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 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 85:sc= -0.143 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= -0.0179 K(o=-0.018,f=-1.2) 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 6.166 -5.531 -9.904 1.00 0.00 N ATOM 245 CA CYS A 16 5.018 -6.323 -9.498 1.00 0.00 C ATOM 246 C CYS A 16 5.416 -7.155 -8.277 1.00 0.00 C ATOM 247 O CYS A 16 4.842 -6.997 -7.200 1.00 0.00 O ATOM 248 CB CYS A 16 4.503 -7.200 -10.642 1.00 0.00 C ATOM 249 SG CYS A 16 2.677 -7.112 -10.723 1.00 0.00 S ATOM 0 HA CYS A 16 4.192 -5.662 -9.233 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.934 -6.869 -11.587 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.819 -8.232 -10.491 1.00 0.00 H new ATOM 0 HG CYS A 16 2.249 -7.858 -11.698 1.00 0.00 H new ATOM 255 N VAL A 17 6.396 -8.022 -8.485 1.00 0.00 N ATOM 256 CA VAL A 17 6.877 -8.878 -7.414 1.00 0.00 C ATOM 257 C VAL A 17 8.402 -8.784 -7.338 1.00 0.00 C ATOM 258 O VAL A 17 8.949 -8.290 -6.354 1.00 0.00 O ATOM 259 CB VAL A 17 6.376 -10.309 -7.623 1.00 0.00 C ATOM 260 CG1 VAL A 17 6.869 -11.231 -6.506 1.00 0.00 C ATOM 261 CG2 VAL A 17 4.851 -10.345 -7.732 1.00 0.00 C ATOM 0 H VAL A 17 6.870 -8.150 -9.379 1.00 0.00 H new ATOM 0 HA VAL A 17 6.482 -8.546 -6.454 1.00 0.00 H new ATOM 0 HB VAL A 17 6.787 -10.674 -8.564 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.499 -12.242 -6.678 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.959 -11.240 -6.496 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.501 -10.869 -5.546 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.521 -11.373 -7.880 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.411 -9.951 -6.816 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.532 -9.736 -8.578 1.00 0.00 H new ATOM 271 N SER A 18 9.046 -9.266 -8.391 1.00 0.00 N ATOM 272 CA SER A 18 10.498 -9.243 -8.456 1.00 0.00 C ATOM 273 C SER A 18 11.087 -9.979 -7.252 1.00 0.00 C ATOM 274 O SER A 18 10.355 -10.401 -6.358 1.00 0.00 O ATOM 275 CB SER A 18 11.023 -7.807 -8.510 1.00 0.00 C ATOM 276 OG SER A 18 11.912 -7.605 -9.605 1.00 0.00 O ATOM 0 H SER A 18 8.589 -9.675 -9.206 1.00 0.00 H new ATOM 0 HA SER A 18 10.808 -9.749 -9.370 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.183 -7.117 -8.592 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.537 -7.574 -7.578 1.00 0.00 H new ATOM 0 HG SER A 18 12.224 -6.676 -9.606 1.00 0.00 H new ATOM 282 N GLU A 19 12.406 -10.111 -7.267 1.00 0.00 N ATOM 283 CA GLU A 19 13.102 -10.790 -6.187 1.00 0.00 C ATOM 284 C GLU A 19 12.867 -10.060 -4.863 1.00 0.00 C ATOM 285 O GLU A 19 12.965 -10.660 -3.793 1.00 0.00 O ATOM 286 CB GLU A 19 14.597 -10.910 -6.489 1.00 0.00 C ATOM 287 CG GLU A 19 15.065 -12.362 -6.372 1.00 0.00 C ATOM 288 CD GLU A 19 16.412 -12.448 -5.650 1.00 0.00 C ATOM 289 OE1 GLU A 19 16.428 -11.941 -4.464 1.00 0.00 O ATOM 290 OE2 GLU A 19 17.383 -12.975 -6.212 1.00 0.00 O ATOM 0 H GLU A 19 13.010 -9.759 -8.010 1.00 0.00 H new ATOM 0 HA GLU A 19 12.700 -11.799 -6.099 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.800 -10.539 -7.494 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.163 -10.285 -5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.320 -12.945 -5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.152 -12.801 -7.366 1.00 0.00 H new ATOM 297 N LYS A 20 12.562 -8.776 -4.978 1.00 0.00 N ATOM 298 CA LYS A 20 12.312 -7.958 -3.803 1.00 0.00 C ATOM 299 C LYS A 20 11.074 -8.484 -3.074 1.00 0.00 C ATOM 300 O LYS A 20 11.175 -8.985 -1.955 1.00 0.00 O ATOM 301 CB LYS A 20 12.217 -6.480 -4.189 1.00 0.00 C ATOM 302 CG LYS A 20 12.735 -5.584 -3.062 1.00 0.00 C ATOM 303 CD LYS A 20 12.705 -4.111 -3.475 1.00 0.00 C ATOM 304 CE LYS A 20 11.285 -3.549 -3.397 1.00 0.00 C ATOM 305 NZ LYS A 20 10.957 -3.160 -2.007 1.00 0.00 N ATOM 0 H LYS A 20 12.482 -8.282 -5.867 1.00 0.00 H new ATOM 0 HA LYS A 20 13.147 -8.028 -3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.794 -6.300 -5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.181 -6.225 -4.414 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.126 -5.728 -2.169 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.754 -5.872 -2.803 1.00 0.00 H new ATOM 0 HD2 LYS A 20 13.364 -3.534 -2.826 1.00 0.00 H new ATOM 0 HD3 LYS A 20 13.086 -4.007 -4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.193 -2.684 -4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.573 -4.295 -3.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.989 -2.780 -1.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.025 -3.993 -1.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.626 -2.433 -1.683 1.00 0.00 H new ATOM 319 N LEU A 21 9.935 -8.352 -3.738 1.00 0.00 N ATOM 320 CA LEU A 21 8.679 -8.808 -3.167 1.00 0.00 C ATOM 321 C LEU A 21 8.814 -10.276 -2.756 1.00 0.00 C ATOM 322 O LEU A 21 8.433 -10.651 -1.648 1.00 0.00 O ATOM 323 CB LEU A 21 7.524 -8.545 -4.135 1.00 0.00 C ATOM 324 CG LEU A 21 6.127 -8.490 -3.513 1.00 0.00 C ATOM 325 CD1 LEU A 21 5.298 -7.359 -4.124 1.00 0.00 C ATOM 326 CD2 LEU A 21 5.423 -9.844 -3.628 1.00 0.00 C ATOM 0 H LEU A 21 9.856 -7.936 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 21 8.444 -8.244 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.711 -7.599 -4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.530 -9.324 -4.897 1.00 0.00 H new ATOM 0 HG LEU A 21 6.234 -8.271 -2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.310 -7.343 -3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.796 -6.406 -3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.196 -7.521 -5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.432 -9.778 -3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.327 -10.116 -4.679 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.007 -10.603 -3.108 1.00 0.00 H new ATOM 338 N LEU A 22 9.357 -11.066 -3.670 1.00 0.00 N ATOM 339 CA LEU A 22 9.547 -12.484 -3.416 1.00 0.00 C ATOM 340 C LEU A 22 10.115 -12.674 -2.009 1.00 0.00 C ATOM 341 O LEU A 22 9.493 -13.319 -1.166 1.00 0.00 O ATOM 342 CB LEU A 22 10.404 -13.115 -4.516 1.00 0.00 C ATOM 343 CG LEU A 22 10.414 -14.645 -4.563 1.00 0.00 C ATOM 344 CD1 LEU A 22 10.548 -15.236 -3.159 1.00 0.00 C ATOM 345 CD2 LEU A 22 9.181 -15.178 -5.295 1.00 0.00 C ATOM 0 H LEU A 22 9.672 -10.751 -4.588 1.00 0.00 H new ATOM 0 HA LEU A 22 8.592 -13.008 -3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.055 -12.744 -5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.430 -12.768 -4.394 1.00 0.00 H new ATOM 0 HG LEU A 22 11.288 -14.964 -5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.552 -16.324 -3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.480 -14.895 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.707 -14.911 -2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.212 -16.267 -5.315 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.280 -14.850 -4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.171 -14.797 -6.316 1.00 0.00 H new ATOM 357 N ARG A 23 11.291 -12.101 -1.797 1.00 0.00 N ATOM 358 CA ARG A 23 11.950 -12.200 -0.506 1.00 0.00 C ATOM 359 C ARG A 23 11.009 -11.736 0.607 1.00 0.00 C ATOM 360 O ARG A 23 10.932 -12.363 1.662 1.00 0.00 O ATOM 361 CB ARG A 23 13.225 -11.354 -0.472 1.00 0.00 C ATOM 362 CG ARG A 23 14.421 -12.183 -0.001 1.00 0.00 C ATOM 363 CD ARG A 23 14.945 -11.676 1.343 1.00 0.00 C ATOM 364 NE ARG A 23 15.467 -12.807 2.143 1.00 0.00 N ATOM 365 CZ ARG A 23 16.396 -12.682 3.114 1.00 0.00 C ATOM 366 NH1 ARG A 23 16.914 -11.472 3.416 1.00 0.00 N ATOM 367 NH2 ARG A 23 16.789 -13.761 3.765 1.00 0.00 N ATOM 0 H ARG A 23 11.804 -11.567 -2.498 1.00 0.00 H new ATOM 0 HA ARG A 23 12.217 -13.245 -0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.425 -10.952 -1.465 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.083 -10.503 0.194 1.00 0.00 H new ATOM 0 HG2 ARG A 23 14.129 -13.229 0.090 1.00 0.00 H new ATOM 0 HG3 ARG A 23 15.216 -12.137 -0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 23 15.733 -10.940 1.181 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.146 -11.173 1.888 1.00 0.00 H new ATOM 0 HE ARG A 23 15.102 -13.739 1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.604 -10.643 2.909 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.616 -11.387 4.151 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.391 -14.671 3.531 1.00 0.00 H new ATOM 0 HH22 ARG A 23 17.490 -13.685 4.502 1.00 0.00 H new ATOM 381 N LYS A 24 10.315 -10.640 0.334 1.00 0.00 N ATOM 382 CA LYS A 24 9.382 -10.085 1.299 1.00 0.00 C ATOM 383 C LYS A 24 8.415 -11.180 1.756 1.00 0.00 C ATOM 384 O LYS A 24 8.121 -11.297 2.944 1.00 0.00 O ATOM 385 CB LYS A 24 8.685 -8.851 0.722 1.00 0.00 C ATOM 386 CG LYS A 24 8.535 -7.759 1.783 1.00 0.00 C ATOM 387 CD LYS A 24 7.171 -7.848 2.472 1.00 0.00 C ATOM 388 CE LYS A 24 7.313 -8.374 3.901 1.00 0.00 C ATOM 389 NZ LYS A 24 7.158 -7.272 4.877 1.00 0.00 N ATOM 0 H LYS A 24 10.381 -10.122 -0.542 1.00 0.00 H new ATOM 0 HA LYS A 24 9.913 -9.738 2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.258 -8.467 -0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.703 -9.129 0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.328 -7.856 2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.649 -6.779 1.320 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.702 -6.864 2.488 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.514 -8.505 1.902 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.562 -9.142 4.088 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.288 -8.844 4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.257 -7.647 5.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.890 -6.553 4.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.218 -6.841 4.768 1.00 0.00 H new ATOM 403 N THR A 25 7.948 -11.954 0.787 1.00 0.00 N ATOM 404 CA THR A 25 7.021 -13.035 1.075 1.00 0.00 C ATOM 405 C THR A 25 7.692 -14.093 1.954 1.00 0.00 C ATOM 406 O THR A 25 8.907 -14.274 1.895 1.00 0.00 O ATOM 407 CB THR A 25 6.510 -13.587 -0.257 1.00 0.00 C ATOM 408 OG1 THR A 25 5.809 -12.492 -0.841 1.00 0.00 O ATOM 409 CG2 THR A 25 5.436 -14.661 -0.073 1.00 0.00 C ATOM 0 H THR A 25 8.194 -11.854 -0.198 1.00 0.00 H new ATOM 0 HA THR A 25 6.164 -12.679 1.646 1.00 0.00 H new ATOM 0 HB THR A 25 7.345 -14.002 -0.822 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.446 -12.762 -1.710 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.108 -15.019 -1.049 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.847 -15.493 0.499 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.586 -14.238 0.463 1.00 0.00 H new ATOM 417 N ARG A 26 6.870 -14.763 2.748 1.00 0.00 N ATOM 418 CA ARG A 26 7.368 -15.798 3.638 1.00 0.00 C ATOM 419 C ARG A 26 6.203 -16.575 4.254 1.00 0.00 C ATOM 420 O ARG A 26 5.770 -16.275 5.365 1.00 0.00 O ATOM 421 CB ARG A 26 8.220 -15.198 4.758 1.00 0.00 C ATOM 422 CG ARG A 26 9.236 -16.216 5.280 1.00 0.00 C ATOM 423 CD ARG A 26 9.217 -16.275 6.809 1.00 0.00 C ATOM 424 NE ARG A 26 10.174 -17.299 7.288 1.00 0.00 N ATOM 425 CZ ARG A 26 10.097 -17.901 8.493 1.00 0.00 C ATOM 426 NH1 ARG A 26 9.105 -17.587 9.354 1.00 0.00 N ATOM 427 NH2 ARG A 26 11.006 -18.802 8.818 1.00 0.00 N ATOM 0 H ARG A 26 5.863 -14.609 2.794 1.00 0.00 H new ATOM 0 HA ARG A 26 7.987 -16.473 3.047 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.742 -14.315 4.389 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.576 -14.871 5.574 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.012 -17.201 4.872 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.235 -15.948 4.935 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.477 -15.300 7.222 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.212 -16.512 7.160 1.00 0.00 H new ATOM 0 HE ARG A 26 10.939 -17.566 6.668 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.407 -16.890 9.095 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.054 -18.047 10.263 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.752 -19.034 8.162 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.962 -19.266 9.725 1.00 0.00 H new ATOM 441 N GLU A 27 5.729 -17.560 3.505 1.00 0.00 N ATOM 442 CA GLU A 27 4.622 -18.382 3.963 1.00 0.00 C ATOM 443 C GLU A 27 3.536 -17.508 4.593 1.00 0.00 C ATOM 444 O GLU A 27 3.511 -16.296 4.383 1.00 0.00 O ATOM 445 CB GLU A 27 5.103 -19.451 4.945 1.00 0.00 C ATOM 446 CG GLU A 27 4.684 -20.849 4.484 1.00 0.00 C ATOM 447 CD GLU A 27 4.244 -21.709 5.671 1.00 0.00 C ATOM 448 OE1 GLU A 27 3.249 -21.385 6.336 1.00 0.00 O ATOM 449 OE2 GLU A 27 4.977 -22.747 5.893 1.00 0.00 O ATOM 0 H GLU A 27 6.091 -17.807 2.584 1.00 0.00 H new ATOM 0 HA GLU A 27 4.194 -18.893 3.101 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.188 -19.404 5.036 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.692 -19.252 5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.868 -20.770 3.766 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.516 -21.331 3.970 1.00 0.00 H new ATOM 456 N SER A 28 2.665 -18.156 5.351 1.00 0.00 N ATOM 457 CA SER A 28 1.579 -17.453 6.013 1.00 0.00 C ATOM 458 C SER A 28 0.645 -16.834 4.971 1.00 0.00 C ATOM 459 O SER A 28 1.103 -16.245 3.994 1.00 0.00 O ATOM 460 CB SER A 28 2.116 -16.372 6.954 1.00 0.00 C ATOM 461 OG SER A 28 2.013 -16.757 8.322 1.00 0.00 O ATOM 0 H SER A 28 2.689 -19.161 5.522 1.00 0.00 H new ATOM 0 HA SER A 28 1.020 -18.172 6.611 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.159 -16.166 6.713 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.564 -15.446 6.795 1.00 0.00 H new ATOM 0 HG SER A 28 2.367 -16.042 8.891 1.00 0.00 H new ATOM 467 N PRO A 29 -0.682 -16.993 5.223 1.00 0.00 N ATOM 468 CA PRO A 29 -1.685 -16.456 4.318 1.00 0.00 C ATOM 469 C PRO A 29 -1.803 -14.939 4.469 1.00 0.00 C ATOM 470 O PRO A 29 -0.996 -14.315 5.157 1.00 0.00 O ATOM 471 CB PRO A 29 -2.968 -17.190 4.673 1.00 0.00 C ATOM 472 CG PRO A 29 -2.747 -17.767 6.062 1.00 0.00 C ATOM 473 CD PRO A 29 -1.261 -17.685 6.370 1.00 0.00 C ATOM 0 HA PRO A 29 -1.431 -16.610 3.269 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -3.821 -16.512 4.663 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -3.179 -17.979 3.951 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -3.322 -17.210 6.802 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -3.089 -18.801 6.105 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.078 -17.139 7.295 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.827 -18.677 6.494 1.00 0.00 H new ATOM 481 N LEU A 30 -2.815 -14.388 3.814 1.00 0.00 N ATOM 482 CA LEU A 30 -3.049 -12.955 3.867 1.00 0.00 C ATOM 483 C LEU A 30 -4.164 -12.661 4.872 1.00 0.00 C ATOM 484 O LEU A 30 -4.300 -11.533 5.342 1.00 0.00 O ATOM 485 CB LEU A 30 -3.323 -12.405 2.465 1.00 0.00 C ATOM 486 CG LEU A 30 -2.140 -11.735 1.764 1.00 0.00 C ATOM 487 CD1 LEU A 30 -1.695 -10.481 2.518 1.00 0.00 C ATOM 488 CD2 LEU A 30 -0.989 -12.724 1.566 1.00 0.00 C ATOM 0 H LEU A 30 -3.482 -14.908 3.244 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.158 -12.436 4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.675 -13.224 1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.136 -11.683 2.532 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.465 -11.416 0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.853 -10.024 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.521 -9.772 2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.393 -10.753 3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.161 -12.223 1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.657 -13.094 2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.329 -13.560 0.955 1.00 0.00 H new ATOM 500 N VAL A 31 -4.935 -13.697 5.172 1.00 0.00 N ATOM 501 CA VAL A 31 -6.034 -13.564 6.113 1.00 0.00 C ATOM 502 C VAL A 31 -5.554 -12.798 7.347 1.00 0.00 C ATOM 503 O VAL A 31 -6.198 -11.844 7.779 1.00 0.00 O ATOM 504 CB VAL A 31 -6.604 -14.943 6.449 1.00 0.00 C ATOM 505 CG1 VAL A 31 -6.924 -15.054 7.942 1.00 0.00 C ATOM 506 CG2 VAL A 31 -7.839 -15.248 5.600 1.00 0.00 C ATOM 0 H VAL A 31 -4.820 -14.632 4.780 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.848 -12.989 5.671 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.843 -15.687 6.212 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.328 -16.044 8.155 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.014 -14.901 8.522 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.659 -14.296 8.214 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.224 -16.234 5.859 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.606 -14.497 5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.568 -15.230 4.544 1.00 0.00 H new ATOM 516 N PRO A 32 -4.396 -13.256 7.893 1.00 0.00 N ATOM 517 CA PRO A 32 -3.821 -12.624 9.069 1.00 0.00 C ATOM 518 C PRO A 32 -3.164 -11.290 8.709 1.00 0.00 C ATOM 519 O PRO A 32 -3.749 -10.229 8.922 1.00 0.00 O ATOM 520 CB PRO A 32 -2.836 -13.642 9.620 1.00 0.00 C ATOM 521 CG PRO A 32 -2.553 -14.608 8.481 1.00 0.00 C ATOM 522 CD PRO A 32 -3.605 -14.383 7.407 1.00 0.00 C ATOM 0 HA PRO A 32 -4.570 -12.368 9.818 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.920 -13.156 9.957 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.255 -14.164 10.480 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.554 -14.441 8.078 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.585 -15.638 8.837 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.146 -14.159 6.444 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.223 -15.270 7.267 1.00 0.00 H new ATOM 530 N ILE A 33 -1.958 -11.387 8.169 1.00 0.00 N ATOM 531 CA ILE A 33 -1.216 -10.201 7.778 1.00 0.00 C ATOM 532 C ILE A 33 -2.182 -9.170 7.192 1.00 0.00 C ATOM 533 O ILE A 33 -1.974 -7.966 7.338 1.00 0.00 O ATOM 534 CB ILE A 33 -0.069 -10.574 6.836 1.00 0.00 C ATOM 535 CG1 ILE A 33 0.916 -11.524 7.520 1.00 0.00 C ATOM 536 CG2 ILE A 33 0.624 -9.322 6.294 1.00 0.00 C ATOM 537 CD1 ILE A 33 1.137 -12.783 6.680 1.00 0.00 C ATOM 0 H ILE A 33 -1.476 -12.269 7.993 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.748 -9.741 8.648 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.488 -11.106 5.982 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.867 -11.016 7.677 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.536 -11.801 8.504 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.435 -9.615 5.627 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.097 -8.716 5.744 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.028 -8.742 7.124 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.841 -13.441 7.189 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.188 -13.302 6.545 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.540 -12.505 5.706 1.00 0.00 H new ATOM 549 N GLY A 34 -3.218 -9.679 6.542 1.00 0.00 N ATOM 550 CA GLY A 34 -4.217 -8.817 5.934 1.00 0.00 C ATOM 551 C GLY A 34 -5.062 -8.119 7.002 1.00 0.00 C ATOM 552 O GLY A 34 -5.188 -6.895 6.997 1.00 0.00 O ATOM 0 H GLY A 34 -3.387 -10.678 6.423 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.727 -8.071 5.308 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.862 -9.406 5.282 1.00 0.00 H new ATOM 556 N LEU A 35 -5.620 -8.927 7.891 1.00 0.00 N ATOM 557 CA LEU A 35 -6.449 -8.402 8.963 1.00 0.00 C ATOM 558 C LEU A 35 -5.696 -7.282 9.683 1.00 0.00 C ATOM 559 O LEU A 35 -6.280 -6.253 10.019 1.00 0.00 O ATOM 560 CB LEU A 35 -6.905 -9.531 9.889 1.00 0.00 C ATOM 561 CG LEU A 35 -8.279 -9.353 10.538 1.00 0.00 C ATOM 562 CD1 LEU A 35 -9.343 -10.170 9.802 1.00 0.00 C ATOM 563 CD2 LEU A 35 -8.230 -9.689 12.030 1.00 0.00 C ATOM 0 H LEU A 35 -5.514 -9.942 7.891 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.362 -7.964 8.559 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.912 -10.461 9.320 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.164 -9.647 10.680 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.562 -8.304 10.454 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.310 -10.026 10.284 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.401 -9.841 8.765 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.076 -11.226 9.833 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.220 -9.554 12.466 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.915 -10.724 12.160 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.521 -9.028 12.529 1.00 0.00 H new ATOM 575 N GLY A 36 -4.410 -7.519 9.897 1.00 0.00 N ATOM 576 CA GLY A 36 -3.571 -6.543 10.571 1.00 0.00 C ATOM 577 C GLY A 36 -3.458 -5.257 9.750 1.00 0.00 C ATOM 578 O GLY A 36 -3.990 -4.219 10.139 1.00 0.00 O ATOM 0 H GLY A 36 -3.929 -8.373 9.615 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.987 -6.317 11.553 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.578 -6.963 10.735 1.00 0.00 H new ATOM 582 N GLY A 37 -2.761 -5.369 8.628 1.00 0.00 N ATOM 583 CA GLY A 37 -2.571 -4.229 7.748 1.00 0.00 C ATOM 584 C GLY A 37 -3.910 -3.568 7.410 1.00 0.00 C ATOM 585 O GLY A 37 -3.947 -2.411 6.996 1.00 0.00 O ATOM 0 H GLY A 37 -2.321 -6.232 8.309 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.913 -3.503 8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.079 -4.551 6.831 1.00 0.00 H new ATOM 589 N CYS A 38 -4.975 -4.333 7.599 1.00 0.00 N ATOM 590 CA CYS A 38 -6.312 -3.836 7.319 1.00 0.00 C ATOM 591 C CYS A 38 -6.708 -2.868 8.436 1.00 0.00 C ATOM 592 O CYS A 38 -6.801 -1.662 8.213 1.00 0.00 O ATOM 593 CB CYS A 38 -7.319 -4.978 7.170 1.00 0.00 C ATOM 594 SG CYS A 38 -7.423 -5.495 5.417 1.00 0.00 S ATOM 0 H CYS A 38 -4.940 -5.293 7.942 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.315 -3.309 6.365 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.018 -5.823 7.790 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.300 -4.658 7.522 1.00 0.00 H new ATOM 0 HG CYS A 38 -6.476 -6.348 5.159 1.00 0.00 H new ATOM 600 N LEU A 39 -6.931 -3.433 9.614 1.00 0.00 N ATOM 601 CA LEU A 39 -7.315 -2.635 10.765 1.00 0.00 C ATOM 602 C LEU A 39 -6.482 -1.352 10.793 1.00 0.00 C ATOM 603 O LEU A 39 -6.987 -0.286 11.142 1.00 0.00 O ATOM 604 CB LEU A 39 -7.214 -3.462 12.049 1.00 0.00 C ATOM 605 CG LEU A 39 -8.144 -3.047 13.190 1.00 0.00 C ATOM 606 CD1 LEU A 39 -8.480 -4.241 14.085 1.00 0.00 C ATOM 607 CD2 LEU A 39 -7.551 -1.882 13.985 1.00 0.00 C ATOM 0 H LEU A 39 -6.853 -4.434 9.795 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.360 -2.335 10.688 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.417 -4.504 11.803 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.186 -3.413 12.409 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.081 -2.696 12.757 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.143 -3.919 14.888 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.975 -5.011 13.493 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.562 -4.645 14.512 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.232 -1.607 14.790 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.592 -2.181 14.408 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.406 -1.027 13.324 1.00 0.00 H new ATOM 619 N VAL A 40 -5.219 -1.497 10.419 1.00 0.00 N ATOM 620 CA VAL A 40 -4.310 -0.363 10.397 1.00 0.00 C ATOM 621 C VAL A 40 -4.747 0.613 9.303 1.00 0.00 C ATOM 622 O VAL A 40 -5.092 1.758 9.589 1.00 0.00 O ATOM 623 CB VAL A 40 -2.870 -0.850 10.223 1.00 0.00 C ATOM 624 CG1 VAL A 40 -1.926 0.320 9.942 1.00 0.00 C ATOM 625 CG2 VAL A 40 -2.409 -1.645 11.447 1.00 0.00 C ATOM 0 H VAL A 40 -4.804 -2.382 10.129 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.345 0.174 11.345 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.843 -1.516 9.361 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.909 -0.054 9.822 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.236 0.826 9.028 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.959 1.022 10.775 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.382 -1.980 11.298 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.459 -1.011 12.332 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.057 -2.511 11.583 1.00 0.00 H new ATOM 635 N VAL A 41 -4.717 0.124 8.071 1.00 0.00 N ATOM 636 CA VAL A 41 -5.105 0.939 6.933 1.00 0.00 C ATOM 637 C VAL A 41 -6.450 1.608 7.225 1.00 0.00 C ATOM 638 O VAL A 41 -6.525 2.828 7.355 1.00 0.00 O ATOM 639 CB VAL A 41 -5.125 0.087 5.662 1.00 0.00 C ATOM 640 CG1 VAL A 41 -6.083 0.674 4.623 1.00 0.00 C ATOM 641 CG2 VAL A 41 -3.717 -0.067 5.084 1.00 0.00 C ATOM 0 H VAL A 41 -4.430 -0.826 7.837 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.377 1.732 6.765 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.488 -0.905 5.929 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.078 0.049 3.730 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.091 0.709 5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.763 1.683 4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.759 -0.677 4.181 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.315 0.916 4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.073 -0.550 5.819 1.00 0.00 H new ATOM 651 N ALA A 42 -7.479 0.778 7.320 1.00 0.00 N ATOM 652 CA ALA A 42 -8.817 1.274 7.595 1.00 0.00 C ATOM 653 C ALA A 42 -8.740 2.384 8.645 1.00 0.00 C ATOM 654 O ALA A 42 -9.154 3.514 8.391 1.00 0.00 O ATOM 655 CB ALA A 42 -9.711 0.113 8.037 1.00 0.00 C ATOM 0 H ALA A 42 -7.413 -0.234 7.211 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.260 1.702 6.696 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.715 0.485 8.243 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.756 -0.634 7.244 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.299 -0.340 8.939 1.00 0.00 H new ATOM 661 N ALA A 43 -8.207 2.023 9.803 1.00 0.00 N ATOM 662 CA ALA A 43 -8.070 2.974 10.893 1.00 0.00 C ATOM 663 C ALA A 43 -7.617 4.324 10.332 1.00 0.00 C ATOM 664 O ALA A 43 -8.306 5.330 10.494 1.00 0.00 O ATOM 665 CB ALA A 43 -7.097 2.420 11.935 1.00 0.00 C ATOM 0 H ALA A 43 -7.865 1.085 10.010 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.027 3.128 11.391 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.994 3.134 12.753 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.479 1.476 12.323 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.124 2.255 11.473 1.00 0.00 H new ATOM 671 N TYR A 44 -6.461 4.302 9.684 1.00 0.00 N ATOM 672 CA TYR A 44 -5.909 5.511 9.098 1.00 0.00 C ATOM 673 C TYR A 44 -6.931 6.197 8.189 1.00 0.00 C ATOM 674 O TYR A 44 -7.151 7.402 8.295 1.00 0.00 O ATOM 675 CB TYR A 44 -4.713 5.063 8.255 1.00 0.00 C ATOM 676 CG TYR A 44 -3.356 5.325 8.911 1.00 0.00 C ATOM 677 CD1 TYR A 44 -2.877 4.462 9.875 1.00 0.00 C ATOM 678 CD2 TYR A 44 -2.611 6.425 8.538 1.00 0.00 C ATOM 679 CE1 TYR A 44 -1.600 4.708 10.492 1.00 0.00 C ATOM 680 CE2 TYR A 44 -1.333 6.672 9.155 1.00 0.00 C ATOM 681 CZ TYR A 44 -0.891 5.801 10.102 1.00 0.00 C ATOM 682 OH TYR A 44 0.316 6.034 10.685 1.00 0.00 O ATOM 0 H TYR A 44 -5.892 3.466 9.552 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.629 6.221 9.876 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.806 3.997 8.049 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.746 5.577 7.294 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.461 3.601 10.167 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.986 7.101 7.784 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.214 4.040 11.247 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.739 7.529 8.872 1.00 0.00 H new ATOM 0 HH TYR A 44 0.710 6.848 10.308 1.00 0.00 H new ATOM 692 N ARG A 45 -7.527 5.399 7.316 1.00 0.00 N ATOM 693 CA ARG A 45 -8.521 5.914 6.389 1.00 0.00 C ATOM 694 C ARG A 45 -9.588 6.710 7.142 1.00 0.00 C ATOM 695 O ARG A 45 -9.816 7.882 6.848 1.00 0.00 O ATOM 696 CB ARG A 45 -9.193 4.778 5.615 1.00 0.00 C ATOM 697 CG ARG A 45 -8.185 4.051 4.722 1.00 0.00 C ATOM 698 CD ARG A 45 -8.453 4.341 3.244 1.00 0.00 C ATOM 699 NE ARG A 45 -8.743 3.081 2.525 1.00 0.00 N ATOM 700 CZ ARG A 45 -9.899 2.392 2.639 1.00 0.00 C ATOM 701 NH1 ARG A 45 -10.885 2.838 3.445 1.00 0.00 N ATOM 702 NH2 ARG A 45 -10.050 1.277 1.949 1.00 0.00 N ATOM 0 H ARG A 45 -7.341 4.400 7.231 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.008 6.566 5.682 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.640 4.072 6.314 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.003 5.178 5.005 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.173 4.364 4.980 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.242 2.977 4.902 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.295 5.027 3.146 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.588 4.832 2.799 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.024 2.709 1.904 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.760 3.701 3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.755 2.312 3.526 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.300 0.948 1.341 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.917 0.745 2.024 1.00 0.00 H new ATOM 716 N ILE A 46 -10.213 6.041 8.100 1.00 0.00 N ATOM 717 CA ILE A 46 -11.251 6.671 8.898 1.00 0.00 C ATOM 718 C ILE A 46 -10.659 7.870 9.642 1.00 0.00 C ATOM 719 O ILE A 46 -11.360 8.842 9.917 1.00 0.00 O ATOM 720 CB ILE A 46 -11.917 5.646 9.817 1.00 0.00 C ATOM 721 CG1 ILE A 46 -13.180 6.224 10.460 1.00 0.00 C ATOM 722 CG2 ILE A 46 -10.930 5.123 10.863 1.00 0.00 C ATOM 723 CD1 ILE A 46 -14.434 5.528 9.928 1.00 0.00 C ATOM 0 H ILE A 46 -10.020 5.069 8.341 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.045 7.053 8.256 1.00 0.00 H new ATOM 0 HB ILE A 46 -12.225 4.794 9.211 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -13.127 6.108 11.543 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.239 7.293 10.257 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.430 4.396 11.503 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.087 4.647 10.362 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.569 5.953 11.470 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -15.317 5.958 10.401 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.497 5.667 8.849 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -14.383 4.463 10.155 1.00 0.00 H new ATOM 735 N TYR A 47 -9.374 7.761 9.946 1.00 0.00 N ATOM 736 CA TYR A 47 -8.679 8.824 10.652 1.00 0.00 C ATOM 737 C TYR A 47 -8.643 10.105 9.817 1.00 0.00 C ATOM 738 O TYR A 47 -8.938 11.188 10.321 1.00 0.00 O ATOM 739 CB TYR A 47 -7.248 8.326 10.863 1.00 0.00 C ATOM 740 CG TYR A 47 -6.609 8.801 12.169 1.00 0.00 C ATOM 741 CD1 TYR A 47 -6.988 8.232 13.369 1.00 0.00 C ATOM 742 CD2 TYR A 47 -5.655 9.798 12.149 1.00 0.00 C ATOM 743 CE1 TYR A 47 -6.387 8.679 14.599 1.00 0.00 C ATOM 744 CE2 TYR A 47 -5.054 10.244 13.378 1.00 0.00 C ATOM 745 CZ TYR A 47 -5.449 9.663 14.543 1.00 0.00 C ATOM 746 OH TYR A 47 -4.882 10.085 15.704 1.00 0.00 O ATOM 0 H TYR A 47 -8.796 6.953 9.716 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.184 9.054 11.590 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.248 7.236 10.846 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.632 8.658 10.027 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.735 7.452 13.385 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -5.359 10.244 11.211 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.674 8.243 15.544 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.306 11.023 13.376 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.229 10.790 15.512 1.00 0.00 H new ATOM 756 N ARG A 48 -8.280 9.940 8.553 1.00 0.00 N ATOM 757 CA ARG A 48 -8.202 11.070 7.643 1.00 0.00 C ATOM 758 C ARG A 48 -9.606 11.559 7.283 1.00 0.00 C ATOM 759 O ARG A 48 -9.875 12.759 7.312 1.00 0.00 O ATOM 760 CB ARG A 48 -7.455 10.693 6.361 1.00 0.00 C ATOM 761 CG ARG A 48 -6.785 11.919 5.737 1.00 0.00 C ATOM 762 CD ARG A 48 -5.510 12.293 6.496 1.00 0.00 C ATOM 763 NE ARG A 48 -5.758 13.477 7.349 1.00 0.00 N ATOM 764 CZ ARG A 48 -4.818 14.063 8.122 1.00 0.00 C ATOM 765 NH1 ARG A 48 -3.559 13.578 8.156 1.00 0.00 N ATOM 766 NH2 ARG A 48 -5.150 15.117 8.844 1.00 0.00 N ATOM 0 H ARG A 48 -8.037 9.041 8.138 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.655 11.866 8.148 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -6.702 9.936 6.583 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.150 10.251 5.647 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.545 11.715 4.694 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.478 12.760 5.746 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.183 11.454 7.110 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.706 12.504 5.791 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.697 13.875 7.353 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.311 12.763 7.595 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.855 14.027 8.742 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.104 15.477 8.813 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.453 15.572 9.433 1.00 0.00 H new ATOM 780 N LEU A 49 -10.463 10.605 6.950 1.00 0.00 N ATOM 781 CA LEU A 49 -11.833 10.925 6.585 1.00 0.00 C ATOM 782 C LEU A 49 -12.442 11.836 7.652 1.00 0.00 C ATOM 783 O LEU A 49 -12.735 13.000 7.385 1.00 0.00 O ATOM 784 CB LEU A 49 -12.634 9.644 6.339 1.00 0.00 C ATOM 785 CG LEU A 49 -13.697 9.719 5.241 1.00 0.00 C ATOM 786 CD1 LEU A 49 -14.804 10.706 5.617 1.00 0.00 C ATOM 787 CD2 LEU A 49 -13.066 10.052 3.888 1.00 0.00 C ATOM 0 H LEU A 49 -10.236 9.611 6.925 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.858 11.476 5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.936 8.845 6.088 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -13.122 9.359 7.271 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.160 8.737 5.146 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -15.547 10.741 4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -15.280 10.383 6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -14.375 11.698 5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -13.844 10.099 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -12.560 11.015 3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.344 9.279 3.623 1.00 0.00 H new ATOM 799 N ARG A 50 -12.614 11.272 8.838 1.00 0.00 N ATOM 800 CA ARG A 50 -13.182 12.019 9.947 1.00 0.00 C ATOM 801 C ARG A 50 -12.231 13.138 10.376 1.00 0.00 C ATOM 802 O ARG A 50 -11.101 13.216 9.897 1.00 0.00 O ATOM 803 CB ARG A 50 -13.458 11.106 11.143 1.00 0.00 C ATOM 804 CG ARG A 50 -14.960 10.893 11.336 1.00 0.00 C ATOM 805 CD ARG A 50 -15.367 9.470 10.950 1.00 0.00 C ATOM 806 NE ARG A 50 -16.555 9.054 11.728 1.00 0.00 N ATOM 807 CZ ARG A 50 -17.828 9.304 11.356 1.00 0.00 C ATOM 808 NH1 ARG A 50 -18.090 9.971 10.212 1.00 0.00 N ATOM 809 NH2 ARG A 50 -18.814 8.886 12.128 1.00 0.00 N ATOM 0 H ARG A 50 -12.370 10.306 9.055 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.125 12.449 9.608 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.967 10.144 10.992 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.030 11.544 12.045 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -15.227 11.082 12.376 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.513 11.610 10.730 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.586 9.422 9.883 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.541 8.784 11.137 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.402 8.547 12.600 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -17.323 10.291 9.621 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -19.055 10.155 9.939 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -18.608 8.383 12.991 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -19.782 9.067 11.862 1.00 0.00 H new ATOM 1045 N ARG A 65 3.772 14.646 5.442 1.00 0.00 N ATOM 1046 CA ARG A 65 4.832 13.673 5.241 1.00 0.00 C ATOM 1047 C ARG A 65 4.378 12.290 5.712 1.00 0.00 C ATOM 1048 O ARG A 65 4.642 11.287 5.050 1.00 0.00 O ATOM 1049 CB ARG A 65 6.098 14.073 6.000 1.00 0.00 C ATOM 1050 CG ARG A 65 5.804 14.280 7.487 1.00 0.00 C ATOM 1051 CD ARG A 65 7.039 14.803 8.223 1.00 0.00 C ATOM 1052 NE ARG A 65 6.680 15.985 9.037 1.00 0.00 N ATOM 1053 CZ ARG A 65 6.544 17.233 8.541 1.00 0.00 C ATOM 1054 NH1 ARG A 65 6.735 17.472 7.226 1.00 0.00 N ATOM 1055 NH2 ARG A 65 6.220 18.216 9.360 1.00 0.00 N ATOM 0 HA ARG A 65 5.057 13.642 4.175 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.857 13.300 5.880 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.506 14.990 5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.981 14.985 7.604 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.483 13.338 7.932 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.449 14.022 8.863 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.815 15.068 7.505 1.00 0.00 H new ATOM 0 HE ARG A 65 6.526 15.848 10.036 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.984 16.707 6.599 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.630 18.418 6.859 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.076 18.027 10.352 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.113 19.165 9.001 1.00 0.00 H new ATOM 1069 N VAL A 66 3.704 12.280 6.853 1.00 0.00 N ATOM 1070 CA VAL A 66 3.211 11.037 7.420 1.00 0.00 C ATOM 1071 C VAL A 66 2.156 10.438 6.488 1.00 0.00 C ATOM 1072 O VAL A 66 2.274 9.287 6.069 1.00 0.00 O ATOM 1073 CB VAL A 66 2.687 11.279 8.837 1.00 0.00 C ATOM 1074 CG1 VAL A 66 1.919 10.062 9.354 1.00 0.00 C ATOM 1075 CG2 VAL A 66 3.828 11.651 9.787 1.00 0.00 C ATOM 0 H VAL A 66 3.488 13.113 7.400 1.00 0.00 H new ATOM 0 HA VAL A 66 4.019 10.311 7.506 1.00 0.00 H new ATOM 0 HB VAL A 66 1.994 12.120 8.798 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.558 10.261 10.363 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.072 9.861 8.698 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.579 9.195 9.370 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.429 11.818 10.787 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.555 10.840 9.817 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.314 12.561 9.434 1.00 0.00 H new ATOM 1085 N ALA A 67 1.150 11.246 6.189 1.00 0.00 N ATOM 1086 CA ALA A 67 0.075 10.810 5.313 1.00 0.00 C ATOM 1087 C ALA A 67 0.649 10.480 3.934 1.00 0.00 C ATOM 1088 O ALA A 67 0.130 9.612 3.234 1.00 0.00 O ATOM 1089 CB ALA A 67 -1.004 11.893 5.252 1.00 0.00 C ATOM 0 H ALA A 67 1.056 12.200 6.537 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.393 9.905 5.700 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.810 11.567 4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.400 12.069 6.252 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.572 12.816 4.865 1.00 0.00 H new ATOM 1095 N ALA A 68 1.711 11.190 3.585 1.00 0.00 N ATOM 1096 CA ALA A 68 2.361 10.983 2.302 1.00 0.00 C ATOM 1097 C ALA A 68 2.942 9.569 2.251 1.00 0.00 C ATOM 1098 O ALA A 68 2.698 8.828 1.300 1.00 0.00 O ATOM 1099 CB ALA A 68 3.428 12.060 2.091 1.00 0.00 C ATOM 0 H ALA A 68 2.138 11.910 4.168 1.00 0.00 H new ATOM 0 HA ALA A 68 1.641 11.073 1.488 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.916 11.905 1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.960 13.044 2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.169 11.999 2.888 1.00 0.00 H new ATOM 1105 N GLN A 69 3.699 9.237 3.287 1.00 0.00 N ATOM 1106 CA GLN A 69 4.317 7.925 3.372 1.00 0.00 C ATOM 1107 C GLN A 69 3.246 6.832 3.352 1.00 0.00 C ATOM 1108 O GLN A 69 3.405 5.814 2.679 1.00 0.00 O ATOM 1109 CB GLN A 69 5.193 7.811 4.621 1.00 0.00 C ATOM 1110 CG GLN A 69 6.621 8.279 4.334 1.00 0.00 C ATOM 1111 CD GLN A 69 7.475 7.132 3.790 1.00 0.00 C ATOM 1112 OE1 GLN A 69 7.247 6.612 2.710 1.00 0.00 O ATOM 1113 NE2 GLN A 69 8.468 6.767 4.596 1.00 0.00 N ATOM 0 H GLN A 69 3.898 9.854 4.074 1.00 0.00 H new ATOM 0 HA GLN A 69 4.962 7.792 2.503 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.765 8.409 5.425 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.208 6.777 4.966 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.602 9.096 3.613 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.070 8.670 5.247 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.603 7.244 5.487 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.094 6.010 4.323 1.00 0.00 H new ATOM 1122 N ALA A 70 2.179 7.080 4.096 1.00 0.00 N ATOM 1123 CA ALA A 70 1.082 6.130 4.172 1.00 0.00 C ATOM 1124 C ALA A 70 0.372 6.067 2.818 1.00 0.00 C ATOM 1125 O ALA A 70 -0.220 5.047 2.470 1.00 0.00 O ATOM 1126 CB ALA A 70 0.138 6.530 5.308 1.00 0.00 C ATOM 0 H ALA A 70 2.050 7.925 4.652 1.00 0.00 H new ATOM 0 HA ALA A 70 1.455 5.130 4.395 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.685 5.818 5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.684 6.530 6.252 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.258 7.527 5.118 1.00 0.00 H new ATOM 1132 N CYS A 71 0.456 7.172 2.091 1.00 0.00 N ATOM 1133 CA CYS A 71 -0.171 7.255 0.783 1.00 0.00 C ATOM 1134 C CYS A 71 0.616 6.368 -0.184 1.00 0.00 C ATOM 1135 O CYS A 71 0.029 5.674 -1.013 1.00 0.00 O ATOM 1136 CB CYS A 71 -0.259 8.701 0.289 1.00 0.00 C ATOM 1137 SG CYS A 71 -1.995 9.276 0.343 1.00 0.00 S ATOM 0 H CYS A 71 0.948 8.016 2.383 1.00 0.00 H new ATOM 0 HA CYS A 71 -1.199 6.899 0.846 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.365 9.344 0.909 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.124 8.770 -0.729 1.00 0.00 H new ATOM 0 HG CYS A 71 -2.058 10.505 -0.076 1.00 0.00 H new ATOM 1143 N ALA A 72 1.933 6.420 -0.046 1.00 0.00 N ATOM 1144 CA ALA A 72 2.806 5.630 -0.898 1.00 0.00 C ATOM 1145 C ALA A 72 2.661 4.150 -0.536 1.00 0.00 C ATOM 1146 O ALA A 72 2.115 3.368 -1.314 1.00 0.00 O ATOM 1147 CB ALA A 72 4.246 6.127 -0.754 1.00 0.00 C ATOM 0 H ALA A 72 2.416 6.997 0.643 1.00 0.00 H new ATOM 0 HA ALA A 72 2.525 5.743 -1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.901 5.535 -1.393 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.301 7.175 -1.050 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.564 6.026 0.284 1.00 0.00 H new ATOM 1153 N VAL A 73 3.159 3.811 0.643 1.00 0.00 N ATOM 1154 CA VAL A 73 3.091 2.439 1.117 1.00 0.00 C ATOM 1155 C VAL A 73 1.646 1.944 1.030 1.00 0.00 C ATOM 1156 O VAL A 73 1.405 0.754 0.833 1.00 0.00 O ATOM 1157 CB VAL A 73 3.671 2.344 2.530 1.00 0.00 C ATOM 1158 CG1 VAL A 73 2.739 2.999 3.550 1.00 0.00 C ATOM 1159 CG2 VAL A 73 3.962 0.890 2.907 1.00 0.00 C ATOM 0 H VAL A 73 3.611 4.462 1.285 1.00 0.00 H new ATOM 0 HA VAL A 73 3.696 1.787 0.487 1.00 0.00 H new ATOM 0 HB VAL A 73 4.615 2.888 2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.175 2.918 4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.605 4.051 3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.772 2.496 3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.373 0.851 3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.038 0.312 2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.682 0.469 2.205 1.00 0.00 H new ATOM 1169 N GLY A 74 0.723 2.882 1.181 1.00 0.00 N ATOM 1170 CA GLY A 74 -0.692 2.556 1.121 1.00 0.00 C ATOM 1171 C GLY A 74 -1.103 2.156 -0.297 1.00 0.00 C ATOM 1172 O GLY A 74 -1.743 1.124 -0.494 1.00 0.00 O ATOM 0 H GLY A 74 0.927 3.868 1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.910 1.740 1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.281 3.414 1.446 1.00 0.00 H new ATOM 1176 N ALA A 75 -0.719 2.994 -1.249 1.00 0.00 N ATOM 1177 CA ALA A 75 -1.040 2.740 -2.643 1.00 0.00 C ATOM 1178 C ALA A 75 -0.491 1.370 -3.047 1.00 0.00 C ATOM 1179 O ALA A 75 -1.153 0.618 -3.761 1.00 0.00 O ATOM 1180 CB ALA A 75 -0.481 3.871 -3.509 1.00 0.00 C ATOM 0 H ALA A 75 -0.189 3.849 -1.082 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.120 2.719 -2.791 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.721 3.681 -4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.924 4.818 -3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.601 3.921 -3.389 1.00 0.00 H new ATOM 1186 N ILE A 76 0.714 1.088 -2.574 1.00 0.00 N ATOM 1187 CA ILE A 76 1.359 -0.178 -2.877 1.00 0.00 C ATOM 1188 C ILE A 76 0.635 -1.305 -2.137 1.00 0.00 C ATOM 1189 O ILE A 76 -0.030 -2.133 -2.757 1.00 0.00 O ATOM 1190 CB ILE A 76 2.856 -0.104 -2.571 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.561 0.870 -3.518 1.00 0.00 C ATOM 1192 CG2 ILE A 76 3.492 -1.495 -2.602 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.895 1.336 -2.931 1.00 0.00 C ATOM 0 H ILE A 76 1.261 1.715 -1.983 1.00 0.00 H new ATOM 0 HA ILE A 76 1.286 -0.397 -3.942 1.00 0.00 H new ATOM 0 HB ILE A 76 2.979 0.283 -1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.732 0.388 -4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.920 1.732 -3.703 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.556 -1.413 -2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.014 -2.130 -1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.359 -1.934 -3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.376 2.027 -3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.718 1.839 -1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.543 0.474 -2.770 1.00 0.00 H new ATOM 1205 N MET A 77 0.790 -1.299 -0.821 1.00 0.00 N ATOM 1206 CA MET A 77 0.159 -2.310 0.011 1.00 0.00 C ATOM 1207 C MET A 77 -1.270 -2.592 -0.457 1.00 0.00 C ATOM 1208 O MET A 77 -1.593 -3.717 -0.835 1.00 0.00 O ATOM 1209 CB MET A 77 0.136 -1.834 1.464 1.00 0.00 C ATOM 1210 CG MET A 77 0.060 -3.020 2.429 1.00 0.00 C ATOM 1211 SD MET A 77 1.693 -3.434 3.017 1.00 0.00 S ATOM 1212 CE MET A 77 1.333 -4.950 3.888 1.00 0.00 C ATOM 0 H MET A 77 1.343 -0.611 -0.311 1.00 0.00 H new ATOM 0 HA MET A 77 0.736 -3.231 -0.069 1.00 0.00 H new ATOM 0 HB2 MET A 77 1.031 -1.248 1.673 1.00 0.00 H new ATOM 0 HB3 MET A 77 -0.719 -1.177 1.622 1.00 0.00 H new ATOM 0 HG2 MET A 77 -0.587 -2.774 3.271 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.384 -3.880 1.927 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.251 -5.348 4.321 1.00 0.00 H new ATOM 0 HE2 MET A 77 0.613 -4.751 4.682 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.915 -5.678 3.193 1.00 0.00 H new ATOM 1222 N LEU A 78 -2.088 -1.550 -0.417 1.00 0.00 N ATOM 1223 CA LEU A 78 -3.475 -1.672 -0.832 1.00 0.00 C ATOM 1224 C LEU A 78 -3.532 -2.286 -2.232 1.00 0.00 C ATOM 1225 O LEU A 78 -4.125 -3.347 -2.425 1.00 0.00 O ATOM 1226 CB LEU A 78 -4.187 -0.321 -0.724 1.00 0.00 C ATOM 1227 CG LEU A 78 -5.684 -0.375 -0.411 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -6.406 -1.341 -1.353 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -5.924 -0.722 1.060 1.00 0.00 C ATOM 0 H LEU A 78 -1.817 -0.618 -0.104 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.014 -2.345 -0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.695 0.266 0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.051 0.215 -1.663 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.105 0.616 -0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.468 -1.361 -1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.276 -1.010 -2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.989 -2.341 -1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.996 -0.754 1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.486 -1.695 1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.462 0.036 1.693 1.00 0.00 H new ATOM 1241 N GLY A 79 -2.908 -1.594 -3.174 1.00 0.00 N ATOM 1242 CA GLY A 79 -2.880 -2.058 -4.550 1.00 0.00 C ATOM 1243 C GLY A 79 -2.723 -3.579 -4.613 1.00 0.00 C ATOM 1244 O GLY A 79 -3.612 -4.279 -5.094 1.00 0.00 O ATOM 0 H GLY A 79 -2.418 -0.715 -3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.799 -1.762 -5.056 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.056 -1.582 -5.081 1.00 0.00 H new ATOM 1248 N ALA A 80 -1.585 -4.045 -4.119 1.00 0.00 N ATOM 1249 CA ALA A 80 -1.300 -5.470 -4.113 1.00 0.00 C ATOM 1250 C ALA A 80 -2.471 -6.217 -3.470 1.00 0.00 C ATOM 1251 O ALA A 80 -3.039 -7.125 -4.075 1.00 0.00 O ATOM 1252 CB ALA A 80 0.022 -5.723 -3.386 1.00 0.00 C ATOM 0 H ALA A 80 -0.850 -3.461 -3.720 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.189 -5.844 -5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.236 -6.792 -3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.826 -5.194 -3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.053 -5.363 -2.360 1.00 0.00 H new ATOM 1258 N VAL A 81 -2.797 -5.806 -2.254 1.00 0.00 N ATOM 1259 CA VAL A 81 -3.890 -6.425 -1.523 1.00 0.00 C ATOM 1260 C VAL A 81 -5.081 -6.620 -2.463 1.00 0.00 C ATOM 1261 O VAL A 81 -5.413 -7.748 -2.825 1.00 0.00 O ATOM 1262 CB VAL A 81 -4.234 -5.589 -0.288 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -5.505 -6.107 0.388 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -3.063 -5.558 0.696 1.00 0.00 C ATOM 0 H VAL A 81 -2.324 -5.052 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.597 -7.410 -1.161 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.422 -4.567 -0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.727 -5.496 1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.338 -6.053 -0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.357 -7.142 0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.333 -4.958 1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.829 -6.574 1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.191 -5.121 0.210 1.00 0.00 H new ATOM 1274 N TYR A 82 -5.691 -5.504 -2.833 1.00 0.00 N ATOM 1275 CA TYR A 82 -6.838 -5.538 -3.724 1.00 0.00 C ATOM 1276 C TYR A 82 -6.669 -6.618 -4.795 1.00 0.00 C ATOM 1277 O TYR A 82 -7.519 -7.495 -4.936 1.00 0.00 O ATOM 1278 CB TYR A 82 -6.885 -4.167 -4.403 1.00 0.00 C ATOM 1279 CG TYR A 82 -8.164 -3.376 -4.119 1.00 0.00 C ATOM 1280 CD1 TYR A 82 -8.605 -3.221 -2.821 1.00 0.00 C ATOM 1281 CD2 TYR A 82 -8.876 -2.818 -5.161 1.00 0.00 C ATOM 1282 CE1 TYR A 82 -9.808 -2.476 -2.553 1.00 0.00 C ATOM 1283 CE2 TYR A 82 -10.079 -2.074 -4.894 1.00 0.00 C ATOM 1284 CZ TYR A 82 -10.486 -1.940 -3.603 1.00 0.00 C ATOM 1285 OH TYR A 82 -11.623 -1.236 -3.351 1.00 0.00 O ATOM 0 H TYR A 82 -5.412 -4.570 -2.532 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.749 -5.762 -3.169 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.027 -3.581 -4.075 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.785 -4.303 -5.480 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.048 -3.658 -2.006 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.531 -2.939 -6.177 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.164 -2.346 -1.542 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.646 -1.632 -5.700 1.00 0.00 H new ATOM 0 HH TYR A 82 -12.000 -0.911 -4.195 1.00 0.00 H new ATOM 1295 N THR A 83 -5.565 -6.519 -5.521 1.00 0.00 N ATOM 1296 CA THR A 83 -5.273 -7.476 -6.574 1.00 0.00 C ATOM 1297 C THR A 83 -5.440 -8.906 -6.056 1.00 0.00 C ATOM 1298 O THR A 83 -6.066 -9.738 -6.711 1.00 0.00 O ATOM 1299 CB THR A 83 -3.868 -7.182 -7.104 1.00 0.00 C ATOM 1300 OG1 THR A 83 -4.036 -6.014 -7.902 1.00 0.00 O ATOM 1301 CG2 THR A 83 -3.382 -8.243 -8.094 1.00 0.00 C ATOM 0 H THR A 83 -4.862 -5.790 -5.400 1.00 0.00 H new ATOM 0 HA THR A 83 -5.975 -7.379 -7.402 1.00 0.00 H new ATOM 0 HB THR A 83 -3.171 -7.118 -6.269 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.172 -5.752 -8.284 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.380 -7.987 -8.439 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.359 -9.216 -7.603 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.060 -8.283 -8.946 1.00 0.00 H new ATOM 1309 N MET A 84 -4.869 -9.148 -4.885 1.00 0.00 N ATOM 1310 CA MET A 84 -4.947 -10.462 -4.271 1.00 0.00 C ATOM 1311 C MET A 84 -6.376 -10.774 -3.821 1.00 0.00 C ATOM 1312 O MET A 84 -7.038 -11.636 -4.396 1.00 0.00 O ATOM 1313 CB MET A 84 -4.007 -10.520 -3.065 1.00 0.00 C ATOM 1314 CG MET A 84 -2.566 -10.781 -3.506 1.00 0.00 C ATOM 1315 SD MET A 84 -1.441 -9.800 -2.526 1.00 0.00 S ATOM 1316 CE MET A 84 0.081 -10.097 -3.412 1.00 0.00 C ATOM 0 H MET A 84 -4.350 -8.455 -4.345 1.00 0.00 H new ATOM 0 HA MET A 84 -4.649 -11.205 -5.010 1.00 0.00 H new ATOM 0 HB2 MET A 84 -4.058 -9.581 -2.514 1.00 0.00 H new ATOM 0 HB3 MET A 84 -4.331 -11.307 -2.384 1.00 0.00 H new ATOM 0 HG2 MET A 84 -2.329 -11.839 -3.396 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.450 -10.536 -4.562 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.894 -9.554 -2.930 1.00 0.00 H new ATOM 0 HE2 MET A 84 0.303 -11.164 -3.406 1.00 0.00 H new ATOM 0 HE3 MET A 84 -0.024 -9.754 -4.441 1.00 0.00 H new ATOM 1326 N TYR A 85 -6.809 -10.054 -2.796 1.00 0.00 N ATOM 1327 CA TYR A 85 -8.147 -10.242 -2.262 1.00 0.00 C ATOM 1328 C TYR A 85 -9.152 -10.513 -3.383 1.00 0.00 C ATOM 1329 O TYR A 85 -10.068 -11.318 -3.220 1.00 0.00 O ATOM 1330 CB TYR A 85 -8.514 -8.928 -1.571 1.00 0.00 C ATOM 1331 CG TYR A 85 -9.840 -8.974 -0.809 1.00 0.00 C ATOM 1332 CD1 TYR A 85 -10.005 -9.860 0.236 1.00 0.00 C ATOM 1333 CD2 TYR A 85 -10.872 -8.130 -1.167 1.00 0.00 C ATOM 1334 CE1 TYR A 85 -11.253 -9.904 0.953 1.00 0.00 C ATOM 1335 CE2 TYR A 85 -12.120 -8.174 -0.450 1.00 0.00 C ATOM 1336 CZ TYR A 85 -12.249 -9.059 0.575 1.00 0.00 C ATOM 1337 OH TYR A 85 -13.427 -9.100 1.252 1.00 0.00 O ATOM 0 H TYR A 85 -6.257 -9.340 -2.321 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.172 -11.093 -1.582 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.717 -8.660 -0.877 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.564 -8.137 -2.320 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.198 -10.521 0.516 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.743 -7.437 -1.985 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -11.395 -10.593 1.773 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -12.935 -7.519 -0.720 1.00 0.00 H new ATOM 0 HH TYR A 85 -14.045 -8.440 0.873 1.00 0.00 H new ATOM 1347 N SER A 86 -8.947 -9.826 -4.497 1.00 0.00 N ATOM 1348 CA SER A 86 -9.824 -9.982 -5.645 1.00 0.00 C ATOM 1349 C SER A 86 -9.467 -11.260 -6.406 1.00 0.00 C ATOM 1350 O SER A 86 -10.349 -12.034 -6.775 1.00 0.00 O ATOM 1351 CB SER A 86 -9.736 -8.769 -6.574 1.00 0.00 C ATOM 1352 OG SER A 86 -10.525 -7.679 -6.104 1.00 0.00 O ATOM 0 H SER A 86 -8.186 -9.160 -4.629 1.00 0.00 H new ATOM 0 HA SER A 86 -10.850 -10.056 -5.284 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.696 -8.453 -6.661 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.067 -9.052 -7.573 1.00 0.00 H new ATOM 0 HG SER A 86 -10.441 -6.924 -6.723 1.00 0.00 H new ATOM 1358 N ASP A 87 -8.172 -11.442 -6.619 1.00 0.00 N ATOM 1359 CA ASP A 87 -7.687 -12.613 -7.330 1.00 0.00 C ATOM 1360 C ASP A 87 -8.228 -13.874 -6.653 1.00 0.00 C ATOM 1361 O ASP A 87 -8.478 -14.880 -7.316 1.00 0.00 O ATOM 1362 CB ASP A 87 -6.159 -12.680 -7.303 1.00 0.00 C ATOM 1363 CG ASP A 87 -5.479 -12.488 -8.660 1.00 0.00 C ATOM 1364 OD1 ASP A 87 -5.408 -13.419 -9.476 1.00 0.00 O ATOM 1365 OD2 ASP A 87 -5.004 -11.307 -8.870 1.00 0.00 O ATOM 0 H ASP A 87 -7.443 -10.798 -6.312 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.026 -12.545 -8.364 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.789 -11.918 -6.617 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.860 -13.646 -6.897 1.00 0.00 H new ATOM 1370 N TYR A 88 -8.392 -13.780 -5.342 1.00 0.00 N ATOM 1371 CA TYR A 88 -8.898 -14.901 -4.569 1.00 0.00 C ATOM 1372 C TYR A 88 -9.967 -15.667 -5.350 1.00 0.00 C ATOM 1373 O TYR A 88 -10.098 -16.882 -5.203 1.00 0.00 O ATOM 1374 CB TYR A 88 -9.534 -14.296 -3.316 1.00 0.00 C ATOM 1375 CG TYR A 88 -9.331 -15.131 -2.050 1.00 0.00 C ATOM 1376 CD1 TYR A 88 -9.737 -16.450 -2.020 1.00 0.00 C ATOM 1377 CD2 TYR A 88 -8.742 -14.566 -0.937 1.00 0.00 C ATOM 1378 CE1 TYR A 88 -9.546 -17.236 -0.829 1.00 0.00 C ATOM 1379 CE2 TYR A 88 -8.551 -15.351 0.254 1.00 0.00 C ATOM 1380 CZ TYR A 88 -8.962 -16.648 0.250 1.00 0.00 C ATOM 1381 OH TYR A 88 -8.782 -17.390 1.375 1.00 0.00 O ATOM 0 H TYR A 88 -8.183 -12.945 -4.795 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.095 -15.599 -4.334 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.118 -13.302 -3.154 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.603 -14.170 -3.488 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.198 -16.893 -2.891 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.424 -13.534 -0.960 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -9.859 -18.269 -0.793 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -8.092 -14.920 1.131 1.00 0.00 H new ATOM 0 HH TYR A 88 -8.353 -16.841 2.064 1.00 0.00 H new ATOM 1391 N VAL A 89 -10.705 -14.926 -6.163 1.00 0.00 N ATOM 1392 CA VAL A 89 -11.759 -15.521 -6.967 1.00 0.00 C ATOM 1393 C VAL A 89 -11.155 -16.583 -7.888 1.00 0.00 C ATOM 1394 O VAL A 89 -10.250 -16.291 -8.668 1.00 0.00 O ATOM 1395 CB VAL A 89 -12.515 -14.430 -7.729 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -11.652 -13.844 -8.848 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -13.839 -14.963 -8.280 1.00 0.00 C ATOM 0 H VAL A 89 -10.594 -13.919 -6.282 1.00 0.00 H new ATOM 0 HA VAL A 89 -12.489 -16.020 -6.330 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.743 -13.628 -7.027 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -12.213 -13.071 -9.373 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.748 -13.409 -8.421 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.379 -14.633 -9.548 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -14.356 -14.168 -8.817 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.643 -15.792 -8.960 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.463 -15.310 -7.456 1.00 0.00 H new