USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 486 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0.0169 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.303 K(o=-0.3,f=-2!) USER MOD Single : A 71 CYS SG : rot 87:sc= -0.716 USER MOD Single : A 77 MET CE :methyl -144:sc= -0.0213 (180deg=-0.701) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 94:sc= 1.17 USER MOD Single : A 84 MET CE :methyl -150:sc= -0.646 (180deg=-2.05!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 121:sc= 1.64 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N CYS A 16 7.051 -4.487 -7.843 1.00 0.00 N ATOM 245 CA CYS A 16 5.973 -5.458 -7.761 1.00 0.00 C ATOM 246 C CYS A 16 6.340 -6.493 -6.695 1.00 0.00 C ATOM 247 O CYS A 16 5.741 -6.522 -5.621 1.00 0.00 O ATOM 248 CB CYS A 16 5.693 -6.109 -9.116 1.00 0.00 C ATOM 249 SG CYS A 16 4.206 -5.360 -9.876 1.00 0.00 S ATOM 0 HA CYS A 16 5.048 -4.956 -7.476 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.552 -5.981 -9.775 1.00 0.00 H new ATOM 0 HB3 CYS A 16 5.546 -7.182 -8.990 1.00 0.00 H new ATOM 0 HG CYS A 16 3.979 -5.919 -11.028 1.00 0.00 H new ATOM 255 N VAL A 17 7.321 -7.317 -7.030 1.00 0.00 N ATOM 256 CA VAL A 17 7.775 -8.351 -6.115 1.00 0.00 C ATOM 257 C VAL A 17 9.233 -8.087 -5.735 1.00 0.00 C ATOM 258 O VAL A 17 9.509 -7.470 -4.707 1.00 0.00 O ATOM 259 CB VAL A 17 7.560 -9.732 -6.738 1.00 0.00 C ATOM 260 CG1 VAL A 17 8.168 -10.829 -5.862 1.00 0.00 C ATOM 261 CG2 VAL A 17 6.074 -9.994 -6.992 1.00 0.00 C ATOM 0 H VAL A 17 7.815 -7.290 -7.922 1.00 0.00 H new ATOM 0 HA VAL A 17 7.191 -8.329 -5.195 1.00 0.00 H new ATOM 0 HB VAL A 17 8.072 -9.749 -7.700 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.001 -11.800 -6.327 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.239 -10.657 -5.755 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.697 -10.812 -4.879 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.949 -10.982 -7.435 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.530 -9.948 -6.049 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.683 -9.239 -7.674 1.00 0.00 H new ATOM 271 N SER A 18 10.129 -8.566 -6.586 1.00 0.00 N ATOM 272 CA SER A 18 11.552 -8.389 -6.353 1.00 0.00 C ATOM 273 C SER A 18 11.949 -9.036 -5.024 1.00 0.00 C ATOM 274 O SER A 18 11.087 -9.438 -4.243 1.00 0.00 O ATOM 275 CB SER A 18 11.930 -6.907 -6.356 1.00 0.00 C ATOM 276 OG SER A 18 13.271 -6.699 -6.791 1.00 0.00 O ATOM 0 H SER A 18 9.897 -9.077 -7.438 1.00 0.00 H new ATOM 0 HA SER A 18 12.095 -8.876 -7.163 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.249 -6.360 -7.008 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.807 -6.499 -5.353 1.00 0.00 H new ATOM 0 HG SER A 18 13.473 -5.740 -6.781 1.00 0.00 H new ATOM 282 N GLU A 19 13.254 -9.116 -4.808 1.00 0.00 N ATOM 283 CA GLU A 19 13.775 -9.707 -3.587 1.00 0.00 C ATOM 284 C GLU A 19 13.279 -8.929 -2.367 1.00 0.00 C ATOM 285 O GLU A 19 13.264 -9.455 -1.255 1.00 0.00 O ATOM 286 CB GLU A 19 15.304 -9.765 -3.616 1.00 0.00 C ATOM 287 CG GLU A 19 15.895 -8.427 -4.064 1.00 0.00 C ATOM 288 CD GLU A 19 16.862 -7.876 -3.015 1.00 0.00 C ATOM 289 OE1 GLU A 19 18.087 -8.260 -3.147 1.00 0.00 O ATOM 290 OE2 GLU A 19 16.446 -7.119 -2.125 1.00 0.00 O ATOM 0 H GLU A 19 13.966 -8.782 -5.458 1.00 0.00 H new ATOM 0 HA GLU A 19 13.406 -10.730 -3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.681 -10.019 -2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.629 -10.555 -4.293 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.416 -8.555 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.092 -7.710 -4.236 1.00 0.00 H new ATOM 297 N LYS A 20 12.884 -7.689 -2.616 1.00 0.00 N ATOM 298 CA LYS A 20 12.388 -6.833 -1.551 1.00 0.00 C ATOM 299 C LYS A 20 11.079 -7.409 -1.009 1.00 0.00 C ATOM 300 O LYS A 20 10.982 -7.732 0.174 1.00 0.00 O ATOM 301 CB LYS A 20 12.270 -5.387 -2.037 1.00 0.00 C ATOM 302 CG LYS A 20 12.928 -4.421 -1.050 1.00 0.00 C ATOM 303 CD LYS A 20 12.637 -2.968 -1.428 1.00 0.00 C ATOM 304 CE LYS A 20 12.931 -2.027 -0.258 1.00 0.00 C ATOM 305 NZ LYS A 20 12.114 -0.798 -0.363 1.00 0.00 N ATOM 0 H LYS A 20 12.897 -7.256 -3.540 1.00 0.00 H new ATOM 0 HA LYS A 20 13.094 -6.809 -0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.740 -5.289 -3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.219 -5.126 -2.161 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.561 -4.619 -0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.005 -4.588 -1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 20 13.243 -2.684 -2.289 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.593 -2.868 -1.726 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.719 -2.532 0.684 1.00 0.00 H new ATOM 0 HE3 LYS A 20 13.990 -1.767 -0.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.326 -0.171 0.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.336 -0.309 -1.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.105 -1.050 -0.348 1.00 0.00 H new ATOM 319 N LEU A 21 10.104 -7.518 -1.899 1.00 0.00 N ATOM 320 CA LEU A 21 8.804 -8.049 -1.524 1.00 0.00 C ATOM 321 C LEU A 21 8.960 -9.507 -1.087 1.00 0.00 C ATOM 322 O LEU A 21 8.331 -9.940 -0.123 1.00 0.00 O ATOM 323 CB LEU A 21 7.797 -7.852 -2.659 1.00 0.00 C ATOM 324 CG LEU A 21 6.322 -7.839 -2.253 1.00 0.00 C ATOM 325 CD1 LEU A 21 5.848 -9.241 -1.864 1.00 0.00 C ATOM 326 CD2 LEU A 21 6.069 -6.820 -1.141 1.00 0.00 C ATOM 0 H LEU A 21 10.188 -7.248 -2.879 1.00 0.00 H new ATOM 0 HA LEU A 21 8.401 -7.502 -0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.024 -6.911 -3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.945 -8.646 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 21 5.733 -7.528 -3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.796 -9.204 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.971 -9.915 -2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.439 -9.604 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.013 -6.831 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.669 -7.077 -0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.344 -5.825 -1.490 1.00 0.00 H new ATOM 338 N LEU A 22 9.803 -10.223 -1.816 1.00 0.00 N ATOM 339 CA LEU A 22 10.050 -11.623 -1.515 1.00 0.00 C ATOM 340 C LEU A 22 10.472 -11.759 -0.051 1.00 0.00 C ATOM 341 O LEU A 22 9.943 -12.599 0.676 1.00 0.00 O ATOM 342 CB LEU A 22 11.058 -12.214 -2.503 1.00 0.00 C ATOM 343 CG LEU A 22 10.608 -13.473 -3.248 1.00 0.00 C ATOM 344 CD1 LEU A 22 10.336 -14.619 -2.273 1.00 0.00 C ATOM 345 CD2 LEU A 22 9.400 -13.180 -4.139 1.00 0.00 C ATOM 0 H LEU A 22 10.324 -9.860 -2.614 1.00 0.00 H new ATOM 0 HA LEU A 22 9.137 -12.206 -1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.306 -11.449 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.975 -12.445 -1.961 1.00 0.00 H new ATOM 0 HG LEU A 22 11.420 -13.792 -3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.018 -15.501 -2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.246 -14.848 -1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.550 -14.326 -1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.100 -14.091 -4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.573 -12.823 -3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.664 -12.417 -4.871 1.00 0.00 H new ATOM 357 N ARG A 23 11.421 -10.920 0.338 1.00 0.00 N ATOM 358 CA ARG A 23 11.920 -10.936 1.703 1.00 0.00 C ATOM 359 C ARG A 23 10.807 -10.549 2.680 1.00 0.00 C ATOM 360 O ARG A 23 10.609 -11.215 3.695 1.00 0.00 O ATOM 361 CB ARG A 23 13.095 -9.970 1.871 1.00 0.00 C ATOM 362 CG ARG A 23 14.080 -10.483 2.923 1.00 0.00 C ATOM 363 CD ARG A 23 14.980 -9.354 3.428 1.00 0.00 C ATOM 364 NE ARG A 23 15.767 -9.817 4.593 1.00 0.00 N ATOM 365 CZ ARG A 23 15.277 -9.916 5.847 1.00 0.00 C ATOM 366 NH1 ARG A 23 13.995 -9.584 6.110 1.00 0.00 N ATOM 367 NH2 ARG A 23 16.070 -10.341 6.812 1.00 0.00 N ATOM 0 H ARG A 23 11.857 -10.225 -0.268 1.00 0.00 H new ATOM 0 HA ARG A 23 12.262 -11.948 1.919 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.608 -9.846 0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.724 -8.988 2.163 1.00 0.00 H new ATOM 0 HG2 ARG A 23 13.531 -10.917 3.759 1.00 0.00 H new ATOM 0 HG3 ARG A 23 14.692 -11.278 2.496 1.00 0.00 H new ATOM 0 HD2 ARG A 23 15.650 -9.028 2.632 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.374 -8.492 3.707 1.00 0.00 H new ATOM 0 HE ARG A 23 16.741 -10.078 4.439 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.389 -9.255 5.358 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.633 -9.662 7.060 1.00 0.00 H new ATOM 0 HH21 ARG A 23 17.038 -10.589 6.605 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.716 -10.422 7.765 1.00 0.00 H new ATOM 381 N LYS A 24 10.111 -9.475 2.338 1.00 0.00 N ATOM 382 CA LYS A 24 9.023 -8.993 3.172 1.00 0.00 C ATOM 383 C LYS A 24 8.116 -10.166 3.550 1.00 0.00 C ATOM 384 O LYS A 24 7.696 -10.285 4.700 1.00 0.00 O ATOM 385 CB LYS A 24 8.287 -7.844 2.481 1.00 0.00 C ATOM 386 CG LYS A 24 8.548 -6.516 3.194 1.00 0.00 C ATOM 387 CD LYS A 24 8.692 -5.372 2.189 1.00 0.00 C ATOM 388 CE LYS A 24 7.874 -4.154 2.623 1.00 0.00 C ATOM 389 NZ LYS A 24 8.765 -3.082 3.120 1.00 0.00 N ATOM 0 H LYS A 24 10.279 -8.925 1.495 1.00 0.00 H new ATOM 0 HA LYS A 24 9.412 -8.578 4.102 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.611 -7.773 1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.217 -8.049 2.468 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.729 -6.301 3.880 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.455 -6.594 3.794 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.742 -5.095 2.096 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.362 -5.704 1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.286 -3.786 1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.170 -4.441 3.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.194 -2.263 3.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.308 -3.432 3.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.420 -2.797 2.364 1.00 0.00 H new ATOM 403 N THR A 25 7.841 -11.002 2.560 1.00 0.00 N ATOM 404 CA THR A 25 6.992 -12.162 2.774 1.00 0.00 C ATOM 405 C THR A 25 7.681 -13.163 3.703 1.00 0.00 C ATOM 406 O THR A 25 8.898 -13.115 3.881 1.00 0.00 O ATOM 407 CB THR A 25 6.637 -12.746 1.406 1.00 0.00 C ATOM 408 OG1 THR A 25 5.722 -11.804 0.853 1.00 0.00 O ATOM 409 CG2 THR A 25 5.822 -14.037 1.514 1.00 0.00 C ATOM 0 H THR A 25 8.191 -10.899 1.607 1.00 0.00 H new ATOM 0 HA THR A 25 6.065 -11.887 3.276 1.00 0.00 H new ATOM 0 HB THR A 25 7.552 -12.940 0.846 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.441 -12.104 -0.037 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.597 -14.410 0.515 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.397 -14.786 2.059 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.891 -13.836 2.045 1.00 0.00 H new ATOM 417 N ARG A 26 6.874 -14.048 4.270 1.00 0.00 N ATOM 418 CA ARG A 26 7.391 -15.060 5.176 1.00 0.00 C ATOM 419 C ARG A 26 6.269 -16.003 5.614 1.00 0.00 C ATOM 420 O ARG A 26 5.688 -15.826 6.684 1.00 0.00 O ATOM 421 CB ARG A 26 8.024 -14.420 6.413 1.00 0.00 C ATOM 422 CG ARG A 26 9.361 -15.083 6.750 1.00 0.00 C ATOM 423 CD ARG A 26 9.953 -14.500 8.035 1.00 0.00 C ATOM 424 NE ARG A 26 9.540 -15.316 9.198 1.00 0.00 N ATOM 425 CZ ARG A 26 10.154 -15.285 10.401 1.00 0.00 C ATOM 426 NH1 ARG A 26 11.215 -14.477 10.608 1.00 0.00 N ATOM 427 NH2 ARG A 26 9.701 -16.058 11.370 1.00 0.00 N ATOM 0 H ARG A 26 5.866 -14.085 4.120 1.00 0.00 H new ATOM 0 HA ARG A 26 8.156 -15.624 4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.176 -13.355 6.238 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.345 -14.510 7.261 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.219 -16.158 6.865 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.060 -14.940 5.926 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.041 -14.475 7.966 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.618 -13.471 8.165 1.00 0.00 H new ATOM 0 HE ARG A 26 8.742 -15.941 9.084 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.559 -13.884 9.853 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.673 -14.460 11.519 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.899 -16.666 11.204 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.153 -16.047 12.284 1.00 0.00 H new ATOM 441 N GLU A 27 5.998 -16.984 4.766 1.00 0.00 N ATOM 442 CA GLU A 27 4.956 -17.955 5.053 1.00 0.00 C ATOM 443 C GLU A 27 3.702 -17.249 5.573 1.00 0.00 C ATOM 444 O GLU A 27 3.605 -16.024 5.515 1.00 0.00 O ATOM 445 CB GLU A 27 5.446 -19.007 6.050 1.00 0.00 C ATOM 446 CG GLU A 27 5.792 -20.316 5.339 1.00 0.00 C ATOM 447 CD GLU A 27 4.662 -21.337 5.488 1.00 0.00 C ATOM 448 OE1 GLU A 27 3.481 -20.959 5.485 1.00 0.00 O ATOM 449 OE2 GLU A 27 5.047 -22.562 5.610 1.00 0.00 O ATOM 0 H GLU A 27 6.482 -17.127 3.880 1.00 0.00 H new ATOM 0 HA GLU A 27 4.702 -18.471 4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.323 -18.633 6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.676 -19.189 6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.975 -20.122 4.282 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.714 -20.726 5.752 1.00 0.00 H new ATOM 456 N SER A 28 2.772 -18.052 6.069 1.00 0.00 N ATOM 457 CA SER A 28 1.529 -17.520 6.599 1.00 0.00 C ATOM 458 C SER A 28 0.679 -16.946 5.463 1.00 0.00 C ATOM 459 O SER A 28 1.214 -16.423 4.487 1.00 0.00 O ATOM 460 CB SER A 28 1.795 -16.448 7.657 1.00 0.00 C ATOM 461 OG SER A 28 1.240 -16.798 8.923 1.00 0.00 O ATOM 0 H SER A 28 2.855 -19.068 6.115 1.00 0.00 H new ATOM 0 HA SER A 28 0.984 -18.335 7.076 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.870 -16.300 7.761 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.373 -15.499 7.326 1.00 0.00 H new ATOM 0 HG SER A 28 1.433 -16.089 9.572 1.00 0.00 H new ATOM 467 N PRO A 29 -0.665 -17.065 5.633 1.00 0.00 N ATOM 468 CA PRO A 29 -1.593 -16.564 4.634 1.00 0.00 C ATOM 469 C PRO A 29 -1.687 -15.038 4.690 1.00 0.00 C ATOM 470 O PRO A 29 -0.840 -14.382 5.294 1.00 0.00 O ATOM 471 CB PRO A 29 -2.913 -17.252 4.943 1.00 0.00 C ATOM 472 CG PRO A 29 -2.798 -17.751 6.375 1.00 0.00 C ATOM 473 CD PRO A 29 -1.334 -17.678 6.777 1.00 0.00 C ATOM 0 HA PRO A 29 -1.274 -16.784 3.615 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -3.748 -16.560 4.836 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -3.093 -18.078 4.255 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -3.408 -17.142 7.042 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -3.165 -18.774 6.453 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.201 -17.082 7.680 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.931 -18.669 6.987 1.00 0.00 H new ATOM 481 N LEU A 30 -2.724 -14.517 4.051 1.00 0.00 N ATOM 482 CA LEU A 30 -2.939 -13.080 4.020 1.00 0.00 C ATOM 483 C LEU A 30 -3.998 -12.705 5.059 1.00 0.00 C ATOM 484 O LEU A 30 -4.093 -11.547 5.463 1.00 0.00 O ATOM 485 CB LEU A 30 -3.280 -12.620 2.601 1.00 0.00 C ATOM 486 CG LEU A 30 -3.258 -11.109 2.363 1.00 0.00 C ATOM 487 CD1 LEU A 30 -2.252 -10.741 1.271 1.00 0.00 C ATOM 488 CD2 LEU A 30 -4.660 -10.583 2.051 1.00 0.00 C ATOM 0 H LEU A 30 -3.425 -15.064 3.551 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.025 -12.552 4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.578 -13.087 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.272 -12.993 2.348 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.929 -10.623 3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.256 -9.661 1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.255 -11.062 1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.527 -11.237 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.616 -9.506 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.041 -11.072 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.323 -10.795 2.890 1.00 0.00 H new ATOM 500 N VAL A 31 -4.767 -13.706 5.461 1.00 0.00 N ATOM 501 CA VAL A 31 -5.816 -13.496 6.445 1.00 0.00 C ATOM 502 C VAL A 31 -5.270 -12.639 7.590 1.00 0.00 C ATOM 503 O VAL A 31 -5.886 -11.647 7.975 1.00 0.00 O ATOM 504 CB VAL A 31 -6.368 -14.842 6.917 1.00 0.00 C ATOM 505 CG1 VAL A 31 -6.595 -14.842 8.430 1.00 0.00 C ATOM 506 CG2 VAL A 31 -7.655 -15.199 6.169 1.00 0.00 C ATOM 0 H VAL A 31 -4.685 -14.665 5.123 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.652 -12.954 6.003 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.625 -15.607 6.690 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.988 -15.811 8.739 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.650 -14.654 8.940 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.309 -14.061 8.691 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.027 -16.160 6.523 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.406 -14.430 6.350 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.449 -15.261 5.100 1.00 0.00 H new ATOM 516 N PRO A 32 -4.090 -13.066 8.115 1.00 0.00 N ATOM 517 CA PRO A 32 -3.455 -12.349 9.208 1.00 0.00 C ATOM 518 C PRO A 32 -2.806 -11.056 8.711 1.00 0.00 C ATOM 519 O PRO A 32 -3.338 -9.968 8.928 1.00 0.00 O ATOM 520 CB PRO A 32 -2.452 -13.331 9.791 1.00 0.00 C ATOM 521 CG PRO A 32 -2.232 -14.388 8.721 1.00 0.00 C ATOM 522 CD PRO A 32 -3.333 -14.237 7.684 1.00 0.00 C ATOM 0 HA PRO A 32 -4.165 -12.026 9.969 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.517 -12.831 10.043 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.832 -13.778 10.709 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.253 -14.265 8.259 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.255 -15.386 9.159 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.920 -14.096 6.685 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.965 -15.124 7.645 1.00 0.00 H new ATOM 530 N ILE A 33 -1.667 -11.217 8.055 1.00 0.00 N ATOM 531 CA ILE A 33 -0.940 -10.075 7.526 1.00 0.00 C ATOM 532 C ILE A 33 -1.936 -9.051 6.978 1.00 0.00 C ATOM 533 O ILE A 33 -1.875 -7.873 7.326 1.00 0.00 O ATOM 534 CB ILE A 33 0.100 -10.531 6.501 1.00 0.00 C ATOM 535 CG1 ILE A 33 1.139 -11.451 7.145 1.00 0.00 C ATOM 536 CG2 ILE A 33 0.749 -9.331 5.808 1.00 0.00 C ATOM 537 CD1 ILE A 33 1.822 -10.763 8.329 1.00 0.00 C ATOM 0 H ILE A 33 -1.229 -12.121 7.877 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.378 -9.581 8.318 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.410 -11.111 5.732 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.658 -12.369 7.482 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.887 -11.736 6.405 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.484 -9.683 5.084 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.017 -8.750 5.294 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.242 -8.705 6.551 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.556 -11.439 8.769 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.323 -9.858 7.985 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.075 -10.502 9.078 1.00 0.00 H new ATOM 549 N GLY A 34 -2.829 -9.538 6.129 1.00 0.00 N ATOM 550 CA GLY A 34 -3.837 -8.680 5.530 1.00 0.00 C ATOM 551 C GLY A 34 -4.728 -8.049 6.601 1.00 0.00 C ATOM 552 O GLY A 34 -4.957 -6.840 6.592 1.00 0.00 O ATOM 0 H GLY A 34 -2.875 -10.516 5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.353 -7.896 4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.449 -9.260 4.839 1.00 0.00 H new ATOM 556 N LEU A 35 -5.208 -8.896 7.500 1.00 0.00 N ATOM 557 CA LEU A 35 -6.069 -8.437 8.577 1.00 0.00 C ATOM 558 C LEU A 35 -5.448 -7.200 9.229 1.00 0.00 C ATOM 559 O LEU A 35 -6.040 -6.122 9.213 1.00 0.00 O ATOM 560 CB LEU A 35 -6.350 -9.574 9.561 1.00 0.00 C ATOM 561 CG LEU A 35 -6.821 -9.155 10.954 1.00 0.00 C ATOM 562 CD1 LEU A 35 -8.329 -8.900 10.970 1.00 0.00 C ATOM 563 CD2 LEU A 35 -6.403 -10.183 12.007 1.00 0.00 C ATOM 0 H LEU A 35 -5.017 -9.898 7.505 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.041 -8.138 8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.106 -10.227 9.125 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.442 -10.167 9.669 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.333 -8.215 11.210 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.637 -8.604 11.973 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.571 -8.104 10.266 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.855 -9.811 10.683 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.751 -9.860 12.988 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.843 -11.150 11.766 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.317 -10.272 12.018 1.00 0.00 H new ATOM 575 N GLY A 36 -4.262 -7.396 9.786 1.00 0.00 N ATOM 576 CA GLY A 36 -3.554 -6.310 10.442 1.00 0.00 C ATOM 577 C GLY A 36 -3.497 -5.072 9.544 1.00 0.00 C ATOM 578 O GLY A 36 -4.031 -4.021 9.895 1.00 0.00 O ATOM 0 H GLY A 36 -3.773 -8.291 9.796 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.051 -6.061 11.380 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.542 -6.629 10.692 1.00 0.00 H new ATOM 582 N GLY A 37 -2.843 -5.237 8.404 1.00 0.00 N ATOM 583 CA GLY A 37 -2.709 -4.146 7.453 1.00 0.00 C ATOM 584 C GLY A 37 -4.073 -3.538 7.121 1.00 0.00 C ATOM 585 O GLY A 37 -4.152 -2.409 6.639 1.00 0.00 O ATOM 0 H GLY A 37 -2.400 -6.110 8.117 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.055 -3.378 7.865 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.237 -4.510 6.540 1.00 0.00 H new ATOM 589 N CYS A 38 -5.113 -4.312 7.392 1.00 0.00 N ATOM 590 CA CYS A 38 -6.469 -3.864 7.129 1.00 0.00 C ATOM 591 C CYS A 38 -6.885 -2.907 8.248 1.00 0.00 C ATOM 592 O CYS A 38 -7.462 -1.852 7.985 1.00 0.00 O ATOM 593 CB CYS A 38 -7.438 -5.040 6.994 1.00 0.00 C ATOM 594 SG CYS A 38 -8.889 -4.545 5.995 1.00 0.00 S ATOM 0 H CYS A 38 -5.043 -5.248 7.792 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.502 -3.340 6.174 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.934 -5.885 6.524 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.761 -5.370 7.981 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.704 -5.552 5.885 1.00 0.00 H new ATOM 600 N LEU A 39 -6.576 -3.309 9.472 1.00 0.00 N ATOM 601 CA LEU A 39 -6.911 -2.500 10.632 1.00 0.00 C ATOM 602 C LEU A 39 -6.122 -1.190 10.579 1.00 0.00 C ATOM 603 O LEU A 39 -6.587 -0.162 11.068 1.00 0.00 O ATOM 604 CB LEU A 39 -6.695 -3.297 11.920 1.00 0.00 C ATOM 605 CG LEU A 39 -7.747 -3.099 13.014 1.00 0.00 C ATOM 606 CD1 LEU A 39 -7.791 -1.641 13.475 1.00 0.00 C ATOM 607 CD2 LEU A 39 -9.118 -3.596 12.553 1.00 0.00 C ATOM 0 H LEU A 39 -6.097 -4.184 9.686 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.969 -2.236 10.621 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.658 -4.356 11.667 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.720 -3.032 12.329 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.460 -3.701 13.876 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.547 -1.528 14.252 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.817 -1.355 13.872 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.041 -1.000 12.630 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.847 -3.444 13.349 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.427 -3.041 11.667 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.059 -4.658 12.314 1.00 0.00 H new ATOM 619 N VAL A 40 -4.942 -1.271 9.983 1.00 0.00 N ATOM 620 CA VAL A 40 -4.084 -0.105 9.860 1.00 0.00 C ATOM 621 C VAL A 40 -4.588 0.776 8.715 1.00 0.00 C ATOM 622 O VAL A 40 -5.036 1.899 8.942 1.00 0.00 O ATOM 623 CB VAL A 40 -2.628 -0.542 9.682 1.00 0.00 C ATOM 624 CG1 VAL A 40 -1.729 0.657 9.374 1.00 0.00 C ATOM 625 CG2 VAL A 40 -2.129 -1.299 10.914 1.00 0.00 C ATOM 0 H VAL A 40 -4.560 -2.126 9.580 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.121 0.493 10.771 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.584 -1.221 8.830 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.700 0.319 9.252 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.064 1.137 8.454 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.781 1.371 10.196 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.092 -1.598 10.762 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.196 -0.653 11.790 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.743 -2.186 11.070 1.00 0.00 H new ATOM 635 N VAL A 41 -4.497 0.233 7.510 1.00 0.00 N ATOM 636 CA VAL A 41 -4.938 0.955 6.329 1.00 0.00 C ATOM 637 C VAL A 41 -6.331 1.535 6.581 1.00 0.00 C ATOM 638 O VAL A 41 -6.605 2.680 6.225 1.00 0.00 O ATOM 639 CB VAL A 41 -4.885 0.039 5.105 1.00 0.00 C ATOM 640 CG1 VAL A 41 -5.961 -1.046 5.185 1.00 0.00 C ATOM 641 CG2 VAL A 41 -5.013 0.845 3.811 1.00 0.00 C ATOM 0 H VAL A 41 -4.124 -0.699 7.326 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.270 1.791 6.122 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.913 -0.454 5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.901 -1.683 4.303 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.804 -1.649 6.079 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.945 -0.580 5.230 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.972 0.170 2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.964 1.378 3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.194 1.562 3.746 1.00 0.00 H new ATOM 651 N ALA A 42 -7.175 0.717 7.194 1.00 0.00 N ATOM 652 CA ALA A 42 -8.533 1.134 7.499 1.00 0.00 C ATOM 653 C ALA A 42 -8.500 2.205 8.592 1.00 0.00 C ATOM 654 O ALA A 42 -9.224 3.196 8.517 1.00 0.00 O ATOM 655 CB ALA A 42 -9.364 -0.086 7.902 1.00 0.00 C ATOM 0 H ALA A 42 -6.944 -0.232 7.487 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.006 1.574 6.621 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.383 0.227 8.131 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.380 -0.802 7.081 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.922 -0.553 8.782 1.00 0.00 H new ATOM 661 N ALA A 43 -7.653 1.967 9.583 1.00 0.00 N ATOM 662 CA ALA A 43 -7.517 2.898 10.690 1.00 0.00 C ATOM 663 C ALA A 43 -7.206 4.293 10.142 1.00 0.00 C ATOM 664 O ALA A 43 -7.798 5.280 10.576 1.00 0.00 O ATOM 665 CB ALA A 43 -6.438 2.395 11.650 1.00 0.00 C ATOM 0 H ALA A 43 -7.054 1.143 9.642 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.448 2.965 11.252 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.336 3.093 12.481 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.720 1.414 12.033 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.488 2.318 11.121 1.00 0.00 H new ATOM 671 N TYR A 44 -6.278 4.329 9.197 1.00 0.00 N ATOM 672 CA TYR A 44 -5.881 5.586 8.586 1.00 0.00 C ATOM 673 C TYR A 44 -7.028 6.186 7.771 1.00 0.00 C ATOM 674 O TYR A 44 -7.298 7.383 7.859 1.00 0.00 O ATOM 675 CB TYR A 44 -4.723 5.250 7.644 1.00 0.00 C ATOM 676 CG TYR A 44 -3.912 6.468 7.196 1.00 0.00 C ATOM 677 CD1 TYR A 44 -2.835 6.894 7.947 1.00 0.00 C ATOM 678 CD2 TYR A 44 -4.257 7.140 6.041 1.00 0.00 C ATOM 679 CE1 TYR A 44 -2.072 8.040 7.525 1.00 0.00 C ATOM 680 CE2 TYR A 44 -3.494 8.286 5.619 1.00 0.00 C ATOM 681 CZ TYR A 44 -2.439 8.679 6.382 1.00 0.00 C ATOM 682 OH TYR A 44 -1.718 9.761 5.983 1.00 0.00 O ATOM 0 H TYR A 44 -5.790 3.508 8.840 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.602 6.312 9.349 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.056 4.545 8.141 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.120 4.746 6.763 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.565 6.368 8.851 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -5.100 6.806 5.453 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.227 8.384 8.103 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.754 8.821 4.717 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.094 10.115 5.150 1.00 0.00 H new ATOM 692 N ARG A 45 -7.673 5.327 6.996 1.00 0.00 N ATOM 693 CA ARG A 45 -8.786 5.756 6.166 1.00 0.00 C ATOM 694 C ARG A 45 -9.851 6.446 7.021 1.00 0.00 C ATOM 695 O ARG A 45 -10.247 7.575 6.735 1.00 0.00 O ATOM 696 CB ARG A 45 -9.418 4.570 5.434 1.00 0.00 C ATOM 697 CG ARG A 45 -9.751 4.934 3.986 1.00 0.00 C ATOM 698 CD ARG A 45 -10.947 4.125 3.479 1.00 0.00 C ATOM 699 NE ARG A 45 -10.623 3.507 2.174 1.00 0.00 N ATOM 700 CZ ARG A 45 -9.926 2.360 2.032 1.00 0.00 C ATOM 701 NH1 ARG A 45 -9.473 1.695 3.116 1.00 0.00 N ATOM 702 NH2 ARG A 45 -9.694 1.898 0.817 1.00 0.00 N ATOM 0 H ARG A 45 -7.446 4.335 6.925 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.397 6.458 5.428 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.734 3.721 5.451 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.325 4.259 5.953 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.972 5.999 3.917 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.885 4.746 3.351 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.207 3.352 4.202 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.818 4.772 3.378 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.947 3.977 1.329 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.657 2.059 4.051 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.947 0.829 3.000 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.040 2.407 0.003 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.169 1.033 0.692 1.00 0.00 H new ATOM 716 N ILE A 46 -10.285 5.738 8.053 1.00 0.00 N ATOM 717 CA ILE A 46 -11.296 6.267 8.952 1.00 0.00 C ATOM 718 C ILE A 46 -10.824 7.612 9.509 1.00 0.00 C ATOM 719 O ILE A 46 -11.511 8.622 9.369 1.00 0.00 O ATOM 720 CB ILE A 46 -11.644 5.241 10.032 1.00 0.00 C ATOM 721 CG1 ILE A 46 -12.352 4.027 9.428 1.00 0.00 C ATOM 722 CG2 ILE A 46 -12.462 5.883 11.155 1.00 0.00 C ATOM 723 CD1 ILE A 46 -11.917 2.736 10.124 1.00 0.00 C ATOM 0 H ILE A 46 -9.955 4.802 8.287 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.225 6.453 8.413 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.715 4.883 10.475 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -13.431 4.148 9.520 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -12.128 3.964 8.363 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.696 5.132 11.910 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.885 6.688 11.611 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -13.388 6.287 10.746 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -12.435 1.888 9.675 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -10.841 2.606 10.009 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.165 2.793 11.184 1.00 0.00 H new ATOM 735 N TYR A 47 -9.654 7.580 10.131 1.00 0.00 N ATOM 736 CA TYR A 47 -9.081 8.783 10.710 1.00 0.00 C ATOM 737 C TYR A 47 -9.256 9.980 9.773 1.00 0.00 C ATOM 738 O TYR A 47 -9.686 11.050 10.201 1.00 0.00 O ATOM 739 CB TYR A 47 -7.588 8.499 10.882 1.00 0.00 C ATOM 740 CG TYR A 47 -7.144 8.359 12.339 1.00 0.00 C ATOM 741 CD1 TYR A 47 -7.589 7.295 13.097 1.00 0.00 C ATOM 742 CD2 TYR A 47 -6.300 9.298 12.897 1.00 0.00 C ATOM 743 CE1 TYR A 47 -7.172 7.163 14.469 1.00 0.00 C ATOM 744 CE2 TYR A 47 -5.883 9.166 14.268 1.00 0.00 C ATOM 745 CZ TYR A 47 -6.339 8.106 14.987 1.00 0.00 C ATOM 746 OH TYR A 47 -5.945 7.981 16.283 1.00 0.00 O ATOM 0 H TYR A 47 -9.088 6.740 10.246 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.571 9.026 11.653 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.339 7.582 10.348 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.020 9.304 10.416 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.250 6.561 12.661 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -5.953 10.132 12.305 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.512 6.335 15.073 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.222 9.893 14.716 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.351 8.724 16.518 1.00 0.00 H new ATOM 756 N ARG A 48 -8.915 9.758 8.512 1.00 0.00 N ATOM 757 CA ARG A 48 -9.029 10.805 7.511 1.00 0.00 C ATOM 758 C ARG A 48 -10.480 11.274 7.396 1.00 0.00 C ATOM 759 O ARG A 48 -10.771 12.455 7.579 1.00 0.00 O ATOM 760 CB ARG A 48 -8.549 10.314 6.143 1.00 0.00 C ATOM 761 CG ARG A 48 -7.025 10.394 6.035 1.00 0.00 C ATOM 762 CD ARG A 48 -6.599 11.579 5.165 1.00 0.00 C ATOM 763 NE ARG A 48 -5.899 12.587 5.991 1.00 0.00 N ATOM 764 CZ ARG A 48 -4.740 12.358 6.645 1.00 0.00 C ATOM 765 NH1 ARG A 48 -4.141 11.150 6.574 1.00 0.00 N ATOM 766 NH2 ARG A 48 -4.202 13.332 7.355 1.00 0.00 N ATOM 0 H ARG A 48 -8.560 8.869 8.161 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.399 11.636 7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -8.875 9.286 5.987 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.005 10.915 5.356 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.591 10.494 7.030 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.638 9.468 5.610 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.945 11.236 4.364 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.473 12.027 4.693 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.318 13.513 6.072 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.564 10.403 6.023 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.266 10.985 7.071 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.661 14.241 7.404 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.327 13.175 7.855 1.00 0.00 H new ATOM 780 N LEU A 49 -11.354 10.325 7.095 1.00 0.00 N ATOM 781 CA LEU A 49 -12.768 10.626 6.954 1.00 0.00 C ATOM 782 C LEU A 49 -13.191 11.595 8.060 1.00 0.00 C ATOM 783 O LEU A 49 -13.689 12.684 7.779 1.00 0.00 O ATOM 784 CB LEU A 49 -13.590 9.336 6.919 1.00 0.00 C ATOM 785 CG LEU A 49 -14.913 9.404 6.153 1.00 0.00 C ATOM 786 CD1 LEU A 49 -15.950 10.224 6.921 1.00 0.00 C ATOM 787 CD2 LEU A 49 -14.698 9.935 4.734 1.00 0.00 C ATOM 0 H LEU A 49 -11.110 9.346 6.945 1.00 0.00 H new ATOM 0 HA LEU A 49 -12.959 11.124 6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.977 8.550 6.477 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -13.802 9.036 7.945 1.00 0.00 H new ATOM 0 HG LEU A 49 -15.307 8.392 6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -16.881 10.256 6.354 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -16.132 9.763 7.892 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -15.578 11.238 7.065 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.654 9.973 4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -14.270 10.936 4.781 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.017 9.274 4.197 1.00 0.00 H new ATOM 799 N ARG A 50 -12.978 11.163 9.294 1.00 0.00 N ATOM 800 CA ARG A 50 -13.331 11.979 10.444 1.00 0.00 C ATOM 801 C ARG A 50 -13.012 13.450 10.169 1.00 0.00 C ATOM 802 O ARG A 50 -13.899 14.226 9.817 1.00 0.00 O ATOM 803 CB ARG A 50 -12.576 11.525 11.694 1.00 0.00 C ATOM 804 CG ARG A 50 -13.090 10.170 12.184 1.00 0.00 C ATOM 805 CD ARG A 50 -13.570 10.258 13.635 1.00 0.00 C ATOM 806 NE ARG A 50 -12.952 9.179 14.438 1.00 0.00 N ATOM 807 CZ ARG A 50 -11.685 9.213 14.902 1.00 0.00 C ATOM 808 NH1 ARG A 50 -10.889 10.272 14.646 1.00 0.00 N ATOM 809 NH2 ARG A 50 -11.236 8.194 15.611 1.00 0.00 N ATOM 0 H ARG A 50 -12.565 10.259 9.523 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.401 11.862 10.618 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.511 11.456 11.474 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -12.691 12.268 12.483 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.908 9.835 11.546 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.298 9.426 12.104 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.310 11.230 14.055 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.656 10.175 13.673 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.519 8.359 14.654 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.243 11.056 14.098 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.933 10.289 15.001 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.844 7.397 15.801 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.281 8.203 15.969 1.00 0.00 H new ATOM 1045 N ARG A 65 7.497 12.433 7.565 1.00 0.00 N ATOM 1046 CA ARG A 65 7.034 11.968 6.268 1.00 0.00 C ATOM 1047 C ARG A 65 5.949 10.903 6.442 1.00 0.00 C ATOM 1048 O ARG A 65 6.013 9.841 5.826 1.00 0.00 O ATOM 1049 CB ARG A 65 8.186 11.384 5.449 1.00 0.00 C ATOM 1050 CG ARG A 65 8.859 12.464 4.600 1.00 0.00 C ATOM 1051 CD ARG A 65 10.241 12.009 4.126 1.00 0.00 C ATOM 1052 NE ARG A 65 10.165 11.535 2.726 1.00 0.00 N ATOM 1053 CZ ARG A 65 11.104 10.764 2.137 1.00 0.00 C ATOM 1054 NH1 ARG A 65 12.199 10.373 2.822 1.00 0.00 N ATOM 1055 NH2 ARG A 65 10.935 10.399 0.879 1.00 0.00 N ATOM 0 HA ARG A 65 6.623 12.826 5.735 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.919 10.932 6.117 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.812 10.590 4.803 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.233 12.696 3.738 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.954 13.381 5.181 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.950 12.833 4.202 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.611 11.211 4.769 1.00 0.00 H new ATOM 0 HE ARG A 65 9.353 11.808 2.172 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.323 10.660 3.793 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.903 9.791 2.369 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.105 10.699 0.368 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.634 9.817 0.419 1.00 0.00 H new ATOM 1069 N VAL A 66 4.978 11.225 7.284 1.00 0.00 N ATOM 1070 CA VAL A 66 3.881 10.310 7.546 1.00 0.00 C ATOM 1071 C VAL A 66 3.046 10.143 6.275 1.00 0.00 C ATOM 1072 O VAL A 66 3.058 9.081 5.655 1.00 0.00 O ATOM 1073 CB VAL A 66 3.061 10.804 8.740 1.00 0.00 C ATOM 1074 CG1 VAL A 66 1.722 10.069 8.827 1.00 0.00 C ATOM 1075 CG2 VAL A 66 3.850 10.662 10.043 1.00 0.00 C ATOM 0 H VAL A 66 4.929 12.107 7.794 1.00 0.00 H new ATOM 0 HA VAL A 66 4.262 9.325 7.816 1.00 0.00 H new ATOM 0 HB VAL A 66 2.853 11.863 8.588 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.159 10.439 9.684 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.151 10.244 7.915 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.901 9.000 8.944 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.245 11.020 10.876 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.103 9.614 10.203 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.765 11.251 9.980 1.00 0.00 H new ATOM 1085 N ALA A 67 2.341 11.209 5.925 1.00 0.00 N ATOM 1086 CA ALA A 67 1.502 11.194 4.739 1.00 0.00 C ATOM 1087 C ALA A 67 2.280 10.574 3.577 1.00 0.00 C ATOM 1088 O ALA A 67 1.726 9.800 2.797 1.00 0.00 O ATOM 1089 CB ALA A 67 1.027 12.615 4.431 1.00 0.00 C ATOM 0 H ALA A 67 2.334 12.088 6.442 1.00 0.00 H new ATOM 0 HA ALA A 67 0.615 10.583 4.905 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.398 12.603 3.541 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.454 12.998 5.276 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.890 13.257 4.257 1.00 0.00 H new ATOM 1095 N ALA A 68 3.551 10.938 3.497 1.00 0.00 N ATOM 1096 CA ALA A 68 4.411 10.427 2.443 1.00 0.00 C ATOM 1097 C ALA A 68 4.460 8.900 2.525 1.00 0.00 C ATOM 1098 O ALA A 68 4.230 8.214 1.530 1.00 0.00 O ATOM 1099 CB ALA A 68 5.798 11.062 2.563 1.00 0.00 C ATOM 0 H ALA A 68 4.006 11.581 4.145 1.00 0.00 H new ATOM 0 HA ALA A 68 4.015 10.692 1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.443 10.679 1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.712 12.144 2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.228 10.816 3.534 1.00 0.00 H new ATOM 1105 N GLN A 69 4.760 8.413 3.720 1.00 0.00 N ATOM 1106 CA GLN A 69 4.842 6.980 3.945 1.00 0.00 C ATOM 1107 C GLN A 69 3.484 6.324 3.686 1.00 0.00 C ATOM 1108 O GLN A 69 3.345 5.518 2.767 1.00 0.00 O ATOM 1109 CB GLN A 69 5.337 6.674 5.359 1.00 0.00 C ATOM 1110 CG GLN A 69 6.847 6.423 5.369 1.00 0.00 C ATOM 1111 CD GLN A 69 7.477 6.922 6.671 1.00 0.00 C ATOM 1112 OE1 GLN A 69 6.953 7.787 7.352 1.00 0.00 O ATOM 1113 NE2 GLN A 69 8.628 6.329 6.976 1.00 0.00 N ATOM 0 H GLN A 69 4.949 8.985 4.543 1.00 0.00 H new ATOM 0 HA GLN A 69 5.565 6.563 3.244 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.099 7.507 6.020 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.817 5.799 5.749 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.043 5.357 5.251 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.309 6.928 4.520 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.011 5.611 6.360 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.128 6.592 7.825 1.00 0.00 H new ATOM 1122 N ALA A 70 2.517 6.694 4.512 1.00 0.00 N ATOM 1123 CA ALA A 70 1.175 6.151 4.384 1.00 0.00 C ATOM 1124 C ALA A 70 0.746 6.204 2.917 1.00 0.00 C ATOM 1125 O ALA A 70 -0.033 5.366 2.463 1.00 0.00 O ATOM 1126 CB ALA A 70 0.222 6.924 5.299 1.00 0.00 C ATOM 0 H ALA A 70 2.636 7.363 5.273 1.00 0.00 H new ATOM 0 HA ALA A 70 1.152 5.107 4.697 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.785 6.517 5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.554 6.830 6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.217 7.976 5.013 1.00 0.00 H new ATOM 1132 N CYS A 71 1.272 7.196 2.215 1.00 0.00 N ATOM 1133 CA CYS A 71 0.954 7.369 0.808 1.00 0.00 C ATOM 1134 C CYS A 71 1.579 6.211 0.028 1.00 0.00 C ATOM 1135 O CYS A 71 0.910 5.572 -0.783 1.00 0.00 O ATOM 1136 CB CYS A 71 1.422 8.728 0.284 1.00 0.00 C ATOM 1137 SG CYS A 71 0.098 9.973 0.500 1.00 0.00 S ATOM 0 H CYS A 71 1.917 7.889 2.595 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.128 7.355 0.674 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.319 9.043 0.817 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.689 8.648 -0.770 1.00 0.00 H new ATOM 0 HG CYS A 71 0.183 10.496 1.687 1.00 0.00 H new ATOM 1143 N ALA A 72 2.854 5.976 0.301 1.00 0.00 N ATOM 1144 CA ALA A 72 3.576 4.905 -0.365 1.00 0.00 C ATOM 1145 C ALA A 72 3.006 3.557 0.079 1.00 0.00 C ATOM 1146 O ALA A 72 2.367 2.860 -0.708 1.00 0.00 O ATOM 1147 CB ALA A 72 5.071 5.034 -0.064 1.00 0.00 C ATOM 0 H ALA A 72 3.405 6.509 0.974 1.00 0.00 H new ATOM 0 HA ALA A 72 3.453 4.974 -1.446 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.613 4.231 -0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.433 5.996 -0.426 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.233 4.967 1.012 1.00 0.00 H new ATOM 1153 N VAL A 73 3.257 3.230 1.338 1.00 0.00 N ATOM 1154 CA VAL A 73 2.777 1.978 1.896 1.00 0.00 C ATOM 1155 C VAL A 73 1.295 1.808 1.556 1.00 0.00 C ATOM 1156 O VAL A 73 0.823 0.689 1.361 1.00 0.00 O ATOM 1157 CB VAL A 73 3.053 1.935 3.400 1.00 0.00 C ATOM 1158 CG1 VAL A 73 4.553 1.817 3.679 1.00 0.00 C ATOM 1159 CG2 VAL A 73 2.459 3.158 4.102 1.00 0.00 C ATOM 0 H VAL A 73 3.787 3.811 1.988 1.00 0.00 H new ATOM 0 HA VAL A 73 3.311 1.135 1.457 1.00 0.00 H new ATOM 0 HB VAL A 73 2.566 1.048 3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.722 1.788 4.755 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.936 0.902 3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.071 2.676 3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.670 3.102 5.170 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.903 4.065 3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.381 3.179 3.945 1.00 0.00 H new ATOM 1169 N GLY A 74 0.602 2.936 1.495 1.00 0.00 N ATOM 1170 CA GLY A 74 -0.817 2.926 1.181 1.00 0.00 C ATOM 1171 C GLY A 74 -1.058 2.455 -0.255 1.00 0.00 C ATOM 1172 O GLY A 74 -1.762 1.471 -0.479 1.00 0.00 O ATOM 0 H GLY A 74 0.997 3.862 1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.342 2.270 1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.229 3.926 1.313 1.00 0.00 H new ATOM 1176 N ALA A 75 -0.462 3.180 -1.189 1.00 0.00 N ATOM 1177 CA ALA A 75 -0.603 2.849 -2.597 1.00 0.00 C ATOM 1178 C ALA A 75 -0.304 1.362 -2.799 1.00 0.00 C ATOM 1179 O ALA A 75 -1.148 0.618 -3.296 1.00 0.00 O ATOM 1180 CB ALA A 75 0.317 3.746 -3.427 1.00 0.00 C ATOM 0 H ALA A 75 0.120 3.996 -0.999 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.624 3.029 -2.933 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.211 3.498 -4.483 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.045 4.790 -3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.351 3.590 -3.119 1.00 0.00 H new ATOM 1186 N ILE A 76 0.899 0.974 -2.404 1.00 0.00 N ATOM 1187 CA ILE A 76 1.320 -0.411 -2.535 1.00 0.00 C ATOM 1188 C ILE A 76 0.262 -1.322 -1.910 1.00 0.00 C ATOM 1189 O ILE A 76 -0.186 -2.281 -2.538 1.00 0.00 O ATOM 1190 CB ILE A 76 2.720 -0.604 -1.950 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.261 -1.999 -2.269 1.00 0.00 C ATOM 1192 CG2 ILE A 76 2.732 -0.314 -0.448 1.00 0.00 C ATOM 1193 CD1 ILE A 76 3.652 -2.112 -3.744 1.00 0.00 C ATOM 0 H ILE A 76 1.596 1.594 -1.993 1.00 0.00 H new ATOM 0 HA ILE A 76 1.399 -0.687 -3.587 1.00 0.00 H new ATOM 0 HB ILE A 76 3.389 0.116 -2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.128 -2.209 -1.642 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.507 -2.749 -2.031 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.739 -0.459 -0.058 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.420 0.716 -0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.045 -0.992 0.059 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.033 -3.113 -3.944 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.778 -1.926 -4.368 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.424 -1.377 -3.973 1.00 0.00 H new ATOM 1205 N MET A 77 -0.107 -0.991 -0.682 1.00 0.00 N ATOM 1206 CA MET A 77 -1.105 -1.768 0.035 1.00 0.00 C ATOM 1207 C MET A 77 -2.365 -1.956 -0.811 1.00 0.00 C ATOM 1208 O MET A 77 -2.907 -3.058 -0.887 1.00 0.00 O ATOM 1209 CB MET A 77 -1.467 -1.054 1.339 1.00 0.00 C ATOM 1210 CG MET A 77 -0.671 -1.624 2.515 1.00 0.00 C ATOM 1211 SD MET A 77 -1.718 -1.755 3.955 1.00 0.00 S ATOM 1212 CE MET A 77 -2.345 -3.412 3.733 1.00 0.00 C ATOM 0 H MET A 77 0.267 -0.195 -0.165 1.00 0.00 H new ATOM 0 HA MET A 77 -0.686 -2.751 0.252 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.266 0.013 1.242 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.534 -1.161 1.532 1.00 0.00 H new ATOM 0 HG2 MET A 77 -0.273 -2.605 2.254 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.182 -0.981 2.733 1.00 0.00 H new ATOM 0 HE1 MET A 77 -3.381 -3.457 4.069 1.00 0.00 H new ATOM 0 HE2 MET A 77 -2.293 -3.682 2.678 1.00 0.00 H new ATOM 0 HE3 MET A 77 -1.744 -4.110 4.316 1.00 0.00 H new ATOM 1222 N LEU A 78 -2.795 -0.864 -1.426 1.00 0.00 N ATOM 1223 CA LEU A 78 -3.982 -0.895 -2.263 1.00 0.00 C ATOM 1224 C LEU A 78 -3.790 -1.929 -3.375 1.00 0.00 C ATOM 1225 O LEU A 78 -4.539 -2.901 -3.459 1.00 0.00 O ATOM 1226 CB LEU A 78 -4.311 0.507 -2.779 1.00 0.00 C ATOM 1227 CG LEU A 78 -5.412 1.257 -2.027 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -4.881 2.567 -1.441 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -6.632 1.483 -2.922 1.00 0.00 C ATOM 0 H LEU A 78 -2.342 0.048 -1.361 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.849 -1.208 -1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.402 1.107 -2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.603 0.428 -3.826 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.737 0.638 -1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.684 3.081 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.068 2.352 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.512 3.203 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.399 2.018 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.341 2.071 -3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.026 0.521 -3.250 1.00 0.00 H new ATOM 1241 N GLY A 79 -2.782 -1.685 -4.199 1.00 0.00 N ATOM 1242 CA GLY A 79 -2.481 -2.583 -5.301 1.00 0.00 C ATOM 1243 C GLY A 79 -2.427 -4.036 -4.825 1.00 0.00 C ATOM 1244 O GLY A 79 -3.190 -4.877 -5.298 1.00 0.00 O ATOM 0 H GLY A 79 -2.163 -0.878 -4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.239 -2.479 -6.077 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.526 -2.308 -5.749 1.00 0.00 H new ATOM 1248 N ALA A 80 -1.517 -4.287 -3.895 1.00 0.00 N ATOM 1249 CA ALA A 80 -1.353 -5.623 -3.350 1.00 0.00 C ATOM 1250 C ALA A 80 -2.716 -6.161 -2.909 1.00 0.00 C ATOM 1251 O ALA A 80 -3.247 -7.089 -3.516 1.00 0.00 O ATOM 1252 CB ALA A 80 -0.342 -5.586 -2.202 1.00 0.00 C ATOM 0 H ALA A 80 -0.886 -3.587 -3.505 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.961 -6.301 -4.108 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.219 -6.589 -1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.617 -5.225 -2.573 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.703 -4.917 -1.421 1.00 0.00 H new ATOM 1258 N VAL A 81 -3.243 -5.553 -1.855 1.00 0.00 N ATOM 1259 CA VAL A 81 -4.534 -5.959 -1.326 1.00 0.00 C ATOM 1260 C VAL A 81 -5.480 -6.272 -2.487 1.00 0.00 C ATOM 1261 O VAL A 81 -5.826 -7.430 -2.716 1.00 0.00 O ATOM 1262 CB VAL A 81 -5.076 -4.881 -0.386 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -6.515 -5.191 0.032 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -4.173 -4.716 0.838 1.00 0.00 C ATOM 0 H VAL A 81 -2.799 -4.783 -1.354 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.436 -6.868 -0.733 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.081 -3.936 -0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.876 -4.409 0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.150 -5.234 -0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.545 -6.151 0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.581 -3.944 1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.121 -5.659 1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.173 -4.427 0.516 1.00 0.00 H new ATOM 1274 N TYR A 82 -5.873 -5.219 -3.188 1.00 0.00 N ATOM 1275 CA TYR A 82 -6.774 -5.366 -4.319 1.00 0.00 C ATOM 1276 C TYR A 82 -6.462 -6.641 -5.105 1.00 0.00 C ATOM 1277 O TYR A 82 -7.355 -7.441 -5.378 1.00 0.00 O ATOM 1278 CB TYR A 82 -6.524 -4.153 -5.217 1.00 0.00 C ATOM 1279 CG TYR A 82 -7.643 -3.885 -6.226 1.00 0.00 C ATOM 1280 CD1 TYR A 82 -7.905 -4.800 -7.225 1.00 0.00 C ATOM 1281 CD2 TYR A 82 -8.391 -2.729 -6.136 1.00 0.00 C ATOM 1282 CE1 TYR A 82 -8.958 -4.548 -8.174 1.00 0.00 C ATOM 1283 CE2 TYR A 82 -9.444 -2.477 -7.086 1.00 0.00 C ATOM 1284 CZ TYR A 82 -9.675 -3.399 -8.058 1.00 0.00 C ATOM 1285 OH TYR A 82 -10.670 -3.161 -8.955 1.00 0.00 O ATOM 0 H TYR A 82 -5.584 -4.260 -2.995 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.808 -5.430 -3.981 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.394 -3.270 -4.591 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.589 -4.300 -5.757 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.320 -5.705 -7.295 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.187 -2.013 -5.353 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.173 -5.256 -8.961 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.037 -1.576 -7.027 1.00 0.00 H new ATOM 0 HH TYR A 82 -11.098 -2.303 -8.749 1.00 0.00 H new ATOM 1295 N THR A 83 -5.190 -6.790 -5.448 1.00 0.00 N ATOM 1296 CA THR A 83 -4.749 -7.954 -6.198 1.00 0.00 C ATOM 1297 C THR A 83 -5.146 -9.240 -5.469 1.00 0.00 C ATOM 1298 O THR A 83 -5.722 -10.146 -6.069 1.00 0.00 O ATOM 1299 CB THR A 83 -3.242 -7.826 -6.427 1.00 0.00 C ATOM 1300 OG1 THR A 83 -3.098 -6.574 -7.093 1.00 0.00 O ATOM 1301 CG2 THR A 83 -2.714 -8.848 -7.436 1.00 0.00 C ATOM 0 H THR A 83 -4.452 -6.124 -5.220 1.00 0.00 H new ATOM 0 HA THR A 83 -5.237 -8.005 -7.171 1.00 0.00 H new ATOM 0 HB THR A 83 -2.719 -7.949 -5.479 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.920 -5.871 -6.434 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.640 -8.714 -7.562 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.913 -9.856 -7.071 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.212 -8.704 -8.395 1.00 0.00 H new ATOM 1309 N MET A 84 -4.821 -9.278 -4.185 1.00 0.00 N ATOM 1310 CA MET A 84 -5.136 -10.438 -3.368 1.00 0.00 C ATOM 1311 C MET A 84 -6.649 -10.615 -3.227 1.00 0.00 C ATOM 1312 O MET A 84 -7.222 -11.551 -3.781 1.00 0.00 O ATOM 1313 CB MET A 84 -4.510 -10.270 -1.981 1.00 0.00 C ATOM 1314 CG MET A 84 -3.838 -11.566 -1.523 1.00 0.00 C ATOM 1315 SD MET A 84 -2.164 -11.637 -2.140 1.00 0.00 S ATOM 1316 CE MET A 84 -2.419 -12.605 -3.618 1.00 0.00 C ATOM 0 H MET A 84 -4.343 -8.525 -3.690 1.00 0.00 H new ATOM 0 HA MET A 84 -4.730 -11.324 -3.856 1.00 0.00 H new ATOM 0 HB2 MET A 84 -3.776 -9.464 -2.004 1.00 0.00 H new ATOM 0 HB3 MET A 84 -5.278 -9.981 -1.264 1.00 0.00 H new ATOM 0 HG2 MET A 84 -3.836 -11.619 -0.434 1.00 0.00 H new ATOM 0 HG3 MET A 84 -4.404 -12.425 -1.883 1.00 0.00 H new ATOM 0 HE1 MET A 84 -1.521 -13.184 -3.833 1.00 0.00 H new ATOM 0 HE2 MET A 84 -3.260 -13.282 -3.469 1.00 0.00 H new ATOM 0 HE3 MET A 84 -2.632 -11.941 -4.456 1.00 0.00 H new ATOM 1326 N TYR A 85 -7.253 -9.700 -2.483 1.00 0.00 N ATOM 1327 CA TYR A 85 -8.689 -9.744 -2.262 1.00 0.00 C ATOM 1328 C TYR A 85 -9.433 -10.065 -3.560 1.00 0.00 C ATOM 1329 O TYR A 85 -10.419 -10.801 -3.548 1.00 0.00 O ATOM 1330 CB TYR A 85 -9.086 -8.342 -1.794 1.00 0.00 C ATOM 1331 CG TYR A 85 -10.482 -8.266 -1.174 1.00 0.00 C ATOM 1332 CD1 TYR A 85 -10.647 -8.462 0.183 1.00 0.00 C ATOM 1333 CD2 TYR A 85 -11.578 -8.002 -1.971 1.00 0.00 C ATOM 1334 CE1 TYR A 85 -11.961 -8.390 0.766 1.00 0.00 C ATOM 1335 CE2 TYR A 85 -12.892 -7.930 -1.387 1.00 0.00 C ATOM 1336 CZ TYR A 85 -13.019 -8.128 -0.047 1.00 0.00 C ATOM 1337 OH TYR A 85 -14.261 -8.060 0.504 1.00 0.00 O ATOM 0 H TYR A 85 -6.775 -8.924 -2.026 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.943 -10.515 -1.535 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.356 -7.993 -1.064 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.039 -7.660 -2.643 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.790 -8.669 0.807 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -11.450 -7.850 -3.032 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -12.104 -8.541 1.826 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -13.758 -7.723 -1.999 1.00 0.00 H new ATOM 0 HH TYR A 85 -14.919 -7.865 -0.196 1.00 0.00 H new ATOM 1347 N SER A 86 -8.933 -9.498 -4.647 1.00 0.00 N ATOM 1348 CA SER A 86 -9.539 -9.714 -5.950 1.00 0.00 C ATOM 1349 C SER A 86 -9.260 -11.142 -6.426 1.00 0.00 C ATOM 1350 O SER A 86 -10.155 -11.817 -6.931 1.00 0.00 O ATOM 1351 CB SER A 86 -9.019 -8.703 -6.974 1.00 0.00 C ATOM 1352 OG SER A 86 -9.395 -7.369 -6.644 1.00 0.00 O ATOM 0 H SER A 86 -8.115 -8.889 -4.653 1.00 0.00 H new ATOM 0 HA SER A 86 -10.616 -9.573 -5.854 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.933 -8.770 -7.031 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.406 -8.955 -7.961 1.00 0.00 H new ATOM 0 HG SER A 86 -8.591 -6.821 -6.531 1.00 0.00 H new ATOM 1358 N ASP A 87 -8.015 -11.558 -6.247 1.00 0.00 N ATOM 1359 CA ASP A 87 -7.607 -12.893 -6.651 1.00 0.00 C ATOM 1360 C ASP A 87 -8.548 -13.922 -6.022 1.00 0.00 C ATOM 1361 O ASP A 87 -9.025 -14.830 -6.701 1.00 0.00 O ATOM 1362 CB ASP A 87 -6.185 -13.201 -6.179 1.00 0.00 C ATOM 1363 CG ASP A 87 -5.178 -13.481 -7.296 1.00 0.00 C ATOM 1364 OD1 ASP A 87 -5.488 -13.330 -8.487 1.00 0.00 O ATOM 1365 OD2 ASP A 87 -4.016 -13.875 -6.897 1.00 0.00 O ATOM 0 H ASP A 87 -7.275 -10.994 -5.828 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.644 -12.942 -7.739 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.824 -12.359 -5.588 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.218 -14.065 -5.515 1.00 0.00 H new ATOM 1370 N TYR A 88 -8.787 -13.746 -4.731 1.00 0.00 N ATOM 1371 CA TYR A 88 -9.663 -14.648 -4.002 1.00 0.00 C ATOM 1372 C TYR A 88 -10.872 -15.043 -4.851 1.00 0.00 C ATOM 1373 O TYR A 88 -11.414 -16.137 -4.696 1.00 0.00 O ATOM 1374 CB TYR A 88 -10.147 -13.868 -2.778 1.00 0.00 C ATOM 1375 CG TYR A 88 -9.603 -14.396 -1.449 1.00 0.00 C ATOM 1376 CD1 TYR A 88 -8.251 -14.323 -1.178 1.00 0.00 C ATOM 1377 CD2 TYR A 88 -10.464 -14.944 -0.520 1.00 0.00 C ATOM 1378 CE1 TYR A 88 -7.739 -14.820 0.072 1.00 0.00 C ATOM 1379 CE2 TYR A 88 -9.952 -15.441 0.731 1.00 0.00 C ATOM 1380 CZ TYR A 88 -8.615 -15.354 0.965 1.00 0.00 C ATOM 1381 OH TYR A 88 -8.131 -15.824 2.147 1.00 0.00 O ATOM 0 H TYR A 88 -8.389 -12.992 -4.171 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.134 -15.562 -3.733 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.857 -12.823 -2.888 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -11.236 -13.896 -2.750 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.577 -13.893 -1.904 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -11.522 -15.000 -0.731 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.684 -14.770 0.296 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -10.615 -15.873 1.466 1.00 0.00 H new ATOM 0 HH TYR A 88 -8.870 -16.176 2.686 1.00 0.00 H new ATOM 1391 N VAL A 89 -11.261 -14.131 -5.730 1.00 0.00 N ATOM 1392 CA VAL A 89 -12.397 -14.371 -6.604 1.00 0.00 C ATOM 1393 C VAL A 89 -12.263 -15.756 -7.239 1.00 0.00 C ATOM 1394 O VAL A 89 -12.876 -16.717 -6.776 1.00 0.00 O ATOM 1395 CB VAL A 89 -12.508 -13.247 -7.637 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -13.602 -13.553 -8.663 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -12.755 -11.899 -6.957 1.00 0.00 C ATOM 0 H VAL A 89 -10.810 -13.225 -5.856 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.326 -14.364 -6.034 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.558 -13.184 -8.168 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -13.661 -12.739 -9.386 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -13.365 -14.482 -9.181 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -14.560 -13.656 -8.154 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.830 -11.118 -7.714 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.684 -11.943 -6.388 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -11.928 -11.674 -6.284 1.00 0.00 H new