769 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.244 -24.491 -30.344 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -19.048 -25.769 -30.195 1.00 0.00 H new ATOM 909 N CYS A 83 -16.022 -20.095 -27.092 1.00 0.00 N ATOM 910 CA CYS A 83 -15.226 -19.196 -26.221 1.00 0.00 C ATOM 911 C CYS A 83 -14.460 -18.158 -27.057 1.00 0.00 C ATOM 912 O CYS A 83 -13.985 -17.177 -26.515 1.00 0.00 O ATOM 913 CB CYS A 83 -14.224 -19.962 -25.325 1.00 0.00 C ATOM 914 SG CYS A 83 -14.930 -21.303 -24.328 1.00 0.00 S ATOM 0 H CYS A 83 -15.646 -21.040 -27.167 1.00 0.00 H new ATOM 0 HA CYS A 83 -15.943 -18.695 -25.571 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.442 -20.378 -25.959 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.745 -19.249 -24.655 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.084 -22.360 -25.069 1.00 0.00 H new ATOM 919 N GLN A 84 -14.306 -18.392 -28.371 1.00 0.00 N ATOM 920 CA GLN A 84 -13.560 -17.479 -29.243 1.00 0.00 C ATOM 921 C GLN A 84 -14.475 -16.329 -29.669 1.00 0.00 C ATOM 922 O GLN A 84 -14.100 -15.167 -29.530 1.00 0.00 O ATOM 923 CB GLN A 84 -12.963 -18.232 -30.482 1.00 0.00 C ATOM 924 CG GLN A 84 -11.608 -17.684 -31.008 1.00 0.00 C ATOM 925 CD GLN A 84 -11.608 -16.175 -31.255 1.00 0.00 C ATOM 926 OE1 GLN A 84 -11.967 -15.717 -32.336 1.00 0.00 O ATOM 927 NE2 GLN A 84 -11.193 -15.397 -30.251 1.00 0.00 N ATOM 0 H GLN A 84 -14.690 -19.207 -28.850 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.714 -17.070 -28.691 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.833 -19.282 -30.219 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.690 -18.194 -31.293 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.825 -17.925 -30.289 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.356 -18.195 -31.937 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -10.903 -15.816 -29.368 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.167 -14.384 -30.368 1.00 0.00 H new