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 338 CYS SG : rot -109:sc= 1.26 USER MOD Set 1.2: A 341 CYS SG : rot 80:sc= 0.702 USER MOD Set 1.3: A 365 CYS SG : rot -34:sc= -1.67! USER MOD Set 1.4: A 368 CYS SG : rot -118:sc= -2.39 USER MOD Set 2.1: A 334 LYS NZ :NH3+ -151:sc= 1.27 (180deg=-0.218) USER MOD Set 2.2: A 348 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 323 CYS SG : rot -156:sc= -0.106 USER MOD Set 3.2: A 326 CYS SG : rot -65:sc= 0.28 USER MOD Set 3.3: A 346 HIS : no HD1:sc= -1.42 K(o=-4.8,f=-5.9!) USER MOD Set 3.4: A 349 CYS SG : rot -144:sc= -3.57! USER MOD Single : A 324 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 335 GLN : amide:sc= -0.348 K(o=-0.35,f=-3.7!) USER MOD Single : A 343 MET CE :methyl 145:sc= -0.648 (180deg=-2.68!) USER MOD Single : A 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 355 THR OG1 : rot 180:sc= 0 USER MOD Single : A 356 SER OG : rot 180:sc= -0.101 USER MOD Single : A 364 TYR OH : rot 104:sc= 0.189 USER MOD Single : A 367 SER OG : rot 180:sc= 0.00458 USER MOD ----------------------------------------------------------------- ATOM 285 N ALA A 322 6.394 19.597 10.051 1.00 0.00 N ATOM 286 CA ALA A 322 5.338 20.362 9.386 1.00 0.00 C ATOM 287 C ALA A 322 5.145 21.738 10.029 1.00 0.00 C ATOM 288 O ALA A 322 5.801 22.096 11.017 1.00 0.00 O ATOM 289 CB ALA A 322 4.007 19.587 9.411 1.00 0.00 C ATOM 0 HA ALA A 322 5.650 20.509 8.352 1.00 0.00 H new ATOM 0 HB1 ALA A 322 3.235 20.173 8.912 1.00 0.00 H new ATOM 0 HB2 ALA A 322 4.131 18.635 8.895 1.00 0.00 H new ATOM 0 HB3 ALA A 322 3.712 19.404 10.444 1.00 0.00 H new ATOM 295 N CYS A 323 4.212 22.476 9.438 1.00 0.00 N ATOM 296 CA CYS A 323 3.747 23.779 9.896 1.00 0.00 C ATOM 297 C CYS A 323 2.324 23.623 10.439 1.00 0.00 C ATOM 298 O CYS A 323 1.354 23.607 9.669 1.00 0.00 O ATOM 299 CB CYS A 323 3.830 24.779 8.724 1.00 0.00 C ATOM 300 SG CYS A 323 2.742 26.224 8.840 1.00 0.00 S ATOM 0 H CYS A 323 3.738 22.168 8.589 1.00 0.00 H new ATOM 0 HA CYS A 323 4.370 24.168 10.701 1.00 0.00 H new ATOM 0 HB2 CYS A 323 4.859 25.129 8.642 1.00 0.00 H new ATOM 0 HB3 CYS A 323 3.599 24.247 7.801 1.00 0.00 H new ATOM 0 HG CYS A 323 2.513 26.691 7.649 1.00 0.00 H new ATOM 305 N HIS A 324 2.225 23.508 11.779 1.00 0.00 N ATOM 306 CA HIS A 324 0.989 23.135 12.507 1.00 0.00 C ATOM 307 C HIS A 324 -0.124 24.194 12.334 1.00 0.00 C ATOM 308 O HIS A 324 -1.314 23.879 12.463 1.00 0.00 O ATOM 309 CB HIS A 324 1.325 22.919 14.013 1.00 0.00 C ATOM 310 CG HIS A 324 0.192 22.370 14.850 1.00 0.00 C ATOM 311 ND1 HIS A 324 -0.791 23.153 15.419 1.00 0.00 N ATOM 312 CD2 HIS A 324 -0.112 21.088 15.198 1.00 0.00 C ATOM 313 CE1 HIS A 324 -1.627 22.351 16.086 1.00 0.00 C ATOM 314 NE2 HIS A 324 -1.262 21.087 15.979 1.00 0.00 N ATOM 0 H HIS A 324 3.017 23.675 12.400 1.00 0.00 H new ATOM 0 HA HIS A 324 0.605 22.207 12.084 1.00 0.00 H new ATOM 0 HB2 HIS A 324 2.173 22.238 14.086 1.00 0.00 H new ATOM 0 HB3 HIS A 324 1.643 23.871 14.439 1.00 0.00 H new ATOM 0 HD2 HIS A 324 0.451 20.212 14.912 1.00 0.00 H new ATOM 0 HE1 HIS A 324 -2.489 22.693 16.640 1.00 0.00 H new ATOM 0 HE2 HIS A 324 -1.728 20.276 16.386 1.00 0.00 H new ATOM 322 N VAL A 325 0.291 25.434 11.999 1.00 0.00 N ATOM 323 CA VAL A 325 -0.612 26.583 11.788 1.00 0.00 C ATOM 324 C VAL A 325 -1.697 26.258 10.729 1.00 0.00 C ATOM 325 O VAL A 325 -2.877 26.561 10.923 1.00 0.00 O ATOM 326 CB VAL A 325 0.189 27.872 11.353 1.00 0.00 C ATOM 327 CG1 VAL A 325 -0.728 29.110 11.180 1.00 0.00 C ATOM 328 CG2 VAL A 325 1.324 28.182 12.352 1.00 0.00 C ATOM 0 H VAL A 325 1.275 25.667 11.866 1.00 0.00 H new ATOM 0 HA VAL A 325 -1.102 26.783 12.741 1.00 0.00 H new ATOM 0 HB VAL A 325 0.626 27.652 10.379 1.00 0.00 H new ATOM 0 HG11 VAL A 325 -0.127 29.969 10.880 1.00 0.00 H new ATOM 0 HG12 VAL A 325 -1.475 28.905 10.414 1.00 0.00 H new ATOM 0 HG13 VAL A 325 -1.227 29.328 12.124 1.00 0.00 H new ATOM 0 HG21 VAL A 325 1.860 29.074 12.029 1.00 0.00 H new ATOM 0 HG22 VAL A 325 0.901 28.352 13.342 1.00 0.00 H new ATOM 0 HG23 VAL A 325 2.014 27.339 12.392 1.00 0.00 H new ATOM 338 N CYS A 326 -1.278 25.615 9.625 1.00 0.00 N ATOM 339 CA CYS A 326 -2.201 25.163 8.554 1.00 0.00 C ATOM 340 C CYS A 326 -2.231 23.625 8.469 1.00 0.00 C ATOM 341 O CYS A 326 -3.034 23.068 7.714 1.00 0.00 O ATOM 342 CB CYS A 326 -1.779 25.746 7.186 1.00 0.00 C ATOM 343 SG CYS A 326 -0.162 25.167 6.584 1.00 0.00 S ATOM 0 H CYS A 326 -0.299 25.392 9.445 1.00 0.00 H new ATOM 0 HA CYS A 326 -3.199 25.524 8.803 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -2.539 25.492 6.447 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -1.757 26.833 7.260 1.00 0.00 H new ATOM 0 HG CYS A 326 0.773 25.582 7.386 1.00 0.00 H new ATOM 348 N GLY A 327 -1.363 22.952 9.256 1.00 0.00 N ATOM 349 CA GLY A 327 -1.180 21.494 9.172 1.00 0.00 C ATOM 350 C GLY A 327 -0.586 21.044 7.838 1.00 0.00 C ATOM 351 O GLY A 327 -0.993 20.017 7.275 1.00 0.00 O ATOM 0 H GLY A 327 -0.777 23.402 9.959 1.00 0.00 H new ATOM 0 HA2 GLY A 327 -0.528 21.168 9.982 1.00 0.00 H new ATOM 0 HA3 GLY A 327 -2.142 21.003 9.319 1.00 0.00 H new ATOM 355 N GLY A 328 0.395 21.815 7.335 1.00 0.00 N ATOM 356 CA GLY A 328 0.932 21.621 5.985 1.00 0.00 C ATOM 357 C GLY A 328 2.444 21.770 5.905 1.00 0.00 C ATOM 358 O GLY A 328 3.053 22.428 6.747 1.00 0.00 O ATOM 0 H GLY A 328 0.831 22.580 7.850 1.00 0.00 H new ATOM 0 HA2 GLY A 328 0.654 20.628 5.631 1.00 0.00 H new ATOM 0 HA3 GLY A 328 0.468 22.341 5.311 1.00 0.00 H new ATOM 362 N ARG A 329 3.035 21.160 4.866 1.00 0.00 N ATOM 363 CA ARG A 329 4.494 21.176 4.587 1.00 0.00 C ATOM 364 C ARG A 329 4.782 21.855 3.230 1.00 0.00 C ATOM 365 O ARG A 329 5.939 21.949 2.804 1.00 0.00 O ATOM 366 CB ARG A 329 5.011 19.711 4.549 1.00 0.00 C ATOM 367 CG ARG A 329 4.969 18.980 5.908 1.00 0.00 C ATOM 368 CD ARG A 329 5.307 17.487 5.786 1.00 0.00 C ATOM 369 NE ARG A 329 4.272 16.752 5.035 1.00 0.00 N ATOM 370 CZ ARG A 329 4.500 15.783 4.139 1.00 0.00 C ATOM 371 NH1 ARG A 329 5.737 15.441 3.804 1.00 0.00 N ATOM 372 NH2 ARG A 329 3.489 15.172 3.563 1.00 0.00 N ATOM 0 H ARG A 329 2.506 20.627 4.176 1.00 0.00 H new ATOM 0 HA ARG A 329 5.001 21.739 5.371 1.00 0.00 H new ATOM 0 HB2 ARG A 329 4.416 19.148 3.830 1.00 0.00 H new ATOM 0 HB3 ARG A 329 6.038 19.711 4.183 1.00 0.00 H new ATOM 0 HG2 ARG A 329 5.673 19.453 6.593 1.00 0.00 H new ATOM 0 HG3 ARG A 329 3.976 19.090 6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 329 6.269 17.372 5.287 1.00 0.00 H new ATOM 0 HD3 ARG A 329 5.410 17.055 6.781 1.00 0.00 H new ATOM 0 HE ARG A 329 3.300 17.003 5.213 1.00 0.00 H new ATOM 0 HH11 ARG A 329 6.531 15.918 4.230 1.00 0.00 H new ATOM 0 HH12 ARG A 329 5.894 14.701 3.120 1.00 0.00 H new ATOM 0 HH21 ARG A 329 2.532 15.436 3.799 1.00 0.00 H new ATOM 0 HH22 ARG A 329 3.661 14.434 2.880 1.00 0.00 H new ATOM 386 N GLU A 330 3.728 22.364 2.587 1.00 0.00 N ATOM 387 CA GLU A 330 3.738 22.700 1.154 1.00 0.00 C ATOM 388 C GLU A 330 4.337 24.088 0.880 1.00 0.00 C ATOM 389 O GLU A 330 4.313 24.956 1.754 1.00 0.00 O ATOM 390 CB GLU A 330 2.303 22.574 0.580 1.00 0.00 C ATOM 391 CG GLU A 330 1.626 21.217 0.903 1.00 0.00 C ATOM 392 CD GLU A 330 0.932 21.127 2.271 1.00 0.00 C ATOM 393 OE1 GLU A 330 0.381 22.142 2.746 1.00 0.00 O ATOM 394 OE2 GLU A 330 0.911 20.032 2.874 1.00 0.00 O ATOM 0 H GLU A 330 2.837 22.557 3.045 1.00 0.00 H new ATOM 0 HA GLU A 330 4.388 21.988 0.645 1.00 0.00 H new ATOM 0 HB2 GLU A 330 1.689 23.382 0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 330 2.340 22.705 -0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 330 0.889 21.006 0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 330 2.381 20.433 0.847 1.00 0.00 H new ATOM 401 N ALA A 331 4.862 24.255 -0.357 1.00 0.00 N ATOM 402 CA ALA A 331 5.606 25.448 -0.801 1.00 0.00 C ATOM 403 C ALA A 331 6.972 25.545 -0.063 1.00 0.00 C ATOM 404 O ALA A 331 7.084 26.241 0.954 1.00 0.00 O ATOM 405 CB ALA A 331 4.761 26.739 -0.673 1.00 0.00 C ATOM 0 H ALA A 331 4.776 23.547 -1.086 1.00 0.00 H new ATOM 0 HA ALA A 331 5.819 25.340 -1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 331 5.348 27.593 -1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 331 3.864 26.649 -1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 331 4.475 26.885 0.369 1.00 0.00 H new ATOM 411 N PRO A 332 8.033 24.807 -0.570 1.00 0.00 N ATOM 412 CA PRO A 332 9.360 24.683 0.113 1.00 0.00 C ATOM 413 C PRO A 332 10.107 26.026 0.247 1.00 0.00 C ATOM 414 O PRO A 332 10.776 26.284 1.250 1.00 0.00 O ATOM 415 CB PRO A 332 10.142 23.687 -0.793 1.00 0.00 C ATOM 416 CG PRO A 332 9.482 23.794 -2.134 1.00 0.00 C ATOM 417 CD PRO A 332 8.018 24.026 -1.842 1.00 0.00 C ATOM 0 HA PRO A 332 9.251 24.343 1.143 1.00 0.00 H new ATOM 0 HB2 PRO A 332 11.199 23.949 -0.850 1.00 0.00 H new ATOM 0 HB3 PRO A 332 10.086 22.670 -0.404 1.00 0.00 H new ATOM 0 HG2 PRO A 332 9.902 24.615 -2.714 1.00 0.00 H new ATOM 0 HG3 PRO A 332 9.627 22.885 -2.717 1.00 0.00 H new ATOM 0 HD2 PRO A 332 7.532 24.578 -2.646 1.00 0.00 H new ATOM 0 HD3 PRO A 332 7.478 23.086 -1.729 1.00 0.00 H new ATOM 425 N GLU A 333 9.958 26.870 -0.782 1.00 0.00 N ATOM 426 CA GLU A 333 10.584 28.201 -0.847 1.00 0.00 C ATOM 427 C GLU A 333 9.949 29.177 0.168 1.00 0.00 C ATOM 428 O GLU A 333 10.520 30.232 0.463 1.00 0.00 O ATOM 429 CB GLU A 333 10.455 28.755 -2.289 1.00 0.00 C ATOM 430 CG GLU A 333 8.996 28.893 -2.781 1.00 0.00 C ATOM 431 CD GLU A 333 8.868 29.506 -4.182 1.00 0.00 C ATOM 432 OE1 GLU A 333 8.674 28.757 -5.164 1.00 0.00 O ATOM 433 OE2 GLU A 333 8.979 30.743 -4.305 1.00 0.00 O ATOM 0 H GLU A 333 9.394 26.648 -1.602 1.00 0.00 H new ATOM 0 HA GLU A 333 11.637 28.103 -0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 333 10.938 29.731 -2.337 1.00 0.00 H new ATOM 0 HB3 GLU A 333 10.997 28.098 -2.970 1.00 0.00 H new ATOM 0 HG2 GLU A 333 8.528 27.908 -2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 333 8.441 29.509 -2.073 1.00 0.00 H new ATOM 440 N LYS A 334 8.760 28.817 0.689 1.00 0.00 N ATOM 441 CA LYS A 334 8.009 29.655 1.644 1.00 0.00 C ATOM 442 C LYS A 334 8.116 29.082 3.076 1.00 0.00 C ATOM 443 O LYS A 334 7.575 29.672 4.018 1.00 0.00 O ATOM 444 CB LYS A 334 6.517 29.773 1.196 1.00 0.00 C ATOM 445 CG LYS A 334 6.312 29.962 -0.330 1.00 0.00 C ATOM 446 CD LYS A 334 6.858 31.295 -0.898 1.00 0.00 C ATOM 447 CE LYS A 334 6.039 32.505 -0.456 1.00 0.00 C ATOM 448 NZ LYS A 334 6.440 33.746 -1.159 1.00 0.00 N ATOM 0 H LYS A 334 8.294 27.939 0.460 1.00 0.00 H new ATOM 0 HA LYS A 334 8.445 30.654 1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 334 5.985 28.876 1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 334 6.061 30.615 1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 334 6.795 29.136 -0.852 1.00 0.00 H new ATOM 0 HG3 LYS A 334 5.246 29.899 -0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 334 7.892 31.425 -0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 334 6.865 31.245 -1.987 1.00 0.00 H new ATOM 0 HE2 LYS A 334 4.982 32.312 -0.640 1.00 0.00 H new ATOM 0 HE3 LYS A 334 6.155 32.646 0.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 6.259 34.566 -0.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 7.453 33.703 -1.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 5.890 33.841 -2.036 1.00 0.00 H new ATOM 462 N GLN A 335 8.817 27.934 3.232 1.00 0.00 N ATOM 463 CA GLN A 335 9.026 27.294 4.547 1.00 0.00 C ATOM 464 C GLN A 335 10.119 28.023 5.339 1.00 0.00 C ATOM 465 O GLN A 335 11.238 28.213 4.844 1.00 0.00 O ATOM 466 CB GLN A 335 9.400 25.791 4.413 1.00 0.00 C ATOM 467 CG GLN A 335 8.297 24.902 3.809 1.00 0.00 C ATOM 468 CD GLN A 335 8.626 23.410 3.888 1.00 0.00 C ATOM 469 OE1 GLN A 335 9.242 22.850 2.987 1.00 0.00 O ATOM 470 NE2 GLN A 335 8.207 22.752 4.966 1.00 0.00 N ATOM 0 H GLN A 335 9.249 27.432 2.456 1.00 0.00 H new ATOM 0 HA GLN A 335 8.080 27.362 5.083 1.00 0.00 H new ATOM 0 HB2 GLN A 335 10.294 25.707 3.795 1.00 0.00 H new ATOM 0 HB3 GLN A 335 9.658 25.406 5.400 1.00 0.00 H new ATOM 0 HG2 GLN A 335 7.359 25.090 4.331 1.00 0.00 H new ATOM 0 HG3 GLN A 335 8.143 25.180 2.766 1.00 0.00 H new ATOM 0 HE21 GLN A 335 7.697 23.246 5.699 1.00 0.00 H new ATOM 0 HE22 GLN A 335 8.396 21.754 5.060 1.00 0.00 H new ATOM 479 N LEU A 336 9.780 28.425 6.569 1.00 0.00 N ATOM 480 CA LEU A 336 10.713 29.036 7.522 1.00 0.00 C ATOM 481 C LEU A 336 10.647 28.274 8.846 1.00 0.00 C ATOM 482 O LEU A 336 9.618 28.283 9.529 1.00 0.00 O ATOM 483 CB LEU A 336 10.386 30.542 7.729 1.00 0.00 C ATOM 484 CG LEU A 336 10.916 31.502 6.625 1.00 0.00 C ATOM 485 CD1 LEU A 336 10.524 32.962 6.912 1.00 0.00 C ATOM 486 CD2 LEU A 336 12.442 31.369 6.482 1.00 0.00 C ATOM 0 H LEU A 336 8.833 28.333 6.936 1.00 0.00 H new ATOM 0 HA LEU A 336 11.726 28.975 7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 336 9.304 30.655 7.795 1.00 0.00 H new ATOM 0 HB3 LEU A 336 10.798 30.857 8.688 1.00 0.00 H new ATOM 0 HG LEU A 336 10.451 31.214 5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 336 10.910 33.605 6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 336 9.438 33.046 6.950 1.00 0.00 H new ATOM 0 HD13 LEU A 336 10.946 33.271 7.869 1.00 0.00 H new ATOM 0 HD21 LEU A 336 12.795 32.048 5.706 1.00 0.00 H new ATOM 0 HD22 LEU A 336 12.920 31.621 7.429 1.00 0.00 H new ATOM 0 HD23 LEU A 336 12.694 30.344 6.210 1.00 0.00 H new ATOM 498 N LEU A 337 11.758 27.617 9.197 1.00 0.00 N ATOM 499 CA LEU A 337 11.863 26.805 10.414 1.00 0.00 C ATOM 500 C LEU A 337 12.336 27.704 11.575 1.00 0.00 C ATOM 501 O LEU A 337 13.438 28.257 11.537 1.00 0.00 O ATOM 502 CB LEU A 337 12.830 25.596 10.205 1.00 0.00 C ATOM 503 CG LEU A 337 12.302 24.435 9.297 1.00 0.00 C ATOM 504 CD1 LEU A 337 12.088 24.872 7.827 1.00 0.00 C ATOM 505 CD2 LEU A 337 13.226 23.196 9.386 1.00 0.00 C ATOM 0 H LEU A 337 12.614 27.634 8.642 1.00 0.00 H new ATOM 0 HA LEU A 337 10.885 26.390 10.656 1.00 0.00 H new ATOM 0 HB2 LEU A 337 13.759 25.971 9.775 1.00 0.00 H new ATOM 0 HB3 LEU A 337 13.076 25.181 11.183 1.00 0.00 H new ATOM 0 HG LEU A 337 11.320 24.159 9.682 1.00 0.00 H new ATOM 0 HD11 LEU A 337 11.722 24.026 7.246 1.00 0.00 H new ATOM 0 HD12 LEU A 337 11.358 25.681 7.790 1.00 0.00 H new ATOM 0 HD13 LEU A 337 13.033 25.217 7.409 1.00 0.00 H new ATOM 0 HD21 LEU A 337 12.836 22.405 8.746 1.00 0.00 H new ATOM 0 HD22 LEU A 337 14.230 23.466 9.058 1.00 0.00 H new ATOM 0 HD23 LEU A 337 13.264 22.843 10.417 1.00 0.00 H new ATOM 517 N CYS A 338 11.458 27.863 12.575 1.00 0.00 N ATOM 518 CA CYS A 338 11.731 28.666 13.774 1.00 0.00 C ATOM 519 C CYS A 338 12.644 27.865 14.720 1.00 0.00 C ATOM 520 O CYS A 338 12.236 26.795 15.205 1.00 0.00 O ATOM 521 CB CYS A 338 10.400 29.031 14.467 1.00 0.00 C ATOM 522 SG CYS A 338 10.366 30.675 15.215 1.00 0.00 S ATOM 0 H CYS A 338 10.532 27.435 12.574 1.00 0.00 H new ATOM 0 HA CYS A 338 12.237 29.591 13.499 1.00 0.00 H new ATOM 0 HB2 CYS A 338 9.594 28.962 13.736 1.00 0.00 H new ATOM 0 HB3 CYS A 338 10.193 28.291 15.240 1.00 0.00 H new ATOM 0 HG CYS A 338 10.382 30.563 16.510 1.00 0.00 H new ATOM 527 N ASP A 339 13.851 28.397 14.968 1.00 0.00 N ATOM 528 CA ASP A 339 14.920 27.706 15.729 1.00 0.00 C ATOM 529 C ASP A 339 14.452 27.297 17.139 1.00 0.00 C ATOM 530 O ASP A 339 14.396 26.113 17.486 1.00 0.00 O ATOM 531 CB ASP A 339 16.163 28.638 15.840 1.00 0.00 C ATOM 532 CG ASP A 339 17.387 27.963 16.499 1.00 0.00 C ATOM 533 OD1 ASP A 339 17.555 28.070 17.734 1.00 0.00 O ATOM 534 OD2 ASP A 339 18.182 27.320 15.780 1.00 0.00 O ATOM 0 H ASP A 339 14.121 29.326 14.646 1.00 0.00 H new ATOM 0 HA ASP A 339 15.178 26.795 15.189 1.00 0.00 H new ATOM 0 HB2 ASP A 339 16.440 28.980 14.843 1.00 0.00 H new ATOM 0 HB3 ASP A 339 15.893 29.523 16.416 1.00 0.00 H new ATOM 539 N GLU A 340 14.106 28.318 17.908 1.00 0.00 N ATOM 540 CA GLU A 340 13.734 28.236 19.328 1.00 0.00 C ATOM 541 C GLU A 340 12.390 27.496 19.563 1.00 0.00 C ATOM 542 O GLU A 340 12.157 26.963 20.645 1.00 0.00 O ATOM 543 CB GLU A 340 13.709 29.696 19.895 1.00 0.00 C ATOM 544 CG GLU A 340 12.479 30.572 19.549 1.00 0.00 C ATOM 545 CD GLU A 340 12.055 30.534 18.067 1.00 0.00 C ATOM 546 OE1 GLU A 340 12.875 30.776 17.179 1.00 0.00 O ATOM 547 OE2 GLU A 340 10.902 30.215 17.799 1.00 0.00 O ATOM 0 H GLU A 340 14.073 29.273 17.551 1.00 0.00 H new ATOM 0 HA GLU A 340 14.473 27.636 19.859 1.00 0.00 H new ATOM 0 HB2 GLU A 340 13.787 29.638 20.981 1.00 0.00 H new ATOM 0 HB3 GLU A 340 14.601 30.211 19.539 1.00 0.00 H new ATOM 0 HG2 GLU A 340 11.637 30.250 20.162 1.00 0.00 H new ATOM 0 HG3 GLU A 340 12.697 31.604 19.824 1.00 0.00 H new ATOM 554 N CYS A 341 11.503 27.516 18.543 1.00 0.00 N ATOM 555 CA CYS A 341 10.214 26.776 18.555 1.00 0.00 C ATOM 556 C CYS A 341 10.422 25.321 18.114 1.00 0.00 C ATOM 557 O CYS A 341 9.610 24.445 18.442 1.00 0.00 O ATOM 558 CB CYS A 341 9.155 27.452 17.633 1.00 0.00 C ATOM 559 SG CYS A 341 8.474 29.024 18.260 1.00 0.00 S ATOM 0 H CYS A 341 11.658 28.046 17.685 1.00 0.00 H new ATOM 0 HA CYS A 341 9.841 26.795 19.579 1.00 0.00 H new ATOM 0 HB2 CYS A 341 9.608 27.633 16.658 1.00 0.00 H new ATOM 0 HB3 CYS A 341 8.332 26.754 17.478 1.00 0.00 H new ATOM 0 HG CYS A 341 9.312 29.987 18.017 1.00 0.00 H new ATOM 564 N ASP A 342 11.503 25.092 17.338 1.00 0.00 N ATOM 565 CA ASP A 342 11.861 23.780 16.746 1.00 0.00 C ATOM 566 C ASP A 342 10.780 23.271 15.766 1.00 0.00 C ATOM 567 O ASP A 342 10.738 22.084 15.425 1.00 0.00 O ATOM 568 CB ASP A 342 12.158 22.716 17.846 1.00 0.00 C ATOM 569 CG ASP A 342 13.296 23.113 18.803 1.00 0.00 C ATOM 570 OD1 ASP A 342 13.009 23.699 19.872 1.00 0.00 O ATOM 571 OD2 ASP A 342 14.475 22.817 18.504 1.00 0.00 O ATOM 0 H ASP A 342 12.167 25.828 17.099 1.00 0.00 H new ATOM 0 HA ASP A 342 12.775 23.935 16.173 1.00 0.00 H new ATOM 0 HB2 ASP A 342 11.251 22.544 18.426 1.00 0.00 H new ATOM 0 HB3 ASP A 342 12.413 21.771 17.365 1.00 0.00 H new ATOM 576 N MET A 343 9.936 24.199 15.290 1.00 0.00 N ATOM 577 CA MET A 343 8.808 23.909 14.390 1.00 0.00 C ATOM 578 C MET A 343 8.983 24.663 13.078 1.00 0.00 C ATOM 579 O MET A 343 9.504 25.788 13.058 1.00 0.00 O ATOM 580 CB MET A 343 7.454 24.308 15.046 1.00 0.00 C ATOM 581 CG MET A 343 6.980 23.436 16.230 1.00 0.00 C ATOM 582 SD MET A 343 6.178 21.879 15.740 1.00 0.00 S ATOM 583 CE MET A 343 7.540 20.806 15.281 1.00 0.00 C ATOM 0 H MET A 343 10.019 25.189 15.523 1.00 0.00 H new ATOM 0 HA MET A 343 8.795 22.836 14.196 1.00 0.00 H new ATOM 0 HB2 MET A 343 7.532 25.339 15.391 1.00 0.00 H new ATOM 0 HB3 MET A 343 6.682 24.287 14.276 1.00 0.00 H new ATOM 0 HG2 MET A 343 7.837 23.206 16.862 1.00 0.00 H new ATOM 0 HG3 MET A 343 6.283 24.015 16.836 1.00 0.00 H new ATOM 0 HE1 MET A 343 7.306 19.780 15.564 1.00 0.00 H new ATOM 0 HE2 MET A 343 7.697 20.858 14.204 1.00 0.00 H new ATOM 0 HE3 MET A 343 8.446 21.127 15.796 1.00 0.00 H new ATOM 593 N ALA A 344 8.520 24.032 11.995 1.00 0.00 N ATOM 594 CA ALA A 344 8.493 24.630 10.659 1.00 0.00 C ATOM 595 C ALA A 344 7.243 25.499 10.530 1.00 0.00 C ATOM 596 O ALA A 344 6.217 25.214 11.157 1.00 0.00 O ATOM 597 CB ALA A 344 8.523 23.540 9.573 1.00 0.00 C ATOM 0 H ALA A 344 8.150 23.082 12.023 1.00 0.00 H new ATOM 0 HA ALA A 344 9.378 25.251 10.520 1.00 0.00 H new ATOM 0 HB1 ALA A 344 8.502 24.007 8.588 1.00 0.00 H new ATOM 0 HB2 ALA A 344 9.433 22.949 9.675 1.00 0.00 H new ATOM 0 HB3 ALA A 344 7.655 22.891 9.685 1.00 0.00 H new ATOM 603 N PHE A 345 7.342 26.577 9.751 1.00 0.00 N ATOM 604 CA PHE A 345 6.216 27.482 9.463 1.00 0.00 C ATOM 605 C PHE A 345 6.237 27.846 7.982 1.00 0.00 C ATOM 606 O PHE A 345 7.083 27.363 7.226 1.00 0.00 O ATOM 607 CB PHE A 345 6.266 28.755 10.360 1.00 0.00 C ATOM 608 CG PHE A 345 6.107 28.453 11.847 1.00 0.00 C ATOM 609 CD1 PHE A 345 7.193 28.479 12.718 1.00 0.00 C ATOM 610 CD2 PHE A 345 4.864 28.114 12.363 1.00 0.00 C ATOM 611 CE1 PHE A 345 7.036 28.161 14.054 1.00 0.00 C ATOM 612 CE2 PHE A 345 4.709 27.802 13.699 1.00 0.00 C ATOM 613 CZ PHE A 345 5.793 27.831 14.544 1.00 0.00 C ATOM 0 H PHE A 345 8.212 26.854 9.296 1.00 0.00 H new ATOM 0 HA PHE A 345 5.280 26.972 9.694 1.00 0.00 H new ATOM 0 HB2 PHE A 345 7.215 29.267 10.200 1.00 0.00 H new ATOM 0 HB3 PHE A 345 5.478 29.441 10.049 1.00 0.00 H new ATOM 0 HD1 PHE A 345 8.170 28.751 12.345 1.00 0.00 H new ATOM 0 HD2 PHE A 345 4.005 28.094 11.709 1.00 0.00 H new ATOM 0 HE1 PHE A 345 7.890 28.172 14.715 1.00 0.00 H new ATOM 0 HE2 PHE A 345 3.735 27.535 14.081 1.00 0.00 H new ATOM 0 HZ PHE A 345 5.669 27.595 15.591 1.00 0.00 H new ATOM 623 N HIS A 346 5.266 28.657 7.562 1.00 0.00 N ATOM 624 CA HIS A 346 5.211 29.215 6.203 1.00 0.00 C ATOM 625 C HIS A 346 5.088 30.736 6.302 1.00 0.00 C ATOM 626 O HIS A 346 4.645 31.261 7.333 1.00 0.00 O ATOM 627 CB HIS A 346 4.033 28.626 5.392 1.00 0.00 C ATOM 628 CG HIS A 346 4.120 27.149 5.088 1.00 0.00 C ATOM 629 ND1 HIS A 346 3.048 26.315 5.315 1.00 0.00 N ATOM 630 CD2 HIS A 346 5.131 26.444 4.537 1.00 0.00 C ATOM 631 CE1 HIS A 346 3.441 25.122 4.857 1.00 0.00 C ATOM 632 NE2 HIS A 346 4.698 25.160 4.396 1.00 0.00 N ATOM 0 H HIS A 346 4.489 28.949 8.155 1.00 0.00 H new ATOM 0 HA HIS A 346 6.126 28.949 5.674 1.00 0.00 H new ATOM 0 HB2 HIS A 346 3.110 28.811 5.941 1.00 0.00 H new ATOM 0 HB3 HIS A 346 3.958 29.168 4.449 1.00 0.00 H new ATOM 0 HD2 HIS A 346 6.102 26.827 4.260 1.00 0.00 H new ATOM 0 HE1 HIS A 346 2.822 24.237 4.859 1.00 0.00 H new ATOM 0 HE2 HIS A 346 5.229 24.378 4.013 1.00 0.00 H new ATOM 640 N LEU A 347 5.466 31.417 5.220 1.00 0.00 N ATOM 641 CA LEU A 347 5.491 32.887 5.135 1.00 0.00 C ATOM 642 C LEU A 347 4.108 33.531 5.372 1.00 0.00 C ATOM 643 O LEU A 347 3.999 34.519 6.104 1.00 0.00 O ATOM 644 CB LEU A 347 6.111 33.301 3.765 1.00 0.00 C ATOM 645 CG LEU A 347 7.671 33.211 3.702 1.00 0.00 C ATOM 646 CD1 LEU A 347 8.219 33.382 2.271 1.00 0.00 C ATOM 647 CD2 LEU A 347 8.302 34.243 4.653 1.00 0.00 C ATOM 0 H LEU A 347 5.770 30.960 4.360 1.00 0.00 H new ATOM 0 HA LEU A 347 6.115 33.269 5.943 1.00 0.00 H new ATOM 0 HB2 LEU A 347 5.692 32.666 2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 347 5.810 34.324 3.539 1.00 0.00 H new ATOM 0 HG LEU A 347 7.948 32.207 4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 347 9.307 33.311 2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 347 7.813 32.599 1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 347 7.925 34.357 1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 347 9.388 34.170 4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 347 7.991 35.246 4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 347 7.975 34.045 5.674 1.00 0.00 H new ATOM 659 N TYR A 348 3.044 32.952 4.791 1.00 0.00 N ATOM 660 CA TYR A 348 1.673 33.504 4.923 1.00 0.00 C ATOM 661 C TYR A 348 0.901 32.839 6.084 1.00 0.00 C ATOM 662 O TYR A 348 -0.301 33.062 6.243 1.00 0.00 O ATOM 663 CB TYR A 348 0.904 33.360 3.593 1.00 0.00 C ATOM 664 CG TYR A 348 1.649 33.958 2.396 1.00 0.00 C ATOM 665 CD1 TYR A 348 2.257 33.135 1.450 1.00 0.00 C ATOM 666 CD2 TYR A 348 1.761 35.341 2.223 1.00 0.00 C ATOM 667 CE1 TYR A 348 2.946 33.659 0.388 1.00 0.00 C ATOM 668 CE2 TYR A 348 2.453 35.872 1.152 1.00 0.00 C ATOM 669 CZ TYR A 348 3.042 35.027 0.234 1.00 0.00 C ATOM 670 OH TYR A 348 3.743 35.550 -0.831 1.00 0.00 O ATOM 0 H TYR A 348 3.100 32.105 4.226 1.00 0.00 H new ATOM 0 HA TYR A 348 1.761 34.565 5.159 1.00 0.00 H new ATOM 0 HB2 TYR A 348 0.714 32.304 3.403 1.00 0.00 H new ATOM 0 HB3 TYR A 348 -0.067 33.846 3.688 1.00 0.00 H new ATOM 0 HD1 TYR A 348 2.184 32.063 1.556 1.00 0.00 H new ATOM 0 HD2 TYR A 348 1.299 36.005 2.939 1.00 0.00 H new ATOM 0 HE1 TYR A 348 3.414 33.001 -0.329 1.00 0.00 H new ATOM 0 HE2 TYR A 348 2.533 36.943 1.034 1.00 0.00 H new ATOM 0 HH TYR A 348 3.713 36.529 -0.793 1.00 0.00 H new ATOM 680 N CYS A 349 1.612 32.032 6.894 1.00 0.00 N ATOM 681 CA CYS A 349 1.059 31.387 8.108 1.00 0.00 C ATOM 682 C CYS A 349 1.485 32.167 9.368 1.00 0.00 C ATOM 683 O CYS A 349 1.574 31.608 10.467 1.00 0.00 O ATOM 684 CB CYS A 349 1.546 29.926 8.168 1.00 0.00 C ATOM 685 SG CYS A 349 0.952 28.897 6.795 1.00 0.00 S ATOM 0 H CYS A 349 2.592 31.806 6.727 1.00 0.00 H new ATOM 0 HA CYS A 349 -0.030 31.395 8.066 1.00 0.00 H new ATOM 0 HB2 CYS A 349 2.636 29.916 8.172 1.00 0.00 H new ATOM 0 HB3 CYS A 349 1.220 29.483 9.109 1.00 0.00 H new ATOM 0 HG CYS A 349 0.725 27.691 7.223 1.00 0.00 H new ATOM 690 N LEU A 350 1.738 33.473 9.186 1.00 0.00 N ATOM 691 CA LEU A 350 2.211 34.379 10.243 1.00 0.00 C ATOM 692 C LEU A 350 1.177 35.501 10.467 1.00 0.00 C ATOM 693 O LEU A 350 0.193 35.605 9.723 1.00 0.00 O ATOM 694 CB LEU A 350 3.595 34.969 9.831 1.00 0.00 C ATOM 695 CG LEU A 350 4.699 33.924 9.443 1.00 0.00 C ATOM 696 CD1 LEU A 350 5.996 34.622 8.992 1.00 0.00 C ATOM 697 CD2 LEU A 350 4.970 32.920 10.594 1.00 0.00 C ATOM 0 H LEU A 350 1.617 33.936 8.285 1.00 0.00 H new ATOM 0 HA LEU A 350 2.328 33.832 11.179 1.00 0.00 H new ATOM 0 HB2 LEU A 350 3.445 35.640 8.985 1.00 0.00 H new ATOM 0 HB3 LEU A 350 3.970 35.575 10.656 1.00 0.00 H new ATOM 0 HG LEU A 350 4.319 33.351 8.597 1.00 0.00 H new ATOM 0 HD11 LEU A 350 6.741 33.871 8.730 1.00 0.00 H new ATOM 0 HD12 LEU A 350 5.790 35.247 8.123 1.00 0.00 H new ATOM 0 HD13 LEU A 350 6.376 35.243 9.803 1.00 0.00 H new ATOM 0 HD21 LEU A 350 5.740 32.213 10.286 1.00 0.00 H new ATOM 0 HD22 LEU A 350 5.307 33.462 11.478 1.00 0.00 H new ATOM 0 HD23 LEU A 350 4.053 32.379 10.828 1.00 0.00 H new ATOM 709 N LYS A 351 1.405 36.336 11.491 1.00 0.00 N ATOM 710 CA LYS A 351 0.528 37.473 11.815 1.00 0.00 C ATOM 711 C LYS A 351 1.392 38.659 12.313 1.00 0.00 C ATOM 712 O LYS A 351 1.762 38.683 13.488 1.00 0.00 O ATOM 713 CB LYS A 351 -0.539 37.051 12.871 1.00 0.00 C ATOM 714 CG LYS A 351 -1.660 38.092 13.107 1.00 0.00 C ATOM 715 CD LYS A 351 -2.474 38.420 11.827 1.00 0.00 C ATOM 716 CE LYS A 351 -3.166 37.186 11.223 1.00 0.00 C ATOM 717 NZ LYS A 351 -3.954 37.508 10.005 1.00 0.00 N ATOM 0 H LYS A 351 2.203 36.243 12.119 1.00 0.00 H new ATOM 0 HA LYS A 351 -0.010 37.791 10.922 1.00 0.00 H new ATOM 0 HB2 LYS A 351 -0.994 36.113 12.553 1.00 0.00 H new ATOM 0 HB3 LYS A 351 -0.036 36.857 13.818 1.00 0.00 H new ATOM 0 HG2 LYS A 351 -2.338 37.718 13.874 1.00 0.00 H new ATOM 0 HG3 LYS A 351 -1.218 39.010 13.493 1.00 0.00 H new ATOM 0 HD2 LYS A 351 -3.226 39.172 12.064 1.00 0.00 H new ATOM 0 HD3 LYS A 351 -1.809 38.858 11.082 1.00 0.00 H new ATOM 0 HE2 LYS A 351 -2.413 36.437 10.976 1.00 0.00 H new ATOM 0 HE3 LYS A 351 -3.824 36.742 11.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 -4.398 36.641 9.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 -4.692 38.202 10.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 -3.324 37.906 9.279 1.00 0.00 H new ATOM 731 N PRO A 352 1.757 39.661 11.440 1.00 0.00 N ATOM 732 CA PRO A 352 1.307 39.758 10.024 1.00 0.00 C ATOM 733 C PRO A 352 2.096 38.818 9.069 1.00 0.00 C ATOM 734 O PRO A 352 3.275 38.523 9.327 1.00 0.00 O ATOM 735 CB PRO A 352 1.558 41.250 9.699 1.00 0.00 C ATOM 736 CG PRO A 352 2.758 41.615 10.521 1.00 0.00 C ATOM 737 CD PRO A 352 2.665 40.788 11.792 1.00 0.00 C ATOM 0 HA PRO A 352 0.272 39.444 9.889 1.00 0.00 H new ATOM 0 HB2 PRO A 352 1.745 41.399 8.636 1.00 0.00 H new ATOM 0 HB3 PRO A 352 0.696 41.864 9.960 1.00 0.00 H new ATOM 0 HG2 PRO A 352 3.680 41.399 9.982 1.00 0.00 H new ATOM 0 HG3 PRO A 352 2.765 42.681 10.749 1.00 0.00 H new ATOM 0 HD2 PRO A 352 3.645 40.426 12.102 1.00 0.00 H new ATOM 0 HD3 PRO A 352 2.266 41.375 12.619 1.00 0.00 H new ATOM 745 N PRO A 353 1.435 38.305 7.977 1.00 0.00 N ATOM 746 CA PRO A 353 2.097 37.458 6.956 1.00 0.00 C ATOM 747 C PRO A 353 3.260 38.170 6.246 1.00 0.00 C ATOM 748 O PRO A 353 3.198 39.377 5.975 1.00 0.00 O ATOM 749 CB PRO A 353 0.957 37.128 5.951 1.00 0.00 C ATOM 750 CG PRO A 353 -0.292 37.301 6.753 1.00 0.00 C ATOM 751 CD PRO A 353 -0.012 38.458 7.680 1.00 0.00 C ATOM 0 HA PRO A 353 2.551 36.575 7.406 1.00 0.00 H new ATOM 0 HB2 PRO A 353 0.976 37.798 5.092 1.00 0.00 H new ATOM 0 HB3 PRO A 353 1.046 36.113 5.565 1.00 0.00 H new ATOM 0 HG2 PRO A 353 -1.147 37.510 6.110 1.00 0.00 H new ATOM 0 HG3 PRO A 353 -0.528 36.396 7.313 1.00 0.00 H new ATOM 0 HD2 PRO A 353 -0.228 39.416 7.207 1.00 0.00 H new ATOM 0 HD3 PRO A 353 -0.618 38.406 8.585 1.00 0.00 H new ATOM 759 N LEU A 354 4.326 37.414 5.972 1.00 0.00 N ATOM 760 CA LEU A 354 5.461 37.881 5.175 1.00 0.00 C ATOM 761 C LEU A 354 5.330 37.343 3.747 1.00 0.00 C ATOM 762 O LEU A 354 4.833 36.229 3.536 1.00 0.00 O ATOM 763 CB LEU A 354 6.791 37.429 5.830 1.00 0.00 C ATOM 764 CG LEU A 354 7.023 37.956 7.278 1.00 0.00 C ATOM 765 CD1 LEU A 354 8.299 37.354 7.900 1.00 0.00 C ATOM 766 CD2 LEU A 354 7.049 39.506 7.324 1.00 0.00 C ATOM 0 H LEU A 354 4.426 36.453 6.300 1.00 0.00 H new ATOM 0 HA LEU A 354 5.464 38.970 5.136 1.00 0.00 H new ATOM 0 HB2 LEU A 354 6.819 36.339 5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 354 7.619 37.759 5.202 1.00 0.00 H new ATOM 0 HG LEU A 354 6.177 37.627 7.881 1.00 0.00 H new ATOM 0 HD11 LEU A 354 8.430 37.743 8.910 1.00 0.00 H new ATOM 0 HD12 LEU A 354 8.208 36.269 7.938 1.00 0.00 H new ATOM 0 HD13 LEU A 354 9.162 37.624 7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 354 7.213 39.837 8.350 1.00 0.00 H new ATOM 0 HD22 LEU A 354 7.855 39.875 6.690 1.00 0.00 H new ATOM 0 HD23 LEU A 354 6.097 39.897 6.964 1.00 0.00 H new ATOM 778 N THR A 355 5.729 38.159 2.771 1.00 0.00 N ATOM 779 CA THR A 355 5.721 37.786 1.350 1.00 0.00 C ATOM 780 C THR A 355 6.972 36.959 1.012 1.00 0.00 C ATOM 781 O THR A 355 6.902 35.967 0.282 1.00 0.00 O ATOM 782 CB THR A 355 5.644 39.060 0.455 1.00 0.00 C ATOM 783 OG1 THR A 355 6.728 39.945 0.785 1.00 0.00 O ATOM 784 CG2 THR A 355 4.305 39.806 0.627 1.00 0.00 C ATOM 0 H THR A 355 6.070 39.105 2.942 1.00 0.00 H new ATOM 0 HA THR A 355 4.840 37.176 1.152 1.00 0.00 H new ATOM 0 HB THR A 355 5.718 38.740 -0.584 1.00 0.00 H new ATOM 0 HG1 THR A 355 6.680 40.745 0.221 1.00 0.00 H new ATOM 0 HG21 THR A 355 4.294 40.687 -0.015 1.00 0.00 H new ATOM 0 HG22 THR A 355 3.483 39.146 0.351 1.00 0.00 H new ATOM 0 HG23 THR A 355 4.190 40.113 1.667 1.00 0.00 H new ATOM 792 N SER A 356 8.112 37.379 1.576 1.00 0.00 N ATOM 793 CA SER A 356 9.408 36.698 1.429 1.00 0.00 C ATOM 794 C SER A 356 10.132 36.672 2.787 1.00 0.00 C ATOM 795 O SER A 356 9.724 37.368 3.735 1.00 0.00 O ATOM 796 CB SER A 356 10.263 37.404 0.353 1.00 0.00 C ATOM 797 OG SER A 356 11.541 36.799 0.216 1.00 0.00 O ATOM 0 H SER A 356 8.162 38.216 2.157 1.00 0.00 H new ATOM 0 HA SER A 356 9.245 35.670 1.104 1.00 0.00 H new ATOM 0 HB2 SER A 356 9.742 37.373 -0.604 1.00 0.00 H new ATOM 0 HB3 SER A 356 10.384 38.455 0.616 1.00 0.00 H new ATOM 0 HG SER A 356 12.054 37.270 -0.474 1.00 0.00 H new ATOM 803 N VAL A 357 11.191 35.844 2.873 1.00 0.00 N ATOM 804 CA VAL A 357 12.043 35.719 4.068 1.00 0.00 C ATOM 805 C VAL A 357 12.752 37.073 4.373 1.00 0.00 C ATOM 806 O VAL A 357 13.268 37.712 3.443 1.00 0.00 O ATOM 807 CB VAL A 357 13.111 34.558 3.889 1.00 0.00 C ATOM 808 CG1 VAL A 357 13.945 34.729 2.593 1.00 0.00 C ATOM 809 CG2 VAL A 357 14.032 34.434 5.132 1.00 0.00 C ATOM 0 H VAL A 357 11.481 35.237 2.106 1.00 0.00 H new ATOM 0 HA VAL A 357 11.405 35.461 4.914 1.00 0.00 H new ATOM 0 HB VAL A 357 12.551 33.628 3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 357 14.663 33.913 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 357 13.281 34.716 1.729 1.00 0.00 H new ATOM 0 HG13 VAL A 357 14.478 35.679 2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 357 14.750 33.629 4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 357 14.566 35.372 5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 357 13.428 34.213 6.012 1.00 0.00 H new ATOM 819 N PRO A 358 12.734 37.562 5.663 1.00 0.00 N ATOM 820 CA PRO A 358 13.484 38.774 6.086 1.00 0.00 C ATOM 821 C PRO A 358 14.996 38.706 5.753 1.00 0.00 C ATOM 822 O PRO A 358 15.581 37.620 5.801 1.00 0.00 O ATOM 823 CB PRO A 358 13.263 38.817 7.626 1.00 0.00 C ATOM 824 CG PRO A 358 11.961 38.115 7.822 1.00 0.00 C ATOM 825 CD PRO A 358 11.948 37.001 6.795 1.00 0.00 C ATOM 0 HA PRO A 358 13.132 39.663 5.562 1.00 0.00 H new ATOM 0 HB2 PRO A 358 14.071 38.316 8.160 1.00 0.00 H new ATOM 0 HB3 PRO A 358 13.224 39.842 7.995 1.00 0.00 H new ATOM 0 HG2 PRO A 358 11.877 37.718 8.834 1.00 0.00 H new ATOM 0 HG3 PRO A 358 11.122 38.795 7.675 1.00 0.00 H new ATOM 0 HD2 PRO A 358 12.401 36.090 7.186 1.00 0.00 H new ATOM 0 HD3 PRO A 358 10.932 36.747 6.491 1.00 0.00 H new ATOM 833 N PRO A 359 15.653 39.873 5.446 1.00 0.00 N ATOM 834 CA PRO A 359 17.116 39.929 5.179 1.00 0.00 C ATOM 835 C PRO A 359 17.961 39.876 6.473 1.00 0.00 C ATOM 836 O PRO A 359 19.184 40.044 6.432 1.00 0.00 O ATOM 837 CB PRO A 359 17.267 41.289 4.453 1.00 0.00 C ATOM 838 CG PRO A 359 16.210 42.150 5.069 1.00 0.00 C ATOM 839 CD PRO A 359 15.034 41.225 5.328 1.00 0.00 C ATOM 0 HA PRO A 359 17.474 39.077 4.601 1.00 0.00 H new ATOM 0 HB2 PRO A 359 18.261 41.711 4.600 1.00 0.00 H new ATOM 0 HB3 PRO A 359 17.121 41.186 3.378 1.00 0.00 H new ATOM 0 HG2 PRO A 359 16.564 42.604 5.995 1.00 0.00 H new ATOM 0 HG3 PRO A 359 15.929 42.965 4.402 1.00 0.00 H new ATOM 0 HD2 PRO A 359 14.503 41.501 6.239 1.00 0.00 H new ATOM 0 HD3 PRO A 359 14.311 41.262 4.514 1.00 0.00 H new ATOM 847 N GLU A 360 17.286 39.651 7.615 1.00 0.00 N ATOM 848 CA GLU A 360 17.903 39.582 8.945 1.00 0.00 C ATOM 849 C GLU A 360 18.628 38.225 9.142 1.00 0.00 C ATOM 850 O GLU A 360 18.211 37.227 8.546 1.00 0.00 O ATOM 851 CB GLU A 360 16.803 39.812 10.019 1.00 0.00 C ATOM 852 CG GLU A 360 15.977 41.100 9.806 1.00 0.00 C ATOM 853 CD GLU A 360 16.843 42.370 9.680 1.00 0.00 C ATOM 854 OE1 GLU A 360 17.156 42.792 8.541 1.00 0.00 O ATOM 855 OE2 GLU A 360 17.217 42.953 10.716 1.00 0.00 O ATOM 0 H GLU A 360 16.276 39.510 7.635 1.00 0.00 H new ATOM 0 HA GLU A 360 18.659 40.360 9.046 1.00 0.00 H new ATOM 0 HB2 GLU A 360 16.128 38.956 10.022 1.00 0.00 H new ATOM 0 HB3 GLU A 360 17.272 39.852 11.002 1.00 0.00 H new ATOM 0 HG2 GLU A 360 15.373 40.990 8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 360 15.286 41.222 10.640 1.00 0.00 H new ATOM 862 N PRO A 361 19.722 38.166 9.978 1.00 0.00 N ATOM 863 CA PRO A 361 20.549 36.938 10.145 1.00 0.00 C ATOM 864 C PRO A 361 19.751 35.745 10.722 1.00 0.00 C ATOM 865 O PRO A 361 19.880 34.612 10.234 1.00 0.00 O ATOM 866 CB PRO A 361 21.689 37.391 11.101 1.00 0.00 C ATOM 867 CG PRO A 361 21.128 38.579 11.820 1.00 0.00 C ATOM 868 CD PRO A 361 20.248 39.282 10.815 1.00 0.00 C ATOM 0 HA PRO A 361 20.917 36.563 9.190 1.00 0.00 H new ATOM 0 HB2 PRO A 361 21.961 36.598 11.798 1.00 0.00 H new ATOM 0 HB3 PRO A 361 22.591 37.652 10.547 1.00 0.00 H new ATOM 0 HG2 PRO A 361 20.556 38.273 12.696 1.00 0.00 H new ATOM 0 HG3 PRO A 361 21.923 39.236 12.172 1.00 0.00 H new ATOM 0 HD2 PRO A 361 19.443 39.833 11.301 1.00 0.00 H new ATOM 0 HD3 PRO A 361 20.812 40.000 10.220 1.00 0.00 H new ATOM 876 N GLU A 362 18.919 36.005 11.748 1.00 0.00 N ATOM 877 CA GLU A 362 18.064 34.971 12.365 1.00 0.00 C ATOM 878 C GLU A 362 16.596 35.416 12.355 1.00 0.00 C ATOM 879 O GLU A 362 16.286 36.593 12.568 1.00 0.00 O ATOM 880 CB GLU A 362 18.529 34.621 13.801 1.00 0.00 C ATOM 881 CG GLU A 362 17.749 33.456 14.454 1.00 0.00 C ATOM 882 CD GLU A 362 18.370 32.912 15.752 1.00 0.00 C ATOM 883 OE1 GLU A 362 19.081 33.657 16.461 1.00 0.00 O ATOM 884 OE2 GLU A 362 18.124 31.733 16.087 1.00 0.00 O ATOM 0 H GLU A 362 18.820 36.928 12.170 1.00 0.00 H new ATOM 0 HA GLU A 362 18.157 34.063 11.768 1.00 0.00 H new ATOM 0 HB2 GLU A 362 19.588 34.365 13.776 1.00 0.00 H new ATOM 0 HB3 GLU A 362 18.430 35.507 14.429 1.00 0.00 H new ATOM 0 HG2 GLU A 362 16.734 33.791 14.666 1.00 0.00 H new ATOM 0 HG3 GLU A 362 17.672 32.640 13.735 1.00 0.00 H new ATOM 891 N TRP A 363 15.708 34.446 12.096 1.00 0.00 N ATOM 892 CA TRP A 363 14.260 34.654 11.985 1.00 0.00 C ATOM 893 C TRP A 363 13.532 34.051 13.202 1.00 0.00 C ATOM 894 O TRP A 363 13.899 32.983 13.699 1.00 0.00 O ATOM 895 CB TRP A 363 13.755 34.010 10.666 1.00 0.00 C ATOM 896 CG TRP A 363 12.256 34.085 10.450 1.00 0.00 C ATOM 897 CD1 TRP A 363 11.546 35.142 9.952 1.00 0.00 C ATOM 898 CD2 TRP A 363 11.289 33.056 10.731 1.00 0.00 C ATOM 899 NE1 TRP A 363 10.214 34.824 9.886 1.00 0.00 N ATOM 900 CE2 TRP A 363 10.033 33.557 10.362 1.00 0.00 C ATOM 901 CE3 TRP A 363 11.369 31.761 11.250 1.00 0.00 C ATOM 902 CZ2 TRP A 363 8.871 32.813 10.495 1.00 0.00 C ATOM 903 CZ3 TRP A 363 10.208 31.025 11.384 1.00 0.00 C ATOM 904 CH2 TRP A 363 8.970 31.554 11.011 1.00 0.00 C ATOM 0 H TRP A 363 15.984 33.474 11.955 1.00 0.00 H new ATOM 0 HA TRP A 363 14.047 35.723 11.967 1.00 0.00 H new ATOM 0 HB2 TRP A 363 14.253 34.497 9.827 1.00 0.00 H new ATOM 0 HB3 TRP A 363 14.057 32.963 10.651 1.00 0.00 H new ATOM 0 HD1 TRP A 363 11.972 36.089 9.654 1.00 0.00 H new ATOM 0 HE1 TRP A 363 9.476 35.436 9.537 1.00 0.00 H new ATOM 0 HE3 TRP A 363 12.321 31.343 11.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 363 7.915 33.218 10.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 363 10.258 30.023 11.784 1.00 0.00 H new ATOM 0 HH2 TRP A 363 8.078 30.957 11.133 1.00 0.00 H new ATOM 915 N TYR A 364 12.480 34.753 13.647 1.00 0.00 N ATOM 916 CA TYR A 364 11.550 34.287 14.681 1.00 0.00 C ATOM 917 C TYR A 364 10.113 34.520 14.178 1.00 0.00 C ATOM 918 O TYR A 364 9.854 35.506 13.479 1.00 0.00 O ATOM 919 CB TYR A 364 11.775 35.042 16.020 1.00 0.00 C ATOM 920 CG TYR A 364 13.193 34.917 16.614 1.00 0.00 C ATOM 921 CD1 TYR A 364 13.614 33.745 17.242 1.00 0.00 C ATOM 922 CD2 TYR A 364 14.113 35.969 16.540 1.00 0.00 C ATOM 923 CE1 TYR A 364 14.880 33.617 17.777 1.00 0.00 C ATOM 924 CE2 TYR A 364 15.384 35.843 17.076 1.00 0.00 C ATOM 925 CZ TYR A 364 15.757 34.667 17.695 1.00 0.00 C ATOM 926 OH TYR A 364 17.012 34.543 18.248 1.00 0.00 O ATOM 0 H TYR A 364 12.249 35.680 13.289 1.00 0.00 H new ATOM 0 HA TYR A 364 11.721 33.227 14.869 1.00 0.00 H new ATOM 0 HB2 TYR A 364 11.555 36.098 15.864 1.00 0.00 H new ATOM 0 HB3 TYR A 364 11.058 34.672 16.752 1.00 0.00 H new ATOM 0 HD1 TYR A 364 12.929 32.913 17.312 1.00 0.00 H new ATOM 0 HD2 TYR A 364 13.828 36.892 16.058 1.00 0.00 H new ATOM 0 HE1 TYR A 364 15.177 32.696 18.257 1.00 0.00 H new ATOM 0 HE2 TYR A 364 16.082 36.664 17.010 1.00 0.00 H new ATOM 0 HH TYR A 364 17.669 34.393 17.537 1.00 0.00 H new ATOM 936 N CYS A 365 9.194 33.601 14.514 1.00 0.00 N ATOM 937 CA CYS A 365 7.753 33.748 14.193 1.00 0.00 C ATOM 938 C CYS A 365 7.119 34.818 15.115 1.00 0.00 C ATOM 939 O CYS A 365 7.624 35.029 16.224 1.00 0.00 O ATOM 940 CB CYS A 365 7.010 32.404 14.376 1.00 0.00 C ATOM 941 SG CYS A 365 6.888 31.859 16.111 1.00 0.00 S ATOM 0 H CYS A 365 9.419 32.740 15.012 1.00 0.00 H new ATOM 0 HA CYS A 365 7.662 34.058 13.152 1.00 0.00 H new ATOM 0 HB2 CYS A 365 6.006 32.496 13.963 1.00 0.00 H new ATOM 0 HB3 CYS A 365 7.523 31.635 13.799 1.00 0.00 H new ATOM 0 HG CYS A 365 7.954 32.228 16.758 1.00 0.00 H new ATOM 946 N PRO A 366 6.015 35.517 14.679 1.00 0.00 N ATOM 947 CA PRO A 366 5.231 36.429 15.564 1.00 0.00 C ATOM 948 C PRO A 366 4.799 35.755 16.888 1.00 0.00 C ATOM 949 O PRO A 366 4.816 36.377 17.956 1.00 0.00 O ATOM 950 CB PRO A 366 3.998 36.779 14.702 1.00 0.00 C ATOM 951 CG PRO A 366 4.462 36.635 13.284 1.00 0.00 C ATOM 952 CD PRO A 366 5.483 35.524 13.285 1.00 0.00 C ATOM 0 HA PRO A 366 5.815 37.295 15.876 1.00 0.00 H new ATOM 0 HB2 PRO A 366 3.165 36.109 14.915 1.00 0.00 H new ATOM 0 HB3 PRO A 366 3.651 37.793 14.903 1.00 0.00 H new ATOM 0 HG2 PRO A 366 3.628 36.396 12.624 1.00 0.00 H new ATOM 0 HG3 PRO A 366 4.899 37.565 12.921 1.00 0.00 H new ATOM 0 HD2 PRO A 366 5.030 34.567 13.027 1.00 0.00 H new ATOM 0 HD3 PRO A 366 6.274 35.709 12.558 1.00 0.00 H new ATOM 960 N SER A 367 4.464 34.457 16.776 1.00 0.00 N ATOM 961 CA SER A 367 3.993 33.602 17.884 1.00 0.00 C ATOM 962 C SER A 367 5.035 33.481 19.034 1.00 0.00 C ATOM 963 O SER A 367 4.683 33.137 20.164 1.00 0.00 O ATOM 964 CB SER A 367 3.656 32.211 17.308 1.00 0.00 C ATOM 965 OG SER A 367 2.884 32.317 16.113 1.00 0.00 O ATOM 0 H SER A 367 4.514 33.958 15.888 1.00 0.00 H new ATOM 0 HA SER A 367 3.109 34.062 18.326 1.00 0.00 H new ATOM 0 HB2 SER A 367 4.578 31.668 17.101 1.00 0.00 H new ATOM 0 HB3 SER A 367 3.105 31.632 18.049 1.00 0.00 H new ATOM 0 HG SER A 367 2.687 31.420 15.770 1.00 0.00 H new ATOM 971 N CYS A 368 6.315 33.767 18.719 1.00 0.00 N ATOM 972 CA CYS A 368 7.413 33.831 19.713 1.00 0.00 C ATOM 973 C CYS A 368 7.154 34.922 20.784 1.00 0.00 C ATOM 974 O CYS A 368 7.433 34.723 21.976 1.00 0.00 O ATOM 975 CB CYS A 368 8.764 34.115 18.997 1.00 0.00 C ATOM 976 SG CYS A 368 9.746 32.662 18.535 1.00 0.00 S ATOM 0 H CYS A 368 6.620 33.961 17.765 1.00 0.00 H new ATOM 0 HA CYS A 368 7.458 32.866 20.217 1.00 0.00 H new ATOM 0 HB2 CYS A 368 8.559 34.691 18.095 1.00 0.00 H new ATOM 0 HB3 CYS A 368 9.370 34.746 19.647 1.00 0.00 H new ATOM 0 HG CYS A 368 10.887 32.693 19.158 1.00 0.00 H new