USER MOD reduce.3.24.130724 H: found=0, std=0, add=341, rem=0, adj=16 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 338 CYS SG : rot -130:sc= -0.623 USER MOD Set 1.2: A 341 CYS SG : rot 150:sc= 0.255 USER MOD Set 1.3: A 365 CYS SG : rot -35:sc= -2.67! USER MOD Set 1.4: A 368 CYS SG : rot -71:sc= 1.45 USER MOD Set 2.1: A 323 CYS SG : rot -97:sc= -0.548 USER MOD Set 2.2: A 326 CYS SG : rot 155:sc= 1.13 USER MOD Set 2.3: A 346 HIS : no HE2:sc= -1.6 K(o=-5.7,f=-7.1) USER MOD Set 2.4: A 348 TYR OH : rot -130:sc= -2.06! USER MOD Set 2.5: A 349 CYS SG : rot 39:sc= -2.59! USER MOD Single : A 324 HIS : no HD1:sc=-0.00275 X(o=-0.0028,f=-0.0028) USER MOD Single : A 334 LYS NZ :NH3+ 142:sc= 0.4 (180deg=0.0486) USER MOD Single : A 335 GLN : amide:sc= -1.45 K(o=-1.4,f=-3.1!) USER MOD Single : A 343 MET CE :methyl 145:sc= -0.574 (180deg=-2.52!) USER MOD Single : A 351 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0303) USER MOD Single : A 355 THR OG1 : rot 180:sc= 0 USER MOD Single : A 356 SER OG : rot 180:sc= 0 USER MOD Single : A 364 TYR OH : rot 180:sc= 0 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 285 N ALA A 322 6.597 19.501 8.878 1.00 0.00 N ATOM 286 CA ALA A 322 5.507 20.277 8.286 1.00 0.00 C ATOM 287 C ALA A 322 5.379 21.611 9.029 1.00 0.00 C ATOM 288 O ALA A 322 6.008 21.821 10.079 1.00 0.00 O ATOM 289 CB ALA A 322 4.187 19.474 8.369 1.00 0.00 C ATOM 0 HA ALA A 322 5.720 20.476 7.236 1.00 0.00 H new ATOM 0 HB1 ALA A 322 3.379 20.056 7.927 1.00 0.00 H new ATOM 0 HB2 ALA A 322 4.297 18.535 7.826 1.00 0.00 H new ATOM 0 HB3 ALA A 322 3.954 19.264 9.413 1.00 0.00 H new ATOM 295 N CYS A 323 4.525 22.483 8.503 1.00 0.00 N ATOM 296 CA CYS A 323 4.139 23.740 9.154 1.00 0.00 C ATOM 297 C CYS A 323 2.848 23.492 9.931 1.00 0.00 C ATOM 298 O CYS A 323 1.773 23.416 9.333 1.00 0.00 O ATOM 299 CB CYS A 323 3.986 24.876 8.110 1.00 0.00 C ATOM 300 SG CYS A 323 2.856 26.244 8.560 1.00 0.00 S ATOM 0 H CYS A 323 4.073 22.339 7.600 1.00 0.00 H new ATOM 0 HA CYS A 323 4.915 24.066 9.847 1.00 0.00 H new ATOM 0 HB2 CYS A 323 4.972 25.297 7.915 1.00 0.00 H new ATOM 0 HB3 CYS A 323 3.637 24.437 7.175 1.00 0.00 H new ATOM 0 HG CYS A 323 1.692 26.042 8.017 1.00 0.00 H new ATOM 305 N HIS A 324 2.980 23.363 11.269 1.00 0.00 N ATOM 306 CA HIS A 324 1.886 22.951 12.181 1.00 0.00 C ATOM 307 C HIS A 324 0.758 24.007 12.228 1.00 0.00 C ATOM 308 O HIS A 324 -0.379 23.707 12.611 1.00 0.00 O ATOM 309 CB HIS A 324 2.464 22.694 13.605 1.00 0.00 C ATOM 310 CG HIS A 324 1.439 22.246 14.622 1.00 0.00 C ATOM 311 ND1 HIS A 324 0.837 23.089 15.529 1.00 0.00 N ATOM 312 CD2 HIS A 324 0.881 21.026 14.828 1.00 0.00 C ATOM 313 CE1 HIS A 324 -0.036 22.371 16.242 1.00 0.00 C ATOM 314 NE2 HIS A 324 -0.053 21.114 15.851 1.00 0.00 N ATOM 0 H HIS A 324 3.859 23.544 11.754 1.00 0.00 H new ATOM 0 HA HIS A 324 1.447 22.029 11.800 1.00 0.00 H new ATOM 0 HB2 HIS A 324 3.245 21.937 13.536 1.00 0.00 H new ATOM 0 HB3 HIS A 324 2.937 23.608 13.962 1.00 0.00 H new ATOM 0 HD2 HIS A 324 1.126 20.127 14.281 1.00 0.00 H new ATOM 0 HE1 HIS A 324 -0.649 22.770 17.037 1.00 0.00 H new ATOM 0 HE2 HIS A 324 -0.632 20.361 16.223 1.00 0.00 H new ATOM 322 N VAL A 325 1.094 25.235 11.792 1.00 0.00 N ATOM 323 CA VAL A 325 0.175 26.390 11.763 1.00 0.00 C ATOM 324 C VAL A 325 -1.070 26.094 10.885 1.00 0.00 C ATOM 325 O VAL A 325 -2.161 26.612 11.133 1.00 0.00 O ATOM 326 CB VAL A 325 0.913 27.684 11.237 1.00 0.00 C ATOM 327 CG1 VAL A 325 0.074 28.963 11.481 1.00 0.00 C ATOM 328 CG2 VAL A 325 2.327 27.821 11.860 1.00 0.00 C ATOM 0 H VAL A 325 2.027 25.457 11.444 1.00 0.00 H new ATOM 0 HA VAL A 325 -0.159 26.569 12.785 1.00 0.00 H new ATOM 0 HB VAL A 325 1.030 27.569 10.159 1.00 0.00 H new ATOM 0 HG11 VAL A 325 0.616 29.831 11.105 1.00 0.00 H new ATOM 0 HG12 VAL A 325 -0.880 28.877 10.960 1.00 0.00 H new ATOM 0 HG13 VAL A 325 -0.106 29.082 12.550 1.00 0.00 H new ATOM 0 HG21 VAL A 325 2.808 28.721 11.477 1.00 0.00 H new ATOM 0 HG22 VAL A 325 2.242 27.888 12.945 1.00 0.00 H new ATOM 0 HG23 VAL A 325 2.927 26.950 11.597 1.00 0.00 H new ATOM 338 N CYS A 326 -0.879 25.227 9.871 1.00 0.00 N ATOM 339 CA CYS A 326 -1.965 24.764 8.977 1.00 0.00 C ATOM 340 C CYS A 326 -1.946 23.231 8.819 1.00 0.00 C ATOM 341 O CYS A 326 -2.898 22.650 8.286 1.00 0.00 O ATOM 342 CB CYS A 326 -1.832 25.433 7.597 1.00 0.00 C ATOM 343 SG CYS A 326 -0.274 25.072 6.711 1.00 0.00 S ATOM 0 H CYS A 326 0.032 24.826 9.647 1.00 0.00 H new ATOM 0 HA CYS A 326 -2.916 25.047 9.429 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -2.669 25.116 6.974 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -1.919 26.512 7.723 1.00 0.00 H new ATOM 0 HG CYS A 326 -0.463 25.200 5.431 1.00 0.00 H new ATOM 348 N GLY A 327 -0.869 22.590 9.311 1.00 0.00 N ATOM 349 CA GLY A 327 -0.615 21.172 9.041 1.00 0.00 C ATOM 350 C GLY A 327 -0.379 20.900 7.557 1.00 0.00 C ATOM 351 O GLY A 327 -1.175 20.211 6.900 1.00 0.00 O ATOM 0 H GLY A 327 -0.164 23.036 9.897 1.00 0.00 H new ATOM 0 HA2 GLY A 327 0.255 20.846 9.611 1.00 0.00 H new ATOM 0 HA3 GLY A 327 -1.463 20.581 9.387 1.00 0.00 H new ATOM 355 N GLY A 328 0.718 21.465 7.020 1.00 0.00 N ATOM 356 CA GLY A 328 1.033 21.344 5.594 1.00 0.00 C ATOM 357 C GLY A 328 2.498 21.620 5.277 1.00 0.00 C ATOM 358 O GLY A 328 3.110 22.504 5.879 1.00 0.00 O ATOM 0 H GLY A 328 1.396 22.007 7.555 1.00 0.00 H new ATOM 0 HA2 GLY A 328 0.778 20.340 5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 328 0.409 22.038 5.031 1.00 0.00 H new ATOM 362 N ARG A 329 3.046 20.861 4.305 1.00 0.00 N ATOM 363 CA ARG A 329 4.439 21.008 3.806 1.00 0.00 C ATOM 364 C ARG A 329 4.458 21.832 2.501 1.00 0.00 C ATOM 365 O ARG A 329 5.309 21.627 1.626 1.00 0.00 O ATOM 366 CB ARG A 329 5.041 19.597 3.573 1.00 0.00 C ATOM 367 CG ARG A 329 5.284 18.788 4.865 1.00 0.00 C ATOM 368 CD ARG A 329 5.816 17.371 4.588 1.00 0.00 C ATOM 369 NE ARG A 329 7.023 17.375 3.745 1.00 0.00 N ATOM 370 CZ ARG A 329 7.384 16.390 2.903 1.00 0.00 C ATOM 371 NH1 ARG A 329 6.646 15.291 2.778 1.00 0.00 N ATOM 372 NH2 ARG A 329 8.479 16.516 2.187 1.00 0.00 N ATOM 0 H ARG A 329 2.530 20.117 3.835 1.00 0.00 H new ATOM 0 HA ARG A 329 5.039 21.539 4.545 1.00 0.00 H new ATOM 0 HB2 ARG A 329 4.371 19.032 2.925 1.00 0.00 H new ATOM 0 HB3 ARG A 329 5.986 19.702 3.041 1.00 0.00 H new ATOM 0 HG2 ARG A 329 5.996 19.322 5.495 1.00 0.00 H new ATOM 0 HG3 ARG A 329 4.352 18.718 5.426 1.00 0.00 H new ATOM 0 HD2 ARG A 329 6.040 16.879 5.535 1.00 0.00 H new ATOM 0 HD3 ARG A 329 5.038 16.784 4.100 1.00 0.00 H new ATOM 0 HE ARG A 329 7.634 18.189 3.804 1.00 0.00 H new ATOM 0 HH11 ARG A 329 5.792 15.185 3.325 1.00 0.00 H new ATOM 0 HH12 ARG A 329 6.934 14.554 2.135 1.00 0.00 H new ATOM 0 HH21 ARG A 329 9.050 17.357 2.272 1.00 0.00 H new ATOM 0 HH22 ARG A 329 8.758 15.773 1.547 1.00 0.00 H new ATOM 386 N GLU A 330 3.545 22.802 2.429 1.00 0.00 N ATOM 387 CA GLU A 330 3.211 23.528 1.195 1.00 0.00 C ATOM 388 C GLU A 330 4.328 24.531 0.846 1.00 0.00 C ATOM 389 O GLU A 330 4.419 25.592 1.469 1.00 0.00 O ATOM 390 CB GLU A 330 1.866 24.274 1.390 1.00 0.00 C ATOM 391 CG GLU A 330 0.821 23.527 2.239 1.00 0.00 C ATOM 392 CD GLU A 330 -0.366 24.421 2.646 1.00 0.00 C ATOM 393 OE1 GLU A 330 -1.445 24.332 2.024 1.00 0.00 O ATOM 394 OE2 GLU A 330 -0.198 25.246 3.578 1.00 0.00 O ATOM 0 H GLU A 330 3.006 23.113 3.237 1.00 0.00 H new ATOM 0 HA GLU A 330 3.117 22.818 0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 330 2.068 25.238 1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 330 1.436 24.478 0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 330 0.449 22.670 1.678 1.00 0.00 H new ATOM 0 HG3 GLU A 330 1.301 23.136 3.137 1.00 0.00 H new ATOM 401 N ALA A 331 5.164 24.165 -0.135 1.00 0.00 N ATOM 402 CA ALA A 331 6.364 24.930 -0.541 1.00 0.00 C ATOM 403 C ALA A 331 7.423 24.943 0.590 1.00 0.00 C ATOM 404 O ALA A 331 7.361 25.799 1.492 1.00 0.00 O ATOM 405 CB ALA A 331 6.010 26.360 -0.995 1.00 0.00 C ATOM 0 H ALA A 331 5.028 23.315 -0.682 1.00 0.00 H new ATOM 0 HA ALA A 331 6.797 24.421 -1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.920 26.886 -1.284 1.00 0.00 H new ATOM 0 HB2 ALA A 331 5.332 26.314 -1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 331 5.528 26.893 -0.176 1.00 0.00 H new ATOM 411 N PRO A 332 8.402 23.977 0.574 1.00 0.00 N ATOM 412 CA PRO A 332 9.510 23.933 1.566 1.00 0.00 C ATOM 413 C PRO A 332 10.445 25.168 1.479 1.00 0.00 C ATOM 414 O PRO A 332 11.120 25.510 2.453 1.00 0.00 O ATOM 415 CB PRO A 332 10.254 22.614 1.216 1.00 0.00 C ATOM 416 CG PRO A 332 9.905 22.351 -0.214 1.00 0.00 C ATOM 417 CD PRO A 332 8.485 22.842 -0.385 1.00 0.00 C ATOM 0 HA PRO A 332 9.145 23.958 2.593 1.00 0.00 H new ATOM 0 HB2 PRO A 332 11.331 22.719 1.348 1.00 0.00 H new ATOM 0 HB3 PRO A 332 9.933 21.795 1.859 1.00 0.00 H new ATOM 0 HG2 PRO A 332 10.584 22.876 -0.886 1.00 0.00 H new ATOM 0 HG3 PRO A 332 9.983 21.289 -0.447 1.00 0.00 H new ATOM 0 HD2 PRO A 332 8.290 23.164 -1.408 1.00 0.00 H new ATOM 0 HD3 PRO A 332 7.759 22.064 -0.152 1.00 0.00 H new ATOM 425 N GLU A 333 10.464 25.817 0.294 1.00 0.00 N ATOM 426 CA GLU A 333 11.160 27.107 0.076 1.00 0.00 C ATOM 427 C GLU A 333 10.585 28.225 0.975 1.00 0.00 C ATOM 428 O GLU A 333 11.326 29.091 1.451 1.00 0.00 O ATOM 429 CB GLU A 333 11.063 27.529 -1.421 1.00 0.00 C ATOM 430 CG GLU A 333 9.626 27.537 -2.004 1.00 0.00 C ATOM 431 CD GLU A 333 9.505 28.213 -3.381 1.00 0.00 C ATOM 432 OE1 GLU A 333 8.640 29.102 -3.547 1.00 0.00 O ATOM 433 OE2 GLU A 333 10.293 27.878 -4.295 1.00 0.00 O ATOM 0 H GLU A 333 9.997 25.462 -0.540 1.00 0.00 H new ATOM 0 HA GLU A 333 12.207 26.964 0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 333 11.490 28.526 -1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 333 11.677 26.852 -2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 333 9.274 26.509 -2.085 1.00 0.00 H new ATOM 0 HG3 GLU A 333 8.965 28.046 -1.303 1.00 0.00 H new ATOM 440 N LYS A 334 9.258 28.182 1.209 1.00 0.00 N ATOM 441 CA LYS A 334 8.539 29.203 2.002 1.00 0.00 C ATOM 442 C LYS A 334 8.217 28.705 3.419 1.00 0.00 C ATOM 443 O LYS A 334 7.500 29.386 4.164 1.00 0.00 O ATOM 444 CB LYS A 334 7.248 29.651 1.255 1.00 0.00 C ATOM 445 CG LYS A 334 7.530 30.399 -0.068 1.00 0.00 C ATOM 446 CD LYS A 334 6.262 31.008 -0.709 1.00 0.00 C ATOM 447 CE LYS A 334 5.345 29.974 -1.370 1.00 0.00 C ATOM 448 NZ LYS A 334 5.970 29.388 -2.585 1.00 0.00 N ATOM 0 H LYS A 334 8.654 27.440 0.855 1.00 0.00 H new ATOM 0 HA LYS A 334 9.195 30.066 2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 334 6.637 28.774 1.044 1.00 0.00 H new ATOM 0 HB3 LYS A 334 6.664 30.296 1.911 1.00 0.00 H new ATOM 0 HG2 LYS A 334 8.252 31.194 0.119 1.00 0.00 H new ATOM 0 HG3 LYS A 334 7.991 29.710 -0.776 1.00 0.00 H new ATOM 0 HD2 LYS A 334 5.699 31.541 0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 334 6.561 31.744 -1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 334 5.117 29.181 -0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 334 4.398 30.444 -1.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 5.738 28.376 -2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 5.607 29.873 -3.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 7.002 29.505 -2.535 1.00 0.00 H new ATOM 462 N GLN A 335 8.749 27.519 3.794 1.00 0.00 N ATOM 463 CA GLN A 335 8.676 27.032 5.178 1.00 0.00 C ATOM 464 C GLN A 335 9.748 27.726 6.036 1.00 0.00 C ATOM 465 O GLN A 335 10.951 27.518 5.838 1.00 0.00 O ATOM 466 CB GLN A 335 8.787 25.483 5.285 1.00 0.00 C ATOM 467 CG GLN A 335 7.519 24.722 4.825 1.00 0.00 C ATOM 468 CD GLN A 335 7.364 23.327 5.446 1.00 0.00 C ATOM 469 OE1 GLN A 335 6.247 22.895 5.746 1.00 0.00 O ATOM 470 NE2 GLN A 335 8.461 22.598 5.607 1.00 0.00 N ATOM 0 H GLN A 335 9.231 26.888 3.154 1.00 0.00 H new ATOM 0 HA GLN A 335 7.688 27.289 5.560 1.00 0.00 H new ATOM 0 HB2 GLN A 335 9.635 25.149 4.687 1.00 0.00 H new ATOM 0 HB3 GLN A 335 9.002 25.216 6.320 1.00 0.00 H new ATOM 0 HG2 GLN A 335 6.641 25.318 5.074 1.00 0.00 H new ATOM 0 HG3 GLN A 335 7.541 24.624 3.740 1.00 0.00 H new ATOM 0 HE21 GLN A 335 9.371 22.982 5.350 1.00 0.00 H new ATOM 0 HE22 GLN A 335 8.395 21.654 5.988 1.00 0.00 H new ATOM 479 N LEU A 336 9.282 28.583 6.956 1.00 0.00 N ATOM 480 CA LEU A 336 10.135 29.335 7.887 1.00 0.00 C ATOM 481 C LEU A 336 10.202 28.613 9.239 1.00 0.00 C ATOM 482 O LEU A 336 9.285 28.717 10.062 1.00 0.00 O ATOM 483 CB LEU A 336 9.587 30.775 8.054 1.00 0.00 C ATOM 484 CG LEU A 336 9.696 31.682 6.791 1.00 0.00 C ATOM 485 CD1 LEU A 336 8.918 32.999 6.983 1.00 0.00 C ATOM 486 CD2 LEU A 336 11.180 31.964 6.421 1.00 0.00 C ATOM 0 H LEU A 336 8.288 28.776 7.076 1.00 0.00 H new ATOM 0 HA LEU A 336 11.146 29.395 7.483 1.00 0.00 H new ATOM 0 HB2 LEU A 336 8.539 30.715 8.348 1.00 0.00 H new ATOM 0 HB3 LEU A 336 10.121 31.256 8.873 1.00 0.00 H new ATOM 0 HG LEU A 336 9.243 31.141 5.960 1.00 0.00 H new ATOM 0 HD11 LEU A 336 9.012 33.611 6.086 1.00 0.00 H new ATOM 0 HD12 LEU A 336 7.866 32.777 7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 336 9.325 33.541 7.837 1.00 0.00 H new ATOM 0 HD21 LEU A 336 11.220 32.599 5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 336 11.673 32.468 7.252 1.00 0.00 H new ATOM 0 HD23 LEU A 336 11.689 31.022 6.215 1.00 0.00 H new ATOM 498 N LEU A 337 11.302 27.882 9.452 1.00 0.00 N ATOM 499 CA LEU A 337 11.506 27.073 10.667 1.00 0.00 C ATOM 500 C LEU A 337 12.129 27.952 11.765 1.00 0.00 C ATOM 501 O LEU A 337 13.309 28.310 11.688 1.00 0.00 O ATOM 502 CB LEU A 337 12.419 25.819 10.396 1.00 0.00 C ATOM 503 CG LEU A 337 11.827 24.672 9.505 1.00 0.00 C ATOM 504 CD1 LEU A 337 11.674 25.085 8.022 1.00 0.00 C ATOM 505 CD2 LEU A 337 12.675 23.378 9.628 1.00 0.00 C ATOM 0 H LEU A 337 12.077 27.832 8.790 1.00 0.00 H new ATOM 0 HA LEU A 337 10.534 26.701 10.992 1.00 0.00 H new ATOM 0 HB2 LEU A 337 13.339 26.168 9.928 1.00 0.00 H new ATOM 0 HB3 LEU A 337 12.694 25.389 11.359 1.00 0.00 H new ATOM 0 HG LEU A 337 10.824 24.472 9.883 1.00 0.00 H new ATOM 0 HD11 LEU A 337 11.260 24.252 7.453 1.00 0.00 H new ATOM 0 HD12 LEU A 337 11.004 25.942 7.950 1.00 0.00 H new ATOM 0 HD13 LEU A 337 12.650 25.352 7.616 1.00 0.00 H new ATOM 0 HD21 LEU A 337 12.243 22.599 9.000 1.00 0.00 H new ATOM 0 HD22 LEU A 337 13.696 23.580 9.304 1.00 0.00 H new ATOM 0 HD23 LEU A 337 12.683 23.045 10.666 1.00 0.00 H new ATOM 517 N CYS A 338 11.299 28.335 12.759 1.00 0.00 N ATOM 518 CA CYS A 338 11.777 29.058 13.950 1.00 0.00 C ATOM 519 C CYS A 338 12.643 28.119 14.790 1.00 0.00 C ATOM 520 O CYS A 338 12.109 27.216 15.430 1.00 0.00 O ATOM 521 CB CYS A 338 10.599 29.583 14.796 1.00 0.00 C ATOM 522 SG CYS A 338 11.134 30.590 16.221 1.00 0.00 S ATOM 0 H CYS A 338 10.295 28.154 12.757 1.00 0.00 H new ATOM 0 HA CYS A 338 12.363 29.917 13.625 1.00 0.00 H new ATOM 0 HB2 CYS A 338 9.942 30.180 14.163 1.00 0.00 H new ATOM 0 HB3 CYS A 338 10.013 28.738 15.156 1.00 0.00 H new ATOM 0 HG CYS A 338 10.545 30.165 17.299 1.00 0.00 H new ATOM 527 N ASP A 339 13.970 28.340 14.763 1.00 0.00 N ATOM 528 CA ASP A 339 14.968 27.443 15.395 1.00 0.00 C ATOM 529 C ASP A 339 14.680 27.203 16.894 1.00 0.00 C ATOM 530 O ASP A 339 14.801 26.080 17.382 1.00 0.00 O ATOM 531 CB ASP A 339 16.387 28.041 15.209 1.00 0.00 C ATOM 532 CG ASP A 339 17.503 27.165 15.816 1.00 0.00 C ATOM 533 OD1 ASP A 339 18.152 27.583 16.805 1.00 0.00 O ATOM 534 OD2 ASP A 339 17.727 26.047 15.309 1.00 0.00 O ATOM 0 H ASP A 339 14.387 29.148 14.301 1.00 0.00 H new ATOM 0 HA ASP A 339 14.903 26.473 14.902 1.00 0.00 H new ATOM 0 HB2 ASP A 339 16.580 28.177 14.145 1.00 0.00 H new ATOM 0 HB3 ASP A 339 16.420 29.029 15.668 1.00 0.00 H new ATOM 539 N GLU A 340 14.277 28.281 17.594 1.00 0.00 N ATOM 540 CA GLU A 340 14.003 28.257 19.047 1.00 0.00 C ATOM 541 C GLU A 340 12.814 27.327 19.403 1.00 0.00 C ATOM 542 O GLU A 340 12.824 26.653 20.435 1.00 0.00 O ATOM 543 CB GLU A 340 13.726 29.701 19.533 1.00 0.00 C ATOM 544 CG GLU A 340 13.638 29.865 21.067 1.00 0.00 C ATOM 545 CD GLU A 340 13.375 31.315 21.510 1.00 0.00 C ATOM 546 OE1 GLU A 340 14.330 32.132 21.510 1.00 0.00 O ATOM 547 OE2 GLU A 340 12.214 31.653 21.828 1.00 0.00 O ATOM 0 H GLU A 340 14.131 29.196 17.168 1.00 0.00 H new ATOM 0 HA GLU A 340 14.880 27.854 19.554 1.00 0.00 H new ATOM 0 HB2 GLU A 340 14.514 30.353 19.157 1.00 0.00 H new ATOM 0 HB3 GLU A 340 12.791 30.044 19.091 1.00 0.00 H new ATOM 0 HG2 GLU A 340 12.842 29.226 21.449 1.00 0.00 H new ATOM 0 HG3 GLU A 340 14.568 29.518 21.517 1.00 0.00 H new ATOM 554 N CYS A 341 11.798 27.306 18.529 1.00 0.00 N ATOM 555 CA CYS A 341 10.553 26.537 18.759 1.00 0.00 C ATOM 556 C CYS A 341 10.542 25.219 17.954 1.00 0.00 C ATOM 557 O CYS A 341 9.674 24.365 18.174 1.00 0.00 O ATOM 558 CB CYS A 341 9.342 27.404 18.371 1.00 0.00 C ATOM 559 SG CYS A 341 9.246 29.002 19.237 1.00 0.00 S ATOM 0 H CYS A 341 11.809 27.816 17.646 1.00 0.00 H new ATOM 0 HA CYS A 341 10.500 26.276 19.816 1.00 0.00 H new ATOM 0 HB2 CYS A 341 9.373 27.589 17.297 1.00 0.00 H new ATOM 0 HB3 CYS A 341 8.430 26.842 18.571 1.00 0.00 H new ATOM 0 HG CYS A 341 8.663 29.876 18.472 1.00 0.00 H new ATOM 564 N ASP A 342 11.503 25.095 17.015 1.00 0.00 N ATOM 565 CA ASP A 342 11.673 23.938 16.098 1.00 0.00 C ATOM 566 C ASP A 342 10.406 23.624 15.258 1.00 0.00 C ATOM 567 O ASP A 342 10.237 22.507 14.752 1.00 0.00 O ATOM 568 CB ASP A 342 12.162 22.689 16.891 1.00 0.00 C ATOM 569 CG ASP A 342 13.465 22.956 17.669 1.00 0.00 C ATOM 570 OD1 ASP A 342 13.403 23.182 18.902 1.00 0.00 O ATOM 571 OD2 ASP A 342 14.551 22.969 17.050 1.00 0.00 O ATOM 0 H ASP A 342 12.207 25.818 16.866 1.00 0.00 H new ATOM 0 HA ASP A 342 12.438 24.217 15.373 1.00 0.00 H new ATOM 0 HB2 ASP A 342 11.384 22.378 17.588 1.00 0.00 H new ATOM 0 HB3 ASP A 342 12.319 21.862 16.199 1.00 0.00 H new ATOM 576 N MET A 343 9.541 24.639 15.078 1.00 0.00 N ATOM 577 CA MET A 343 8.317 24.530 14.262 1.00 0.00 C ATOM 578 C MET A 343 8.469 25.336 12.976 1.00 0.00 C ATOM 579 O MET A 343 8.997 26.463 12.991 1.00 0.00 O ATOM 580 CB MET A 343 7.065 25.025 15.044 1.00 0.00 C ATOM 581 CG MET A 343 6.555 24.101 16.170 1.00 0.00 C ATOM 582 SD MET A 343 5.487 22.745 15.599 1.00 0.00 S ATOM 583 CE MET A 343 6.636 21.547 14.920 1.00 0.00 C ATOM 0 H MET A 343 9.671 25.561 15.495 1.00 0.00 H new ATOM 0 HA MET A 343 8.174 23.477 14.019 1.00 0.00 H new ATOM 0 HB2 MET A 343 7.295 25.998 15.477 1.00 0.00 H new ATOM 0 HB3 MET A 343 6.254 25.177 14.332 1.00 0.00 H new ATOM 0 HG2 MET A 343 7.413 23.677 16.693 1.00 0.00 H new ATOM 0 HG3 MET A 343 6.005 24.701 16.895 1.00 0.00 H new ATOM 0 HE1 MET A 343 6.270 20.539 15.117 1.00 0.00 H new ATOM 0 HE2 MET A 343 6.724 21.697 13.844 1.00 0.00 H new ATOM 0 HE3 MET A 343 7.613 21.676 15.385 1.00 0.00 H new ATOM 593 N ALA A 344 7.982 24.744 11.879 1.00 0.00 N ATOM 594 CA ALA A 344 7.958 25.376 10.558 1.00 0.00 C ATOM 595 C ALA A 344 6.697 26.234 10.415 1.00 0.00 C ATOM 596 O ALA A 344 5.635 25.907 10.968 1.00 0.00 O ATOM 597 CB ALA A 344 8.029 24.325 9.435 1.00 0.00 C ATOM 0 H ALA A 344 7.590 23.802 11.885 1.00 0.00 H new ATOM 0 HA ALA A 344 8.836 26.015 10.467 1.00 0.00 H new ATOM 0 HB1 ALA A 344 8.009 24.825 8.467 1.00 0.00 H new ATOM 0 HB2 ALA A 344 8.952 23.753 9.529 1.00 0.00 H new ATOM 0 HB3 ALA A 344 7.176 23.651 9.513 1.00 0.00 H new ATOM 603 N PHE A 345 6.836 27.342 9.700 1.00 0.00 N ATOM 604 CA PHE A 345 5.733 28.252 9.354 1.00 0.00 C ATOM 605 C PHE A 345 5.644 28.350 7.829 1.00 0.00 C ATOM 606 O PHE A 345 6.304 27.606 7.113 1.00 0.00 O ATOM 607 CB PHE A 345 5.960 29.660 9.997 1.00 0.00 C ATOM 608 CG PHE A 345 5.628 29.747 11.495 1.00 0.00 C ATOM 609 CD1 PHE A 345 4.634 30.612 11.965 1.00 0.00 C ATOM 610 CD2 PHE A 345 6.298 28.958 12.427 1.00 0.00 C ATOM 611 CE1 PHE A 345 4.325 30.677 13.313 1.00 0.00 C ATOM 612 CE2 PHE A 345 5.988 29.025 13.764 1.00 0.00 C ATOM 613 CZ PHE A 345 5.000 29.882 14.211 1.00 0.00 C ATOM 0 H PHE A 345 7.737 27.647 9.332 1.00 0.00 H new ATOM 0 HA PHE A 345 4.793 27.864 9.747 1.00 0.00 H new ATOM 0 HB2 PHE A 345 7.002 29.945 9.853 1.00 0.00 H new ATOM 0 HB3 PHE A 345 5.353 30.390 9.462 1.00 0.00 H new ATOM 0 HD1 PHE A 345 4.100 31.238 11.266 1.00 0.00 H new ATOM 0 HD2 PHE A 345 7.073 28.283 12.094 1.00 0.00 H new ATOM 0 HE1 PHE A 345 3.555 31.351 13.659 1.00 0.00 H new ATOM 0 HE2 PHE A 345 6.520 28.404 14.470 1.00 0.00 H new ATOM 0 HZ PHE A 345 4.758 29.928 15.263 1.00 0.00 H new ATOM 623 N HIS A 346 4.774 29.229 7.351 1.00 0.00 N ATOM 624 CA HIS A 346 4.723 29.652 5.941 1.00 0.00 C ATOM 625 C HIS A 346 4.611 31.179 5.931 1.00 0.00 C ATOM 626 O HIS A 346 4.162 31.754 6.927 1.00 0.00 O ATOM 627 CB HIS A 346 3.520 29.009 5.183 1.00 0.00 C ATOM 628 CG HIS A 346 3.651 27.529 4.895 1.00 0.00 C ATOM 629 ND1 HIS A 346 2.613 26.633 5.137 1.00 0.00 N ATOM 630 CD2 HIS A 346 4.676 26.875 4.309 1.00 0.00 C ATOM 631 CE1 HIS A 346 3.061 25.480 4.679 1.00 0.00 C ATOM 632 NE2 HIS A 346 4.294 25.574 4.179 1.00 0.00 N ATOM 0 H HIS A 346 4.069 29.681 7.934 1.00 0.00 H new ATOM 0 HA HIS A 346 5.623 29.320 5.424 1.00 0.00 H new ATOM 0 HB2 HIS A 346 2.615 29.169 5.770 1.00 0.00 H new ATOM 0 HB3 HIS A 346 3.385 29.535 4.238 1.00 0.00 H new ATOM 0 HD1 HIS A 346 1.710 26.825 5.571 1.00 0.00 H new ATOM 0 HD2 HIS A 346 5.619 27.302 4.002 1.00 0.00 H new ATOM 0 HE1 HIS A 346 2.493 24.562 4.706 1.00 0.00 H new ATOM 640 N LEU A 347 5.010 31.823 4.820 1.00 0.00 N ATOM 641 CA LEU A 347 4.872 33.291 4.636 1.00 0.00 C ATOM 642 C LEU A 347 3.413 33.752 4.846 1.00 0.00 C ATOM 643 O LEU A 347 3.153 34.748 5.514 1.00 0.00 O ATOM 644 CB LEU A 347 5.363 33.698 3.220 1.00 0.00 C ATOM 645 CG LEU A 347 6.900 33.580 2.961 1.00 0.00 C ATOM 646 CD1 LEU A 347 7.254 33.928 1.496 1.00 0.00 C ATOM 647 CD2 LEU A 347 7.693 34.471 3.942 1.00 0.00 C ATOM 0 H LEU A 347 5.436 31.349 4.024 1.00 0.00 H new ATOM 0 HA LEU A 347 5.489 33.784 5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 347 4.844 33.080 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 347 5.063 34.730 3.037 1.00 0.00 H new ATOM 0 HG LEU A 347 7.185 32.542 3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 347 8.330 33.836 1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 347 6.737 33.243 0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 347 6.945 34.951 1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 347 8.760 34.372 3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 347 7.394 35.511 3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 347 7.485 34.160 4.966 1.00 0.00 H new ATOM 659 N TYR A 348 2.483 32.962 4.299 1.00 0.00 N ATOM 660 CA TYR A 348 1.026 33.207 4.368 1.00 0.00 C ATOM 661 C TYR A 348 0.386 32.544 5.623 1.00 0.00 C ATOM 662 O TYR A 348 -0.841 32.457 5.724 1.00 0.00 O ATOM 663 CB TYR A 348 0.367 32.689 3.054 1.00 0.00 C ATOM 664 CG TYR A 348 0.711 31.218 2.717 1.00 0.00 C ATOM 665 CD1 TYR A 348 -0.050 30.164 3.221 1.00 0.00 C ATOM 666 CD2 TYR A 348 1.824 30.897 1.930 1.00 0.00 C ATOM 667 CE1 TYR A 348 0.282 28.858 2.952 1.00 0.00 C ATOM 668 CE2 TYR A 348 2.150 29.589 1.655 1.00 0.00 C ATOM 669 CZ TYR A 348 1.375 28.577 2.175 1.00 0.00 C ATOM 670 OH TYR A 348 1.702 27.277 1.920 1.00 0.00 O ATOM 0 H TYR A 348 2.720 32.115 3.783 1.00 0.00 H new ATOM 0 HA TYR A 348 0.851 34.278 4.465 1.00 0.00 H new ATOM 0 HB2 TYR A 348 -0.715 32.789 3.138 1.00 0.00 H new ATOM 0 HB3 TYR A 348 0.682 33.324 2.226 1.00 0.00 H new ATOM 0 HD1 TYR A 348 -0.914 30.377 3.833 1.00 0.00 H new ATOM 0 HD2 TYR A 348 2.438 31.691 1.531 1.00 0.00 H new ATOM 0 HE1 TYR A 348 -0.318 28.054 3.352 1.00 0.00 H new ATOM 0 HE2 TYR A 348 3.005 29.358 1.037 1.00 0.00 H new ATOM 0 HH TYR A 348 2.652 27.135 2.112 1.00 0.00 H new ATOM 680 N CYS A 349 1.225 32.070 6.567 1.00 0.00 N ATOM 681 CA CYS A 349 0.771 31.522 7.878 1.00 0.00 C ATOM 682 C CYS A 349 1.291 32.399 9.034 1.00 0.00 C ATOM 683 O CYS A 349 1.324 31.969 10.195 1.00 0.00 O ATOM 684 CB CYS A 349 1.252 30.063 8.052 1.00 0.00 C ATOM 685 SG CYS A 349 0.485 28.895 6.899 1.00 0.00 S ATOM 0 H CYS A 349 2.238 32.053 6.449 1.00 0.00 H new ATOM 0 HA CYS A 349 -0.319 31.530 7.897 1.00 0.00 H new ATOM 0 HB2 CYS A 349 2.334 30.029 7.922 1.00 0.00 H new ATOM 0 HB3 CYS A 349 1.043 29.741 9.072 1.00 0.00 H new ATOM 0 HG CYS A 349 0.371 29.451 5.730 1.00 0.00 H new ATOM 690 N LEU A 350 1.704 33.631 8.695 1.00 0.00 N ATOM 691 CA LEU A 350 2.207 34.624 9.661 1.00 0.00 C ATOM 692 C LEU A 350 1.086 35.622 10.013 1.00 0.00 C ATOM 693 O LEU A 350 -0.073 35.422 9.630 1.00 0.00 O ATOM 694 CB LEU A 350 3.456 35.340 9.064 1.00 0.00 C ATOM 695 CG LEU A 350 4.632 34.393 8.664 1.00 0.00 C ATOM 696 CD1 LEU A 350 5.842 35.179 8.124 1.00 0.00 C ATOM 697 CD2 LEU A 350 5.034 33.475 9.836 1.00 0.00 C ATOM 0 H LEU A 350 1.698 33.970 7.733 1.00 0.00 H new ATOM 0 HA LEU A 350 2.511 34.131 10.584 1.00 0.00 H new ATOM 0 HB2 LEU A 350 3.147 35.903 8.183 1.00 0.00 H new ATOM 0 HB3 LEU A 350 3.824 36.064 9.792 1.00 0.00 H new ATOM 0 HG LEU A 350 4.275 33.758 7.853 1.00 0.00 H new ATOM 0 HD11 LEU A 350 6.638 34.484 7.857 1.00 0.00 H new ATOM 0 HD12 LEU A 350 5.544 35.745 7.241 1.00 0.00 H new ATOM 0 HD13 LEU A 350 6.202 35.865 8.891 1.00 0.00 H new ATOM 0 HD21 LEU A 350 5.855 32.828 9.526 1.00 0.00 H new ATOM 0 HD22 LEU A 350 5.351 34.084 10.683 1.00 0.00 H new ATOM 0 HD23 LEU A 350 4.180 32.864 10.129 1.00 0.00 H new ATOM 709 N LYS A 351 1.429 36.677 10.772 1.00 0.00 N ATOM 710 CA LYS A 351 0.471 37.727 11.144 1.00 0.00 C ATOM 711 C LYS A 351 1.253 39.039 11.404 1.00 0.00 C ATOM 712 O LYS A 351 1.787 39.221 12.505 1.00 0.00 O ATOM 713 CB LYS A 351 -0.370 37.283 12.387 1.00 0.00 C ATOM 714 CG LYS A 351 -1.690 38.061 12.587 1.00 0.00 C ATOM 715 CD LYS A 351 -2.676 37.883 11.403 1.00 0.00 C ATOM 716 CE LYS A 351 -4.003 38.641 11.609 1.00 0.00 C ATOM 717 NZ LYS A 351 -4.776 38.119 12.766 1.00 0.00 N ATOM 0 H LYS A 351 2.369 36.823 11.141 1.00 0.00 H new ATOM 0 HA LYS A 351 -0.237 37.900 10.334 1.00 0.00 H new ATOM 0 HB2 LYS A 351 -0.601 36.222 12.292 1.00 0.00 H new ATOM 0 HB3 LYS A 351 0.242 37.397 13.282 1.00 0.00 H new ATOM 0 HG2 LYS A 351 -2.169 37.725 13.507 1.00 0.00 H new ATOM 0 HG3 LYS A 351 -1.467 39.121 12.712 1.00 0.00 H new ATOM 0 HD2 LYS A 351 -2.202 38.233 10.486 1.00 0.00 H new ATOM 0 HD3 LYS A 351 -2.886 36.822 11.268 1.00 0.00 H new ATOM 0 HE2 LYS A 351 -3.794 39.700 11.762 1.00 0.00 H new ATOM 0 HE3 LYS A 351 -4.608 38.563 10.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 -5.703 38.589 12.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 -4.912 37.093 12.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 -4.255 38.309 13.646 1.00 0.00 H new ATOM 731 N PRO A 352 1.396 39.957 10.380 1.00 0.00 N ATOM 732 CA PRO A 352 0.813 39.815 9.013 1.00 0.00 C ATOM 733 C PRO A 352 1.685 38.920 8.086 1.00 0.00 C ATOM 734 O PRO A 352 2.864 38.677 8.396 1.00 0.00 O ATOM 735 CB PRO A 352 0.781 41.290 8.531 1.00 0.00 C ATOM 736 CG PRO A 352 2.003 41.902 9.144 1.00 0.00 C ATOM 737 CD PRO A 352 2.179 41.221 10.494 1.00 0.00 C ATOM 0 HA PRO A 352 -0.160 39.323 9.003 1.00 0.00 H new ATOM 0 HB2 PRO A 352 0.806 41.354 7.443 1.00 0.00 H new ATOM 0 HB3 PRO A 352 -0.126 41.797 8.860 1.00 0.00 H new ATOM 0 HG2 PRO A 352 2.877 41.746 8.511 1.00 0.00 H new ATOM 0 HG3 PRO A 352 1.883 42.979 9.263 1.00 0.00 H new ATOM 0 HD2 PRO A 352 3.230 41.019 10.703 1.00 0.00 H new ATOM 0 HD3 PRO A 352 1.807 41.846 11.305 1.00 0.00 H new ATOM 745 N PRO A 353 1.116 38.388 6.947 1.00 0.00 N ATOM 746 CA PRO A 353 1.890 37.577 5.976 1.00 0.00 C ATOM 747 C PRO A 353 3.034 38.387 5.332 1.00 0.00 C ATOM 748 O PRO A 353 2.826 39.527 4.897 1.00 0.00 O ATOM 749 CB PRO A 353 0.825 37.137 4.924 1.00 0.00 C ATOM 750 CG PRO A 353 -0.281 38.137 5.065 1.00 0.00 C ATOM 751 CD PRO A 353 -0.315 38.500 6.532 1.00 0.00 C ATOM 0 HA PRO A 353 2.387 36.728 6.446 1.00 0.00 H new ATOM 0 HB2 PRO A 353 1.238 37.143 3.915 1.00 0.00 H new ATOM 0 HB3 PRO A 353 0.471 36.124 5.118 1.00 0.00 H new ATOM 0 HG2 PRO A 353 -0.096 39.016 4.448 1.00 0.00 H new ATOM 0 HG3 PRO A 353 -1.234 37.716 4.743 1.00 0.00 H new ATOM 0 HD2 PRO A 353 -0.702 39.507 6.688 1.00 0.00 H new ATOM 0 HD3 PRO A 353 -0.953 37.822 7.099 1.00 0.00 H new ATOM 759 N LEU A 354 4.245 37.808 5.304 1.00 0.00 N ATOM 760 CA LEU A 354 5.426 38.445 4.688 1.00 0.00 C ATOM 761 C LEU A 354 5.528 38.058 3.202 1.00 0.00 C ATOM 762 O LEU A 354 5.148 36.944 2.825 1.00 0.00 O ATOM 763 CB LEU A 354 6.726 38.055 5.450 1.00 0.00 C ATOM 764 CG LEU A 354 6.813 38.532 6.938 1.00 0.00 C ATOM 765 CD1 LEU A 354 8.160 38.117 7.578 1.00 0.00 C ATOM 766 CD2 LEU A 354 6.578 40.057 7.075 1.00 0.00 C ATOM 0 H LEU A 354 4.435 36.890 5.705 1.00 0.00 H new ATOM 0 HA LEU A 354 5.308 39.526 4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 354 6.825 36.970 5.430 1.00 0.00 H new ATOM 0 HB3 LEU A 354 7.579 38.463 4.907 1.00 0.00 H new ATOM 0 HG LEU A 354 6.010 38.034 7.482 1.00 0.00 H new ATOM 0 HD11 LEU A 354 8.193 38.461 8.612 1.00 0.00 H new ATOM 0 HD12 LEU A 354 8.255 37.031 7.554 1.00 0.00 H new ATOM 0 HD13 LEU A 354 8.982 38.566 7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 354 6.648 40.343 8.124 1.00 0.00 H new ATOM 0 HD22 LEU A 354 7.333 40.594 6.502 1.00 0.00 H new ATOM 0 HD23 LEU A 354 5.588 40.308 6.695 1.00 0.00 H new ATOM 778 N THR A 355 6.038 38.986 2.373 1.00 0.00 N ATOM 779 CA THR A 355 6.173 38.782 0.915 1.00 0.00 C ATOM 780 C THR A 355 7.300 37.771 0.604 1.00 0.00 C ATOM 781 O THR A 355 7.177 36.937 -0.299 1.00 0.00 O ATOM 782 CB THR A 355 6.429 40.147 0.163 1.00 0.00 C ATOM 783 OG1 THR A 355 6.535 39.930 -1.254 1.00 0.00 O ATOM 784 CG2 THR A 355 7.692 40.882 0.659 1.00 0.00 C ATOM 0 H THR A 355 6.368 39.897 2.691 1.00 0.00 H new ATOM 0 HA THR A 355 5.231 38.372 0.551 1.00 0.00 H new ATOM 0 HB THR A 355 5.570 40.781 0.384 1.00 0.00 H new ATOM 0 HG1 THR A 355 6.692 40.786 -1.705 1.00 0.00 H new ATOM 0 HG21 THR A 355 7.813 41.812 0.104 1.00 0.00 H new ATOM 0 HG22 THR A 355 7.590 41.104 1.721 1.00 0.00 H new ATOM 0 HG23 THR A 355 8.566 40.250 0.503 1.00 0.00 H new ATOM 792 N SER A 356 8.378 37.847 1.396 1.00 0.00 N ATOM 793 CA SER A 356 9.586 37.021 1.239 1.00 0.00 C ATOM 794 C SER A 356 10.236 36.808 2.622 1.00 0.00 C ATOM 795 O SER A 356 9.657 37.193 3.652 1.00 0.00 O ATOM 796 CB SER A 356 10.574 37.714 0.260 1.00 0.00 C ATOM 797 OG SER A 356 9.999 37.907 -1.029 1.00 0.00 O ATOM 0 H SER A 356 8.437 38.497 2.180 1.00 0.00 H new ATOM 0 HA SER A 356 9.322 36.049 0.822 1.00 0.00 H new ATOM 0 HB2 SER A 356 10.876 38.678 0.671 1.00 0.00 H new ATOM 0 HB3 SER A 356 11.477 37.110 0.168 1.00 0.00 H new ATOM 0 HG SER A 356 10.650 38.347 -1.615 1.00 0.00 H new ATOM 803 N VAL A 357 11.421 36.172 2.647 1.00 0.00 N ATOM 804 CA VAL A 357 12.204 36.018 3.881 1.00 0.00 C ATOM 805 C VAL A 357 12.738 37.412 4.338 1.00 0.00 C ATOM 806 O VAL A 357 13.301 38.150 3.518 1.00 0.00 O ATOM 807 CB VAL A 357 13.368 34.968 3.681 1.00 0.00 C ATOM 808 CG1 VAL A 357 14.349 35.361 2.544 1.00 0.00 C ATOM 809 CG2 VAL A 357 14.120 34.707 5.004 1.00 0.00 C ATOM 0 H VAL A 357 11.856 35.756 1.823 1.00 0.00 H new ATOM 0 HA VAL A 357 11.563 35.627 4.671 1.00 0.00 H new ATOM 0 HB VAL A 357 12.893 34.038 3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 357 15.126 34.602 2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 357 13.804 35.435 1.603 1.00 0.00 H new ATOM 0 HG13 VAL A 357 14.807 36.323 2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 357 14.915 33.981 4.834 1.00 0.00 H new ATOM 0 HG22 VAL A 357 14.553 35.639 5.367 1.00 0.00 H new ATOM 0 HG23 VAL A 357 13.425 34.317 5.747 1.00 0.00 H new ATOM 819 N PRO A 358 12.509 37.821 5.635 1.00 0.00 N ATOM 820 CA PRO A 358 12.931 39.158 6.162 1.00 0.00 C ATOM 821 C PRO A 358 14.473 39.344 6.140 1.00 0.00 C ATOM 822 O PRO A 358 15.203 38.356 6.029 1.00 0.00 O ATOM 823 CB PRO A 358 12.363 39.155 7.617 1.00 0.00 C ATOM 824 CG PRO A 358 12.254 37.709 7.969 1.00 0.00 C ATOM 825 CD PRO A 358 11.819 37.027 6.693 1.00 0.00 C ATOM 0 HA PRO A 358 12.560 39.986 5.558 1.00 0.00 H new ATOM 0 HB2 PRO A 358 13.025 39.682 8.303 1.00 0.00 H new ATOM 0 HB3 PRO A 358 11.393 39.650 7.666 1.00 0.00 H new ATOM 0 HG2 PRO A 358 13.208 37.316 8.321 1.00 0.00 H new ATOM 0 HG3 PRO A 358 11.529 37.551 8.768 1.00 0.00 H new ATOM 0 HD2 PRO A 358 12.120 35.980 6.672 1.00 0.00 H new ATOM 0 HD3 PRO A 358 10.736 37.050 6.572 1.00 0.00 H new ATOM 833 N PRO A 359 15.006 40.612 6.283 1.00 0.00 N ATOM 834 CA PRO A 359 16.479 40.878 6.256 1.00 0.00 C ATOM 835 C PRO A 359 17.230 40.270 7.476 1.00 0.00 C ATOM 836 O PRO A 359 18.465 40.345 7.563 1.00 0.00 O ATOM 837 CB PRO A 359 16.562 42.430 6.252 1.00 0.00 C ATOM 838 CG PRO A 359 15.303 42.866 6.930 1.00 0.00 C ATOM 839 CD PRO A 359 14.242 41.883 6.487 1.00 0.00 C ATOM 0 HA PRO A 359 16.961 40.415 5.395 1.00 0.00 H new ATOM 0 HB2 PRO A 359 17.445 42.783 6.786 1.00 0.00 H new ATOM 0 HB3 PRO A 359 16.625 42.823 5.237 1.00 0.00 H new ATOM 0 HG2 PRO A 359 15.418 42.857 8.014 1.00 0.00 H new ATOM 0 HG3 PRO A 359 15.037 43.884 6.646 1.00 0.00 H new ATOM 0 HD2 PRO A 359 13.463 41.766 7.241 1.00 0.00 H new ATOM 0 HD3 PRO A 359 13.752 42.208 5.569 1.00 0.00 H new ATOM 847 N GLU A 360 16.462 39.704 8.425 1.00 0.00 N ATOM 848 CA GLU A 360 16.982 38.966 9.582 1.00 0.00 C ATOM 849 C GLU A 360 17.072 37.462 9.230 1.00 0.00 C ATOM 850 O GLU A 360 16.032 36.822 9.006 1.00 0.00 O ATOM 851 CB GLU A 360 16.043 39.192 10.789 1.00 0.00 C ATOM 852 CG GLU A 360 15.806 40.679 11.112 1.00 0.00 C ATOM 853 CD GLU A 360 14.713 40.905 12.172 1.00 0.00 C ATOM 854 OE1 GLU A 360 13.507 40.873 11.817 1.00 0.00 O ATOM 855 OE2 GLU A 360 15.049 41.100 13.356 1.00 0.00 O ATOM 0 H GLU A 360 15.443 39.750 8.405 1.00 0.00 H new ATOM 0 HA GLU A 360 17.979 39.322 9.841 1.00 0.00 H new ATOM 0 HB2 GLU A 360 15.084 38.715 10.588 1.00 0.00 H new ATOM 0 HB3 GLU A 360 16.466 38.701 11.665 1.00 0.00 H new ATOM 0 HG2 GLU A 360 16.739 41.121 11.462 1.00 0.00 H new ATOM 0 HG3 GLU A 360 15.529 41.203 10.197 1.00 0.00 H new ATOM 862 N PRO A 361 18.311 36.883 9.149 1.00 0.00 N ATOM 863 CA PRO A 361 18.512 35.453 8.814 1.00 0.00 C ATOM 864 C PRO A 361 18.092 34.506 9.967 1.00 0.00 C ATOM 865 O PRO A 361 17.645 33.375 9.730 1.00 0.00 O ATOM 866 CB PRO A 361 20.030 35.377 8.513 1.00 0.00 C ATOM 867 CG PRO A 361 20.634 36.479 9.330 1.00 0.00 C ATOM 868 CD PRO A 361 19.606 37.590 9.355 1.00 0.00 C ATOM 0 HA PRO A 361 17.894 35.125 7.978 1.00 0.00 H new ATOM 0 HB2 PRO A 361 20.441 34.407 8.791 1.00 0.00 H new ATOM 0 HB3 PRO A 361 20.231 35.516 7.451 1.00 0.00 H new ATOM 0 HG2 PRO A 361 20.863 36.136 10.339 1.00 0.00 H new ATOM 0 HG3 PRO A 361 21.570 36.823 8.890 1.00 0.00 H new ATOM 0 HD2 PRO A 361 19.621 38.128 10.303 1.00 0.00 H new ATOM 0 HD3 PRO A 361 19.791 38.323 8.570 1.00 0.00 H new ATOM 876 N GLU A 362 18.236 34.999 11.212 1.00 0.00 N ATOM 877 CA GLU A 362 17.795 34.301 12.434 1.00 0.00 C ATOM 878 C GLU A 362 16.267 34.471 12.591 1.00 0.00 C ATOM 879 O GLU A 362 15.782 35.364 13.299 1.00 0.00 O ATOM 880 CB GLU A 362 18.575 34.857 13.668 1.00 0.00 C ATOM 881 CG GLU A 362 18.550 36.397 13.784 1.00 0.00 C ATOM 882 CD GLU A 362 19.390 36.949 14.942 1.00 0.00 C ATOM 883 OE1 GLU A 362 20.486 37.497 14.699 1.00 0.00 O ATOM 884 OE2 GLU A 362 18.957 36.827 16.107 1.00 0.00 O ATOM 0 H GLU A 362 18.667 35.904 11.399 1.00 0.00 H new ATOM 0 HA GLU A 362 18.011 33.235 12.363 1.00 0.00 H new ATOM 0 HB2 GLU A 362 18.152 34.427 14.576 1.00 0.00 H new ATOM 0 HB3 GLU A 362 19.611 34.524 13.610 1.00 0.00 H new ATOM 0 HG2 GLU A 362 18.911 36.827 12.850 1.00 0.00 H new ATOM 0 HG3 GLU A 362 17.518 36.725 13.909 1.00 0.00 H new ATOM 891 N TRP A 363 15.506 33.630 11.866 1.00 0.00 N ATOM 892 CA TRP A 363 14.050 33.764 11.813 1.00 0.00 C ATOM 893 C TRP A 363 13.416 33.264 13.118 1.00 0.00 C ATOM 894 O TRP A 363 13.476 32.066 13.448 1.00 0.00 O ATOM 895 CB TRP A 363 13.407 33.048 10.586 1.00 0.00 C ATOM 896 CG TRP A 363 11.980 33.510 10.370 1.00 0.00 C ATOM 897 CD1 TRP A 363 11.590 34.620 9.679 1.00 0.00 C ATOM 898 CD2 TRP A 363 10.776 32.924 10.892 1.00 0.00 C ATOM 899 NE1 TRP A 363 10.233 34.763 9.743 1.00 0.00 N ATOM 900 CE2 TRP A 363 9.711 33.739 10.480 1.00 0.00 C ATOM 901 CE3 TRP A 363 10.495 31.794 11.668 1.00 0.00 C ATOM 902 CZ2 TRP A 363 8.396 33.467 10.817 1.00 0.00 C ATOM 903 CZ3 TRP A 363 9.181 31.522 11.996 1.00 0.00 C ATOM 904 CH2 TRP A 363 8.148 32.362 11.575 1.00 0.00 C ATOM 0 H TRP A 363 15.878 32.857 11.314 1.00 0.00 H new ATOM 0 HA TRP A 363 13.844 34.828 11.692 1.00 0.00 H new ATOM 0 HB2 TRP A 363 13.997 33.251 9.692 1.00 0.00 H new ATOM 0 HB3 TRP A 363 13.424 31.969 10.741 1.00 0.00 H new ATOM 0 HD1 TRP A 363 12.258 35.289 9.157 1.00 0.00 H new ATOM 0 HE1 TRP A 363 9.696 35.514 9.310 1.00 0.00 H new ATOM 0 HE3 TRP A 363 11.291 31.146 12.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 363 7.592 34.110 10.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 363 8.949 30.648 12.586 1.00 0.00 H new ATOM 0 HH2 TRP A 363 7.131 32.131 11.856 1.00 0.00 H new ATOM 915 N TYR A 364 12.817 34.206 13.854 1.00 0.00 N ATOM 916 CA TYR A 364 12.001 33.919 15.030 1.00 0.00 C ATOM 917 C TYR A 364 10.546 34.288 14.729 1.00 0.00 C ATOM 918 O TYR A 364 10.269 35.263 14.015 1.00 0.00 O ATOM 919 CB TYR A 364 12.531 34.680 16.271 1.00 0.00 C ATOM 920 CG TYR A 364 13.950 34.239 16.683 1.00 0.00 C ATOM 921 CD1 TYR A 364 15.046 35.103 16.580 1.00 0.00 C ATOM 922 CD2 TYR A 364 14.187 32.940 17.148 1.00 0.00 C ATOM 923 CE1 TYR A 364 16.316 34.687 16.934 1.00 0.00 C ATOM 924 CE2 TYR A 364 15.454 32.527 17.503 1.00 0.00 C ATOM 925 CZ TYR A 364 16.514 33.401 17.392 1.00 0.00 C ATOM 926 OH TYR A 364 17.779 32.982 17.750 1.00 0.00 O ATOM 0 H TYR A 364 12.889 35.201 13.644 1.00 0.00 H new ATOM 0 HA TYR A 364 12.058 32.855 15.260 1.00 0.00 H new ATOM 0 HB2 TYR A 364 12.535 35.750 16.061 1.00 0.00 H new ATOM 0 HB3 TYR A 364 11.849 34.522 17.107 1.00 0.00 H new ATOM 0 HD1 TYR A 364 14.898 36.110 16.219 1.00 0.00 H new ATOM 0 HD2 TYR A 364 13.362 32.248 17.230 1.00 0.00 H new ATOM 0 HE1 TYR A 364 17.151 35.367 16.852 1.00 0.00 H new ATOM 0 HE2 TYR A 364 15.615 31.523 17.867 1.00 0.00 H new ATOM 0 HH TYR A 364 17.742 32.050 18.052 1.00 0.00 H new ATOM 936 N CYS A 365 9.628 33.480 15.255 1.00 0.00 N ATOM 937 CA CYS A 365 8.182 33.669 15.078 1.00 0.00 C ATOM 938 C CYS A 365 7.675 34.829 15.958 1.00 0.00 C ATOM 939 O CYS A 365 8.313 35.146 16.972 1.00 0.00 O ATOM 940 CB CYS A 365 7.459 32.360 15.452 1.00 0.00 C ATOM 941 SG CYS A 365 7.593 31.907 17.216 1.00 0.00 S ATOM 0 H CYS A 365 9.865 32.666 15.822 1.00 0.00 H new ATOM 0 HA CYS A 365 7.974 33.920 14.038 1.00 0.00 H new ATOM 0 HB2 CYS A 365 6.405 32.454 15.192 1.00 0.00 H new ATOM 0 HB3 CYS A 365 7.866 31.549 14.848 1.00 0.00 H new ATOM 0 HG CYS A 365 8.758 32.265 17.669 1.00 0.00 H new ATOM 946 N PRO A 366 6.524 35.489 15.596 1.00 0.00 N ATOM 947 CA PRO A 366 5.843 36.454 16.504 1.00 0.00 C ATOM 948 C PRO A 366 5.456 35.783 17.842 1.00 0.00 C ATOM 949 O PRO A 366 5.410 36.428 18.889 1.00 0.00 O ATOM 950 CB PRO A 366 4.592 36.899 15.685 1.00 0.00 C ATOM 951 CG PRO A 366 4.415 35.841 14.633 1.00 0.00 C ATOM 952 CD PRO A 366 5.812 35.388 14.285 1.00 0.00 C ATOM 0 HA PRO A 366 6.473 37.297 16.789 1.00 0.00 H new ATOM 0 HB2 PRO A 366 3.710 36.973 16.322 1.00 0.00 H new ATOM 0 HB3 PRO A 366 4.744 37.880 15.235 1.00 0.00 H new ATOM 0 HG2 PRO A 366 3.814 35.012 15.006 1.00 0.00 H new ATOM 0 HG3 PRO A 366 3.901 36.239 13.758 1.00 0.00 H new ATOM 0 HD2 PRO A 366 5.823 34.370 13.895 1.00 0.00 H new ATOM 0 HD3 PRO A 366 6.267 36.025 13.526 1.00 0.00 H new ATOM 960 N SER A 367 5.249 34.456 17.779 1.00 0.00 N ATOM 961 CA SER A 367 4.893 33.612 18.927 1.00 0.00 C ATOM 962 C SER A 367 6.050 33.478 19.963 1.00 0.00 C ATOM 963 O SER A 367 5.843 32.944 21.051 1.00 0.00 O ATOM 964 CB SER A 367 4.458 32.230 18.403 1.00 0.00 C ATOM 965 OG SER A 367 3.559 32.362 17.313 1.00 0.00 O ATOM 0 H SER A 367 5.327 33.931 16.908 1.00 0.00 H new ATOM 0 HA SER A 367 4.072 34.089 19.462 1.00 0.00 H new ATOM 0 HB2 SER A 367 5.335 31.663 18.090 1.00 0.00 H new ATOM 0 HB3 SER A 367 3.983 31.665 19.205 1.00 0.00 H new ATOM 0 HG SER A 367 3.297 31.473 16.995 1.00 0.00 H new ATOM 971 N CYS A 368 7.263 33.963 19.611 1.00 0.00 N ATOM 972 CA CYS A 368 8.419 34.009 20.539 1.00 0.00 C ATOM 973 C CYS A 368 8.292 35.185 21.536 1.00 0.00 C ATOM 974 O CYS A 368 8.817 35.111 22.650 1.00 0.00 O ATOM 975 CB CYS A 368 9.763 34.119 19.747 1.00 0.00 C ATOM 976 SG CYS A 368 10.616 32.541 19.430 1.00 0.00 S ATOM 0 H CYS A 368 7.468 34.331 18.682 1.00 0.00 H new ATOM 0 HA CYS A 368 8.421 33.078 21.107 1.00 0.00 H new ATOM 0 HB2 CYS A 368 9.563 34.603 18.791 1.00 0.00 H new ATOM 0 HB3 CYS A 368 10.438 34.773 20.300 1.00 0.00 H new ATOM 0 HG CYS A 368 11.117 32.088 20.541 1.00 0.00 H new