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 -138:sc= -0.811 USER MOD Set 1.2: A 341 CYS SG : rot 143:sc= 0.272 USER MOD Set 1.3: A 365 CYS SG : rot -36:sc= -2.75! USER MOD Set 1.4: A 368 CYS SG : rot 133:sc= -2.09! USER MOD Set 2.1: A 323 CYS SG : rot -160:sc= -0.998 USER MOD Set 2.2: A 326 CYS SG : rot -61:sc= 0.291 USER MOD Set 2.3: A 346 HIS : no HD1:sc= -0.726 K(o=-4.9,f=-6.8) USER MOD Set 2.4: A 349 CYS SG : rot 50:sc= -3.43! USER MOD Set 3.1: A 324 HIS : no HD1:sc= -0.319 X(o=-0.41,f=-0.43) USER MOD Set 3.2: A 343 MET CE :methyl -164:sc= -0.0924 (180deg=-0.382) USER MOD Single : A 334 LYS NZ :NH3+ -177:sc= 0.0421 (180deg=-0.149) USER MOD Single : A 335 GLN : amide:sc= -0.553 X(o=-0.55,f=-0.75) USER MOD Single : A 348 TYR OH : rot 120:sc= 0 USER MOD Single : A 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 355 THR OG1 : rot -28:sc= 0.0138 USER MOD Single : A 356 SER OG : rot 180:sc= -0.0439 USER MOD Single : A 364 TYR OH : rot -7:sc= 0.281 USER MOD Single : A 367 SER OG : rot 180:sc= 0.0172 USER MOD ----------------------------------------------------------------- ATOM 285 N ALA A 322 6.214 19.185 10.626 1.00 0.00 N ATOM 286 CA ALA A 322 5.577 20.137 9.691 1.00 0.00 C ATOM 287 C ALA A 322 5.257 21.490 10.351 1.00 0.00 C ATOM 288 O ALA A 322 5.527 21.719 11.533 1.00 0.00 O ATOM 289 CB ALA A 322 4.282 19.506 9.126 1.00 0.00 C ATOM 0 HA ALA A 322 6.286 20.336 8.887 1.00 0.00 H new ATOM 0 HB1 ALA A 322 3.808 20.204 8.436 1.00 0.00 H new ATOM 0 HB2 ALA A 322 4.527 18.584 8.599 1.00 0.00 H new ATOM 0 HB3 ALA A 322 3.598 19.285 9.945 1.00 0.00 H new ATOM 295 N CYS A 323 4.685 22.385 9.529 1.00 0.00 N ATOM 296 CA CYS A 323 4.127 23.678 9.962 1.00 0.00 C ATOM 297 C CYS A 323 2.707 23.464 10.503 1.00 0.00 C ATOM 298 O CYS A 323 1.765 23.313 9.719 1.00 0.00 O ATOM 299 CB CYS A 323 4.151 24.667 8.764 1.00 0.00 C ATOM 300 SG CYS A 323 3.076 26.136 8.886 1.00 0.00 S ATOM 0 H CYS A 323 4.595 22.228 8.525 1.00 0.00 H new ATOM 0 HA CYS A 323 4.726 24.107 10.765 1.00 0.00 H new ATOM 0 HB2 CYS A 323 5.177 25.008 8.626 1.00 0.00 H new ATOM 0 HB3 CYS A 323 3.874 24.117 7.864 1.00 0.00 H new ATOM 0 HG CYS A 323 2.879 26.630 7.700 1.00 0.00 H new ATOM 305 N HIS A 324 2.566 23.460 11.851 1.00 0.00 N ATOM 306 CA HIS A 324 1.308 23.107 12.560 1.00 0.00 C ATOM 307 C HIS A 324 0.170 24.096 12.280 1.00 0.00 C ATOM 308 O HIS A 324 -0.995 23.780 12.534 1.00 0.00 O ATOM 309 CB HIS A 324 1.545 23.018 14.100 1.00 0.00 C ATOM 310 CG HIS A 324 2.218 21.761 14.581 1.00 0.00 C ATOM 311 ND1 HIS A 324 2.030 21.232 15.844 1.00 0.00 N ATOM 312 CD2 HIS A 324 3.080 20.927 13.960 1.00 0.00 C ATOM 313 CE1 HIS A 324 2.780 20.131 15.944 1.00 0.00 C ATOM 314 NE2 HIS A 324 3.432 19.899 14.827 1.00 0.00 N ATOM 0 H HIS A 324 3.328 23.704 12.484 1.00 0.00 H new ATOM 0 HA HIS A 324 1.006 22.133 12.174 1.00 0.00 H new ATOM 0 HB2 HIS A 324 2.148 23.872 14.407 1.00 0.00 H new ATOM 0 HB3 HIS A 324 0.583 23.110 14.604 1.00 0.00 H new ATOM 0 HD2 HIS A 324 3.440 21.041 12.948 1.00 0.00 H new ATOM 0 HE1 HIS A 324 2.842 19.513 16.827 1.00 0.00 H new ATOM 0 HE2 HIS A 324 4.066 19.124 14.635 1.00 0.00 H new ATOM 322 N VAL A 325 0.512 25.288 11.750 1.00 0.00 N ATOM 323 CA VAL A 325 -0.475 26.341 11.460 1.00 0.00 C ATOM 324 C VAL A 325 -1.488 25.856 10.392 1.00 0.00 C ATOM 325 O VAL A 325 -2.682 26.169 10.451 1.00 0.00 O ATOM 326 CB VAL A 325 0.221 27.678 10.991 1.00 0.00 C ATOM 327 CG1 VAL A 325 -0.793 28.846 10.880 1.00 0.00 C ATOM 328 CG2 VAL A 325 1.396 28.056 11.930 1.00 0.00 C ATOM 0 H VAL A 325 1.471 25.544 11.514 1.00 0.00 H new ATOM 0 HA VAL A 325 -1.011 26.553 12.385 1.00 0.00 H new ATOM 0 HB VAL A 325 0.625 27.498 9.995 1.00 0.00 H new ATOM 0 HG11 VAL A 325 -0.275 29.748 10.555 1.00 0.00 H new ATOM 0 HG12 VAL A 325 -1.565 28.590 10.155 1.00 0.00 H new ATOM 0 HG13 VAL A 325 -1.253 29.022 11.852 1.00 0.00 H new ATOM 0 HG21 VAL A 325 1.856 28.981 11.582 1.00 0.00 H new ATOM 0 HG22 VAL A 325 1.021 28.196 12.944 1.00 0.00 H new ATOM 0 HG23 VAL A 325 2.138 27.257 11.925 1.00 0.00 H new ATOM 338 N CYS A 326 -0.982 25.050 9.442 1.00 0.00 N ATOM 339 CA CYS A 326 -1.793 24.422 8.374 1.00 0.00 C ATOM 340 C CYS A 326 -1.667 22.877 8.423 1.00 0.00 C ATOM 341 O CYS A 326 -2.361 22.166 7.684 1.00 0.00 O ATOM 342 CB CYS A 326 -1.340 24.967 7.003 1.00 0.00 C ATOM 343 SG CYS A 326 0.415 24.673 6.618 1.00 0.00 S ATOM 0 H CYS A 326 0.008 24.812 9.390 1.00 0.00 H new ATOM 0 HA CYS A 326 -2.843 24.671 8.528 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -1.951 24.511 6.224 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -1.531 26.040 6.971 1.00 0.00 H new ATOM 0 HG CYS A 326 1.159 25.256 7.511 1.00 0.00 H new ATOM 348 N GLY A 327 -0.795 22.380 9.327 1.00 0.00 N ATOM 349 CA GLY A 327 -0.494 20.949 9.452 1.00 0.00 C ATOM 350 C GLY A 327 0.169 20.353 8.209 1.00 0.00 C ATOM 351 O GLY A 327 -0.136 19.220 7.824 1.00 0.00 O ATOM 0 H GLY A 327 -0.283 22.965 9.988 1.00 0.00 H new ATOM 0 HA2 GLY A 327 0.160 20.797 10.311 1.00 0.00 H new ATOM 0 HA3 GLY A 327 -1.418 20.408 9.656 1.00 0.00 H new ATOM 355 N GLY A 328 1.085 21.114 7.579 1.00 0.00 N ATOM 356 CA GLY A 328 1.703 20.683 6.318 1.00 0.00 C ATOM 357 C GLY A 328 3.069 21.305 6.049 1.00 0.00 C ATOM 358 O GLY A 328 3.376 22.401 6.532 1.00 0.00 O ATOM 0 H GLY A 328 1.408 22.019 7.921 1.00 0.00 H new ATOM 0 HA2 GLY A 328 1.806 19.598 6.329 1.00 0.00 H new ATOM 0 HA3 GLY A 328 1.034 20.932 5.494 1.00 0.00 H new ATOM 362 N ARG A 329 3.888 20.574 5.267 1.00 0.00 N ATOM 363 CA ARG A 329 5.206 21.034 4.757 1.00 0.00 C ATOM 364 C ARG A 329 5.061 21.516 3.293 1.00 0.00 C ATOM 365 O ARG A 329 6.057 21.697 2.583 1.00 0.00 O ATOM 366 CB ARG A 329 6.241 19.865 4.846 1.00 0.00 C ATOM 367 CG ARG A 329 6.364 19.236 6.249 1.00 0.00 C ATOM 368 CD ARG A 329 7.295 18.009 6.306 1.00 0.00 C ATOM 369 NE ARG A 329 8.707 18.353 6.063 1.00 0.00 N ATOM 370 CZ ARG A 329 9.610 17.560 5.459 1.00 0.00 C ATOM 371 NH1 ARG A 329 9.232 16.438 4.858 1.00 0.00 N ATOM 372 NH2 ARG A 329 10.876 17.929 5.396 1.00 0.00 N ATOM 0 H ARG A 329 3.653 19.629 4.964 1.00 0.00 H new ATOM 0 HA ARG A 329 5.561 21.866 5.365 1.00 0.00 H new ATOM 0 HB2 ARG A 329 5.957 19.089 4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 329 7.219 20.236 4.539 1.00 0.00 H new ATOM 0 HG2 ARG A 329 6.732 19.991 6.944 1.00 0.00 H new ATOM 0 HG3 ARG A 329 5.372 18.943 6.593 1.00 0.00 H new ATOM 0 HD2 ARG A 329 7.204 17.535 7.283 1.00 0.00 H new ATOM 0 HD3 ARG A 329 6.971 17.278 5.565 1.00 0.00 H new ATOM 0 HE ARG A 329 9.026 19.269 6.379 1.00 0.00 H new ATOM 0 HH11 ARG A 329 8.248 16.170 4.851 1.00 0.00 H new ATOM 0 HH12 ARG A 329 9.926 15.844 4.403 1.00 0.00 H new ATOM 0 HH21 ARG A 329 11.170 18.816 5.806 1.00 0.00 H new ATOM 0 HH22 ARG A 329 11.560 17.327 4.938 1.00 0.00 H new ATOM 386 N GLU A 330 3.803 21.720 2.865 1.00 0.00 N ATOM 387 CA GLU A 330 3.453 22.089 1.480 1.00 0.00 C ATOM 388 C GLU A 330 3.920 23.525 1.177 1.00 0.00 C ATOM 389 O GLU A 330 3.585 24.431 1.932 1.00 0.00 O ATOM 390 CB GLU A 330 1.921 21.960 1.280 1.00 0.00 C ATOM 391 CG GLU A 330 1.348 20.596 1.720 1.00 0.00 C ATOM 392 CD GLU A 330 -0.148 20.427 1.407 1.00 0.00 C ATOM 393 OE1 GLU A 330 -0.995 20.700 2.287 1.00 0.00 O ATOM 394 OE2 GLU A 330 -0.488 20.033 0.268 1.00 0.00 O ATOM 0 H GLU A 330 2.991 21.633 3.477 1.00 0.00 H new ATOM 0 HA GLU A 330 3.958 21.414 0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 330 1.423 22.751 1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 330 1.687 22.120 0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 330 1.906 19.801 1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 330 1.502 20.475 2.792 1.00 0.00 H new ATOM 401 N ALA A 331 4.668 23.691 0.064 1.00 0.00 N ATOM 402 CA ALA A 331 5.380 24.935 -0.316 1.00 0.00 C ATOM 403 C ALA A 331 6.679 25.086 0.513 1.00 0.00 C ATOM 404 O ALA A 331 6.682 25.752 1.557 1.00 0.00 O ATOM 405 CB ALA A 331 4.487 26.197 -0.242 1.00 0.00 C ATOM 0 H ALA A 331 4.798 22.942 -0.616 1.00 0.00 H new ATOM 0 HA ALA A 331 5.653 24.842 -1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 331 5.069 27.072 -0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 331 3.640 26.084 -0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 331 4.122 26.326 0.777 1.00 0.00 H new ATOM 411 N PRO A 332 7.806 24.430 0.063 1.00 0.00 N ATOM 412 CA PRO A 332 9.091 24.405 0.815 1.00 0.00 C ATOM 413 C PRO A 332 9.879 25.740 0.746 1.00 0.00 C ATOM 414 O PRO A 332 10.609 26.084 1.681 1.00 0.00 O ATOM 415 CB PRO A 332 9.862 23.250 0.126 1.00 0.00 C ATOM 416 CG PRO A 332 9.370 23.268 -1.290 1.00 0.00 C ATOM 417 CD PRO A 332 7.906 23.652 -1.212 1.00 0.00 C ATOM 0 HA PRO A 332 8.938 24.263 1.885 1.00 0.00 H new ATOM 0 HB2 PRO A 332 10.940 23.407 0.175 1.00 0.00 H new ATOM 0 HB3 PRO A 332 9.657 22.293 0.606 1.00 0.00 H new ATOM 0 HG2 PRO A 332 9.931 23.984 -1.890 1.00 0.00 H new ATOM 0 HG3 PRO A 332 9.494 22.292 -1.760 1.00 0.00 H new ATOM 0 HD2 PRO A 332 7.604 24.251 -2.071 1.00 0.00 H new ATOM 0 HD3 PRO A 332 7.262 22.772 -1.195 1.00 0.00 H new ATOM 425 N GLU A 333 9.708 26.477 -0.363 1.00 0.00 N ATOM 426 CA GLU A 333 10.407 27.761 -0.603 1.00 0.00 C ATOM 427 C GLU A 333 9.791 28.896 0.222 1.00 0.00 C ATOM 428 O GLU A 333 10.478 29.871 0.550 1.00 0.00 O ATOM 429 CB GLU A 333 10.447 28.118 -2.134 1.00 0.00 C ATOM 430 CG GLU A 333 9.285 27.586 -3.007 1.00 0.00 C ATOM 431 CD GLU A 333 7.886 28.106 -2.642 1.00 0.00 C ATOM 432 OE1 GLU A 333 7.193 27.467 -1.818 1.00 0.00 O ATOM 433 OE2 GLU A 333 7.477 29.164 -3.162 1.00 0.00 O ATOM 0 H GLU A 333 9.083 26.204 -1.121 1.00 0.00 H new ATOM 0 HA GLU A 333 11.438 27.638 -0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 333 10.473 29.204 -2.229 1.00 0.00 H new ATOM 0 HB3 GLU A 333 11.382 27.739 -2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 333 9.488 27.843 -4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 333 9.276 26.498 -2.944 1.00 0.00 H new ATOM 440 N LYS A 334 8.493 28.766 0.547 1.00 0.00 N ATOM 441 CA LYS A 334 7.787 29.753 1.379 1.00 0.00 C ATOM 442 C LYS A 334 7.806 29.360 2.872 1.00 0.00 C ATOM 443 O LYS A 334 7.142 30.014 3.684 1.00 0.00 O ATOM 444 CB LYS A 334 6.332 29.972 0.865 1.00 0.00 C ATOM 445 CG LYS A 334 6.258 30.754 -0.464 1.00 0.00 C ATOM 446 CD LYS A 334 4.816 31.049 -0.941 1.00 0.00 C ATOM 447 CE LYS A 334 4.004 29.779 -1.235 1.00 0.00 C ATOM 448 NZ LYS A 334 4.658 28.909 -2.238 1.00 0.00 N ATOM 0 H LYS A 334 7.911 27.985 0.245 1.00 0.00 H new ATOM 0 HA LYS A 334 8.320 30.700 1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 334 5.852 29.002 0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 334 5.764 30.509 1.625 1.00 0.00 H new ATOM 0 HG2 LYS A 334 6.792 31.697 -0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 334 6.777 30.187 -1.237 1.00 0.00 H new ATOM 0 HD2 LYS A 334 4.301 31.634 -0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 334 4.856 31.663 -1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 334 3.863 29.220 -0.310 1.00 0.00 H new ATOM 0 HE3 LYS A 334 3.013 30.059 -1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 4.047 28.092 -2.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 4.816 29.447 -3.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 5.571 28.576 -1.867 1.00 0.00 H new ATOM 462 N GLN A 335 8.573 28.302 3.233 1.00 0.00 N ATOM 463 CA GLN A 335 8.736 27.876 4.639 1.00 0.00 C ATOM 464 C GLN A 335 9.730 28.770 5.384 1.00 0.00 C ATOM 465 O GLN A 335 10.754 29.190 4.829 1.00 0.00 O ATOM 466 CB GLN A 335 9.192 26.398 4.770 1.00 0.00 C ATOM 467 CG GLN A 335 8.130 25.356 4.395 1.00 0.00 C ATOM 468 CD GLN A 335 8.553 23.919 4.700 1.00 0.00 C ATOM 469 OE1 GLN A 335 9.285 23.660 5.657 1.00 0.00 O ATOM 470 NE2 GLN A 335 8.108 22.980 3.884 1.00 0.00 N ATOM 0 H GLN A 335 9.089 27.729 2.565 1.00 0.00 H new ATOM 0 HA GLN A 335 7.748 27.971 5.090 1.00 0.00 H new ATOM 0 HB2 GLN A 335 10.067 26.246 4.138 1.00 0.00 H new ATOM 0 HB3 GLN A 335 9.506 26.220 5.798 1.00 0.00 H new ATOM 0 HG2 GLN A 335 7.209 25.577 4.934 1.00 0.00 H new ATOM 0 HG3 GLN A 335 7.906 25.443 3.332 1.00 0.00 H new ATOM 0 HE21 GLN A 335 7.503 23.229 3.101 1.00 0.00 H new ATOM 0 HE22 GLN A 335 8.369 22.006 4.037 1.00 0.00 H new ATOM 479 N LEU A 336 9.396 29.038 6.650 1.00 0.00 N ATOM 480 CA LEU A 336 10.241 29.767 7.596 1.00 0.00 C ATOM 481 C LEU A 336 10.308 28.969 8.903 1.00 0.00 C ATOM 482 O LEU A 336 9.353 28.945 9.686 1.00 0.00 O ATOM 483 CB LEU A 336 9.682 31.192 7.835 1.00 0.00 C ATOM 484 CG LEU A 336 9.760 32.160 6.618 1.00 0.00 C ATOM 485 CD1 LEU A 336 9.099 33.519 6.935 1.00 0.00 C ATOM 486 CD2 LEU A 336 11.221 32.349 6.146 1.00 0.00 C ATOM 0 H LEU A 336 8.506 28.745 7.054 1.00 0.00 H new ATOM 0 HA LEU A 336 11.247 29.878 7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 336 8.640 31.107 8.142 1.00 0.00 H new ATOM 0 HB3 LEU A 336 10.224 31.640 8.668 1.00 0.00 H new ATOM 0 HG LEU A 336 9.201 31.704 5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 336 9.171 34.171 6.064 1.00 0.00 H new ATOM 0 HD12 LEU A 336 8.050 33.364 7.186 1.00 0.00 H new ATOM 0 HD13 LEU A 336 9.609 33.984 7.779 1.00 0.00 H new ATOM 0 HD21 LEU A 336 11.243 33.030 5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 336 11.815 32.765 6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 336 11.635 31.385 5.850 1.00 0.00 H new ATOM 498 N LEU A 337 11.444 28.305 9.114 1.00 0.00 N ATOM 499 CA LEU A 337 11.641 27.375 10.239 1.00 0.00 C ATOM 500 C LEU A 337 12.164 28.142 11.466 1.00 0.00 C ATOM 501 O LEU A 337 13.328 28.543 11.502 1.00 0.00 O ATOM 502 CB LEU A 337 12.616 26.206 9.858 1.00 0.00 C ATOM 503 CG LEU A 337 12.100 25.147 8.816 1.00 0.00 C ATOM 504 CD1 LEU A 337 11.915 25.743 7.399 1.00 0.00 C ATOM 505 CD2 LEU A 337 13.035 23.909 8.772 1.00 0.00 C ATOM 0 H LEU A 337 12.261 28.394 8.510 1.00 0.00 H new ATOM 0 HA LEU A 337 10.678 26.927 10.482 1.00 0.00 H new ATOM 0 HB2 LEU A 337 13.533 26.646 9.466 1.00 0.00 H new ATOM 0 HB3 LEU A 337 12.882 25.677 10.773 1.00 0.00 H new ATOM 0 HG LEU A 337 11.114 24.830 9.157 1.00 0.00 H new ATOM 0 HD11 LEU A 337 11.557 24.967 6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 337 11.188 26.554 7.438 1.00 0.00 H new ATOM 0 HD13 LEU A 337 12.869 26.128 7.039 1.00 0.00 H new ATOM 0 HD21 LEU A 337 12.656 23.192 8.044 1.00 0.00 H new ATOM 0 HD22 LEU A 337 14.039 24.221 8.485 1.00 0.00 H new ATOM 0 HD23 LEU A 337 13.068 23.443 9.757 1.00 0.00 H new ATOM 517 N CYS A 338 11.266 28.384 12.445 1.00 0.00 N ATOM 518 CA CYS A 338 11.624 29.030 13.720 1.00 0.00 C ATOM 519 C CYS A 338 12.512 28.085 14.541 1.00 0.00 C ATOM 520 O CYS A 338 12.013 27.076 15.061 1.00 0.00 O ATOM 521 CB CYS A 338 10.362 29.399 14.538 1.00 0.00 C ATOM 522 SG CYS A 338 10.696 30.476 15.977 1.00 0.00 S ATOM 0 H CYS A 338 10.279 28.138 12.372 1.00 0.00 H new ATOM 0 HA CYS A 338 12.164 29.950 13.497 1.00 0.00 H new ATOM 0 HB2 CYS A 338 9.649 29.898 13.881 1.00 0.00 H new ATOM 0 HB3 CYS A 338 9.887 28.482 14.886 1.00 0.00 H new ATOM 0 HG CYS A 338 10.006 30.062 16.998 1.00 0.00 H new ATOM 527 N ASP A 339 13.815 28.417 14.632 1.00 0.00 N ATOM 528 CA ASP A 339 14.815 27.627 15.387 1.00 0.00 C ATOM 529 C ASP A 339 14.381 27.420 16.851 1.00 0.00 C ATOM 530 O ASP A 339 14.447 26.308 17.371 1.00 0.00 O ATOM 531 CB ASP A 339 16.198 28.322 15.344 1.00 0.00 C ATOM 532 CG ASP A 339 16.801 28.390 13.935 1.00 0.00 C ATOM 533 OD1 ASP A 339 17.026 27.322 13.325 1.00 0.00 O ATOM 534 OD2 ASP A 339 17.084 29.505 13.442 1.00 0.00 O ATOM 0 H ASP A 339 14.208 29.244 14.183 1.00 0.00 H new ATOM 0 HA ASP A 339 14.888 26.649 14.911 1.00 0.00 H new ATOM 0 HB2 ASP A 339 16.101 29.333 15.739 1.00 0.00 H new ATOM 0 HB3 ASP A 339 16.885 27.788 16.000 1.00 0.00 H new ATOM 539 N GLU A 340 13.920 28.520 17.471 1.00 0.00 N ATOM 540 CA GLU A 340 13.386 28.538 18.853 1.00 0.00 C ATOM 541 C GLU A 340 12.331 27.432 19.091 1.00 0.00 C ATOM 542 O GLU A 340 12.438 26.637 20.025 1.00 0.00 O ATOM 543 CB GLU A 340 12.746 29.929 19.115 1.00 0.00 C ATOM 544 CG GLU A 340 12.041 30.096 20.477 1.00 0.00 C ATOM 545 CD GLU A 340 12.984 29.998 21.686 1.00 0.00 C ATOM 546 OE1 GLU A 340 12.993 28.953 22.370 1.00 0.00 O ATOM 547 OE2 GLU A 340 13.714 30.976 21.956 1.00 0.00 O ATOM 0 H GLU A 340 13.906 29.437 17.024 1.00 0.00 H new ATOM 0 HA GLU A 340 14.211 28.349 19.539 1.00 0.00 H new ATOM 0 HB2 GLU A 340 13.525 30.688 19.034 1.00 0.00 H new ATOM 0 HB3 GLU A 340 12.022 30.130 18.325 1.00 0.00 H new ATOM 0 HG2 GLU A 340 11.539 31.063 20.498 1.00 0.00 H new ATOM 0 HG3 GLU A 340 11.268 29.334 20.570 1.00 0.00 H new ATOM 554 N CYS A 341 11.323 27.394 18.214 1.00 0.00 N ATOM 555 CA CYS A 341 10.157 26.502 18.358 1.00 0.00 C ATOM 556 C CYS A 341 10.407 25.124 17.720 1.00 0.00 C ATOM 557 O CYS A 341 9.601 24.203 17.914 1.00 0.00 O ATOM 558 CB CYS A 341 8.918 27.175 17.716 1.00 0.00 C ATOM 559 SG CYS A 341 8.393 28.706 18.548 1.00 0.00 S ATOM 0 H CYS A 341 11.288 27.981 17.380 1.00 0.00 H new ATOM 0 HA CYS A 341 9.981 26.337 19.421 1.00 0.00 H new ATOM 0 HB2 CYS A 341 9.139 27.398 16.672 1.00 0.00 H new ATOM 0 HB3 CYS A 341 8.089 26.467 17.722 1.00 0.00 H new ATOM 0 HG CYS A 341 7.974 29.560 17.662 1.00 0.00 H new ATOM 564 N ASP A 342 11.524 25.002 16.958 1.00 0.00 N ATOM 565 CA ASP A 342 11.839 23.817 16.114 1.00 0.00 C ATOM 566 C ASP A 342 10.659 23.458 15.193 1.00 0.00 C ATOM 567 O ASP A 342 10.400 22.285 14.893 1.00 0.00 O ATOM 568 CB ASP A 342 12.268 22.597 16.991 1.00 0.00 C ATOM 569 CG ASP A 342 13.611 22.818 17.703 1.00 0.00 C ATOM 570 OD1 ASP A 342 14.634 22.240 17.264 1.00 0.00 O ATOM 571 OD2 ASP A 342 13.655 23.584 18.689 1.00 0.00 O ATOM 0 H ASP A 342 12.238 25.729 16.911 1.00 0.00 H new ATOM 0 HA ASP A 342 12.684 24.079 15.477 1.00 0.00 H new ATOM 0 HB2 ASP A 342 11.496 22.401 17.735 1.00 0.00 H new ATOM 0 HB3 ASP A 342 12.337 21.710 16.362 1.00 0.00 H new ATOM 576 N MET A 343 9.980 24.503 14.713 1.00 0.00 N ATOM 577 CA MET A 343 8.732 24.376 13.964 1.00 0.00 C ATOM 578 C MET A 343 8.830 25.183 12.681 1.00 0.00 C ATOM 579 O MET A 343 9.227 26.362 12.712 1.00 0.00 O ATOM 580 CB MET A 343 7.534 24.887 14.824 1.00 0.00 C ATOM 581 CG MET A 343 6.126 24.576 14.259 1.00 0.00 C ATOM 582 SD MET A 343 5.330 23.158 15.058 1.00 0.00 S ATOM 583 CE MET A 343 6.469 21.799 14.752 1.00 0.00 C ATOM 0 H MET A 343 10.286 25.468 14.836 1.00 0.00 H new ATOM 0 HA MET A 343 8.564 23.327 13.721 1.00 0.00 H new ATOM 0 HB2 MET A 343 7.612 24.450 15.819 1.00 0.00 H new ATOM 0 HB3 MET A 343 7.629 25.966 14.942 1.00 0.00 H new ATOM 0 HG2 MET A 343 5.492 25.455 14.379 1.00 0.00 H new ATOM 0 HG3 MET A 343 6.206 24.384 13.189 1.00 0.00 H new ATOM 0 HE1 MET A 343 5.963 20.852 14.938 1.00 0.00 H new ATOM 0 HE2 MET A 343 6.806 21.833 13.716 1.00 0.00 H new ATOM 0 HE3 MET A 343 7.329 21.888 15.416 1.00 0.00 H new ATOM 593 N ALA A 344 8.479 24.543 11.562 1.00 0.00 N ATOM 594 CA ALA A 344 8.319 25.217 10.278 1.00 0.00 C ATOM 595 C ALA A 344 7.082 26.121 10.318 1.00 0.00 C ATOM 596 O ALA A 344 6.126 25.866 11.064 1.00 0.00 O ATOM 597 CB ALA A 344 8.202 24.199 9.132 1.00 0.00 C ATOM 0 H ALA A 344 8.298 23.540 11.525 1.00 0.00 H new ATOM 0 HA ALA A 344 9.203 25.828 10.094 1.00 0.00 H new ATOM 0 HB1 ALA A 344 8.084 24.728 8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 344 9.103 23.587 9.095 1.00 0.00 H new ATOM 0 HB3 ALA A 344 7.336 23.559 9.301 1.00 0.00 H new ATOM 603 N PHE A 345 7.130 27.199 9.549 1.00 0.00 N ATOM 604 CA PHE A 345 5.981 28.092 9.308 1.00 0.00 C ATOM 605 C PHE A 345 5.900 28.361 7.805 1.00 0.00 C ATOM 606 O PHE A 345 6.641 27.763 7.026 1.00 0.00 O ATOM 607 CB PHE A 345 6.108 29.417 10.126 1.00 0.00 C ATOM 608 CG PHE A 345 5.963 29.239 11.644 1.00 0.00 C ATOM 609 CD1 PHE A 345 7.043 28.846 12.439 1.00 0.00 C ATOM 610 CD2 PHE A 345 4.734 29.443 12.271 1.00 0.00 C ATOM 611 CE1 PHE A 345 6.894 28.660 13.800 1.00 0.00 C ATOM 612 CE2 PHE A 345 4.590 29.262 13.636 1.00 0.00 C ATOM 613 CZ PHE A 345 5.668 28.868 14.399 1.00 0.00 C ATOM 0 H PHE A 345 7.977 27.492 9.062 1.00 0.00 H new ATOM 0 HA PHE A 345 5.061 27.615 9.645 1.00 0.00 H new ATOM 0 HB2 PHE A 345 7.078 29.868 9.916 1.00 0.00 H new ATOM 0 HB3 PHE A 345 5.348 30.118 9.780 1.00 0.00 H new ATOM 0 HD1 PHE A 345 8.009 28.685 11.983 1.00 0.00 H new ATOM 0 HD2 PHE A 345 3.881 29.747 11.682 1.00 0.00 H new ATOM 0 HE1 PHE A 345 7.739 28.351 14.397 1.00 0.00 H new ATOM 0 HE2 PHE A 345 3.631 29.430 14.104 1.00 0.00 H new ATOM 0 HZ PHE A 345 5.554 28.722 15.463 1.00 0.00 H new ATOM 623 N HIS A 346 4.963 29.213 7.394 1.00 0.00 N ATOM 624 CA HIS A 346 4.867 29.685 5.999 1.00 0.00 C ATOM 625 C HIS A 346 4.641 31.197 5.999 1.00 0.00 C ATOM 626 O HIS A 346 4.088 31.729 6.962 1.00 0.00 O ATOM 627 CB HIS A 346 3.728 28.955 5.226 1.00 0.00 C ATOM 628 CG HIS A 346 4.028 27.516 4.869 1.00 0.00 C ATOM 629 ND1 HIS A 346 3.316 26.449 5.384 1.00 0.00 N ATOM 630 CD2 HIS A 346 4.962 27.041 4.016 1.00 0.00 C ATOM 631 CE1 HIS A 346 3.843 25.368 4.835 1.00 0.00 C ATOM 632 NE2 HIS A 346 4.847 25.678 4.007 1.00 0.00 N ATOM 0 H HIS A 346 4.248 29.599 8.010 1.00 0.00 H new ATOM 0 HA HIS A 346 5.800 29.455 5.484 1.00 0.00 H new ATOM 0 HB2 HIS A 346 2.821 28.984 5.830 1.00 0.00 H new ATOM 0 HB3 HIS A 346 3.518 29.506 4.309 1.00 0.00 H new ATOM 0 HD2 HIS A 346 5.668 27.628 3.447 1.00 0.00 H new ATOM 0 HE1 HIS A 346 3.505 24.361 5.030 1.00 0.00 H new ATOM 0 HE2 HIS A 346 5.417 25.023 3.472 1.00 0.00 H new ATOM 640 N LEU A 347 5.065 31.862 4.909 1.00 0.00 N ATOM 641 CA LEU A 347 4.885 33.319 4.688 1.00 0.00 C ATOM 642 C LEU A 347 3.411 33.764 4.854 1.00 0.00 C ATOM 643 O LEU A 347 3.125 34.830 5.404 1.00 0.00 O ATOM 644 CB LEU A 347 5.398 33.675 3.262 1.00 0.00 C ATOM 645 CG LEU A 347 6.948 33.639 3.068 1.00 0.00 C ATOM 646 CD1 LEU A 347 7.349 33.841 1.590 1.00 0.00 C ATOM 647 CD2 LEU A 347 7.626 34.695 3.964 1.00 0.00 C ATOM 0 H LEU A 347 5.551 31.399 4.141 1.00 0.00 H new ATOM 0 HA LEU A 347 5.460 33.853 5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 347 4.946 32.984 2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 347 5.042 34.673 3.007 1.00 0.00 H new ATOM 0 HG LEU A 347 7.294 32.649 3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 347 8.435 33.809 1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 347 6.911 33.049 0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 347 6.985 34.808 1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 347 8.705 34.657 3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 347 7.258 35.687 3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 347 7.394 34.489 5.009 1.00 0.00 H new ATOM 659 N TYR A 348 2.503 32.901 4.391 1.00 0.00 N ATOM 660 CA TYR A 348 1.045 33.139 4.382 1.00 0.00 C ATOM 661 C TYR A 348 0.363 32.497 5.616 1.00 0.00 C ATOM 662 O TYR A 348 -0.848 32.622 5.795 1.00 0.00 O ATOM 663 CB TYR A 348 0.436 32.630 3.031 1.00 0.00 C ATOM 664 CG TYR A 348 0.774 31.162 2.638 1.00 0.00 C ATOM 665 CD1 TYR A 348 -0.199 30.158 2.646 1.00 0.00 C ATOM 666 CD2 TYR A 348 2.070 30.797 2.246 1.00 0.00 C ATOM 667 CE1 TYR A 348 0.111 28.855 2.285 1.00 0.00 C ATOM 668 CE2 TYR A 348 2.378 29.502 1.890 1.00 0.00 C ATOM 669 CZ TYR A 348 1.399 28.536 1.906 1.00 0.00 C ATOM 670 OH TYR A 348 1.722 27.243 1.555 1.00 0.00 O ATOM 0 H TYR A 348 2.760 31.994 4.001 1.00 0.00 H new ATOM 0 HA TYR A 348 0.857 34.210 4.453 1.00 0.00 H new ATOM 0 HB2 TYR A 348 -0.648 32.730 3.084 1.00 0.00 H new ATOM 0 HB3 TYR A 348 0.778 33.287 2.231 1.00 0.00 H new ATOM 0 HD1 TYR A 348 -1.210 30.401 2.938 1.00 0.00 H new ATOM 0 HD2 TYR A 348 2.845 31.549 2.223 1.00 0.00 H new ATOM 0 HE1 TYR A 348 -0.654 28.092 2.301 1.00 0.00 H new ATOM 0 HE2 TYR A 348 3.386 29.246 1.599 1.00 0.00 H new ATOM 0 HH TYR A 348 2.050 27.227 0.632 1.00 0.00 H new ATOM 680 N CYS A 349 1.162 31.824 6.471 1.00 0.00 N ATOM 681 CA CYS A 349 0.698 31.259 7.766 1.00 0.00 C ATOM 682 C CYS A 349 1.066 32.200 8.943 1.00 0.00 C ATOM 683 O CYS A 349 0.930 31.817 10.110 1.00 0.00 O ATOM 684 CB CYS A 349 1.322 29.857 7.996 1.00 0.00 C ATOM 685 SG CYS A 349 0.754 28.569 6.843 1.00 0.00 S ATOM 0 H CYS A 349 2.151 31.654 6.286 1.00 0.00 H new ATOM 0 HA CYS A 349 -0.387 31.164 7.725 1.00 0.00 H new ATOM 0 HB2 CYS A 349 2.406 29.941 7.919 1.00 0.00 H new ATOM 0 HB3 CYS A 349 1.098 29.538 9.014 1.00 0.00 H new ATOM 0 HG CYS A 349 0.855 29.004 5.622 1.00 0.00 H new ATOM 690 N LEU A 350 1.545 33.423 8.624 1.00 0.00 N ATOM 691 CA LEU A 350 1.976 34.420 9.635 1.00 0.00 C ATOM 692 C LEU A 350 0.878 35.474 9.877 1.00 0.00 C ATOM 693 O LEU A 350 -0.046 35.621 9.069 1.00 0.00 O ATOM 694 CB LEU A 350 3.289 35.123 9.178 1.00 0.00 C ATOM 695 CG LEU A 350 4.506 34.183 8.915 1.00 0.00 C ATOM 696 CD1 LEU A 350 5.738 34.977 8.437 1.00 0.00 C ATOM 697 CD2 LEU A 350 4.835 33.319 10.159 1.00 0.00 C ATOM 0 H LEU A 350 1.644 33.748 7.662 1.00 0.00 H new ATOM 0 HA LEU A 350 2.159 33.890 10.570 1.00 0.00 H new ATOM 0 HB2 LEU A 350 3.081 35.681 8.265 1.00 0.00 H new ATOM 0 HB3 LEU A 350 3.573 35.850 9.939 1.00 0.00 H new ATOM 0 HG LEU A 350 4.225 33.502 8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 350 6.568 34.292 8.263 1.00 0.00 H new ATOM 0 HD12 LEU A 350 5.498 35.498 7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 350 6.021 35.703 9.199 1.00 0.00 H new ATOM 0 HD21 LEU A 350 5.688 32.676 9.940 1.00 0.00 H new ATOM 0 HD22 LEU A 350 5.077 33.969 11.000 1.00 0.00 H new ATOM 0 HD23 LEU A 350 3.972 32.703 10.413 1.00 0.00 H new ATOM 709 N LYS A 351 1.009 36.207 10.998 1.00 0.00 N ATOM 710 CA LYS A 351 0.151 37.359 11.334 1.00 0.00 C ATOM 711 C LYS A 351 1.087 38.459 11.908 1.00 0.00 C ATOM 712 O LYS A 351 1.567 38.318 13.039 1.00 0.00 O ATOM 713 CB LYS A 351 -0.976 36.943 12.349 1.00 0.00 C ATOM 714 CG LYS A 351 -2.277 37.798 12.301 1.00 0.00 C ATOM 715 CD LYS A 351 -2.091 39.275 12.735 1.00 0.00 C ATOM 716 CE LYS A 351 -3.402 40.089 12.670 1.00 0.00 C ATOM 717 NZ LYS A 351 -3.209 41.505 13.082 1.00 0.00 N ATOM 0 H LYS A 351 1.720 36.014 11.703 1.00 0.00 H new ATOM 0 HA LYS A 351 -0.371 37.736 10.455 1.00 0.00 H new ATOM 0 HB2 LYS A 351 -1.240 35.902 12.164 1.00 0.00 H new ATOM 0 HB3 LYS A 351 -0.567 36.993 13.358 1.00 0.00 H new ATOM 0 HG2 LYS A 351 -2.673 37.778 11.286 1.00 0.00 H new ATOM 0 HG3 LYS A 351 -3.025 37.335 12.944 1.00 0.00 H new ATOM 0 HD2 LYS A 351 -1.702 39.303 13.753 1.00 0.00 H new ATOM 0 HD3 LYS A 351 -1.345 39.746 12.095 1.00 0.00 H new ATOM 0 HE2 LYS A 351 -3.795 40.059 11.654 1.00 0.00 H new ATOM 0 HE3 LYS A 351 -4.148 39.624 13.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 -4.116 42.011 13.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 -2.859 41.537 14.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 -2.517 41.959 12.452 1.00 0.00 H new ATOM 731 N PRO A 352 1.405 39.558 11.136 1.00 0.00 N ATOM 732 CA PRO A 352 0.920 39.784 9.745 1.00 0.00 C ATOM 733 C PRO A 352 1.721 38.955 8.693 1.00 0.00 C ATOM 734 O PRO A 352 2.935 38.749 8.860 1.00 0.00 O ATOM 735 CB PRO A 352 1.124 41.310 9.568 1.00 0.00 C ATOM 736 CG PRO A 352 2.330 41.628 10.406 1.00 0.00 C ATOM 737 CD PRO A 352 2.268 40.686 11.598 1.00 0.00 C ATOM 0 HA PRO A 352 -0.110 39.463 9.591 1.00 0.00 H new ATOM 0 HB2 PRO A 352 1.288 41.570 8.522 1.00 0.00 H new ATOM 0 HB3 PRO A 352 0.250 41.869 9.902 1.00 0.00 H new ATOM 0 HG2 PRO A 352 3.249 41.481 9.839 1.00 0.00 H new ATOM 0 HG3 PRO A 352 2.318 42.669 10.729 1.00 0.00 H new ATOM 0 HD2 PRO A 352 3.261 40.337 11.880 1.00 0.00 H new ATOM 0 HD3 PRO A 352 1.843 41.179 12.472 1.00 0.00 H new ATOM 745 N PRO A 353 1.046 38.452 7.599 1.00 0.00 N ATOM 746 CA PRO A 353 1.701 37.597 6.575 1.00 0.00 C ATOM 747 C PRO A 353 2.761 38.368 5.745 1.00 0.00 C ATOM 748 O PRO A 353 2.492 39.462 5.236 1.00 0.00 O ATOM 749 CB PRO A 353 0.512 37.109 5.701 1.00 0.00 C ATOM 750 CG PRO A 353 -0.536 38.168 5.861 1.00 0.00 C ATOM 751 CD PRO A 353 -0.402 38.665 7.288 1.00 0.00 C ATOM 0 HA PRO A 353 2.266 36.776 7.017 1.00 0.00 H new ATOM 0 HB2 PRO A 353 0.807 36.998 4.658 1.00 0.00 H new ATOM 0 HB3 PRO A 353 0.148 36.137 6.035 1.00 0.00 H new ATOM 0 HG2 PRO A 353 -0.386 38.979 5.148 1.00 0.00 H new ATOM 0 HG3 PRO A 353 -1.532 37.764 5.679 1.00 0.00 H new ATOM 0 HD2 PRO A 353 -0.681 39.715 7.375 1.00 0.00 H new ATOM 0 HD3 PRO A 353 -1.045 38.107 7.969 1.00 0.00 H new ATOM 759 N LEU A 354 3.968 37.784 5.634 1.00 0.00 N ATOM 760 CA LEU A 354 5.101 38.375 4.891 1.00 0.00 C ATOM 761 C LEU A 354 5.121 37.859 3.445 1.00 0.00 C ATOM 762 O LEU A 354 4.593 36.781 3.165 1.00 0.00 O ATOM 763 CB LEU A 354 6.441 38.023 5.602 1.00 0.00 C ATOM 764 CG LEU A 354 6.606 38.559 7.061 1.00 0.00 C ATOM 765 CD1 LEU A 354 7.902 38.019 7.713 1.00 0.00 C ATOM 766 CD2 LEU A 354 6.569 40.109 7.102 1.00 0.00 C ATOM 0 H LEU A 354 4.188 36.883 6.059 1.00 0.00 H new ATOM 0 HA LEU A 354 4.980 39.458 4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 354 6.545 36.938 5.621 1.00 0.00 H new ATOM 0 HB3 LEU A 354 7.262 38.411 4.999 1.00 0.00 H new ATOM 0 HG LEU A 354 5.760 38.191 7.642 1.00 0.00 H new ATOM 0 HD11 LEU A 354 7.989 38.409 8.727 1.00 0.00 H new ATOM 0 HD12 LEU A 354 7.867 36.930 7.745 1.00 0.00 H new ATOM 0 HD13 LEU A 354 8.764 38.337 7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 354 6.686 40.449 8.131 1.00 0.00 H new ATOM 0 HD22 LEU A 354 7.380 40.509 6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 354 5.614 40.461 6.711 1.00 0.00 H new ATOM 778 N THR A 355 5.728 38.636 2.529 1.00 0.00 N ATOM 779 CA THR A 355 5.928 38.220 1.120 1.00 0.00 C ATOM 780 C THR A 355 7.319 37.569 0.933 1.00 0.00 C ATOM 781 O THR A 355 7.561 36.876 -0.063 1.00 0.00 O ATOM 782 CB THR A 355 5.746 39.427 0.124 1.00 0.00 C ATOM 783 OG1 THR A 355 5.784 38.973 -1.245 1.00 0.00 O ATOM 784 CG2 THR A 355 6.811 40.530 0.319 1.00 0.00 C ATOM 0 H THR A 355 6.093 39.565 2.738 1.00 0.00 H new ATOM 0 HA THR A 355 5.162 37.481 0.887 1.00 0.00 H new ATOM 0 HB THR A 355 4.770 39.858 0.348 1.00 0.00 H new ATOM 0 HG1 THR A 355 6.338 38.167 -1.307 1.00 0.00 H new ATOM 0 HG21 THR A 355 6.635 41.335 -0.394 1.00 0.00 H new ATOM 0 HG22 THR A 355 6.746 40.923 1.334 1.00 0.00 H new ATOM 0 HG23 THR A 355 7.804 40.110 0.155 1.00 0.00 H new ATOM 792 N SER A 356 8.217 37.780 1.922 1.00 0.00 N ATOM 793 CA SER A 356 9.608 37.279 1.889 1.00 0.00 C ATOM 794 C SER A 356 10.176 37.188 3.322 1.00 0.00 C ATOM 795 O SER A 356 9.559 37.678 4.281 1.00 0.00 O ATOM 796 CB SER A 356 10.482 38.212 1.010 1.00 0.00 C ATOM 797 OG SER A 356 11.809 37.726 0.877 1.00 0.00 O ATOM 0 H SER A 356 7.995 38.305 2.768 1.00 0.00 H new ATOM 0 HA SER A 356 9.619 36.280 1.454 1.00 0.00 H new ATOM 0 HB2 SER A 356 10.030 38.308 0.023 1.00 0.00 H new ATOM 0 HB3 SER A 356 10.503 39.209 1.449 1.00 0.00 H new ATOM 0 HG SER A 356 12.327 38.340 0.316 1.00 0.00 H new ATOM 803 N VAL A 357 11.343 36.530 3.463 1.00 0.00 N ATOM 804 CA VAL A 357 12.072 36.440 4.742 1.00 0.00 C ATOM 805 C VAL A 357 12.782 37.793 5.042 1.00 0.00 C ATOM 806 O VAL A 357 13.300 38.428 4.114 1.00 0.00 O ATOM 807 CB VAL A 357 13.119 35.245 4.718 1.00 0.00 C ATOM 808 CG1 VAL A 357 14.153 35.402 3.573 1.00 0.00 C ATOM 809 CG2 VAL A 357 13.830 35.060 6.090 1.00 0.00 C ATOM 0 H VAL A 357 11.806 36.046 2.694 1.00 0.00 H new ATOM 0 HA VAL A 357 11.356 36.235 5.538 1.00 0.00 H new ATOM 0 HB VAL A 357 12.546 34.339 4.523 1.00 0.00 H new ATOM 0 HG11 VAL A 357 14.849 34.564 3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 357 13.635 35.419 2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 357 14.703 36.334 3.705 1.00 0.00 H new ATOM 0 HG21 VAL A 357 14.536 34.232 6.025 1.00 0.00 H new ATOM 0 HG22 VAL A 357 14.365 35.974 6.349 1.00 0.00 H new ATOM 0 HG23 VAL A 357 13.088 34.844 6.858 1.00 0.00 H new ATOM 819 N PRO A 358 12.758 38.300 6.325 1.00 0.00 N ATOM 820 CA PRO A 358 13.581 39.474 6.750 1.00 0.00 C ATOM 821 C PRO A 358 15.108 39.227 6.566 1.00 0.00 C ATOM 822 O PRO A 358 15.534 38.073 6.439 1.00 0.00 O ATOM 823 CB PRO A 358 13.205 39.651 8.256 1.00 0.00 C ATOM 824 CG PRO A 358 12.625 38.334 8.665 1.00 0.00 C ATOM 825 CD PRO A 358 11.900 37.822 7.445 1.00 0.00 C ATOM 0 HA PRO A 358 13.379 40.361 6.150 1.00 0.00 H new ATOM 0 HB2 PRO A 358 14.081 39.900 8.855 1.00 0.00 H new ATOM 0 HB3 PRO A 358 12.486 40.459 8.391 1.00 0.00 H new ATOM 0 HG2 PRO A 358 13.406 37.641 8.978 1.00 0.00 H new ATOM 0 HG3 PRO A 358 11.944 38.449 9.508 1.00 0.00 H new ATOM 0 HD2 PRO A 358 11.813 36.735 7.453 1.00 0.00 H new ATOM 0 HD3 PRO A 358 10.888 38.222 7.378 1.00 0.00 H new ATOM 833 N PRO A 359 15.967 40.309 6.575 1.00 0.00 N ATOM 834 CA PRO A 359 17.453 40.164 6.456 1.00 0.00 C ATOM 835 C PRO A 359 18.112 39.555 7.726 1.00 0.00 C ATOM 836 O PRO A 359 19.346 39.435 7.794 1.00 0.00 O ATOM 837 CB PRO A 359 17.928 41.621 6.211 1.00 0.00 C ATOM 838 CG PRO A 359 16.903 42.458 6.907 1.00 0.00 C ATOM 839 CD PRO A 359 15.581 41.754 6.668 1.00 0.00 C ATOM 0 HA PRO A 359 17.735 39.472 5.663 1.00 0.00 H new ATOM 0 HB2 PRO A 359 18.925 41.790 6.619 1.00 0.00 H new ATOM 0 HB3 PRO A 359 17.976 41.852 5.147 1.00 0.00 H new ATOM 0 HG2 PRO A 359 17.119 42.538 7.972 1.00 0.00 H new ATOM 0 HG3 PRO A 359 16.886 43.472 6.508 1.00 0.00 H new ATOM 0 HD2 PRO A 359 14.879 41.930 7.483 1.00 0.00 H new ATOM 0 HD3 PRO A 359 15.101 42.101 5.753 1.00 0.00 H new ATOM 847 N GLU A 360 17.282 39.202 8.729 1.00 0.00 N ATOM 848 CA GLU A 360 17.715 38.526 9.956 1.00 0.00 C ATOM 849 C GLU A 360 18.252 37.108 9.631 1.00 0.00 C ATOM 850 O GLU A 360 17.569 36.334 8.935 1.00 0.00 O ATOM 851 CB GLU A 360 16.528 38.454 10.958 1.00 0.00 C ATOM 852 CG GLU A 360 16.013 39.837 11.418 1.00 0.00 C ATOM 853 CD GLU A 360 14.770 39.763 12.327 1.00 0.00 C ATOM 854 OE1 GLU A 360 13.634 39.921 11.821 1.00 0.00 O ATOM 855 OE2 GLU A 360 14.918 39.560 13.551 1.00 0.00 O ATOM 0 H GLU A 360 16.279 39.384 8.703 1.00 0.00 H new ATOM 0 HA GLU A 360 18.525 39.094 10.413 1.00 0.00 H new ATOM 0 HB2 GLU A 360 15.707 37.907 10.495 1.00 0.00 H new ATOM 0 HB3 GLU A 360 16.838 37.883 11.833 1.00 0.00 H new ATOM 0 HG2 GLU A 360 16.812 40.354 11.950 1.00 0.00 H new ATOM 0 HG3 GLU A 360 15.775 40.437 10.540 1.00 0.00 H new ATOM 862 N PRO A 361 19.478 36.746 10.128 1.00 0.00 N ATOM 863 CA PRO A 361 20.077 35.409 9.896 1.00 0.00 C ATOM 864 C PRO A 361 19.433 34.322 10.793 1.00 0.00 C ATOM 865 O PRO A 361 19.639 33.127 10.581 1.00 0.00 O ATOM 866 CB PRO A 361 21.562 35.644 10.251 1.00 0.00 C ATOM 867 CG PRO A 361 21.521 36.690 11.323 1.00 0.00 C ATOM 868 CD PRO A 361 20.374 37.607 10.961 1.00 0.00 C ATOM 0 HA PRO A 361 19.928 35.039 8.882 1.00 0.00 H new ATOM 0 HB2 PRO A 361 22.037 34.729 10.605 1.00 0.00 H new ATOM 0 HB3 PRO A 361 22.130 35.983 9.385 1.00 0.00 H new ATOM 0 HG2 PRO A 361 21.367 36.239 12.303 1.00 0.00 H new ATOM 0 HG3 PRO A 361 22.461 37.239 11.369 1.00 0.00 H new ATOM 0 HD2 PRO A 361 19.861 37.976 11.849 1.00 0.00 H new ATOM 0 HD3 PRO A 361 20.719 38.480 10.406 1.00 0.00 H new ATOM 876 N GLU A 362 18.662 34.776 11.795 1.00 0.00 N ATOM 877 CA GLU A 362 17.941 33.923 12.752 1.00 0.00 C ATOM 878 C GLU A 362 16.469 34.373 12.775 1.00 0.00 C ATOM 879 O GLU A 362 16.125 35.430 13.325 1.00 0.00 O ATOM 880 CB GLU A 362 18.621 34.018 14.152 1.00 0.00 C ATOM 881 CG GLU A 362 18.878 35.458 14.638 1.00 0.00 C ATOM 882 CD GLU A 362 19.742 35.527 15.905 1.00 0.00 C ATOM 883 OE1 GLU A 362 19.185 35.591 17.023 1.00 0.00 O ATOM 884 OE2 GLU A 362 20.989 35.499 15.783 1.00 0.00 O ATOM 0 H GLU A 362 18.520 35.772 11.965 1.00 0.00 H new ATOM 0 HA GLU A 362 17.975 32.874 12.457 1.00 0.00 H new ATOM 0 HB2 GLU A 362 17.994 33.507 14.883 1.00 0.00 H new ATOM 0 HB3 GLU A 362 19.571 33.484 14.118 1.00 0.00 H new ATOM 0 HG2 GLU A 362 19.367 36.021 13.843 1.00 0.00 H new ATOM 0 HG3 GLU A 362 17.922 35.945 14.832 1.00 0.00 H new ATOM 891 N TRP A 363 15.613 33.597 12.101 1.00 0.00 N ATOM 892 CA TRP A 363 14.187 33.922 11.975 1.00 0.00 C ATOM 893 C TRP A 363 13.414 33.332 13.162 1.00 0.00 C ATOM 894 O TRP A 363 13.496 32.124 13.458 1.00 0.00 O ATOM 895 CB TRP A 363 13.587 33.416 10.628 1.00 0.00 C ATOM 896 CG TRP A 363 12.146 33.856 10.416 1.00 0.00 C ATOM 897 CD1 TRP A 363 11.727 35.035 9.871 1.00 0.00 C ATOM 898 CD2 TRP A 363 10.952 33.143 10.779 1.00 0.00 C ATOM 899 NE1 TRP A 363 10.360 35.100 9.873 1.00 0.00 N ATOM 900 CE2 TRP A 363 9.861 33.956 10.426 1.00 0.00 C ATOM 901 CE3 TRP A 363 10.698 31.903 11.370 1.00 0.00 C ATOM 902 CZ2 TRP A 363 8.543 33.568 10.636 1.00 0.00 C ATOM 903 CZ3 TRP A 363 9.389 31.520 11.579 1.00 0.00 C ATOM 904 CH2 TRP A 363 8.324 32.352 11.214 1.00 0.00 C ATOM 0 H TRP A 363 15.885 32.734 11.631 1.00 0.00 H new ATOM 0 HA TRP A 363 14.090 35.008 11.980 1.00 0.00 H new ATOM 0 HB2 TRP A 363 14.198 33.783 9.804 1.00 0.00 H new ATOM 0 HB3 TRP A 363 13.636 32.327 10.601 1.00 0.00 H new ATOM 0 HD1 TRP A 363 12.381 35.807 9.492 1.00 0.00 H new ATOM 0 HE1 TRP A 363 9.804 35.878 9.518 1.00 0.00 H new ATOM 0 HE3 TRP A 363 11.512 31.255 11.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 363 7.720 34.207 10.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 363 9.182 30.562 12.032 1.00 0.00 H new ATOM 0 HH2 TRP A 363 7.310 32.025 11.393 1.00 0.00 H new ATOM 915 N TYR A 364 12.668 34.200 13.843 1.00 0.00 N ATOM 916 CA TYR A 364 11.724 33.811 14.888 1.00 0.00 C ATOM 917 C TYR A 364 10.301 34.119 14.411 1.00 0.00 C ATOM 918 O TYR A 364 10.091 35.007 13.573 1.00 0.00 O ATOM 919 CB TYR A 364 12.058 34.546 16.209 1.00 0.00 C ATOM 920 CG TYR A 364 13.477 34.246 16.726 1.00 0.00 C ATOM 921 CD1 TYR A 364 14.530 35.157 16.556 1.00 0.00 C ATOM 922 CD2 TYR A 364 13.769 33.031 17.347 1.00 0.00 C ATOM 923 CE1 TYR A 364 15.808 34.859 16.990 1.00 0.00 C ATOM 924 CE2 TYR A 364 15.042 32.739 17.786 1.00 0.00 C ATOM 925 CZ TYR A 364 16.058 33.650 17.604 1.00 0.00 C ATOM 926 OH TYR A 364 17.328 33.344 18.044 1.00 0.00 O ATOM 0 H TYR A 364 12.703 35.207 13.682 1.00 0.00 H new ATOM 0 HA TYR A 364 11.800 32.742 15.085 1.00 0.00 H new ATOM 0 HB2 TYR A 364 11.953 35.620 16.057 1.00 0.00 H new ATOM 0 HB3 TYR A 364 11.332 34.260 16.970 1.00 0.00 H new ATOM 0 HD1 TYR A 364 14.339 36.107 16.078 1.00 0.00 H new ATOM 0 HD2 TYR A 364 12.982 32.305 17.486 1.00 0.00 H new ATOM 0 HE1 TYR A 364 16.608 35.571 16.849 1.00 0.00 H new ATOM 0 HE2 TYR A 364 15.243 31.796 18.273 1.00 0.00 H new ATOM 0 HH TYR A 364 17.954 34.034 17.740 1.00 0.00 H new ATOM 936 N CYS A 365 9.328 33.361 14.919 1.00 0.00 N ATOM 937 CA CYS A 365 7.906 33.547 14.570 1.00 0.00 C ATOM 938 C CYS A 365 7.314 34.734 15.363 1.00 0.00 C ATOM 939 O CYS A 365 7.885 35.107 16.398 1.00 0.00 O ATOM 940 CB CYS A 365 7.135 32.238 14.850 1.00 0.00 C ATOM 941 SG CYS A 365 7.066 31.755 16.601 1.00 0.00 S ATOM 0 H CYS A 365 9.495 32.603 15.581 1.00 0.00 H new ATOM 0 HA CYS A 365 7.813 33.781 13.509 1.00 0.00 H new ATOM 0 HB2 CYS A 365 6.117 32.346 14.477 1.00 0.00 H new ATOM 0 HB3 CYS A 365 7.599 31.431 14.283 1.00 0.00 H new ATOM 0 HG CYS A 365 8.188 32.064 17.181 1.00 0.00 H new ATOM 946 N PRO A 366 6.179 35.370 14.895 1.00 0.00 N ATOM 947 CA PRO A 366 5.474 36.432 15.670 1.00 0.00 C ATOM 948 C PRO A 366 5.108 35.952 17.096 1.00 0.00 C ATOM 949 O PRO A 366 5.144 36.724 18.050 1.00 0.00 O ATOM 950 CB PRO A 366 4.210 36.738 14.810 1.00 0.00 C ATOM 951 CG PRO A 366 4.094 35.577 13.860 1.00 0.00 C ATOM 952 CD PRO A 366 5.512 35.154 13.577 1.00 0.00 C ATOM 0 HA PRO A 366 6.090 37.317 15.831 1.00 0.00 H new ATOM 0 HB2 PRO A 366 3.321 36.828 15.434 1.00 0.00 H new ATOM 0 HB3 PRO A 366 4.318 37.679 14.271 1.00 0.00 H new ATOM 0 HG2 PRO A 366 3.521 34.762 14.302 1.00 0.00 H new ATOM 0 HG3 PRO A 366 3.580 35.868 12.944 1.00 0.00 H new ATOM 0 HD2 PRO A 366 5.570 34.113 13.258 1.00 0.00 H new ATOM 0 HD3 PRO A 366 5.966 35.755 12.789 1.00 0.00 H new ATOM 960 N SER A 367 4.824 34.644 17.211 1.00 0.00 N ATOM 961 CA SER A 367 4.495 33.956 18.475 1.00 0.00 C ATOM 962 C SER A 367 5.630 34.058 19.543 1.00 0.00 C ATOM 963 O SER A 367 5.377 33.915 20.741 1.00 0.00 O ATOM 964 CB SER A 367 4.217 32.473 18.155 1.00 0.00 C ATOM 965 OG SER A 367 3.425 32.329 16.983 1.00 0.00 O ATOM 0 H SER A 367 4.816 34.017 16.406 1.00 0.00 H new ATOM 0 HA SER A 367 3.621 34.444 18.906 1.00 0.00 H new ATOM 0 HB2 SER A 367 5.162 31.946 18.023 1.00 0.00 H new ATOM 0 HB3 SER A 367 3.707 32.008 18.999 1.00 0.00 H new ATOM 0 HG SER A 367 3.269 31.377 16.808 1.00 0.00 H new ATOM 971 N CYS A 368 6.879 34.269 19.077 1.00 0.00 N ATOM 972 CA CYS A 368 8.062 34.404 19.956 1.00 0.00 C ATOM 973 C CYS A 368 8.177 35.831 20.540 1.00 0.00 C ATOM 974 O CYS A 368 8.458 35.988 21.736 1.00 0.00 O ATOM 975 CB CYS A 368 9.357 33.998 19.191 1.00 0.00 C ATOM 976 SG CYS A 368 9.751 32.221 19.278 1.00 0.00 S ATOM 0 H CYS A 368 7.096 34.351 18.084 1.00 0.00 H new ATOM 0 HA CYS A 368 7.935 33.724 20.798 1.00 0.00 H new ATOM 0 HB2 CYS A 368 9.252 34.284 18.145 1.00 0.00 H new ATOM 0 HB3 CYS A 368 10.196 34.565 19.594 1.00 0.00 H new ATOM 0 HG CYS A 368 10.045 31.783 18.090 1.00 0.00 H new