USER MOD reduce.3.24.130724 H: found=0, std=0, add=341, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 333 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 355 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 356 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 338 CYS SG : rot -134:sc= -1.06 USER MOD Set 2.2: A 341 CYS SG : rot 144:sc= 0.361 USER MOD Set 2.3: A 365 CYS SG : rot -34:sc= -0.457 USER MOD Set 2.4: A 368 CYS SG : rot 132:sc= -0.395 USER MOD Set 3.1: A 323 CYS SG : rot -162:sc= -1.17! USER MOD Set 3.2: A 326 CYS SG : rot -64:sc= 0.362 USER MOD Set 3.3: A 346 HIS : no HD1:sc= 0.248 K(o=-4.2,f=-11!) USER MOD Set 3.4: A 349 CYS SG : rot 43:sc= -3.61! USER MOD Single : A 324 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 334 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 335 GLN : amide:sc= 0.317 K(o=0.32,f=-0.55) USER MOD Single : A 343 MET CE :methyl -147:sc= -1.23 (180deg=-3.31!) USER MOD Single : A 348 TYR OH : rot 180:sc= 0 USER MOD Single : A 351 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00113) USER MOD Single : A 364 TYR OH : rot 170:sc= 0.415 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 285 N ALA A 322 5.935 18.863 9.991 1.00 0.00 N ATOM 286 CA ALA A 322 5.166 19.798 9.139 1.00 0.00 C ATOM 287 C ALA A 322 5.033 21.195 9.766 1.00 0.00 C ATOM 288 O ALA A 322 5.462 21.435 10.899 1.00 0.00 O ATOM 289 CB ALA A 322 3.762 19.202 8.875 1.00 0.00 C ATOM 0 HA ALA A 322 5.712 19.922 8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 322 3.189 19.885 8.248 1.00 0.00 H new ATOM 0 HB2 ALA A 322 3.864 18.242 8.368 1.00 0.00 H new ATOM 0 HB3 ALA A 322 3.244 19.058 9.823 1.00 0.00 H new ATOM 295 N CYS A 323 4.402 22.097 8.997 1.00 0.00 N ATOM 296 CA CYS A 323 3.985 23.429 9.453 1.00 0.00 C ATOM 297 C CYS A 323 2.564 23.321 10.016 1.00 0.00 C ATOM 298 O CYS A 323 1.604 23.193 9.252 1.00 0.00 O ATOM 299 CB CYS A 323 4.061 24.434 8.274 1.00 0.00 C ATOM 300 SG CYS A 323 3.130 25.989 8.488 1.00 0.00 S ATOM 0 H CYS A 323 4.164 21.915 8.022 1.00 0.00 H new ATOM 0 HA CYS A 323 4.647 23.796 10.237 1.00 0.00 H new ATOM 0 HB2 CYS A 323 5.108 24.682 8.100 1.00 0.00 H new ATOM 0 HB3 CYS A 323 3.698 23.937 7.375 1.00 0.00 H new ATOM 0 HG CYS A 323 2.967 26.560 7.331 1.00 0.00 H new ATOM 305 N HIS A 324 2.454 23.393 11.357 1.00 0.00 N ATOM 306 CA HIS A 324 1.226 23.060 12.112 1.00 0.00 C ATOM 307 C HIS A 324 0.048 23.982 11.738 1.00 0.00 C ATOM 308 O HIS A 324 -1.110 23.557 11.743 1.00 0.00 O ATOM 309 CB HIS A 324 1.535 23.152 13.631 1.00 0.00 C ATOM 310 CG HIS A 324 0.375 22.843 14.545 1.00 0.00 C ATOM 311 ND1 HIS A 324 -0.576 23.771 14.905 1.00 0.00 N ATOM 312 CD2 HIS A 324 0.018 21.684 15.169 1.00 0.00 C ATOM 313 CE1 HIS A 324 -1.451 23.174 15.712 1.00 0.00 C ATOM 314 NE2 HIS A 324 -1.140 21.905 15.905 1.00 0.00 N ATOM 0 H HIS A 324 3.225 23.688 11.956 1.00 0.00 H new ATOM 0 HA HIS A 324 0.921 22.046 11.853 1.00 0.00 H new ATOM 0 HB2 HIS A 324 2.350 22.466 13.861 1.00 0.00 H new ATOM 0 HB3 HIS A 324 1.892 24.158 13.852 1.00 0.00 H new ATOM 0 HD2 HIS A 324 0.549 20.746 15.102 1.00 0.00 H new ATOM 0 HE1 HIS A 324 -2.306 23.665 16.153 1.00 0.00 H new ATOM 0 HE2 HIS A 324 -1.645 21.227 16.476 1.00 0.00 H new ATOM 322 N VAL A 325 0.383 25.223 11.352 1.00 0.00 N ATOM 323 CA VAL A 325 -0.596 26.305 11.133 1.00 0.00 C ATOM 324 C VAL A 325 -1.529 26.003 9.921 1.00 0.00 C ATOM 325 O VAL A 325 -2.619 26.567 9.806 1.00 0.00 O ATOM 326 CB VAL A 325 0.141 27.691 10.945 1.00 0.00 C ATOM 327 CG1 VAL A 325 -0.846 28.885 10.994 1.00 0.00 C ATOM 328 CG2 VAL A 325 1.272 27.876 11.992 1.00 0.00 C ATOM 0 H VAL A 325 1.347 25.508 11.181 1.00 0.00 H new ATOM 0 HA VAL A 325 -1.226 26.365 12.020 1.00 0.00 H new ATOM 0 HB VAL A 325 0.591 27.676 9.953 1.00 0.00 H new ATOM 0 HG11 VAL A 325 -0.297 29.817 10.861 1.00 0.00 H new ATOM 0 HG12 VAL A 325 -1.583 28.781 10.198 1.00 0.00 H new ATOM 0 HG13 VAL A 325 -1.354 28.898 11.958 1.00 0.00 H new ATOM 0 HG21 VAL A 325 1.759 28.839 11.835 1.00 0.00 H new ATOM 0 HG22 VAL A 325 0.848 27.843 12.996 1.00 0.00 H new ATOM 0 HG23 VAL A 325 2.005 27.077 11.881 1.00 0.00 H new ATOM 338 N CYS A 326 -1.084 25.097 9.031 1.00 0.00 N ATOM 339 CA CYS A 326 -1.887 24.628 7.872 1.00 0.00 C ATOM 340 C CYS A 326 -1.813 23.093 7.735 1.00 0.00 C ATOM 341 O CYS A 326 -2.444 22.511 6.843 1.00 0.00 O ATOM 342 CB CYS A 326 -1.383 25.291 6.573 1.00 0.00 C ATOM 343 SG CYS A 326 0.339 24.881 6.165 1.00 0.00 S ATOM 0 H CYS A 326 -0.161 24.667 9.089 1.00 0.00 H new ATOM 0 HA CYS A 326 -2.926 24.911 8.043 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -2.025 24.986 5.747 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -1.477 26.373 6.667 1.00 0.00 H new ATOM 0 HG CYS A 326 1.127 25.352 7.085 1.00 0.00 H new ATOM 348 N GLY A 327 -1.044 22.449 8.641 1.00 0.00 N ATOM 349 CA GLY A 327 -0.796 21.003 8.601 1.00 0.00 C ATOM 350 C GLY A 327 0.047 20.533 7.416 1.00 0.00 C ATOM 351 O GLY A 327 0.131 19.323 7.148 1.00 0.00 O ATOM 0 H GLY A 327 -0.581 22.923 9.417 1.00 0.00 H new ATOM 0 HA2 GLY A 327 -0.297 20.708 9.524 1.00 0.00 H new ATOM 0 HA3 GLY A 327 -1.754 20.484 8.576 1.00 0.00 H new ATOM 355 N GLY A 328 0.710 21.484 6.735 1.00 0.00 N ATOM 356 CA GLY A 328 1.343 21.227 5.438 1.00 0.00 C ATOM 357 C GLY A 328 2.866 21.283 5.475 1.00 0.00 C ATOM 358 O GLY A 328 3.445 22.148 6.132 1.00 0.00 O ATOM 0 H GLY A 328 0.819 22.442 7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 328 1.033 20.245 5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 328 0.979 21.958 4.716 1.00 0.00 H new ATOM 362 N ARG A 329 3.500 20.347 4.742 1.00 0.00 N ATOM 363 CA ARG A 329 4.965 20.332 4.477 1.00 0.00 C ATOM 364 C ARG A 329 5.270 21.022 3.125 1.00 0.00 C ATOM 365 O ARG A 329 6.354 20.862 2.558 1.00 0.00 O ATOM 366 CB ARG A 329 5.471 18.863 4.441 1.00 0.00 C ATOM 367 CG ARG A 329 5.311 18.096 5.761 1.00 0.00 C ATOM 368 CD ARG A 329 5.835 16.651 5.682 1.00 0.00 C ATOM 369 NE ARG A 329 7.251 16.568 5.263 1.00 0.00 N ATOM 370 CZ ARG A 329 7.931 15.428 5.053 1.00 0.00 C ATOM 371 NH1 ARG A 329 7.355 14.246 5.255 1.00 0.00 N ATOM 372 NH2 ARG A 329 9.182 15.470 4.637 1.00 0.00 N ATOM 0 H ARG A 329 3.008 19.566 4.308 1.00 0.00 H new ATOM 0 HA ARG A 329 5.476 20.874 5.273 1.00 0.00 H new ATOM 0 HB2 ARG A 329 4.934 18.327 3.658 1.00 0.00 H new ATOM 0 HB3 ARG A 329 6.525 18.863 4.162 1.00 0.00 H new ATOM 0 HG2 ARG A 329 5.843 18.627 6.551 1.00 0.00 H new ATOM 0 HG3 ARG A 329 4.258 18.080 6.041 1.00 0.00 H new ATOM 0 HD2 ARG A 329 5.723 16.177 6.657 1.00 0.00 H new ATOM 0 HD3 ARG A 329 5.221 16.086 4.980 1.00 0.00 H new ATOM 0 HE ARG A 329 7.751 17.446 5.122 1.00 0.00 H new ATOM 0 HH11 ARG A 329 6.387 14.198 5.573 1.00 0.00 H new ATOM 0 HH12 ARG A 329 7.881 13.388 5.092 1.00 0.00 H new ATOM 0 HH21 ARG A 329 9.635 16.369 4.474 1.00 0.00 H new ATOM 0 HH22 ARG A 329 9.696 14.603 4.478 1.00 0.00 H new ATOM 386 N GLU A 330 4.298 21.808 2.652 1.00 0.00 N ATOM 387 CA GLU A 330 4.276 22.402 1.301 1.00 0.00 C ATOM 388 C GLU A 330 5.376 23.477 1.111 1.00 0.00 C ATOM 389 O GLU A 330 5.896 23.978 2.087 1.00 0.00 O ATOM 390 CB GLU A 330 2.868 23.026 1.086 1.00 0.00 C ATOM 391 CG GLU A 330 1.693 22.059 1.371 1.00 0.00 C ATOM 392 CD GLU A 330 0.309 22.736 1.307 1.00 0.00 C ATOM 393 OE1 GLU A 330 -0.140 23.298 2.331 1.00 0.00 O ATOM 394 OE2 GLU A 330 -0.348 22.695 0.241 1.00 0.00 O ATOM 0 H GLU A 330 3.481 22.059 3.209 1.00 0.00 H new ATOM 0 HA GLU A 330 4.479 21.624 0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 330 2.768 23.900 1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 330 2.792 23.378 0.057 1.00 0.00 H new ATOM 0 HG2 GLU A 330 1.722 21.242 0.650 1.00 0.00 H new ATOM 0 HG3 GLU A 330 1.827 21.618 2.359 1.00 0.00 H new ATOM 401 N ALA A 331 5.734 23.750 -0.162 1.00 0.00 N ATOM 402 CA ALA A 331 6.607 24.881 -0.605 1.00 0.00 C ATOM 403 C ALA A 331 7.767 25.254 0.376 1.00 0.00 C ATOM 404 O ALA A 331 7.610 26.181 1.195 1.00 0.00 O ATOM 405 CB ALA A 331 5.735 26.099 -0.931 1.00 0.00 C ATOM 0 H ALA A 331 5.418 23.175 -0.943 1.00 0.00 H new ATOM 0 HA ALA A 331 7.124 24.533 -1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.369 26.925 -1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 331 5.037 25.844 -1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 331 5.178 26.396 -0.042 1.00 0.00 H new ATOM 411 N PRO A 332 8.932 24.519 0.316 1.00 0.00 N ATOM 412 CA PRO A 332 10.052 24.668 1.293 1.00 0.00 C ATOM 413 C PRO A 332 10.662 26.084 1.328 1.00 0.00 C ATOM 414 O PRO A 332 10.971 26.612 2.403 1.00 0.00 O ATOM 415 CB PRO A 332 11.099 23.620 0.827 1.00 0.00 C ATOM 416 CG PRO A 332 10.347 22.679 -0.067 1.00 0.00 C ATOM 417 CD PRO A 332 9.242 23.482 -0.703 1.00 0.00 C ATOM 0 HA PRO A 332 9.702 24.511 2.313 1.00 0.00 H new ATOM 0 HB2 PRO A 332 11.922 24.096 0.294 1.00 0.00 H new ATOM 0 HB3 PRO A 332 11.533 23.093 1.677 1.00 0.00 H new ATOM 0 HG2 PRO A 332 11.005 22.256 -0.826 1.00 0.00 H new ATOM 0 HG3 PRO A 332 9.940 21.844 0.503 1.00 0.00 H new ATOM 0 HD2 PRO A 332 9.562 23.928 -1.645 1.00 0.00 H new ATOM 0 HD3 PRO A 332 8.372 22.863 -0.923 1.00 0.00 H new ATOM 425 N GLU A 333 10.827 26.678 0.139 1.00 0.00 N ATOM 426 CA GLU A 333 11.410 28.034 -0.032 1.00 0.00 C ATOM 427 C GLU A 333 10.560 29.143 0.637 1.00 0.00 C ATOM 428 O GLU A 333 11.083 30.215 0.963 1.00 0.00 O ATOM 429 CB GLU A 333 11.613 28.330 -1.542 1.00 0.00 C ATOM 430 CG GLU A 333 10.324 28.284 -2.391 1.00 0.00 C ATOM 431 CD GLU A 333 10.593 28.322 -3.911 1.00 0.00 C ATOM 432 OE1 GLU A 333 10.807 27.239 -4.512 1.00 0.00 O ATOM 433 OE2 GLU A 333 10.582 29.423 -4.509 1.00 0.00 O ATOM 0 H GLU A 333 10.561 26.237 -0.742 1.00 0.00 H new ATOM 0 HA GLU A 333 12.375 28.041 0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 333 12.065 29.316 -1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 333 12.323 27.609 -1.947 1.00 0.00 H new ATOM 0 HG2 GLU A 333 9.770 27.377 -2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 333 9.688 29.127 -2.120 1.00 0.00 H new ATOM 440 N LYS A 334 9.251 28.880 0.834 1.00 0.00 N ATOM 441 CA LYS A 334 8.328 29.821 1.511 1.00 0.00 C ATOM 442 C LYS A 334 8.015 29.365 2.952 1.00 0.00 C ATOM 443 O LYS A 334 7.241 30.031 3.651 1.00 0.00 O ATOM 444 CB LYS A 334 7.034 30.001 0.666 1.00 0.00 C ATOM 445 CG LYS A 334 7.292 30.640 -0.724 1.00 0.00 C ATOM 446 CD LYS A 334 6.010 30.827 -1.571 1.00 0.00 C ATOM 447 CE LYS A 334 5.279 29.503 -1.834 1.00 0.00 C ATOM 448 NZ LYS A 334 4.157 29.636 -2.798 1.00 0.00 N ATOM 0 H LYS A 334 8.804 28.015 0.531 1.00 0.00 H new ATOM 0 HA LYS A 334 8.818 30.791 1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 334 6.560 29.029 0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 334 6.331 30.623 1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 334 7.770 31.610 -0.585 1.00 0.00 H new ATOM 0 HG3 LYS A 334 7.994 30.015 -1.277 1.00 0.00 H new ATOM 0 HD2 LYS A 334 5.337 31.514 -1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 334 6.272 31.289 -2.523 1.00 0.00 H new ATOM 0 HE2 LYS A 334 5.992 28.771 -2.214 1.00 0.00 H new ATOM 0 HE3 LYS A 334 4.895 29.114 -0.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 3.704 28.710 -2.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 3.459 30.312 -2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 4.521 29.980 -3.709 1.00 0.00 H new ATOM 462 N GLN A 335 8.614 28.230 3.386 1.00 0.00 N ATOM 463 CA GLN A 335 8.600 27.809 4.801 1.00 0.00 C ATOM 464 C GLN A 335 9.565 28.684 5.616 1.00 0.00 C ATOM 465 O GLN A 335 10.633 29.071 5.124 1.00 0.00 O ATOM 466 CB GLN A 335 8.997 26.314 4.995 1.00 0.00 C ATOM 467 CG GLN A 335 8.018 25.284 4.402 1.00 0.00 C ATOM 468 CD GLN A 335 8.381 23.825 4.725 1.00 0.00 C ATOM 469 OE1 GLN A 335 8.932 23.526 5.785 1.00 0.00 O ATOM 470 NE2 GLN A 335 8.082 22.910 3.808 1.00 0.00 N ATOM 0 H GLN A 335 9.114 27.589 2.770 1.00 0.00 H new ATOM 0 HA GLN A 335 7.574 27.929 5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 335 9.978 26.156 4.547 1.00 0.00 H new ATOM 0 HB3 GLN A 335 9.099 26.119 6.063 1.00 0.00 H new ATOM 0 HG2 GLN A 335 7.016 25.491 4.778 1.00 0.00 H new ATOM 0 HG3 GLN A 335 7.985 25.409 3.320 1.00 0.00 H new ATOM 0 HE21 GLN A 335 7.625 23.189 2.939 1.00 0.00 H new ATOM 0 HE22 GLN A 335 8.309 21.929 3.973 1.00 0.00 H new ATOM 479 N LEU A 336 9.167 28.985 6.854 1.00 0.00 N ATOM 480 CA LEU A 336 10.001 29.700 7.833 1.00 0.00 C ATOM 481 C LEU A 336 9.972 28.930 9.155 1.00 0.00 C ATOM 482 O LEU A 336 8.975 28.951 9.877 1.00 0.00 O ATOM 483 CB LEU A 336 9.504 31.160 8.026 1.00 0.00 C ATOM 484 CG LEU A 336 9.808 32.150 6.861 1.00 0.00 C ATOM 485 CD1 LEU A 336 9.178 33.538 7.121 1.00 0.00 C ATOM 486 CD2 LEU A 336 11.332 32.274 6.612 1.00 0.00 C ATOM 0 H LEU A 336 8.245 28.737 7.213 1.00 0.00 H new ATOM 0 HA LEU A 336 11.026 29.756 7.467 1.00 0.00 H new ATOM 0 HB2 LEU A 336 8.426 31.137 8.183 1.00 0.00 H new ATOM 0 HB3 LEU A 336 9.951 31.556 8.938 1.00 0.00 H new ATOM 0 HG LEU A 336 9.352 31.741 5.959 1.00 0.00 H new ATOM 0 HD11 LEU A 336 9.409 34.204 6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 336 8.097 33.435 7.214 1.00 0.00 H new ATOM 0 HD13 LEU A 336 9.583 33.955 8.043 1.00 0.00 H new ATOM 0 HD21 LEU A 336 11.511 32.971 5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 336 11.820 32.641 7.515 1.00 0.00 H new ATOM 0 HD23 LEU A 336 11.739 31.297 6.352 1.00 0.00 H new ATOM 498 N LEU A 337 11.059 28.219 9.438 1.00 0.00 N ATOM 499 CA LEU A 337 11.193 27.394 10.646 1.00 0.00 C ATOM 500 C LEU A 337 11.792 28.230 11.795 1.00 0.00 C ATOM 501 O LEU A 337 12.874 28.807 11.654 1.00 0.00 O ATOM 502 CB LEU A 337 12.063 26.124 10.388 1.00 0.00 C ATOM 503 CG LEU A 337 11.470 25.035 9.431 1.00 0.00 C ATOM 504 CD1 LEU A 337 11.419 25.498 7.954 1.00 0.00 C ATOM 505 CD2 LEU A 337 12.234 23.693 9.569 1.00 0.00 C ATOM 0 H LEU A 337 11.881 28.195 8.834 1.00 0.00 H new ATOM 0 HA LEU A 337 10.196 27.056 10.929 1.00 0.00 H new ATOM 0 HB2 LEU A 337 13.021 26.447 9.980 1.00 0.00 H new ATOM 0 HB3 LEU A 337 12.268 25.654 11.350 1.00 0.00 H new ATOM 0 HG LEU A 337 10.438 24.877 9.743 1.00 0.00 H new ATOM 0 HD11 LEU A 337 10.999 24.703 7.338 1.00 0.00 H new ATOM 0 HD12 LEU A 337 10.795 26.388 7.873 1.00 0.00 H new ATOM 0 HD13 LEU A 337 12.427 25.730 7.610 1.00 0.00 H new ATOM 0 HD21 LEU A 337 11.800 22.956 8.893 1.00 0.00 H new ATOM 0 HD22 LEU A 337 13.283 23.844 9.316 1.00 0.00 H new ATOM 0 HD23 LEU A 337 12.156 23.334 10.595 1.00 0.00 H new ATOM 517 N CYS A 338 11.062 28.314 12.917 1.00 0.00 N ATOM 518 CA CYS A 338 11.538 28.978 14.139 1.00 0.00 C ATOM 519 C CYS A 338 12.353 27.980 14.969 1.00 0.00 C ATOM 520 O CYS A 338 11.768 27.070 15.564 1.00 0.00 O ATOM 521 CB CYS A 338 10.350 29.501 14.978 1.00 0.00 C ATOM 522 SG CYS A 338 10.839 30.461 16.456 1.00 0.00 S ATOM 0 H CYS A 338 10.124 27.923 13.002 1.00 0.00 H new ATOM 0 HA CYS A 338 12.161 29.827 13.858 1.00 0.00 H new ATOM 0 HB2 CYS A 338 9.720 30.126 14.345 1.00 0.00 H new ATOM 0 HB3 CYS A 338 9.742 28.653 15.294 1.00 0.00 H new ATOM 0 HG CYS A 338 10.142 30.066 17.480 1.00 0.00 H new ATOM 527 N ASP A 339 13.694 28.143 14.982 1.00 0.00 N ATOM 528 CA ASP A 339 14.620 27.266 15.756 1.00 0.00 C ATOM 529 C ASP A 339 14.217 27.188 17.249 1.00 0.00 C ATOM 530 O ASP A 339 14.256 26.114 17.858 1.00 0.00 O ATOM 531 CB ASP A 339 16.080 27.780 15.604 1.00 0.00 C ATOM 532 CG ASP A 339 17.106 27.010 16.468 1.00 0.00 C ATOM 533 OD1 ASP A 339 17.410 25.839 16.151 1.00 0.00 O ATOM 534 OD2 ASP A 339 17.615 27.571 17.470 1.00 0.00 O ATOM 0 H ASP A 339 14.170 28.880 14.462 1.00 0.00 H new ATOM 0 HA ASP A 339 14.553 26.256 15.351 1.00 0.00 H new ATOM 0 HB2 ASP A 339 16.374 27.707 14.557 1.00 0.00 H new ATOM 0 HB3 ASP A 339 16.113 28.836 15.872 1.00 0.00 H new ATOM 539 N GLU A 340 13.801 28.343 17.789 1.00 0.00 N ATOM 540 CA GLU A 340 13.330 28.492 19.182 1.00 0.00 C ATOM 541 C GLU A 340 12.167 27.521 19.522 1.00 0.00 C ATOM 542 O GLU A 340 12.139 26.925 20.602 1.00 0.00 O ATOM 543 CB GLU A 340 12.893 29.967 19.394 1.00 0.00 C ATOM 544 CG GLU A 340 12.388 30.319 20.807 1.00 0.00 C ATOM 545 CD GLU A 340 13.424 30.060 21.918 1.00 0.00 C ATOM 546 OE1 GLU A 340 13.269 29.082 22.684 1.00 0.00 O ATOM 547 OE2 GLU A 340 14.398 30.837 22.034 1.00 0.00 O ATOM 0 H GLU A 340 13.780 29.217 17.264 1.00 0.00 H new ATOM 0 HA GLU A 340 14.147 28.235 19.856 1.00 0.00 H new ATOM 0 HB2 GLU A 340 13.738 30.614 19.159 1.00 0.00 H new ATOM 0 HB3 GLU A 340 12.104 30.199 18.678 1.00 0.00 H new ATOM 0 HG2 GLU A 340 12.100 31.370 20.829 1.00 0.00 H new ATOM 0 HG3 GLU A 340 11.490 29.738 21.017 1.00 0.00 H new ATOM 554 N CYS A 341 11.228 27.347 18.582 1.00 0.00 N ATOM 555 CA CYS A 341 9.987 26.567 18.814 1.00 0.00 C ATOM 556 C CYS A 341 10.010 25.210 18.086 1.00 0.00 C ATOM 557 O CYS A 341 9.100 24.391 18.277 1.00 0.00 O ATOM 558 CB CYS A 341 8.773 27.405 18.340 1.00 0.00 C ATOM 559 SG CYS A 341 8.568 28.988 19.214 1.00 0.00 S ATOM 0 H CYS A 341 11.299 27.737 17.642 1.00 0.00 H new ATOM 0 HA CYS A 341 9.910 26.356 19.881 1.00 0.00 H new ATOM 0 HB2 CYS A 341 8.878 27.603 17.273 1.00 0.00 H new ATOM 0 HB3 CYS A 341 7.866 26.813 18.467 1.00 0.00 H new ATOM 0 HG CYS A 341 8.134 29.889 18.384 1.00 0.00 H new ATOM 564 N ASP A 342 11.049 25.001 17.241 1.00 0.00 N ATOM 565 CA ASP A 342 11.152 23.858 16.288 1.00 0.00 C ATOM 566 C ASP A 342 9.964 23.795 15.307 1.00 0.00 C ATOM 567 O ASP A 342 9.758 22.778 14.634 1.00 0.00 O ATOM 568 CB ASP A 342 11.282 22.499 17.032 1.00 0.00 C ATOM 569 CG ASP A 342 12.586 22.365 17.838 1.00 0.00 C ATOM 570 OD1 ASP A 342 12.709 23.007 18.907 1.00 0.00 O ATOM 571 OD2 ASP A 342 13.478 21.592 17.421 1.00 0.00 O ATOM 0 H ASP A 342 11.852 25.628 17.198 1.00 0.00 H new ATOM 0 HA ASP A 342 12.059 24.036 15.711 1.00 0.00 H new ATOM 0 HB2 ASP A 342 10.433 22.380 17.706 1.00 0.00 H new ATOM 0 HB3 ASP A 342 11.228 21.689 16.305 1.00 0.00 H new ATOM 576 N MET A 343 9.219 24.898 15.197 1.00 0.00 N ATOM 577 CA MET A 343 7.950 24.921 14.475 1.00 0.00 C ATOM 578 C MET A 343 8.147 25.524 13.091 1.00 0.00 C ATOM 579 O MET A 343 8.604 26.667 12.969 1.00 0.00 O ATOM 580 CB MET A 343 6.879 25.712 15.276 1.00 0.00 C ATOM 581 CG MET A 343 5.445 25.695 14.690 1.00 0.00 C ATOM 582 SD MET A 343 4.513 24.165 14.994 1.00 0.00 S ATOM 583 CE MET A 343 5.253 22.962 13.885 1.00 0.00 C ATOM 0 H MET A 343 9.480 25.796 15.605 1.00 0.00 H new ATOM 0 HA MET A 343 7.594 23.897 14.359 1.00 0.00 H new ATOM 0 HB2 MET A 343 6.841 25.311 16.289 1.00 0.00 H new ATOM 0 HB3 MET A 343 7.206 26.749 15.356 1.00 0.00 H new ATOM 0 HG2 MET A 343 4.887 26.532 15.109 1.00 0.00 H new ATOM 0 HG3 MET A 343 5.506 25.859 13.614 1.00 0.00 H new ATOM 0 HE1 MET A 343 4.490 22.261 13.547 1.00 0.00 H new ATOM 0 HE2 MET A 343 5.681 23.476 13.024 1.00 0.00 H new ATOM 0 HE3 MET A 343 6.038 22.418 14.410 1.00 0.00 H new ATOM 593 N ALA A 344 7.841 24.727 12.059 1.00 0.00 N ATOM 594 CA ALA A 344 7.792 25.193 10.674 1.00 0.00 C ATOM 595 C ALA A 344 6.561 26.090 10.463 1.00 0.00 C ATOM 596 O ALA A 344 5.483 25.838 11.024 1.00 0.00 O ATOM 597 CB ALA A 344 7.784 24.004 9.697 1.00 0.00 C ATOM 0 H ALA A 344 7.620 23.737 12.166 1.00 0.00 H new ATOM 0 HA ALA A 344 8.687 25.782 10.471 1.00 0.00 H new ATOM 0 HB1 ALA A 344 7.747 24.375 8.673 1.00 0.00 H new ATOM 0 HB2 ALA A 344 8.689 23.412 9.836 1.00 0.00 H new ATOM 0 HB3 ALA A 344 6.910 23.381 9.889 1.00 0.00 H new ATOM 603 N PHE A 345 6.745 27.153 9.681 1.00 0.00 N ATOM 604 CA PHE A 345 5.671 28.085 9.288 1.00 0.00 C ATOM 605 C PHE A 345 5.687 28.262 7.764 1.00 0.00 C ATOM 606 O PHE A 345 6.381 27.538 7.053 1.00 0.00 O ATOM 607 CB PHE A 345 5.845 29.464 9.989 1.00 0.00 C ATOM 608 CG PHE A 345 5.660 29.440 11.503 1.00 0.00 C ATOM 609 CD1 PHE A 345 4.409 29.667 12.072 1.00 0.00 C ATOM 610 CD2 PHE A 345 6.731 29.181 12.356 1.00 0.00 C ATOM 611 CE1 PHE A 345 4.237 29.636 13.444 1.00 0.00 C ATOM 612 CE2 PHE A 345 6.556 29.151 13.722 1.00 0.00 C ATOM 613 CZ PHE A 345 5.308 29.377 14.268 1.00 0.00 C ATOM 0 H PHE A 345 7.655 27.401 9.293 1.00 0.00 H new ATOM 0 HA PHE A 345 4.713 27.669 9.600 1.00 0.00 H new ATOM 0 HB2 PHE A 345 6.841 29.847 9.765 1.00 0.00 H new ATOM 0 HB3 PHE A 345 5.130 30.166 9.561 1.00 0.00 H new ATOM 0 HD1 PHE A 345 3.562 29.870 11.433 1.00 0.00 H new ATOM 0 HD2 PHE A 345 7.712 29.001 11.941 1.00 0.00 H new ATOM 0 HE1 PHE A 345 3.261 29.815 13.869 1.00 0.00 H new ATOM 0 HE2 PHE A 345 7.398 28.950 14.368 1.00 0.00 H new ATOM 0 HZ PHE A 345 5.173 29.351 15.339 1.00 0.00 H new ATOM 623 N HIS A 346 4.861 29.188 7.281 1.00 0.00 N ATOM 624 CA HIS A 346 4.904 29.703 5.899 1.00 0.00 C ATOM 625 C HIS A 346 4.770 31.222 5.951 1.00 0.00 C ATOM 626 O HIS A 346 4.346 31.758 6.983 1.00 0.00 O ATOM 627 CB HIS A 346 3.784 29.082 5.010 1.00 0.00 C ATOM 628 CG HIS A 346 4.051 27.661 4.594 1.00 0.00 C ATOM 629 ND1 HIS A 346 3.277 26.594 5.010 1.00 0.00 N ATOM 630 CD2 HIS A 346 5.041 27.199 3.810 1.00 0.00 C ATOM 631 CE1 HIS A 346 3.823 25.531 4.465 1.00 0.00 C ATOM 632 NE2 HIS A 346 4.889 25.854 3.741 1.00 0.00 N ATOM 0 H HIS A 346 4.126 29.615 7.844 1.00 0.00 H new ATOM 0 HA HIS A 346 5.853 29.421 5.444 1.00 0.00 H new ATOM 0 HB2 HIS A 346 2.840 29.119 5.554 1.00 0.00 H new ATOM 0 HB3 HIS A 346 3.662 29.695 4.117 1.00 0.00 H new ATOM 0 HD2 HIS A 346 5.809 27.786 3.328 1.00 0.00 H new ATOM 0 HE1 HIS A 346 3.453 24.524 4.589 1.00 0.00 H new ATOM 0 HE2 HIS A 346 5.486 25.206 3.226 1.00 0.00 H new ATOM 640 N LEU A 347 5.116 31.891 4.845 1.00 0.00 N ATOM 641 CA LEU A 347 4.984 33.356 4.697 1.00 0.00 C ATOM 642 C LEU A 347 3.551 33.842 5.046 1.00 0.00 C ATOM 643 O LEU A 347 3.377 34.834 5.760 1.00 0.00 O ATOM 644 CB LEU A 347 5.363 33.761 3.242 1.00 0.00 C ATOM 645 CG LEU A 347 6.863 33.591 2.835 1.00 0.00 C ATOM 646 CD1 LEU A 347 7.101 34.020 1.365 1.00 0.00 C ATOM 647 CD2 LEU A 347 7.788 34.369 3.796 1.00 0.00 C ATOM 0 H LEU A 347 5.499 31.433 4.018 1.00 0.00 H new ATOM 0 HA LEU A 347 5.664 33.838 5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 347 4.755 33.172 2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 347 5.087 34.805 3.096 1.00 0.00 H new ATOM 0 HG LEU A 347 7.109 32.532 2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 347 8.154 33.890 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 347 6.491 33.405 0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 347 6.826 35.068 1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 347 8.826 34.234 3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 347 7.536 35.429 3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 347 7.657 33.994 4.811 1.00 0.00 H new ATOM 659 N TYR A 348 2.536 33.093 4.570 1.00 0.00 N ATOM 660 CA TYR A 348 1.108 33.415 4.791 1.00 0.00 C ATOM 661 C TYR A 348 0.527 32.693 6.033 1.00 0.00 C ATOM 662 O TYR A 348 -0.642 32.888 6.368 1.00 0.00 O ATOM 663 CB TYR A 348 0.276 33.096 3.513 1.00 0.00 C ATOM 664 CG TYR A 348 0.296 31.619 3.032 1.00 0.00 C ATOM 665 CD1 TYR A 348 1.424 31.080 2.402 1.00 0.00 C ATOM 666 CD2 TYR A 348 -0.821 30.790 3.164 1.00 0.00 C ATOM 667 CE1 TYR A 348 1.434 29.790 1.920 1.00 0.00 C ATOM 668 CE2 TYR A 348 -0.809 29.489 2.688 1.00 0.00 C ATOM 669 CZ TYR A 348 0.316 28.996 2.065 1.00 0.00 C ATOM 670 OH TYR A 348 0.323 27.711 1.566 1.00 0.00 O ATOM 0 H TYR A 348 2.682 32.246 4.020 1.00 0.00 H new ATOM 0 HA TYR A 348 1.041 34.484 4.993 1.00 0.00 H new ATOM 0 HB2 TYR A 348 -0.759 33.382 3.698 1.00 0.00 H new ATOM 0 HB3 TYR A 348 0.640 33.726 2.701 1.00 0.00 H new ATOM 0 HD1 TYR A 348 2.308 31.691 2.291 1.00 0.00 H new ATOM 0 HD2 TYR A 348 -1.710 31.170 3.646 1.00 0.00 H new ATOM 0 HE1 TYR A 348 2.315 29.402 1.430 1.00 0.00 H new ATOM 0 HE2 TYR A 348 -1.681 28.862 2.805 1.00 0.00 H new ATOM 0 HH TYR A 348 -0.539 27.284 1.751 1.00 0.00 H new ATOM 680 N CYS A 349 1.346 31.866 6.715 1.00 0.00 N ATOM 681 CA CYS A 349 0.943 31.184 7.977 1.00 0.00 C ATOM 682 C CYS A 349 1.403 31.979 9.218 1.00 0.00 C ATOM 683 O CYS A 349 1.366 31.468 10.344 1.00 0.00 O ATOM 684 CB CYS A 349 1.520 29.756 8.026 1.00 0.00 C ATOM 685 SG CYS A 349 0.896 28.658 6.729 1.00 0.00 S ATOM 0 H CYS A 349 2.297 31.649 6.416 1.00 0.00 H new ATOM 0 HA CYS A 349 -0.146 31.131 7.990 1.00 0.00 H new ATOM 0 HB2 CYS A 349 2.606 29.812 7.948 1.00 0.00 H new ATOM 0 HB3 CYS A 349 1.293 29.318 8.998 1.00 0.00 H new ATOM 0 HG CYS A 349 0.864 29.297 5.598 1.00 0.00 H new ATOM 690 N LEU A 350 1.858 33.221 8.994 1.00 0.00 N ATOM 691 CA LEU A 350 2.291 34.136 10.065 1.00 0.00 C ATOM 692 C LEU A 350 1.162 35.122 10.415 1.00 0.00 C ATOM 693 O LEU A 350 0.110 35.126 9.766 1.00 0.00 O ATOM 694 CB LEU A 350 3.581 34.880 9.621 1.00 0.00 C ATOM 695 CG LEU A 350 4.787 33.953 9.271 1.00 0.00 C ATOM 696 CD1 LEU A 350 6.000 34.762 8.784 1.00 0.00 C ATOM 697 CD2 LEU A 350 5.161 33.046 10.464 1.00 0.00 C ATOM 0 H LEU A 350 1.937 33.623 8.060 1.00 0.00 H new ATOM 0 HA LEU A 350 2.517 33.564 10.965 1.00 0.00 H new ATOM 0 HB2 LEU A 350 3.348 35.493 8.750 1.00 0.00 H new ATOM 0 HB3 LEU A 350 3.883 35.560 10.418 1.00 0.00 H new ATOM 0 HG LEU A 350 4.474 33.309 8.449 1.00 0.00 H new ATOM 0 HD11 LEU A 350 6.820 34.083 8.550 1.00 0.00 H new ATOM 0 HD12 LEU A 350 5.728 35.324 7.891 1.00 0.00 H new ATOM 0 HD13 LEU A 350 6.314 35.454 9.566 1.00 0.00 H new ATOM 0 HD21 LEU A 350 6.004 32.412 10.189 1.00 0.00 H new ATOM 0 HD22 LEU A 350 5.435 33.664 11.319 1.00 0.00 H new ATOM 0 HD23 LEU A 350 4.308 32.421 10.727 1.00 0.00 H new ATOM 709 N LYS A 351 1.397 35.950 11.441 1.00 0.00 N ATOM 710 CA LYS A 351 0.414 36.929 11.936 1.00 0.00 C ATOM 711 C LYS A 351 1.197 38.092 12.590 1.00 0.00 C ATOM 712 O LYS A 351 1.607 37.962 13.747 1.00 0.00 O ATOM 713 CB LYS A 351 -0.564 36.238 12.943 1.00 0.00 C ATOM 714 CG LYS A 351 -1.855 37.027 13.262 1.00 0.00 C ATOM 715 CD LYS A 351 -2.779 37.179 12.032 1.00 0.00 C ATOM 716 CE LYS A 351 -4.105 37.893 12.358 1.00 0.00 C ATOM 717 NZ LYS A 351 -3.900 39.301 12.789 1.00 0.00 N ATOM 0 H LYS A 351 2.278 35.962 11.955 1.00 0.00 H new ATOM 0 HA LYS A 351 -0.196 37.323 11.123 1.00 0.00 H new ATOM 0 HB2 LYS A 351 -0.844 35.264 12.541 1.00 0.00 H new ATOM 0 HB3 LYS A 351 -0.030 36.057 13.876 1.00 0.00 H new ATOM 0 HG2 LYS A 351 -2.398 36.520 14.059 1.00 0.00 H new ATOM 0 HG3 LYS A 351 -1.589 38.016 13.636 1.00 0.00 H new ATOM 0 HD2 LYS A 351 -2.254 37.737 11.257 1.00 0.00 H new ATOM 0 HD3 LYS A 351 -2.995 36.192 11.623 1.00 0.00 H new ATOM 0 HE2 LYS A 351 -4.750 37.875 11.479 1.00 0.00 H new ATOM 0 HE3 LYS A 351 -4.624 37.347 13.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 -4.822 39.743 12.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 -3.321 39.319 13.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 -3.413 39.827 12.035 1.00 0.00 H new ATOM 731 N PRO A 352 1.488 39.231 11.865 1.00 0.00 N ATOM 732 CA PRO A 352 1.063 39.488 10.455 1.00 0.00 C ATOM 733 C PRO A 352 1.850 38.647 9.408 1.00 0.00 C ATOM 734 O PRO A 352 3.053 38.394 9.597 1.00 0.00 O ATOM 735 CB PRO A 352 1.347 41.007 10.283 1.00 0.00 C ATOM 736 CG PRO A 352 2.499 41.280 11.205 1.00 0.00 C ATOM 737 CD PRO A 352 2.279 40.378 12.405 1.00 0.00 C ATOM 0 HA PRO A 352 0.024 39.205 10.284 1.00 0.00 H new ATOM 0 HB2 PRO A 352 1.599 41.249 9.251 1.00 0.00 H new ATOM 0 HB3 PRO A 352 0.476 41.606 10.548 1.00 0.00 H new ATOM 0 HG2 PRO A 352 3.450 41.063 10.720 1.00 0.00 H new ATOM 0 HG3 PRO A 352 2.525 42.329 11.501 1.00 0.00 H new ATOM 0 HD2 PRO A 352 3.225 40.043 12.830 1.00 0.00 H new ATOM 0 HD3 PRO A 352 1.739 40.895 13.198 1.00 0.00 H new ATOM 745 N PRO A 353 1.164 38.164 8.314 1.00 0.00 N ATOM 746 CA PRO A 353 1.818 37.397 7.223 1.00 0.00 C ATOM 747 C PRO A 353 2.892 38.224 6.485 1.00 0.00 C ATOM 748 O PRO A 353 2.609 39.339 6.022 1.00 0.00 O ATOM 749 CB PRO A 353 0.638 37.019 6.273 1.00 0.00 C ATOM 750 CG PRO A 353 -0.586 37.148 7.128 1.00 0.00 C ATOM 751 CD PRO A 353 -0.301 38.296 8.069 1.00 0.00 C ATOM 0 HA PRO A 353 2.355 36.527 7.601 1.00 0.00 H new ATOM 0 HB2 PRO A 353 0.593 37.685 5.411 1.00 0.00 H new ATOM 0 HB3 PRO A 353 0.748 36.006 5.887 1.00 0.00 H new ATOM 0 HG2 PRO A 353 -1.469 37.348 6.521 1.00 0.00 H new ATOM 0 HG3 PRO A 353 -0.779 36.227 7.679 1.00 0.00 H new ATOM 0 HD2 PRO A 353 -0.552 39.258 7.622 1.00 0.00 H new ATOM 0 HD3 PRO A 353 -0.875 38.215 8.992 1.00 0.00 H new ATOM 759 N LEU A 354 4.119 37.674 6.397 1.00 0.00 N ATOM 760 CA LEU A 354 5.220 38.299 5.641 1.00 0.00 C ATOM 761 C LEU A 354 5.027 38.038 4.139 1.00 0.00 C ATOM 762 O LEU A 354 4.715 36.914 3.736 1.00 0.00 O ATOM 763 CB LEU A 354 6.606 37.764 6.116 1.00 0.00 C ATOM 764 CG LEU A 354 6.987 38.097 7.593 1.00 0.00 C ATOM 765 CD1 LEU A 354 8.351 37.478 7.980 1.00 0.00 C ATOM 766 CD2 LEU A 354 6.972 39.624 7.861 1.00 0.00 C ATOM 0 H LEU A 354 4.372 36.793 6.844 1.00 0.00 H new ATOM 0 HA LEU A 354 5.201 39.373 5.825 1.00 0.00 H new ATOM 0 HB2 LEU A 354 6.620 36.681 5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 354 7.376 38.170 5.460 1.00 0.00 H new ATOM 0 HG LEU A 354 6.225 37.646 8.228 1.00 0.00 H new ATOM 0 HD11 LEU A 354 8.584 37.730 9.014 1.00 0.00 H new ATOM 0 HD12 LEU A 354 8.302 36.394 7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 354 9.128 37.873 7.326 1.00 0.00 H new ATOM 0 HD21 LEU A 354 7.242 39.814 8.900 1.00 0.00 H new ATOM 0 HD22 LEU A 354 7.689 40.116 7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 354 5.974 40.017 7.668 1.00 0.00 H new ATOM 778 N THR A 355 5.205 39.090 3.328 1.00 0.00 N ATOM 779 CA THR A 355 5.056 39.028 1.863 1.00 0.00 C ATOM 780 C THR A 355 6.224 38.255 1.223 1.00 0.00 C ATOM 781 O THR A 355 6.030 37.461 0.297 1.00 0.00 O ATOM 782 CB THR A 355 4.981 40.465 1.255 1.00 0.00 C ATOM 783 OG1 THR A 355 6.145 41.216 1.637 1.00 0.00 O ATOM 784 CG2 THR A 355 3.722 41.222 1.707 1.00 0.00 C ATOM 0 H THR A 355 5.459 40.017 3.671 1.00 0.00 H new ATOM 0 HA THR A 355 4.127 38.501 1.646 1.00 0.00 H new ATOM 0 HB THR A 355 4.937 40.356 0.171 1.00 0.00 H new ATOM 0 HG1 THR A 355 6.095 42.116 1.252 1.00 0.00 H new ATOM 0 HG21 THR A 355 3.714 42.216 1.259 1.00 0.00 H new ATOM 0 HG22 THR A 355 2.835 40.674 1.390 1.00 0.00 H new ATOM 0 HG23 THR A 355 3.723 41.314 2.793 1.00 0.00 H new ATOM 792 N SER A 356 7.429 38.500 1.746 1.00 0.00 N ATOM 793 CA SER A 356 8.680 37.919 1.240 1.00 0.00 C ATOM 794 C SER A 356 9.478 37.327 2.416 1.00 0.00 C ATOM 795 O SER A 356 9.235 37.698 3.575 1.00 0.00 O ATOM 796 CB SER A 356 9.502 39.027 0.539 1.00 0.00 C ATOM 797 OG SER A 356 8.758 39.675 -0.483 1.00 0.00 O ATOM 0 H SER A 356 7.567 39.118 2.546 1.00 0.00 H new ATOM 0 HA SER A 356 8.464 37.125 0.525 1.00 0.00 H new ATOM 0 HB2 SER A 356 9.822 39.763 1.277 1.00 0.00 H new ATOM 0 HB3 SER A 356 10.405 38.592 0.110 1.00 0.00 H new ATOM 0 HG SER A 356 9.311 40.369 -0.900 1.00 0.00 H new ATOM 803 N VAL A 357 10.424 36.409 2.113 1.00 0.00 N ATOM 804 CA VAL A 357 11.354 35.860 3.121 1.00 0.00 C ATOM 805 C VAL A 357 12.243 37.014 3.674 1.00 0.00 C ATOM 806 O VAL A 357 12.864 37.739 2.884 1.00 0.00 O ATOM 807 CB VAL A 357 12.236 34.674 2.534 1.00 0.00 C ATOM 808 CG1 VAL A 357 13.081 35.115 1.314 1.00 0.00 C ATOM 809 CG2 VAL A 357 13.135 34.035 3.629 1.00 0.00 C ATOM 0 H VAL A 357 10.562 36.033 1.175 1.00 0.00 H new ATOM 0 HA VAL A 357 10.773 35.431 3.937 1.00 0.00 H new ATOM 0 HB VAL A 357 11.537 33.914 2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 357 13.665 34.269 0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 357 12.420 35.467 0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 357 13.754 35.920 1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 357 13.723 33.228 3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 357 13.804 34.792 4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 357 12.509 33.636 4.427 1.00 0.00 H new ATOM 819 N PRO A 358 12.267 37.251 5.025 1.00 0.00 N ATOM 820 CA PRO A 358 12.997 38.401 5.625 1.00 0.00 C ATOM 821 C PRO A 358 14.541 38.225 5.545 1.00 0.00 C ATOM 822 O PRO A 358 15.031 37.089 5.493 1.00 0.00 O ATOM 823 CB PRO A 358 12.479 38.413 7.088 1.00 0.00 C ATOM 824 CG PRO A 358 12.156 36.981 7.370 1.00 0.00 C ATOM 825 CD PRO A 358 11.601 36.428 6.074 1.00 0.00 C ATOM 0 HA PRO A 358 12.817 39.341 5.103 1.00 0.00 H new ATOM 0 HB2 PRO A 358 13.234 38.795 7.775 1.00 0.00 H new ATOM 0 HB3 PRO A 358 11.600 39.049 7.195 1.00 0.00 H new ATOM 0 HG2 PRO A 358 13.045 36.432 7.682 1.00 0.00 H new ATOM 0 HG3 PRO A 358 11.428 36.894 8.177 1.00 0.00 H new ATOM 0 HD2 PRO A 358 11.832 35.369 5.959 1.00 0.00 H new ATOM 0 HD3 PRO A 358 10.516 36.524 6.030 1.00 0.00 H new ATOM 833 N PRO A 359 15.337 39.347 5.546 1.00 0.00 N ATOM 834 CA PRO A 359 16.822 39.294 5.379 1.00 0.00 C ATOM 835 C PRO A 359 17.571 38.977 6.697 1.00 0.00 C ATOM 836 O PRO A 359 18.790 39.181 6.794 1.00 0.00 O ATOM 837 CB PRO A 359 17.130 40.727 4.885 1.00 0.00 C ATOM 838 CG PRO A 359 16.166 41.572 5.657 1.00 0.00 C ATOM 839 CD PRO A 359 14.878 40.765 5.714 1.00 0.00 C ATOM 0 HA PRO A 359 17.147 38.501 4.705 1.00 0.00 H new ATOM 0 HB2 PRO A 359 18.163 41.009 5.087 1.00 0.00 H new ATOM 0 HB3 PRO A 359 16.978 40.823 3.810 1.00 0.00 H new ATOM 0 HG2 PRO A 359 16.542 41.783 6.658 1.00 0.00 H new ATOM 0 HG3 PRO A 359 16.006 42.533 5.168 1.00 0.00 H new ATOM 0 HD2 PRO A 359 14.358 40.908 6.661 1.00 0.00 H new ATOM 0 HD3 PRO A 359 14.187 41.058 4.924 1.00 0.00 H new ATOM 847 N GLU A 360 16.824 38.478 7.693 1.00 0.00 N ATOM 848 CA GLU A 360 17.339 38.180 9.035 1.00 0.00 C ATOM 849 C GLU A 360 18.420 37.068 8.999 1.00 0.00 C ATOM 850 O GLU A 360 18.234 36.052 8.318 1.00 0.00 O ATOM 851 CB GLU A 360 16.170 37.765 9.969 1.00 0.00 C ATOM 852 CG GLU A 360 14.981 38.749 9.990 1.00 0.00 C ATOM 853 CD GLU A 360 15.379 40.191 10.361 1.00 0.00 C ATOM 854 OE1 GLU A 360 15.542 40.480 11.568 1.00 0.00 O ATOM 855 OE2 GLU A 360 15.540 41.041 9.451 1.00 0.00 O ATOM 0 H GLU A 360 15.832 38.268 7.586 1.00 0.00 H new ATOM 0 HA GLU A 360 17.809 39.083 9.423 1.00 0.00 H new ATOM 0 HB2 GLU A 360 15.807 36.784 9.661 1.00 0.00 H new ATOM 0 HB3 GLU A 360 16.554 37.658 10.984 1.00 0.00 H new ATOM 0 HG2 GLU A 360 14.506 38.753 9.009 1.00 0.00 H new ATOM 0 HG3 GLU A 360 14.237 38.392 10.702 1.00 0.00 H new ATOM 862 N PRO A 361 19.567 37.251 9.733 1.00 0.00 N ATOM 863 CA PRO A 361 20.615 36.200 9.869 1.00 0.00 C ATOM 864 C PRO A 361 20.159 35.042 10.801 1.00 0.00 C ATOM 865 O PRO A 361 20.814 33.998 10.882 1.00 0.00 O ATOM 866 CB PRO A 361 21.804 36.989 10.471 1.00 0.00 C ATOM 867 CG PRO A 361 21.158 38.081 11.268 1.00 0.00 C ATOM 868 CD PRO A 361 19.938 38.494 10.474 1.00 0.00 C ATOM 0 HA PRO A 361 20.855 35.707 8.927 1.00 0.00 H new ATOM 0 HB2 PRO A 361 22.426 36.352 11.100 1.00 0.00 H new ATOM 0 HB3 PRO A 361 22.449 37.394 9.691 1.00 0.00 H new ATOM 0 HG2 PRO A 361 20.879 37.729 12.261 1.00 0.00 H new ATOM 0 HG3 PRO A 361 21.839 38.921 11.407 1.00 0.00 H new ATOM 0 HD2 PRO A 361 19.130 38.830 11.125 1.00 0.00 H new ATOM 0 HD3 PRO A 361 20.161 39.316 9.793 1.00 0.00 H new ATOM 876 N GLU A 362 19.048 35.275 11.516 1.00 0.00 N ATOM 877 CA GLU A 362 18.391 34.301 12.404 1.00 0.00 C ATOM 878 C GLU A 362 16.909 34.700 12.495 1.00 0.00 C ATOM 879 O GLU A 362 16.596 35.888 12.690 1.00 0.00 O ATOM 880 CB GLU A 362 19.070 34.298 13.807 1.00 0.00 C ATOM 881 CG GLU A 362 19.171 35.690 14.473 1.00 0.00 C ATOM 882 CD GLU A 362 20.028 35.697 15.747 1.00 0.00 C ATOM 883 OE1 GLU A 362 19.471 35.759 16.862 1.00 0.00 O ATOM 884 OE2 GLU A 362 21.269 35.628 15.633 1.00 0.00 O ATOM 0 H GLU A 362 18.566 36.174 11.492 1.00 0.00 H new ATOM 0 HA GLU A 362 18.482 33.288 12.011 1.00 0.00 H new ATOM 0 HB2 GLU A 362 18.511 33.634 14.466 1.00 0.00 H new ATOM 0 HB3 GLU A 362 20.073 33.882 13.711 1.00 0.00 H new ATOM 0 HG2 GLU A 362 19.591 36.397 13.758 1.00 0.00 H new ATOM 0 HG3 GLU A 362 18.168 36.041 14.717 1.00 0.00 H new ATOM 891 N TRP A 363 15.996 33.735 12.312 1.00 0.00 N ATOM 892 CA TRP A 363 14.551 34.015 12.280 1.00 0.00 C ATOM 893 C TRP A 363 13.832 33.302 13.429 1.00 0.00 C ATOM 894 O TRP A 363 14.011 32.097 13.661 1.00 0.00 O ATOM 895 CB TRP A 363 13.915 33.619 10.919 1.00 0.00 C ATOM 896 CG TRP A 363 12.458 34.041 10.791 1.00 0.00 C ATOM 897 CD1 TRP A 363 11.994 35.271 10.410 1.00 0.00 C ATOM 898 CD2 TRP A 363 11.287 33.251 11.075 1.00 0.00 C ATOM 899 NE1 TRP A 363 10.623 35.285 10.425 1.00 0.00 N ATOM 900 CE2 TRP A 363 10.166 34.067 10.838 1.00 0.00 C ATOM 901 CE3 TRP A 363 11.077 31.938 11.517 1.00 0.00 C ATOM 902 CZ2 TRP A 363 8.864 33.612 11.009 1.00 0.00 C ATOM 903 CZ3 TRP A 363 9.782 31.491 11.691 1.00 0.00 C ATOM 904 CH2 TRP A 363 8.690 32.326 11.442 1.00 0.00 C ATOM 0 H TRP A 363 16.232 32.751 12.184 1.00 0.00 H new ATOM 0 HA TRP A 363 14.430 35.091 12.403 1.00 0.00 H new ATOM 0 HB2 TRP A 363 14.490 34.072 10.111 1.00 0.00 H new ATOM 0 HB3 TRP A 363 13.986 32.539 10.793 1.00 0.00 H new ATOM 0 HD1 TRP A 363 12.618 36.109 10.137 1.00 0.00 H new ATOM 0 HE1 TRP A 363 10.037 36.080 10.168 1.00 0.00 H new ATOM 0 HE3 TRP A 363 11.914 31.286 11.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 363 8.018 34.252 10.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 363 9.610 30.478 12.025 1.00 0.00 H new ATOM 0 HH2 TRP A 363 7.689 31.949 11.594 1.00 0.00 H new ATOM 915 N TYR A 364 12.997 34.070 14.136 1.00 0.00 N ATOM 916 CA TYR A 364 12.093 33.566 15.165 1.00 0.00 C ATOM 917 C TYR A 364 10.664 33.993 14.788 1.00 0.00 C ATOM 918 O TYR A 364 10.474 35.014 14.112 1.00 0.00 O ATOM 919 CB TYR A 364 12.504 34.103 16.562 1.00 0.00 C ATOM 920 CG TYR A 364 13.991 33.874 16.891 1.00 0.00 C ATOM 921 CD1 TYR A 364 14.466 32.610 17.250 1.00 0.00 C ATOM 922 CD2 TYR A 364 14.921 34.915 16.806 1.00 0.00 C ATOM 923 CE1 TYR A 364 15.806 32.396 17.508 1.00 0.00 C ATOM 924 CE2 TYR A 364 16.257 34.701 17.066 1.00 0.00 C ATOM 925 CZ TYR A 364 16.695 33.442 17.419 1.00 0.00 C ATOM 926 OH TYR A 364 18.030 33.227 17.684 1.00 0.00 O ATOM 0 H TYR A 364 12.932 35.079 14.003 1.00 0.00 H new ATOM 0 HA TYR A 364 12.143 32.479 15.221 1.00 0.00 H new ATOM 0 HB2 TYR A 364 12.289 35.170 16.611 1.00 0.00 H new ATOM 0 HB3 TYR A 364 11.892 33.619 17.324 1.00 0.00 H new ATOM 0 HD1 TYR A 364 13.773 31.785 17.327 1.00 0.00 H new ATOM 0 HD2 TYR A 364 14.586 35.904 16.532 1.00 0.00 H new ATOM 0 HE1 TYR A 364 16.155 31.410 17.779 1.00 0.00 H new ATOM 0 HE2 TYR A 364 16.960 35.518 16.993 1.00 0.00 H new ATOM 0 HH TYR A 364 18.547 34.016 17.418 1.00 0.00 H new ATOM 936 N CYS A 365 9.665 33.208 15.213 1.00 0.00 N ATOM 937 CA CYS A 365 8.254 33.424 14.820 1.00 0.00 C ATOM 938 C CYS A 365 7.663 34.678 15.497 1.00 0.00 C ATOM 939 O CYS A 365 8.168 35.081 16.550 1.00 0.00 O ATOM 940 CB CYS A 365 7.421 32.184 15.184 1.00 0.00 C ATOM 941 SG CYS A 365 7.272 31.865 16.967 1.00 0.00 S ATOM 0 H CYS A 365 9.803 32.410 15.834 1.00 0.00 H new ATOM 0 HA CYS A 365 8.222 33.584 13.742 1.00 0.00 H new ATOM 0 HB2 CYS A 365 6.421 32.299 14.765 1.00 0.00 H new ATOM 0 HB3 CYS A 365 7.868 31.311 14.709 1.00 0.00 H new ATOM 0 HG CYS A 365 8.370 32.222 17.565 1.00 0.00 H new ATOM 946 N PRO A 366 6.599 35.325 14.886 1.00 0.00 N ATOM 947 CA PRO A 366 5.834 36.427 15.529 1.00 0.00 C ATOM 948 C PRO A 366 5.508 36.150 17.014 1.00 0.00 C ATOM 949 O PRO A 366 5.732 37.007 17.865 1.00 0.00 O ATOM 950 CB PRO A 366 4.544 36.485 14.678 1.00 0.00 C ATOM 951 CG PRO A 366 4.988 36.091 13.303 1.00 0.00 C ATOM 952 CD PRO A 366 6.107 35.079 13.496 1.00 0.00 C ATOM 0 HA PRO A 366 6.396 37.361 15.552 1.00 0.00 H new ATOM 0 HB2 PRO A 366 3.784 35.804 15.061 1.00 0.00 H new ATOM 0 HB3 PRO A 366 4.108 37.484 14.684 1.00 0.00 H new ATOM 0 HG2 PRO A 366 4.164 35.658 12.736 1.00 0.00 H new ATOM 0 HG3 PRO A 366 5.339 36.958 12.743 1.00 0.00 H new ATOM 0 HD2 PRO A 366 5.743 34.058 13.379 1.00 0.00 H new ATOM 0 HD3 PRO A 366 6.901 35.221 12.763 1.00 0.00 H new ATOM 960 N SER A 367 5.058 34.907 17.300 1.00 0.00 N ATOM 961 CA SER A 367 4.655 34.459 18.659 1.00 0.00 C ATOM 962 C SER A 367 5.799 34.606 19.702 1.00 0.00 C ATOM 963 O SER A 367 5.531 34.778 20.898 1.00 0.00 O ATOM 964 CB SER A 367 4.157 32.989 18.599 1.00 0.00 C ATOM 965 OG SER A 367 3.645 32.534 19.848 1.00 0.00 O ATOM 0 H SER A 367 4.963 34.179 16.592 1.00 0.00 H new ATOM 0 HA SER A 367 3.845 35.109 18.992 1.00 0.00 H new ATOM 0 HB2 SER A 367 3.381 32.903 17.839 1.00 0.00 H new ATOM 0 HB3 SER A 367 4.979 32.343 18.290 1.00 0.00 H new ATOM 0 HG SER A 367 3.343 31.606 19.759 1.00 0.00 H new ATOM 971 N CYS A 368 7.069 34.534 19.239 1.00 0.00 N ATOM 972 CA CYS A 368 8.259 34.725 20.107 1.00 0.00 C ATOM 973 C CYS A 368 8.371 36.183 20.609 1.00 0.00 C ATOM 974 O CYS A 368 8.711 36.409 21.781 1.00 0.00 O ATOM 975 CB CYS A 368 9.563 34.286 19.376 1.00 0.00 C ATOM 976 SG CYS A 368 9.992 32.527 19.594 1.00 0.00 S ATOM 0 H CYS A 368 7.298 34.344 18.263 1.00 0.00 H new ATOM 0 HA CYS A 368 8.129 34.086 20.981 1.00 0.00 H new ATOM 0 HB2 CYS A 368 9.455 34.492 18.311 1.00 0.00 H new ATOM 0 HB3 CYS A 368 10.391 34.897 19.737 1.00 0.00 H new ATOM 0 HG CYS A 368 10.264 32.000 18.437 1.00 0.00 H new