USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 486 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD 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+ -133:sc= -0.576 (180deg=-1.12) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00511 USER MOD Single : A 28 SER OG : rot -67:sc= -0.321 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 30:sc= -1.12 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.86) 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 93:sc= 0.252 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N CYS A 16 6.706 -2.373 -8.096 1.00 0.00 N ATOM 245 CA CYS A 16 5.595 -3.298 -7.958 1.00 0.00 C ATOM 246 C CYS A 16 5.888 -4.230 -6.781 1.00 0.00 C ATOM 247 O CYS A 16 5.269 -4.114 -5.724 1.00 0.00 O ATOM 248 CB CYS A 16 5.343 -4.076 -9.252 1.00 0.00 C ATOM 249 SG CYS A 16 3.570 -4.509 -9.387 1.00 0.00 S ATOM 0 HA CYS A 16 4.679 -2.742 -7.760 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.646 -3.477 -10.111 1.00 0.00 H new ATOM 0 HB3 CYS A 16 5.949 -4.982 -9.265 1.00 0.00 H new ATOM 0 HG CYS A 16 3.367 -5.167 -10.490 1.00 0.00 H new ATOM 255 N VAL A 17 6.832 -5.133 -7.002 1.00 0.00 N ATOM 256 CA VAL A 17 7.214 -6.084 -5.972 1.00 0.00 C ATOM 257 C VAL A 17 8.740 -6.167 -5.903 1.00 0.00 C ATOM 258 O VAL A 17 9.358 -5.579 -5.017 1.00 0.00 O ATOM 259 CB VAL A 17 6.553 -7.437 -6.238 1.00 0.00 C ATOM 260 CG1 VAL A 17 7.110 -8.513 -5.303 1.00 0.00 C ATOM 261 CG2 VAL A 17 5.031 -7.338 -6.115 1.00 0.00 C ATOM 0 H VAL A 17 7.344 -5.226 -7.879 1.00 0.00 H new ATOM 0 HA VAL A 17 6.862 -5.752 -4.995 1.00 0.00 H new ATOM 0 HB VAL A 17 6.788 -7.729 -7.262 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.623 -9.465 -5.513 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.184 -8.612 -5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.920 -8.229 -4.268 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.586 -8.314 -6.309 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.768 -7.013 -5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.654 -6.617 -6.840 1.00 0.00 H new ATOM 271 N SER A 18 9.305 -6.903 -6.850 1.00 0.00 N ATOM 272 CA SER A 18 10.747 -7.071 -6.907 1.00 0.00 C ATOM 273 C SER A 18 11.242 -7.779 -5.645 1.00 0.00 C ATOM 274 O SER A 18 10.483 -7.963 -4.694 1.00 0.00 O ATOM 275 CB SER A 18 11.452 -5.723 -7.071 1.00 0.00 C ATOM 276 OG SER A 18 11.221 -5.151 -8.355 1.00 0.00 O ATOM 0 H SER A 18 8.790 -7.389 -7.584 1.00 0.00 H new ATOM 0 HA SER A 18 10.986 -7.684 -7.776 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.103 -5.036 -6.300 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.524 -5.854 -6.920 1.00 0.00 H new ATOM 0 HG SER A 18 11.687 -4.291 -8.419 1.00 0.00 H new ATOM 282 N GLU A 19 12.511 -8.158 -5.676 1.00 0.00 N ATOM 283 CA GLU A 19 13.116 -8.843 -4.547 1.00 0.00 C ATOM 284 C GLU A 19 12.902 -8.039 -3.263 1.00 0.00 C ATOM 285 O GLU A 19 12.930 -8.595 -2.166 1.00 0.00 O ATOM 286 CB GLU A 19 14.604 -9.097 -4.793 1.00 0.00 C ATOM 287 CG GLU A 19 14.810 -10.313 -5.699 1.00 0.00 C ATOM 288 CD GLU A 19 16.299 -10.570 -5.941 1.00 0.00 C ATOM 289 OE1 GLU A 19 17.110 -9.635 -5.869 1.00 0.00 O ATOM 290 OE2 GLU A 19 16.603 -11.794 -6.212 1.00 0.00 O ATOM 0 H GLU A 19 13.137 -8.003 -6.466 1.00 0.00 H new ATOM 0 HA GLU A 19 12.630 -9.812 -4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.056 -8.217 -5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.111 -9.258 -3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.355 -11.192 -5.243 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.306 -10.151 -6.652 1.00 0.00 H new ATOM 297 N LYS A 20 12.694 -6.742 -3.442 1.00 0.00 N ATOM 298 CA LYS A 20 12.475 -5.856 -2.311 1.00 0.00 C ATOM 299 C LYS A 20 11.236 -6.316 -1.540 1.00 0.00 C ATOM 300 O LYS A 20 11.327 -6.671 -0.366 1.00 0.00 O ATOM 301 CB LYS A 20 12.405 -4.401 -2.777 1.00 0.00 C ATOM 302 CG LYS A 20 13.753 -3.700 -2.589 1.00 0.00 C ATOM 303 CD LYS A 20 14.230 -3.071 -3.900 1.00 0.00 C ATOM 304 CE LYS A 20 15.079 -4.058 -4.704 1.00 0.00 C ATOM 305 NZ LYS A 20 14.345 -4.515 -5.904 1.00 0.00 N ATOM 0 H LYS A 20 12.673 -6.284 -4.353 1.00 0.00 H new ATOM 0 HA LYS A 20 13.316 -5.905 -1.620 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.116 -4.365 -3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.635 -3.872 -2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.663 -2.930 -1.823 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.494 -4.417 -2.234 1.00 0.00 H new ATOM 0 HD2 LYS A 20 13.370 -2.759 -4.492 1.00 0.00 H new ATOM 0 HD3 LYS A 20 14.812 -2.174 -3.687 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.014 -3.584 -5.001 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.339 -4.914 -4.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 14.416 -5.550 -5.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.345 -4.242 -5.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.757 -4.075 -6.751 1.00 0.00 H new ATOM 319 N LEU A 21 10.106 -6.293 -2.232 1.00 0.00 N ATOM 320 CA LEU A 21 8.850 -6.703 -1.628 1.00 0.00 C ATOM 321 C LEU A 21 8.915 -8.193 -1.287 1.00 0.00 C ATOM 322 O LEU A 21 8.510 -8.603 -0.200 1.00 0.00 O ATOM 323 CB LEU A 21 7.673 -6.330 -2.532 1.00 0.00 C ATOM 324 CG LEU A 21 7.148 -4.900 -2.393 1.00 0.00 C ATOM 325 CD1 LEU A 21 6.193 -4.779 -1.204 1.00 0.00 C ATOM 326 CD2 LEU A 21 8.301 -3.898 -2.306 1.00 0.00 C ATOM 0 H LEU A 21 10.034 -5.997 -3.205 1.00 0.00 H new ATOM 0 HA LEU A 21 8.685 -6.168 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.972 -6.487 -3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.853 -7.018 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 21 6.578 -4.658 -3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.835 -3.752 -1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.346 -5.449 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.717 -5.049 -0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.900 -2.889 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.919 -4.129 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.907 -3.961 -3.210 1.00 0.00 H new ATOM 338 N LEU A 22 9.428 -8.963 -2.236 1.00 0.00 N ATOM 339 CA LEU A 22 9.551 -10.398 -2.049 1.00 0.00 C ATOM 340 C LEU A 22 10.054 -10.683 -0.633 1.00 0.00 C ATOM 341 O LEU A 22 9.463 -11.483 0.091 1.00 0.00 O ATOM 342 CB LEU A 22 10.426 -11.008 -3.146 1.00 0.00 C ATOM 343 CG LEU A 22 9.784 -12.123 -3.974 1.00 0.00 C ATOM 344 CD1 LEU A 22 10.334 -12.132 -5.402 1.00 0.00 C ATOM 345 CD2 LEU A 22 9.950 -13.480 -3.288 1.00 0.00 C ATOM 0 H LEU A 22 9.763 -8.620 -3.136 1.00 0.00 H new ATOM 0 HA LEU A 22 8.577 -10.879 -2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.734 -10.211 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.332 -11.401 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 22 8.714 -11.925 -4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.861 -12.934 -5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.121 -11.176 -5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.412 -12.293 -5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.485 -14.255 -3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.011 -13.700 -3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.473 -13.453 -2.308 1.00 0.00 H new ATOM 357 N ARG A 23 11.141 -10.013 -0.279 1.00 0.00 N ATOM 358 CA ARG A 23 11.730 -10.184 1.038 1.00 0.00 C ATOM 359 C ARG A 23 10.826 -9.567 2.108 1.00 0.00 C ATOM 360 O ARG A 23 10.476 -10.227 3.086 1.00 0.00 O ATOM 361 CB ARG A 23 13.113 -9.533 1.112 1.00 0.00 C ATOM 362 CG ARG A 23 14.010 -10.263 2.114 1.00 0.00 C ATOM 363 CD ARG A 23 15.079 -11.087 1.393 1.00 0.00 C ATOM 364 NE ARG A 23 14.810 -12.532 1.571 1.00 0.00 N ATOM 365 CZ ARG A 23 14.969 -13.193 2.738 1.00 0.00 C ATOM 366 NH1 ARG A 23 15.398 -12.544 3.841 1.00 0.00 N ATOM 367 NH2 ARG A 23 14.699 -14.484 2.783 1.00 0.00 N ATOM 0 H ARG A 23 11.629 -9.351 -0.882 1.00 0.00 H new ATOM 0 HA ARG A 23 11.834 -11.254 1.218 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.578 -9.545 0.126 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.012 -8.488 1.404 1.00 0.00 H new ATOM 0 HG2 ARG A 23 14.488 -9.539 2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.404 -10.916 2.742 1.00 0.00 H new ATOM 0 HD2 ARG A 23 15.087 -10.838 0.332 1.00 0.00 H new ATOM 0 HD3 ARG A 23 16.066 -10.841 1.786 1.00 0.00 H new ATOM 0 HE ARG A 23 14.484 -13.061 0.762 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.605 -11.546 3.797 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.515 -13.051 4.718 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.376 -14.967 1.945 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.814 -14.999 3.656 1.00 0.00 H new ATOM 381 N LYS A 24 10.474 -8.309 1.887 1.00 0.00 N ATOM 382 CA LYS A 24 9.618 -7.596 2.819 1.00 0.00 C ATOM 383 C LYS A 24 8.498 -8.526 3.290 1.00 0.00 C ATOM 384 O LYS A 24 8.453 -8.907 4.459 1.00 0.00 O ATOM 385 CB LYS A 24 9.114 -6.293 2.196 1.00 0.00 C ATOM 386 CG LYS A 24 9.123 -5.156 3.219 1.00 0.00 C ATOM 387 CD LYS A 24 9.439 -3.817 2.549 1.00 0.00 C ATOM 388 CE LYS A 24 8.253 -2.857 2.656 1.00 0.00 C ATOM 389 NZ LYS A 24 8.253 -2.178 3.971 1.00 0.00 N ATOM 0 H LYS A 24 10.766 -7.765 1.075 1.00 0.00 H new ATOM 0 HA LYS A 24 10.182 -7.301 3.704 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.741 -6.026 1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.103 -6.436 1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.153 -5.099 3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.863 -5.363 3.992 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.316 -3.370 3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.686 -3.980 1.500 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.304 -2.117 1.858 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.320 -3.405 2.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.442 -1.530 4.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.182 -2.888 4.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.135 -1.639 4.083 1.00 0.00 H new ATOM 403 N THR A 25 7.622 -8.865 2.356 1.00 0.00 N ATOM 404 CA THR A 25 6.506 -9.744 2.660 1.00 0.00 C ATOM 405 C THR A 25 6.951 -10.867 3.598 1.00 0.00 C ATOM 406 O THR A 25 7.575 -11.833 3.163 1.00 0.00 O ATOM 407 CB THR A 25 5.928 -10.250 1.337 1.00 0.00 C ATOM 408 OG1 THR A 25 5.508 -9.065 0.666 1.00 0.00 O ATOM 409 CG2 THR A 25 4.636 -11.047 1.529 1.00 0.00 C ATOM 0 H THR A 25 7.663 -8.547 1.388 1.00 0.00 H new ATOM 0 HA THR A 25 5.718 -9.212 3.193 1.00 0.00 H new ATOM 0 HB THR A 25 6.667 -10.873 0.833 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.122 -9.301 -0.203 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.268 -11.383 0.559 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.833 -11.912 2.162 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.885 -10.414 2.003 1.00 0.00 H new ATOM 417 N ARG A 26 6.613 -10.703 4.868 1.00 0.00 N ATOM 418 CA ARG A 26 6.970 -11.692 5.872 1.00 0.00 C ATOM 419 C ARG A 26 6.381 -13.055 5.507 1.00 0.00 C ATOM 420 O ARG A 26 5.716 -13.194 4.481 1.00 0.00 O ATOM 421 CB ARG A 26 6.465 -11.279 7.256 1.00 0.00 C ATOM 422 CG ARG A 26 7.631 -10.939 8.186 1.00 0.00 C ATOM 423 CD ARG A 26 7.434 -11.572 9.565 1.00 0.00 C ATOM 424 NE ARG A 26 7.668 -10.564 10.623 1.00 0.00 N ATOM 425 CZ ARG A 26 8.865 -9.990 10.870 1.00 0.00 C ATOM 426 NH1 ARG A 26 9.948 -10.321 10.136 1.00 0.00 N ATOM 427 NH2 ARG A 26 8.960 -9.100 11.841 1.00 0.00 N ATOM 0 H ARG A 26 6.096 -9.900 5.226 1.00 0.00 H new ATOM 0 HA ARG A 26 8.058 -11.759 5.900 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.805 -10.416 7.164 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.875 -12.087 7.688 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.565 -11.293 7.749 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.717 -9.857 8.287 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.424 -11.972 9.650 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.120 -12.410 9.691 1.00 0.00 H new ATOM 0 HE ARG A 26 6.876 -10.285 11.202 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.866 -11.010 9.388 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.848 -9.883 10.329 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.137 -8.856 12.391 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.857 -8.657 12.041 1.00 0.00 H new ATOM 441 N GLU A 27 6.646 -14.028 6.366 1.00 0.00 N ATOM 442 CA GLU A 27 6.150 -15.376 6.147 1.00 0.00 C ATOM 443 C GLU A 27 4.676 -15.471 6.545 1.00 0.00 C ATOM 444 O GLU A 27 4.068 -14.473 6.929 1.00 0.00 O ATOM 445 CB GLU A 27 6.991 -16.401 6.911 1.00 0.00 C ATOM 446 CG GLU A 27 7.839 -17.239 5.951 1.00 0.00 C ATOM 447 CD GLU A 27 7.877 -18.704 6.390 1.00 0.00 C ATOM 448 OE1 GLU A 27 6.910 -19.197 6.990 1.00 0.00 O ATOM 449 OE2 GLU A 27 8.959 -19.336 6.085 1.00 0.00 O ATOM 0 H GLU A 27 7.198 -13.910 7.215 1.00 0.00 H new ATOM 0 HA GLU A 27 6.235 -15.605 5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.639 -15.888 7.621 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.338 -17.054 7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.431 -17.168 4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.853 -16.841 5.913 1.00 0.00 H new ATOM 456 N SER A 28 4.144 -16.680 6.441 1.00 0.00 N ATOM 457 CA SER A 28 2.753 -16.918 6.785 1.00 0.00 C ATOM 458 C SER A 28 1.846 -16.472 5.637 1.00 0.00 C ATOM 459 O SER A 28 2.322 -15.939 4.636 1.00 0.00 O ATOM 460 CB SER A 28 2.373 -16.190 8.076 1.00 0.00 C ATOM 461 OG SER A 28 1.553 -15.051 7.825 1.00 0.00 O ATOM 0 H SER A 28 4.652 -17.506 6.123 1.00 0.00 H new ATOM 0 HA SER A 28 2.619 -17.987 6.950 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.846 -16.877 8.738 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.279 -15.877 8.596 1.00 0.00 H new ATOM 0 HG SER A 28 2.072 -14.374 7.342 1.00 0.00 H new ATOM 467 N PRO A 29 0.520 -16.711 5.825 1.00 0.00 N ATOM 468 CA PRO A 29 -0.458 -16.340 4.817 1.00 0.00 C ATOM 469 C PRO A 29 -0.696 -14.829 4.815 1.00 0.00 C ATOM 470 O PRO A 29 0.001 -14.086 5.504 1.00 0.00 O ATOM 471 CB PRO A 29 -1.704 -17.137 5.166 1.00 0.00 C ATOM 472 CG PRO A 29 -1.533 -17.567 6.614 1.00 0.00 C ATOM 473 CD PRO A 29 -0.080 -17.340 6.998 1.00 0.00 C ATOM 0 HA PRO A 29 -0.126 -16.568 3.804 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.602 -16.532 5.042 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.810 -18.002 4.512 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.194 -16.993 7.263 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.800 -18.617 6.735 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.002 -16.699 7.876 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.417 -18.279 7.241 1.00 0.00 H new ATOM 481 N LEU A 30 -1.684 -14.419 4.032 1.00 0.00 N ATOM 482 CA LEU A 30 -2.023 -13.009 3.931 1.00 0.00 C ATOM 483 C LEU A 30 -3.239 -12.718 4.811 1.00 0.00 C ATOM 484 O LEU A 30 -3.490 -11.567 5.168 1.00 0.00 O ATOM 485 CB LEU A 30 -2.212 -12.608 2.467 1.00 0.00 C ATOM 486 CG LEU A 30 -3.652 -12.328 2.029 1.00 0.00 C ATOM 487 CD1 LEU A 30 -4.563 -13.514 2.351 1.00 0.00 C ATOM 488 CD2 LEU A 30 -4.168 -11.025 2.644 1.00 0.00 C ATOM 0 H LEU A 30 -2.260 -15.038 3.462 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.205 -12.392 4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.615 -11.717 2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.810 -13.402 1.838 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.662 -12.199 0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.580 -13.289 2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.205 -14.401 1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.554 -13.698 3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.193 -10.849 2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.142 -11.100 3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.537 -10.196 2.322 1.00 0.00 H new ATOM 500 N VAL A 31 -3.963 -13.779 5.137 1.00 0.00 N ATOM 501 CA VAL A 31 -5.147 -13.651 5.969 1.00 0.00 C ATOM 502 C VAL A 31 -4.826 -12.762 7.172 1.00 0.00 C ATOM 503 O VAL A 31 -5.563 -11.823 7.468 1.00 0.00 O ATOM 504 CB VAL A 31 -5.657 -15.037 6.369 1.00 0.00 C ATOM 505 CG1 VAL A 31 -6.104 -15.055 7.832 1.00 0.00 C ATOM 506 CG2 VAL A 31 -6.788 -15.492 5.444 1.00 0.00 C ATOM 0 H VAL A 31 -3.752 -14.732 4.840 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.953 -13.170 5.415 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.833 -15.742 6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.462 -16.051 8.091 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.262 -14.794 8.473 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.907 -14.332 7.976 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.133 -16.480 5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.615 -14.784 5.505 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.423 -15.536 4.418 1.00 0.00 H new ATOM 516 N PRO A 32 -3.696 -13.098 7.850 1.00 0.00 N ATOM 517 CA PRO A 32 -3.269 -12.341 9.014 1.00 0.00 C ATOM 518 C PRO A 32 -2.663 -10.997 8.602 1.00 0.00 C ATOM 519 O PRO A 32 -3.265 -9.948 8.823 1.00 0.00 O ATOM 520 CB PRO A 32 -2.278 -13.245 9.729 1.00 0.00 C ATOM 521 CG PRO A 32 -1.836 -14.275 8.702 1.00 0.00 C ATOM 522 CD PRO A 32 -2.799 -14.204 7.528 1.00 0.00 C ATOM 0 HA PRO A 32 -4.097 -12.080 9.673 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.427 -12.674 10.101 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.740 -13.726 10.591 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.817 -14.073 8.373 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -1.838 -15.274 9.138 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.270 -14.025 6.592 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.349 -15.138 7.410 1.00 0.00 H new ATOM 530 N ILE A 33 -1.480 -11.074 8.012 1.00 0.00 N ATOM 531 CA ILE A 33 -0.786 -9.878 7.567 1.00 0.00 C ATOM 532 C ILE A 33 -1.797 -8.902 6.962 1.00 0.00 C ATOM 533 O ILE A 33 -1.682 -7.691 7.143 1.00 0.00 O ATOM 534 CB ILE A 33 0.359 -10.242 6.620 1.00 0.00 C ATOM 535 CG1 ILE A 33 1.413 -11.090 7.334 1.00 0.00 C ATOM 536 CG2 ILE A 33 0.965 -8.990 5.984 1.00 0.00 C ATOM 537 CD1 ILE A 33 2.217 -11.923 6.334 1.00 0.00 C ATOM 0 H ILE A 33 -0.984 -11.947 7.832 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.320 -9.372 8.413 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.048 -10.848 5.811 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.085 -10.443 7.897 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.928 -11.749 8.054 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.777 -9.278 5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.198 -8.462 5.417 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.353 -8.336 6.765 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.959 -12.516 6.868 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.545 -12.587 5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.721 -11.260 5.630 1.00 0.00 H new ATOM 549 N GLY A 34 -2.766 -9.466 6.256 1.00 0.00 N ATOM 550 CA GLY A 34 -3.797 -8.661 5.624 1.00 0.00 C ATOM 551 C GLY A 34 -4.722 -8.034 6.669 1.00 0.00 C ATOM 552 O GLY A 34 -4.956 -6.827 6.651 1.00 0.00 O ATOM 0 H GLY A 34 -2.859 -10.471 6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.334 -7.876 5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.380 -9.280 4.942 1.00 0.00 H new ATOM 556 N LEU A 35 -5.222 -8.882 7.556 1.00 0.00 N ATOM 557 CA LEU A 35 -6.115 -8.426 8.607 1.00 0.00 C ATOM 558 C LEU A 35 -5.499 -7.210 9.301 1.00 0.00 C ATOM 559 O LEU A 35 -6.156 -6.182 9.459 1.00 0.00 O ATOM 560 CB LEU A 35 -6.450 -9.574 9.561 1.00 0.00 C ATOM 561 CG LEU A 35 -7.938 -9.807 9.833 1.00 0.00 C ATOM 562 CD1 LEU A 35 -8.541 -10.764 8.802 1.00 0.00 C ATOM 563 CD2 LEU A 35 -8.163 -10.293 11.266 1.00 0.00 C ATOM 0 H LEU A 35 -5.025 -9.883 7.568 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.067 -8.105 8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.027 -10.493 9.155 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.952 -9.387 10.512 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.457 -8.854 9.730 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.599 -10.912 9.018 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.431 -10.340 7.804 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.023 -11.722 8.848 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.228 -10.451 11.434 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.628 -11.230 11.420 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.793 -9.544 11.966 1.00 0.00 H new ATOM 575 N GLY A 36 -4.245 -7.367 9.698 1.00 0.00 N ATOM 576 CA GLY A 36 -3.533 -6.294 10.372 1.00 0.00 C ATOM 577 C GLY A 36 -3.468 -5.043 9.493 1.00 0.00 C ATOM 578 O GLY A 36 -4.038 -4.009 9.836 1.00 0.00 O ATOM 0 H GLY A 36 -3.703 -8.221 9.566 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.031 -6.057 11.312 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.523 -6.622 10.620 1.00 0.00 H new ATOM 582 N GLY A 37 -2.767 -5.179 8.377 1.00 0.00 N ATOM 583 CA GLY A 37 -2.620 -4.072 7.447 1.00 0.00 C ATOM 584 C GLY A 37 -3.981 -3.478 7.081 1.00 0.00 C ATOM 585 O GLY A 37 -4.062 -2.343 6.613 1.00 0.00 O ATOM 0 H GLY A 37 -2.295 -6.038 8.096 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.990 -3.301 7.891 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.115 -4.416 6.544 1.00 0.00 H new ATOM 589 N CYS A 38 -5.017 -4.272 7.307 1.00 0.00 N ATOM 590 CA CYS A 38 -6.372 -3.839 7.007 1.00 0.00 C ATOM 591 C CYS A 38 -6.794 -2.816 8.064 1.00 0.00 C ATOM 592 O CYS A 38 -6.998 -1.644 7.751 1.00 0.00 O ATOM 593 CB CYS A 38 -7.341 -5.021 6.938 1.00 0.00 C ATOM 594 SG CYS A 38 -8.909 -4.499 6.152 1.00 0.00 S ATOM 0 H CYS A 38 -4.946 -5.213 7.694 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.399 -3.374 6.021 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.893 -5.836 6.370 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.536 -5.401 7.941 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.724 -5.510 6.096 1.00 0.00 H new ATOM 600 N LEU A 39 -6.912 -3.296 9.293 1.00 0.00 N ATOM 601 CA LEU A 39 -7.306 -2.438 10.397 1.00 0.00 C ATOM 602 C LEU A 39 -6.388 -1.216 10.440 1.00 0.00 C ATOM 603 O LEU A 39 -6.762 -0.172 10.972 1.00 0.00 O ATOM 604 CB LEU A 39 -7.339 -3.230 11.706 1.00 0.00 C ATOM 605 CG LEU A 39 -8.448 -2.853 12.690 1.00 0.00 C ATOM 606 CD1 LEU A 39 -9.193 -4.097 13.178 1.00 0.00 C ATOM 607 CD2 LEU A 39 -7.894 -2.024 13.850 1.00 0.00 C ATOM 0 H LEU A 39 -6.742 -4.269 9.549 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.321 -2.069 10.250 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.439 -4.288 11.465 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.379 -3.106 12.207 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.172 -2.229 12.166 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.976 -3.802 13.876 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.640 -4.610 12.327 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.494 -4.767 13.679 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.703 -1.770 14.534 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.138 -2.602 14.381 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.446 -1.109 13.462 1.00 0.00 H new ATOM 619 N VAL A 40 -5.202 -1.386 9.873 1.00 0.00 N ATOM 620 CA VAL A 40 -4.227 -0.309 9.840 1.00 0.00 C ATOM 621 C VAL A 40 -4.669 0.743 8.821 1.00 0.00 C ATOM 622 O VAL A 40 -5.068 1.845 9.194 1.00 0.00 O ATOM 623 CB VAL A 40 -2.834 -0.873 9.551 1.00 0.00 C ATOM 624 CG1 VAL A 40 -1.886 0.227 9.071 1.00 0.00 C ATOM 625 CG2 VAL A 40 -2.267 -1.589 10.779 1.00 0.00 C ATOM 0 H VAL A 40 -4.895 -2.253 9.433 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.169 0.183 10.811 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.929 -1.606 8.750 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.903 -0.201 8.873 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.279 0.673 8.157 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.799 0.994 9.841 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.277 -1.980 10.547 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.194 -0.886 11.609 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.926 -2.411 11.057 1.00 0.00 H new ATOM 635 N VAL A 41 -4.583 0.365 7.553 1.00 0.00 N ATOM 636 CA VAL A 41 -4.970 1.262 6.478 1.00 0.00 C ATOM 637 C VAL A 41 -6.362 1.827 6.765 1.00 0.00 C ATOM 638 O VAL A 41 -6.553 3.042 6.776 1.00 0.00 O ATOM 639 CB VAL A 41 -4.885 0.535 5.134 1.00 0.00 C ATOM 640 CG1 VAL A 41 -5.914 -0.594 5.057 1.00 0.00 C ATOM 641 CG2 VAL A 41 -5.055 1.513 3.970 1.00 0.00 C ATOM 0 H VAL A 41 -4.251 -0.550 7.247 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.283 2.106 6.420 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.893 0.090 5.055 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.833 -1.095 4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.727 -1.312 5.855 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.916 -0.181 5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.990 0.971 3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.028 2.000 4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.268 2.266 4.010 1.00 0.00 H new ATOM 651 N ALA A 42 -7.299 0.918 6.991 1.00 0.00 N ATOM 652 CA ALA A 42 -8.669 1.310 7.278 1.00 0.00 C ATOM 653 C ALA A 42 -8.672 2.355 8.395 1.00 0.00 C ATOM 654 O ALA A 42 -9.162 3.467 8.208 1.00 0.00 O ATOM 655 CB ALA A 42 -9.490 0.070 7.636 1.00 0.00 C ATOM 0 H ALA A 42 -7.137 -0.089 6.981 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.131 1.764 6.401 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.517 0.364 7.851 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.480 -0.627 6.798 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.059 -0.411 8.514 1.00 0.00 H new ATOM 661 N ALA A 43 -8.119 1.960 9.533 1.00 0.00 N ATOM 662 CA ALA A 43 -8.052 2.848 10.681 1.00 0.00 C ATOM 663 C ALA A 43 -7.695 4.259 10.208 1.00 0.00 C ATOM 664 O ALA A 43 -8.344 5.230 10.594 1.00 0.00 O ATOM 665 CB ALA A 43 -7.044 2.300 11.693 1.00 0.00 C ATOM 0 H ALA A 43 -7.713 1.036 9.684 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.019 2.902 11.181 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.994 2.966 12.554 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.358 1.309 12.019 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.061 2.234 11.228 1.00 0.00 H new ATOM 671 N TYR A 44 -6.664 4.327 9.379 1.00 0.00 N ATOM 672 CA TYR A 44 -6.213 5.603 8.849 1.00 0.00 C ATOM 673 C TYR A 44 -7.293 6.249 7.980 1.00 0.00 C ATOM 674 O TYR A 44 -7.586 7.434 8.126 1.00 0.00 O ATOM 675 CB TYR A 44 -4.994 5.291 7.979 1.00 0.00 C ATOM 676 CG TYR A 44 -3.921 6.382 7.996 1.00 0.00 C ATOM 677 CD1 TYR A 44 -3.093 6.518 9.092 1.00 0.00 C ATOM 678 CD2 TYR A 44 -3.782 7.230 6.916 1.00 0.00 C ATOM 679 CE1 TYR A 44 -2.083 7.545 9.108 1.00 0.00 C ATOM 680 CE2 TYR A 44 -2.773 8.257 6.932 1.00 0.00 C ATOM 681 CZ TYR A 44 -1.973 8.364 8.027 1.00 0.00 C ATOM 682 OH TYR A 44 -1.020 9.334 8.042 1.00 0.00 O ATOM 0 H TYR A 44 -6.128 3.520 9.061 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.983 6.295 9.659 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.550 4.354 8.316 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.324 5.136 6.952 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.202 5.855 9.937 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.430 7.123 6.059 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.428 7.662 9.959 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.654 8.927 6.094 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.259 9.037 8.583 1.00 0.00 H new ATOM 692 N ARG A 45 -7.856 5.440 7.094 1.00 0.00 N ATOM 693 CA ARG A 45 -8.898 5.918 6.200 1.00 0.00 C ATOM 694 C ARG A 45 -9.938 6.724 6.981 1.00 0.00 C ATOM 695 O ARG A 45 -10.257 7.854 6.613 1.00 0.00 O ATOM 696 CB ARG A 45 -9.592 4.753 5.491 1.00 0.00 C ATOM 697 CG ARG A 45 -9.492 4.898 3.972 1.00 0.00 C ATOM 698 CD ARG A 45 -10.007 3.642 3.266 1.00 0.00 C ATOM 699 NE ARG A 45 -10.743 4.018 2.038 1.00 0.00 N ATOM 700 CZ ARG A 45 -10.149 4.381 0.881 1.00 0.00 C ATOM 701 NH1 ARG A 45 -8.803 4.421 0.785 1.00 0.00 N ATOM 702 NH2 ARG A 45 -10.904 4.697 -0.154 1.00 0.00 N ATOM 0 H ARG A 45 -7.611 4.457 6.976 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.427 6.555 5.451 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.138 3.812 5.801 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.640 4.714 5.788 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.068 5.764 3.647 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.456 5.080 3.688 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.172 2.988 3.014 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.660 3.081 3.934 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.762 4.002 2.068 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.227 4.176 1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.362 4.696 -0.093 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.920 4.665 -0.073 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.471 4.973 -1.035 1.00 0.00 H new ATOM 716 N ILE A 46 -10.439 6.112 8.044 1.00 0.00 N ATOM 717 CA ILE A 46 -11.436 6.758 8.880 1.00 0.00 C ATOM 718 C ILE A 46 -10.796 7.944 9.605 1.00 0.00 C ATOM 719 O ILE A 46 -11.443 8.968 9.817 1.00 0.00 O ATOM 720 CB ILE A 46 -12.089 5.742 9.819 1.00 0.00 C ATOM 721 CG1 ILE A 46 -13.375 6.304 10.427 1.00 0.00 C ATOM 722 CG2 ILE A 46 -11.103 5.276 10.892 1.00 0.00 C ATOM 723 CD1 ILE A 46 -13.068 7.443 11.401 1.00 0.00 C ATOM 0 H ILE A 46 -10.173 5.175 8.346 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.245 7.157 8.268 1.00 0.00 H new ATOM 0 HB ILE A 46 -12.367 4.865 9.234 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -14.029 6.665 9.633 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.913 5.511 10.947 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.592 4.554 11.547 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.241 4.808 10.416 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.773 6.133 11.479 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -13.999 7.825 11.819 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -12.434 7.072 12.206 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.552 8.245 10.872 1.00 0.00 H new ATOM 735 N TYR A 47 -9.534 7.765 9.966 1.00 0.00 N ATOM 736 CA TYR A 47 -8.800 8.807 10.663 1.00 0.00 C ATOM 737 C TYR A 47 -8.766 10.097 9.842 1.00 0.00 C ATOM 738 O TYR A 47 -8.942 11.187 10.384 1.00 0.00 O ATOM 739 CB TYR A 47 -7.372 8.281 10.824 1.00 0.00 C ATOM 740 CG TYR A 47 -6.634 8.847 12.039 1.00 0.00 C ATOM 741 CD1 TYR A 47 -7.162 8.686 13.303 1.00 0.00 C ATOM 742 CD2 TYR A 47 -5.440 9.517 11.870 1.00 0.00 C ATOM 743 CE1 TYR A 47 -6.468 9.218 14.447 1.00 0.00 C ATOM 744 CE2 TYR A 47 -4.745 10.050 13.013 1.00 0.00 C ATOM 745 CZ TYR A 47 -5.293 9.874 14.246 1.00 0.00 C ATOM 746 OH TYR A 47 -4.637 10.376 15.326 1.00 0.00 O ATOM 0 H TYR A 47 -9.001 6.914 9.789 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.272 9.035 11.619 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.403 7.194 10.904 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.805 8.518 9.924 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.096 8.161 13.435 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -5.026 9.642 10.880 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.871 9.099 15.442 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.810 10.577 12.894 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.813 10.817 15.032 1.00 0.00 H new ATOM 756 N ARG A 48 -8.540 9.931 8.547 1.00 0.00 N ATOM 757 CA ARG A 48 -8.482 11.069 7.645 1.00 0.00 C ATOM 758 C ARG A 48 -9.892 11.573 7.334 1.00 0.00 C ATOM 759 O ARG A 48 -10.174 12.763 7.469 1.00 0.00 O ATOM 760 CB ARG A 48 -7.779 10.700 6.337 1.00 0.00 C ATOM 761 CG ARG A 48 -7.029 11.902 5.760 1.00 0.00 C ATOM 762 CD ARG A 48 -6.352 11.541 4.436 1.00 0.00 C ATOM 763 NE ARG A 48 -7.022 12.242 3.318 1.00 0.00 N ATOM 764 CZ ARG A 48 -6.559 12.260 2.050 1.00 0.00 C ATOM 765 NH1 ARG A 48 -5.417 11.615 1.728 1.00 0.00 N ATOM 766 NH2 ARG A 48 -7.238 12.919 1.129 1.00 0.00 N ATOM 0 H ARG A 48 -8.395 9.025 8.101 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.913 11.856 8.140 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.081 9.882 6.513 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.512 10.343 5.614 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.723 12.728 5.604 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.280 12.245 6.474 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.298 11.817 4.470 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.394 10.463 4.278 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.888 12.743 3.518 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.897 11.109 2.445 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.074 11.634 0.768 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.099 13.405 1.380 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.902 12.942 0.166 1.00 0.00 H new ATOM 780 N LEU A 49 -10.742 10.642 6.924 1.00 0.00 N ATOM 781 CA LEU A 49 -12.116 10.977 6.593 1.00 0.00 C ATOM 782 C LEU A 49 -12.658 11.968 7.625 1.00 0.00 C ATOM 783 O LEU A 49 -13.221 13.001 7.264 1.00 0.00 O ATOM 784 CB LEU A 49 -12.959 9.708 6.457 1.00 0.00 C ATOM 785 CG LEU A 49 -14.067 9.748 5.402 1.00 0.00 C ATOM 786 CD1 LEU A 49 -14.004 8.518 4.495 1.00 0.00 C ATOM 787 CD2 LEU A 49 -15.441 9.908 6.056 1.00 0.00 C ATOM 0 H LEU A 49 -10.505 9.656 6.814 1.00 0.00 H new ATOM 0 HA LEU A 49 -12.164 11.470 5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.293 8.877 6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -13.413 9.492 7.424 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.907 10.622 4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -14.802 8.571 3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.040 8.489 3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -14.126 7.617 5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -16.210 9.934 5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.626 9.067 6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.467 10.837 6.625 1.00 0.00 H new ATOM 799 N ARG A 50 -12.469 11.619 8.889 1.00 0.00 N ATOM 800 CA ARG A 50 -12.932 12.465 9.976 1.00 0.00 C ATOM 801 C ARG A 50 -12.049 13.709 10.094 1.00 0.00 C ATOM 802 O ARG A 50 -10.953 13.752 9.537 1.00 0.00 O ATOM 803 CB ARG A 50 -12.917 11.710 11.307 1.00 0.00 C ATOM 804 CG ARG A 50 -14.145 12.060 12.150 1.00 0.00 C ATOM 805 CD ARG A 50 -14.581 10.868 13.004 1.00 0.00 C ATOM 806 NE ARG A 50 -15.042 11.337 14.330 1.00 0.00 N ATOM 807 CZ ARG A 50 -14.225 11.552 15.383 1.00 0.00 C ATOM 808 NH1 ARG A 50 -12.896 11.341 15.273 1.00 0.00 N ATOM 809 NH2 ARG A 50 -14.745 11.972 16.521 1.00 0.00 N ATOM 0 H ARG A 50 -12.002 10.762 9.185 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.956 12.762 9.751 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.894 10.636 11.120 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -12.010 11.957 11.859 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.918 12.910 12.794 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.964 12.364 11.498 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.382 10.325 12.503 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.750 10.173 13.124 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.040 11.509 14.456 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -12.502 11.017 14.390 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.285 11.506 16.073 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.750 12.129 16.595 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.142 12.139 17.326 1.00 0.00 H new ATOM 1045 N ARG A 65 5.891 12.718 7.167 1.00 0.00 N ATOM 1046 CA ARG A 65 6.573 11.492 6.788 1.00 0.00 C ATOM 1047 C ARG A 65 5.676 10.281 7.051 1.00 0.00 C ATOM 1048 O ARG A 65 5.612 9.363 6.236 1.00 0.00 O ATOM 1049 CB ARG A 65 7.881 11.328 7.565 1.00 0.00 C ATOM 1050 CG ARG A 65 7.689 11.677 9.042 1.00 0.00 C ATOM 1051 CD ARG A 65 9.037 11.796 9.756 1.00 0.00 C ATOM 1052 NE ARG A 65 9.480 10.465 10.226 1.00 0.00 N ATOM 1053 CZ ARG A 65 10.660 10.232 10.839 1.00 0.00 C ATOM 1054 NH1 ARG A 65 11.527 11.243 11.062 1.00 0.00 N ATOM 1055 NH2 ARG A 65 10.954 9.002 11.217 1.00 0.00 N ATOM 0 HA ARG A 65 6.800 11.554 5.724 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.236 10.302 7.473 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.648 11.971 7.133 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.143 12.616 9.130 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.084 10.910 9.525 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.780 12.218 9.079 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.951 12.479 10.601 1.00 0.00 H new ATOM 0 HE ARG A 65 8.854 9.673 10.077 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.292 12.191 10.767 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.417 11.059 11.526 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.294 8.244 11.045 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.842 8.810 11.681 1.00 0.00 H new ATOM 1069 N VAL A 66 5.006 10.319 8.193 1.00 0.00 N ATOM 1070 CA VAL A 66 4.115 9.236 8.574 1.00 0.00 C ATOM 1071 C VAL A 66 3.009 9.098 7.526 1.00 0.00 C ATOM 1072 O VAL A 66 2.775 8.008 7.006 1.00 0.00 O ATOM 1073 CB VAL A 66 3.574 9.476 9.985 1.00 0.00 C ATOM 1074 CG1 VAL A 66 4.712 9.546 11.005 1.00 0.00 C ATOM 1075 CG2 VAL A 66 2.714 10.741 10.035 1.00 0.00 C ATOM 0 H VAL A 66 5.062 11.083 8.867 1.00 0.00 H new ATOM 0 HA VAL A 66 4.655 8.290 8.603 1.00 0.00 H new ATOM 0 HB VAL A 66 2.940 8.629 10.249 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.299 9.717 11.999 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.265 8.607 10.998 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.384 10.364 10.745 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.342 10.888 11.049 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.315 11.601 9.740 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.872 10.636 9.351 1.00 0.00 H new ATOM 1085 N ALA A 67 2.360 10.218 7.246 1.00 0.00 N ATOM 1086 CA ALA A 67 1.285 10.236 6.268 1.00 0.00 C ATOM 1087 C ALA A 67 1.858 9.938 4.881 1.00 0.00 C ATOM 1088 O ALA A 67 1.348 9.076 4.167 1.00 0.00 O ATOM 1089 CB ALA A 67 0.565 11.585 6.325 1.00 0.00 C ATOM 0 H ALA A 67 2.558 11.120 7.679 1.00 0.00 H new ATOM 0 HA ALA A 67 0.549 9.464 6.493 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.241 11.598 5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.151 11.735 7.322 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.272 12.384 6.102 1.00 0.00 H new ATOM 1095 N ALA A 68 2.910 10.668 4.542 1.00 0.00 N ATOM 1096 CA ALA A 68 3.558 10.493 3.253 1.00 0.00 C ATOM 1097 C ALA A 68 3.768 9.001 2.991 1.00 0.00 C ATOM 1098 O ALA A 68 3.374 8.489 1.944 1.00 0.00 O ATOM 1099 CB ALA A 68 4.869 11.280 3.229 1.00 0.00 C ATOM 0 H ALA A 68 3.330 11.382 5.137 1.00 0.00 H new ATOM 0 HA ALA A 68 2.930 10.883 2.452 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.355 11.148 2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.661 12.338 3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.527 10.915 4.018 1.00 0.00 H new ATOM 1105 N GLN A 69 4.389 8.344 3.960 1.00 0.00 N ATOM 1106 CA GLN A 69 4.657 6.921 3.848 1.00 0.00 C ATOM 1107 C GLN A 69 3.345 6.141 3.738 1.00 0.00 C ATOM 1108 O GLN A 69 3.064 5.535 2.705 1.00 0.00 O ATOM 1109 CB GLN A 69 5.492 6.425 5.030 1.00 0.00 C ATOM 1110 CG GLN A 69 6.895 6.014 4.576 1.00 0.00 C ATOM 1111 CD GLN A 69 7.773 5.648 5.774 1.00 0.00 C ATOM 1112 OE1 GLN A 69 7.318 5.544 6.901 1.00 0.00 O ATOM 1113 NE2 GLN A 69 9.054 5.458 5.468 1.00 0.00 N ATOM 0 H GLN A 69 4.714 8.772 4.827 1.00 0.00 H new ATOM 0 HA GLN A 69 5.236 6.751 2.940 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.565 7.210 5.783 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.995 5.577 5.500 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.827 5.164 3.897 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.355 6.831 4.019 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.369 5.561 4.503 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.721 5.209 6.198 1.00 0.00 H new ATOM 1122 N ALA A 70 2.578 6.181 4.817 1.00 0.00 N ATOM 1123 CA ALA A 70 1.303 5.486 4.855 1.00 0.00 C ATOM 1124 C ALA A 70 0.598 5.647 3.506 1.00 0.00 C ATOM 1125 O ALA A 70 -0.156 4.770 3.087 1.00 0.00 O ATOM 1126 CB ALA A 70 0.464 6.020 6.018 1.00 0.00 C ATOM 0 H ALA A 70 2.815 6.684 5.672 1.00 0.00 H new ATOM 0 HA ALA A 70 1.453 4.420 5.024 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.493 5.498 6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.995 5.855 6.956 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.291 7.088 5.882 1.00 0.00 H new ATOM 1132 N CYS A 71 0.869 6.774 2.864 1.00 0.00 N ATOM 1133 CA CYS A 71 0.271 7.061 1.572 1.00 0.00 C ATOM 1134 C CYS A 71 0.887 6.117 0.537 1.00 0.00 C ATOM 1135 O CYS A 71 0.184 5.309 -0.068 1.00 0.00 O ATOM 1136 CB CYS A 71 0.447 8.530 1.181 1.00 0.00 C ATOM 1137 SG CYS A 71 -1.150 9.223 0.618 1.00 0.00 S ATOM 0 H CYS A 71 1.495 7.499 3.215 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.805 6.893 1.621 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.820 9.099 2.032 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.190 8.617 0.389 1.00 0.00 H new ATOM 0 HG CYS A 71 -0.990 10.471 0.291 1.00 0.00 H new ATOM 1143 N ALA A 72 2.194 6.251 0.365 1.00 0.00 N ATOM 1144 CA ALA A 72 2.913 5.420 -0.586 1.00 0.00 C ATOM 1145 C ALA A 72 2.651 3.947 -0.269 1.00 0.00 C ATOM 1146 O ALA A 72 2.054 3.232 -1.073 1.00 0.00 O ATOM 1147 CB ALA A 72 4.402 5.770 -0.547 1.00 0.00 C ATOM 0 H ALA A 72 2.774 6.923 0.868 1.00 0.00 H new ATOM 0 HA ALA A 72 2.562 5.606 -1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.941 5.147 -1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.536 6.820 -0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.791 5.593 0.456 1.00 0.00 H new ATOM 1153 N VAL A 73 3.111 3.536 0.904 1.00 0.00 N ATOM 1154 CA VAL A 73 2.934 2.160 1.337 1.00 0.00 C ATOM 1155 C VAL A 73 1.454 1.786 1.238 1.00 0.00 C ATOM 1156 O VAL A 73 1.118 0.637 0.952 1.00 0.00 O ATOM 1157 CB VAL A 73 3.504 1.978 2.744 1.00 0.00 C ATOM 1158 CG1 VAL A 73 4.963 2.434 2.808 1.00 0.00 C ATOM 1159 CG2 VAL A 73 2.653 2.714 3.781 1.00 0.00 C ATOM 0 H VAL A 73 3.606 4.132 1.568 1.00 0.00 H new ATOM 0 HA VAL A 73 3.485 1.480 0.687 1.00 0.00 H new ATOM 0 HB VAL A 73 3.475 0.915 2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.344 2.294 3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.559 1.845 2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.027 3.488 2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.081 2.568 4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.634 3.778 3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.637 2.321 3.763 1.00 0.00 H new ATOM 1169 N GLY A 74 0.608 2.776 1.481 1.00 0.00 N ATOM 1170 CA GLY A 74 -0.828 2.565 1.423 1.00 0.00 C ATOM 1171 C GLY A 74 -1.283 2.276 -0.009 1.00 0.00 C ATOM 1172 O GLY A 74 -2.239 1.532 -0.223 1.00 0.00 O ATOM 0 H GLY A 74 0.890 3.727 1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.103 1.733 2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.344 3.447 1.801 1.00 0.00 H new ATOM 1176 N ALA A 75 -0.575 2.878 -0.954 1.00 0.00 N ATOM 1177 CA ALA A 75 -0.894 2.695 -2.360 1.00 0.00 C ATOM 1178 C ALA A 75 -0.456 1.296 -2.799 1.00 0.00 C ATOM 1179 O ALA A 75 -1.263 0.521 -3.309 1.00 0.00 O ATOM 1180 CB ALA A 75 -0.228 3.799 -3.182 1.00 0.00 C ATOM 0 H ALA A 75 0.218 3.493 -0.773 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.969 2.771 -2.523 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.467 3.662 -4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.594 4.771 -2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.852 3.752 -3.046 1.00 0.00 H new ATOM 1186 N ILE A 76 0.821 1.016 -2.584 1.00 0.00 N ATOM 1187 CA ILE A 76 1.376 -0.276 -2.952 1.00 0.00 C ATOM 1188 C ILE A 76 0.627 -1.380 -2.202 1.00 0.00 C ATOM 1189 O ILE A 76 0.417 -2.467 -2.739 1.00 0.00 O ATOM 1190 CB ILE A 76 2.888 -0.295 -2.723 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.494 -1.627 -3.169 1.00 0.00 C ATOM 1192 CG2 ILE A 76 3.226 0.030 -1.266 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.438 -1.430 -4.357 1.00 0.00 C ATOM 0 H ILE A 76 1.487 1.661 -2.160 1.00 0.00 H new ATOM 0 HA ILE A 76 1.236 -0.461 -4.017 1.00 0.00 H new ATOM 0 HB ILE A 76 3.336 0.484 -3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.037 -2.079 -2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.698 -2.319 -3.444 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.307 0.010 -1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.847 1.021 -1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.764 -0.709 -0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.855 -2.392 -4.654 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.886 -1.000 -5.193 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.246 -0.757 -4.072 1.00 0.00 H new ATOM 1205 N MET A 77 0.244 -1.062 -0.974 1.00 0.00 N ATOM 1206 CA MET A 77 -0.477 -2.014 -0.146 1.00 0.00 C ATOM 1207 C MET A 77 -1.913 -2.193 -0.641 1.00 0.00 C ATOM 1208 O MET A 77 -2.282 -3.269 -1.109 1.00 0.00 O ATOM 1209 CB MET A 77 -0.494 -1.520 1.302 1.00 0.00 C ATOM 1210 CG MET A 77 0.863 -1.744 1.974 1.00 0.00 C ATOM 1211 SD MET A 77 1.034 -3.456 2.447 1.00 0.00 S ATOM 1212 CE MET A 77 1.255 -3.270 4.208 1.00 0.00 C ATOM 0 H MET A 77 0.419 -0.159 -0.533 1.00 0.00 H new ATOM 0 HA MET A 77 0.031 -2.977 -0.205 1.00 0.00 H new ATOM 0 HB2 MET A 77 -0.745 -0.459 1.325 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.271 -2.043 1.859 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.666 -1.464 1.292 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.953 -1.105 2.852 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.378 -4.252 4.665 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.142 -2.666 4.402 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.381 -2.778 4.634 1.00 0.00 H new ATOM 1222 N LEU A 78 -2.685 -1.123 -0.520 1.00 0.00 N ATOM 1223 CA LEU A 78 -4.073 -1.149 -0.950 1.00 0.00 C ATOM 1224 C LEU A 78 -4.183 -1.937 -2.257 1.00 0.00 C ATOM 1225 O LEU A 78 -5.102 -2.738 -2.427 1.00 0.00 O ATOM 1226 CB LEU A 78 -4.633 0.272 -1.040 1.00 0.00 C ATOM 1227 CG LEU A 78 -6.154 0.387 -1.161 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -6.660 -0.329 -2.414 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -6.845 -0.119 0.107 1.00 0.00 C ATOM 0 H LEU A 78 -2.376 -0.233 -0.130 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.690 -1.664 -0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.316 0.823 -0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.182 0.765 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.409 1.441 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.744 -0.232 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.205 0.118 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.393 -1.384 -2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.925 -0.026 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.586 -1.165 0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.517 0.473 0.961 1.00 0.00 H new ATOM 1241 N GLY A 79 -3.235 -1.683 -3.146 1.00 0.00 N ATOM 1242 CA GLY A 79 -3.214 -2.359 -4.432 1.00 0.00 C ATOM 1243 C GLY A 79 -2.936 -3.854 -4.261 1.00 0.00 C ATOM 1244 O GLY A 79 -3.742 -4.689 -4.668 1.00 0.00 O ATOM 0 H GLY A 79 -2.475 -1.018 -3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.170 -2.219 -4.936 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.449 -1.914 -5.069 1.00 0.00 H new ATOM 1248 N ALA A 80 -1.792 -4.146 -3.659 1.00 0.00 N ATOM 1249 CA ALA A 80 -1.398 -5.525 -3.430 1.00 0.00 C ATOM 1250 C ALA A 80 -2.602 -6.315 -2.912 1.00 0.00 C ATOM 1251 O ALA A 80 -2.933 -7.371 -3.449 1.00 0.00 O ATOM 1252 CB ALA A 80 -0.215 -5.564 -2.462 1.00 0.00 C ATOM 0 H ALA A 80 -1.126 -3.451 -3.323 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.073 -5.991 -4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.081 -6.599 -2.290 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.623 -5.013 -2.889 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.504 -5.107 -1.515 1.00 0.00 H new ATOM 1258 N VAL A 81 -3.223 -5.774 -1.874 1.00 0.00 N ATOM 1259 CA VAL A 81 -4.382 -6.415 -1.278 1.00 0.00 C ATOM 1260 C VAL A 81 -5.512 -6.477 -2.308 1.00 0.00 C ATOM 1261 O VAL A 81 -6.269 -7.446 -2.347 1.00 0.00 O ATOM 1262 CB VAL A 81 -4.783 -5.683 0.005 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -5.278 -4.268 -0.303 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -5.835 -6.476 0.782 1.00 0.00 C ATOM 0 H VAL A 81 -2.945 -4.899 -1.431 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.146 -7.440 -0.992 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.897 -5.598 0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.557 -3.770 0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.485 -3.704 -0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.146 -4.321 -0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.103 -5.934 1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.722 -6.607 0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.431 -7.453 1.049 1.00 0.00 H new ATOM 1274 N TYR A 82 -5.589 -5.431 -3.118 1.00 0.00 N ATOM 1275 CA TYR A 82 -6.614 -5.355 -4.146 1.00 0.00 C ATOM 1276 C TYR A 82 -6.601 -6.606 -5.026 1.00 0.00 C ATOM 1277 O TYR A 82 -7.599 -7.322 -5.108 1.00 0.00 O ATOM 1278 CB TYR A 82 -6.260 -4.139 -5.004 1.00 0.00 C ATOM 1279 CG TYR A 82 -7.475 -3.411 -5.582 1.00 0.00 C ATOM 1280 CD1 TYR A 82 -8.008 -3.809 -6.791 1.00 0.00 C ATOM 1281 CD2 TYR A 82 -8.039 -2.355 -4.894 1.00 0.00 C ATOM 1282 CE1 TYR A 82 -9.151 -3.124 -7.335 1.00 0.00 C ATOM 1283 CE2 TYR A 82 -9.183 -1.670 -5.438 1.00 0.00 C ATOM 1284 CZ TYR A 82 -9.682 -2.088 -6.632 1.00 0.00 C ATOM 1285 OH TYR A 82 -10.763 -1.441 -7.145 1.00 0.00 O ATOM 0 H TYR A 82 -4.959 -4.630 -3.083 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.604 -5.276 -3.697 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.682 -3.438 -4.402 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.618 -4.460 -5.824 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.567 -4.635 -7.329 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.622 -2.043 -3.948 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.577 -3.426 -8.280 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.634 -0.843 -4.910 1.00 0.00 H new ATOM 0 HH TYR A 82 -11.035 -0.724 -6.535 1.00 0.00 H new ATOM 1295 N THR A 83 -5.461 -6.832 -5.662 1.00 0.00 N ATOM 1296 CA THR A 83 -5.306 -7.985 -6.533 1.00 0.00 C ATOM 1297 C THR A 83 -5.453 -9.281 -5.733 1.00 0.00 C ATOM 1298 O THR A 83 -6.016 -10.258 -6.226 1.00 0.00 O ATOM 1299 CB THR A 83 -3.958 -7.861 -7.246 1.00 0.00 C ATOM 1300 OG1 THR A 83 -3.993 -8.885 -8.236 1.00 0.00 O ATOM 1301 CG2 THR A 83 -2.782 -8.250 -6.348 1.00 0.00 C ATOM 0 H THR A 83 -4.636 -6.236 -5.592 1.00 0.00 H new ATOM 0 HA THR A 83 -6.089 -8.017 -7.291 1.00 0.00 H new ATOM 0 HB THR A 83 -3.825 -6.837 -7.594 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.157 -8.875 -8.747 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.850 -8.144 -6.903 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.760 -7.599 -5.474 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.897 -9.285 -6.026 1.00 0.00 H new ATOM 1309 N MET A 84 -4.937 -9.248 -4.513 1.00 0.00 N ATOM 1310 CA MET A 84 -5.004 -10.408 -3.641 1.00 0.00 C ATOM 1311 C MET A 84 -6.455 -10.827 -3.396 1.00 0.00 C ATOM 1312 O MET A 84 -6.895 -11.868 -3.881 1.00 0.00 O ATOM 1313 CB MET A 84 -4.334 -10.082 -2.305 1.00 0.00 C ATOM 1314 CG MET A 84 -3.013 -10.839 -2.155 1.00 0.00 C ATOM 1315 SD MET A 84 -1.646 -9.769 -2.568 1.00 0.00 S ATOM 1316 CE MET A 84 -1.176 -9.221 -0.936 1.00 0.00 C ATOM 0 H MET A 84 -4.471 -8.436 -4.108 1.00 0.00 H new ATOM 0 HA MET A 84 -4.484 -11.234 -4.126 1.00 0.00 H new ATOM 0 HB2 MET A 84 -4.152 -9.009 -2.237 1.00 0.00 H new ATOM 0 HB3 MET A 84 -5.003 -10.344 -1.485 1.00 0.00 H new ATOM 0 HG2 MET A 84 -2.906 -11.201 -1.133 1.00 0.00 H new ATOM 0 HG3 MET A 84 -3.010 -11.714 -2.805 1.00 0.00 H new ATOM 0 HE1 MET A 84 -0.329 -8.539 -1.011 1.00 0.00 H new ATOM 0 HE2 MET A 84 -2.016 -8.706 -0.469 1.00 0.00 H new ATOM 0 HE3 MET A 84 -0.896 -10.082 -0.330 1.00 0.00 H new ATOM 1326 N TYR A 85 -7.159 -9.994 -2.643 1.00 0.00 N ATOM 1327 CA TYR A 85 -8.551 -10.265 -2.327 1.00 0.00 C ATOM 1328 C TYR A 85 -9.369 -10.484 -3.601 1.00 0.00 C ATOM 1329 O TYR A 85 -10.337 -11.243 -3.598 1.00 0.00 O ATOM 1330 CB TYR A 85 -9.071 -9.018 -1.610 1.00 0.00 C ATOM 1331 CG TYR A 85 -10.567 -9.061 -1.292 1.00 0.00 C ATOM 1332 CD1 TYR A 85 -11.028 -9.834 -0.245 1.00 0.00 C ATOM 1333 CD2 TYR A 85 -11.455 -8.327 -2.051 1.00 0.00 C ATOM 1334 CE1 TYR A 85 -12.435 -9.875 0.054 1.00 0.00 C ATOM 1335 CE2 TYR A 85 -12.863 -8.368 -1.751 1.00 0.00 C ATOM 1336 CZ TYR A 85 -13.284 -9.140 -0.713 1.00 0.00 C ATOM 1337 OH TYR A 85 -14.614 -9.178 -0.430 1.00 0.00 O ATOM 0 H TYR A 85 -6.791 -9.131 -2.243 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.638 -11.165 -1.718 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.516 -8.888 -0.681 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.866 -8.144 -2.228 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -10.333 -10.408 0.350 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -11.094 -7.722 -2.870 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -12.809 -10.476 0.870 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -13.569 -7.798 -2.337 1.00 0.00 H new ATOM 0 HH TYR A 85 -15.099 -8.604 -1.059 1.00 0.00 H new ATOM 1347 N SER A 86 -8.950 -9.807 -4.660 1.00 0.00 N ATOM 1348 CA SER A 86 -9.632 -9.918 -5.938 1.00 0.00 C ATOM 1349 C SER A 86 -9.500 -11.343 -6.479 1.00 0.00 C ATOM 1350 O SER A 86 -10.478 -12.088 -6.519 1.00 0.00 O ATOM 1351 CB SER A 86 -9.076 -8.913 -6.948 1.00 0.00 C ATOM 1352 OG SER A 86 -9.785 -7.677 -6.918 1.00 0.00 O ATOM 0 H SER A 86 -8.146 -9.179 -4.659 1.00 0.00 H new ATOM 0 HA SER A 86 -10.687 -9.691 -5.784 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.022 -8.732 -6.736 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.131 -9.338 -7.950 1.00 0.00 H new ATOM 0 HG SER A 86 -9.332 -7.055 -6.311 1.00 0.00 H new ATOM 1358 N ASP A 87 -8.283 -11.679 -6.881 1.00 0.00 N ATOM 1359 CA ASP A 87 -8.011 -13.002 -7.417 1.00 0.00 C ATOM 1360 C ASP A 87 -8.467 -14.060 -6.411 1.00 0.00 C ATOM 1361 O ASP A 87 -8.752 -15.196 -6.786 1.00 0.00 O ATOM 1362 CB ASP A 87 -6.514 -13.198 -7.664 1.00 0.00 C ATOM 1363 CG ASP A 87 -6.158 -13.829 -9.012 1.00 0.00 C ATOM 1364 OD1 ASP A 87 -7.042 -14.141 -9.824 1.00 0.00 O ATOM 1365 OD2 ASP A 87 -4.896 -14.001 -9.217 1.00 0.00 O ATOM 0 H ASP A 87 -7.474 -11.058 -6.846 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.549 -13.101 -8.360 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.019 -12.229 -7.591 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.109 -13.824 -6.869 1.00 0.00 H new ATOM 1370 N TYR A 88 -8.522 -13.649 -5.152 1.00 0.00 N ATOM 1371 CA TYR A 88 -8.939 -14.547 -4.089 1.00 0.00 C ATOM 1372 C TYR A 88 -10.119 -15.413 -4.534 1.00 0.00 C ATOM 1373 O TYR A 88 -10.264 -16.549 -4.086 1.00 0.00 O ATOM 1374 CB TYR A 88 -9.387 -13.652 -2.932 1.00 0.00 C ATOM 1375 CG TYR A 88 -9.235 -14.295 -1.553 1.00 0.00 C ATOM 1376 CD1 TYR A 88 -10.035 -15.362 -1.197 1.00 0.00 C ATOM 1377 CD2 TYR A 88 -8.297 -13.809 -0.664 1.00 0.00 C ATOM 1378 CE1 TYR A 88 -9.891 -15.968 0.102 1.00 0.00 C ATOM 1379 CE2 TYR A 88 -8.154 -14.415 0.635 1.00 0.00 C ATOM 1380 CZ TYR A 88 -8.958 -15.464 0.953 1.00 0.00 C ATOM 1381 OH TYR A 88 -8.823 -16.036 2.180 1.00 0.00 O ATOM 0 H TYR A 88 -8.285 -12.706 -4.845 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.124 -15.215 -3.810 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.809 -12.728 -2.956 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.432 -13.379 -3.081 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.769 -15.742 -1.892 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.671 -12.975 -0.943 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -10.510 -16.804 0.393 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -7.425 -14.044 1.340 1.00 0.00 H new ATOM 0 HH TYR A 88 -8.118 -15.574 2.681 1.00 0.00 H new ATOM 1391 N VAL A 89 -10.933 -14.843 -5.411 1.00 0.00 N ATOM 1392 CA VAL A 89 -12.095 -15.549 -5.922 1.00 0.00 C ATOM 1393 C VAL A 89 -11.690 -16.970 -6.321 1.00 0.00 C ATOM 1394 O VAL A 89 -10.505 -17.259 -6.481 1.00 0.00 O ATOM 1395 CB VAL A 89 -12.722 -14.761 -7.074 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -13.300 -13.434 -6.579 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -11.709 -14.533 -8.197 1.00 0.00 C ATOM 0 H VAL A 89 -10.810 -13.900 -5.780 1.00 0.00 H new ATOM 0 HA VAL A 89 -12.859 -15.634 -5.150 1.00 0.00 H new ATOM 0 HB VAL A 89 -13.542 -15.354 -7.478 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -13.740 -12.893 -7.417 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -14.068 -13.628 -5.830 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -12.505 -12.833 -6.137 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.180 -13.971 -9.003 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.859 -13.971 -7.811 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -11.365 -15.495 -8.578 1.00 0.00 H new