USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=14 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 Set 1.1: A 38 CYS SG : rot 87:sc= -0.719 USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot -28:sc= -2.44! USER MOD Single : A 18 SER OG : rot -14:sc= 0.827 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 82:sc= 0.103 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.128 K(o=-0.13,f=-1.6!) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -41:sc= 1 USER MOD Single : A 84 MET CE :methyl 178:sc= -1.33 (180deg=-1.35) USER MOD Single : A 86 SER OG : rot 100:sc= 0.94 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N CYS A 16 6.652 -2.179 -10.283 1.00 0.00 N ATOM 245 CA CYS A 16 5.578 -2.255 -9.307 1.00 0.00 C ATOM 246 C CYS A 16 6.023 -3.183 -8.175 1.00 0.00 C ATOM 247 O CYS A 16 5.806 -2.884 -7.001 1.00 0.00 O ATOM 248 CB CYS A 16 4.266 -2.719 -9.943 1.00 0.00 C ATOM 249 SG CYS A 16 4.553 -4.227 -10.940 1.00 0.00 S ATOM 0 HA CYS A 16 5.378 -1.262 -8.905 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.528 -2.921 -9.167 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.858 -1.929 -10.573 1.00 0.00 H new ATOM 0 HG CYS A 16 5.780 -4.237 -11.369 1.00 0.00 H new ATOM 255 N VAL A 17 6.636 -4.290 -8.566 1.00 0.00 N ATOM 256 CA VAL A 17 7.113 -5.263 -7.599 1.00 0.00 C ATOM 257 C VAL A 17 8.430 -5.864 -8.094 1.00 0.00 C ATOM 258 O VAL A 17 9.396 -5.959 -7.338 1.00 0.00 O ATOM 259 CB VAL A 17 6.034 -6.317 -7.342 1.00 0.00 C ATOM 260 CG1 VAL A 17 5.142 -5.913 -6.167 1.00 0.00 C ATOM 261 CG2 VAL A 17 5.203 -6.569 -8.601 1.00 0.00 C ATOM 0 H VAL A 17 6.813 -4.535 -9.540 1.00 0.00 H new ATOM 0 HA VAL A 17 7.314 -4.783 -6.641 1.00 0.00 H new ATOM 0 HB VAL A 17 6.533 -7.250 -7.078 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.384 -6.679 -6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.750 -5.809 -5.268 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.656 -4.963 -6.389 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.444 -7.322 -8.391 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.719 -5.642 -8.909 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.853 -6.923 -9.401 1.00 0.00 H new ATOM 271 N SER A 18 8.427 -6.255 -9.360 1.00 0.00 N ATOM 272 CA SER A 18 9.610 -6.845 -9.964 1.00 0.00 C ATOM 273 C SER A 18 10.095 -8.026 -9.121 1.00 0.00 C ATOM 274 O SER A 18 9.569 -8.278 -8.038 1.00 0.00 O ATOM 275 CB SER A 18 10.725 -5.808 -10.117 1.00 0.00 C ATOM 276 OG SER A 18 11.402 -5.568 -8.886 1.00 0.00 O ATOM 0 H SER A 18 7.624 -6.175 -9.984 1.00 0.00 H new ATOM 0 HA SER A 18 9.344 -7.203 -10.959 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.441 -6.152 -10.863 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.303 -4.874 -10.487 1.00 0.00 H new ATOM 0 HG SER A 18 10.879 -5.942 -8.147 1.00 0.00 H new ATOM 282 N GLU A 19 11.093 -8.719 -9.650 1.00 0.00 N ATOM 283 CA GLU A 19 11.654 -9.867 -8.960 1.00 0.00 C ATOM 284 C GLU A 19 12.102 -9.474 -7.551 1.00 0.00 C ATOM 285 O GLU A 19 12.250 -10.330 -6.681 1.00 0.00 O ATOM 286 CB GLU A 19 12.814 -10.471 -9.755 1.00 0.00 C ATOM 287 CG GLU A 19 13.857 -9.406 -10.098 1.00 0.00 C ATOM 288 CD GLU A 19 15.160 -9.647 -9.332 1.00 0.00 C ATOM 289 OE1 GLU A 19 15.115 -9.361 -8.076 1.00 0.00 O ATOM 290 OE2 GLU A 19 16.155 -10.087 -9.927 1.00 0.00 O ATOM 0 H GLU A 19 11.527 -8.507 -10.548 1.00 0.00 H new ATOM 0 HA GLU A 19 10.879 -10.629 -8.874 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.280 -11.268 -9.176 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.435 -10.923 -10.672 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.054 -9.417 -11.170 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.466 -8.418 -9.856 1.00 0.00 H new ATOM 297 N LYS A 20 12.304 -8.177 -7.370 1.00 0.00 N ATOM 298 CA LYS A 20 12.731 -7.659 -6.081 1.00 0.00 C ATOM 299 C LYS A 20 11.650 -7.945 -5.037 1.00 0.00 C ATOM 300 O LYS A 20 11.843 -8.774 -4.149 1.00 0.00 O ATOM 301 CB LYS A 20 13.101 -6.178 -6.194 1.00 0.00 C ATOM 302 CG LYS A 20 13.450 -5.594 -4.824 1.00 0.00 C ATOM 303 CD LYS A 20 13.253 -4.077 -4.808 1.00 0.00 C ATOM 304 CE LYS A 20 12.357 -3.652 -3.643 1.00 0.00 C ATOM 305 NZ LYS A 20 11.666 -2.382 -3.957 1.00 0.00 N ATOM 0 H LYS A 20 12.180 -7.470 -8.094 1.00 0.00 H new ATOM 0 HA LYS A 20 13.637 -8.166 -5.749 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.949 -6.062 -6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.269 -5.624 -6.628 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.824 -6.054 -4.059 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.484 -5.833 -4.576 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.221 -3.582 -4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.808 -3.755 -5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.623 -4.431 -3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.956 -3.533 -2.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.062 -2.108 -3.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.371 -1.637 -4.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.079 -2.507 -4.806 1.00 0.00 H new ATOM 319 N LEU A 21 10.536 -7.243 -5.178 1.00 0.00 N ATOM 320 CA LEU A 21 9.424 -7.411 -4.258 1.00 0.00 C ATOM 321 C LEU A 21 8.885 -8.838 -4.372 1.00 0.00 C ATOM 322 O LEU A 21 8.373 -9.391 -3.400 1.00 0.00 O ATOM 323 CB LEU A 21 8.364 -6.333 -4.496 1.00 0.00 C ATOM 324 CG LEU A 21 7.965 -5.503 -3.274 1.00 0.00 C ATOM 325 CD1 LEU A 21 7.582 -6.406 -2.100 1.00 0.00 C ATOM 326 CD2 LEU A 21 9.070 -4.513 -2.900 1.00 0.00 C ATOM 0 H LEU A 21 10.379 -6.556 -5.916 1.00 0.00 H new ATOM 0 HA LEU A 21 9.757 -7.276 -3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.730 -5.655 -5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.469 -6.813 -4.893 1.00 0.00 H new ATOM 0 HG LEU A 21 7.082 -4.918 -3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.303 -5.791 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.739 -7.036 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.431 -7.035 -1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.761 -3.935 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.985 -5.059 -2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.252 -3.838 -3.736 1.00 0.00 H new ATOM 338 N LEU A 22 9.019 -9.394 -5.567 1.00 0.00 N ATOM 339 CA LEU A 22 8.553 -10.747 -5.820 1.00 0.00 C ATOM 340 C LEU A 22 9.150 -11.692 -4.775 1.00 0.00 C ATOM 341 O LEU A 22 8.420 -12.395 -4.079 1.00 0.00 O ATOM 342 CB LEU A 22 8.854 -11.156 -7.263 1.00 0.00 C ATOM 343 CG LEU A 22 8.034 -12.325 -7.814 1.00 0.00 C ATOM 344 CD1 LEU A 22 8.335 -12.556 -9.296 1.00 0.00 C ATOM 345 CD2 LEU A 22 8.253 -13.589 -6.980 1.00 0.00 C ATOM 0 H LEU A 22 9.444 -8.932 -6.371 1.00 0.00 H new ATOM 0 HA LEU A 22 7.469 -10.802 -5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.694 -10.291 -7.906 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.911 -11.414 -7.334 1.00 0.00 H new ATOM 0 HG LEU A 22 6.978 -12.068 -7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.739 -13.392 -9.662 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.087 -11.658 -9.862 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.394 -12.783 -9.421 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.659 -14.405 -7.393 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.308 -13.861 -7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.948 -13.403 -5.950 1.00 0.00 H new ATOM 357 N ARG A 23 10.473 -11.677 -4.699 1.00 0.00 N ATOM 358 CA ARG A 23 11.177 -12.524 -3.751 1.00 0.00 C ATOM 359 C ARG A 23 10.882 -12.076 -2.318 1.00 0.00 C ATOM 360 O ARG A 23 10.581 -12.899 -1.456 1.00 0.00 O ATOM 361 CB ARG A 23 12.687 -12.482 -3.991 1.00 0.00 C ATOM 362 CG ARG A 23 13.378 -13.689 -3.351 1.00 0.00 C ATOM 363 CD ARG A 23 13.544 -13.489 -1.843 1.00 0.00 C ATOM 364 NE ARG A 23 14.824 -14.080 -1.393 1.00 0.00 N ATOM 365 CZ ARG A 23 15.316 -13.956 -0.142 1.00 0.00 C ATOM 366 NH1 ARG A 23 14.639 -13.260 0.795 1.00 0.00 N ATOM 367 NH2 ARG A 23 16.470 -14.526 0.151 1.00 0.00 N ATOM 0 H ARG A 23 11.075 -11.092 -5.278 1.00 0.00 H new ATOM 0 HA ARG A 23 10.826 -13.546 -3.895 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.888 -12.469 -5.062 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.099 -11.561 -3.578 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.794 -14.590 -3.540 1.00 0.00 H new ATOM 0 HG3 ARG A 23 14.354 -13.840 -3.811 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.521 -12.426 -1.604 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.713 -13.953 -1.312 1.00 0.00 H new ATOM 0 HE ARG A 23 15.368 -14.614 -2.070 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.748 -12.822 0.561 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.018 -13.171 1.738 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.976 -15.050 -0.563 1.00 0.00 H new ATOM 0 HH22 ARG A 23 16.856 -14.442 1.091 1.00 0.00 H new ATOM 381 N LYS A 24 10.980 -10.771 -2.108 1.00 0.00 N ATOM 382 CA LYS A 24 10.728 -10.203 -0.795 1.00 0.00 C ATOM 383 C LYS A 24 9.473 -10.845 -0.199 1.00 0.00 C ATOM 384 O LYS A 24 9.527 -11.441 0.876 1.00 0.00 O ATOM 385 CB LYS A 24 10.659 -8.677 -0.875 1.00 0.00 C ATOM 386 CG LYS A 24 11.653 -8.032 0.092 1.00 0.00 C ATOM 387 CD LYS A 24 11.036 -6.813 0.781 1.00 0.00 C ATOM 388 CE LYS A 24 12.058 -6.115 1.680 1.00 0.00 C ATOM 389 NZ LYS A 24 11.518 -4.830 2.179 1.00 0.00 N ATOM 0 H LYS A 24 11.231 -10.091 -2.826 1.00 0.00 H new ATOM 0 HA LYS A 24 11.553 -10.426 -0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.874 -8.353 -1.893 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.649 -8.342 -0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.961 -8.761 0.842 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.550 -7.733 -0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.669 -6.113 0.030 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.176 -7.123 1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.312 -6.760 2.521 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.979 -5.938 1.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.225 -4.369 2.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.298 -4.210 1.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.652 -5.007 2.727 1.00 0.00 H new ATOM 403 N THR A 25 8.373 -10.701 -0.923 1.00 0.00 N ATOM 404 CA THR A 25 7.107 -11.259 -0.479 1.00 0.00 C ATOM 405 C THR A 25 7.324 -12.630 0.163 1.00 0.00 C ATOM 406 O THR A 25 7.494 -13.628 -0.537 1.00 0.00 O ATOM 407 CB THR A 25 6.159 -11.293 -1.679 1.00 0.00 C ATOM 408 OG1 THR A 25 5.740 -9.939 -1.830 1.00 0.00 O ATOM 409 CG2 THR A 25 4.864 -12.053 -1.381 1.00 0.00 C ATOM 0 H THR A 25 8.332 -10.206 -1.814 1.00 0.00 H new ATOM 0 HA THR A 25 6.652 -10.641 0.295 1.00 0.00 H new ATOM 0 HB THR A 25 6.664 -11.755 -2.527 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.426 -9.437 -2.318 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.227 -12.047 -2.265 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.100 -13.082 -1.111 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.342 -11.572 -0.554 1.00 0.00 H new ATOM 417 N ARG A 26 7.313 -12.637 1.488 1.00 0.00 N ATOM 418 CA ARG A 26 7.507 -13.870 2.232 1.00 0.00 C ATOM 419 C ARG A 26 6.461 -14.908 1.820 1.00 0.00 C ATOM 420 O ARG A 26 5.649 -14.658 0.931 1.00 0.00 O ATOM 421 CB ARG A 26 7.406 -13.625 3.739 1.00 0.00 C ATOM 422 CG ARG A 26 8.674 -12.954 4.271 1.00 0.00 C ATOM 423 CD ARG A 26 8.336 -11.904 5.331 1.00 0.00 C ATOM 424 NE ARG A 26 8.216 -12.545 6.659 1.00 0.00 N ATOM 425 CZ ARG A 26 9.248 -13.104 7.326 1.00 0.00 C ATOM 426 NH1 ARG A 26 10.489 -13.104 6.793 1.00 0.00 N ATOM 427 NH2 ARG A 26 9.027 -13.649 8.508 1.00 0.00 N ATOM 0 H ARG A 26 7.173 -11.808 2.066 1.00 0.00 H new ATOM 0 HA ARG A 26 8.505 -14.243 2.002 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.541 -12.997 3.952 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.247 -14.572 4.255 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.336 -13.707 4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.214 -12.485 3.448 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.112 -11.138 5.356 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.402 -11.404 5.074 1.00 0.00 H new ATOM 0 HE ARG A 26 7.296 -12.566 7.098 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.652 -12.679 5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.263 -13.528 7.304 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.087 -13.644 8.904 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.796 -14.075 9.025 1.00 0.00 H new ATOM 441 N GLU A 27 6.515 -16.052 2.487 1.00 0.00 N ATOM 442 CA GLU A 27 5.583 -17.129 2.202 1.00 0.00 C ATOM 443 C GLU A 27 4.618 -17.321 3.374 1.00 0.00 C ATOM 444 O GLU A 27 4.438 -18.437 3.857 1.00 0.00 O ATOM 445 CB GLU A 27 6.327 -18.428 1.886 1.00 0.00 C ATOM 446 CG GLU A 27 6.545 -18.584 0.379 1.00 0.00 C ATOM 447 CD GLU A 27 5.273 -19.083 -0.309 1.00 0.00 C ATOM 448 OE1 GLU A 27 4.174 -18.958 0.251 1.00 0.00 O ATOM 449 OE2 GLU A 27 5.455 -19.616 -1.470 1.00 0.00 O ATOM 0 H GLU A 27 7.190 -16.256 3.224 1.00 0.00 H new ATOM 0 HA GLU A 27 5.003 -16.857 1.320 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.289 -18.434 2.399 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.759 -19.278 2.265 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.844 -17.628 -0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.360 -19.284 0.196 1.00 0.00 H new ATOM 456 N SER A 28 4.024 -16.215 3.796 1.00 0.00 N ATOM 457 CA SER A 28 3.082 -16.247 4.902 1.00 0.00 C ATOM 458 C SER A 28 1.666 -15.971 4.392 1.00 0.00 C ATOM 459 O SER A 28 1.484 -15.561 3.247 1.00 0.00 O ATOM 460 CB SER A 28 3.465 -15.232 5.981 1.00 0.00 C ATOM 461 OG SER A 28 4.705 -14.591 5.695 1.00 0.00 O ATOM 0 H SER A 28 4.177 -15.291 3.392 1.00 0.00 H new ATOM 0 HA SER A 28 3.113 -17.241 5.349 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.680 -14.481 6.067 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.531 -15.736 6.945 1.00 0.00 H new ATOM 0 HG SER A 28 4.913 -13.950 6.406 1.00 0.00 H new ATOM 467 N PRO A 29 0.674 -16.214 5.290 1.00 0.00 N ATOM 468 CA PRO A 29 -0.720 -15.996 4.942 1.00 0.00 C ATOM 469 C PRO A 29 -1.053 -14.503 4.925 1.00 0.00 C ATOM 470 O PRO A 29 -0.395 -13.708 5.594 1.00 0.00 O ATOM 471 CB PRO A 29 -1.510 -16.770 5.985 1.00 0.00 C ATOM 472 CG PRO A 29 -0.554 -17.006 7.142 1.00 0.00 C ATOM 473 CD PRO A 29 0.853 -16.700 6.655 1.00 0.00 C ATOM 0 HA PRO A 29 -0.964 -16.344 3.938 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.385 -16.206 6.310 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.872 -17.714 5.579 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.813 -16.368 7.987 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.622 -18.037 7.489 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.335 -15.950 7.282 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.483 -17.589 6.680 1.00 0.00 H new ATOM 481 N LEU A 30 -2.076 -14.167 4.152 1.00 0.00 N ATOM 482 CA LEU A 30 -2.505 -12.784 4.039 1.00 0.00 C ATOM 483 C LEU A 30 -3.725 -12.558 4.934 1.00 0.00 C ATOM 484 O LEU A 30 -4.041 -11.422 5.284 1.00 0.00 O ATOM 485 CB LEU A 30 -2.741 -12.414 2.573 1.00 0.00 C ATOM 486 CG LEU A 30 -3.218 -10.984 2.310 1.00 0.00 C ATOM 487 CD1 LEU A 30 -2.035 -10.053 2.036 1.00 0.00 C ATOM 488 CD2 LEU A 30 -4.249 -10.949 1.180 1.00 0.00 C ATOM 0 H LEU A 30 -2.620 -14.829 3.598 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.722 -12.113 4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.812 -12.573 2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.477 -13.103 2.159 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.714 -10.618 3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.402 -9.043 1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.370 -10.046 2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.490 -10.406 1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.572 -9.921 1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.801 -11.341 0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.110 -11.559 1.454 1.00 0.00 H new ATOM 500 N VAL A 31 -4.379 -13.658 5.278 1.00 0.00 N ATOM 501 CA VAL A 31 -5.557 -13.594 6.126 1.00 0.00 C ATOM 502 C VAL A 31 -5.247 -12.746 7.361 1.00 0.00 C ATOM 503 O VAL A 31 -5.991 -11.822 7.687 1.00 0.00 O ATOM 504 CB VAL A 31 -6.028 -15.008 6.474 1.00 0.00 C ATOM 505 CG1 VAL A 31 -6.408 -15.110 7.953 1.00 0.00 C ATOM 506 CG2 VAL A 31 -7.193 -15.433 5.578 1.00 0.00 C ATOM 0 H VAL A 31 -4.115 -14.599 4.985 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.380 -13.111 5.600 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.199 -15.692 6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.739 -16.125 8.174 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.542 -14.869 8.569 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.214 -14.409 8.171 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.509 -16.441 5.846 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.026 -14.744 5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.875 -15.417 4.536 1.00 0.00 H new ATOM 516 N PRO A 32 -4.118 -13.100 8.032 1.00 0.00 N ATOM 517 CA PRO A 32 -3.700 -12.381 9.224 1.00 0.00 C ATOM 518 C PRO A 32 -3.101 -11.021 8.862 1.00 0.00 C ATOM 519 O PRO A 32 -3.728 -9.985 9.079 1.00 0.00 O ATOM 520 CB PRO A 32 -2.707 -13.304 9.911 1.00 0.00 C ATOM 521 CG PRO A 32 -2.255 -14.294 8.850 1.00 0.00 C ATOM 522 CD PRO A 32 -3.213 -14.188 7.675 1.00 0.00 C ATOM 0 HA PRO A 32 -4.532 -12.147 9.888 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.861 -12.742 10.307 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.170 -13.818 10.753 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.236 -14.074 8.532 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.253 -15.308 9.250 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.681 -13.973 6.748 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.756 -15.121 7.521 1.00 0.00 H new ATOM 530 N ILE A 33 -1.894 -11.067 8.318 1.00 0.00 N ATOM 531 CA ILE A 33 -1.203 -9.851 7.924 1.00 0.00 C ATOM 532 C ILE A 33 -2.199 -8.894 7.267 1.00 0.00 C ATOM 533 O ILE A 33 -2.073 -7.677 7.396 1.00 0.00 O ATOM 534 CB ILE A 33 0.004 -10.182 7.044 1.00 0.00 C ATOM 535 CG1 ILE A 33 1.151 -10.755 7.879 1.00 0.00 C ATOM 536 CG2 ILE A 33 0.441 -8.961 6.232 1.00 0.00 C ATOM 537 CD1 ILE A 33 2.012 -9.637 8.469 1.00 0.00 C ATOM 0 H ILE A 33 -1.376 -11.928 8.141 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.800 -9.341 8.799 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.293 -10.953 6.333 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.748 -11.371 8.683 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.768 -11.405 7.258 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.301 -9.223 5.615 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.380 -8.637 5.592 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.714 -8.152 6.910 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.820 -10.072 9.058 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.433 -9.038 7.662 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.397 -9.003 9.108 1.00 0.00 H new ATOM 549 N GLY A 34 -3.167 -9.479 6.578 1.00 0.00 N ATOM 550 CA GLY A 34 -4.185 -8.693 5.901 1.00 0.00 C ATOM 551 C GLY A 34 -5.152 -8.065 6.906 1.00 0.00 C ATOM 552 O GLY A 34 -5.427 -6.868 6.844 1.00 0.00 O ATOM 0 H GLY A 34 -3.268 -10.489 6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.711 -7.910 5.309 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.737 -9.327 5.207 1.00 0.00 H new ATOM 556 N LEU A 35 -5.642 -8.902 7.810 1.00 0.00 N ATOM 557 CA LEU A 35 -6.572 -8.443 8.827 1.00 0.00 C ATOM 558 C LEU A 35 -5.956 -7.263 9.581 1.00 0.00 C ATOM 559 O LEU A 35 -6.568 -6.200 9.684 1.00 0.00 O ATOM 560 CB LEU A 35 -6.988 -9.603 9.735 1.00 0.00 C ATOM 561 CG LEU A 35 -8.492 -9.856 9.853 1.00 0.00 C ATOM 562 CD1 LEU A 35 -9.050 -10.456 8.561 1.00 0.00 C ATOM 563 CD2 LEU A 35 -8.807 -10.726 11.071 1.00 0.00 C ATOM 0 H LEU A 35 -5.412 -9.895 7.859 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.492 -8.082 8.367 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.514 -10.513 9.368 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.591 -9.417 10.733 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.989 -8.898 10.004 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.121 -10.626 8.672 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.875 -9.767 7.735 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.552 -11.403 8.355 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.883 -10.891 11.132 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.298 -11.685 10.975 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.465 -10.223 11.976 1.00 0.00 H new ATOM 575 N GLY A 36 -4.754 -7.489 10.089 1.00 0.00 N ATOM 576 CA GLY A 36 -4.049 -6.457 10.830 1.00 0.00 C ATOM 577 C GLY A 36 -3.852 -5.204 9.974 1.00 0.00 C ATOM 578 O GLY A 36 -4.408 -4.149 10.276 1.00 0.00 O ATOM 0 H GLY A 36 -4.250 -8.372 10.002 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.610 -6.203 11.729 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.080 -6.836 11.155 1.00 0.00 H new ATOM 582 N GLY A 37 -3.060 -5.362 8.924 1.00 0.00 N ATOM 583 CA GLY A 37 -2.784 -4.257 8.022 1.00 0.00 C ATOM 584 C GLY A 37 -4.081 -3.603 7.542 1.00 0.00 C ATOM 585 O GLY A 37 -4.072 -2.463 7.082 1.00 0.00 O ATOM 0 H GLY A 37 -2.601 -6.239 8.678 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.165 -3.516 8.528 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.215 -4.616 7.165 1.00 0.00 H new ATOM 589 N CYS A 38 -5.165 -4.355 7.665 1.00 0.00 N ATOM 590 CA CYS A 38 -6.468 -3.863 7.249 1.00 0.00 C ATOM 591 C CYS A 38 -6.996 -2.923 8.335 1.00 0.00 C ATOM 592 O CYS A 38 -7.542 -1.863 8.032 1.00 0.00 O ATOM 593 CB CYS A 38 -7.441 -5.009 6.964 1.00 0.00 C ATOM 594 SG CYS A 38 -7.312 -5.518 5.211 1.00 0.00 S ATOM 0 H CYS A 38 -5.168 -5.301 8.047 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.370 -3.315 6.312 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.219 -5.855 7.614 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.461 -4.695 7.186 1.00 0.00 H new ATOM 0 HG CYS A 38 -6.368 -6.402 5.084 1.00 0.00 H new ATOM 600 N LEU A 39 -6.815 -3.345 9.578 1.00 0.00 N ATOM 601 CA LEU A 39 -7.266 -2.555 10.710 1.00 0.00 C ATOM 602 C LEU A 39 -6.450 -1.262 10.781 1.00 0.00 C ATOM 603 O LEU A 39 -6.948 -0.234 11.239 1.00 0.00 O ATOM 604 CB LEU A 39 -7.218 -3.383 11.995 1.00 0.00 C ATOM 605 CG LEU A 39 -7.867 -2.749 13.227 1.00 0.00 C ATOM 606 CD1 LEU A 39 -9.197 -3.429 13.558 1.00 0.00 C ATOM 607 CD2 LEU A 39 -6.907 -2.758 14.418 1.00 0.00 C ATOM 0 H LEU A 39 -6.362 -4.225 9.826 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.310 -2.268 10.582 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.704 -4.340 11.805 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.175 -3.596 12.228 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.087 -1.706 12.998 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.637 -2.959 14.438 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.878 -3.327 12.713 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.025 -4.486 13.759 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.393 -2.302 15.280 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.633 -3.786 14.657 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.010 -2.193 14.166 1.00 0.00 H new ATOM 619 N VAL A 40 -5.211 -1.356 10.322 1.00 0.00 N ATOM 620 CA VAL A 40 -4.322 -0.207 10.328 1.00 0.00 C ATOM 621 C VAL A 40 -4.724 0.750 9.204 1.00 0.00 C ATOM 622 O VAL A 40 -5.130 1.882 9.463 1.00 0.00 O ATOM 623 CB VAL A 40 -2.867 -0.670 10.227 1.00 0.00 C ATOM 624 CG1 VAL A 40 -1.910 0.523 10.239 1.00 0.00 C ATOM 625 CG2 VAL A 40 -2.527 -1.657 11.346 1.00 0.00 C ATOM 0 H VAL A 40 -4.802 -2.210 9.943 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.411 0.339 11.267 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.745 -1.187 9.275 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.883 0.166 10.166 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.129 1.174 9.392 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.035 1.081 11.167 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.487 -1.970 11.251 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.674 -1.176 12.313 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.177 -2.529 11.272 1.00 0.00 H new ATOM 635 N VAL A 41 -4.597 0.260 7.980 1.00 0.00 N ATOM 636 CA VAL A 41 -4.942 1.057 6.815 1.00 0.00 C ATOM 637 C VAL A 41 -6.356 1.615 6.985 1.00 0.00 C ATOM 638 O VAL A 41 -6.610 2.778 6.676 1.00 0.00 O ATOM 639 CB VAL A 41 -4.778 0.223 5.543 1.00 0.00 C ATOM 640 CG1 VAL A 41 -3.312 -0.154 5.320 1.00 0.00 C ATOM 641 CG2 VAL A 41 -5.664 -1.024 5.586 1.00 0.00 C ATOM 0 H VAL A 41 -4.260 -0.679 7.769 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.266 1.907 6.720 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.100 0.833 4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.223 -0.746 4.409 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.714 0.752 5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.953 -0.737 6.168 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.528 -1.599 4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.388 -1.637 6.444 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.708 -0.725 5.675 1.00 0.00 H new ATOM 651 N ALA A 42 -7.241 0.760 7.477 1.00 0.00 N ATOM 652 CA ALA A 42 -8.623 1.153 7.693 1.00 0.00 C ATOM 653 C ALA A 42 -8.680 2.223 8.785 1.00 0.00 C ATOM 654 O ALA A 42 -9.431 3.191 8.672 1.00 0.00 O ATOM 655 CB ALA A 42 -9.456 -0.081 8.042 1.00 0.00 C ATOM 0 H ALA A 42 -7.027 -0.204 7.732 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.045 1.585 6.786 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.493 0.214 8.204 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.406 -0.797 7.222 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.063 -0.540 8.949 1.00 0.00 H new ATOM 661 N ALA A 43 -7.875 2.014 9.816 1.00 0.00 N ATOM 662 CA ALA A 43 -7.824 2.949 10.928 1.00 0.00 C ATOM 663 C ALA A 43 -7.503 4.348 10.397 1.00 0.00 C ATOM 664 O ALA A 43 -8.243 5.297 10.651 1.00 0.00 O ATOM 665 CB ALA A 43 -6.799 2.465 11.955 1.00 0.00 C ATOM 0 H ALA A 43 -7.252 1.211 9.905 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.789 3.001 11.431 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.761 3.166 12.789 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.089 1.480 12.322 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.816 2.403 11.487 1.00 0.00 H new ATOM 671 N TYR A 44 -6.398 4.431 9.671 1.00 0.00 N ATOM 672 CA TYR A 44 -5.969 5.698 9.103 1.00 0.00 C ATOM 673 C TYR A 44 -7.045 6.279 8.184 1.00 0.00 C ATOM 674 O TYR A 44 -7.273 7.488 8.174 1.00 0.00 O ATOM 675 CB TYR A 44 -4.721 5.388 8.275 1.00 0.00 C ATOM 676 CG TYR A 44 -3.406 5.602 9.028 1.00 0.00 C ATOM 677 CD1 TYR A 44 -3.167 4.923 10.206 1.00 0.00 C ATOM 678 CD2 TYR A 44 -2.459 6.474 8.530 1.00 0.00 C ATOM 679 CE1 TYR A 44 -1.929 5.124 10.914 1.00 0.00 C ATOM 680 CE2 TYR A 44 -1.222 6.675 9.239 1.00 0.00 C ATOM 681 CZ TYR A 44 -1.018 5.990 10.396 1.00 0.00 C ATOM 682 OH TYR A 44 0.151 6.180 11.065 1.00 0.00 O ATOM 0 H TYR A 44 -5.787 3.641 9.463 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.777 6.426 9.891 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.770 4.353 7.937 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.724 6.015 7.384 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.908 4.241 10.597 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.646 7.006 7.609 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.729 4.598 11.836 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.473 7.355 8.860 1.00 0.00 H new ATOM 0 HH TYR A 44 0.706 6.824 10.578 1.00 0.00 H new ATOM 692 N ARG A 45 -7.680 5.390 7.433 1.00 0.00 N ATOM 693 CA ARG A 45 -8.726 5.799 6.512 1.00 0.00 C ATOM 694 C ARG A 45 -9.834 6.540 7.263 1.00 0.00 C ATOM 695 O ARG A 45 -10.119 7.700 6.969 1.00 0.00 O ATOM 696 CB ARG A 45 -9.329 4.591 5.792 1.00 0.00 C ATOM 697 CG ARG A 45 -10.149 5.030 4.577 1.00 0.00 C ATOM 698 CD ARG A 45 -10.579 3.824 3.740 1.00 0.00 C ATOM 699 NE ARG A 45 -9.572 3.553 2.689 1.00 0.00 N ATOM 700 CZ ARG A 45 -9.792 2.762 1.617 1.00 0.00 C ATOM 701 NH1 ARG A 45 -10.986 2.157 1.445 1.00 0.00 N ATOM 702 NH2 ARG A 45 -8.821 2.590 0.740 1.00 0.00 N ATOM 0 H ARG A 45 -7.490 4.388 7.444 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.276 6.462 5.773 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.533 3.918 5.474 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.963 4.032 6.480 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.030 5.580 4.908 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.560 5.711 3.963 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.694 2.949 4.380 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.550 4.015 3.284 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.655 3.991 2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.731 2.296 2.128 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.143 1.561 0.632 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.922 3.051 0.878 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.970 1.996 -0.076 1.00 0.00 H new ATOM 716 N ILE A 46 -10.429 5.841 8.219 1.00 0.00 N ATOM 717 CA ILE A 46 -11.499 6.418 9.014 1.00 0.00 C ATOM 718 C ILE A 46 -10.979 7.666 9.731 1.00 0.00 C ATOM 719 O ILE A 46 -11.742 8.589 10.011 1.00 0.00 O ATOM 720 CB ILE A 46 -12.092 5.369 9.957 1.00 0.00 C ATOM 721 CG1 ILE A 46 -13.608 5.536 10.078 1.00 0.00 C ATOM 722 CG2 ILE A 46 -11.400 5.405 11.321 1.00 0.00 C ATOM 723 CD1 ILE A 46 -13.967 6.930 10.597 1.00 0.00 C ATOM 0 H ILE A 46 -10.190 4.879 8.461 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.321 6.737 8.373 1.00 0.00 H new ATOM 0 HB ILE A 46 -11.910 4.383 9.530 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -14.074 5.375 9.106 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -14.008 4.779 10.752 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.840 4.650 11.972 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.337 5.201 11.195 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.529 6.390 11.769 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -15.050 7.022 10.674 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -13.520 7.079 11.580 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.587 7.684 9.908 1.00 0.00 H new ATOM 735 N TYR A 47 -9.683 7.654 10.007 1.00 0.00 N ATOM 736 CA TYR A 47 -9.052 8.773 10.686 1.00 0.00 C ATOM 737 C TYR A 47 -9.217 10.065 9.883 1.00 0.00 C ATOM 738 O TYR A 47 -9.831 11.020 10.356 1.00 0.00 O ATOM 739 CB TYR A 47 -7.564 8.428 10.775 1.00 0.00 C ATOM 740 CG TYR A 47 -6.877 8.958 12.035 1.00 0.00 C ATOM 741 CD1 TYR A 47 -7.216 8.450 13.272 1.00 0.00 C ATOM 742 CD2 TYR A 47 -5.917 9.945 11.934 1.00 0.00 C ATOM 743 CE1 TYR A 47 -6.569 8.949 14.458 1.00 0.00 C ATOM 744 CE2 TYR A 47 -5.270 10.444 13.120 1.00 0.00 C ATOM 745 CZ TYR A 47 -5.628 9.921 14.323 1.00 0.00 C ATOM 746 OH TYR A 47 -5.017 10.393 15.443 1.00 0.00 O ATOM 0 H TYR A 47 -9.053 6.887 9.773 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.503 8.932 11.665 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.450 7.345 10.740 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.055 8.831 9.899 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.967 7.678 13.351 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -5.651 10.343 10.966 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.825 8.560 15.432 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.518 11.216 13.055 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.367 11.083 15.195 1.00 0.00 H new ATOM 756 N ARG A 48 -8.657 10.053 8.683 1.00 0.00 N ATOM 757 CA ARG A 48 -8.734 11.212 7.809 1.00 0.00 C ATOM 758 C ARG A 48 -10.189 11.497 7.433 1.00 0.00 C ATOM 759 O ARG A 48 -10.614 12.651 7.413 1.00 0.00 O ATOM 760 CB ARG A 48 -7.917 10.996 6.534 1.00 0.00 C ATOM 761 CG ARG A 48 -6.619 11.806 6.570 1.00 0.00 C ATOM 762 CD ARG A 48 -5.459 10.960 7.099 1.00 0.00 C ATOM 763 NE ARG A 48 -4.793 10.257 5.980 1.00 0.00 N ATOM 764 CZ ARG A 48 -4.155 10.882 4.967 1.00 0.00 C ATOM 765 NH1 ARG A 48 -4.093 12.230 4.925 1.00 0.00 N ATOM 766 NH2 ARG A 48 -3.595 10.155 4.019 1.00 0.00 N ATOM 0 H ARG A 48 -8.148 9.259 8.295 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.322 12.064 8.350 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.686 9.937 6.421 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.508 11.288 5.666 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.384 12.167 5.569 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.751 12.684 7.202 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.742 11.596 7.618 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.828 10.236 7.826 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.817 9.237 5.973 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.530 12.784 5.662 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.609 12.695 4.157 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.648 9.137 4.058 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.109 10.611 3.247 1.00 0.00 H new ATOM 780 N LEU A 49 -10.912 10.425 7.143 1.00 0.00 N ATOM 781 CA LEU A 49 -12.311 10.546 6.768 1.00 0.00 C ATOM 782 C LEU A 49 -13.018 11.486 7.746 1.00 0.00 C ATOM 783 O LEU A 49 -13.446 12.575 7.366 1.00 0.00 O ATOM 784 CB LEU A 49 -12.960 9.164 6.666 1.00 0.00 C ATOM 785 CG LEU A 49 -13.622 8.830 5.328 1.00 0.00 C ATOM 786 CD1 LEU A 49 -13.232 7.427 4.858 1.00 0.00 C ATOM 787 CD2 LEU A 49 -15.139 9.007 5.408 1.00 0.00 C ATOM 0 H LEU A 49 -10.556 9.469 7.160 1.00 0.00 H new ATOM 0 HA LEU A 49 -12.402 10.990 5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.198 8.411 6.870 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -13.711 9.078 7.451 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.255 9.533 4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -13.716 7.215 3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -12.150 7.372 4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -13.551 6.693 5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.585 8.763 4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.543 8.344 6.173 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.372 10.041 5.664 1.00 0.00 H new ATOM 799 N ARG A 50 -13.118 11.032 8.986 1.00 0.00 N ATOM 800 CA ARG A 50 -13.766 11.819 10.021 1.00 0.00 C ATOM 801 C ARG A 50 -12.908 13.036 10.377 1.00 0.00 C ATOM 802 O ARG A 50 -11.735 12.894 10.719 1.00 0.00 O ATOM 803 CB ARG A 50 -14.002 10.984 11.281 1.00 0.00 C ATOM 804 CG ARG A 50 -15.314 10.203 11.183 1.00 0.00 C ATOM 805 CD ARG A 50 -15.587 9.425 12.472 1.00 0.00 C ATOM 806 NE ARG A 50 -16.258 10.300 13.459 1.00 0.00 N ATOM 807 CZ ARG A 50 -15.605 11.080 14.346 1.00 0.00 C ATOM 808 NH1 ARG A 50 -14.256 11.100 14.378 1.00 0.00 N ATOM 809 NH2 ARG A 50 -16.306 11.823 15.183 1.00 0.00 N ATOM 0 H ARG A 50 -12.761 10.129 9.298 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.729 12.150 9.633 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.172 10.292 11.424 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.027 11.636 12.154 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -16.137 10.891 10.988 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.269 9.513 10.340 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.212 8.558 12.258 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.651 9.049 12.885 1.00 0.00 H new ATOM 0 HE ARG A 50 -17.278 10.315 13.470 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.722 10.523 13.729 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -13.771 11.692 15.052 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.325 11.802 15.153 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.828 12.418 15.860 1.00 0.00 H new ATOM 1045 N ARG A 65 5.693 13.808 5.642 1.00 0.00 N ATOM 1046 CA ARG A 65 6.593 12.686 5.438 1.00 0.00 C ATOM 1047 C ARG A 65 5.899 11.374 5.808 1.00 0.00 C ATOM 1048 O ARG A 65 6.010 10.384 5.087 1.00 0.00 O ATOM 1049 CB ARG A 65 7.863 12.839 6.278 1.00 0.00 C ATOM 1050 CG ARG A 65 9.089 12.335 5.514 1.00 0.00 C ATOM 1051 CD ARG A 65 10.178 13.409 5.456 1.00 0.00 C ATOM 1052 NE ARG A 65 10.288 13.944 4.081 1.00 0.00 N ATOM 1053 CZ ARG A 65 11.031 15.020 3.745 1.00 0.00 C ATOM 1054 NH1 ARG A 65 11.736 15.686 4.684 1.00 0.00 N ATOM 1055 NH2 ARG A 65 11.057 15.411 2.484 1.00 0.00 N ATOM 0 HA ARG A 65 6.869 12.669 4.384 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.002 13.886 6.546 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.757 12.283 7.209 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.481 11.440 5.998 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.800 12.050 4.502 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.943 14.215 6.151 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.133 12.987 5.769 1.00 0.00 H new ATOM 0 HE ARG A 65 9.770 13.470 3.341 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.710 15.377 5.656 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.295 16.498 4.422 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.521 14.902 1.781 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.613 16.222 2.213 1.00 0.00 H new ATOM 1069 N VAL A 66 5.198 11.410 6.932 1.00 0.00 N ATOM 1070 CA VAL A 66 4.486 10.235 7.407 1.00 0.00 C ATOM 1071 C VAL A 66 3.344 9.911 6.441 1.00 0.00 C ATOM 1072 O VAL A 66 3.309 8.829 5.857 1.00 0.00 O ATOM 1073 CB VAL A 66 4.008 10.458 8.843 1.00 0.00 C ATOM 1074 CG1 VAL A 66 2.982 9.399 9.250 1.00 0.00 C ATOM 1075 CG2 VAL A 66 5.188 10.482 9.816 1.00 0.00 C ATOM 0 H VAL A 66 5.108 12.233 7.527 1.00 0.00 H new ATOM 0 HA VAL A 66 5.149 9.370 7.429 1.00 0.00 H new ATOM 0 HB VAL A 66 3.519 11.431 8.886 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.659 9.581 10.275 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.121 9.451 8.583 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.434 8.409 9.182 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.821 10.642 10.830 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.718 9.531 9.768 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.867 11.290 9.544 1.00 0.00 H new ATOM 1085 N ALA A 67 2.439 10.869 6.301 1.00 0.00 N ATOM 1086 CA ALA A 67 1.300 10.699 5.416 1.00 0.00 C ATOM 1087 C ALA A 67 1.799 10.372 4.007 1.00 0.00 C ATOM 1088 O ALA A 67 1.292 9.455 3.362 1.00 0.00 O ATOM 1089 CB ALA A 67 0.434 11.960 5.450 1.00 0.00 C ATOM 0 H ALA A 67 2.472 11.766 6.786 1.00 0.00 H new ATOM 0 HA ALA A 67 0.678 9.867 5.747 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.421 11.832 4.786 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.081 12.132 6.467 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.024 12.816 5.122 1.00 0.00 H new ATOM 1095 N ALA A 68 2.786 11.141 3.570 1.00 0.00 N ATOM 1096 CA ALA A 68 3.358 10.945 2.249 1.00 0.00 C ATOM 1097 C ALA A 68 3.723 9.470 2.070 1.00 0.00 C ATOM 1098 O ALA A 68 3.206 8.803 1.175 1.00 0.00 O ATOM 1099 CB ALA A 68 4.564 11.869 2.073 1.00 0.00 C ATOM 0 H ALA A 68 3.204 11.901 4.107 1.00 0.00 H new ATOM 0 HA ALA A 68 2.634 11.202 1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.993 11.722 1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.247 12.906 2.181 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.313 11.638 2.831 1.00 0.00 H new ATOM 1105 N GLN A 69 4.612 9.004 2.936 1.00 0.00 N ATOM 1106 CA GLN A 69 5.052 7.620 2.885 1.00 0.00 C ATOM 1107 C GLN A 69 3.847 6.678 2.919 1.00 0.00 C ATOM 1108 O GLN A 69 3.628 5.909 1.984 1.00 0.00 O ATOM 1109 CB GLN A 69 6.022 7.311 4.026 1.00 0.00 C ATOM 1110 CG GLN A 69 7.299 6.654 3.498 1.00 0.00 C ATOM 1111 CD GLN A 69 8.349 7.707 3.139 1.00 0.00 C ATOM 1112 OE1 GLN A 69 8.419 8.776 3.723 1.00 0.00 O ATOM 1113 NE2 GLN A 69 9.159 7.347 2.147 1.00 0.00 N ATOM 0 H GLN A 69 5.039 9.560 3.677 1.00 0.00 H new ATOM 0 HA GLN A 69 5.584 7.463 1.947 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.274 8.231 4.553 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.541 6.651 4.748 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.701 5.976 4.251 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.066 6.053 2.619 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.046 6.437 1.701 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.893 7.981 1.833 1.00 0.00 H new ATOM 1122 N ALA A 70 3.096 6.768 4.007 1.00 0.00 N ATOM 1123 CA ALA A 70 1.919 5.933 4.175 1.00 0.00 C ATOM 1124 C ALA A 70 1.087 5.968 2.892 1.00 0.00 C ATOM 1125 O ALA A 70 0.333 5.037 2.611 1.00 0.00 O ATOM 1126 CB ALA A 70 1.128 6.407 5.396 1.00 0.00 C ATOM 0 H ALA A 70 3.280 7.407 4.781 1.00 0.00 H new ATOM 0 HA ALA A 70 2.205 4.897 4.354 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.245 5.781 5.523 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.754 6.335 6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.821 7.443 5.251 1.00 0.00 H new ATOM 1132 N CYS A 71 1.251 7.051 2.147 1.00 0.00 N ATOM 1133 CA CYS A 71 0.524 7.219 0.900 1.00 0.00 C ATOM 1134 C CYS A 71 1.155 6.303 -0.151 1.00 0.00 C ATOM 1135 O CYS A 71 0.453 5.548 -0.822 1.00 0.00 O ATOM 1136 CB CYS A 71 0.508 8.681 0.447 1.00 0.00 C ATOM 1137 SG CYS A 71 -1.217 9.277 0.318 1.00 0.00 S ATOM 0 H CYS A 71 1.877 7.821 2.383 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.520 6.940 1.044 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.062 9.296 1.156 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.008 8.777 -0.517 1.00 0.00 H new ATOM 0 HG CYS A 71 -1.219 10.519 -0.065 1.00 0.00 H new ATOM 1143 N ALA A 72 2.472 6.400 -0.260 1.00 0.00 N ATOM 1144 CA ALA A 72 3.204 5.589 -1.218 1.00 0.00 C ATOM 1145 C ALA A 72 3.061 4.112 -0.845 1.00 0.00 C ATOM 1146 O ALA A 72 2.548 3.317 -1.630 1.00 0.00 O ATOM 1147 CB ALA A 72 4.666 6.041 -1.257 1.00 0.00 C ATOM 0 H ALA A 72 3.051 7.027 0.299 1.00 0.00 H new ATOM 0 HA ALA A 72 2.795 5.717 -2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.216 5.433 -1.975 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.715 7.088 -1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.110 5.924 -0.268 1.00 0.00 H new ATOM 1153 N VAL A 73 3.523 3.790 0.355 1.00 0.00 N ATOM 1154 CA VAL A 73 3.452 2.423 0.841 1.00 0.00 C ATOM 1155 C VAL A 73 1.993 1.963 0.846 1.00 0.00 C ATOM 1156 O VAL A 73 1.647 0.975 0.200 1.00 0.00 O ATOM 1157 CB VAL A 73 4.115 2.322 2.216 1.00 0.00 C ATOM 1158 CG1 VAL A 73 4.004 0.902 2.776 1.00 0.00 C ATOM 1159 CG2 VAL A 73 5.576 2.774 2.155 1.00 0.00 C ATOM 0 H VAL A 73 3.948 4.452 1.004 1.00 0.00 H new ATOM 0 HA VAL A 73 4.002 1.753 0.179 1.00 0.00 H new ATOM 0 HB VAL A 73 3.585 2.992 2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.483 0.858 3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.953 0.631 2.875 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.497 0.204 2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.024 2.692 3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.124 2.142 1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.623 3.810 1.820 1.00 0.00 H new ATOM 1169 N GLY A 74 1.176 2.701 1.583 1.00 0.00 N ATOM 1170 CA GLY A 74 -0.238 2.381 1.681 1.00 0.00 C ATOM 1171 C GLY A 74 -0.847 2.155 0.295 1.00 0.00 C ATOM 1172 O GLY A 74 -1.735 1.320 0.132 1.00 0.00 O ATOM 0 H GLY A 74 1.466 3.520 2.118 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.371 1.487 2.291 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.764 3.192 2.185 1.00 0.00 H new ATOM 1176 N ALA A 75 -0.344 2.914 -0.667 1.00 0.00 N ATOM 1177 CA ALA A 75 -0.826 2.808 -2.034 1.00 0.00 C ATOM 1178 C ALA A 75 -0.448 1.437 -2.598 1.00 0.00 C ATOM 1179 O ALA A 75 -1.313 0.588 -2.809 1.00 0.00 O ATOM 1180 CB ALA A 75 -0.258 3.958 -2.867 1.00 0.00 C ATOM 0 H ALA A 75 0.393 3.605 -0.527 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.913 2.889 -2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.620 3.878 -3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.580 4.909 -2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.831 3.908 -2.862 1.00 0.00 H new ATOM 1186 N ILE A 76 0.846 1.263 -2.827 1.00 0.00 N ATOM 1187 CA ILE A 76 1.349 0.010 -3.363 1.00 0.00 C ATOM 1188 C ILE A 76 0.637 -1.157 -2.675 1.00 0.00 C ATOM 1189 O ILE A 76 0.199 -2.098 -3.335 1.00 0.00 O ATOM 1190 CB ILE A 76 2.874 -0.048 -3.250 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.417 -1.357 -3.826 1.00 0.00 C ATOM 1192 CG2 ILE A 76 3.325 0.174 -1.805 1.00 0.00 C ATOM 1193 CD1 ILE A 76 3.716 -1.216 -5.320 1.00 0.00 C ATOM 0 H ILE A 76 1.561 1.969 -2.651 1.00 0.00 H new ATOM 0 HA ILE A 76 1.128 -0.064 -4.428 1.00 0.00 H new ATOM 0 HB ILE A 76 3.292 0.763 -3.846 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.325 -1.643 -3.295 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.692 -2.156 -3.670 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.413 0.128 -1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.986 1.152 -1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.898 -0.600 -1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.101 -2.160 -5.705 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.801 -0.954 -5.851 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.460 -0.433 -5.470 1.00 0.00 H new ATOM 1205 N MET A 77 0.543 -1.057 -1.357 1.00 0.00 N ATOM 1206 CA MET A 77 -0.108 -2.092 -0.573 1.00 0.00 C ATOM 1207 C MET A 77 -1.565 -2.272 -1.004 1.00 0.00 C ATOM 1208 O MET A 77 -1.959 -3.354 -1.436 1.00 0.00 O ATOM 1209 CB MET A 77 -0.057 -1.717 0.910 1.00 0.00 C ATOM 1210 CG MET A 77 0.623 -2.815 1.730 1.00 0.00 C ATOM 1211 SD MET A 77 0.579 -2.398 3.465 1.00 0.00 S ATOM 1212 CE MET A 77 2.283 -2.703 3.901 1.00 0.00 C ATOM 0 H MET A 77 0.907 -0.275 -0.813 1.00 0.00 H new ATOM 0 HA MET A 77 0.419 -3.032 -0.738 1.00 0.00 H new ATOM 0 HB2 MET A 77 0.484 -0.779 1.033 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.068 -1.553 1.282 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.121 -3.768 1.564 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.656 -2.938 1.403 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.431 -2.490 4.960 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.528 -3.746 3.703 1.00 0.00 H new ATOM 0 HE3 MET A 77 2.931 -2.059 3.307 1.00 0.00 H new ATOM 1222 N LEU A 78 -2.325 -1.195 -0.872 1.00 0.00 N ATOM 1223 CA LEU A 78 -3.730 -1.220 -1.243 1.00 0.00 C ATOM 1224 C LEU A 78 -3.897 -2.018 -2.537 1.00 0.00 C ATOM 1225 O LEU A 78 -4.657 -2.985 -2.581 1.00 0.00 O ATOM 1226 CB LEU A 78 -4.289 0.202 -1.321 1.00 0.00 C ATOM 1227 CG LEU A 78 -5.784 0.351 -1.032 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -6.045 0.450 0.473 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -6.374 1.539 -1.794 1.00 0.00 C ATOM 0 H LEU A 78 -1.995 -0.299 -0.513 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.317 -1.727 -0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.739 0.827 -0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.091 0.595 -2.318 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.291 -0.545 -1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.115 0.555 0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.683 -0.452 0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.523 1.318 0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.438 1.622 -1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.867 2.455 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.239 1.388 -2.865 1.00 0.00 H new ATOM 1241 N GLY A 79 -3.174 -1.585 -3.560 1.00 0.00 N ATOM 1242 CA GLY A 79 -3.233 -2.247 -4.852 1.00 0.00 C ATOM 1243 C GLY A 79 -2.931 -3.741 -4.716 1.00 0.00 C ATOM 1244 O GLY A 79 -3.619 -4.573 -5.306 1.00 0.00 O ATOM 0 H GLY A 79 -2.544 -0.784 -3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.222 -2.110 -5.290 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.517 -1.788 -5.533 1.00 0.00 H new ATOM 1248 N ALA A 80 -1.901 -4.036 -3.937 1.00 0.00 N ATOM 1249 CA ALA A 80 -1.499 -5.414 -3.717 1.00 0.00 C ATOM 1250 C ALA A 80 -2.674 -6.195 -3.123 1.00 0.00 C ATOM 1251 O ALA A 80 -3.192 -7.117 -3.751 1.00 0.00 O ATOM 1252 CB ALA A 80 -0.263 -5.449 -2.816 1.00 0.00 C ATOM 0 H ALA A 80 -1.332 -3.343 -3.450 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.229 -5.889 -4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.038 -6.484 -2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.552 -4.906 -3.295 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.497 -4.983 -1.859 1.00 0.00 H new ATOM 1258 N VAL A 81 -3.060 -5.796 -1.920 1.00 0.00 N ATOM 1259 CA VAL A 81 -4.164 -6.446 -1.235 1.00 0.00 C ATOM 1260 C VAL A 81 -5.350 -6.574 -2.194 1.00 0.00 C ATOM 1261 O VAL A 81 -6.154 -7.497 -2.073 1.00 0.00 O ATOM 1262 CB VAL A 81 -4.510 -5.681 0.044 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -3.368 -5.765 1.059 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -4.862 -4.225 -0.266 1.00 0.00 C ATOM 0 H VAL A 81 -2.628 -5.031 -1.402 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.883 -7.454 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.388 -6.150 0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.640 -5.213 1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.185 -6.809 1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.465 -5.333 0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.104 -3.704 0.660 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.012 -3.739 -0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.722 -4.193 -0.935 1.00 0.00 H new ATOM 1274 N TYR A 82 -5.420 -5.635 -3.125 1.00 0.00 N ATOM 1275 CA TYR A 82 -6.494 -5.631 -4.105 1.00 0.00 C ATOM 1276 C TYR A 82 -6.391 -6.841 -5.035 1.00 0.00 C ATOM 1277 O TYR A 82 -7.340 -7.613 -5.162 1.00 0.00 O ATOM 1278 CB TYR A 82 -6.311 -4.353 -4.926 1.00 0.00 C ATOM 1279 CG TYR A 82 -7.610 -3.586 -5.182 1.00 0.00 C ATOM 1280 CD1 TYR A 82 -8.540 -4.082 -6.072 1.00 0.00 C ATOM 1281 CD2 TYR A 82 -7.851 -2.399 -4.521 1.00 0.00 C ATOM 1282 CE1 TYR A 82 -9.762 -3.360 -6.313 1.00 0.00 C ATOM 1283 CE2 TYR A 82 -9.073 -1.677 -4.762 1.00 0.00 C ATOM 1284 CZ TYR A 82 -9.969 -2.193 -5.646 1.00 0.00 C ATOM 1285 OH TYR A 82 -11.123 -1.511 -5.873 1.00 0.00 O ATOM 0 H TYR A 82 -4.751 -4.871 -3.222 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.465 -5.675 -3.611 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.610 -3.698 -4.408 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.858 -4.610 -5.884 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.351 -5.012 -6.588 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.123 -2.012 -3.823 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.498 -3.737 -7.008 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.274 -0.746 -4.252 1.00 0.00 H new ATOM 0 HH TYR A 82 -11.135 -0.697 -5.327 1.00 0.00 H new ATOM 1295 N THR A 83 -5.231 -6.968 -5.663 1.00 0.00 N ATOM 1296 CA THR A 83 -4.992 -8.071 -6.578 1.00 0.00 C ATOM 1297 C THR A 83 -5.179 -9.409 -5.861 1.00 0.00 C ATOM 1298 O THR A 83 -5.604 -10.390 -6.470 1.00 0.00 O ATOM 1299 CB THR A 83 -3.596 -7.893 -7.179 1.00 0.00 C ATOM 1300 OG1 THR A 83 -2.715 -8.104 -6.079 1.00 0.00 O ATOM 1301 CG2 THR A 83 -3.322 -6.449 -7.604 1.00 0.00 C ATOM 0 H THR A 83 -4.446 -6.325 -5.556 1.00 0.00 H new ATOM 0 HA THR A 83 -5.715 -8.072 -7.394 1.00 0.00 H new ATOM 0 HB THR A 83 -3.484 -8.552 -8.040 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.076 -7.663 -5.282 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.319 -6.377 -8.024 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.052 -6.146 -8.355 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.400 -5.793 -6.737 1.00 0.00 H new ATOM 1309 N MET A 84 -4.851 -9.407 -4.577 1.00 0.00 N ATOM 1310 CA MET A 84 -4.978 -10.609 -3.771 1.00 0.00 C ATOM 1311 C MET A 84 -6.446 -10.911 -3.463 1.00 0.00 C ATOM 1312 O MET A 84 -7.007 -11.875 -3.981 1.00 0.00 O ATOM 1313 CB MET A 84 -4.208 -10.428 -2.461 1.00 0.00 C ATOM 1314 CG MET A 84 -2.880 -11.187 -2.496 1.00 0.00 C ATOM 1315 SD MET A 84 -1.628 -10.269 -1.615 1.00 0.00 S ATOM 1316 CE MET A 84 -0.724 -11.615 -0.869 1.00 0.00 C ATOM 0 H MET A 84 -4.498 -8.592 -4.075 1.00 0.00 H new ATOM 0 HA MET A 84 -4.565 -11.446 -4.333 1.00 0.00 H new ATOM 0 HB2 MET A 84 -4.021 -9.368 -2.289 1.00 0.00 H new ATOM 0 HB3 MET A 84 -4.813 -10.785 -1.627 1.00 0.00 H new ATOM 0 HG2 MET A 84 -3.003 -12.173 -2.047 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.568 -11.344 -3.529 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.121 -11.218 -0.307 1.00 0.00 H new ATOM 0 HE2 MET A 84 -1.381 -12.166 -0.196 1.00 0.00 H new ATOM 0 HE3 MET A 84 -0.359 -12.284 -1.648 1.00 0.00 H new ATOM 1326 N TYR A 85 -7.026 -10.069 -2.620 1.00 0.00 N ATOM 1327 CA TYR A 85 -8.417 -10.233 -2.237 1.00 0.00 C ATOM 1328 C TYR A 85 -9.315 -10.354 -3.470 1.00 0.00 C ATOM 1329 O TYR A 85 -10.367 -10.990 -3.417 1.00 0.00 O ATOM 1330 CB TYR A 85 -8.796 -8.966 -1.467 1.00 0.00 C ATOM 1331 CG TYR A 85 -8.507 -9.040 0.033 1.00 0.00 C ATOM 1332 CD1 TYR A 85 -9.211 -9.921 0.829 1.00 0.00 C ATOM 1333 CD2 TYR A 85 -7.542 -8.226 0.591 1.00 0.00 C ATOM 1334 CE1 TYR A 85 -8.939 -9.990 2.242 1.00 0.00 C ATOM 1335 CE2 TYR A 85 -7.270 -8.296 2.004 1.00 0.00 C ATOM 1336 CZ TYR A 85 -7.982 -9.174 2.759 1.00 0.00 C ATOM 1337 OH TYR A 85 -7.725 -9.240 4.093 1.00 0.00 O ATOM 0 H TYR A 85 -6.557 -9.271 -2.192 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.547 -11.137 -1.643 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.254 -8.120 -1.890 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.858 -8.769 -1.613 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.966 -10.558 0.393 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.991 -7.537 -0.032 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.483 -10.674 2.876 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.517 -7.665 2.453 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.017 -8.602 4.322 1.00 0.00 H new ATOM 1347 N SER A 86 -8.867 -9.733 -4.552 1.00 0.00 N ATOM 1348 CA SER A 86 -9.617 -9.763 -5.796 1.00 0.00 C ATOM 1349 C SER A 86 -9.425 -11.113 -6.490 1.00 0.00 C ATOM 1350 O SER A 86 -10.377 -11.878 -6.642 1.00 0.00 O ATOM 1351 CB SER A 86 -9.189 -8.624 -6.724 1.00 0.00 C ATOM 1352 OG SER A 86 -9.495 -7.345 -6.175 1.00 0.00 O ATOM 0 H SER A 86 -7.994 -9.206 -4.592 1.00 0.00 H new ATOM 0 HA SER A 86 -10.673 -9.628 -5.562 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.117 -8.692 -6.911 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.688 -8.734 -7.687 1.00 0.00 H new ATOM 0 HG SER A 86 -8.690 -6.963 -5.768 1.00 0.00 H new ATOM 1358 N ASP A 87 -8.189 -11.366 -6.893 1.00 0.00 N ATOM 1359 CA ASP A 87 -7.860 -12.610 -7.567 1.00 0.00 C ATOM 1360 C ASP A 87 -8.495 -13.778 -6.810 1.00 0.00 C ATOM 1361 O ASP A 87 -8.768 -14.826 -7.393 1.00 0.00 O ATOM 1362 CB ASP A 87 -6.348 -12.835 -7.602 1.00 0.00 C ATOM 1363 CG ASP A 87 -5.914 -14.267 -7.925 1.00 0.00 C ATOM 1364 OD1 ASP A 87 -5.843 -14.664 -9.097 1.00 0.00 O ATOM 1365 OD2 ASP A 87 -5.639 -14.997 -6.898 1.00 0.00 O ATOM 0 H ASP A 87 -7.402 -10.730 -6.765 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.239 -12.551 -8.587 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.913 -12.164 -8.343 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.932 -12.555 -6.634 1.00 0.00 H new ATOM 1370 N TYR A 88 -8.711 -13.559 -5.521 1.00 0.00 N ATOM 1371 CA TYR A 88 -9.308 -14.580 -4.678 1.00 0.00 C ATOM 1372 C TYR A 88 -10.380 -15.363 -5.440 1.00 0.00 C ATOM 1373 O TYR A 88 -10.499 -16.576 -5.279 1.00 0.00 O ATOM 1374 CB TYR A 88 -9.968 -13.835 -3.516 1.00 0.00 C ATOM 1375 CG TYR A 88 -10.124 -14.674 -2.246 1.00 0.00 C ATOM 1376 CD1 TYR A 88 -10.872 -15.834 -2.273 1.00 0.00 C ATOM 1377 CD2 TYR A 88 -9.515 -14.273 -1.074 1.00 0.00 C ATOM 1378 CE1 TYR A 88 -11.019 -16.624 -1.078 1.00 0.00 C ATOM 1379 CE2 TYR A 88 -9.662 -15.063 0.121 1.00 0.00 C ATOM 1380 CZ TYR A 88 -10.406 -16.200 0.060 1.00 0.00 C ATOM 1381 OH TYR A 88 -10.545 -16.946 1.188 1.00 0.00 O ATOM 0 H TYR A 88 -8.483 -12.689 -5.040 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.553 -15.291 -4.344 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.377 -12.949 -3.283 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.951 -13.488 -3.833 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -11.347 -16.149 -3.190 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.928 -13.367 -1.053 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -11.603 -17.533 -1.085 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.192 -14.760 1.045 1.00 0.00 H new ATOM 0 HH TYR A 88 -10.053 -16.523 1.922 1.00 0.00 H new ATOM 1391 N VAL A 89 -11.132 -14.636 -6.253 1.00 0.00 N ATOM 1392 CA VAL A 89 -12.190 -15.247 -7.040 1.00 0.00 C ATOM 1393 C VAL A 89 -11.702 -16.590 -7.587 1.00 0.00 C ATOM 1394 O VAL A 89 -12.022 -17.642 -7.036 1.00 0.00 O ATOM 1395 CB VAL A 89 -12.647 -14.285 -8.138 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -13.747 -13.352 -7.627 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -11.466 -13.487 -8.695 1.00 0.00 C ATOM 0 H VAL A 89 -11.030 -13.630 -6.384 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.062 -15.447 -6.418 1.00 0.00 H new ATOM 0 HB VAL A 89 -13.063 -14.879 -8.952 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -14.054 -12.679 -8.427 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -14.603 -13.943 -7.302 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -13.369 -12.769 -6.787 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.819 -12.811 -9.474 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.007 -12.909 -7.893 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.730 -14.172 -9.115 1.00 0.00 H new