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 -137:sc= 0.198 USER MOD Set 2.2: A 341 CYS SG : rot 140:sc= 0.355 USER MOD Set 2.3: A 365 CYS SG : rot -35:sc= -1.93! USER MOD Set 2.4: A 368 CYS SG : rot 118:sc= -2.23! USER MOD Set 3.1: A 323 CYS SG : rot 20:sc= 0.797 USER MOD Set 3.2: A 326 CYS SG : rot -61:sc= 0.376 USER MOD Set 3.3: A 346 HIS : no HD1:sc= 0.705 K(o=-0.63,f=-5.1!) USER MOD Set 3.4: A 349 CYS SG : rot 166:sc= -2.5! USER MOD Single : A 324 HIS : no HE2:sc= 0.714 K(o=0.71,f=-2.4!) USER MOD Single : A 334 LYS NZ :NH3+ -172:sc= 0.17 (180deg=0.149) USER MOD Single : A 335 GLN : amide:sc= -2.39! C(o=-2.4!,f=-3.8!) USER MOD Single : A 343 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 348 TYR OH : rot 180:sc= -0.277 USER MOD Single : A 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 364 TYR OH : rot 176:sc= 0.676 USER MOD Single : A 367 SER OG : rot 180:sc= 0.0254 USER MOD ----------------------------------------------------------------- ATOM 285 N ALA A 322 6.884 20.241 9.716 1.00 0.00 N ATOM 286 CA ALA A 322 5.936 20.794 8.754 1.00 0.00 C ATOM 287 C ALA A 322 5.477 22.166 9.263 1.00 0.00 C ATOM 288 O ALA A 322 5.842 22.581 10.377 1.00 0.00 O ATOM 289 CB ALA A 322 4.734 19.841 8.597 1.00 0.00 C ATOM 0 HA ALA A 322 6.407 20.906 7.778 1.00 0.00 H new ATOM 0 HB1 ALA A 322 4.030 20.259 7.878 1.00 0.00 H new ATOM 0 HB2 ALA A 322 5.083 18.871 8.242 1.00 0.00 H new ATOM 0 HB3 ALA A 322 4.239 19.718 9.560 1.00 0.00 H new ATOM 295 N CYS A 323 4.660 22.853 8.467 1.00 0.00 N ATOM 296 CA CYS A 323 4.035 24.111 8.884 1.00 0.00 C ATOM 297 C CYS A 323 2.862 23.808 9.815 1.00 0.00 C ATOM 298 O CYS A 323 1.800 23.374 9.358 1.00 0.00 O ATOM 299 CB CYS A 323 3.600 24.942 7.673 1.00 0.00 C ATOM 300 SG CYS A 323 2.582 26.382 8.064 1.00 0.00 S ATOM 0 H CYS A 323 4.413 22.558 7.522 1.00 0.00 H new ATOM 0 HA CYS A 323 4.765 24.711 9.428 1.00 0.00 H new ATOM 0 HB2 CYS A 323 4.491 25.278 7.143 1.00 0.00 H new ATOM 0 HB3 CYS A 323 3.046 24.299 6.989 1.00 0.00 H new ATOM 0 HG CYS A 323 2.741 26.699 9.315 1.00 0.00 H new ATOM 305 N HIS A 324 3.088 24.058 11.117 1.00 0.00 N ATOM 306 CA HIS A 324 2.209 23.635 12.215 1.00 0.00 C ATOM 307 C HIS A 324 0.805 24.258 12.082 1.00 0.00 C ATOM 308 O HIS A 324 -0.204 23.602 12.358 1.00 0.00 O ATOM 309 CB HIS A 324 2.882 24.043 13.556 1.00 0.00 C ATOM 310 CG HIS A 324 2.263 23.465 14.810 1.00 0.00 C ATOM 311 ND1 HIS A 324 2.922 22.594 15.649 1.00 0.00 N ATOM 312 CD2 HIS A 324 1.046 23.681 15.390 1.00 0.00 C ATOM 313 CE1 HIS A 324 2.112 22.319 16.678 1.00 0.00 C ATOM 314 NE2 HIS A 324 0.965 22.951 16.567 1.00 0.00 N ATOM 0 H HIS A 324 3.908 24.572 11.440 1.00 0.00 H new ATOM 0 HA HIS A 324 2.072 22.554 12.183 1.00 0.00 H new ATOM 0 HB2 HIS A 324 3.929 23.744 13.520 1.00 0.00 H new ATOM 0 HB3 HIS A 324 2.864 25.130 13.633 1.00 0.00 H new ATOM 0 HD1 HIS A 324 3.862 22.224 15.510 1.00 0.00 H new ATOM 0 HD2 HIS A 324 0.269 24.319 14.995 1.00 0.00 H new ATOM 0 HE1 HIS A 324 2.368 21.661 17.496 1.00 0.00 H new ATOM 322 N VAL A 325 0.777 25.515 11.609 1.00 0.00 N ATOM 323 CA VAL A 325 -0.441 26.340 11.552 1.00 0.00 C ATOM 324 C VAL A 325 -1.536 25.698 10.666 1.00 0.00 C ATOM 325 O VAL A 325 -2.689 25.590 11.083 1.00 0.00 O ATOM 326 CB VAL A 325 -0.108 27.796 11.052 1.00 0.00 C ATOM 327 CG1 VAL A 325 -1.369 28.694 10.974 1.00 0.00 C ATOM 328 CG2 VAL A 325 0.965 28.454 11.951 1.00 0.00 C ATOM 0 H VAL A 325 1.606 25.991 11.253 1.00 0.00 H new ATOM 0 HA VAL A 325 -0.836 26.400 12.566 1.00 0.00 H new ATOM 0 HB VAL A 325 0.287 27.700 10.041 1.00 0.00 H new ATOM 0 HG11 VAL A 325 -1.087 29.687 10.624 1.00 0.00 H new ATOM 0 HG12 VAL A 325 -2.086 28.255 10.280 1.00 0.00 H new ATOM 0 HG13 VAL A 325 -1.822 28.772 11.962 1.00 0.00 H new ATOM 0 HG21 VAL A 325 1.179 29.459 11.586 1.00 0.00 H new ATOM 0 HG22 VAL A 325 0.597 28.510 12.975 1.00 0.00 H new ATOM 0 HG23 VAL A 325 1.877 27.857 11.926 1.00 0.00 H new ATOM 338 N CYS A 326 -1.164 25.256 9.453 1.00 0.00 N ATOM 339 CA CYS A 326 -2.122 24.630 8.502 1.00 0.00 C ATOM 340 C CYS A 326 -1.875 23.110 8.369 1.00 0.00 C ATOM 341 O CYS A 326 -2.528 22.443 7.554 1.00 0.00 O ATOM 342 CB CYS A 326 -2.038 25.328 7.122 1.00 0.00 C ATOM 343 SG CYS A 326 -0.461 25.099 6.239 1.00 0.00 S ATOM 0 H CYS A 326 -0.209 25.317 9.100 1.00 0.00 H new ATOM 0 HA CYS A 326 -3.129 24.761 8.899 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -2.847 24.955 6.493 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -2.208 26.396 7.261 1.00 0.00 H new ATOM 0 HG CYS A 326 0.509 25.595 6.948 1.00 0.00 H new ATOM 348 N GLY A 327 -0.941 22.578 9.196 1.00 0.00 N ATOM 349 CA GLY A 327 -0.622 21.137 9.241 1.00 0.00 C ATOM 350 C GLY A 327 -0.162 20.551 7.903 1.00 0.00 C ATOM 351 O GLY A 327 -0.575 19.443 7.532 1.00 0.00 O ATOM 0 H GLY A 327 -0.391 23.138 9.847 1.00 0.00 H new ATOM 0 HA2 GLY A 327 0.159 20.973 9.984 1.00 0.00 H new ATOM 0 HA3 GLY A 327 -1.503 20.592 9.579 1.00 0.00 H new ATOM 355 N GLY A 328 0.704 21.296 7.187 1.00 0.00 N ATOM 356 CA GLY A 328 1.150 20.909 5.837 1.00 0.00 C ATOM 357 C GLY A 328 2.610 21.257 5.586 1.00 0.00 C ATOM 358 O GLY A 328 3.076 22.308 6.024 1.00 0.00 O ATOM 0 H GLY A 328 1.108 22.170 7.523 1.00 0.00 H new ATOM 0 HA2 GLY A 328 1.007 19.837 5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 328 0.528 21.408 5.095 1.00 0.00 H new ATOM 362 N ARG A 329 3.332 20.383 4.851 1.00 0.00 N ATOM 363 CA ARG A 329 4.790 20.540 4.602 1.00 0.00 C ATOM 364 C ARG A 329 5.059 20.967 3.130 1.00 0.00 C ATOM 365 O ARG A 329 6.151 20.775 2.585 1.00 0.00 O ATOM 366 CB ARG A 329 5.519 19.219 4.968 1.00 0.00 C ATOM 367 CG ARG A 329 7.050 19.347 5.168 1.00 0.00 C ATOM 368 CD ARG A 329 7.715 17.983 5.395 1.00 0.00 C ATOM 369 NE ARG A 329 7.423 17.063 4.280 1.00 0.00 N ATOM 370 CZ ARG A 329 7.598 15.736 4.291 1.00 0.00 C ATOM 371 NH1 ARG A 329 8.055 15.116 5.369 1.00 0.00 N ATOM 372 NH2 ARG A 329 7.309 15.032 3.218 1.00 0.00 N ATOM 0 H ARG A 329 2.929 19.554 4.415 1.00 0.00 H new ATOM 0 HA ARG A 329 5.184 21.335 5.235 1.00 0.00 H new ATOM 0 HB2 ARG A 329 5.081 18.822 5.884 1.00 0.00 H new ATOM 0 HB3 ARG A 329 5.331 18.488 4.181 1.00 0.00 H new ATOM 0 HG2 ARG A 329 7.491 19.825 4.293 1.00 0.00 H new ATOM 0 HG3 ARG A 329 7.251 19.995 6.021 1.00 0.00 H new ATOM 0 HD2 ARG A 329 8.793 18.111 5.493 1.00 0.00 H new ATOM 0 HD3 ARG A 329 7.359 17.552 6.331 1.00 0.00 H new ATOM 0 HE ARG A 329 7.054 17.475 3.423 1.00 0.00 H new ATOM 0 HH11 ARG A 329 8.280 15.651 6.208 1.00 0.00 H new ATOM 0 HH12 ARG A 329 8.182 14.104 5.360 1.00 0.00 H new ATOM 0 HH21 ARG A 329 6.953 15.498 2.383 1.00 0.00 H new ATOM 0 HH22 ARG A 329 7.441 14.021 3.221 1.00 0.00 H new ATOM 386 N GLU A 330 4.048 21.608 2.519 1.00 0.00 N ATOM 387 CA GLU A 330 4.113 22.077 1.117 1.00 0.00 C ATOM 388 C GLU A 330 4.832 23.436 1.027 1.00 0.00 C ATOM 389 O GLU A 330 4.972 24.128 2.039 1.00 0.00 O ATOM 390 CB GLU A 330 2.683 22.186 0.540 1.00 0.00 C ATOM 391 CG GLU A 330 1.843 20.906 0.706 1.00 0.00 C ATOM 392 CD GLU A 330 0.440 21.018 0.083 1.00 0.00 C ATOM 393 OE1 GLU A 330 0.195 20.424 -0.992 1.00 0.00 O ATOM 394 OE2 GLU A 330 -0.425 21.705 0.671 1.00 0.00 O ATOM 0 H GLU A 330 3.162 21.817 2.979 1.00 0.00 H new ATOM 0 HA GLU A 330 4.683 21.355 0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 330 2.167 23.013 1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 330 2.747 22.431 -0.520 1.00 0.00 H new ATOM 0 HG2 GLU A 330 2.372 20.070 0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 330 1.745 20.678 1.767 1.00 0.00 H new ATOM 401 N ALA A 331 5.267 23.796 -0.199 1.00 0.00 N ATOM 402 CA ALA A 331 5.965 25.067 -0.499 1.00 0.00 C ATOM 403 C ALA A 331 7.181 25.294 0.431 1.00 0.00 C ATOM 404 O ALA A 331 7.105 26.094 1.379 1.00 0.00 O ATOM 405 CB ALA A 331 4.987 26.254 -0.476 1.00 0.00 C ATOM 0 H ALA A 331 5.142 23.205 -1.021 1.00 0.00 H new ATOM 0 HA ALA A 331 6.363 24.993 -1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 331 5.527 27.174 -0.700 1.00 0.00 H new ATOM 0 HB2 ALA A 331 4.209 26.099 -1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 331 4.532 26.331 0.511 1.00 0.00 H new ATOM 411 N PRO A 332 8.319 24.572 0.179 1.00 0.00 N ATOM 412 CA PRO A 332 9.495 24.587 1.089 1.00 0.00 C ATOM 413 C PRO A 332 10.191 25.964 1.129 1.00 0.00 C ATOM 414 O PRO A 332 10.754 26.349 2.155 1.00 0.00 O ATOM 415 CB PRO A 332 10.417 23.483 0.502 1.00 0.00 C ATOM 416 CG PRO A 332 10.048 23.422 -0.954 1.00 0.00 C ATOM 417 CD PRO A 332 8.560 23.700 -1.012 1.00 0.00 C ATOM 0 HA PRO A 332 9.222 24.402 2.128 1.00 0.00 H new ATOM 0 HB2 PRO A 332 11.470 23.733 0.635 1.00 0.00 H new ATOM 0 HB3 PRO A 332 10.252 22.525 0.994 1.00 0.00 H new ATOM 0 HG2 PRO A 332 10.607 24.159 -1.531 1.00 0.00 H new ATOM 0 HG3 PRO A 332 10.280 22.444 -1.376 1.00 0.00 H new ATOM 0 HD2 PRO A 332 8.282 24.201 -1.939 1.00 0.00 H new ATOM 0 HD3 PRO A 332 7.978 22.780 -0.960 1.00 0.00 H new ATOM 425 N GLU A 333 10.113 26.699 -0.001 1.00 0.00 N ATOM 426 CA GLU A 333 10.694 28.050 -0.145 1.00 0.00 C ATOM 427 C GLU A 333 9.871 29.109 0.620 1.00 0.00 C ATOM 428 O GLU A 333 10.397 30.168 0.978 1.00 0.00 O ATOM 429 CB GLU A 333 10.787 28.428 -1.648 1.00 0.00 C ATOM 430 CG GLU A 333 9.428 28.441 -2.387 1.00 0.00 C ATOM 431 CD GLU A 333 9.545 28.883 -3.850 1.00 0.00 C ATOM 432 OE1 GLU A 333 9.820 28.032 -4.723 1.00 0.00 O ATOM 433 OE2 GLU A 333 9.367 30.090 -4.137 1.00 0.00 O ATOM 0 H GLU A 333 9.642 26.369 -0.844 1.00 0.00 H new ATOM 0 HA GLU A 333 11.694 28.033 0.288 1.00 0.00 H new ATOM 0 HB2 GLU A 333 11.244 29.414 -1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 333 11.452 27.723 -2.147 1.00 0.00 H new ATOM 0 HG2 GLU A 333 8.990 27.443 -2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 333 8.743 29.110 -1.865 1.00 0.00 H new ATOM 440 N LYS A 334 8.573 28.822 0.850 1.00 0.00 N ATOM 441 CA LYS A 334 7.668 29.727 1.586 1.00 0.00 C ATOM 442 C LYS A 334 7.643 29.393 3.089 1.00 0.00 C ATOM 443 O LYS A 334 7.135 30.187 3.885 1.00 0.00 O ATOM 444 CB LYS A 334 6.232 29.673 0.996 1.00 0.00 C ATOM 445 CG LYS A 334 6.126 30.141 -0.472 1.00 0.00 C ATOM 446 CD LYS A 334 6.611 31.599 -0.668 1.00 0.00 C ATOM 447 CE LYS A 334 6.347 32.147 -2.074 1.00 0.00 C ATOM 448 NZ LYS A 334 6.996 31.332 -3.127 1.00 0.00 N ATOM 0 H LYS A 334 8.126 27.962 0.533 1.00 0.00 H new ATOM 0 HA LYS A 334 8.052 30.741 1.471 1.00 0.00 H new ATOM 0 HB2 LYS A 334 5.862 28.650 1.066 1.00 0.00 H new ATOM 0 HB3 LYS A 334 5.577 30.291 1.610 1.00 0.00 H new ATOM 0 HG2 LYS A 334 6.716 29.478 -1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 334 5.090 30.059 -0.802 1.00 0.00 H new ATOM 0 HD2 LYS A 334 6.116 32.239 0.062 1.00 0.00 H new ATOM 0 HD3 LYS A 334 7.680 31.649 -0.462 1.00 0.00 H new ATOM 0 HE2 LYS A 334 5.272 32.179 -2.253 1.00 0.00 H new ATOM 0 HE3 LYS A 334 6.711 33.173 -2.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 6.905 31.813 -4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 8.003 31.209 -2.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 6.536 30.400 -3.178 1.00 0.00 H new ATOM 462 N GLN A 335 8.172 28.213 3.473 1.00 0.00 N ATOM 463 CA GLN A 335 8.263 27.819 4.890 1.00 0.00 C ATOM 464 C GLN A 335 9.567 28.326 5.520 1.00 0.00 C ATOM 465 O GLN A 335 10.618 28.347 4.883 1.00 0.00 O ATOM 466 CB GLN A 335 8.120 26.286 5.079 1.00 0.00 C ATOM 467 CG GLN A 335 6.712 25.752 4.733 1.00 0.00 C ATOM 468 CD GLN A 335 6.340 24.446 5.427 1.00 0.00 C ATOM 469 OE1 GLN A 335 6.823 24.135 6.505 1.00 0.00 O ATOM 470 NE2 GLN A 335 5.404 23.726 4.859 1.00 0.00 N ATOM 0 H GLN A 335 8.541 27.520 2.822 1.00 0.00 H new ATOM 0 HA GLN A 335 7.426 28.289 5.406 1.00 0.00 H new ATOM 0 HB2 GLN A 335 8.856 25.780 4.453 1.00 0.00 H new ATOM 0 HB3 GLN A 335 8.352 26.032 6.113 1.00 0.00 H new ATOM 0 HG2 GLN A 335 5.975 26.511 4.996 1.00 0.00 H new ATOM 0 HG3 GLN A 335 6.648 25.606 3.655 1.00 0.00 H new ATOM 0 HE21 GLN A 335 5.019 24.010 3.958 1.00 0.00 H new ATOM 0 HE22 GLN A 335 5.061 22.882 5.318 1.00 0.00 H new ATOM 479 N LEU A 336 9.447 28.742 6.781 1.00 0.00 N ATOM 480 CA LEU A 336 10.534 29.284 7.591 1.00 0.00 C ATOM 481 C LEU A 336 10.481 28.613 8.967 1.00 0.00 C ATOM 482 O LEU A 336 9.457 28.668 9.663 1.00 0.00 O ATOM 483 CB LEU A 336 10.402 30.828 7.720 1.00 0.00 C ATOM 484 CG LEU A 336 10.709 31.653 6.433 1.00 0.00 C ATOM 485 CD1 LEU A 336 10.465 33.161 6.653 1.00 0.00 C ATOM 486 CD2 LEU A 336 12.157 31.401 5.953 1.00 0.00 C ATOM 0 H LEU A 336 8.559 28.709 7.282 1.00 0.00 H new ATOM 0 HA LEU A 336 11.494 29.080 7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 336 9.387 31.060 8.042 1.00 0.00 H new ATOM 0 HB3 LEU A 336 11.072 31.165 8.511 1.00 0.00 H new ATOM 0 HG LEU A 336 10.022 31.316 5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 336 10.689 33.704 5.735 1.00 0.00 H new ATOM 0 HD12 LEU A 336 9.422 33.325 6.926 1.00 0.00 H new ATOM 0 HD13 LEU A 336 11.111 33.521 7.454 1.00 0.00 H new ATOM 0 HD21 LEU A 336 12.349 31.987 5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 336 12.856 31.697 6.735 1.00 0.00 H new ATOM 0 HD23 LEU A 336 12.288 30.342 5.731 1.00 0.00 H new ATOM 498 N LEU A 337 11.593 27.979 9.338 1.00 0.00 N ATOM 499 CA LEU A 337 11.718 27.226 10.591 1.00 0.00 C ATOM 500 C LEU A 337 12.194 28.165 11.709 1.00 0.00 C ATOM 501 O LEU A 337 13.306 28.695 11.653 1.00 0.00 O ATOM 502 CB LEU A 337 12.700 26.018 10.426 1.00 0.00 C ATOM 503 CG LEU A 337 12.194 24.820 9.542 1.00 0.00 C ATOM 504 CD1 LEU A 337 12.078 25.194 8.040 1.00 0.00 C ATOM 505 CD2 LEU A 337 13.087 23.569 9.735 1.00 0.00 C ATOM 0 H LEU A 337 12.442 27.972 8.773 1.00 0.00 H new ATOM 0 HA LEU A 337 10.741 26.821 10.856 1.00 0.00 H new ATOM 0 HB2 LEU A 337 13.630 26.390 9.996 1.00 0.00 H new ATOM 0 HB3 LEU A 337 12.938 25.634 11.418 1.00 0.00 H new ATOM 0 HG LEU A 337 11.187 24.581 9.885 1.00 0.00 H new ATOM 0 HD11 LEU A 337 11.725 24.331 7.476 1.00 0.00 H new ATOM 0 HD12 LEU A 337 11.373 26.017 7.923 1.00 0.00 H new ATOM 0 HD13 LEU A 337 13.055 25.498 7.664 1.00 0.00 H new ATOM 0 HD21 LEU A 337 12.714 22.756 9.112 1.00 0.00 H new ATOM 0 HD22 LEU A 337 14.112 23.806 9.448 1.00 0.00 H new ATOM 0 HD23 LEU A 337 13.065 23.264 10.781 1.00 0.00 H new ATOM 517 N CYS A 338 11.313 28.406 12.693 1.00 0.00 N ATOM 518 CA CYS A 338 11.648 29.199 13.884 1.00 0.00 C ATOM 519 C CYS A 338 12.587 28.406 14.795 1.00 0.00 C ATOM 520 O CYS A 338 12.176 27.385 15.352 1.00 0.00 O ATOM 521 CB CYS A 338 10.380 29.576 14.663 1.00 0.00 C ATOM 522 SG CYS A 338 10.705 30.605 16.134 1.00 0.00 S ATOM 0 H CYS A 338 10.354 28.058 12.685 1.00 0.00 H new ATOM 0 HA CYS A 338 12.143 30.113 13.555 1.00 0.00 H new ATOM 0 HB2 CYS A 338 9.701 30.111 13.999 1.00 0.00 H new ATOM 0 HB3 CYS A 338 9.870 28.664 14.973 1.00 0.00 H new ATOM 0 HG CYS A 338 9.976 30.187 17.126 1.00 0.00 H new ATOM 527 N ASP A 339 13.828 28.900 14.941 1.00 0.00 N ATOM 528 CA ASP A 339 14.878 28.254 15.760 1.00 0.00 C ATOM 529 C ASP A 339 14.419 28.044 17.229 1.00 0.00 C ATOM 530 O ASP A 339 14.681 26.999 17.829 1.00 0.00 O ATOM 531 CB ASP A 339 16.168 29.112 15.705 1.00 0.00 C ATOM 532 CG ASP A 339 17.364 28.475 16.439 1.00 0.00 C ATOM 533 OD1 ASP A 339 17.619 28.830 17.609 1.00 0.00 O ATOM 534 OD2 ASP A 339 18.065 27.629 15.837 1.00 0.00 O ATOM 0 H ASP A 339 14.137 29.763 14.493 1.00 0.00 H new ATOM 0 HA ASP A 339 15.078 27.265 15.347 1.00 0.00 H new ATOM 0 HB2 ASP A 339 16.439 29.279 14.663 1.00 0.00 H new ATOM 0 HB3 ASP A 339 15.963 30.090 16.142 1.00 0.00 H new ATOM 539 N GLU A 340 13.713 29.052 17.767 1.00 0.00 N ATOM 540 CA GLU A 340 13.183 29.047 19.149 1.00 0.00 C ATOM 541 C GLU A 340 12.121 27.932 19.372 1.00 0.00 C ATOM 542 O GLU A 340 12.019 27.360 20.459 1.00 0.00 O ATOM 543 CB GLU A 340 12.550 30.432 19.441 1.00 0.00 C ATOM 544 CG GLU A 340 12.045 30.650 20.884 1.00 0.00 C ATOM 545 CD GLU A 340 13.178 30.740 21.919 1.00 0.00 C ATOM 546 OE1 GLU A 340 13.777 31.830 22.054 1.00 0.00 O ATOM 547 OE2 GLU A 340 13.464 29.737 22.605 1.00 0.00 O ATOM 0 H GLU A 340 13.489 29.904 17.253 1.00 0.00 H new ATOM 0 HA GLU A 340 14.010 28.844 19.829 1.00 0.00 H new ATOM 0 HB2 GLU A 340 13.287 31.202 19.214 1.00 0.00 H new ATOM 0 HB3 GLU A 340 11.714 30.580 18.757 1.00 0.00 H new ATOM 0 HG2 GLU A 340 11.456 31.566 20.920 1.00 0.00 H new ATOM 0 HG3 GLU A 340 11.379 29.831 21.156 1.00 0.00 H new ATOM 554 N CYS A 341 11.320 27.639 18.334 1.00 0.00 N ATOM 555 CA CYS A 341 10.151 26.734 18.454 1.00 0.00 C ATOM 556 C CYS A 341 10.409 25.348 17.837 1.00 0.00 C ATOM 557 O CYS A 341 9.663 24.403 18.122 1.00 0.00 O ATOM 558 CB CYS A 341 8.912 27.378 17.779 1.00 0.00 C ATOM 559 SG CYS A 341 8.321 28.886 18.600 1.00 0.00 S ATOM 0 H CYS A 341 11.457 28.015 17.396 1.00 0.00 H new ATOM 0 HA CYS A 341 9.969 26.589 19.519 1.00 0.00 H new ATOM 0 HB2 CYS A 341 9.157 27.613 16.743 1.00 0.00 H new ATOM 0 HB3 CYS A 341 8.103 26.648 17.757 1.00 0.00 H new ATOM 0 HG CYS A 341 7.963 29.757 17.703 1.00 0.00 H new ATOM 564 N ASP A 342 11.446 25.250 16.970 1.00 0.00 N ATOM 565 CA ASP A 342 11.717 24.064 16.105 1.00 0.00 C ATOM 566 C ASP A 342 10.524 23.752 15.164 1.00 0.00 C ATOM 567 O ASP A 342 10.445 22.672 14.578 1.00 0.00 O ATOM 568 CB ASP A 342 12.119 22.811 16.956 1.00 0.00 C ATOM 569 CG ASP A 342 13.472 22.984 17.687 1.00 0.00 C ATOM 570 OD1 ASP A 342 14.478 22.360 17.285 1.00 0.00 O ATOM 571 OD2 ASP A 342 13.535 23.764 18.663 1.00 0.00 O ATOM 0 H ASP A 342 12.128 25.998 16.846 1.00 0.00 H new ATOM 0 HA ASP A 342 12.568 24.317 15.473 1.00 0.00 H new ATOM 0 HB2 ASP A 342 11.339 22.612 17.690 1.00 0.00 H new ATOM 0 HB3 ASP A 342 12.173 21.939 16.305 1.00 0.00 H new ATOM 576 N MET A 343 9.633 24.742 14.996 1.00 0.00 N ATOM 577 CA MET A 343 8.411 24.630 14.179 1.00 0.00 C ATOM 578 C MET A 343 8.578 25.422 12.892 1.00 0.00 C ATOM 579 O MET A 343 9.148 26.522 12.904 1.00 0.00 O ATOM 580 CB MET A 343 7.187 25.177 14.953 1.00 0.00 C ATOM 581 CG MET A 343 6.760 24.331 16.147 1.00 0.00 C ATOM 582 SD MET A 343 6.170 22.705 15.653 1.00 0.00 S ATOM 583 CE MET A 343 6.048 21.884 17.235 1.00 0.00 C ATOM 0 H MET A 343 9.742 25.658 15.431 1.00 0.00 H new ATOM 0 HA MET A 343 8.247 23.577 13.949 1.00 0.00 H new ATOM 0 HB2 MET A 343 7.415 26.184 15.301 1.00 0.00 H new ATOM 0 HB3 MET A 343 6.346 25.260 14.264 1.00 0.00 H new ATOM 0 HG2 MET A 343 7.602 24.218 16.829 1.00 0.00 H new ATOM 0 HG3 MET A 343 5.973 24.850 16.695 1.00 0.00 H new ATOM 0 HE1 MET A 343 5.694 20.864 17.089 1.00 0.00 H new ATOM 0 HE2 MET A 343 7.029 21.863 17.711 1.00 0.00 H new ATOM 0 HE3 MET A 343 5.347 22.424 17.872 1.00 0.00 H new ATOM 593 N ALA A 344 8.048 24.871 11.803 1.00 0.00 N ATOM 594 CA ALA A 344 8.056 25.539 10.482 1.00 0.00 C ATOM 595 C ALA A 344 6.741 26.306 10.271 1.00 0.00 C ATOM 596 O ALA A 344 5.701 25.928 10.829 1.00 0.00 O ATOM 597 CB ALA A 344 8.308 24.524 9.358 1.00 0.00 C ATOM 0 H ALA A 344 7.601 23.954 11.799 1.00 0.00 H new ATOM 0 HA ALA A 344 8.874 26.259 10.455 1.00 0.00 H new ATOM 0 HB1 ALA A 344 8.309 25.038 8.397 1.00 0.00 H new ATOM 0 HB2 ALA A 344 9.273 24.042 9.513 1.00 0.00 H new ATOM 0 HB3 ALA A 344 7.521 23.770 9.365 1.00 0.00 H new ATOM 603 N PHE A 345 6.791 27.415 9.505 1.00 0.00 N ATOM 604 CA PHE A 345 5.621 28.290 9.257 1.00 0.00 C ATOM 605 C PHE A 345 5.697 28.877 7.841 1.00 0.00 C ATOM 606 O PHE A 345 6.746 29.376 7.450 1.00 0.00 O ATOM 607 CB PHE A 345 5.575 29.476 10.267 1.00 0.00 C ATOM 608 CG PHE A 345 5.624 29.090 11.743 1.00 0.00 C ATOM 609 CD1 PHE A 345 4.481 28.662 12.404 1.00 0.00 C ATOM 610 CD2 PHE A 345 6.819 29.147 12.464 1.00 0.00 C ATOM 611 CE1 PHE A 345 4.517 28.315 13.742 1.00 0.00 C ATOM 612 CE2 PHE A 345 6.851 28.799 13.802 1.00 0.00 C ATOM 613 CZ PHE A 345 5.703 28.381 14.436 1.00 0.00 C ATOM 0 H PHE A 345 7.642 27.731 9.040 1.00 0.00 H new ATOM 0 HA PHE A 345 4.726 27.679 9.375 1.00 0.00 H new ATOM 0 HB2 PHE A 345 6.412 30.141 10.056 1.00 0.00 H new ATOM 0 HB3 PHE A 345 4.663 30.045 10.089 1.00 0.00 H new ATOM 0 HD1 PHE A 345 3.548 28.599 11.864 1.00 0.00 H new ATOM 0 HD2 PHE A 345 7.726 29.466 11.972 1.00 0.00 H new ATOM 0 HE1 PHE A 345 3.615 27.993 14.242 1.00 0.00 H new ATOM 0 HE2 PHE A 345 7.779 28.855 14.351 1.00 0.00 H new ATOM 0 HZ PHE A 345 5.733 28.104 15.480 1.00 0.00 H new ATOM 623 N HIS A 346 4.581 28.828 7.080 1.00 0.00 N ATOM 624 CA HIS A 346 4.467 29.573 5.804 1.00 0.00 C ATOM 625 C HIS A 346 4.476 31.083 6.070 1.00 0.00 C ATOM 626 O HIS A 346 3.972 31.530 7.106 1.00 0.00 O ATOM 627 CB HIS A 346 3.170 29.220 5.025 1.00 0.00 C ATOM 628 CG HIS A 346 3.176 27.887 4.327 1.00 0.00 C ATOM 629 ND1 HIS A 346 2.246 26.923 4.624 1.00 0.00 N ATOM 630 CD2 HIS A 346 3.965 27.446 3.318 1.00 0.00 C ATOM 631 CE1 HIS A 346 2.491 25.926 3.795 1.00 0.00 C ATOM 632 NE2 HIS A 346 3.519 26.199 2.985 1.00 0.00 N ATOM 0 H HIS A 346 3.752 28.285 7.324 1.00 0.00 H new ATOM 0 HA HIS A 346 5.324 29.283 5.196 1.00 0.00 H new ATOM 0 HB2 HIS A 346 2.332 29.242 5.721 1.00 0.00 H new ATOM 0 HB3 HIS A 346 2.989 29.998 4.283 1.00 0.00 H new ATOM 0 HD2 HIS A 346 4.788 27.978 2.864 1.00 0.00 H new ATOM 0 HE1 HIS A 346 1.930 25.003 3.773 1.00 0.00 H new ATOM 0 HE2 HIS A 346 3.898 25.592 2.258 1.00 0.00 H new ATOM 640 N LEU A 347 5.012 31.834 5.098 1.00 0.00 N ATOM 641 CA LEU A 347 4.955 33.308 5.059 1.00 0.00 C ATOM 642 C LEU A 347 3.510 33.819 5.220 1.00 0.00 C ATOM 643 O LEU A 347 3.258 34.808 5.904 1.00 0.00 O ATOM 644 CB LEU A 347 5.549 33.790 3.715 1.00 0.00 C ATOM 645 CG LEU A 347 7.071 33.511 3.514 1.00 0.00 C ATOM 646 CD1 LEU A 347 7.515 33.834 2.078 1.00 0.00 C ATOM 647 CD2 LEU A 347 7.918 34.282 4.548 1.00 0.00 C ATOM 0 H LEU A 347 5.506 31.431 4.302 1.00 0.00 H new ATOM 0 HA LEU A 347 5.535 33.709 5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 347 5.000 33.313 2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 347 5.380 34.863 3.627 1.00 0.00 H new ATOM 0 HG LEU A 347 7.236 32.446 3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 347 8.580 33.629 1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 347 6.955 33.216 1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 347 7.325 34.886 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 347 8.974 34.069 4.385 1.00 0.00 H new ATOM 0 HD22 LEU A 347 7.742 35.352 4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 347 7.637 33.970 5.554 1.00 0.00 H new ATOM 659 N TYR A 348 2.577 33.079 4.604 1.00 0.00 N ATOM 660 CA TYR A 348 1.140 33.396 4.589 1.00 0.00 C ATOM 661 C TYR A 348 0.473 33.015 5.932 1.00 0.00 C ATOM 662 O TYR A 348 -0.533 33.604 6.324 1.00 0.00 O ATOM 663 CB TYR A 348 0.459 32.626 3.428 1.00 0.00 C ATOM 664 CG TYR A 348 1.189 32.745 2.071 1.00 0.00 C ATOM 665 CD1 TYR A 348 2.186 31.829 1.700 1.00 0.00 C ATOM 666 CD2 TYR A 348 0.882 33.765 1.170 1.00 0.00 C ATOM 667 CE1 TYR A 348 2.835 31.932 0.484 1.00 0.00 C ATOM 668 CE2 TYR A 348 1.533 33.865 -0.042 1.00 0.00 C ATOM 669 CZ TYR A 348 2.502 32.950 -0.381 1.00 0.00 C ATOM 670 OH TYR A 348 3.140 33.056 -1.596 1.00 0.00 O ATOM 0 H TYR A 348 2.804 32.226 4.092 1.00 0.00 H new ATOM 0 HA TYR A 348 1.021 34.470 4.444 1.00 0.00 H new ATOM 0 HB2 TYR A 348 0.389 31.572 3.698 1.00 0.00 H new ATOM 0 HB3 TYR A 348 -0.560 32.994 3.312 1.00 0.00 H new ATOM 0 HD1 TYR A 348 2.451 31.030 2.377 1.00 0.00 H new ATOM 0 HD2 TYR A 348 0.122 34.488 1.426 1.00 0.00 H new ATOM 0 HE1 TYR A 348 3.599 31.218 0.214 1.00 0.00 H new ATOM 0 HE2 TYR A 348 1.281 34.663 -0.725 1.00 0.00 H new ATOM 0 HH TYR A 348 2.786 33.828 -2.085 1.00 0.00 H new ATOM 680 N CYS A 349 1.051 32.009 6.622 1.00 0.00 N ATOM 681 CA CYS A 349 0.506 31.473 7.896 1.00 0.00 C ATOM 682 C CYS A 349 1.046 32.229 9.127 1.00 0.00 C ATOM 683 O CYS A 349 0.734 31.865 10.267 1.00 0.00 O ATOM 684 CB CYS A 349 0.828 29.971 8.009 1.00 0.00 C ATOM 685 SG CYS A 349 0.110 28.949 6.691 1.00 0.00 S ATOM 0 H CYS A 349 1.906 31.544 6.316 1.00 0.00 H new ATOM 0 HA CYS A 349 -0.574 31.618 7.880 1.00 0.00 H new ATOM 0 HB2 CYS A 349 1.910 29.842 8.003 1.00 0.00 H new ATOM 0 HB3 CYS A 349 0.469 29.606 8.971 1.00 0.00 H new ATOM 0 HG CYS A 349 0.673 27.777 6.695 1.00 0.00 H new ATOM 690 N LEU A 350 1.879 33.254 8.886 1.00 0.00 N ATOM 691 CA LEU A 350 2.384 34.157 9.938 1.00 0.00 C ATOM 692 C LEU A 350 1.331 35.235 10.267 1.00 0.00 C ATOM 693 O LEU A 350 0.409 35.470 9.474 1.00 0.00 O ATOM 694 CB LEU A 350 3.712 34.809 9.471 1.00 0.00 C ATOM 695 CG LEU A 350 4.888 33.812 9.230 1.00 0.00 C ATOM 696 CD1 LEU A 350 6.105 34.519 8.607 1.00 0.00 C ATOM 697 CD2 LEU A 350 5.265 33.083 10.543 1.00 0.00 C ATOM 0 H LEU A 350 2.224 33.482 7.954 1.00 0.00 H new ATOM 0 HA LEU A 350 2.575 33.583 10.845 1.00 0.00 H new ATOM 0 HB2 LEU A 350 3.525 35.357 8.547 1.00 0.00 H new ATOM 0 HB3 LEU A 350 4.023 35.540 10.218 1.00 0.00 H new ATOM 0 HG LEU A 350 4.552 33.061 8.515 1.00 0.00 H new ATOM 0 HD11 LEU A 350 6.906 33.796 8.452 1.00 0.00 H new ATOM 0 HD12 LEU A 350 5.821 34.956 7.650 1.00 0.00 H new ATOM 0 HD13 LEU A 350 6.451 35.306 9.277 1.00 0.00 H new ATOM 0 HD21 LEU A 350 6.087 32.393 10.353 1.00 0.00 H new ATOM 0 HD22 LEU A 350 5.571 33.815 11.290 1.00 0.00 H new ATOM 0 HD23 LEU A 350 4.402 32.528 10.911 1.00 0.00 H new ATOM 709 N LYS A 351 1.483 35.889 11.430 1.00 0.00 N ATOM 710 CA LYS A 351 0.565 36.954 11.881 1.00 0.00 C ATOM 711 C LYS A 351 1.389 38.028 12.626 1.00 0.00 C ATOM 712 O LYS A 351 1.715 37.826 13.804 1.00 0.00 O ATOM 713 CB LYS A 351 -0.554 36.354 12.789 1.00 0.00 C ATOM 714 CG LYS A 351 -1.800 37.252 12.959 1.00 0.00 C ATOM 715 CD LYS A 351 -2.586 37.431 11.630 1.00 0.00 C ATOM 716 CE LYS A 351 -3.892 38.232 11.805 1.00 0.00 C ATOM 717 NZ LYS A 351 -3.644 39.632 12.232 1.00 0.00 N ATOM 0 H LYS A 351 2.242 35.697 12.084 1.00 0.00 H new ATOM 0 HA LYS A 351 0.071 37.417 11.026 1.00 0.00 H new ATOM 0 HB2 LYS A 351 -0.867 35.397 12.372 1.00 0.00 H new ATOM 0 HB3 LYS A 351 -0.133 36.150 13.774 1.00 0.00 H new ATOM 0 HG2 LYS A 351 -2.458 36.817 13.712 1.00 0.00 H new ATOM 0 HG3 LYS A 351 -1.492 38.229 13.331 1.00 0.00 H new ATOM 0 HD2 LYS A 351 -1.950 37.938 10.904 1.00 0.00 H new ATOM 0 HD3 LYS A 351 -2.821 36.449 11.218 1.00 0.00 H new ATOM 0 HE2 LYS A 351 -4.443 38.234 10.864 1.00 0.00 H new ATOM 0 HE3 LYS A 351 -4.523 37.736 12.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 -4.552 40.129 12.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 -3.142 39.633 13.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 -3.064 40.116 11.517 1.00 0.00 H new ATOM 731 N PRO A 352 1.787 39.181 11.976 1.00 0.00 N ATOM 732 CA PRO A 352 1.427 39.560 10.574 1.00 0.00 C ATOM 733 C PRO A 352 2.164 38.713 9.498 1.00 0.00 C ATOM 734 O PRO A 352 3.326 38.339 9.705 1.00 0.00 O ATOM 735 CB PRO A 352 1.845 41.070 10.486 1.00 0.00 C ATOM 736 CG PRO A 352 2.164 41.478 11.899 1.00 0.00 C ATOM 737 CD PRO A 352 2.643 40.223 12.586 1.00 0.00 C ATOM 0 HA PRO A 352 0.371 39.383 10.371 1.00 0.00 H new ATOM 0 HB2 PRO A 352 2.709 41.201 9.834 1.00 0.00 H new ATOM 0 HB3 PRO A 352 1.039 41.678 10.074 1.00 0.00 H new ATOM 0 HG2 PRO A 352 2.930 42.253 11.920 1.00 0.00 H new ATOM 0 HG3 PRO A 352 1.285 41.886 12.397 1.00 0.00 H new ATOM 0 HD2 PRO A 352 3.701 40.038 12.403 1.00 0.00 H new ATOM 0 HD3 PRO A 352 2.511 40.276 13.667 1.00 0.00 H new ATOM 745 N PRO A 353 1.492 38.381 8.343 1.00 0.00 N ATOM 746 CA PRO A 353 2.112 37.575 7.266 1.00 0.00 C ATOM 747 C PRO A 353 3.191 38.359 6.492 1.00 0.00 C ATOM 748 O PRO A 353 3.072 39.578 6.294 1.00 0.00 O ATOM 749 CB PRO A 353 0.910 37.206 6.357 1.00 0.00 C ATOM 750 CG PRO A 353 -0.057 38.335 6.547 1.00 0.00 C ATOM 751 CD PRO A 353 0.084 38.749 8.003 1.00 0.00 C ATOM 0 HA PRO A 353 2.640 36.703 7.652 1.00 0.00 H new ATOM 0 HB2 PRO A 353 1.213 37.113 5.314 1.00 0.00 H new ATOM 0 HB3 PRO A 353 0.470 36.252 6.647 1.00 0.00 H new ATOM 0 HG2 PRO A 353 0.173 39.165 5.879 1.00 0.00 H new ATOM 0 HG3 PRO A 353 -1.077 38.020 6.325 1.00 0.00 H new ATOM 0 HD2 PRO A 353 -0.093 39.816 8.134 1.00 0.00 H new ATOM 0 HD3 PRO A 353 -0.631 38.226 8.639 1.00 0.00 H new ATOM 759 N LEU A 354 4.248 37.647 6.078 1.00 0.00 N ATOM 760 CA LEU A 354 5.341 38.212 5.275 1.00 0.00 C ATOM 761 C LEU A 354 5.098 37.912 3.787 1.00 0.00 C ATOM 762 O LEU A 354 4.457 36.911 3.446 1.00 0.00 O ATOM 763 CB LEU A 354 6.704 37.625 5.739 1.00 0.00 C ATOM 764 CG LEU A 354 7.090 37.904 7.230 1.00 0.00 C ATOM 765 CD1 LEU A 354 8.415 37.209 7.612 1.00 0.00 C ATOM 766 CD2 LEU A 354 7.155 39.423 7.528 1.00 0.00 C ATOM 0 H LEU A 354 4.369 36.657 6.292 1.00 0.00 H new ATOM 0 HA LEU A 354 5.370 39.293 5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 354 6.686 36.546 5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 354 7.489 38.027 5.098 1.00 0.00 H new ATOM 0 HG LEU A 354 6.301 37.479 7.850 1.00 0.00 H new ATOM 0 HD11 LEU A 354 8.652 37.425 8.654 1.00 0.00 H new ATOM 0 HD12 LEU A 354 8.313 36.132 7.478 1.00 0.00 H new ATOM 0 HD13 LEU A 354 9.217 37.579 6.974 1.00 0.00 H new ATOM 0 HD21 LEU A 354 7.426 39.578 8.572 1.00 0.00 H new ATOM 0 HD22 LEU A 354 7.904 39.888 6.886 1.00 0.00 H new ATOM 0 HD23 LEU A 354 6.181 39.874 7.335 1.00 0.00 H new ATOM 778 N THR A 355 5.587 38.805 2.921 1.00 0.00 N ATOM 779 CA THR A 355 5.526 38.641 1.458 1.00 0.00 C ATOM 780 C THR A 355 6.626 37.675 0.982 1.00 0.00 C ATOM 781 O THR A 355 6.384 36.786 0.153 1.00 0.00 O ATOM 782 CB THR A 355 5.673 40.026 0.744 1.00 0.00 C ATOM 783 OG1 THR A 355 6.865 40.688 1.206 1.00 0.00 O ATOM 784 CG2 THR A 355 4.457 40.937 0.992 1.00 0.00 C ATOM 0 H THR A 355 6.041 39.670 3.214 1.00 0.00 H new ATOM 0 HA THR A 355 4.555 38.220 1.198 1.00 0.00 H new ATOM 0 HB THR A 355 5.737 39.836 -0.327 1.00 0.00 H new ATOM 0 HG1 THR A 355 6.954 41.554 0.755 1.00 0.00 H new ATOM 0 HG21 THR A 355 4.603 41.887 0.478 1.00 0.00 H new ATOM 0 HG22 THR A 355 3.557 40.454 0.613 1.00 0.00 H new ATOM 0 HG23 THR A 355 4.349 41.117 2.062 1.00 0.00 H new ATOM 792 N SER A 356 7.828 37.852 1.546 1.00 0.00 N ATOM 793 CA SER A 356 9.013 37.041 1.236 1.00 0.00 C ATOM 794 C SER A 356 9.819 36.793 2.524 1.00 0.00 C ATOM 795 O SER A 356 9.451 37.297 3.599 1.00 0.00 O ATOM 796 CB SER A 356 9.863 37.761 0.168 1.00 0.00 C ATOM 797 OG SER A 356 10.221 39.074 0.586 1.00 0.00 O ATOM 0 H SER A 356 8.007 38.575 2.243 1.00 0.00 H new ATOM 0 HA SER A 356 8.711 36.074 0.835 1.00 0.00 H new ATOM 0 HB2 SER A 356 10.765 37.183 -0.032 1.00 0.00 H new ATOM 0 HB3 SER A 356 9.305 37.815 -0.767 1.00 0.00 H new ATOM 0 HG SER A 356 10.760 39.503 -0.111 1.00 0.00 H new ATOM 803 N VAL A 357 10.898 35.993 2.415 1.00 0.00 N ATOM 804 CA VAL A 357 11.836 35.757 3.524 1.00 0.00 C ATOM 805 C VAL A 357 12.562 37.080 3.889 1.00 0.00 C ATOM 806 O VAL A 357 13.029 37.782 2.987 1.00 0.00 O ATOM 807 CB VAL A 357 12.892 34.625 3.173 1.00 0.00 C ATOM 808 CG1 VAL A 357 13.685 34.943 1.876 1.00 0.00 C ATOM 809 CG2 VAL A 357 13.853 34.350 4.368 1.00 0.00 C ATOM 0 H VAL A 357 11.141 35.495 1.558 1.00 0.00 H new ATOM 0 HA VAL A 357 11.261 35.410 4.382 1.00 0.00 H new ATOM 0 HB VAL A 357 12.324 33.714 2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 357 14.395 34.140 1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 357 12.993 35.031 1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 357 14.225 35.882 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 357 14.562 33.570 4.092 1.00 0.00 H new ATOM 0 HG22 VAL A 357 14.395 35.262 4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 357 13.274 34.025 5.233 1.00 0.00 H new ATOM 819 N PRO A 358 12.612 37.480 5.197 1.00 0.00 N ATOM 820 CA PRO A 358 13.377 38.669 5.632 1.00 0.00 C ATOM 821 C PRO A 358 14.903 38.385 5.648 1.00 0.00 C ATOM 822 O PRO A 358 15.317 37.218 5.671 1.00 0.00 O ATOM 823 CB PRO A 358 12.797 38.954 7.042 1.00 0.00 C ATOM 824 CG PRO A 358 12.370 37.618 7.551 1.00 0.00 C ATOM 825 CD PRO A 358 11.909 36.830 6.338 1.00 0.00 C ATOM 0 HA PRO A 358 13.279 39.526 4.965 1.00 0.00 H new ATOM 0 HB2 PRO A 358 13.544 39.406 7.694 1.00 0.00 H new ATOM 0 HB3 PRO A 358 11.957 39.646 6.992 1.00 0.00 H new ATOM 0 HG2 PRO A 358 13.194 37.112 8.054 1.00 0.00 H new ATOM 0 HG3 PRO A 358 11.565 37.718 8.279 1.00 0.00 H new ATOM 0 HD2 PRO A 358 12.175 35.776 6.422 1.00 0.00 H new ATOM 0 HD3 PRO A 358 10.827 36.877 6.219 1.00 0.00 H new ATOM 833 N PRO A 359 15.773 39.444 5.630 1.00 0.00 N ATOM 834 CA PRO A 359 17.256 39.270 5.571 1.00 0.00 C ATOM 835 C PRO A 359 17.912 38.966 6.943 1.00 0.00 C ATOM 836 O PRO A 359 19.138 39.067 7.078 1.00 0.00 O ATOM 837 CB PRO A 359 17.704 40.643 5.027 1.00 0.00 C ATOM 838 CG PRO A 359 16.741 41.603 5.661 1.00 0.00 C ATOM 839 CD PRO A 359 15.401 40.897 5.641 1.00 0.00 C ATOM 0 HA PRO A 359 17.551 38.413 4.966 1.00 0.00 H new ATOM 0 HB2 PRO A 359 18.734 40.867 5.303 1.00 0.00 H new ATOM 0 HB3 PRO A 359 17.650 40.680 3.939 1.00 0.00 H new ATOM 0 HG2 PRO A 359 17.042 41.847 6.680 1.00 0.00 H new ATOM 0 HG3 PRO A 359 16.699 42.541 5.108 1.00 0.00 H new ATOM 0 HD2 PRO A 359 14.800 41.151 6.514 1.00 0.00 H new ATOM 0 HD3 PRO A 359 14.817 41.169 4.762 1.00 0.00 H new ATOM 847 N GLU A 360 17.083 38.594 7.942 1.00 0.00 N ATOM 848 CA GLU A 360 17.533 38.338 9.326 1.00 0.00 C ATOM 849 C GLU A 360 18.500 37.122 9.393 1.00 0.00 C ATOM 850 O GLU A 360 18.223 36.086 8.768 1.00 0.00 O ATOM 851 CB GLU A 360 16.302 38.108 10.258 1.00 0.00 C ATOM 852 CG GLU A 360 15.174 39.153 10.104 1.00 0.00 C ATOM 853 CD GLU A 360 15.658 40.607 10.242 1.00 0.00 C ATOM 854 OE1 GLU A 360 15.824 41.084 11.385 1.00 0.00 O ATOM 855 OE2 GLU A 360 15.897 41.280 9.207 1.00 0.00 O ATOM 0 H GLU A 360 16.080 38.463 7.810 1.00 0.00 H new ATOM 0 HA GLU A 360 18.080 39.216 9.670 1.00 0.00 H new ATOM 0 HB2 GLU A 360 15.892 37.118 10.058 1.00 0.00 H new ATOM 0 HB3 GLU A 360 16.642 38.109 11.294 1.00 0.00 H new ATOM 0 HG2 GLU A 360 14.704 39.027 9.129 1.00 0.00 H new ATOM 0 HG3 GLU A 360 14.408 38.961 10.855 1.00 0.00 H new ATOM 862 N PRO A 361 19.649 37.236 10.151 1.00 0.00 N ATOM 863 CA PRO A 361 20.644 36.131 10.295 1.00 0.00 C ATOM 864 C PRO A 361 20.073 34.930 11.088 1.00 0.00 C ATOM 865 O PRO A 361 20.428 33.771 10.831 1.00 0.00 O ATOM 866 CB PRO A 361 21.826 36.814 11.041 1.00 0.00 C ATOM 867 CG PRO A 361 21.190 37.946 11.797 1.00 0.00 C ATOM 868 CD PRO A 361 20.068 38.450 10.912 1.00 0.00 C ATOM 0 HA PRO A 361 20.938 35.700 9.338 1.00 0.00 H new ATOM 0 HB2 PRO A 361 22.325 36.118 11.715 1.00 0.00 H new ATOM 0 HB3 PRO A 361 22.580 37.177 10.342 1.00 0.00 H new ATOM 0 HG2 PRO A 361 20.807 37.608 12.760 1.00 0.00 H new ATOM 0 HG3 PRO A 361 21.913 38.736 12.001 1.00 0.00 H new ATOM 0 HD2 PRO A 361 19.246 38.858 11.500 1.00 0.00 H new ATOM 0 HD3 PRO A 361 20.408 39.243 10.246 1.00 0.00 H new ATOM 876 N GLU A 362 19.173 35.234 12.039 1.00 0.00 N ATOM 877 CA GLU A 362 18.451 34.237 12.847 1.00 0.00 C ATOM 878 C GLU A 362 16.959 34.602 12.829 1.00 0.00 C ATOM 879 O GLU A 362 16.573 35.712 13.229 1.00 0.00 O ATOM 880 CB GLU A 362 19.029 34.183 14.291 1.00 0.00 C ATOM 881 CG GLU A 362 19.132 35.552 14.993 1.00 0.00 C ATOM 882 CD GLU A 362 19.846 35.485 16.355 1.00 0.00 C ATOM 883 OE1 GLU A 362 19.168 35.437 17.401 1.00 0.00 O ATOM 884 OE2 GLU A 362 21.095 35.464 16.379 1.00 0.00 O ATOM 0 H GLU A 362 18.923 36.195 12.271 1.00 0.00 H new ATOM 0 HA GLU A 362 18.575 33.238 12.430 1.00 0.00 H new ATOM 0 HB2 GLU A 362 18.403 33.526 14.895 1.00 0.00 H new ATOM 0 HB3 GLU A 362 20.021 33.733 14.255 1.00 0.00 H new ATOM 0 HG2 GLU A 362 19.666 36.246 14.344 1.00 0.00 H new ATOM 0 HG3 GLU A 362 18.130 35.956 15.135 1.00 0.00 H new ATOM 891 N TRP A 363 16.137 33.687 12.309 1.00 0.00 N ATOM 892 CA TRP A 363 14.700 33.926 12.110 1.00 0.00 C ATOM 893 C TRP A 363 13.876 33.322 13.254 1.00 0.00 C ATOM 894 O TRP A 363 14.120 32.189 13.698 1.00 0.00 O ATOM 895 CB TRP A 363 14.221 33.354 10.754 1.00 0.00 C ATOM 896 CG TRP A 363 12.801 33.746 10.393 1.00 0.00 C ATOM 897 CD1 TRP A 363 12.411 34.888 9.753 1.00 0.00 C ATOM 898 CD2 TRP A 363 11.586 33.018 10.667 1.00 0.00 C ATOM 899 NE1 TRP A 363 11.051 34.909 9.605 1.00 0.00 N ATOM 900 CE2 TRP A 363 10.523 33.781 10.164 1.00 0.00 C ATOM 901 CE3 TRP A 363 11.296 31.803 11.295 1.00 0.00 C ATOM 902 CZ2 TRP A 363 9.203 33.368 10.250 1.00 0.00 C ATOM 903 CZ3 TRP A 363 9.976 31.395 11.387 1.00 0.00 C ATOM 904 CH2 TRP A 363 8.945 32.176 10.868 1.00 0.00 C ATOM 0 H TRP A 363 16.445 32.761 12.014 1.00 0.00 H new ATOM 0 HA TRP A 363 14.548 35.005 12.104 1.00 0.00 H new ATOM 0 HB2 TRP A 363 14.894 33.696 9.968 1.00 0.00 H new ATOM 0 HB3 TRP A 363 14.292 32.267 10.783 1.00 0.00 H new ATOM 0 HD1 TRP A 363 13.081 35.664 9.412 1.00 0.00 H new ATOM 0 HE1 TRP A 363 10.517 35.649 9.150 1.00 0.00 H new ATOM 0 HE3 TRP A 363 12.089 31.193 11.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 363 8.404 33.969 9.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 363 9.742 30.457 11.868 1.00 0.00 H new ATOM 0 HH2 TRP A 363 7.924 31.834 10.955 1.00 0.00 H new ATOM 915 N TYR A 364 12.878 34.097 13.703 1.00 0.00 N ATOM 916 CA TYR A 364 11.909 33.690 14.724 1.00 0.00 C ATOM 917 C TYR A 364 10.497 34.053 14.255 1.00 0.00 C ATOM 918 O TYR A 364 10.306 35.010 13.499 1.00 0.00 O ATOM 919 CB TYR A 364 12.220 34.376 16.078 1.00 0.00 C ATOM 920 CG TYR A 364 13.625 34.065 16.613 1.00 0.00 C ATOM 921 CD1 TYR A 364 13.918 32.816 17.152 1.00 0.00 C ATOM 922 CD2 TYR A 364 14.656 35.007 16.547 1.00 0.00 C ATOM 923 CE1 TYR A 364 15.181 32.515 17.613 1.00 0.00 C ATOM 924 CE2 TYR A 364 15.922 34.708 17.012 1.00 0.00 C ATOM 925 CZ TYR A 364 16.177 33.460 17.541 1.00 0.00 C ATOM 926 OH TYR A 364 17.438 33.150 18.003 1.00 0.00 O ATOM 0 H TYR A 364 12.721 35.044 13.357 1.00 0.00 H new ATOM 0 HA TYR A 364 11.976 32.612 14.869 1.00 0.00 H new ATOM 0 HB2 TYR A 364 12.114 35.455 15.963 1.00 0.00 H new ATOM 0 HB3 TYR A 364 11.481 34.060 16.815 1.00 0.00 H new ATOM 0 HD1 TYR A 364 13.141 32.068 17.210 1.00 0.00 H new ATOM 0 HD2 TYR A 364 14.460 35.982 16.127 1.00 0.00 H new ATOM 0 HE1 TYR A 364 15.388 31.540 18.029 1.00 0.00 H new ATOM 0 HE2 TYR A 364 16.708 35.447 16.962 1.00 0.00 H new ATOM 0 HH TYR A 364 18.045 33.898 17.824 1.00 0.00 H new ATOM 936 N CYS A 365 9.515 33.258 14.691 1.00 0.00 N ATOM 937 CA CYS A 365 8.097 33.511 14.408 1.00 0.00 C ATOM 938 C CYS A 365 7.609 34.691 15.258 1.00 0.00 C ATOM 939 O CYS A 365 8.097 34.857 16.390 1.00 0.00 O ATOM 940 CB CYS A 365 7.255 32.257 14.733 1.00 0.00 C ATOM 941 SG CYS A 365 7.091 31.892 16.519 1.00 0.00 S ATOM 0 H CYS A 365 9.680 32.421 15.250 1.00 0.00 H new ATOM 0 HA CYS A 365 7.983 33.748 13.350 1.00 0.00 H new ATOM 0 HB2 CYS A 365 6.259 32.384 14.308 1.00 0.00 H new ATOM 0 HB3 CYS A 365 7.705 31.396 14.239 1.00 0.00 H new ATOM 0 HG CYS A 365 8.193 32.213 17.130 1.00 0.00 H new ATOM 946 N PRO A 366 6.633 35.522 14.757 1.00 0.00 N ATOM 947 CA PRO A 366 5.997 36.585 15.582 1.00 0.00 C ATOM 948 C PRO A 366 5.346 36.001 16.858 1.00 0.00 C ATOM 949 O PRO A 366 5.311 36.658 17.895 1.00 0.00 O ATOM 950 CB PRO A 366 4.947 37.218 14.621 1.00 0.00 C ATOM 951 CG PRO A 366 4.745 36.188 13.541 1.00 0.00 C ATOM 952 CD PRO A 366 6.090 35.528 13.364 1.00 0.00 C ATOM 0 HA PRO A 366 6.712 37.319 15.953 1.00 0.00 H new ATOM 0 HB2 PRO A 366 4.014 37.434 15.141 1.00 0.00 H new ATOM 0 HB3 PRO A 366 5.307 38.160 14.207 1.00 0.00 H new ATOM 0 HG2 PRO A 366 3.985 35.461 13.828 1.00 0.00 H new ATOM 0 HG3 PRO A 366 4.409 36.651 12.613 1.00 0.00 H new ATOM 0 HD2 PRO A 366 5.997 34.520 12.960 1.00 0.00 H new ATOM 0 HD3 PRO A 366 6.730 36.087 12.681 1.00 0.00 H new ATOM 960 N SER A 367 4.910 34.725 16.759 1.00 0.00 N ATOM 961 CA SER A 367 4.284 33.949 17.851 1.00 0.00 C ATOM 962 C SER A 367 5.222 33.755 19.084 1.00 0.00 C ATOM 963 O SER A 367 4.787 33.291 20.134 1.00 0.00 O ATOM 964 CB SER A 367 3.856 32.571 17.285 1.00 0.00 C ATOM 965 OG SER A 367 3.320 32.689 15.970 1.00 0.00 O ATOM 0 H SER A 367 4.987 34.193 15.892 1.00 0.00 H new ATOM 0 HA SER A 367 3.423 34.511 18.212 1.00 0.00 H new ATOM 0 HB2 SER A 367 4.715 31.900 17.270 1.00 0.00 H new ATOM 0 HB3 SER A 367 3.112 32.122 17.943 1.00 0.00 H new ATOM 0 HG SER A 367 3.061 31.803 15.641 1.00 0.00 H new ATOM 971 N CYS A 368 6.521 34.078 18.929 1.00 0.00 N ATOM 972 CA CYS A 368 7.498 34.053 20.042 1.00 0.00 C ATOM 973 C CYS A 368 7.308 35.250 20.997 1.00 0.00 C ATOM 974 O CYS A 368 7.670 35.168 22.180 1.00 0.00 O ATOM 975 CB CYS A 368 8.946 34.015 19.492 1.00 0.00 C ATOM 976 SG CYS A 368 9.652 32.345 19.362 1.00 0.00 S ATOM 0 H CYS A 368 6.923 34.362 18.036 1.00 0.00 H new ATOM 0 HA CYS A 368 7.319 33.145 20.618 1.00 0.00 H new ATOM 0 HB2 CYS A 368 8.960 34.481 18.507 1.00 0.00 H new ATOM 0 HB3 CYS A 368 9.584 34.617 20.139 1.00 0.00 H new ATOM 0 HG CYS A 368 9.931 32.087 18.119 1.00 0.00 H new