USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=13 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 -2:sc= 0.781 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 16:sc= 0.525 USER MOD Single : A 28 SER OG : rot 180:sc= -1.05 USER MOD Single : A 38 CYS SG : 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= -0.784 X(o=-0.78,f=-0.89) 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 180:sc= 0 USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N CYS A 16 6.152 -1.163 -11.072 1.00 0.00 N ATOM 245 CA CYS A 16 5.023 -1.265 -10.163 1.00 0.00 C ATOM 246 C CYS A 16 5.384 -2.260 -9.059 1.00 0.00 C ATOM 247 O CYS A 16 5.194 -1.977 -7.877 1.00 0.00 O ATOM 248 CB CYS A 16 3.741 -1.667 -10.897 1.00 0.00 C ATOM 249 SG CYS A 16 2.467 -0.371 -10.685 1.00 0.00 S ATOM 0 HA CYS A 16 4.820 -0.290 -9.720 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.950 -1.814 -11.957 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.373 -2.617 -10.510 1.00 0.00 H new ATOM 0 HG CYS A 16 1.384 -0.720 -11.313 1.00 0.00 H new ATOM 255 N VAL A 17 5.898 -3.406 -9.483 1.00 0.00 N ATOM 256 CA VAL A 17 6.287 -4.444 -8.544 1.00 0.00 C ATOM 257 C VAL A 17 7.440 -5.256 -9.138 1.00 0.00 C ATOM 258 O VAL A 17 8.515 -5.341 -8.546 1.00 0.00 O ATOM 259 CB VAL A 17 5.074 -5.304 -8.182 1.00 0.00 C ATOM 260 CG1 VAL A 17 4.352 -5.790 -9.440 1.00 0.00 C ATOM 261 CG2 VAL A 17 5.482 -6.481 -7.295 1.00 0.00 C ATOM 0 H VAL A 17 6.054 -3.638 -10.464 1.00 0.00 H new ATOM 0 HA VAL A 17 6.645 -4.003 -7.614 1.00 0.00 H new ATOM 0 HB VAL A 17 4.380 -4.683 -7.616 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.494 -6.399 -9.155 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.011 -4.931 -10.019 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.035 -6.387 -10.044 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.602 -7.076 -7.052 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.205 -7.102 -7.824 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.931 -6.105 -6.375 1.00 0.00 H new ATOM 271 N SER A 18 7.177 -5.834 -10.301 1.00 0.00 N ATOM 272 CA SER A 18 8.179 -6.636 -10.982 1.00 0.00 C ATOM 273 C SER A 18 8.791 -7.646 -10.009 1.00 0.00 C ATOM 274 O SER A 18 8.349 -7.758 -8.866 1.00 0.00 O ATOM 275 CB SER A 18 9.272 -5.754 -11.589 1.00 0.00 C ATOM 276 OG SER A 18 10.130 -5.206 -10.592 1.00 0.00 O ATOM 0 H SER A 18 6.284 -5.763 -10.789 1.00 0.00 H new ATOM 0 HA SER A 18 7.691 -7.174 -11.795 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.862 -6.341 -12.293 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.812 -4.945 -12.156 1.00 0.00 H new ATOM 0 HG SER A 18 9.817 -5.480 -9.705 1.00 0.00 H new ATOM 282 N GLU A 19 9.798 -8.354 -10.497 1.00 0.00 N ATOM 283 CA GLU A 19 10.475 -9.350 -9.684 1.00 0.00 C ATOM 284 C GLU A 19 11.176 -8.682 -8.499 1.00 0.00 C ATOM 285 O GLU A 19 11.465 -9.333 -7.496 1.00 0.00 O ATOM 286 CB GLU A 19 11.467 -10.160 -10.522 1.00 0.00 C ATOM 287 CG GLU A 19 11.421 -11.642 -10.145 1.00 0.00 C ATOM 288 CD GLU A 19 12.063 -12.504 -11.234 1.00 0.00 C ATOM 289 OE1 GLU A 19 13.296 -12.520 -11.367 1.00 0.00 O ATOM 290 OE2 GLU A 19 11.232 -13.176 -11.958 1.00 0.00 O ATOM 0 H GLU A 19 10.162 -8.258 -11.445 1.00 0.00 H new ATOM 0 HA GLU A 19 9.728 -10.042 -9.296 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.235 -10.043 -11.581 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.475 -9.774 -10.372 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.941 -11.797 -9.200 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.387 -11.951 -9.994 1.00 0.00 H new ATOM 297 N LYS A 20 11.429 -7.390 -8.654 1.00 0.00 N ATOM 298 CA LYS A 20 12.090 -6.627 -7.610 1.00 0.00 C ATOM 299 C LYS A 20 11.238 -6.664 -6.340 1.00 0.00 C ATOM 300 O LYS A 20 11.619 -7.287 -5.350 1.00 0.00 O ATOM 301 CB LYS A 20 12.404 -5.211 -8.098 1.00 0.00 C ATOM 302 CG LYS A 20 13.870 -4.856 -7.844 1.00 0.00 C ATOM 303 CD LYS A 20 14.079 -4.386 -6.403 1.00 0.00 C ATOM 304 CE LYS A 20 15.565 -4.183 -6.102 1.00 0.00 C ATOM 305 NZ LYS A 20 15.765 -3.862 -4.671 1.00 0.00 N ATOM 0 H LYS A 20 11.188 -6.853 -9.487 1.00 0.00 H new ATOM 0 HA LYS A 20 13.052 -7.075 -7.362 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.187 -5.133 -9.163 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.759 -4.495 -7.588 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.498 -5.725 -8.041 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.183 -4.073 -8.535 1.00 0.00 H new ATOM 0 HD2 LYS A 20 13.540 -3.453 -6.240 1.00 0.00 H new ATOM 0 HD3 LYS A 20 13.662 -5.120 -5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.121 -5.085 -6.360 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.961 -3.377 -6.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.779 -3.727 -4.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.251 -2.989 -4.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.406 -4.644 -4.086 1.00 0.00 H new ATOM 319 N LEU A 21 10.100 -5.989 -6.409 1.00 0.00 N ATOM 320 CA LEU A 21 9.190 -5.937 -5.277 1.00 0.00 C ATOM 321 C LEU A 21 8.713 -7.352 -4.946 1.00 0.00 C ATOM 322 O LEU A 21 8.714 -7.756 -3.784 1.00 0.00 O ATOM 323 CB LEU A 21 8.052 -4.952 -5.549 1.00 0.00 C ATOM 324 CG LEU A 21 7.697 -4.002 -4.403 1.00 0.00 C ATOM 325 CD1 LEU A 21 7.304 -2.623 -4.935 1.00 0.00 C ATOM 326 CD2 LEU A 21 6.611 -4.603 -3.509 1.00 0.00 C ATOM 0 H LEU A 21 9.787 -5.473 -7.232 1.00 0.00 H new ATOM 0 HA LEU A 21 9.703 -5.559 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.317 -4.354 -6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.160 -5.521 -5.812 1.00 0.00 H new ATOM 0 HG LEU A 21 8.584 -3.867 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.057 -1.968 -4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.137 -2.198 -5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.438 -2.719 -5.590 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.377 -3.908 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.714 -4.788 -4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.967 -5.543 -3.086 1.00 0.00 H new ATOM 338 N LEU A 22 8.317 -8.068 -5.988 1.00 0.00 N ATOM 339 CA LEU A 22 7.839 -9.430 -5.823 1.00 0.00 C ATOM 340 C LEU A 22 8.780 -10.186 -4.883 1.00 0.00 C ATOM 341 O LEU A 22 8.400 -10.535 -3.766 1.00 0.00 O ATOM 342 CB LEU A 22 7.658 -10.103 -7.184 1.00 0.00 C ATOM 343 CG LEU A 22 6.910 -11.438 -7.178 1.00 0.00 C ATOM 344 CD1 LEU A 22 5.427 -11.237 -7.493 1.00 0.00 C ATOM 345 CD2 LEU A 22 7.567 -12.439 -8.131 1.00 0.00 C ATOM 0 H LEU A 22 8.317 -7.730 -6.950 1.00 0.00 H new ATOM 0 HA LEU A 22 6.853 -9.434 -5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.126 -9.414 -7.840 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.643 -10.263 -7.622 1.00 0.00 H new ATOM 0 HG LEU A 22 6.972 -11.859 -6.175 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.919 -12.201 -7.482 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.981 -10.584 -6.743 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.323 -10.783 -8.478 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.016 -13.379 -8.108 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.557 -12.037 -9.144 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.597 -12.614 -7.821 1.00 0.00 H new ATOM 357 N ARG A 23 9.991 -10.417 -5.370 1.00 0.00 N ATOM 358 CA ARG A 23 10.989 -11.125 -4.587 1.00 0.00 C ATOM 359 C ARG A 23 11.086 -10.526 -3.183 1.00 0.00 C ATOM 360 O ARG A 23 11.104 -11.256 -2.193 1.00 0.00 O ATOM 361 CB ARG A 23 12.363 -11.060 -5.258 1.00 0.00 C ATOM 362 CG ARG A 23 13.256 -12.212 -4.794 1.00 0.00 C ATOM 363 CD ARG A 23 14.410 -11.698 -3.931 1.00 0.00 C ATOM 364 NE ARG A 23 14.666 -12.637 -2.816 1.00 0.00 N ATOM 365 CZ ARG A 23 15.841 -12.728 -2.158 1.00 0.00 C ATOM 366 NH1 ARG A 23 16.880 -11.937 -2.499 1.00 0.00 N ATOM 367 NH2 ARG A 23 15.959 -13.603 -1.176 1.00 0.00 N ATOM 0 H ARG A 23 10.303 -10.126 -6.297 1.00 0.00 H new ATOM 0 HA ARG A 23 10.679 -12.168 -4.520 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.245 -11.100 -6.341 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.841 -10.108 -5.025 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.664 -12.930 -4.226 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.653 -12.741 -5.660 1.00 0.00 H new ATOM 0 HD2 ARG A 23 15.308 -11.588 -4.538 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.169 -10.711 -3.538 1.00 0.00 H new ATOM 0 HE ARG A 23 13.907 -13.254 -2.527 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.781 -11.264 -3.259 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.765 -12.012 -1.997 1.00 0.00 H new ATOM 0 HH21 ARG A 23 15.169 -14.197 -0.925 1.00 0.00 H new ATOM 0 HH22 ARG A 23 16.840 -13.684 -0.669 1.00 0.00 H new ATOM 381 N LYS A 24 11.147 -9.203 -3.141 1.00 0.00 N ATOM 382 CA LYS A 24 11.242 -8.498 -1.875 1.00 0.00 C ATOM 383 C LYS A 24 10.282 -9.135 -0.868 1.00 0.00 C ATOM 384 O LYS A 24 10.685 -9.496 0.237 1.00 0.00 O ATOM 385 CB LYS A 24 11.013 -6.998 -2.078 1.00 0.00 C ATOM 386 CG LYS A 24 11.585 -6.193 -0.909 1.00 0.00 C ATOM 387 CD LYS A 24 11.737 -4.717 -1.283 1.00 0.00 C ATOM 388 CE LYS A 24 12.571 -3.971 -0.239 1.00 0.00 C ATOM 389 NZ LYS A 24 12.354 -2.512 -0.349 1.00 0.00 N ATOM 0 H LYS A 24 11.132 -8.601 -3.964 1.00 0.00 H new ATOM 0 HA LYS A 24 12.246 -8.591 -1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.481 -6.678 -3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.946 -6.799 -2.173 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.930 -6.287 -0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.554 -6.601 -0.621 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.211 -4.633 -2.261 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.753 -4.256 -1.365 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.301 -4.310 0.761 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.628 -4.199 -0.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.927 -2.021 0.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.634 -2.190 -1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.348 -2.298 -0.193 1.00 0.00 H new ATOM 403 N THR A 25 9.030 -9.254 -1.286 1.00 0.00 N ATOM 404 CA THR A 25 8.010 -9.842 -0.434 1.00 0.00 C ATOM 405 C THR A 25 6.954 -10.555 -1.281 1.00 0.00 C ATOM 406 O THR A 25 6.374 -9.959 -2.188 1.00 0.00 O ATOM 407 CB THR A 25 7.434 -8.732 0.448 1.00 0.00 C ATOM 408 OG1 THR A 25 8.398 -8.577 1.485 1.00 0.00 O ATOM 409 CG2 THR A 25 6.164 -9.168 1.182 1.00 0.00 C ATOM 0 H THR A 25 8.699 -8.953 -2.203 1.00 0.00 H new ATOM 0 HA THR A 25 8.431 -10.609 0.217 1.00 0.00 H new ATOM 0 HB THR A 25 7.217 -7.857 -0.165 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.238 -9.006 1.218 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.796 -8.344 1.794 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.402 -9.449 0.455 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.388 -10.022 1.821 1.00 0.00 H new ATOM 417 N ARG A 26 6.736 -11.820 -0.956 1.00 0.00 N ATOM 418 CA ARG A 26 5.760 -12.621 -1.676 1.00 0.00 C ATOM 419 C ARG A 26 5.702 -14.035 -1.095 1.00 0.00 C ATOM 420 O ARG A 26 6.175 -14.985 -1.717 1.00 0.00 O ATOM 421 CB ARG A 26 6.104 -12.702 -3.164 1.00 0.00 C ATOM 422 CG ARG A 26 7.440 -13.416 -3.380 1.00 0.00 C ATOM 423 CD ARG A 26 7.271 -14.628 -4.299 1.00 0.00 C ATOM 424 NE ARG A 26 8.547 -15.372 -4.395 1.00 0.00 N ATOM 425 CZ ARG A 26 8.662 -16.614 -4.912 1.00 0.00 C ATOM 426 NH1 ARG A 26 7.576 -17.263 -5.383 1.00 0.00 N ATOM 427 NH2 ARG A 26 9.852 -17.184 -4.948 1.00 0.00 N ATOM 0 H ARG A 26 7.219 -12.311 -0.203 1.00 0.00 H new ATOM 0 HA ARG A 26 4.789 -12.139 -1.565 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.314 -13.233 -3.695 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.152 -11.698 -3.585 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.161 -12.723 -3.814 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.845 -13.736 -2.420 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.488 -15.281 -3.913 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.955 -14.302 -5.290 1.00 0.00 H new ATOM 0 HE ARG A 26 9.392 -14.918 -4.049 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.660 -16.815 -5.350 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.671 -18.201 -5.772 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.667 -16.687 -4.589 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.957 -18.122 -5.335 1.00 0.00 H new ATOM 441 N GLU A 27 5.118 -14.130 0.091 1.00 0.00 N ATOM 442 CA GLU A 27 4.992 -15.413 0.762 1.00 0.00 C ATOM 443 C GLU A 27 4.201 -15.255 2.062 1.00 0.00 C ATOM 444 O GLU A 27 3.920 -14.137 2.491 1.00 0.00 O ATOM 445 CB GLU A 27 6.367 -16.030 1.028 1.00 0.00 C ATOM 446 CG GLU A 27 6.480 -17.413 0.384 1.00 0.00 C ATOM 447 CD GLU A 27 7.925 -17.917 0.417 1.00 0.00 C ATOM 448 OE1 GLU A 27 8.727 -17.558 -0.458 1.00 0.00 O ATOM 449 OE2 GLU A 27 8.204 -18.708 1.397 1.00 0.00 O ATOM 0 H GLU A 27 4.727 -13.340 0.604 1.00 0.00 H new ATOM 0 HA GLU A 27 4.446 -16.092 0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.145 -15.377 0.634 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.532 -16.110 2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.834 -18.116 0.909 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.130 -17.367 -0.647 1.00 0.00 H new ATOM 456 N SER A 28 3.865 -16.392 2.654 1.00 0.00 N ATOM 457 CA SER A 28 3.112 -16.395 3.897 1.00 0.00 C ATOM 458 C SER A 28 1.632 -16.127 3.613 1.00 0.00 C ATOM 459 O SER A 28 1.268 -15.753 2.499 1.00 0.00 O ATOM 460 CB SER A 28 3.661 -15.356 4.876 1.00 0.00 C ATOM 461 OG SER A 28 3.963 -15.926 6.146 1.00 0.00 O ATOM 0 H SER A 28 4.100 -17.318 2.296 1.00 0.00 H new ATOM 0 HA SER A 28 3.215 -17.378 4.357 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.561 -14.904 4.458 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.932 -14.556 5.002 1.00 0.00 H new ATOM 0 HG SER A 28 4.312 -15.231 6.742 1.00 0.00 H new ATOM 467 N PRO A 29 0.798 -16.334 4.667 1.00 0.00 N ATOM 468 CA PRO A 29 -0.633 -16.118 4.541 1.00 0.00 C ATOM 469 C PRO A 29 -0.964 -14.624 4.528 1.00 0.00 C ATOM 470 O PRO A 29 -0.288 -13.830 5.180 1.00 0.00 O ATOM 471 CB PRO A 29 -1.247 -16.852 5.723 1.00 0.00 C ATOM 472 CG PRO A 29 -0.116 -17.057 6.718 1.00 0.00 C ATOM 473 CD PRO A 29 1.194 -16.776 6.000 1.00 0.00 C ATOM 0 HA PRO A 29 -1.034 -16.497 3.601 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.056 -16.272 6.166 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.672 -17.806 5.412 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.234 -16.390 7.572 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.128 -18.076 7.105 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.772 -16.009 6.516 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.819 -17.668 5.952 1.00 0.00 H new ATOM 481 N LEU A 30 -2.004 -14.287 3.779 1.00 0.00 N ATOM 482 CA LEU A 30 -2.432 -12.903 3.673 1.00 0.00 C ATOM 483 C LEU A 30 -3.619 -12.668 4.608 1.00 0.00 C ATOM 484 O LEU A 30 -3.916 -11.529 4.966 1.00 0.00 O ATOM 485 CB LEU A 30 -2.718 -12.542 2.214 1.00 0.00 C ATOM 486 CG LEU A 30 -2.199 -11.180 1.746 1.00 0.00 C ATOM 487 CD1 LEU A 30 -2.816 -10.047 2.567 1.00 0.00 C ATOM 488 CD2 LEU A 30 -0.670 -11.138 1.770 1.00 0.00 C ATOM 0 H LEU A 30 -2.562 -14.949 3.240 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.635 -12.232 3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.283 -13.313 1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.796 -12.571 2.058 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.509 -11.034 0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.431 -9.090 2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.900 -10.065 2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.558 -10.177 3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.328 -10.160 1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.317 -11.316 2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.274 -11.909 1.108 1.00 0.00 H new ATOM 500 N VAL A 31 -4.266 -13.763 4.979 1.00 0.00 N ATOM 501 CA VAL A 31 -5.414 -13.690 5.866 1.00 0.00 C ATOM 502 C VAL A 31 -5.039 -12.889 7.114 1.00 0.00 C ATOM 503 O VAL A 31 -5.753 -11.965 7.501 1.00 0.00 O ATOM 504 CB VAL A 31 -5.916 -15.099 6.189 1.00 0.00 C ATOM 505 CG1 VAL A 31 -6.302 -15.219 7.665 1.00 0.00 C ATOM 506 CG2 VAL A 31 -7.087 -15.486 5.283 1.00 0.00 C ATOM 0 H VAL A 31 -4.017 -14.706 4.681 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.239 -13.168 5.381 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.100 -15.796 5.998 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.655 -16.230 7.868 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.432 -15.007 8.287 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.094 -14.505 7.893 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.424 -16.492 5.534 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.907 -14.782 5.427 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.765 -15.460 4.242 1.00 0.00 H new ATOM 516 N PRO A 32 -3.889 -13.281 7.725 1.00 0.00 N ATOM 517 CA PRO A 32 -3.410 -12.609 8.921 1.00 0.00 C ATOM 518 C PRO A 32 -2.804 -11.247 8.579 1.00 0.00 C ATOM 519 O PRO A 32 -3.385 -10.209 8.893 1.00 0.00 O ATOM 520 CB PRO A 32 -2.404 -13.569 9.535 1.00 0.00 C ATOM 521 CG PRO A 32 -2.013 -14.530 8.424 1.00 0.00 C ATOM 522 CD PRO A 32 -3.017 -14.370 7.294 1.00 0.00 C ATOM 0 HA PRO A 32 -4.210 -12.386 9.627 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.533 -13.033 9.912 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.840 -14.104 10.379 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.004 -14.316 8.071 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.011 -15.557 8.790 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.520 -14.131 6.354 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.581 -15.289 7.132 1.00 0.00 H new ATOM 530 N ILE A 33 -1.645 -11.294 7.940 1.00 0.00 N ATOM 531 CA ILE A 33 -0.954 -10.076 7.552 1.00 0.00 C ATOM 532 C ILE A 33 -1.962 -9.089 6.960 1.00 0.00 C ATOM 533 O ILE A 33 -1.806 -7.877 7.101 1.00 0.00 O ATOM 534 CB ILE A 33 0.214 -10.396 6.618 1.00 0.00 C ATOM 535 CG1 ILE A 33 1.266 -11.252 7.328 1.00 0.00 C ATOM 536 CG2 ILE A 33 0.816 -9.117 6.033 1.00 0.00 C ATOM 537 CD1 ILE A 33 2.210 -11.908 6.319 1.00 0.00 C ATOM 0 H ILE A 33 -1.166 -12.157 7.681 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.511 -9.596 8.425 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.169 -10.983 5.783 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.839 -10.633 8.018 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.773 -12.021 7.924 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.644 -9.374 5.373 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.053 -8.582 5.467 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.180 -8.483 6.842 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.948 -12.510 6.849 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.637 -12.546 5.646 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.719 -11.136 5.742 1.00 0.00 H new ATOM 549 N GLY A 34 -2.974 -9.645 6.311 1.00 0.00 N ATOM 550 CA GLY A 34 -4.008 -8.829 5.697 1.00 0.00 C ATOM 551 C GLY A 34 -4.907 -8.193 6.759 1.00 0.00 C ATOM 552 O GLY A 34 -5.104 -6.978 6.763 1.00 0.00 O ATOM 0 H GLY A 34 -3.100 -10.651 6.197 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.548 -8.049 5.090 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.610 -9.442 5.026 1.00 0.00 H new ATOM 556 N LEU A 35 -5.428 -9.041 7.633 1.00 0.00 N ATOM 557 CA LEU A 35 -6.302 -8.576 8.697 1.00 0.00 C ATOM 558 C LEU A 35 -5.625 -7.422 9.439 1.00 0.00 C ATOM 559 O LEU A 35 -6.244 -6.388 9.682 1.00 0.00 O ATOM 560 CB LEU A 35 -6.705 -9.740 9.605 1.00 0.00 C ATOM 561 CG LEU A 35 -8.095 -9.647 10.237 1.00 0.00 C ATOM 562 CD1 LEU A 35 -9.189 -9.871 9.190 1.00 0.00 C ATOM 563 CD2 LEU A 35 -8.227 -10.610 11.418 1.00 0.00 C ATOM 0 H LEU A 35 -5.262 -10.047 7.626 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.233 -8.187 8.284 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.652 -10.662 9.026 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.969 -9.823 10.405 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.225 -8.638 10.629 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.167 -9.800 9.665 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.108 -9.113 8.411 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.072 -10.860 8.747 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.225 -10.523 11.849 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.068 -11.632 11.074 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.483 -10.362 12.175 1.00 0.00 H new ATOM 575 N GLY A 36 -4.363 -7.639 9.779 1.00 0.00 N ATOM 576 CA GLY A 36 -3.595 -6.630 10.489 1.00 0.00 C ATOM 577 C GLY A 36 -3.433 -5.367 9.640 1.00 0.00 C ATOM 578 O GLY A 36 -4.012 -4.327 9.952 1.00 0.00 O ATOM 0 H GLY A 36 -3.853 -8.499 9.576 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.093 -6.381 11.426 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.613 -7.029 10.746 1.00 0.00 H new ATOM 582 N GLY A 37 -2.643 -5.499 8.585 1.00 0.00 N ATOM 583 CA GLY A 37 -2.397 -4.381 7.690 1.00 0.00 C ATOM 584 C GLY A 37 -3.702 -3.664 7.337 1.00 0.00 C ATOM 585 O GLY A 37 -3.691 -2.487 6.980 1.00 0.00 O ATOM 0 H GLY A 37 -2.165 -6.363 8.330 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.708 -3.679 8.160 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.916 -4.738 6.779 1.00 0.00 H new ATOM 589 N CYS A 38 -4.796 -4.404 7.449 1.00 0.00 N ATOM 590 CA CYS A 38 -6.106 -3.854 7.147 1.00 0.00 C ATOM 591 C CYS A 38 -6.493 -2.890 8.269 1.00 0.00 C ATOM 592 O CYS A 38 -6.573 -1.681 8.054 1.00 0.00 O ATOM 593 CB CYS A 38 -7.151 -4.955 6.955 1.00 0.00 C ATOM 594 SG CYS A 38 -8.733 -4.226 6.395 1.00 0.00 S ATOM 0 H CYS A 38 -4.801 -5.380 7.745 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.066 -3.312 6.202 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.796 -5.681 6.223 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.300 -5.493 7.891 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.612 -5.170 6.233 1.00 0.00 H new ATOM 600 N LEU A 39 -6.722 -3.460 9.443 1.00 0.00 N ATOM 601 CA LEU A 39 -7.099 -2.665 10.600 1.00 0.00 C ATOM 602 C LEU A 39 -6.277 -1.375 10.617 1.00 0.00 C ATOM 603 O LEU A 39 -6.799 -0.306 10.930 1.00 0.00 O ATOM 604 CB LEU A 39 -6.973 -3.492 11.882 1.00 0.00 C ATOM 605 CG LEU A 39 -8.166 -3.433 12.838 1.00 0.00 C ATOM 606 CD1 LEU A 39 -8.145 -4.612 13.813 1.00 0.00 C ATOM 607 CD2 LEU A 39 -8.220 -2.088 13.565 1.00 0.00 C ATOM 0 H LEU A 39 -6.654 -4.463 9.618 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.148 -2.374 10.537 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.806 -4.533 11.604 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.085 -3.159 12.420 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.080 -3.517 12.250 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.003 -4.547 14.482 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.190 -5.547 13.254 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.226 -4.584 14.399 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.077 -2.072 14.238 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.305 -1.948 14.140 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.317 -1.284 12.836 1.00 0.00 H new ATOM 619 N VAL A 40 -5.005 -1.517 10.276 1.00 0.00 N ATOM 620 CA VAL A 40 -4.105 -0.376 10.248 1.00 0.00 C ATOM 621 C VAL A 40 -4.502 0.552 9.098 1.00 0.00 C ATOM 622 O VAL A 40 -4.780 1.731 9.315 1.00 0.00 O ATOM 623 CB VAL A 40 -2.655 -0.855 10.157 1.00 0.00 C ATOM 624 CG1 VAL A 40 -1.698 0.326 9.983 1.00 0.00 C ATOM 625 CG2 VAL A 40 -2.276 -1.693 11.379 1.00 0.00 C ATOM 0 H VAL A 40 -4.576 -2.405 10.017 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.186 0.197 11.171 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.567 -1.490 9.276 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.674 -0.042 9.921 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.946 0.864 9.068 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.791 0.998 10.836 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.240 -2.021 11.289 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.389 -1.092 12.281 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.928 -2.564 11.439 1.00 0.00 H new ATOM 635 N VAL A 41 -4.516 -0.014 7.901 1.00 0.00 N ATOM 636 CA VAL A 41 -4.874 0.748 6.716 1.00 0.00 C ATOM 637 C VAL A 41 -6.171 1.515 6.982 1.00 0.00 C ATOM 638 O VAL A 41 -6.170 2.744 7.035 1.00 0.00 O ATOM 639 CB VAL A 41 -4.965 -0.181 5.504 1.00 0.00 C ATOM 640 CG1 VAL A 41 -5.823 0.441 4.400 1.00 0.00 C ATOM 641 CG2 VAL A 41 -3.573 -0.539 4.981 1.00 0.00 C ATOM 0 H VAL A 41 -4.285 -0.992 7.725 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.103 1.483 6.486 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.449 -1.104 5.825 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.872 -0.240 3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.829 0.621 4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.380 1.386 4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.667 -1.200 4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.050 0.371 4.685 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.008 -1.043 5.765 1.00 0.00 H new ATOM 651 N ALA A 42 -7.246 0.757 7.141 1.00 0.00 N ATOM 652 CA ALA A 42 -8.548 1.350 7.399 1.00 0.00 C ATOM 653 C ALA A 42 -8.399 2.462 8.440 1.00 0.00 C ATOM 654 O ALA A 42 -8.807 3.598 8.202 1.00 0.00 O ATOM 655 CB ALA A 42 -9.526 0.261 7.845 1.00 0.00 C ATOM 0 H ALA A 42 -7.242 -0.262 7.096 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.952 1.799 6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.502 0.706 8.038 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.618 -0.489 7.060 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.155 -0.210 8.755 1.00 0.00 H new ATOM 661 N ALA A 43 -7.815 2.096 9.571 1.00 0.00 N ATOM 662 CA ALA A 43 -7.607 3.048 10.649 1.00 0.00 C ATOM 663 C ALA A 43 -7.163 4.388 10.060 1.00 0.00 C ATOM 664 O ALA A 43 -7.835 5.403 10.240 1.00 0.00 O ATOM 665 CB ALA A 43 -6.591 2.481 11.642 1.00 0.00 C ATOM 0 H ALA A 43 -7.479 1.153 9.765 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.535 3.219 11.195 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.435 3.195 12.451 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.968 1.544 12.053 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.645 2.299 11.131 1.00 0.00 H new ATOM 671 N TYR A 44 -6.032 4.350 9.370 1.00 0.00 N ATOM 672 CA TYR A 44 -5.490 5.549 8.755 1.00 0.00 C ATOM 673 C TYR A 44 -6.513 6.196 7.819 1.00 0.00 C ATOM 674 O TYR A 44 -6.753 7.400 7.893 1.00 0.00 O ATOM 675 CB TYR A 44 -4.283 5.092 7.933 1.00 0.00 C ATOM 676 CG TYR A 44 -3.027 4.829 8.766 1.00 0.00 C ATOM 677 CD1 TYR A 44 -2.552 5.800 9.625 1.00 0.00 C ATOM 678 CD2 TYR A 44 -2.369 3.621 8.660 1.00 0.00 C ATOM 679 CE1 TYR A 44 -1.370 5.552 10.409 1.00 0.00 C ATOM 680 CE2 TYR A 44 -1.187 3.373 9.444 1.00 0.00 C ATOM 681 CZ TYR A 44 -0.746 4.351 10.280 1.00 0.00 C ATOM 682 OH TYR A 44 0.371 4.117 11.020 1.00 0.00 O ATOM 0 H TYR A 44 -5.476 3.507 9.224 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.225 6.284 9.515 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.547 4.182 7.394 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.058 5.851 7.184 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.067 6.746 9.709 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.741 2.861 7.989 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.988 6.303 11.084 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.663 2.432 9.370 1.00 0.00 H new ATOM 0 HH TYR A 44 0.709 3.218 10.826 1.00 0.00 H new ATOM 692 N ARG A 45 -7.089 5.367 6.960 1.00 0.00 N ATOM 693 CA ARG A 45 -8.081 5.843 6.011 1.00 0.00 C ATOM 694 C ARG A 45 -9.137 6.688 6.726 1.00 0.00 C ATOM 695 O ARG A 45 -9.251 7.887 6.477 1.00 0.00 O ATOM 696 CB ARG A 45 -8.767 4.676 5.300 1.00 0.00 C ATOM 697 CG ARG A 45 -9.719 5.179 4.212 1.00 0.00 C ATOM 698 CD ARG A 45 -10.304 4.013 3.413 1.00 0.00 C ATOM 699 NE ARG A 45 -11.659 3.688 3.910 1.00 0.00 N ATOM 700 CZ ARG A 45 -12.762 4.416 3.634 1.00 0.00 C ATOM 701 NH1 ARG A 45 -12.678 5.520 2.861 1.00 0.00 N ATOM 702 NH2 ARG A 45 -13.923 4.034 4.132 1.00 0.00 N ATOM 0 H ARG A 45 -6.887 4.369 6.902 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.565 6.452 5.269 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.015 4.023 4.857 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.320 4.079 6.025 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.526 5.754 4.667 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.186 5.853 3.541 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.348 4.272 2.355 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.657 3.140 3.501 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.767 2.862 4.498 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.777 5.809 2.481 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.516 6.065 2.657 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.978 3.200 4.716 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.766 4.573 3.933 1.00 0.00 H new ATOM 716 N ILE A 46 -9.883 6.029 7.601 1.00 0.00 N ATOM 717 CA ILE A 46 -10.926 6.704 8.354 1.00 0.00 C ATOM 718 C ILE A 46 -10.375 8.015 8.919 1.00 0.00 C ATOM 719 O ILE A 46 -10.860 9.093 8.582 1.00 0.00 O ATOM 720 CB ILE A 46 -11.508 5.772 9.419 1.00 0.00 C ATOM 721 CG1 ILE A 46 -12.120 4.524 8.779 1.00 0.00 C ATOM 722 CG2 ILE A 46 -12.510 6.511 10.307 1.00 0.00 C ATOM 723 CD1 ILE A 46 -12.059 3.331 9.736 1.00 0.00 C ATOM 0 H ILE A 46 -9.785 5.034 7.805 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.759 6.963 7.701 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.694 5.438 10.063 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -13.156 4.722 8.505 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -11.587 4.284 7.859 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.908 5.825 11.055 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.011 7.342 10.806 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -13.326 6.893 9.694 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -12.500 2.457 9.257 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.020 3.120 9.989 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.613 3.565 10.645 1.00 0.00 H new ATOM 735 N TYR A 47 -9.367 7.878 9.769 1.00 0.00 N ATOM 736 CA TYR A 47 -8.744 9.037 10.384 1.00 0.00 C ATOM 737 C TYR A 47 -8.638 10.195 9.388 1.00 0.00 C ATOM 738 O TYR A 47 -9.043 11.316 9.690 1.00 0.00 O ATOM 739 CB TYR A 47 -7.336 8.596 10.786 1.00 0.00 C ATOM 740 CG TYR A 47 -7.174 8.320 12.283 1.00 0.00 C ATOM 741 CD1 TYR A 47 -7.708 7.173 12.835 1.00 0.00 C ATOM 742 CD2 TYR A 47 -6.495 9.218 13.081 1.00 0.00 C ATOM 743 CE1 TYR A 47 -7.556 6.914 14.243 1.00 0.00 C ATOM 744 CE2 TYR A 47 -6.343 8.959 14.489 1.00 0.00 C ATOM 745 CZ TYR A 47 -6.881 7.819 15.000 1.00 0.00 C ATOM 746 OH TYR A 47 -6.738 7.574 16.330 1.00 0.00 O ATOM 0 H TYR A 47 -8.967 6.982 10.046 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.332 9.383 11.234 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.076 7.695 10.231 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.626 9.368 10.490 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.240 6.470 12.211 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.077 10.116 12.649 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.969 6.021 14.688 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.814 9.654 15.125 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.233 8.305 16.745 1.00 0.00 H new ATOM 756 N ARG A 48 -8.090 9.883 8.223 1.00 0.00 N ATOM 757 CA ARG A 48 -7.925 10.883 7.182 1.00 0.00 C ATOM 758 C ARG A 48 -9.272 11.527 6.846 1.00 0.00 C ATOM 759 O ARG A 48 -9.408 12.748 6.889 1.00 0.00 O ATOM 760 CB ARG A 48 -7.333 10.265 5.914 1.00 0.00 C ATOM 761 CG ARG A 48 -6.206 11.135 5.354 1.00 0.00 C ATOM 762 CD ARG A 48 -6.762 12.239 4.452 1.00 0.00 C ATOM 763 NE ARG A 48 -7.434 13.272 5.271 1.00 0.00 N ATOM 764 CZ ARG A 48 -8.288 14.193 4.776 1.00 0.00 C ATOM 765 NH1 ARG A 48 -8.581 14.217 3.458 1.00 0.00 N ATOM 766 NH2 ARG A 48 -8.832 15.069 5.599 1.00 0.00 N ATOM 0 H ARG A 48 -7.755 8.952 7.977 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.239 11.642 7.557 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -6.952 9.268 6.135 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.114 10.148 5.163 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.643 11.580 6.175 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.510 10.515 4.789 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.954 12.689 3.875 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.467 11.815 3.737 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.240 13.289 6.272 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.156 13.536 2.829 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.227 14.916 3.092 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.605 15.044 6.593 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.479 15.771 5.241 1.00 0.00 H new ATOM 780 N LEU A 49 -10.233 10.676 6.519 1.00 0.00 N ATOM 781 CA LEU A 49 -11.565 11.146 6.176 1.00 0.00 C ATOM 782 C LEU A 49 -12.105 12.010 7.317 1.00 0.00 C ATOM 783 O LEU A 49 -12.319 13.209 7.145 1.00 0.00 O ATOM 784 CB LEU A 49 -12.472 9.969 5.813 1.00 0.00 C ATOM 785 CG LEU A 49 -13.153 10.044 4.445 1.00 0.00 C ATOM 786 CD1 LEU A 49 -12.177 9.673 3.326 1.00 0.00 C ATOM 787 CD2 LEU A 49 -14.416 9.182 4.413 1.00 0.00 C ATOM 0 H LEU A 49 -10.116 9.663 6.484 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.530 11.776 5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.880 9.054 5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -13.245 9.882 6.577 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.463 11.075 4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.686 9.734 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.334 10.364 3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.815 8.657 3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -14.880 9.253 3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -14.153 8.144 4.616 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.116 9.534 5.171 1.00 0.00 H new ATOM 799 N ARG A 50 -12.311 11.367 8.458 1.00 0.00 N ATOM 800 CA ARG A 50 -12.822 12.062 9.627 1.00 0.00 C ATOM 801 C ARG A 50 -11.873 13.193 10.030 1.00 0.00 C ATOM 802 O ARG A 50 -10.664 13.095 9.825 1.00 0.00 O ATOM 803 CB ARG A 50 -12.992 11.103 10.807 1.00 0.00 C ATOM 804 CG ARG A 50 -14.451 11.051 11.265 1.00 0.00 C ATOM 805 CD ARG A 50 -14.561 10.471 12.677 1.00 0.00 C ATOM 806 NE ARG A 50 -14.011 11.430 13.662 1.00 0.00 N ATOM 807 CZ ARG A 50 -14.206 11.340 14.995 1.00 0.00 C ATOM 808 NH1 ARG A 50 -14.940 10.333 15.514 1.00 0.00 N ATOM 809 NH2 ARG A 50 -13.668 12.252 15.783 1.00 0.00 N ATOM 0 H ARG A 50 -12.133 10.372 8.597 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.796 12.476 9.367 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.661 10.105 10.520 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -12.358 11.423 11.634 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.878 12.054 11.245 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.032 10.443 10.572 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.604 10.255 12.910 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.019 9.527 12.735 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.450 12.207 13.312 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.352 9.632 14.898 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.082 10.273 16.522 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.115 13.010 15.383 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.805 12.199 16.792 1.00 0.00 H new ATOM 1045 N ARG A 65 5.861 11.884 8.121 1.00 0.00 N ATOM 1046 CA ARG A 65 4.480 12.220 7.819 1.00 0.00 C ATOM 1047 C ARG A 65 3.632 10.950 7.729 1.00 0.00 C ATOM 1048 O ARG A 65 3.646 10.261 6.710 1.00 0.00 O ATOM 1049 CB ARG A 65 4.376 12.990 6.501 1.00 0.00 C ATOM 1050 CG ARG A 65 4.810 14.446 6.680 1.00 0.00 C ATOM 1051 CD ARG A 65 3.597 15.363 6.846 1.00 0.00 C ATOM 1052 NE ARG A 65 3.869 16.679 6.226 1.00 0.00 N ATOM 1053 CZ ARG A 65 2.971 17.685 6.161 1.00 0.00 C ATOM 1054 NH1 ARG A 65 1.734 17.534 6.679 1.00 0.00 N ATOM 1055 NH2 ARG A 65 3.321 18.820 5.584 1.00 0.00 N ATOM 0 HA ARG A 65 4.108 12.852 8.626 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.000 12.511 5.746 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.350 12.955 6.136 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.457 14.532 7.553 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.395 14.764 5.817 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.721 14.908 6.384 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.369 15.490 7.904 1.00 0.00 H new ATOM 0 HE ARG A 65 4.793 16.836 5.823 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.471 16.655 7.124 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.062 18.299 6.626 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.258 18.927 5.196 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.654 19.590 5.527 1.00 0.00 H new ATOM 1069 N VAL A 66 2.914 10.679 8.809 1.00 0.00 N ATOM 1070 CA VAL A 66 2.062 9.503 8.865 1.00 0.00 C ATOM 1071 C VAL A 66 1.170 9.466 7.623 1.00 0.00 C ATOM 1072 O VAL A 66 0.947 8.403 7.046 1.00 0.00 O ATOM 1073 CB VAL A 66 1.267 9.495 10.172 1.00 0.00 C ATOM 1074 CG1 VAL A 66 0.215 8.384 10.167 1.00 0.00 C ATOM 1075 CG2 VAL A 66 2.198 9.363 11.379 1.00 0.00 C ATOM 0 H VAL A 66 2.905 11.253 9.652 1.00 0.00 H new ATOM 0 HA VAL A 66 2.664 8.594 8.861 1.00 0.00 H new ATOM 0 HB VAL A 66 0.746 10.449 10.253 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.336 8.400 11.107 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.476 8.541 9.339 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.707 7.418 10.051 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.608 9.360 12.295 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.759 8.431 11.306 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.892 10.204 11.397 1.00 0.00 H new ATOM 1085 N ALA A 67 0.684 10.640 7.247 1.00 0.00 N ATOM 1086 CA ALA A 67 -0.179 10.755 6.084 1.00 0.00 C ATOM 1087 C ALA A 67 0.614 10.390 4.828 1.00 0.00 C ATOM 1088 O ALA A 67 0.126 9.652 3.973 1.00 0.00 O ATOM 1089 CB ALA A 67 -0.760 12.169 6.016 1.00 0.00 C ATOM 0 H ALA A 67 0.872 11.520 7.727 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.017 10.062 6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.407 12.255 5.143 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.339 12.368 6.918 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.052 12.892 5.938 1.00 0.00 H new ATOM 1095 N ALA A 68 1.825 10.925 4.755 1.00 0.00 N ATOM 1096 CA ALA A 68 2.691 10.664 3.618 1.00 0.00 C ATOM 1097 C ALA A 68 2.902 9.155 3.477 1.00 0.00 C ATOM 1098 O ALA A 68 2.428 8.545 2.520 1.00 0.00 O ATOM 1099 CB ALA A 68 4.007 11.423 3.794 1.00 0.00 C ATOM 0 H ALA A 68 2.226 11.538 5.465 1.00 0.00 H new ATOM 0 HA ALA A 68 2.231 11.019 2.696 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.657 11.227 2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.805 12.492 3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.499 11.091 4.708 1.00 0.00 H new ATOM 1105 N GLN A 69 3.613 8.597 4.446 1.00 0.00 N ATOM 1106 CA GLN A 69 3.893 7.172 4.443 1.00 0.00 C ATOM 1107 C GLN A 69 2.604 6.378 4.216 1.00 0.00 C ATOM 1108 O GLN A 69 2.627 5.313 3.601 1.00 0.00 O ATOM 1109 CB GLN A 69 4.578 6.744 5.742 1.00 0.00 C ATOM 1110 CG GLN A 69 3.679 7.012 6.950 1.00 0.00 C ATOM 1111 CD GLN A 69 4.336 6.524 8.243 1.00 0.00 C ATOM 1112 OE1 GLN A 69 5.541 6.348 8.329 1.00 0.00 O ATOM 1113 NE2 GLN A 69 3.481 6.317 9.240 1.00 0.00 N ATOM 0 H GLN A 69 4.003 9.107 5.239 1.00 0.00 H new ATOM 0 HA GLN A 69 4.578 6.959 3.623 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.824 5.683 5.695 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.518 7.284 5.857 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.472 8.080 7.024 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.721 6.510 6.813 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.485 6.484 9.100 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.822 5.991 10.145 1.00 0.00 H new ATOM 1122 N ALA A 70 1.511 6.928 4.725 1.00 0.00 N ATOM 1123 CA ALA A 70 0.216 6.285 4.586 1.00 0.00 C ATOM 1124 C ALA A 70 -0.195 6.290 3.112 1.00 0.00 C ATOM 1125 O ALA A 70 -0.830 5.350 2.638 1.00 0.00 O ATOM 1126 CB ALA A 70 -0.805 6.994 5.478 1.00 0.00 C ATOM 0 H ALA A 70 1.496 7.812 5.234 1.00 0.00 H new ATOM 0 HA ALA A 70 0.267 5.246 4.911 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.777 6.511 5.373 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.482 6.937 6.517 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.885 8.039 5.179 1.00 0.00 H new ATOM 1132 N CYS A 71 0.184 7.360 2.428 1.00 0.00 N ATOM 1133 CA CYS A 71 -0.138 7.500 1.018 1.00 0.00 C ATOM 1134 C CYS A 71 0.688 6.479 0.234 1.00 0.00 C ATOM 1135 O CYS A 71 0.135 5.659 -0.498 1.00 0.00 O ATOM 1136 CB CYS A 71 0.101 8.928 0.523 1.00 0.00 C ATOM 1137 SG CYS A 71 -1.495 9.808 0.359 1.00 0.00 S ATOM 0 H CYS A 71 0.711 8.138 2.824 1.00 0.00 H new ATOM 0 HA CYS A 71 -1.199 7.304 0.863 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.749 9.460 1.220 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.615 8.907 -0.438 1.00 0.00 H new ATOM 0 HG CYS A 71 -1.281 11.020 -0.060 1.00 0.00 H new ATOM 1143 N ALA A 72 1.998 6.560 0.414 1.00 0.00 N ATOM 1144 CA ALA A 72 2.905 5.653 -0.268 1.00 0.00 C ATOM 1145 C ALA A 72 2.535 4.210 0.082 1.00 0.00 C ATOM 1146 O ALA A 72 2.045 3.468 -0.768 1.00 0.00 O ATOM 1147 CB ALA A 72 4.348 5.993 0.110 1.00 0.00 C ATOM 0 H ALA A 72 2.453 7.240 1.023 1.00 0.00 H new ATOM 0 HA ALA A 72 2.817 5.763 -1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.028 5.312 -0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.570 7.018 -0.186 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.475 5.891 1.188 1.00 0.00 H new ATOM 1153 N VAL A 73 2.784 3.857 1.334 1.00 0.00 N ATOM 1154 CA VAL A 73 2.483 2.516 1.807 1.00 0.00 C ATOM 1155 C VAL A 73 1.054 2.147 1.405 1.00 0.00 C ATOM 1156 O VAL A 73 0.842 1.193 0.658 1.00 0.00 O ATOM 1157 CB VAL A 73 2.721 2.428 3.316 1.00 0.00 C ATOM 1158 CG1 VAL A 73 2.315 1.055 3.855 1.00 0.00 C ATOM 1159 CG2 VAL A 73 4.178 2.743 3.660 1.00 0.00 C ATOM 0 H VAL A 73 3.191 4.476 2.036 1.00 0.00 H new ATOM 0 HA VAL A 73 3.149 1.789 1.343 1.00 0.00 H new ATOM 0 HB VAL A 73 2.093 3.177 3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.494 1.018 4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.257 0.885 3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.905 0.282 3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.320 2.674 4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.832 2.028 3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.421 3.752 3.326 1.00 0.00 H new ATOM 1169 N GLY A 74 0.110 2.922 1.918 1.00 0.00 N ATOM 1170 CA GLY A 74 -1.293 2.688 1.622 1.00 0.00 C ATOM 1171 C GLY A 74 -1.488 2.312 0.152 1.00 0.00 C ATOM 1172 O GLY A 74 -1.888 1.191 -0.158 1.00 0.00 O ATOM 0 H GLY A 74 0.289 3.713 2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.674 1.890 2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.871 3.583 1.852 1.00 0.00 H new ATOM 1176 N ALA A 75 -1.196 3.271 -0.715 1.00 0.00 N ATOM 1177 CA ALA A 75 -1.334 3.054 -2.145 1.00 0.00 C ATOM 1178 C ALA A 75 -0.853 1.644 -2.492 1.00 0.00 C ATOM 1179 O ALA A 75 -1.594 0.860 -3.083 1.00 0.00 O ATOM 1180 CB ALA A 75 -0.560 4.136 -2.902 1.00 0.00 C ATOM 0 H ALA A 75 -0.865 4.200 -0.454 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.379 3.129 -2.445 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.663 3.974 -3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.959 5.117 -2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.494 4.089 -2.628 1.00 0.00 H new ATOM 1186 N ILE A 76 0.384 1.363 -2.108 1.00 0.00 N ATOM 1187 CA ILE A 76 0.971 0.061 -2.371 1.00 0.00 C ATOM 1188 C ILE A 76 0.053 -1.030 -1.815 1.00 0.00 C ATOM 1189 O ILE A 76 -0.566 -1.772 -2.576 1.00 0.00 O ATOM 1190 CB ILE A 76 2.400 -0.002 -1.828 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.282 1.066 -2.478 1.00 0.00 C ATOM 1192 CG2 ILE A 76 2.987 -1.406 -1.989 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.392 1.515 -1.526 1.00 0.00 C ATOM 0 H ILE A 76 0.995 2.015 -1.617 1.00 0.00 H new ATOM 0 HA ILE A 76 1.055 -0.109 -3.444 1.00 0.00 H new ATOM 0 HB ILE A 76 2.369 0.213 -0.760 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.721 0.671 -3.394 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.672 1.924 -2.761 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.003 -1.423 -1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.374 -2.122 -1.442 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.003 -1.675 -3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.004 2.274 -2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.949 1.931 -0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.015 0.660 -1.264 1.00 0.00 H new ATOM 1205 N MET A 77 -0.005 -1.092 -0.493 1.00 0.00 N ATOM 1206 CA MET A 77 -0.837 -2.080 0.173 1.00 0.00 C ATOM 1207 C MET A 77 -2.160 -2.273 -0.569 1.00 0.00 C ATOM 1208 O MET A 77 -2.403 -3.331 -1.148 1.00 0.00 O ATOM 1209 CB MET A 77 -1.117 -1.627 1.608 1.00 0.00 C ATOM 1210 CG MET A 77 -0.867 -2.764 2.600 1.00 0.00 C ATOM 1211 SD MET A 77 0.766 -2.611 3.306 1.00 0.00 S ATOM 1212 CE MET A 77 1.388 -4.256 3.007 1.00 0.00 C ATOM 0 H MET A 77 0.510 -0.475 0.135 1.00 0.00 H new ATOM 0 HA MET A 77 -0.305 -3.031 0.180 1.00 0.00 H new ATOM 0 HB2 MET A 77 -0.481 -0.777 1.856 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.149 -1.287 1.691 1.00 0.00 H new ATOM 0 HG2 MET A 77 -1.617 -2.740 3.390 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.966 -3.725 2.096 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.406 -4.335 3.389 1.00 0.00 H new ATOM 0 HE2 MET A 77 0.753 -4.983 3.513 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.386 -4.457 1.936 1.00 0.00 H new ATOM 1222 N LEU A 78 -2.982 -1.234 -0.528 1.00 0.00 N ATOM 1223 CA LEU A 78 -4.275 -1.276 -1.190 1.00 0.00 C ATOM 1224 C LEU A 78 -4.131 -1.989 -2.536 1.00 0.00 C ATOM 1225 O LEU A 78 -4.938 -2.854 -2.874 1.00 0.00 O ATOM 1226 CB LEU A 78 -4.867 0.130 -1.300 1.00 0.00 C ATOM 1227 CG LEU A 78 -5.882 0.516 -0.222 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -5.190 1.172 0.974 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -6.987 1.402 -0.802 1.00 0.00 C ATOM 0 H LEU A 78 -2.778 -0.358 -0.047 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.987 -1.851 -0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.049 0.850 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.347 0.226 -2.274 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.357 -0.395 0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.934 1.436 1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.471 0.476 1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.671 2.072 0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.695 1.662 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.547 2.312 -1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.507 0.864 -1.595 1.00 0.00 H new ATOM 1241 N GLY A 79 -3.097 -1.600 -3.268 1.00 0.00 N ATOM 1242 CA GLY A 79 -2.837 -2.192 -4.570 1.00 0.00 C ATOM 1243 C GLY A 79 -2.697 -3.712 -4.463 1.00 0.00 C ATOM 1244 O GLY A 79 -3.559 -4.452 -4.933 1.00 0.00 O ATOM 0 H GLY A 79 -2.430 -0.883 -2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.649 -1.945 -5.254 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.925 -1.768 -4.991 1.00 0.00 H new ATOM 1248 N ALA A 80 -1.604 -4.131 -3.843 1.00 0.00 N ATOM 1249 CA ALA A 80 -1.339 -5.549 -3.669 1.00 0.00 C ATOM 1250 C ALA A 80 -2.605 -6.240 -3.158 1.00 0.00 C ATOM 1251 O ALA A 80 -3.139 -7.132 -3.817 1.00 0.00 O ATOM 1252 CB ALA A 80 -0.151 -5.735 -2.724 1.00 0.00 C ATOM 0 H ALA A 80 -0.891 -3.513 -3.455 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.073 -6.009 -4.620 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.047 -6.799 -2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.729 -5.251 -3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.382 -5.288 -1.757 1.00 0.00 H new ATOM 1258 N VAL A 81 -3.048 -5.803 -1.988 1.00 0.00 N ATOM 1259 CA VAL A 81 -4.241 -6.369 -1.381 1.00 0.00 C ATOM 1260 C VAL A 81 -5.298 -6.599 -2.463 1.00 0.00 C ATOM 1261 O VAL A 81 -5.653 -7.739 -2.757 1.00 0.00 O ATOM 1262 CB VAL A 81 -4.731 -5.464 -0.249 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -6.095 -5.924 0.268 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -3.706 -5.403 0.886 1.00 0.00 C ATOM 0 H VAL A 81 -2.602 -5.064 -1.444 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.019 -7.337 -0.932 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.847 -4.457 -0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.421 -5.264 1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.821 -5.892 -0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.016 -6.944 0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.078 -4.753 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.544 -6.405 1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.764 -5.008 0.505 1.00 0.00 H new ATOM 1274 N TYR A 82 -5.772 -5.497 -3.026 1.00 0.00 N ATOM 1275 CA TYR A 82 -6.782 -5.565 -4.068 1.00 0.00 C ATOM 1276 C TYR A 82 -6.533 -6.754 -4.997 1.00 0.00 C ATOM 1277 O TYR A 82 -7.401 -7.610 -5.162 1.00 0.00 O ATOM 1278 CB TYR A 82 -6.647 -4.269 -4.871 1.00 0.00 C ATOM 1279 CG TYR A 82 -7.702 -3.214 -4.532 1.00 0.00 C ATOM 1280 CD1 TYR A 82 -9.041 -3.544 -4.559 1.00 0.00 C ATOM 1281 CD2 TYR A 82 -7.314 -1.932 -4.201 1.00 0.00 C ATOM 1282 CE1 TYR A 82 -10.034 -2.551 -4.240 1.00 0.00 C ATOM 1283 CE2 TYR A 82 -8.307 -0.939 -3.882 1.00 0.00 C ATOM 1284 CZ TYR A 82 -9.618 -1.298 -3.917 1.00 0.00 C ATOM 1285 OH TYR A 82 -10.556 -0.360 -3.617 1.00 0.00 O ATOM 0 H TYR A 82 -5.475 -4.553 -2.780 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.774 -5.687 -3.633 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.657 -3.847 -4.697 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.711 -4.504 -5.934 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -9.345 -4.547 -4.819 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.266 -1.673 -4.181 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -11.086 -2.796 -4.257 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.017 0.068 -3.621 1.00 0.00 H new ATOM 0 HH TYR A 82 -10.114 0.488 -3.405 1.00 0.00 H new ATOM 1295 N THR A 83 -5.343 -6.770 -5.580 1.00 0.00 N ATOM 1296 CA THR A 83 -4.969 -7.841 -6.488 1.00 0.00 C ATOM 1297 C THR A 83 -5.281 -9.202 -5.865 1.00 0.00 C ATOM 1298 O THR A 83 -6.117 -9.946 -6.376 1.00 0.00 O ATOM 1299 CB THR A 83 -3.492 -7.661 -6.847 1.00 0.00 C ATOM 1300 OG1 THR A 83 -3.471 -6.486 -7.653 1.00 0.00 O ATOM 1301 CG2 THR A 83 -2.978 -8.761 -7.779 1.00 0.00 C ATOM 0 H THR A 83 -4.626 -6.058 -5.441 1.00 0.00 H new ATOM 0 HA THR A 83 -5.550 -7.800 -7.409 1.00 0.00 H new ATOM 0 HB THR A 83 -2.896 -7.650 -5.935 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.550 -6.295 -7.929 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.926 -8.586 -8.002 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.090 -9.731 -7.294 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.552 -8.751 -8.705 1.00 0.00 H new ATOM 1309 N MET A 84 -4.593 -9.488 -4.769 1.00 0.00 N ATOM 1310 CA MET A 84 -4.786 -10.747 -4.071 1.00 0.00 C ATOM 1311 C MET A 84 -6.266 -10.978 -3.756 1.00 0.00 C ATOM 1312 O MET A 84 -6.900 -11.854 -4.343 1.00 0.00 O ATOM 1313 CB MET A 84 -3.983 -10.738 -2.769 1.00 0.00 C ATOM 1314 CG MET A 84 -2.630 -11.427 -2.954 1.00 0.00 C ATOM 1315 SD MET A 84 -2.822 -13.196 -2.820 1.00 0.00 S ATOM 1316 CE MET A 84 -2.041 -13.710 -4.340 1.00 0.00 C ATOM 0 H MET A 84 -3.901 -8.869 -4.347 1.00 0.00 H new ATOM 0 HA MET A 84 -4.440 -11.555 -4.716 1.00 0.00 H new ATOM 0 HB2 MET A 84 -3.830 -9.710 -2.439 1.00 0.00 H new ATOM 0 HB3 MET A 84 -4.548 -11.243 -1.986 1.00 0.00 H new ATOM 0 HG2 MET A 84 -2.213 -11.171 -3.928 1.00 0.00 H new ATOM 0 HG3 MET A 84 -1.926 -11.071 -2.202 1.00 0.00 H new ATOM 0 HE1 MET A 84 -2.074 -14.797 -4.416 1.00 0.00 H new ATOM 0 HE2 MET A 84 -2.568 -13.271 -5.187 1.00 0.00 H new ATOM 0 HE3 MET A 84 -1.003 -13.377 -4.347 1.00 0.00 H new ATOM 1326 N TYR A 85 -6.773 -10.177 -2.831 1.00 0.00 N ATOM 1327 CA TYR A 85 -8.166 -10.283 -2.431 1.00 0.00 C ATOM 1328 C TYR A 85 -9.056 -10.616 -3.630 1.00 0.00 C ATOM 1329 O TYR A 85 -9.691 -11.669 -3.663 1.00 0.00 O ATOM 1330 CB TYR A 85 -8.555 -8.906 -1.889 1.00 0.00 C ATOM 1331 CG TYR A 85 -9.575 -8.952 -0.750 1.00 0.00 C ATOM 1332 CD1 TYR A 85 -9.175 -9.312 0.521 1.00 0.00 C ATOM 1333 CD2 TYR A 85 -10.896 -8.632 -0.993 1.00 0.00 C ATOM 1334 CE1 TYR A 85 -10.135 -9.355 1.593 1.00 0.00 C ATOM 1335 CE2 TYR A 85 -11.856 -8.675 0.079 1.00 0.00 C ATOM 1336 CZ TYR A 85 -11.428 -9.034 1.319 1.00 0.00 C ATOM 1337 OH TYR A 85 -12.335 -9.075 2.332 1.00 0.00 O ATOM 0 H TYR A 85 -6.244 -9.452 -2.347 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.294 -11.074 -1.693 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.657 -8.398 -1.538 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.962 -8.308 -2.704 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -8.142 -9.561 0.711 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -11.209 -8.349 -1.987 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.835 -9.636 2.592 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -12.892 -8.428 -0.097 1.00 0.00 H new ATOM 0 HH TYR A 85 -13.218 -8.821 1.991 1.00 0.00 H new ATOM 1347 N SER A 86 -9.075 -9.698 -4.586 1.00 0.00 N ATOM 1348 CA SER A 86 -9.877 -9.881 -5.784 1.00 0.00 C ATOM 1349 C SER A 86 -9.566 -11.238 -6.420 1.00 0.00 C ATOM 1350 O SER A 86 -10.468 -11.925 -6.896 1.00 0.00 O ATOM 1351 CB SER A 86 -9.630 -8.755 -6.789 1.00 0.00 C ATOM 1352 OG SER A 86 -10.802 -8.439 -7.535 1.00 0.00 O ATOM 0 H SER A 86 -8.548 -8.825 -4.555 1.00 0.00 H new ATOM 0 HA SER A 86 -10.929 -9.853 -5.499 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.286 -7.866 -6.260 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.833 -9.048 -7.473 1.00 0.00 H new ATOM 0 HG SER A 86 -10.604 -7.714 -8.164 1.00 0.00 H new ATOM 1358 N ASP A 87 -8.287 -11.583 -6.406 1.00 0.00 N ATOM 1359 CA ASP A 87 -7.846 -12.845 -6.975 1.00 0.00 C ATOM 1360 C ASP A 87 -8.625 -13.991 -6.328 1.00 0.00 C ATOM 1361 O ASP A 87 -9.048 -14.922 -7.011 1.00 0.00 O ATOM 1362 CB ASP A 87 -6.356 -13.077 -6.712 1.00 0.00 C ATOM 1363 CG ASP A 87 -5.641 -13.933 -7.759 1.00 0.00 C ATOM 1364 OD1 ASP A 87 -5.979 -15.109 -7.962 1.00 0.00 O ATOM 1365 OD2 ASP A 87 -4.685 -13.339 -8.388 1.00 0.00 O ATOM 0 H ASP A 87 -7.542 -11.010 -6.009 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.021 -12.810 -8.050 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.858 -12.109 -6.654 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.244 -13.552 -5.738 1.00 0.00 H new ATOM 1370 N TYR A 88 -8.790 -13.886 -5.018 1.00 0.00 N ATOM 1371 CA TYR A 88 -9.511 -14.903 -4.271 1.00 0.00 C ATOM 1372 C TYR A 88 -10.702 -15.432 -5.073 1.00 0.00 C ATOM 1373 O TYR A 88 -11.049 -16.608 -4.972 1.00 0.00 O ATOM 1374 CB TYR A 88 -10.029 -14.211 -3.008 1.00 0.00 C ATOM 1375 CG TYR A 88 -10.562 -15.173 -1.945 1.00 0.00 C ATOM 1376 CD1 TYR A 88 -9.703 -15.711 -1.009 1.00 0.00 C ATOM 1377 CD2 TYR A 88 -11.902 -15.503 -1.922 1.00 0.00 C ATOM 1378 CE1 TYR A 88 -10.205 -16.617 -0.008 1.00 0.00 C ATOM 1379 CE2 TYR A 88 -12.404 -16.408 -0.922 1.00 0.00 C ATOM 1380 CZ TYR A 88 -11.531 -16.921 -0.014 1.00 0.00 C ATOM 1381 OH TYR A 88 -12.005 -17.776 0.931 1.00 0.00 O ATOM 0 H TYR A 88 -8.437 -13.113 -4.454 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.860 -15.748 -4.048 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.224 -13.618 -2.575 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.822 -13.517 -3.286 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.654 -15.453 -1.027 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -12.574 -15.082 -2.655 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -9.544 -17.045 0.731 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -13.450 -16.674 -0.893 1.00 0.00 H new ATOM 0 HH TYR A 88 -12.969 -17.900 0.806 1.00 0.00 H new ATOM 1391 N VAL A 89 -11.294 -14.538 -5.851 1.00 0.00 N ATOM 1392 CA VAL A 89 -12.439 -14.900 -6.670 1.00 0.00 C ATOM 1393 C VAL A 89 -12.159 -16.231 -7.369 1.00 0.00 C ATOM 1394 O VAL A 89 -11.016 -16.525 -7.719 1.00 0.00 O ATOM 1395 CB VAL A 89 -12.762 -13.768 -7.646 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -11.772 -13.749 -8.812 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -14.202 -13.874 -8.152 1.00 0.00 C ATOM 0 H VAL A 89 -11.003 -13.564 -5.932 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.325 -15.039 -6.050 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.664 -12.825 -7.108 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -12.025 -12.934 -9.491 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.762 -13.602 -8.429 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.823 -14.697 -9.348 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -14.405 -13.057 -8.844 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -14.338 -14.826 -8.664 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.889 -13.814 -7.308 1.00 0.00 H new