USER MOD reduce.3.24.130724 H: found=0, std=0, add=341, rem=0, adj=15 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 -111:sc= -1.05! USER MOD Set 1.2: A 341 CYS SG : rot 70:sc= 0.786 USER MOD Set 1.3: A 365 CYS SG : rot -33:sc= -1.38 USER MOD Set 1.4: A 368 CYS SG : rot 143:sc= -3.25! USER MOD Set 2.1: A 323 CYS SG : rot -164:sc= 0.158 USER MOD Set 2.2: A 326 CYS SG : rot -59:sc= 0.273 USER MOD Set 2.3: A 346 HIS : no HD1:sc= -0.98 K(o=-3.8,f=-5.7!) USER MOD Set 2.4: A 348 TYR OH : rot 180:sc= -0.123 USER MOD Set 2.5: A 349 CYS SG : rot 33:sc= -3.1! USER MOD Set 3.1: A 324 HIS : no HD1:sc= -0.112 K(o=-0.59,f=-2.5) USER MOD Set 3.2: A 343 MET CE :methyl -152:sc= -0.48 (180deg=-1.48!) USER MOD Single : A 334 LYS NZ :NH3+ 168:sc= 0.613 (180deg=0.469) USER MOD Single : A 335 GLN : amide:sc= -1.77 K(o=-1.8,f=-4.6!) USER MOD Single : A 351 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0351) 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 6:sc= 0.619 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 285 N ALA A 322 5.974 19.466 10.697 1.00 0.00 N ATOM 286 CA ALA A 322 5.267 20.251 9.687 1.00 0.00 C ATOM 287 C ALA A 322 5.048 21.687 10.185 1.00 0.00 C ATOM 288 O ALA A 322 5.413 22.045 11.316 1.00 0.00 O ATOM 289 CB ALA A 322 3.917 19.568 9.368 1.00 0.00 C ATOM 0 HA ALA A 322 5.865 20.300 8.777 1.00 0.00 H new ATOM 0 HB1 ALA A 322 3.384 20.149 8.615 1.00 0.00 H new ATOM 0 HB2 ALA A 322 4.099 18.562 8.989 1.00 0.00 H new ATOM 0 HB3 ALA A 322 3.315 19.511 10.275 1.00 0.00 H new ATOM 295 N CYS A 323 4.446 22.498 9.316 1.00 0.00 N ATOM 296 CA CYS A 323 3.929 23.824 9.662 1.00 0.00 C ATOM 297 C CYS A 323 2.513 23.660 10.218 1.00 0.00 C ATOM 298 O CYS A 323 1.557 23.483 9.454 1.00 0.00 O ATOM 299 CB CYS A 323 3.961 24.744 8.421 1.00 0.00 C ATOM 300 SG CYS A 323 2.926 26.240 8.526 1.00 0.00 S ATOM 0 H CYS A 323 4.301 22.250 8.337 1.00 0.00 H new ATOM 0 HA CYS A 323 4.551 24.294 10.424 1.00 0.00 H new ATOM 0 HB2 CYS A 323 4.992 25.049 8.243 1.00 0.00 H new ATOM 0 HB3 CYS A 323 3.645 24.165 7.553 1.00 0.00 H new ATOM 0 HG CYS A 323 2.771 26.745 7.338 1.00 0.00 H new ATOM 305 N HIS A 324 2.408 23.728 11.560 1.00 0.00 N ATOM 306 CA HIS A 324 1.184 23.399 12.330 1.00 0.00 C ATOM 307 C HIS A 324 0.033 24.364 11.994 1.00 0.00 C ATOM 308 O HIS A 324 -1.144 24.011 12.119 1.00 0.00 O ATOM 309 CB HIS A 324 1.485 23.462 13.856 1.00 0.00 C ATOM 310 CG HIS A 324 2.548 22.509 14.343 1.00 0.00 C ATOM 311 ND1 HIS A 324 3.816 22.425 13.813 1.00 0.00 N ATOM 312 CD2 HIS A 324 2.510 21.595 15.350 1.00 0.00 C ATOM 313 CE1 HIS A 324 4.486 21.493 14.497 1.00 0.00 C ATOM 314 NE2 HIS A 324 3.741 20.960 15.443 1.00 0.00 N ATOM 0 H HIS A 324 3.185 24.018 12.154 1.00 0.00 H new ATOM 0 HA HIS A 324 0.877 22.390 12.055 1.00 0.00 H new ATOM 0 HB2 HIS A 324 1.788 24.478 14.108 1.00 0.00 H new ATOM 0 HB3 HIS A 324 0.562 23.260 14.400 1.00 0.00 H new ATOM 0 HD2 HIS A 324 1.655 21.395 15.979 1.00 0.00 H new ATOM 0 HE1 HIS A 324 5.510 21.212 14.299 1.00 0.00 H new ATOM 0 HE2 HIS A 324 4.012 20.233 16.105 1.00 0.00 H new ATOM 322 N VAL A 325 0.406 25.575 11.539 1.00 0.00 N ATOM 323 CA VAL A 325 -0.536 26.668 11.240 1.00 0.00 C ATOM 324 C VAL A 325 -1.522 26.278 10.100 1.00 0.00 C ATOM 325 O VAL A 325 -2.670 26.736 10.077 1.00 0.00 O ATOM 326 CB VAL A 325 0.233 28.002 10.877 1.00 0.00 C ATOM 327 CG1 VAL A 325 -0.721 29.225 10.830 1.00 0.00 C ATOM 328 CG2 VAL A 325 1.409 28.263 11.855 1.00 0.00 C ATOM 0 H VAL A 325 1.380 25.824 11.367 1.00 0.00 H new ATOM 0 HA VAL A 325 -1.121 26.845 12.142 1.00 0.00 H new ATOM 0 HB VAL A 325 0.646 27.866 9.878 1.00 0.00 H new ATOM 0 HG11 VAL A 325 -0.153 30.120 10.577 1.00 0.00 H new ATOM 0 HG12 VAL A 325 -1.490 29.058 10.075 1.00 0.00 H new ATOM 0 HG13 VAL A 325 -1.192 29.357 11.804 1.00 0.00 H new ATOM 0 HG21 VAL A 325 1.915 29.187 11.577 1.00 0.00 H new ATOM 0 HG22 VAL A 325 1.024 28.352 12.871 1.00 0.00 H new ATOM 0 HG23 VAL A 325 2.114 27.434 11.805 1.00 0.00 H new ATOM 338 N CYS A 326 -1.060 25.422 9.161 1.00 0.00 N ATOM 339 CA CYS A 326 -1.919 24.850 8.085 1.00 0.00 C ATOM 340 C CYS A 326 -1.872 23.304 8.093 1.00 0.00 C ATOM 341 O CYS A 326 -2.559 22.656 7.291 1.00 0.00 O ATOM 342 CB CYS A 326 -1.510 25.402 6.693 1.00 0.00 C ATOM 343 SG CYS A 326 0.189 25.003 6.168 1.00 0.00 S ATOM 0 H CYS A 326 -0.091 25.107 9.122 1.00 0.00 H new ATOM 0 HA CYS A 326 -2.945 25.157 8.285 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -2.204 25.013 5.948 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -1.625 26.486 6.702 1.00 0.00 H new ATOM 0 HG CYS A 326 1.033 25.470 7.039 1.00 0.00 H new ATOM 348 N GLY A 327 -1.080 22.733 9.024 1.00 0.00 N ATOM 349 CA GLY A 327 -0.926 21.279 9.168 1.00 0.00 C ATOM 350 C GLY A 327 -0.355 20.585 7.925 1.00 0.00 C ATOM 351 O GLY A 327 -0.938 19.608 7.430 1.00 0.00 O ATOM 0 H GLY A 327 -0.531 23.271 9.695 1.00 0.00 H new ATOM 0 HA2 GLY A 327 -0.273 21.076 10.017 1.00 0.00 H new ATOM 0 HA3 GLY A 327 -1.897 20.843 9.401 1.00 0.00 H new ATOM 355 N GLY A 328 0.787 21.091 7.415 1.00 0.00 N ATOM 356 CA GLY A 328 1.412 20.527 6.209 1.00 0.00 C ATOM 357 C GLY A 328 2.853 20.985 6.001 1.00 0.00 C ATOM 358 O GLY A 328 3.313 21.946 6.634 1.00 0.00 O ATOM 0 H GLY A 328 1.289 21.882 7.818 1.00 0.00 H new ATOM 0 HA2 GLY A 328 1.390 19.439 6.273 1.00 0.00 H new ATOM 0 HA3 GLY A 328 0.820 20.807 5.337 1.00 0.00 H new ATOM 362 N ARG A 329 3.550 20.295 5.083 1.00 0.00 N ATOM 363 CA ARG A 329 4.991 20.495 4.795 1.00 0.00 C ATOM 364 C ARG A 329 5.190 21.097 3.382 1.00 0.00 C ATOM 365 O ARG A 329 6.323 21.253 2.919 1.00 0.00 O ATOM 366 CB ARG A 329 5.715 19.119 4.905 1.00 0.00 C ATOM 367 CG ARG A 329 5.599 18.448 6.296 1.00 0.00 C ATOM 368 CD ARG A 329 6.052 16.978 6.293 1.00 0.00 C ATOM 369 NE ARG A 329 5.157 16.128 5.477 1.00 0.00 N ATOM 370 CZ ARG A 329 5.540 15.331 4.462 1.00 0.00 C ATOM 371 NH1 ARG A 329 6.805 15.291 4.062 1.00 0.00 N ATOM 372 NH2 ARG A 329 4.647 14.594 3.834 1.00 0.00 N ATOM 0 H ARG A 329 3.126 19.568 4.507 1.00 0.00 H new ATOM 0 HA ARG A 329 5.413 21.195 5.516 1.00 0.00 H new ATOM 0 HB2 ARG A 329 5.304 18.444 4.154 1.00 0.00 H new ATOM 0 HB3 ARG A 329 6.770 19.257 4.668 1.00 0.00 H new ATOM 0 HG2 ARG A 329 6.200 19.006 7.014 1.00 0.00 H new ATOM 0 HG3 ARG A 329 4.564 18.503 6.635 1.00 0.00 H new ATOM 0 HD2 ARG A 329 7.069 16.912 5.906 1.00 0.00 H new ATOM 0 HD3 ARG A 329 6.076 16.603 7.316 1.00 0.00 H new ATOM 0 HE ARG A 329 4.163 16.148 5.703 1.00 0.00 H new ATOM 0 HH11 ARG A 329 7.505 15.870 4.526 1.00 0.00 H new ATOM 0 HH12 ARG A 329 7.077 14.681 3.291 1.00 0.00 H new ATOM 0 HH21 ARG A 329 3.668 14.628 4.117 1.00 0.00 H new ATOM 0 HH22 ARG A 329 4.935 13.989 3.065 1.00 0.00 H new ATOM 386 N GLU A 330 4.074 21.470 2.733 1.00 0.00 N ATOM 387 CA GLU A 330 4.032 21.836 1.297 1.00 0.00 C ATOM 388 C GLU A 330 4.375 23.320 1.098 1.00 0.00 C ATOM 389 O GLU A 330 4.193 24.102 2.001 1.00 0.00 O ATOM 390 CB GLU A 330 2.627 21.514 0.734 1.00 0.00 C ATOM 391 CG GLU A 330 2.114 20.129 1.173 1.00 0.00 C ATOM 392 CD GLU A 330 0.840 19.670 0.446 1.00 0.00 C ATOM 393 OE1 GLU A 330 0.916 19.346 -0.760 1.00 0.00 O ATOM 394 OE2 GLU A 330 -0.234 19.598 1.076 1.00 0.00 O ATOM 0 H GLU A 330 3.164 21.528 3.190 1.00 0.00 H new ATOM 0 HA GLU A 330 4.779 21.254 0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 330 1.924 22.279 1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 330 2.658 21.557 -0.355 1.00 0.00 H new ATOM 0 HG2 GLU A 330 2.900 19.393 1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 330 1.920 20.149 2.245 1.00 0.00 H new ATOM 401 N ALA A 331 4.825 23.680 -0.119 1.00 0.00 N ATOM 402 CA ALA A 331 5.422 25.001 -0.434 1.00 0.00 C ATOM 403 C ALA A 331 6.733 25.203 0.370 1.00 0.00 C ATOM 404 O ALA A 331 6.797 26.064 1.263 1.00 0.00 O ATOM 405 CB ALA A 331 4.422 26.165 -0.229 1.00 0.00 C ATOM 0 H ALA A 331 4.786 23.056 -0.925 1.00 0.00 H new ATOM 0 HA ALA A 331 5.672 25.011 -1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 331 4.908 27.110 -0.473 1.00 0.00 H new ATOM 0 HB2 ALA A 331 3.559 26.022 -0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 331 4.094 26.184 0.810 1.00 0.00 H new ATOM 411 N PRO A 332 7.799 24.372 0.080 1.00 0.00 N ATOM 412 CA PRO A 332 9.089 24.426 0.817 1.00 0.00 C ATOM 413 C PRO A 332 9.841 25.758 0.615 1.00 0.00 C ATOM 414 O PRO A 332 10.592 26.200 1.488 1.00 0.00 O ATOM 415 CB PRO A 332 9.882 23.211 0.253 1.00 0.00 C ATOM 416 CG PRO A 332 9.297 22.982 -1.104 1.00 0.00 C ATOM 417 CD PRO A 332 7.829 23.305 -0.969 1.00 0.00 C ATOM 0 HA PRO A 332 8.948 24.375 1.897 1.00 0.00 H new ATOM 0 HB2 PRO A 332 10.949 23.426 0.195 1.00 0.00 H new ATOM 0 HB3 PRO A 332 9.768 22.333 0.888 1.00 0.00 H new ATOM 0 HG2 PRO A 332 9.772 23.620 -1.849 1.00 0.00 H new ATOM 0 HG3 PRO A 332 9.444 21.951 -1.426 1.00 0.00 H new ATOM 0 HD2 PRO A 332 7.407 23.657 -1.911 1.00 0.00 H new ATOM 0 HD3 PRO A 332 7.252 22.431 -0.668 1.00 0.00 H new ATOM 425 N GLU A 333 9.593 26.390 -0.542 1.00 0.00 N ATOM 426 CA GLU A 333 10.153 27.704 -0.910 1.00 0.00 C ATOM 427 C GLU A 333 9.743 28.810 0.093 1.00 0.00 C ATOM 428 O GLU A 333 10.505 29.743 0.350 1.00 0.00 O ATOM 429 CB GLU A 333 9.674 28.080 -2.338 1.00 0.00 C ATOM 430 CG GLU A 333 8.129 28.111 -2.502 1.00 0.00 C ATOM 431 CD GLU A 333 7.614 28.647 -3.845 1.00 0.00 C ATOM 432 OE1 GLU A 333 8.395 29.256 -4.607 1.00 0.00 O ATOM 433 OE2 GLU A 333 6.398 28.510 -4.116 1.00 0.00 O ATOM 0 H GLU A 333 8.987 25.997 -1.263 1.00 0.00 H new ATOM 0 HA GLU A 333 11.240 27.629 -0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 333 10.076 29.059 -2.598 1.00 0.00 H new ATOM 0 HB3 GLU A 333 10.090 27.366 -3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 333 7.747 27.099 -2.365 1.00 0.00 H new ATOM 0 HG3 GLU A 333 7.709 28.722 -1.703 1.00 0.00 H new ATOM 440 N LYS A 334 8.523 28.681 0.649 1.00 0.00 N ATOM 441 CA LYS A 334 7.920 29.687 1.541 1.00 0.00 C ATOM 442 C LYS A 334 8.037 29.283 3.019 1.00 0.00 C ATOM 443 O LYS A 334 7.520 29.991 3.887 1.00 0.00 O ATOM 444 CB LYS A 334 6.433 29.911 1.122 1.00 0.00 C ATOM 445 CG LYS A 334 6.277 30.632 -0.242 1.00 0.00 C ATOM 446 CD LYS A 334 4.834 30.627 -0.786 1.00 0.00 C ATOM 447 CE LYS A 334 4.667 31.494 -2.047 1.00 0.00 C ATOM 448 NZ LYS A 334 5.554 31.075 -3.162 1.00 0.00 N ATOM 0 H LYS A 334 7.925 27.870 0.490 1.00 0.00 H new ATOM 0 HA LYS A 334 8.466 30.625 1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 334 5.928 28.946 1.074 1.00 0.00 H new ATOM 0 HB3 LYS A 334 5.931 30.496 1.893 1.00 0.00 H new ATOM 0 HG2 LYS A 334 6.613 31.664 -0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 334 6.932 30.156 -0.971 1.00 0.00 H new ATOM 0 HD2 LYS A 334 4.540 29.602 -1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 334 4.158 30.987 -0.011 1.00 0.00 H new ATOM 0 HE2 LYS A 334 3.630 31.447 -2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 334 4.875 32.534 -1.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 5.260 31.553 -4.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 6.537 31.333 -2.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 5.488 30.045 -3.290 1.00 0.00 H new ATOM 462 N GLN A 335 8.729 28.157 3.306 1.00 0.00 N ATOM 463 CA GLN A 335 8.944 27.692 4.691 1.00 0.00 C ATOM 464 C GLN A 335 9.960 28.587 5.424 1.00 0.00 C ATOM 465 O GLN A 335 11.010 28.931 4.874 1.00 0.00 O ATOM 466 CB GLN A 335 9.393 26.199 4.751 1.00 0.00 C ATOM 467 CG GLN A 335 8.289 25.186 4.392 1.00 0.00 C ATOM 468 CD GLN A 335 8.695 23.726 4.620 1.00 0.00 C ATOM 469 OE1 GLN A 335 9.222 23.065 3.736 1.00 0.00 O ATOM 470 NE2 GLN A 335 8.452 23.217 5.820 1.00 0.00 N ATOM 0 H GLN A 335 9.147 27.556 2.596 1.00 0.00 H new ATOM 0 HA GLN A 335 7.982 27.765 5.199 1.00 0.00 H new ATOM 0 HB2 GLN A 335 10.233 26.058 4.071 1.00 0.00 H new ATOM 0 HB3 GLN A 335 9.756 25.982 5.756 1.00 0.00 H new ATOM 0 HG2 GLN A 335 7.401 25.404 4.986 1.00 0.00 H new ATOM 0 HG3 GLN A 335 8.013 25.318 3.346 1.00 0.00 H new ATOM 0 HE21 GLN A 335 8.011 23.792 6.538 1.00 0.00 H new ATOM 0 HE22 GLN A 335 8.706 22.251 6.025 1.00 0.00 H new ATOM 479 N LEU A 336 9.606 28.975 6.660 1.00 0.00 N ATOM 480 CA LEU A 336 10.495 29.694 7.589 1.00 0.00 C ATOM 481 C LEU A 336 10.511 28.944 8.919 1.00 0.00 C ATOM 482 O LEU A 336 9.497 28.881 9.618 1.00 0.00 O ATOM 483 CB LEU A 336 10.026 31.162 7.796 1.00 0.00 C ATOM 484 CG LEU A 336 10.245 32.123 6.590 1.00 0.00 C ATOM 485 CD1 LEU A 336 9.660 33.526 6.872 1.00 0.00 C ATOM 486 CD2 LEU A 336 11.744 32.211 6.214 1.00 0.00 C ATOM 0 H LEU A 336 8.680 28.796 7.048 1.00 0.00 H new ATOM 0 HA LEU A 336 11.500 29.733 7.169 1.00 0.00 H new ATOM 0 HB2 LEU A 336 8.964 31.153 8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 336 10.548 31.571 8.661 1.00 0.00 H new ATOM 0 HG LEU A 336 9.708 31.708 5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 336 9.830 34.171 6.010 1.00 0.00 H new ATOM 0 HD12 LEU A 336 8.589 33.443 7.057 1.00 0.00 H new ATOM 0 HD13 LEU A 336 10.148 33.954 7.748 1.00 0.00 H new ATOM 0 HD21 LEU A 336 11.868 32.888 5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 336 12.311 32.586 7.066 1.00 0.00 H new ATOM 0 HD23 LEU A 336 12.110 31.221 5.942 1.00 0.00 H new ATOM 498 N LEU A 337 11.664 28.364 9.251 1.00 0.00 N ATOM 499 CA LEU A 337 11.834 27.565 10.473 1.00 0.00 C ATOM 500 C LEU A 337 12.247 28.482 11.636 1.00 0.00 C ATOM 501 O LEU A 337 13.039 29.411 11.458 1.00 0.00 O ATOM 502 CB LEU A 337 12.871 26.414 10.270 1.00 0.00 C ATOM 503 CG LEU A 337 12.405 25.203 9.390 1.00 0.00 C ATOM 504 CD1 LEU A 337 12.196 25.591 7.905 1.00 0.00 C ATOM 505 CD2 LEU A 337 13.380 24.007 9.534 1.00 0.00 C ATOM 0 H LEU A 337 12.509 28.432 8.683 1.00 0.00 H new ATOM 0 HA LEU A 337 10.881 27.094 10.712 1.00 0.00 H new ATOM 0 HB2 LEU A 337 13.768 26.838 9.820 1.00 0.00 H new ATOM 0 HB3 LEU A 337 13.156 26.034 11.251 1.00 0.00 H new ATOM 0 HG LEU A 337 11.430 24.893 9.765 1.00 0.00 H new ATOM 0 HD11 LEU A 337 11.874 24.715 7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 337 11.434 26.367 7.836 1.00 0.00 H new ATOM 0 HD13 LEU A 337 13.133 25.964 7.491 1.00 0.00 H new ATOM 0 HD21 LEU A 337 13.035 23.180 8.914 1.00 0.00 H new ATOM 0 HD22 LEU A 337 14.377 24.310 9.213 1.00 0.00 H new ATOM 0 HD23 LEU A 337 13.415 23.689 10.576 1.00 0.00 H new ATOM 517 N CYS A 338 11.674 28.217 12.820 1.00 0.00 N ATOM 518 CA CYS A 338 11.877 29.033 14.028 1.00 0.00 C ATOM 519 C CYS A 338 12.856 28.284 14.948 1.00 0.00 C ATOM 520 O CYS A 338 12.520 27.196 15.428 1.00 0.00 O ATOM 521 CB CYS A 338 10.514 29.282 14.722 1.00 0.00 C ATOM 522 SG CYS A 338 10.432 30.817 15.683 1.00 0.00 S ATOM 0 H CYS A 338 11.051 27.423 12.968 1.00 0.00 H new ATOM 0 HA CYS A 338 12.298 30.007 13.779 1.00 0.00 H new ATOM 0 HB2 CYS A 338 9.732 29.301 13.963 1.00 0.00 H new ATOM 0 HB3 CYS A 338 10.298 28.442 15.382 1.00 0.00 H new ATOM 0 HG CYS A 338 10.370 30.533 16.950 1.00 0.00 H new ATOM 527 N ASP A 339 14.048 28.876 15.179 1.00 0.00 N ATOM 528 CA ASP A 339 15.208 28.211 15.844 1.00 0.00 C ATOM 529 C ASP A 339 14.841 27.568 17.201 1.00 0.00 C ATOM 530 O ASP A 339 15.212 26.431 17.505 1.00 0.00 O ATOM 531 CB ASP A 339 16.348 29.251 16.063 1.00 0.00 C ATOM 532 CG ASP A 339 16.871 29.846 14.746 1.00 0.00 C ATOM 533 OD1 ASP A 339 16.411 30.936 14.347 1.00 0.00 O ATOM 534 OD2 ASP A 339 17.716 29.199 14.081 1.00 0.00 O ATOM 0 H ASP A 339 14.242 29.840 14.909 1.00 0.00 H new ATOM 0 HA ASP A 339 15.534 27.408 15.183 1.00 0.00 H new ATOM 0 HB2 ASP A 339 15.982 30.056 16.700 1.00 0.00 H new ATOM 0 HB3 ASP A 339 17.172 28.774 16.594 1.00 0.00 H new ATOM 539 N GLU A 340 14.100 28.330 17.987 1.00 0.00 N ATOM 540 CA GLU A 340 13.752 28.012 19.384 1.00 0.00 C ATOM 541 C GLU A 340 12.434 27.188 19.498 1.00 0.00 C ATOM 542 O GLU A 340 12.226 26.471 20.480 1.00 0.00 O ATOM 543 CB GLU A 340 13.695 29.355 20.188 1.00 0.00 C ATOM 544 CG GLU A 340 12.451 30.258 19.997 1.00 0.00 C ATOM 545 CD GLU A 340 12.013 30.444 18.531 1.00 0.00 C ATOM 546 OE1 GLU A 340 12.787 30.946 17.710 1.00 0.00 O ATOM 547 OE2 GLU A 340 10.899 30.049 18.198 1.00 0.00 O ATOM 0 H GLU A 340 13.706 29.217 17.672 1.00 0.00 H new ATOM 0 HA GLU A 340 14.518 27.366 19.812 1.00 0.00 H new ATOM 0 HB2 GLU A 340 13.775 29.115 21.248 1.00 0.00 H new ATOM 0 HB3 GLU A 340 14.577 29.940 19.926 1.00 0.00 H new ATOM 0 HG2 GLU A 340 11.620 29.833 20.560 1.00 0.00 H new ATOM 0 HG3 GLU A 340 12.660 31.237 20.427 1.00 0.00 H new ATOM 554 N CYS A 341 11.548 27.325 18.482 1.00 0.00 N ATOM 555 CA CYS A 341 10.285 26.536 18.363 1.00 0.00 C ATOM 556 C CYS A 341 10.552 25.173 17.701 1.00 0.00 C ATOM 557 O CYS A 341 9.718 24.263 17.806 1.00 0.00 O ATOM 558 CB CYS A 341 9.195 27.299 17.545 1.00 0.00 C ATOM 559 SG CYS A 341 8.459 28.742 18.379 1.00 0.00 S ATOM 0 H CYS A 341 11.684 27.986 17.717 1.00 0.00 H new ATOM 0 HA CYS A 341 9.913 26.384 19.376 1.00 0.00 H new ATOM 0 HB2 CYS A 341 9.636 27.630 16.605 1.00 0.00 H new ATOM 0 HB3 CYS A 341 8.397 26.600 17.294 1.00 0.00 H new ATOM 0 HG CYS A 341 9.339 29.696 18.453 1.00 0.00 H new ATOM 564 N ASP A 342 11.706 25.058 17.001 1.00 0.00 N ATOM 565 CA ASP A 342 12.108 23.850 16.237 1.00 0.00 C ATOM 566 C ASP A 342 11.074 23.499 15.152 1.00 0.00 C ATOM 567 O ASP A 342 10.926 22.336 14.762 1.00 0.00 O ATOM 568 CB ASP A 342 12.322 22.638 17.194 1.00 0.00 C ATOM 569 CG ASP A 342 13.550 22.797 18.106 1.00 0.00 C ATOM 570 OD1 ASP A 342 13.392 23.281 19.250 1.00 0.00 O ATOM 571 OD2 ASP A 342 14.678 22.444 17.686 1.00 0.00 O ATOM 0 H ASP A 342 12.393 25.810 16.950 1.00 0.00 H new ATOM 0 HA ASP A 342 13.052 24.075 15.740 1.00 0.00 H new ATOM 0 HB2 ASP A 342 11.433 22.509 17.811 1.00 0.00 H new ATOM 0 HB3 ASP A 342 12.433 21.730 16.601 1.00 0.00 H new ATOM 576 N MET A 343 10.413 24.530 14.615 1.00 0.00 N ATOM 577 CA MET A 343 9.135 24.356 13.912 1.00 0.00 C ATOM 578 C MET A 343 9.096 25.165 12.621 1.00 0.00 C ATOM 579 O MET A 343 9.437 26.353 12.616 1.00 0.00 O ATOM 580 CB MET A 343 8.001 24.796 14.864 1.00 0.00 C ATOM 581 CG MET A 343 6.586 24.450 14.414 1.00 0.00 C ATOM 582 SD MET A 343 5.389 24.709 15.744 1.00 0.00 S ATOM 583 CE MET A 343 6.032 23.604 17.019 1.00 0.00 C ATOM 0 H MET A 343 10.741 25.495 14.653 1.00 0.00 H new ATOM 0 HA MET A 343 9.011 23.309 13.634 1.00 0.00 H new ATOM 0 HB2 MET A 343 8.174 24.341 15.839 1.00 0.00 H new ATOM 0 HB3 MET A 343 8.065 25.876 15.000 1.00 0.00 H new ATOM 0 HG2 MET A 343 6.316 25.064 13.555 1.00 0.00 H new ATOM 0 HG3 MET A 343 6.550 23.411 14.088 1.00 0.00 H new ATOM 0 HE1 MET A 343 5.213 23.266 17.654 1.00 0.00 H new ATOM 0 HE2 MET A 343 6.506 22.742 16.549 1.00 0.00 H new ATOM 0 HE3 MET A 343 6.766 24.136 17.625 1.00 0.00 H new ATOM 593 N ALA A 344 8.664 24.504 11.540 1.00 0.00 N ATOM 594 CA ALA A 344 8.479 25.127 10.228 1.00 0.00 C ATOM 595 C ALA A 344 7.202 25.981 10.218 1.00 0.00 C ATOM 596 O ALA A 344 6.204 25.633 10.855 1.00 0.00 O ATOM 597 CB ALA A 344 8.419 24.051 9.129 1.00 0.00 C ATOM 0 H ALA A 344 8.431 23.511 11.554 1.00 0.00 H new ATOM 0 HA ALA A 344 9.330 25.778 10.027 1.00 0.00 H new ATOM 0 HB1 ALA A 344 8.281 24.529 8.159 1.00 0.00 H new ATOM 0 HB2 ALA A 344 9.349 23.483 9.125 1.00 0.00 H new ATOM 0 HB3 ALA A 344 7.584 23.378 9.324 1.00 0.00 H new ATOM 603 N PHE A 345 7.269 27.120 9.531 1.00 0.00 N ATOM 604 CA PHE A 345 6.114 28.000 9.264 1.00 0.00 C ATOM 605 C PHE A 345 6.059 28.267 7.753 1.00 0.00 C ATOM 606 O PHE A 345 6.785 27.634 6.990 1.00 0.00 O ATOM 607 CB PHE A 345 6.223 29.333 10.068 1.00 0.00 C ATOM 608 CG PHE A 345 6.099 29.175 11.586 1.00 0.00 C ATOM 609 CD1 PHE A 345 4.908 29.479 12.239 1.00 0.00 C ATOM 610 CD2 PHE A 345 7.169 28.719 12.355 1.00 0.00 C ATOM 611 CE1 PHE A 345 4.790 29.330 13.608 1.00 0.00 C ATOM 612 CE2 PHE A 345 7.049 28.569 13.720 1.00 0.00 C ATOM 613 CZ PHE A 345 5.861 28.875 14.346 1.00 0.00 C ATOM 0 H PHE A 345 8.140 27.471 9.133 1.00 0.00 H new ATOM 0 HA PHE A 345 5.194 27.513 9.589 1.00 0.00 H new ATOM 0 HB2 PHE A 345 7.181 29.801 9.842 1.00 0.00 H new ATOM 0 HB3 PHE A 345 5.446 30.015 9.722 1.00 0.00 H new ATOM 0 HD1 PHE A 345 4.064 29.836 11.668 1.00 0.00 H new ATOM 0 HD2 PHE A 345 8.106 28.480 11.874 1.00 0.00 H new ATOM 0 HE1 PHE A 345 3.859 29.570 14.099 1.00 0.00 H new ATOM 0 HE2 PHE A 345 7.887 28.211 14.299 1.00 0.00 H new ATOM 0 HZ PHE A 345 5.769 28.758 15.416 1.00 0.00 H new ATOM 623 N HIS A 346 5.164 29.163 7.324 1.00 0.00 N ATOM 624 CA HIS A 346 5.108 29.645 5.926 1.00 0.00 C ATOM 625 C HIS A 346 4.911 31.155 5.927 1.00 0.00 C ATOM 626 O HIS A 346 4.339 31.685 6.876 1.00 0.00 O ATOM 627 CB HIS A 346 3.969 28.962 5.116 1.00 0.00 C ATOM 628 CG HIS A 346 4.201 27.515 4.779 1.00 0.00 C ATOM 629 ND1 HIS A 346 3.264 26.543 5.061 1.00 0.00 N ATOM 630 CD2 HIS A 346 5.258 26.949 4.162 1.00 0.00 C ATOM 631 CE1 HIS A 346 3.785 25.420 4.599 1.00 0.00 C ATOM 632 NE2 HIS A 346 4.992 25.620 4.053 1.00 0.00 N ATOM 0 H HIS A 346 4.456 29.578 7.929 1.00 0.00 H new ATOM 0 HA HIS A 346 6.049 29.386 5.441 1.00 0.00 H new ATOM 0 HB2 HIS A 346 3.042 29.042 5.685 1.00 0.00 H new ATOM 0 HB3 HIS A 346 3.822 29.515 4.188 1.00 0.00 H new ATOM 0 HD2 HIS A 346 6.148 27.456 3.819 1.00 0.00 H new ATOM 0 HE1 HIS A 346 3.297 24.458 4.655 1.00 0.00 H new ATOM 0 HE2 HIS A 346 5.595 24.911 3.636 1.00 0.00 H new ATOM 640 N LEU A 347 5.379 31.821 4.852 1.00 0.00 N ATOM 641 CA LEU A 347 5.179 33.272 4.614 1.00 0.00 C ATOM 642 C LEU A 347 3.688 33.660 4.741 1.00 0.00 C ATOM 643 O LEU A 347 3.324 34.599 5.459 1.00 0.00 O ATOM 644 CB LEU A 347 5.703 33.639 3.192 1.00 0.00 C ATOM 645 CG LEU A 347 7.247 33.575 2.965 1.00 0.00 C ATOM 646 CD1 LEU A 347 7.614 33.860 1.484 1.00 0.00 C ATOM 647 CD2 LEU A 347 7.978 34.551 3.908 1.00 0.00 C ATOM 0 H LEU A 347 5.914 31.364 4.113 1.00 0.00 H new ATOM 0 HA LEU A 347 5.736 33.826 5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 347 5.227 32.972 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 347 5.368 34.650 2.958 1.00 0.00 H new ATOM 0 HG LEU A 347 7.575 32.562 3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 347 8.696 33.808 1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 347 7.139 33.118 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 347 7.265 34.855 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 347 9.052 34.490 3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 347 7.636 35.568 3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 347 7.763 34.286 4.943 1.00 0.00 H new ATOM 659 N TYR A 348 2.840 32.871 4.064 1.00 0.00 N ATOM 660 CA TYR A 348 1.376 33.057 4.037 1.00 0.00 C ATOM 661 C TYR A 348 0.685 32.481 5.305 1.00 0.00 C ATOM 662 O TYR A 348 -0.539 32.498 5.399 1.00 0.00 O ATOM 663 CB TYR A 348 0.793 32.412 2.741 1.00 0.00 C ATOM 664 CG TYR A 348 1.135 30.911 2.545 1.00 0.00 C ATOM 665 CD1 TYR A 348 2.324 30.512 1.921 1.00 0.00 C ATOM 666 CD2 TYR A 348 0.271 29.903 2.980 1.00 0.00 C ATOM 667 CE1 TYR A 348 2.628 29.173 1.744 1.00 0.00 C ATOM 668 CE2 TYR A 348 0.577 28.563 2.804 1.00 0.00 C ATOM 669 CZ TYR A 348 1.755 28.205 2.186 1.00 0.00 C ATOM 670 OH TYR A 348 2.068 26.874 2.014 1.00 0.00 O ATOM 0 H TYR A 348 3.154 32.073 3.511 1.00 0.00 H new ATOM 0 HA TYR A 348 1.171 34.128 4.033 1.00 0.00 H new ATOM 0 HB2 TYR A 348 -0.291 32.524 2.754 1.00 0.00 H new ATOM 0 HB3 TYR A 348 1.161 32.969 1.879 1.00 0.00 H new ATOM 0 HD1 TYR A 348 3.017 31.263 1.571 1.00 0.00 H new ATOM 0 HD2 TYR A 348 -0.656 30.174 3.464 1.00 0.00 H new ATOM 0 HE1 TYR A 348 3.550 28.888 1.259 1.00 0.00 H new ATOM 0 HE2 TYR A 348 -0.106 27.801 3.150 1.00 0.00 H new ATOM 0 HH TYR A 348 1.349 26.319 2.381 1.00 0.00 H new ATOM 680 N CYS A 349 1.475 31.962 6.265 1.00 0.00 N ATOM 681 CA CYS A 349 0.956 31.424 7.554 1.00 0.00 C ATOM 682 C CYS A 349 1.401 32.295 8.746 1.00 0.00 C ATOM 683 O CYS A 349 1.179 31.929 9.906 1.00 0.00 O ATOM 684 CB CYS A 349 1.438 29.971 7.754 1.00 0.00 C ATOM 685 SG CYS A 349 0.858 28.813 6.480 1.00 0.00 S ATOM 0 H CYS A 349 2.489 31.900 6.177 1.00 0.00 H new ATOM 0 HA CYS A 349 -0.133 31.441 7.511 1.00 0.00 H new ATOM 0 HB2 CYS A 349 2.528 29.960 7.770 1.00 0.00 H new ATOM 0 HB3 CYS A 349 1.102 29.619 8.729 1.00 0.00 H new ATOM 0 HG CYS A 349 0.771 29.431 5.339 1.00 0.00 H new ATOM 690 N LEU A 350 2.055 33.433 8.451 1.00 0.00 N ATOM 691 CA LEU A 350 2.532 34.382 9.479 1.00 0.00 C ATOM 692 C LEU A 350 1.445 35.417 9.805 1.00 0.00 C ATOM 693 O LEU A 350 0.433 35.498 9.107 1.00 0.00 O ATOM 694 CB LEU A 350 3.842 35.081 9.007 1.00 0.00 C ATOM 695 CG LEU A 350 5.025 34.129 8.668 1.00 0.00 C ATOM 696 CD1 LEU A 350 6.281 34.919 8.257 1.00 0.00 C ATOM 697 CD2 LEU A 350 5.307 33.151 9.834 1.00 0.00 C ATOM 0 H LEU A 350 2.268 33.722 7.496 1.00 0.00 H new ATOM 0 HA LEU A 350 2.752 33.825 10.390 1.00 0.00 H new ATOM 0 HB2 LEU A 350 3.616 35.680 8.125 1.00 0.00 H new ATOM 0 HB3 LEU A 350 4.166 35.771 9.786 1.00 0.00 H new ATOM 0 HG LEU A 350 4.735 33.526 7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 350 7.089 34.224 8.027 1.00 0.00 H new ATOM 0 HD12 LEU A 350 6.059 35.522 7.377 1.00 0.00 H new ATOM 0 HD13 LEU A 350 6.585 35.571 9.076 1.00 0.00 H new ATOM 0 HD21 LEU A 350 6.139 32.498 9.568 1.00 0.00 H new ATOM 0 HD22 LEU A 350 5.562 33.717 10.730 1.00 0.00 H new ATOM 0 HD23 LEU A 350 4.419 32.548 10.026 1.00 0.00 H new ATOM 709 N LYS A 351 1.664 36.204 10.872 1.00 0.00 N ATOM 710 CA LYS A 351 0.737 37.274 11.275 1.00 0.00 C ATOM 711 C LYS A 351 1.546 38.414 11.944 1.00 0.00 C ATOM 712 O LYS A 351 1.903 38.296 13.119 1.00 0.00 O ATOM 713 CB LYS A 351 -0.382 36.712 12.202 1.00 0.00 C ATOM 714 CG LYS A 351 -1.520 37.712 12.511 1.00 0.00 C ATOM 715 CD LYS A 351 -2.226 38.253 11.236 1.00 0.00 C ATOM 716 CE LYS A 351 -3.377 39.228 11.555 1.00 0.00 C ATOM 717 NZ LYS A 351 -2.910 40.437 12.291 1.00 0.00 N ATOM 0 H LYS A 351 2.482 36.117 11.475 1.00 0.00 H new ATOM 0 HA LYS A 351 0.233 37.683 10.400 1.00 0.00 H new ATOM 0 HB2 LYS A 351 -0.811 35.825 11.736 1.00 0.00 H new ATOM 0 HB3 LYS A 351 0.069 36.392 13.141 1.00 0.00 H new ATOM 0 HG2 LYS A 351 -2.259 37.226 13.148 1.00 0.00 H new ATOM 0 HG3 LYS A 351 -1.114 38.551 13.077 1.00 0.00 H new ATOM 0 HD2 LYS A 351 -1.493 38.758 10.607 1.00 0.00 H new ATOM 0 HD3 LYS A 351 -2.616 37.414 10.659 1.00 0.00 H new ATOM 0 HE2 LYS A 351 -3.858 39.535 10.626 1.00 0.00 H new ATOM 0 HE3 LYS A 351 -4.132 38.713 12.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 -3.703 41.100 12.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 -2.552 40.157 13.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 -2.149 40.899 11.753 1.00 0.00 H new ATOM 731 N PRO A 352 1.876 39.547 11.215 1.00 0.00 N ATOM 732 CA PRO A 352 1.418 39.847 9.824 1.00 0.00 C ATOM 733 C PRO A 352 2.105 38.948 8.755 1.00 0.00 C ATOM 734 O PRO A 352 3.318 38.705 8.848 1.00 0.00 O ATOM 735 CB PRO A 352 1.784 41.355 9.636 1.00 0.00 C ATOM 736 CG PRO A 352 2.219 41.840 10.993 1.00 0.00 C ATOM 737 CD PRO A 352 2.755 40.627 11.709 1.00 0.00 C ATOM 0 HA PRO A 352 0.355 39.645 9.690 1.00 0.00 H new ATOM 0 HB2 PRO A 352 2.581 41.476 8.903 1.00 0.00 H new ATOM 0 HB3 PRO A 352 0.928 41.924 9.273 1.00 0.00 H new ATOM 0 HG2 PRO A 352 2.983 42.612 10.906 1.00 0.00 H new ATOM 0 HG3 PRO A 352 1.383 42.279 11.538 1.00 0.00 H new ATOM 0 HD2 PRO A 352 3.801 40.442 11.465 1.00 0.00 H new ATOM 0 HD3 PRO A 352 2.694 40.736 12.792 1.00 0.00 H new ATOM 745 N PRO A 353 1.326 38.412 7.747 1.00 0.00 N ATOM 746 CA PRO A 353 1.871 37.510 6.711 1.00 0.00 C ATOM 747 C PRO A 353 2.872 38.236 5.796 1.00 0.00 C ATOM 748 O PRO A 353 2.518 39.200 5.105 1.00 0.00 O ATOM 749 CB PRO A 353 0.613 37.022 5.940 1.00 0.00 C ATOM 750 CG PRO A 353 -0.409 38.096 6.165 1.00 0.00 C ATOM 751 CD PRO A 353 -0.129 38.648 7.550 1.00 0.00 C ATOM 0 HA PRO A 353 2.440 36.681 7.132 1.00 0.00 H new ATOM 0 HB2 PRO A 353 0.824 36.892 4.879 1.00 0.00 H new ATOM 0 HB3 PRO A 353 0.266 36.060 6.316 1.00 0.00 H new ATOM 0 HG2 PRO A 353 -0.329 38.877 5.409 1.00 0.00 H new ATOM 0 HG3 PRO A 353 -1.420 37.694 6.101 1.00 0.00 H new ATOM 0 HD2 PRO A 353 -0.373 39.708 7.613 1.00 0.00 H new ATOM 0 HD3 PRO A 353 -0.722 38.139 8.310 1.00 0.00 H new ATOM 759 N LEU A 354 4.131 37.782 5.838 1.00 0.00 N ATOM 760 CA LEU A 354 5.213 38.366 5.043 1.00 0.00 C ATOM 761 C LEU A 354 5.108 37.885 3.591 1.00 0.00 C ATOM 762 O LEU A 354 4.903 36.699 3.342 1.00 0.00 O ATOM 763 CB LEU A 354 6.593 38.011 5.652 1.00 0.00 C ATOM 764 CG LEU A 354 6.843 38.554 7.092 1.00 0.00 C ATOM 765 CD1 LEU A 354 8.207 38.081 7.642 1.00 0.00 C ATOM 766 CD2 LEU A 354 6.706 40.096 7.153 1.00 0.00 C ATOM 0 H LEU A 354 4.426 37.001 6.424 1.00 0.00 H new ATOM 0 HA LEU A 354 5.117 39.452 5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 354 6.697 36.926 5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 354 7.372 38.397 4.995 1.00 0.00 H new ATOM 0 HG LEU A 354 6.069 38.138 7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 354 8.351 38.477 8.647 1.00 0.00 H new ATOM 0 HD12 LEU A 354 8.228 36.992 7.674 1.00 0.00 H new ATOM 0 HD13 LEU A 354 9.005 38.441 6.993 1.00 0.00 H new ATOM 0 HD21 LEU A 354 6.887 40.437 8.172 1.00 0.00 H new ATOM 0 HD22 LEU A 354 7.434 40.553 6.483 1.00 0.00 H new ATOM 0 HD23 LEU A 354 5.700 40.384 6.847 1.00 0.00 H new ATOM 778 N THR A 355 5.220 38.827 2.646 1.00 0.00 N ATOM 779 CA THR A 355 5.194 38.527 1.200 1.00 0.00 C ATOM 780 C THR A 355 6.564 37.974 0.737 1.00 0.00 C ATOM 781 O THR A 355 6.667 37.313 -0.305 1.00 0.00 O ATOM 782 CB THR A 355 4.791 39.803 0.373 1.00 0.00 C ATOM 783 OG1 THR A 355 4.593 39.465 -1.007 1.00 0.00 O ATOM 784 CG2 THR A 355 5.833 40.929 0.471 1.00 0.00 C ATOM 0 H THR A 355 5.331 39.819 2.857 1.00 0.00 H new ATOM 0 HA THR A 355 4.440 37.761 1.020 1.00 0.00 H new ATOM 0 HB THR A 355 3.861 40.170 0.808 1.00 0.00 H new ATOM 0 HG1 THR A 355 4.341 40.269 -1.508 1.00 0.00 H new ATOM 0 HG21 THR A 355 5.502 41.784 -0.119 1.00 0.00 H new ATOM 0 HG22 THR A 355 5.947 41.230 1.513 1.00 0.00 H new ATOM 0 HG23 THR A 355 6.790 40.573 0.089 1.00 0.00 H new ATOM 792 N SER A 356 7.602 38.240 1.550 1.00 0.00 N ATOM 793 CA SER A 356 8.987 37.839 1.275 1.00 0.00 C ATOM 794 C SER A 356 9.707 37.478 2.586 1.00 0.00 C ATOM 795 O SER A 356 9.296 37.907 3.676 1.00 0.00 O ATOM 796 CB SER A 356 9.728 38.986 0.545 1.00 0.00 C ATOM 797 OG SER A 356 11.077 38.645 0.277 1.00 0.00 O ATOM 0 H SER A 356 7.497 38.747 2.429 1.00 0.00 H new ATOM 0 HA SER A 356 8.984 36.958 0.633 1.00 0.00 H new ATOM 0 HB2 SER A 356 9.217 39.214 -0.390 1.00 0.00 H new ATOM 0 HB3 SER A 356 9.694 39.889 1.155 1.00 0.00 H new ATOM 0 HG SER A 356 11.517 39.389 -0.186 1.00 0.00 H new ATOM 803 N VAL A 357 10.782 36.679 2.453 1.00 0.00 N ATOM 804 CA VAL A 357 11.671 36.307 3.563 1.00 0.00 C ATOM 805 C VAL A 357 12.329 37.583 4.177 1.00 0.00 C ATOM 806 O VAL A 357 12.734 38.479 3.425 1.00 0.00 O ATOM 807 CB VAL A 357 12.771 35.279 3.057 1.00 0.00 C ATOM 808 CG1 VAL A 357 13.624 35.864 1.899 1.00 0.00 C ATOM 809 CG2 VAL A 357 13.666 34.782 4.218 1.00 0.00 C ATOM 0 H VAL A 357 11.059 36.270 1.560 1.00 0.00 H new ATOM 0 HA VAL A 357 11.086 35.821 4.344 1.00 0.00 H new ATOM 0 HB VAL A 357 12.237 34.416 2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 357 14.363 35.128 1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 357 12.976 36.110 1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 357 14.132 36.765 2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 357 14.406 34.081 3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 357 14.174 35.631 4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 357 13.049 34.284 4.966 1.00 0.00 H new ATOM 819 N PRO A 358 12.382 37.721 5.545 1.00 0.00 N ATOM 820 CA PRO A 358 13.078 38.853 6.214 1.00 0.00 C ATOM 821 C PRO A 358 14.620 38.765 6.045 1.00 0.00 C ATOM 822 O PRO A 358 15.151 37.679 5.767 1.00 0.00 O ATOM 823 CB PRO A 358 12.652 38.701 7.705 1.00 0.00 C ATOM 824 CG PRO A 358 12.363 37.246 7.853 1.00 0.00 C ATOM 825 CD PRO A 358 11.744 36.816 6.542 1.00 0.00 C ATOM 0 HA PRO A 358 12.812 39.822 5.792 1.00 0.00 H new ATOM 0 HB2 PRO A 358 13.445 39.021 8.381 1.00 0.00 H new ATOM 0 HB3 PRO A 358 11.775 39.307 7.933 1.00 0.00 H new ATOM 0 HG2 PRO A 358 13.275 36.685 8.058 1.00 0.00 H new ATOM 0 HG3 PRO A 358 11.683 37.065 8.685 1.00 0.00 H new ATOM 0 HD2 PRO A 358 11.952 35.768 6.324 1.00 0.00 H new ATOM 0 HD3 PRO A 358 10.660 36.931 6.553 1.00 0.00 H new ATOM 833 N PRO A 359 15.371 39.904 6.231 1.00 0.00 N ATOM 834 CA PRO A 359 16.854 39.913 6.123 1.00 0.00 C ATOM 835 C PRO A 359 17.548 39.364 7.394 1.00 0.00 C ATOM 836 O PRO A 359 18.775 39.425 7.514 1.00 0.00 O ATOM 837 CB PRO A 359 17.164 41.416 5.915 1.00 0.00 C ATOM 838 CG PRO A 359 16.103 42.115 6.707 1.00 0.00 C ATOM 839 CD PRO A 359 14.850 41.270 6.555 1.00 0.00 C ATOM 0 HA PRO A 359 17.222 39.270 5.323 1.00 0.00 H new ATOM 0 HB2 PRO A 359 18.162 41.671 6.271 1.00 0.00 H new ATOM 0 HB3 PRO A 359 17.122 41.691 4.861 1.00 0.00 H new ATOM 0 HG2 PRO A 359 16.391 42.203 7.755 1.00 0.00 H new ATOM 0 HG3 PRO A 359 15.940 43.127 6.335 1.00 0.00 H new ATOM 0 HD2 PRO A 359 14.259 41.265 7.471 1.00 0.00 H new ATOM 0 HD3 PRO A 359 14.206 41.650 5.762 1.00 0.00 H new ATOM 847 N GLU A 360 16.751 38.829 8.332 1.00 0.00 N ATOM 848 CA GLU A 360 17.233 38.301 9.610 1.00 0.00 C ATOM 849 C GLU A 360 17.640 36.817 9.442 1.00 0.00 C ATOM 850 O GLU A 360 16.815 36.005 8.994 1.00 0.00 O ATOM 851 CB GLU A 360 16.113 38.455 10.666 1.00 0.00 C ATOM 852 CG GLU A 360 15.580 39.898 10.777 1.00 0.00 C ATOM 853 CD GLU A 360 14.375 40.035 11.718 1.00 0.00 C ATOM 854 OE1 GLU A 360 13.244 39.683 11.308 1.00 0.00 O ATOM 855 OE2 GLU A 360 14.548 40.495 12.869 1.00 0.00 O ATOM 0 H GLU A 360 15.740 38.752 8.219 1.00 0.00 H new ATOM 0 HA GLU A 360 18.111 38.855 9.942 1.00 0.00 H new ATOM 0 HB2 GLU A 360 15.289 37.788 10.413 1.00 0.00 H new ATOM 0 HB3 GLU A 360 16.492 38.138 11.638 1.00 0.00 H new ATOM 0 HG2 GLU A 360 16.382 40.547 11.129 1.00 0.00 H new ATOM 0 HG3 GLU A 360 15.298 40.250 9.785 1.00 0.00 H new ATOM 862 N PRO A 361 18.921 36.450 9.769 1.00 0.00 N ATOM 863 CA PRO A 361 19.416 35.062 9.659 1.00 0.00 C ATOM 864 C PRO A 361 18.725 34.146 10.693 1.00 0.00 C ATOM 865 O PRO A 361 18.146 33.110 10.335 1.00 0.00 O ATOM 866 CB PRO A 361 20.943 35.196 9.906 1.00 0.00 C ATOM 867 CG PRO A 361 21.101 36.461 10.695 1.00 0.00 C ATOM 868 CD PRO A 361 19.970 37.374 10.269 1.00 0.00 C ATOM 0 HA PRO A 361 19.201 34.600 8.695 1.00 0.00 H new ATOM 0 HB2 PRO A 361 21.330 34.338 10.455 1.00 0.00 H new ATOM 0 HB3 PRO A 361 21.492 35.247 8.966 1.00 0.00 H new ATOM 0 HG2 PRO A 361 21.056 36.260 11.765 1.00 0.00 H new ATOM 0 HG3 PRO A 361 22.068 36.923 10.498 1.00 0.00 H new ATOM 0 HD2 PRO A 361 19.607 37.974 11.104 1.00 0.00 H new ATOM 0 HD3 PRO A 361 20.291 38.069 9.493 1.00 0.00 H new ATOM 876 N GLU A 362 18.770 34.576 11.971 1.00 0.00 N ATOM 877 CA GLU A 362 18.028 33.945 13.068 1.00 0.00 C ATOM 878 C GLU A 362 16.565 34.414 12.961 1.00 0.00 C ATOM 879 O GLU A 362 16.295 35.620 12.864 1.00 0.00 O ATOM 880 CB GLU A 362 18.673 34.323 14.439 1.00 0.00 C ATOM 881 CG GLU A 362 18.793 35.839 14.700 1.00 0.00 C ATOM 882 CD GLU A 362 19.626 36.189 15.940 1.00 0.00 C ATOM 883 OE1 GLU A 362 20.818 36.517 15.800 1.00 0.00 O ATOM 884 OE2 GLU A 362 19.094 36.125 17.067 1.00 0.00 O ATOM 0 H GLU A 362 19.328 35.377 12.267 1.00 0.00 H new ATOM 0 HA GLU A 362 18.063 32.858 13.000 1.00 0.00 H new ATOM 0 HB2 GLU A 362 18.082 33.876 15.238 1.00 0.00 H new ATOM 0 HB3 GLU A 362 19.667 33.879 14.492 1.00 0.00 H new ATOM 0 HG2 GLU A 362 19.240 36.314 13.827 1.00 0.00 H new ATOM 0 HG3 GLU A 362 17.794 36.259 14.815 1.00 0.00 H new ATOM 891 N TRP A 363 15.627 33.460 12.915 1.00 0.00 N ATOM 892 CA TRP A 363 14.214 33.752 12.665 1.00 0.00 C ATOM 893 C TRP A 363 13.359 33.303 13.860 1.00 0.00 C ATOM 894 O TRP A 363 13.382 32.131 14.266 1.00 0.00 O ATOM 895 CB TRP A 363 13.730 33.090 11.347 1.00 0.00 C ATOM 896 CG TRP A 363 12.368 33.566 10.908 1.00 0.00 C ATOM 897 CD1 TRP A 363 12.093 34.689 10.187 1.00 0.00 C ATOM 898 CD2 TRP A 363 11.107 32.953 11.190 1.00 0.00 C ATOM 899 NE1 TRP A 363 10.743 34.805 9.993 1.00 0.00 N ATOM 900 CE2 TRP A 363 10.118 33.752 10.602 1.00 0.00 C ATOM 901 CE3 TRP A 363 10.726 31.801 11.868 1.00 0.00 C ATOM 902 CZ2 TRP A 363 8.770 33.439 10.687 1.00 0.00 C ATOM 903 CZ3 TRP A 363 9.388 31.494 11.959 1.00 0.00 C ATOM 904 CH2 TRP A 363 8.423 32.306 11.366 1.00 0.00 C ATOM 0 H TRP A 363 15.827 32.469 13.050 1.00 0.00 H new ATOM 0 HA TRP A 363 14.101 34.830 12.548 1.00 0.00 H new ATOM 0 HB2 TRP A 363 14.452 33.298 10.557 1.00 0.00 H new ATOM 0 HB3 TRP A 363 13.704 32.008 11.479 1.00 0.00 H new ATOM 0 HD1 TRP A 363 12.833 35.386 9.822 1.00 0.00 H new ATOM 0 HE1 TRP A 363 10.279 35.554 9.479 1.00 0.00 H new ATOM 0 HE3 TRP A 363 11.468 31.157 12.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 363 8.020 34.069 10.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 363 9.081 30.610 12.498 1.00 0.00 H new ATOM 0 HH2 TRP A 363 7.381 32.034 11.445 1.00 0.00 H new ATOM 915 N TYR A 364 12.609 34.268 14.406 1.00 0.00 N ATOM 916 CA TYR A 364 11.663 34.062 15.500 1.00 0.00 C ATOM 917 C TYR A 364 10.267 34.452 14.984 1.00 0.00 C ATOM 918 O TYR A 364 10.113 35.483 14.320 1.00 0.00 O ATOM 919 CB TYR A 364 12.073 34.922 16.738 1.00 0.00 C ATOM 920 CG TYR A 364 13.532 34.692 17.206 1.00 0.00 C ATOM 921 CD1 TYR A 364 14.584 35.423 16.649 1.00 0.00 C ATOM 922 CD2 TYR A 364 13.856 33.737 18.175 1.00 0.00 C ATOM 923 CE1 TYR A 364 15.890 35.207 17.043 1.00 0.00 C ATOM 924 CE2 TYR A 364 15.164 33.520 18.568 1.00 0.00 C ATOM 925 CZ TYR A 364 16.173 34.259 17.998 1.00 0.00 C ATOM 926 OH TYR A 364 17.478 34.050 18.392 1.00 0.00 O ATOM 0 H TYR A 364 12.647 35.237 14.088 1.00 0.00 H new ATOM 0 HA TYR A 364 11.660 33.021 15.822 1.00 0.00 H new ATOM 0 HB2 TYR A 364 11.941 35.976 16.495 1.00 0.00 H new ATOM 0 HB3 TYR A 364 11.397 34.698 17.564 1.00 0.00 H new ATOM 0 HD1 TYR A 364 14.373 36.170 15.898 1.00 0.00 H new ATOM 0 HD2 TYR A 364 13.066 33.155 18.627 1.00 0.00 H new ATOM 0 HE1 TYR A 364 16.689 35.783 16.601 1.00 0.00 H new ATOM 0 HE2 TYR A 364 15.391 32.776 19.317 1.00 0.00 H new ATOM 0 HH TYR A 364 18.058 34.720 17.973 1.00 0.00 H new ATOM 936 N CYS A 365 9.266 33.604 15.259 1.00 0.00 N ATOM 937 CA CYS A 365 7.858 33.842 14.859 1.00 0.00 C ATOM 938 C CYS A 365 7.237 34.967 15.729 1.00 0.00 C ATOM 939 O CYS A 365 7.788 35.271 16.792 1.00 0.00 O ATOM 940 CB CYS A 365 7.047 32.528 14.999 1.00 0.00 C ATOM 941 SG CYS A 365 6.935 31.882 16.693 1.00 0.00 S ATOM 0 H CYS A 365 9.403 32.730 15.766 1.00 0.00 H new ATOM 0 HA CYS A 365 7.828 34.162 13.818 1.00 0.00 H new ATOM 0 HB2 CYS A 365 6.038 32.698 14.622 1.00 0.00 H new ATOM 0 HB3 CYS A 365 7.501 31.767 14.364 1.00 0.00 H new ATOM 0 HG CYS A 365 8.031 32.156 17.335 1.00 0.00 H new ATOM 946 N PRO A 366 6.091 35.614 15.307 1.00 0.00 N ATOM 947 CA PRO A 366 5.402 36.653 16.142 1.00 0.00 C ATOM 948 C PRO A 366 5.025 36.136 17.555 1.00 0.00 C ATOM 949 O PRO A 366 5.054 36.885 18.533 1.00 0.00 O ATOM 950 CB PRO A 366 4.143 37.021 15.298 1.00 0.00 C ATOM 951 CG PRO A 366 3.995 35.901 14.301 1.00 0.00 C ATOM 952 CD PRO A 366 5.403 35.454 13.990 1.00 0.00 C ATOM 0 HA PRO A 366 6.044 37.510 16.345 1.00 0.00 H new ATOM 0 HB2 PRO A 366 3.258 37.107 15.928 1.00 0.00 H new ATOM 0 HB3 PRO A 366 4.272 37.980 14.797 1.00 0.00 H new ATOM 0 HG2 PRO A 366 3.405 35.083 14.714 1.00 0.00 H new ATOM 0 HG3 PRO A 366 3.483 36.241 13.401 1.00 0.00 H new ATOM 0 HD2 PRO A 366 5.433 34.423 13.639 1.00 0.00 H new ATOM 0 HD3 PRO A 366 5.862 36.068 13.215 1.00 0.00 H new ATOM 960 N SER A 367 4.740 34.818 17.635 1.00 0.00 N ATOM 961 CA SER A 367 4.392 34.113 18.891 1.00 0.00 C ATOM 962 C SER A 367 5.564 34.133 19.912 1.00 0.00 C ATOM 963 O SER A 367 5.342 34.004 21.118 1.00 0.00 O ATOM 964 CB SER A 367 3.973 32.653 18.576 1.00 0.00 C ATOM 965 OG SER A 367 3.582 31.941 19.743 1.00 0.00 O ATOM 0 H SER A 367 4.745 34.205 16.820 1.00 0.00 H new ATOM 0 HA SER A 367 3.555 34.640 19.350 1.00 0.00 H new ATOM 0 HB2 SER A 367 3.148 32.660 17.863 1.00 0.00 H new ATOM 0 HB3 SER A 367 4.803 32.134 18.097 1.00 0.00 H new ATOM 0 HG SER A 367 3.325 31.028 19.498 1.00 0.00 H new ATOM 971 N CYS A 368 6.804 34.309 19.407 1.00 0.00 N ATOM 972 CA CYS A 368 8.033 34.360 20.240 1.00 0.00 C ATOM 973 C CYS A 368 8.183 35.700 20.991 1.00 0.00 C ATOM 974 O CYS A 368 8.878 35.764 22.017 1.00 0.00 O ATOM 975 CB CYS A 368 9.288 34.053 19.370 1.00 0.00 C ATOM 976 SG CYS A 368 9.700 32.293 19.305 1.00 0.00 S ATOM 0 H CYS A 368 6.985 34.420 18.409 1.00 0.00 H new ATOM 0 HA CYS A 368 7.942 33.589 21.006 1.00 0.00 H new ATOM 0 HB2 CYS A 368 9.117 34.417 18.357 1.00 0.00 H new ATOM 0 HB3 CYS A 368 10.140 34.604 19.767 1.00 0.00 H new ATOM 0 HG CYS A 368 10.132 31.992 18.116 1.00 0.00 H new