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 -94:sc= 0.175 USER MOD Set 1.2: A 341 CYS SG : rot 71:sc= 0.565 USER MOD Set 1.3: A 365 CYS SG : rot -34:sc= -1.2 USER MOD Set 1.4: A 368 CYS SG : rot -46:sc= -2.19 USER MOD Set 2.1: A 323 CYS SG : rot -164:sc= -0.514 USER MOD Set 2.2: A 326 CYS SG : rot -64:sc= 0.341 USER MOD Set 2.3: A 346 HIS : no HD1:sc= -0.528! C(o=-3.3!,f=-8.1!) USER MOD Set 2.4: A 349 CYS SG : rot -150:sc= -2.63! USER MOD Single : A 324 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 334 LYS NZ :NH3+ 180:sc= 0.589 (180deg=0.589) USER MOD Single : A 335 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.1) USER MOD Single : A 343 MET CE :methyl 161:sc= -1.48 (180deg=-2.32!) USER MOD Single : A 348 TYR OH : rot 180:sc= 0 USER MOD Single : A 351 LYS NZ :NH3+ -173:sc=-0.00239 (180deg=-0.0752) USER MOD Single : A 355 THR OG1 : rot -27:sc= 0.309 USER MOD Single : A 356 SER OG : rot 180:sc= 0 USER MOD Single : A 364 TYR OH : rot 180:sc= 0 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 285 N ALA A 322 6.327 19.619 10.110 1.00 0.00 N ATOM 286 CA ALA A 322 5.663 20.473 9.119 1.00 0.00 C ATOM 287 C ALA A 322 5.464 21.887 9.670 1.00 0.00 C ATOM 288 O ALA A 322 5.834 22.188 10.816 1.00 0.00 O ATOM 289 CB ALA A 322 4.313 19.829 8.717 1.00 0.00 C ATOM 0 HA ALA A 322 6.291 20.558 8.232 1.00 0.00 H new ATOM 0 HB1 ALA A 322 3.814 20.459 7.980 1.00 0.00 H new ATOM 0 HB2 ALA A 322 4.493 18.843 8.289 1.00 0.00 H new ATOM 0 HB3 ALA A 322 3.680 19.731 9.599 1.00 0.00 H new ATOM 295 N CYS A 323 4.891 22.762 8.830 1.00 0.00 N ATOM 296 CA CYS A 323 4.443 24.091 9.256 1.00 0.00 C ATOM 297 C CYS A 323 3.202 23.942 10.139 1.00 0.00 C ATOM 298 O CYS A 323 2.090 23.837 9.630 1.00 0.00 O ATOM 299 CB CYS A 323 4.190 24.992 8.032 1.00 0.00 C ATOM 300 SG CYS A 323 3.188 26.481 8.340 1.00 0.00 S ATOM 0 H CYS A 323 4.727 22.567 7.842 1.00 0.00 H new ATOM 0 HA CYS A 323 5.220 24.578 9.846 1.00 0.00 H new ATOM 0 HB2 CYS A 323 5.153 25.302 7.627 1.00 0.00 H new ATOM 0 HB3 CYS A 323 3.697 24.398 7.262 1.00 0.00 H new ATOM 0 HG CYS A 323 2.762 26.959 7.209 1.00 0.00 H new ATOM 305 N HIS A 324 3.433 23.964 11.473 1.00 0.00 N ATOM 306 CA HIS A 324 2.502 23.446 12.499 1.00 0.00 C ATOM 307 C HIS A 324 1.177 24.228 12.526 1.00 0.00 C ATOM 308 O HIS A 324 0.127 23.687 12.883 1.00 0.00 O ATOM 309 CB HIS A 324 3.199 23.505 13.888 1.00 0.00 C ATOM 310 CG HIS A 324 2.541 22.672 14.963 1.00 0.00 C ATOM 311 ND1 HIS A 324 1.873 23.192 16.054 1.00 0.00 N ATOM 312 CD2 HIS A 324 2.487 21.322 15.110 1.00 0.00 C ATOM 313 CE1 HIS A 324 1.444 22.171 16.804 1.00 0.00 C ATOM 314 NE2 HIS A 324 1.793 21.014 16.275 1.00 0.00 N ATOM 0 H HIS A 324 4.289 24.350 11.872 1.00 0.00 H new ATOM 0 HA HIS A 324 2.253 22.415 12.249 1.00 0.00 H new ATOM 0 HB2 HIS A 324 4.232 23.176 13.775 1.00 0.00 H new ATOM 0 HB3 HIS A 324 3.229 24.543 14.220 1.00 0.00 H new ATOM 0 HD2 HIS A 324 2.916 20.602 14.429 1.00 0.00 H new ATOM 0 HE1 HIS A 324 0.885 22.280 17.722 1.00 0.00 H new ATOM 0 HE2 HIS A 324 1.595 20.084 16.645 1.00 0.00 H new ATOM 322 N VAL A 325 1.247 25.500 12.106 1.00 0.00 N ATOM 323 CA VAL A 325 0.094 26.418 12.096 1.00 0.00 C ATOM 324 C VAL A 325 -0.984 26.013 11.049 1.00 0.00 C ATOM 325 O VAL A 325 -2.136 26.429 11.159 1.00 0.00 O ATOM 326 CB VAL A 325 0.545 27.915 11.881 1.00 0.00 C ATOM 327 CG1 VAL A 325 1.168 28.513 13.165 1.00 0.00 C ATOM 328 CG2 VAL A 325 1.529 28.028 10.697 1.00 0.00 C ATOM 0 H VAL A 325 2.108 25.924 11.762 1.00 0.00 H new ATOM 0 HA VAL A 325 -0.367 26.338 13.081 1.00 0.00 H new ATOM 0 HB VAL A 325 -0.348 28.494 11.645 1.00 0.00 H new ATOM 0 HG11 VAL A 325 1.466 29.545 12.978 1.00 0.00 H new ATOM 0 HG12 VAL A 325 0.435 28.488 13.971 1.00 0.00 H new ATOM 0 HG13 VAL A 325 2.042 27.929 13.451 1.00 0.00 H new ATOM 0 HG21 VAL A 325 1.826 29.069 10.568 1.00 0.00 H new ATOM 0 HG22 VAL A 325 2.412 27.421 10.899 1.00 0.00 H new ATOM 0 HG23 VAL A 325 1.045 27.674 9.787 1.00 0.00 H new ATOM 338 N CYS A 326 -0.594 25.207 10.036 1.00 0.00 N ATOM 339 CA CYS A 326 -1.550 24.579 9.074 1.00 0.00 C ATOM 340 C CYS A 326 -1.289 23.062 8.968 1.00 0.00 C ATOM 341 O CYS A 326 -2.002 22.353 8.251 1.00 0.00 O ATOM 342 CB CYS A 326 -1.468 25.232 7.663 1.00 0.00 C ATOM 343 SG CYS A 326 0.097 24.970 6.762 1.00 0.00 S ATOM 0 H CYS A 326 0.382 24.970 9.856 1.00 0.00 H new ATOM 0 HA CYS A 326 -2.555 24.747 9.461 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -2.286 24.844 7.055 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -1.630 26.305 7.769 1.00 0.00 H new ATOM 0 HG CYS A 326 1.071 25.538 7.409 1.00 0.00 H new ATOM 348 N GLY A 327 -0.272 22.580 9.717 1.00 0.00 N ATOM 349 CA GLY A 327 0.162 21.178 9.696 1.00 0.00 C ATOM 350 C GLY A 327 0.603 20.662 8.324 1.00 0.00 C ATOM 351 O GLY A 327 0.601 19.449 8.094 1.00 0.00 O ATOM 0 H GLY A 327 0.270 23.163 10.355 1.00 0.00 H new ATOM 0 HA2 GLY A 327 0.989 21.058 10.396 1.00 0.00 H new ATOM 0 HA3 GLY A 327 -0.655 20.554 10.057 1.00 0.00 H new ATOM 355 N GLY A 328 1.015 21.579 7.429 1.00 0.00 N ATOM 356 CA GLY A 328 1.269 21.246 6.019 1.00 0.00 C ATOM 357 C GLY A 328 2.743 21.307 5.625 1.00 0.00 C ATOM 358 O GLY A 328 3.484 22.179 6.099 1.00 0.00 O ATOM 0 H GLY A 328 1.179 22.559 7.661 1.00 0.00 H new ATOM 0 HA2 GLY A 328 0.891 20.244 5.819 1.00 0.00 H new ATOM 0 HA3 GLY A 328 0.705 21.932 5.387 1.00 0.00 H new ATOM 362 N ARG A 329 3.157 20.352 4.754 1.00 0.00 N ATOM 363 CA ARG A 329 4.477 20.335 4.065 1.00 0.00 C ATOM 364 C ARG A 329 4.357 20.969 2.668 1.00 0.00 C ATOM 365 O ARG A 329 5.199 20.748 1.783 1.00 0.00 O ATOM 366 CB ARG A 329 5.021 18.879 3.946 1.00 0.00 C ATOM 367 CG ARG A 329 5.474 18.237 5.278 1.00 0.00 C ATOM 368 CD ARG A 329 6.613 19.020 5.961 1.00 0.00 C ATOM 369 NE ARG A 329 7.845 19.081 5.160 1.00 0.00 N ATOM 370 CZ ARG A 329 8.998 19.657 5.557 1.00 0.00 C ATOM 371 NH1 ARG A 329 9.087 20.290 6.717 1.00 0.00 N ATOM 372 NH2 ARG A 329 10.054 19.604 4.769 1.00 0.00 N ATOM 0 H ARG A 329 2.572 19.555 4.504 1.00 0.00 H new ATOM 0 HA ARG A 329 5.180 20.918 4.660 1.00 0.00 H new ATOM 0 HB2 ARG A 329 4.246 18.253 3.504 1.00 0.00 H new ATOM 0 HB3 ARG A 329 5.864 18.878 3.255 1.00 0.00 H new ATOM 0 HG2 ARG A 329 4.622 18.178 5.956 1.00 0.00 H new ATOM 0 HG3 ARG A 329 5.803 17.215 5.090 1.00 0.00 H new ATOM 0 HD2 ARG A 329 6.273 20.035 6.168 1.00 0.00 H new ATOM 0 HD3 ARG A 329 6.836 18.557 6.922 1.00 0.00 H new ATOM 0 HE ARG A 329 7.826 18.655 4.233 1.00 0.00 H new ATOM 0 HH11 ARG A 329 8.274 20.349 7.330 1.00 0.00 H new ATOM 0 HH12 ARG A 329 9.969 20.719 6.998 1.00 0.00 H new ATOM 0 HH21 ARG A 329 9.994 19.130 3.868 1.00 0.00 H new ATOM 0 HH22 ARG A 329 10.930 20.037 5.061 1.00 0.00 H new ATOM 386 N GLU A 330 3.326 21.801 2.520 1.00 0.00 N ATOM 387 CA GLU A 330 3.050 22.580 1.306 1.00 0.00 C ATOM 388 C GLU A 330 4.152 23.641 1.117 1.00 0.00 C ATOM 389 O GLU A 330 4.990 23.785 2.019 1.00 0.00 O ATOM 390 CB GLU A 330 1.660 23.257 1.477 1.00 0.00 C ATOM 391 CG GLU A 330 0.571 22.329 2.067 1.00 0.00 C ATOM 392 CD GLU A 330 -0.740 23.067 2.378 1.00 0.00 C ATOM 393 OE1 GLU A 330 -1.708 22.973 1.589 1.00 0.00 O ATOM 394 OE2 GLU A 330 -0.799 23.771 3.414 1.00 0.00 O ATOM 0 H GLU A 330 2.640 21.958 3.258 1.00 0.00 H new ATOM 0 HA GLU A 330 3.040 21.938 0.425 1.00 0.00 H new ATOM 0 HB2 GLU A 330 1.769 24.127 2.124 1.00 0.00 H new ATOM 0 HB3 GLU A 330 1.324 23.622 0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 330 0.369 21.521 1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 330 0.949 21.869 2.980 1.00 0.00 H new ATOM 401 N ALA A 331 4.152 24.335 -0.052 1.00 0.00 N ATOM 402 CA ALA A 331 5.034 25.502 -0.365 1.00 0.00 C ATOM 403 C ALA A 331 6.422 25.443 0.353 1.00 0.00 C ATOM 404 O ALA A 331 6.673 26.212 1.296 1.00 0.00 O ATOM 405 CB ALA A 331 4.275 26.809 -0.056 1.00 0.00 C ATOM 0 H ALA A 331 3.527 24.097 -0.822 1.00 0.00 H new ATOM 0 HA ALA A 331 5.271 25.466 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 331 4.914 27.663 -0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 331 3.373 26.859 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 331 4.001 26.830 0.999 1.00 0.00 H new ATOM 411 N PRO A 332 7.310 24.471 -0.048 1.00 0.00 N ATOM 412 CA PRO A 332 8.507 24.070 0.753 1.00 0.00 C ATOM 413 C PRO A 332 9.486 25.228 1.063 1.00 0.00 C ATOM 414 O PRO A 332 10.095 25.260 2.141 1.00 0.00 O ATOM 415 CB PRO A 332 9.175 22.958 -0.114 1.00 0.00 C ATOM 416 CG PRO A 332 8.627 23.161 -1.495 1.00 0.00 C ATOM 417 CD PRO A 332 7.220 23.679 -1.307 1.00 0.00 C ATOM 0 HA PRO A 332 8.217 23.731 1.747 1.00 0.00 H new ATOM 0 HB2 PRO A 332 10.261 23.048 -0.103 1.00 0.00 H new ATOM 0 HB3 PRO A 332 8.934 21.965 0.264 1.00 0.00 H new ATOM 0 HG2 PRO A 332 9.234 23.872 -2.056 1.00 0.00 H new ATOM 0 HG3 PRO A 332 8.628 22.227 -2.057 1.00 0.00 H new ATOM 0 HD2 PRO A 332 6.903 24.296 -2.148 1.00 0.00 H new ATOM 0 HD3 PRO A 332 6.500 22.865 -1.219 1.00 0.00 H new ATOM 425 N GLU A 333 9.608 26.175 0.118 1.00 0.00 N ATOM 426 CA GLU A 333 10.485 27.356 0.265 1.00 0.00 C ATOM 427 C GLU A 333 9.926 28.347 1.311 1.00 0.00 C ATOM 428 O GLU A 333 10.685 28.975 2.046 1.00 0.00 O ATOM 429 CB GLU A 333 10.677 28.063 -1.099 1.00 0.00 C ATOM 430 CG GLU A 333 9.375 28.598 -1.736 1.00 0.00 C ATOM 431 CD GLU A 333 9.610 29.385 -3.032 1.00 0.00 C ATOM 432 OE1 GLU A 333 9.686 28.768 -4.117 1.00 0.00 O ATOM 433 OE2 GLU A 333 9.727 30.627 -2.970 1.00 0.00 O ATOM 0 H GLU A 333 9.104 26.147 -0.768 1.00 0.00 H new ATOM 0 HA GLU A 333 11.455 27.007 0.619 1.00 0.00 H new ATOM 0 HB2 GLU A 333 11.370 28.894 -0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 333 11.145 27.364 -1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 333 8.710 27.760 -1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 333 8.865 29.239 -1.018 1.00 0.00 H new ATOM 440 N LYS A 334 8.582 28.458 1.376 1.00 0.00 N ATOM 441 CA LYS A 334 7.900 29.409 2.276 1.00 0.00 C ATOM 442 C LYS A 334 7.953 28.932 3.740 1.00 0.00 C ATOM 443 O LYS A 334 7.773 29.742 4.649 1.00 0.00 O ATOM 444 CB LYS A 334 6.425 29.630 1.831 1.00 0.00 C ATOM 445 CG LYS A 334 6.242 30.196 0.405 1.00 0.00 C ATOM 446 CD LYS A 334 6.905 31.578 0.206 1.00 0.00 C ATOM 447 CE LYS A 334 6.536 32.240 -1.135 1.00 0.00 C ATOM 448 NZ LYS A 334 6.973 31.439 -2.312 1.00 0.00 N ATOM 0 H LYS A 334 7.945 27.896 0.811 1.00 0.00 H new ATOM 0 HA LYS A 334 8.429 30.360 2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 334 5.897 28.679 1.897 1.00 0.00 H new ATOM 0 HB3 LYS A 334 5.948 30.309 2.537 1.00 0.00 H new ATOM 0 HG2 LYS A 334 6.662 29.493 -0.314 1.00 0.00 H new ATOM 0 HG3 LYS A 334 5.177 30.277 0.188 1.00 0.00 H new ATOM 0 HD2 LYS A 334 6.609 32.237 1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 334 7.988 31.466 0.263 1.00 0.00 H new ATOM 0 HE2 LYS A 334 5.456 32.384 -1.179 1.00 0.00 H new ATOM 0 HE3 LYS A 334 6.992 33.229 -1.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 6.700 31.930 -3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 8.006 31.323 -2.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 6.519 30.504 -2.284 1.00 0.00 H new ATOM 462 N GLN A 335 8.188 27.612 3.951 1.00 0.00 N ATOM 463 CA GLN A 335 8.305 27.016 5.302 1.00 0.00 C ATOM 464 C GLN A 335 9.604 27.476 5.993 1.00 0.00 C ATOM 465 O GLN A 335 10.636 26.809 5.905 1.00 0.00 O ATOM 466 CB GLN A 335 8.245 25.458 5.249 1.00 0.00 C ATOM 467 CG GLN A 335 6.894 24.872 4.809 1.00 0.00 C ATOM 468 CD GLN A 335 6.784 23.361 5.043 1.00 0.00 C ATOM 469 OE1 GLN A 335 6.341 22.911 6.105 1.00 0.00 O ATOM 470 NE2 GLN A 335 7.187 22.572 4.061 1.00 0.00 N ATOM 0 H GLN A 335 8.301 26.937 3.194 1.00 0.00 H new ATOM 0 HA GLN A 335 7.454 27.366 5.886 1.00 0.00 H new ATOM 0 HB2 GLN A 335 9.017 25.103 4.566 1.00 0.00 H new ATOM 0 HB3 GLN A 335 8.489 25.067 6.237 1.00 0.00 H new ATOM 0 HG2 GLN A 335 6.093 25.376 5.351 1.00 0.00 H new ATOM 0 HG3 GLN A 335 6.743 25.081 3.750 1.00 0.00 H new ATOM 0 HE21 GLN A 335 7.548 22.977 3.197 1.00 0.00 H new ATOM 0 HE22 GLN A 335 7.137 21.559 4.168 1.00 0.00 H new ATOM 479 N LEU A 336 9.542 28.646 6.638 1.00 0.00 N ATOM 480 CA LEU A 336 10.664 29.202 7.405 1.00 0.00 C ATOM 481 C LEU A 336 10.733 28.568 8.799 1.00 0.00 C ATOM 482 O LEU A 336 9.745 28.554 9.540 1.00 0.00 O ATOM 483 CB LEU A 336 10.535 30.737 7.515 1.00 0.00 C ATOM 484 CG LEU A 336 10.682 31.520 6.179 1.00 0.00 C ATOM 485 CD1 LEU A 336 10.482 33.033 6.389 1.00 0.00 C ATOM 486 CD2 LEU A 336 12.047 31.231 5.519 1.00 0.00 C ATOM 0 H LEU A 336 8.710 29.236 6.643 1.00 0.00 H new ATOM 0 HA LEU A 336 11.589 28.970 6.877 1.00 0.00 H new ATOM 0 HB2 LEU A 336 9.563 30.972 7.948 1.00 0.00 H new ATOM 0 HB3 LEU A 336 11.291 31.098 8.212 1.00 0.00 H new ATOM 0 HG LEU A 336 9.898 31.174 5.505 1.00 0.00 H new ATOM 0 HD11 LEU A 336 10.591 33.550 5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 336 9.485 33.216 6.789 1.00 0.00 H new ATOM 0 HD13 LEU A 336 11.228 33.405 7.091 1.00 0.00 H new ATOM 0 HD21 LEU A 336 12.126 31.790 4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 336 12.848 31.534 6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 336 12.132 30.164 5.311 1.00 0.00 H new ATOM 498 N LEU A 337 11.927 28.090 9.153 1.00 0.00 N ATOM 499 CA LEU A 337 12.176 27.375 10.412 1.00 0.00 C ATOM 500 C LEU A 337 12.515 28.389 11.522 1.00 0.00 C ATOM 501 O LEU A 337 13.392 29.232 11.351 1.00 0.00 O ATOM 502 CB LEU A 337 13.338 26.337 10.230 1.00 0.00 C ATOM 503 CG LEU A 337 12.995 24.995 9.500 1.00 0.00 C ATOM 504 CD1 LEU A 337 11.924 24.196 10.269 1.00 0.00 C ATOM 505 CD2 LEU A 337 12.591 25.219 8.027 1.00 0.00 C ATOM 0 H LEU A 337 12.758 28.188 8.570 1.00 0.00 H new ATOM 0 HA LEU A 337 11.278 26.827 10.699 1.00 0.00 H new ATOM 0 HB2 LEU A 337 14.142 26.824 9.679 1.00 0.00 H new ATOM 0 HB3 LEU A 337 13.730 26.093 11.217 1.00 0.00 H new ATOM 0 HG LEU A 337 13.906 24.397 9.487 1.00 0.00 H new ATOM 0 HD11 LEU A 337 11.708 23.270 9.736 1.00 0.00 H new ATOM 0 HD12 LEU A 337 12.292 23.962 11.268 1.00 0.00 H new ATOM 0 HD13 LEU A 337 11.013 24.790 10.347 1.00 0.00 H new ATOM 0 HD21 LEU A 337 12.362 24.260 7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 337 11.711 25.861 7.985 1.00 0.00 H new ATOM 0 HD23 LEU A 337 13.413 25.694 7.492 1.00 0.00 H new ATOM 517 N CYS A 338 11.762 28.317 12.631 1.00 0.00 N ATOM 518 CA CYS A 338 11.997 29.128 13.837 1.00 0.00 C ATOM 519 C CYS A 338 12.813 28.284 14.815 1.00 0.00 C ATOM 520 O CYS A 338 12.257 27.363 15.416 1.00 0.00 O ATOM 521 CB CYS A 338 10.649 29.534 14.472 1.00 0.00 C ATOM 522 SG CYS A 338 10.770 30.748 15.831 1.00 0.00 S ATOM 0 H CYS A 338 10.964 27.687 12.717 1.00 0.00 H new ATOM 0 HA CYS A 338 12.538 30.040 13.585 1.00 0.00 H new ATOM 0 HB2 CYS A 338 10.007 29.946 13.693 1.00 0.00 H new ATOM 0 HB3 CYS A 338 10.157 28.637 14.849 1.00 0.00 H new ATOM 0 HG CYS A 338 10.821 30.122 16.969 1.00 0.00 H new ATOM 527 N ASP A 339 14.114 28.606 14.945 1.00 0.00 N ATOM 528 CA ASP A 339 15.117 27.783 15.677 1.00 0.00 C ATOM 529 C ASP A 339 14.630 27.319 17.071 1.00 0.00 C ATOM 530 O ASP A 339 14.670 26.127 17.388 1.00 0.00 O ATOM 531 CB ASP A 339 16.449 28.575 15.803 1.00 0.00 C ATOM 532 CG ASP A 339 17.568 27.807 16.543 1.00 0.00 C ATOM 533 OD1 ASP A 339 17.926 26.688 16.108 1.00 0.00 O ATOM 534 OD2 ASP A 339 18.107 28.324 17.550 1.00 0.00 O ATOM 0 H ASP A 339 14.511 29.455 14.542 1.00 0.00 H new ATOM 0 HA ASP A 339 15.273 26.876 15.093 1.00 0.00 H new ATOM 0 HB2 ASP A 339 16.800 28.836 14.805 1.00 0.00 H new ATOM 0 HB3 ASP A 339 16.256 29.510 16.328 1.00 0.00 H new ATOM 539 N GLU A 340 14.132 28.274 17.865 1.00 0.00 N ATOM 540 CA GLU A 340 13.656 28.034 19.242 1.00 0.00 C ATOM 541 C GLU A 340 12.388 27.130 19.263 1.00 0.00 C ATOM 542 O GLU A 340 12.282 26.224 20.089 1.00 0.00 O ATOM 543 CB GLU A 340 13.482 29.426 19.968 1.00 0.00 C ATOM 544 CG GLU A 340 12.231 29.630 20.857 1.00 0.00 C ATOM 545 CD GLU A 340 10.934 29.944 20.091 1.00 0.00 C ATOM 546 OE1 GLU A 340 9.850 29.912 20.712 1.00 0.00 O ATOM 547 OE2 GLU A 340 10.986 30.208 18.852 1.00 0.00 O ATOM 0 H GLU A 340 14.045 29.247 17.571 1.00 0.00 H new ATOM 0 HA GLU A 340 14.395 27.465 19.806 1.00 0.00 H new ATOM 0 HB2 GLU A 340 14.363 29.592 20.588 1.00 0.00 H new ATOM 0 HB3 GLU A 340 13.479 30.203 19.204 1.00 0.00 H new ATOM 0 HG2 GLU A 340 12.075 28.730 21.451 1.00 0.00 H new ATOM 0 HG3 GLU A 340 12.429 30.443 21.556 1.00 0.00 H new ATOM 554 N CYS A 341 11.446 27.377 18.334 1.00 0.00 N ATOM 555 CA CYS A 341 10.191 26.591 18.226 1.00 0.00 C ATOM 556 C CYS A 341 10.436 25.196 17.605 1.00 0.00 C ATOM 557 O CYS A 341 9.659 24.266 17.846 1.00 0.00 O ATOM 558 CB CYS A 341 9.135 27.356 17.385 1.00 0.00 C ATOM 559 SG CYS A 341 8.431 28.826 18.195 1.00 0.00 S ATOM 0 H CYS A 341 11.527 28.120 17.640 1.00 0.00 H new ATOM 0 HA CYS A 341 9.815 26.451 19.239 1.00 0.00 H new ATOM 0 HB2 CYS A 341 9.593 27.661 16.444 1.00 0.00 H new ATOM 0 HB3 CYS A 341 8.324 26.672 17.137 1.00 0.00 H new ATOM 0 HG CYS A 341 9.334 29.759 18.261 1.00 0.00 H new ATOM 564 N ASP A 342 11.518 25.090 16.806 1.00 0.00 N ATOM 565 CA ASP A 342 11.845 23.911 15.957 1.00 0.00 C ATOM 566 C ASP A 342 10.783 23.654 14.868 1.00 0.00 C ATOM 567 O ASP A 342 10.778 22.590 14.235 1.00 0.00 O ATOM 568 CB ASP A 342 12.070 22.618 16.794 1.00 0.00 C ATOM 569 CG ASP A 342 13.267 22.714 17.753 1.00 0.00 C ATOM 570 OD1 ASP A 342 14.427 22.660 17.282 1.00 0.00 O ATOM 571 OD2 ASP A 342 13.055 22.847 18.981 1.00 0.00 O ATOM 0 H ASP A 342 12.209 25.836 16.727 1.00 0.00 H new ATOM 0 HA ASP A 342 12.783 24.164 15.463 1.00 0.00 H new ATOM 0 HB2 ASP A 342 11.169 22.405 17.369 1.00 0.00 H new ATOM 0 HB3 ASP A 342 12.222 21.777 16.117 1.00 0.00 H new ATOM 576 N MET A 343 9.923 24.649 14.606 1.00 0.00 N ATOM 577 CA MET A 343 8.771 24.483 13.700 1.00 0.00 C ATOM 578 C MET A 343 8.926 25.349 12.456 1.00 0.00 C ATOM 579 O MET A 343 9.480 26.453 12.518 1.00 0.00 O ATOM 580 CB MET A 343 7.429 24.832 14.406 1.00 0.00 C ATOM 581 CG MET A 343 7.177 24.087 15.722 1.00 0.00 C ATOM 582 SD MET A 343 7.504 22.310 15.633 1.00 0.00 S ATOM 583 CE MET A 343 6.497 21.797 14.244 1.00 0.00 C ATOM 0 H MET A 343 10.002 25.582 15.010 1.00 0.00 H new ATOM 0 HA MET A 343 8.747 23.433 13.408 1.00 0.00 H new ATOM 0 HB2 MET A 343 7.407 25.904 14.603 1.00 0.00 H new ATOM 0 HB3 MET A 343 6.609 24.617 13.721 1.00 0.00 H new ATOM 0 HG2 MET A 343 7.803 24.523 16.501 1.00 0.00 H new ATOM 0 HG3 MET A 343 6.141 24.241 16.023 1.00 0.00 H new ATOM 0 HE1 MET A 343 6.851 20.835 13.874 1.00 0.00 H new ATOM 0 HE2 MET A 343 5.459 21.704 14.562 1.00 0.00 H new ATOM 0 HE3 MET A 343 6.568 22.540 13.449 1.00 0.00 H new ATOM 593 N ALA A 344 8.408 24.828 11.338 1.00 0.00 N ATOM 594 CA ALA A 344 8.330 25.554 10.065 1.00 0.00 C ATOM 595 C ALA A 344 7.097 26.469 10.071 1.00 0.00 C ATOM 596 O ALA A 344 6.117 26.195 10.781 1.00 0.00 O ATOM 597 CB ALA A 344 8.290 24.563 8.890 1.00 0.00 C ATOM 0 H ALA A 344 8.028 23.883 11.291 1.00 0.00 H new ATOM 0 HA ALA A 344 9.217 26.175 9.942 1.00 0.00 H new ATOM 0 HB1 ALA A 344 8.232 25.114 7.951 1.00 0.00 H new ATOM 0 HB2 ALA A 344 9.193 23.953 8.898 1.00 0.00 H new ATOM 0 HB3 ALA A 344 7.416 23.919 8.987 1.00 0.00 H new ATOM 603 N PHE A 345 7.155 27.572 9.312 1.00 0.00 N ATOM 604 CA PHE A 345 6.061 28.559 9.230 1.00 0.00 C ATOM 605 C PHE A 345 6.055 29.208 7.840 1.00 0.00 C ATOM 606 O PHE A 345 7.033 29.851 7.463 1.00 0.00 O ATOM 607 CB PHE A 345 6.213 29.672 10.311 1.00 0.00 C ATOM 608 CG PHE A 345 6.124 29.193 11.759 1.00 0.00 C ATOM 609 CD1 PHE A 345 7.272 28.998 12.530 1.00 0.00 C ATOM 610 CD2 PHE A 345 4.890 28.912 12.339 1.00 0.00 C ATOM 611 CE1 PHE A 345 7.181 28.548 13.835 1.00 0.00 C ATOM 612 CE2 PHE A 345 4.803 28.464 13.642 1.00 0.00 C ATOM 613 CZ PHE A 345 5.947 28.280 14.389 1.00 0.00 C ATOM 0 H PHE A 345 7.962 27.809 8.735 1.00 0.00 H new ATOM 0 HA PHE A 345 5.123 28.033 9.407 1.00 0.00 H new ATOM 0 HB2 PHE A 345 7.174 30.166 10.168 1.00 0.00 H new ATOM 0 HB3 PHE A 345 5.441 30.423 10.146 1.00 0.00 H new ATOM 0 HD1 PHE A 345 8.243 29.201 12.102 1.00 0.00 H new ATOM 0 HD2 PHE A 345 3.988 29.046 11.761 1.00 0.00 H new ATOM 0 HE1 PHE A 345 8.077 28.406 14.421 1.00 0.00 H new ATOM 0 HE2 PHE A 345 3.836 28.257 14.077 1.00 0.00 H new ATOM 0 HZ PHE A 345 5.877 27.926 15.407 1.00 0.00 H new ATOM 623 N HIS A 346 4.950 29.034 7.089 1.00 0.00 N ATOM 624 CA HIS A 346 4.747 29.714 5.791 1.00 0.00 C ATOM 625 C HIS A 346 4.627 31.235 5.999 1.00 0.00 C ATOM 626 O HIS A 346 4.089 31.671 7.021 1.00 0.00 O ATOM 627 CB HIS A 346 3.474 29.188 5.077 1.00 0.00 C ATOM 628 CG HIS A 346 3.571 27.780 4.552 1.00 0.00 C ATOM 629 ND1 HIS A 346 2.678 26.796 4.921 1.00 0.00 N ATOM 630 CD2 HIS A 346 4.445 27.264 3.672 1.00 0.00 C ATOM 631 CE1 HIS A 346 3.042 25.723 4.251 1.00 0.00 C ATOM 632 NE2 HIS A 346 4.108 25.966 3.487 1.00 0.00 N ATOM 0 H HIS A 346 4.178 28.424 7.360 1.00 0.00 H new ATOM 0 HA HIS A 346 5.612 29.499 5.163 1.00 0.00 H new ATOM 0 HB2 HIS A 346 2.637 29.243 5.773 1.00 0.00 H new ATOM 0 HB3 HIS A 346 3.241 29.854 4.246 1.00 0.00 H new ATOM 0 HD2 HIS A 346 5.264 27.787 3.200 1.00 0.00 H new ATOM 0 HE1 HIS A 346 2.541 24.768 4.312 1.00 0.00 H new ATOM 0 HE2 HIS A 346 4.581 25.299 2.877 1.00 0.00 H new ATOM 640 N LEU A 347 5.104 32.018 5.012 1.00 0.00 N ATOM 641 CA LEU A 347 5.015 33.496 5.025 1.00 0.00 C ATOM 642 C LEU A 347 3.553 33.975 5.183 1.00 0.00 C ATOM 643 O LEU A 347 3.268 34.876 5.976 1.00 0.00 O ATOM 644 CB LEU A 347 5.638 34.085 3.728 1.00 0.00 C ATOM 645 CG LEU A 347 7.195 34.031 3.620 1.00 0.00 C ATOM 646 CD1 LEU A 347 7.684 34.619 2.277 1.00 0.00 C ATOM 647 CD2 LEU A 347 7.856 34.756 4.812 1.00 0.00 C ATOM 0 H LEU A 347 5.563 31.645 4.181 1.00 0.00 H new ATOM 0 HA LEU A 347 5.578 33.856 5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 347 5.218 33.553 2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 347 5.325 35.125 3.640 1.00 0.00 H new ATOM 0 HG LEU A 347 7.494 32.983 3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 347 8.772 34.567 2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 347 7.259 34.046 1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 347 7.367 35.659 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 347 8.940 34.704 4.713 1.00 0.00 H new ATOM 0 HD22 LEU A 347 7.542 35.800 4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 347 7.553 34.277 5.743 1.00 0.00 H new ATOM 659 N TYR A 348 2.640 33.332 4.435 1.00 0.00 N ATOM 660 CA TYR A 348 1.196 33.639 4.473 1.00 0.00 C ATOM 661 C TYR A 348 0.503 33.024 5.719 1.00 0.00 C ATOM 662 O TYR A 348 -0.643 33.358 6.021 1.00 0.00 O ATOM 663 CB TYR A 348 0.510 33.195 3.142 1.00 0.00 C ATOM 664 CG TYR A 348 0.674 31.704 2.767 1.00 0.00 C ATOM 665 CD1 TYR A 348 -0.333 30.774 3.040 1.00 0.00 C ATOM 666 CD2 TYR A 348 1.834 31.232 2.131 1.00 0.00 C ATOM 667 CE1 TYR A 348 -0.192 29.441 2.694 1.00 0.00 C ATOM 668 CE2 TYR A 348 1.975 29.898 1.785 1.00 0.00 C ATOM 669 CZ TYR A 348 0.960 29.007 2.069 1.00 0.00 C ATOM 670 OH TYR A 348 1.104 27.672 1.739 1.00 0.00 O ATOM 0 H TYR A 348 2.881 32.583 3.785 1.00 0.00 H new ATOM 0 HA TYR A 348 1.084 34.719 4.565 1.00 0.00 H new ATOM 0 HB2 TYR A 348 -0.555 33.418 3.212 1.00 0.00 H new ATOM 0 HB3 TYR A 348 0.910 33.801 2.329 1.00 0.00 H new ATOM 0 HD1 TYR A 348 -1.238 31.101 3.530 1.00 0.00 H new ATOM 0 HD2 TYR A 348 2.633 31.924 1.907 1.00 0.00 H new ATOM 0 HE1 TYR A 348 -0.984 28.740 2.913 1.00 0.00 H new ATOM 0 HE2 TYR A 348 2.875 29.557 1.295 1.00 0.00 H new ATOM 0 HH TYR A 348 1.971 27.534 1.304 1.00 0.00 H new ATOM 680 N CYS A 349 1.214 32.132 6.443 1.00 0.00 N ATOM 681 CA CYS A 349 0.732 31.552 7.725 1.00 0.00 C ATOM 682 C CYS A 349 1.188 32.386 8.939 1.00 0.00 C ATOM 683 O CYS A 349 0.957 31.982 10.084 1.00 0.00 O ATOM 684 CB CYS A 349 1.242 30.108 7.900 1.00 0.00 C ATOM 685 SG CYS A 349 0.479 28.877 6.817 1.00 0.00 S ATOM 0 H CYS A 349 2.134 31.793 6.161 1.00 0.00 H new ATOM 0 HA CYS A 349 -0.357 31.559 7.680 1.00 0.00 H new ATOM 0 HB2 CYS A 349 2.319 30.098 7.730 1.00 0.00 H new ATOM 0 HB3 CYS A 349 1.080 29.807 8.935 1.00 0.00 H new ATOM 0 HG CYS A 349 0.467 27.722 7.414 1.00 0.00 H new ATOM 690 N LEU A 350 1.867 33.515 8.696 1.00 0.00 N ATOM 691 CA LEU A 350 2.321 34.417 9.775 1.00 0.00 C ATOM 692 C LEU A 350 1.214 35.426 10.121 1.00 0.00 C ATOM 693 O LEU A 350 0.157 35.443 9.479 1.00 0.00 O ATOM 694 CB LEU A 350 3.640 35.122 9.354 1.00 0.00 C ATOM 695 CG LEU A 350 4.820 34.169 8.970 1.00 0.00 C ATOM 696 CD1 LEU A 350 6.087 34.965 8.610 1.00 0.00 C ATOM 697 CD2 LEU A 350 5.100 33.132 10.087 1.00 0.00 C ATOM 0 H LEU A 350 2.117 33.831 7.759 1.00 0.00 H new ATOM 0 HA LEU A 350 2.528 33.838 10.675 1.00 0.00 H new ATOM 0 HB2 LEU A 350 3.429 35.771 8.504 1.00 0.00 H new ATOM 0 HB3 LEU A 350 3.966 35.764 10.173 1.00 0.00 H new ATOM 0 HG LEU A 350 4.517 33.615 8.082 1.00 0.00 H new ATOM 0 HD11 LEU A 350 6.888 34.274 8.348 1.00 0.00 H new ATOM 0 HD12 LEU A 350 5.878 35.617 7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 350 6.393 35.568 9.465 1.00 0.00 H new ATOM 0 HD21 LEU A 350 5.925 32.487 9.786 1.00 0.00 H new ATOM 0 HD22 LEU A 350 5.363 33.652 11.008 1.00 0.00 H new ATOM 0 HD23 LEU A 350 4.209 32.527 10.253 1.00 0.00 H new ATOM 709 N LYS A 351 1.446 36.246 11.159 1.00 0.00 N ATOM 710 CA LYS A 351 0.508 37.298 11.570 1.00 0.00 C ATOM 711 C LYS A 351 1.314 38.492 12.139 1.00 0.00 C ATOM 712 O LYS A 351 1.695 38.461 13.313 1.00 0.00 O ATOM 713 CB LYS A 351 -0.528 36.752 12.595 1.00 0.00 C ATOM 714 CG LYS A 351 -1.817 37.599 12.686 1.00 0.00 C ATOM 715 CD LYS A 351 -2.583 37.652 11.333 1.00 0.00 C ATOM 716 CE LYS A 351 -3.872 38.485 11.397 1.00 0.00 C ATOM 717 NZ LYS A 351 -4.833 37.944 12.386 1.00 0.00 N ATOM 0 H LYS A 351 2.287 36.197 11.734 1.00 0.00 H new ATOM 0 HA LYS A 351 -0.063 37.641 10.707 1.00 0.00 H new ATOM 0 HB2 LYS A 351 -0.793 35.731 12.321 1.00 0.00 H new ATOM 0 HB3 LYS A 351 -0.063 36.707 13.580 1.00 0.00 H new ATOM 0 HG2 LYS A 351 -2.469 37.184 13.454 1.00 0.00 H new ATOM 0 HG3 LYS A 351 -1.563 38.612 12.997 1.00 0.00 H new ATOM 0 HD2 LYS A 351 -1.927 38.068 10.568 1.00 0.00 H new ATOM 0 HD3 LYS A 351 -2.830 36.637 11.023 1.00 0.00 H new ATOM 0 HE2 LYS A 351 -3.626 39.515 11.656 1.00 0.00 H new ATOM 0 HE3 LYS A 351 -4.339 38.507 10.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 -5.733 38.461 12.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 -4.997 36.935 12.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 -4.445 38.056 13.344 1.00 0.00 H new ATOM 731 N PRO A 352 1.611 39.567 11.327 1.00 0.00 N ATOM 732 CA PRO A 352 1.088 39.770 9.944 1.00 0.00 C ATOM 733 C PRO A 352 1.740 38.828 8.895 1.00 0.00 C ATOM 734 O PRO A 352 2.940 38.519 9.004 1.00 0.00 O ATOM 735 CB PRO A 352 1.442 41.250 9.666 1.00 0.00 C ATOM 736 CG PRO A 352 2.692 41.478 10.449 1.00 0.00 C ATOM 737 CD PRO A 352 2.523 40.675 11.719 1.00 0.00 C ATOM 0 HA PRO A 352 0.025 39.542 9.868 1.00 0.00 H new ATOM 0 HB2 PRO A 352 1.599 41.429 8.602 1.00 0.00 H new ATOM 0 HB3 PRO A 352 0.643 41.918 9.987 1.00 0.00 H new ATOM 0 HG2 PRO A 352 3.570 41.151 9.892 1.00 0.00 H new ATOM 0 HG3 PRO A 352 2.830 42.537 10.669 1.00 0.00 H new ATOM 0 HD2 PRO A 352 3.479 40.296 12.081 1.00 0.00 H new ATOM 0 HD3 PRO A 352 2.096 41.279 12.519 1.00 0.00 H new ATOM 745 N PRO A 353 0.941 38.313 7.901 1.00 0.00 N ATOM 746 CA PRO A 353 1.477 37.506 6.787 1.00 0.00 C ATOM 747 C PRO A 353 2.516 38.298 5.974 1.00 0.00 C ATOM 748 O PRO A 353 2.191 39.342 5.399 1.00 0.00 O ATOM 749 CB PRO A 353 0.224 37.159 5.931 1.00 0.00 C ATOM 750 CG PRO A 353 -0.932 37.320 6.870 1.00 0.00 C ATOM 751 CD PRO A 353 -0.541 38.452 7.796 1.00 0.00 C ATOM 0 HA PRO A 353 2.001 36.614 7.131 1.00 0.00 H new ATOM 0 HB2 PRO A 353 0.133 37.825 5.073 1.00 0.00 H new ATOM 0 HB3 PRO A 353 0.279 36.143 5.541 1.00 0.00 H new ATOM 0 HG2 PRO A 353 -1.849 37.554 6.329 1.00 0.00 H new ATOM 0 HG3 PRO A 353 -1.116 36.402 7.428 1.00 0.00 H new ATOM 0 HD2 PRO A 353 -0.826 39.422 7.388 1.00 0.00 H new ATOM 0 HD3 PRO A 353 -1.024 38.361 8.769 1.00 0.00 H new ATOM 759 N LEU A 354 3.763 37.816 5.974 1.00 0.00 N ATOM 760 CA LEU A 354 4.858 38.428 5.203 1.00 0.00 C ATOM 761 C LEU A 354 4.770 37.983 3.739 1.00 0.00 C ATOM 762 O LEU A 354 4.174 36.948 3.432 1.00 0.00 O ATOM 763 CB LEU A 354 6.239 38.050 5.800 1.00 0.00 C ATOM 764 CG LEU A 354 6.487 38.464 7.283 1.00 0.00 C ATOM 765 CD1 LEU A 354 7.910 38.073 7.740 1.00 0.00 C ATOM 766 CD2 LEU A 354 6.218 39.972 7.516 1.00 0.00 C ATOM 0 H LEU A 354 4.045 36.993 6.506 1.00 0.00 H new ATOM 0 HA LEU A 354 4.756 39.512 5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 354 6.362 36.970 5.721 1.00 0.00 H new ATOM 0 HB3 LEU A 354 7.014 38.505 5.184 1.00 0.00 H new ATOM 0 HG LEU A 354 5.773 37.913 7.895 1.00 0.00 H new ATOM 0 HD11 LEU A 354 8.054 38.374 8.778 1.00 0.00 H new ATOM 0 HD12 LEU A 354 8.036 36.994 7.654 1.00 0.00 H new ATOM 0 HD13 LEU A 354 8.645 38.575 7.111 1.00 0.00 H new ATOM 0 HD21 LEU A 354 6.403 40.217 8.562 1.00 0.00 H new ATOM 0 HD22 LEU A 354 6.880 40.562 6.882 1.00 0.00 H new ATOM 0 HD23 LEU A 354 5.181 40.199 7.268 1.00 0.00 H new ATOM 778 N THR A 355 5.359 38.781 2.844 1.00 0.00 N ATOM 779 CA THR A 355 5.450 38.462 1.406 1.00 0.00 C ATOM 780 C THR A 355 6.908 38.156 1.012 1.00 0.00 C ATOM 781 O THR A 355 7.177 37.713 -0.106 1.00 0.00 O ATOM 782 CB THR A 355 4.887 39.639 0.540 1.00 0.00 C ATOM 783 OG1 THR A 355 4.888 39.286 -0.858 1.00 0.00 O ATOM 784 CG2 THR A 355 5.685 40.942 0.732 1.00 0.00 C ATOM 0 H THR A 355 5.790 39.672 3.092 1.00 0.00 H new ATOM 0 HA THR A 355 4.845 37.576 1.215 1.00 0.00 H new ATOM 0 HB THR A 355 3.866 39.814 0.879 1.00 0.00 H new ATOM 0 HG1 THR A 355 5.589 38.623 -1.027 1.00 0.00 H new ATOM 0 HG21 THR A 355 5.255 41.727 0.110 1.00 0.00 H new ATOM 0 HG22 THR A 355 5.642 41.244 1.779 1.00 0.00 H new ATOM 0 HG23 THR A 355 6.723 40.779 0.443 1.00 0.00 H new ATOM 792 N SER A 356 7.842 38.397 1.945 1.00 0.00 N ATOM 793 CA SER A 356 9.286 38.233 1.719 1.00 0.00 C ATOM 794 C SER A 356 9.945 37.600 2.955 1.00 0.00 C ATOM 795 O SER A 356 9.511 37.839 4.094 1.00 0.00 O ATOM 796 CB SER A 356 9.927 39.609 1.405 1.00 0.00 C ATOM 797 OG SER A 356 9.324 40.208 0.266 1.00 0.00 O ATOM 0 H SER A 356 7.613 38.714 2.887 1.00 0.00 H new ATOM 0 HA SER A 356 9.443 37.571 0.868 1.00 0.00 H new ATOM 0 HB2 SER A 356 9.819 40.269 2.266 1.00 0.00 H new ATOM 0 HB3 SER A 356 10.996 39.484 1.231 1.00 0.00 H new ATOM 0 HG SER A 356 9.745 41.075 0.091 1.00 0.00 H new ATOM 803 N VAL A 357 10.973 36.771 2.710 1.00 0.00 N ATOM 804 CA VAL A 357 11.815 36.190 3.764 1.00 0.00 C ATOM 805 C VAL A 357 12.717 37.300 4.360 1.00 0.00 C ATOM 806 O VAL A 357 13.439 37.964 3.599 1.00 0.00 O ATOM 807 CB VAL A 357 12.703 35.009 3.203 1.00 0.00 C ATOM 808 CG1 VAL A 357 13.642 34.429 4.295 1.00 0.00 C ATOM 809 CG2 VAL A 357 11.817 33.902 2.574 1.00 0.00 C ATOM 0 H VAL A 357 11.243 36.485 1.769 1.00 0.00 H new ATOM 0 HA VAL A 357 11.171 35.778 4.541 1.00 0.00 H new ATOM 0 HB VAL A 357 13.339 35.418 2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 357 14.236 33.619 3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 357 14.305 35.214 4.659 1.00 0.00 H new ATOM 0 HG13 VAL A 357 13.045 34.046 5.122 1.00 0.00 H new ATOM 0 HG21 VAL A 357 12.451 33.100 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 357 11.141 33.503 3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 357 11.236 34.323 1.754 1.00 0.00 H new ATOM 819 N PRO A 358 12.653 37.558 5.711 1.00 0.00 N ATOM 820 CA PRO A 358 13.557 38.517 6.391 1.00 0.00 C ATOM 821 C PRO A 358 15.056 38.165 6.197 1.00 0.00 C ATOM 822 O PRO A 358 15.418 36.983 6.246 1.00 0.00 O ATOM 823 CB PRO A 358 13.157 38.407 7.880 1.00 0.00 C ATOM 824 CG PRO A 358 11.745 37.922 7.850 1.00 0.00 C ATOM 825 CD PRO A 358 11.665 36.984 6.664 1.00 0.00 C ATOM 0 HA PRO A 358 13.453 39.524 5.986 1.00 0.00 H new ATOM 0 HB2 PRO A 358 13.804 37.712 8.415 1.00 0.00 H new ATOM 0 HB3 PRO A 358 13.236 39.370 8.385 1.00 0.00 H new ATOM 0 HG2 PRO A 358 11.487 37.407 8.776 1.00 0.00 H new ATOM 0 HG3 PRO A 358 11.047 38.752 7.742 1.00 0.00 H new ATOM 0 HD2 PRO A 358 11.920 35.961 6.941 1.00 0.00 H new ATOM 0 HD3 PRO A 358 10.662 36.958 6.238 1.00 0.00 H new ATOM 833 N PRO A 359 15.952 39.180 5.984 1.00 0.00 N ATOM 834 CA PRO A 359 17.413 38.951 5.804 1.00 0.00 C ATOM 835 C PRO A 359 18.170 38.803 7.147 1.00 0.00 C ATOM 836 O PRO A 359 19.405 38.805 7.174 1.00 0.00 O ATOM 837 CB PRO A 359 17.842 40.227 5.046 1.00 0.00 C ATOM 838 CG PRO A 359 16.958 41.294 5.622 1.00 0.00 C ATOM 839 CD PRO A 359 15.620 40.633 5.900 1.00 0.00 C ATOM 0 HA PRO A 359 17.638 38.022 5.281 1.00 0.00 H new ATOM 0 HB2 PRO A 359 18.897 40.452 5.204 1.00 0.00 H new ATOM 0 HB3 PRO A 359 17.696 40.123 3.971 1.00 0.00 H new ATOM 0 HG2 PRO A 359 17.387 41.703 6.537 1.00 0.00 H new ATOM 0 HG3 PRO A 359 16.845 42.124 4.924 1.00 0.00 H new ATOM 0 HD2 PRO A 359 15.179 40.997 6.828 1.00 0.00 H new ATOM 0 HD3 PRO A 359 14.902 40.834 5.105 1.00 0.00 H new ATOM 847 N GLU A 360 17.404 38.668 8.242 1.00 0.00 N ATOM 848 CA GLU A 360 17.931 38.569 9.612 1.00 0.00 C ATOM 849 C GLU A 360 18.652 37.207 9.832 1.00 0.00 C ATOM 850 O GLU A 360 18.190 36.181 9.310 1.00 0.00 O ATOM 851 CB GLU A 360 16.756 38.759 10.605 1.00 0.00 C ATOM 852 CG GLU A 360 16.005 40.096 10.415 1.00 0.00 C ATOM 853 CD GLU A 360 14.779 40.254 11.327 1.00 0.00 C ATOM 854 OE1 GLU A 360 13.660 39.888 10.910 1.00 0.00 O ATOM 855 OE2 GLU A 360 14.927 40.746 12.461 1.00 0.00 O ATOM 0 H GLU A 360 16.386 38.624 8.199 1.00 0.00 H new ATOM 0 HA GLU A 360 18.674 39.348 9.782 1.00 0.00 H new ATOM 0 HB2 GLU A 360 16.052 37.935 10.486 1.00 0.00 H new ATOM 0 HB3 GLU A 360 17.139 38.707 11.624 1.00 0.00 H new ATOM 0 HG2 GLU A 360 16.694 40.919 10.603 1.00 0.00 H new ATOM 0 HG3 GLU A 360 15.686 40.178 9.376 1.00 0.00 H new ATOM 862 N PRO A 361 19.796 37.179 10.602 1.00 0.00 N ATOM 863 CA PRO A 361 20.635 35.955 10.778 1.00 0.00 C ATOM 864 C PRO A 361 19.938 34.850 11.610 1.00 0.00 C ATOM 865 O PRO A 361 20.258 33.661 11.469 1.00 0.00 O ATOM 866 CB PRO A 361 21.896 36.499 11.497 1.00 0.00 C ATOM 867 CG PRO A 361 21.403 37.689 12.258 1.00 0.00 C ATOM 868 CD PRO A 361 20.357 38.331 11.370 1.00 0.00 C ATOM 0 HA PRO A 361 20.848 35.464 9.828 1.00 0.00 H new ATOM 0 HB2 PRO A 361 22.328 35.752 12.163 1.00 0.00 H new ATOM 0 HB3 PRO A 361 22.672 36.777 10.784 1.00 0.00 H new ATOM 0 HG2 PRO A 361 20.976 37.393 13.216 1.00 0.00 H new ATOM 0 HG3 PRO A 361 22.216 38.383 12.472 1.00 0.00 H new ATOM 0 HD2 PRO A 361 19.588 38.835 11.956 1.00 0.00 H new ATOM 0 HD3 PRO A 361 20.796 39.078 10.709 1.00 0.00 H new ATOM 876 N GLU A 362 18.994 35.261 12.474 1.00 0.00 N ATOM 877 CA GLU A 362 18.215 34.349 13.322 1.00 0.00 C ATOM 878 C GLU A 362 16.721 34.698 13.207 1.00 0.00 C ATOM 879 O GLU A 362 16.235 35.670 13.791 1.00 0.00 O ATOM 880 CB GLU A 362 18.729 34.404 14.787 1.00 0.00 C ATOM 881 CG GLU A 362 18.854 35.817 15.377 1.00 0.00 C ATOM 882 CD GLU A 362 19.461 35.819 16.782 1.00 0.00 C ATOM 883 OE1 GLU A 362 18.713 35.919 17.777 1.00 0.00 O ATOM 884 OE2 GLU A 362 20.696 35.680 16.903 1.00 0.00 O ATOM 0 H GLU A 362 18.750 36.243 12.603 1.00 0.00 H new ATOM 0 HA GLU A 362 18.343 33.321 12.983 1.00 0.00 H new ATOM 0 HB2 GLU A 362 18.054 33.822 15.415 1.00 0.00 H new ATOM 0 HB3 GLU A 362 19.704 33.920 14.833 1.00 0.00 H new ATOM 0 HG2 GLU A 362 19.471 36.428 14.718 1.00 0.00 H new ATOM 0 HG3 GLU A 362 17.868 36.281 15.411 1.00 0.00 H new ATOM 891 N TRP A 363 16.022 33.921 12.384 1.00 0.00 N ATOM 892 CA TRP A 363 14.596 34.121 12.104 1.00 0.00 C ATOM 893 C TRP A 363 13.730 33.580 13.257 1.00 0.00 C ATOM 894 O TRP A 363 13.945 32.464 13.753 1.00 0.00 O ATOM 895 CB TRP A 363 14.207 33.438 10.767 1.00 0.00 C ATOM 896 CG TRP A 363 12.803 33.767 10.301 1.00 0.00 C ATOM 897 CD1 TRP A 363 12.424 34.856 9.576 1.00 0.00 C ATOM 898 CD2 TRP A 363 11.598 33.019 10.549 1.00 0.00 C ATOM 899 NE1 TRP A 363 11.077 34.824 9.344 1.00 0.00 N ATOM 900 CE2 TRP A 363 10.549 33.712 9.929 1.00 0.00 C ATOM 901 CE3 TRP A 363 11.308 31.833 11.225 1.00 0.00 C ATOM 902 CZ2 TRP A 363 9.237 33.267 9.964 1.00 0.00 C ATOM 903 CZ3 TRP A 363 10.001 31.390 11.263 1.00 0.00 C ATOM 904 CH2 TRP A 363 8.978 32.106 10.634 1.00 0.00 C ATOM 0 H TRP A 363 16.429 33.128 11.887 1.00 0.00 H new ATOM 0 HA TRP A 363 14.413 35.192 12.015 1.00 0.00 H new ATOM 0 HB2 TRP A 363 14.916 33.739 9.996 1.00 0.00 H new ATOM 0 HB3 TRP A 363 14.299 32.358 10.881 1.00 0.00 H new ATOM 0 HD1 TRP A 363 13.091 35.633 9.234 1.00 0.00 H new ATOM 0 HE1 TRP A 363 10.551 35.521 8.817 1.00 0.00 H new ATOM 0 HE3 TRP A 363 12.093 31.271 11.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 363 8.447 33.820 9.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 363 9.765 30.476 11.787 1.00 0.00 H new ATOM 0 HH2 TRP A 363 7.965 31.734 10.679 1.00 0.00 H new ATOM 915 N TYR A 364 12.743 34.387 13.671 1.00 0.00 N ATOM 916 CA TYR A 364 11.724 33.992 14.650 1.00 0.00 C ATOM 917 C TYR A 364 10.329 34.274 14.085 1.00 0.00 C ATOM 918 O TYR A 364 10.136 35.185 13.275 1.00 0.00 O ATOM 919 CB TYR A 364 11.932 34.715 16.008 1.00 0.00 C ATOM 920 CG TYR A 364 13.240 34.311 16.715 1.00 0.00 C ATOM 921 CD1 TYR A 364 13.359 33.065 17.349 1.00 0.00 C ATOM 922 CD2 TYR A 364 14.352 35.157 16.734 1.00 0.00 C ATOM 923 CE1 TYR A 364 14.537 32.688 17.972 1.00 0.00 C ATOM 924 CE2 TYR A 364 15.526 34.781 17.359 1.00 0.00 C ATOM 925 CZ TYR A 364 15.616 33.551 17.976 1.00 0.00 C ATOM 926 OH TYR A 364 16.791 33.181 18.600 1.00 0.00 O ATOM 0 H TYR A 364 12.630 35.342 13.331 1.00 0.00 H new ATOM 0 HA TYR A 364 11.820 32.923 14.838 1.00 0.00 H new ATOM 0 HB2 TYR A 364 11.934 35.792 15.842 1.00 0.00 H new ATOM 0 HB3 TYR A 364 11.089 34.494 16.663 1.00 0.00 H new ATOM 0 HD1 TYR A 364 12.517 32.388 17.351 1.00 0.00 H new ATOM 0 HD2 TYR A 364 14.293 36.122 16.252 1.00 0.00 H new ATOM 0 HE1 TYR A 364 14.612 31.724 18.453 1.00 0.00 H new ATOM 0 HE2 TYR A 364 16.373 35.451 17.364 1.00 0.00 H new ATOM 0 HH TYR A 364 17.450 33.901 18.510 1.00 0.00 H new ATOM 936 N CYS A 365 9.368 33.450 14.509 1.00 0.00 N ATOM 937 CA CYS A 365 7.965 33.568 14.095 1.00 0.00 C ATOM 938 C CYS A 365 7.261 34.652 14.939 1.00 0.00 C ATOM 939 O CYS A 365 7.624 34.828 16.100 1.00 0.00 O ATOM 940 CB CYS A 365 7.253 32.209 14.283 1.00 0.00 C ATOM 941 SG CYS A 365 7.015 31.710 16.035 1.00 0.00 S ATOM 0 H CYS A 365 9.541 32.678 15.153 1.00 0.00 H new ATOM 0 HA CYS A 365 7.922 33.853 13.044 1.00 0.00 H new ATOM 0 HB2 CYS A 365 6.279 32.253 13.795 1.00 0.00 H new ATOM 0 HB3 CYS A 365 7.830 31.437 13.774 1.00 0.00 H new ATOM 0 HG CYS A 365 8.019 32.130 16.746 1.00 0.00 H new ATOM 946 N PRO A 366 6.240 35.385 14.389 1.00 0.00 N ATOM 947 CA PRO A 366 5.419 36.353 15.177 1.00 0.00 C ATOM 948 C PRO A 366 4.726 35.697 16.399 1.00 0.00 C ATOM 949 O PRO A 366 4.482 36.357 17.398 1.00 0.00 O ATOM 950 CB PRO A 366 4.388 36.880 14.141 1.00 0.00 C ATOM 951 CG PRO A 366 4.408 35.870 13.034 1.00 0.00 C ATOM 952 CD PRO A 366 5.829 35.379 12.964 1.00 0.00 C ATOM 0 HA PRO A 366 6.026 37.145 15.616 1.00 0.00 H new ATOM 0 HB2 PRO A 366 3.394 36.966 14.580 1.00 0.00 H new ATOM 0 HB3 PRO A 366 4.663 37.870 13.778 1.00 0.00 H new ATOM 0 HG2 PRO A 366 3.719 35.050 13.238 1.00 0.00 H new ATOM 0 HG3 PRO A 366 4.100 36.317 12.089 1.00 0.00 H new ATOM 0 HD2 PRO A 366 5.893 34.382 12.527 1.00 0.00 H new ATOM 0 HD3 PRO A 366 6.455 36.034 12.358 1.00 0.00 H new ATOM 960 N SER A 367 4.467 34.374 16.309 1.00 0.00 N ATOM 961 CA SER A 367 3.869 33.579 17.408 1.00 0.00 C ATOM 962 C SER A 367 4.789 33.539 18.665 1.00 0.00 C ATOM 963 O SER A 367 4.332 33.204 19.762 1.00 0.00 O ATOM 964 CB SER A 367 3.553 32.152 16.897 1.00 0.00 C ATOM 965 OG SER A 367 2.905 31.367 17.883 1.00 0.00 O ATOM 0 H SER A 367 4.666 33.825 15.472 1.00 0.00 H new ATOM 0 HA SER A 367 2.942 34.061 17.719 1.00 0.00 H new ATOM 0 HB2 SER A 367 2.921 32.216 16.011 1.00 0.00 H new ATOM 0 HB3 SER A 367 4.478 31.662 16.594 1.00 0.00 H new ATOM 0 HG SER A 367 2.721 30.475 17.522 1.00 0.00 H new ATOM 971 N CYS A 368 6.088 33.874 18.474 1.00 0.00 N ATOM 972 CA CYS A 368 7.057 34.075 19.572 1.00 0.00 C ATOM 973 C CYS A 368 6.757 35.387 20.338 1.00 0.00 C ATOM 974 O CYS A 368 6.624 35.379 21.568 1.00 0.00 O ATOM 975 CB CYS A 368 8.518 34.087 19.025 1.00 0.00 C ATOM 976 SG CYS A 368 9.334 32.474 18.979 1.00 0.00 S ATOM 0 H CYS A 368 6.492 34.012 17.548 1.00 0.00 H new ATOM 0 HA CYS A 368 6.956 33.241 20.267 1.00 0.00 H new ATOM 0 HB2 CYS A 368 8.508 34.501 18.017 1.00 0.00 H new ATOM 0 HB3 CYS A 368 9.114 34.761 19.640 1.00 0.00 H new ATOM 0 HG CYS A 368 9.131 31.853 20.103 1.00 0.00 H new