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 -90:sc= -1.74! USER MOD Set 1.2: A 341 CYS SG : rot 59:sc= 1.24 USER MOD Set 1.3: A 365 CYS SG : rot -31:sc= -2.13! USER MOD Set 1.4: A 368 CYS SG : rot -121:sc= 0.65 USER MOD Set 2.1: A 323 CYS SG : rot -162:sc= 0.267 USER MOD Set 2.2: A 326 CYS SG : rot -63:sc= 0.269 USER MOD Set 2.3: A 346 HIS : no HD1:sc= 0.739 K(o=-1.9,f=-6.3!) USER MOD Set 2.4: A 348 TYR OH : rot 180:sc= 0 USER MOD Set 2.5: A 349 CYS SG : rot -150:sc= -3.12! USER MOD Single : A 324 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 334 LYS NZ :NH3+ -143:sc= -1.03 (180deg=-3.1!) USER MOD Single : A 335 GLN : amide:sc= -1.97 K(o=-2,f=-3.7!) USER MOD Single : A 343 MET CE :methyl 150:sc= -0.0418 (180deg=-0.631) USER MOD Single : A 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 355 THR OG1 : rot 180:sc= 0 USER MOD Single : A 356 SER OG : rot 180:sc= 0 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 6.281 19.624 9.574 1.00 0.00 N ATOM 286 CA ALA A 322 5.482 20.467 8.673 1.00 0.00 C ATOM 287 C ALA A 322 5.325 21.869 9.276 1.00 0.00 C ATOM 288 O ALA A 322 5.803 22.152 10.386 1.00 0.00 O ATOM 289 CB ALA A 322 4.093 19.822 8.456 1.00 0.00 C ATOM 0 HA ALA A 322 5.989 20.552 7.712 1.00 0.00 H new ATOM 0 HB1 ALA A 322 3.502 20.448 7.788 1.00 0.00 H new ATOM 0 HB2 ALA A 322 4.216 18.834 8.013 1.00 0.00 H new ATOM 0 HB3 ALA A 322 3.581 19.729 9.414 1.00 0.00 H new ATOM 295 N CYS A 323 4.652 22.748 8.527 1.00 0.00 N ATOM 296 CA CYS A 323 4.137 24.010 9.060 1.00 0.00 C ATOM 297 C CYS A 323 2.849 23.720 9.831 1.00 0.00 C ATOM 298 O CYS A 323 1.770 23.616 9.240 1.00 0.00 O ATOM 299 CB CYS A 323 3.919 25.033 7.930 1.00 0.00 C ATOM 300 SG CYS A 323 2.887 26.465 8.372 1.00 0.00 S ATOM 0 H CYS A 323 4.450 22.604 7.538 1.00 0.00 H new ATOM 0 HA CYS A 323 4.862 24.455 9.741 1.00 0.00 H new ATOM 0 HB2 CYS A 323 4.891 25.395 7.596 1.00 0.00 H new ATOM 0 HB3 CYS A 323 3.461 24.523 7.083 1.00 0.00 H new ATOM 0 HG CYS A 323 2.452 27.037 7.289 1.00 0.00 H new ATOM 305 N HIS A 324 2.993 23.593 11.168 1.00 0.00 N ATOM 306 CA HIS A 324 1.961 23.034 12.071 1.00 0.00 C ATOM 307 C HIS A 324 0.704 23.932 12.136 1.00 0.00 C ATOM 308 O HIS A 324 -0.385 23.464 12.490 1.00 0.00 O ATOM 309 CB HIS A 324 2.575 22.823 13.484 1.00 0.00 C ATOM 310 CG HIS A 324 1.665 22.124 14.467 1.00 0.00 C ATOM 311 ND1 HIS A 324 1.004 22.762 15.490 1.00 0.00 N ATOM 312 CD2 HIS A 324 1.298 20.817 14.546 1.00 0.00 C ATOM 313 CE1 HIS A 324 0.271 21.857 16.143 1.00 0.00 C ATOM 314 NE2 HIS A 324 0.408 20.659 15.610 1.00 0.00 N ATOM 0 H HIS A 324 3.841 23.880 11.658 1.00 0.00 H new ATOM 0 HA HIS A 324 1.635 22.073 11.673 1.00 0.00 H new ATOM 0 HB2 HIS A 324 3.493 22.244 13.384 1.00 0.00 H new ATOM 0 HB3 HIS A 324 2.853 23.794 13.894 1.00 0.00 H new ATOM 0 HD2 HIS A 324 1.640 20.029 13.892 1.00 0.00 H new ATOM 0 HE1 HIS A 324 -0.353 22.078 16.997 1.00 0.00 H new ATOM 0 HE2 HIS A 324 -0.043 19.795 15.912 1.00 0.00 H new ATOM 322 N VAL A 325 0.886 25.217 11.760 1.00 0.00 N ATOM 323 CA VAL A 325 -0.193 26.222 11.687 1.00 0.00 C ATOM 324 C VAL A 325 -1.367 25.708 10.826 1.00 0.00 C ATOM 325 O VAL A 325 -2.533 25.772 11.225 1.00 0.00 O ATOM 326 CB VAL A 325 0.338 27.576 11.084 1.00 0.00 C ATOM 327 CG1 VAL A 325 -0.747 28.686 11.099 1.00 0.00 C ATOM 328 CG2 VAL A 325 1.620 28.044 11.810 1.00 0.00 C ATOM 0 H VAL A 325 1.799 25.588 11.496 1.00 0.00 H new ATOM 0 HA VAL A 325 -0.544 26.397 12.704 1.00 0.00 H new ATOM 0 HB VAL A 325 0.588 27.385 10.040 1.00 0.00 H new ATOM 0 HG11 VAL A 325 -0.336 29.602 10.674 1.00 0.00 H new ATOM 0 HG12 VAL A 325 -1.605 28.364 10.508 1.00 0.00 H new ATOM 0 HG13 VAL A 325 -1.063 28.872 12.125 1.00 0.00 H new ATOM 0 HG21 VAL A 325 1.964 28.981 11.373 1.00 0.00 H new ATOM 0 HG22 VAL A 325 1.405 28.195 12.868 1.00 0.00 H new ATOM 0 HG23 VAL A 325 2.396 27.287 11.702 1.00 0.00 H new ATOM 338 N CYS A 326 -1.015 25.169 9.651 1.00 0.00 N ATOM 339 CA CYS A 326 -1.983 24.643 8.668 1.00 0.00 C ATOM 340 C CYS A 326 -1.759 23.126 8.433 1.00 0.00 C ATOM 341 O CYS A 326 -2.465 22.502 7.632 1.00 0.00 O ATOM 342 CB CYS A 326 -1.834 25.438 7.352 1.00 0.00 C ATOM 343 SG CYS A 326 -0.216 25.226 6.539 1.00 0.00 S ATOM 0 H CYS A 326 -0.044 25.083 9.350 1.00 0.00 H new ATOM 0 HA CYS A 326 -2.997 24.764 9.050 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -2.619 25.130 6.662 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -1.989 26.497 7.559 1.00 0.00 H new ATOM 0 HG CYS A 326 0.722 25.685 7.313 1.00 0.00 H new ATOM 348 N GLY A 327 -0.777 22.549 9.168 1.00 0.00 N ATOM 349 CA GLY A 327 -0.407 21.129 9.059 1.00 0.00 C ATOM 350 C GLY A 327 0.149 20.725 7.687 1.00 0.00 C ATOM 351 O GLY A 327 0.001 19.570 7.271 1.00 0.00 O ATOM 0 H GLY A 327 -0.222 23.062 9.853 1.00 0.00 H new ATOM 0 HA2 GLY A 327 0.337 20.900 9.821 1.00 0.00 H new ATOM 0 HA3 GLY A 327 -1.284 20.519 9.277 1.00 0.00 H new ATOM 355 N GLY A 328 0.817 21.669 6.993 1.00 0.00 N ATOM 356 CA GLY A 328 1.234 21.468 5.596 1.00 0.00 C ATOM 357 C GLY A 328 2.737 21.596 5.369 1.00 0.00 C ATOM 358 O GLY A 328 3.352 22.545 5.854 1.00 0.00 O ATOM 0 H GLY A 328 1.078 22.576 7.380 1.00 0.00 H new ATOM 0 HA2 GLY A 328 0.911 20.479 5.271 1.00 0.00 H new ATOM 0 HA3 GLY A 328 0.719 22.194 4.967 1.00 0.00 H new ATOM 362 N ARG A 329 3.318 20.635 4.609 1.00 0.00 N ATOM 363 CA ARG A 329 4.737 20.677 4.148 1.00 0.00 C ATOM 364 C ARG A 329 4.842 21.362 2.764 1.00 0.00 C ATOM 365 O ARG A 329 5.901 21.322 2.119 1.00 0.00 O ATOM 366 CB ARG A 329 5.332 19.246 4.042 1.00 0.00 C ATOM 367 CG ARG A 329 5.327 18.424 5.346 1.00 0.00 C ATOM 368 CD ARG A 329 5.994 17.051 5.165 1.00 0.00 C ATOM 369 NE ARG A 329 5.373 16.278 4.073 1.00 0.00 N ATOM 370 CZ ARG A 329 5.965 15.303 3.360 1.00 0.00 C ATOM 371 NH1 ARG A 329 7.207 14.918 3.621 1.00 0.00 N ATOM 372 NH2 ARG A 329 5.293 14.721 2.380 1.00 0.00 N ATOM 0 H ARG A 329 2.817 19.804 4.295 1.00 0.00 H new ATOM 0 HA ARG A 329 5.301 21.249 4.885 1.00 0.00 H new ATOM 0 HB2 ARG A 329 4.774 18.695 3.284 1.00 0.00 H new ATOM 0 HB3 ARG A 329 6.360 19.325 3.687 1.00 0.00 H new ATOM 0 HG2 ARG A 329 5.847 18.979 6.126 1.00 0.00 H new ATOM 0 HG3 ARG A 329 4.300 18.286 5.684 1.00 0.00 H new ATOM 0 HD2 ARG A 329 7.055 17.188 4.956 1.00 0.00 H new ATOM 0 HD3 ARG A 329 5.923 16.487 6.095 1.00 0.00 H new ATOM 0 HE ARG A 329 4.407 16.503 3.837 1.00 0.00 H new ATOM 0 HH11 ARG A 329 7.731 15.363 4.374 1.00 0.00 H new ATOM 0 HH12 ARG A 329 7.638 14.177 3.069 1.00 0.00 H new ATOM 0 HH21 ARG A 329 4.338 15.013 2.173 1.00 0.00 H new ATOM 0 HH22 ARG A 329 5.730 13.980 1.832 1.00 0.00 H new ATOM 386 N GLU A 330 3.740 21.992 2.333 1.00 0.00 N ATOM 387 CA GLU A 330 3.622 22.635 1.017 1.00 0.00 C ATOM 388 C GLU A 330 4.604 23.812 0.887 1.00 0.00 C ATOM 389 O GLU A 330 4.721 24.611 1.816 1.00 0.00 O ATOM 390 CB GLU A 330 2.160 23.111 0.817 1.00 0.00 C ATOM 391 CG GLU A 330 1.120 21.979 0.957 1.00 0.00 C ATOM 392 CD GLU A 330 -0.336 22.448 0.805 1.00 0.00 C ATOM 393 OE1 GLU A 330 -1.006 22.699 1.831 1.00 0.00 O ATOM 394 OE2 GLU A 330 -0.817 22.570 -0.339 1.00 0.00 O ATOM 0 H GLU A 330 2.894 22.070 2.897 1.00 0.00 H new ATOM 0 HA GLU A 330 3.877 21.913 0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 330 1.937 23.891 1.545 1.00 0.00 H new ATOM 0 HB3 GLU A 330 2.065 23.561 -0.171 1.00 0.00 H new ATOM 0 HG2 GLU A 330 1.326 21.215 0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 330 1.240 21.508 1.933 1.00 0.00 H new ATOM 401 N ALA A 331 5.311 23.879 -0.261 1.00 0.00 N ATOM 402 CA ALA A 331 6.302 24.931 -0.568 1.00 0.00 C ATOM 403 C ALA A 331 7.356 25.086 0.569 1.00 0.00 C ATOM 404 O ALA A 331 7.237 25.983 1.414 1.00 0.00 O ATOM 405 CB ALA A 331 5.599 26.258 -0.902 1.00 0.00 C ATOM 0 H ALA A 331 5.208 23.195 -1.010 1.00 0.00 H new ATOM 0 HA ALA A 331 6.857 24.623 -1.454 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.346 27.020 -1.125 1.00 0.00 H new ATOM 0 HB2 ALA A 331 4.953 26.119 -1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 331 4.999 26.577 -0.049 1.00 0.00 H new ATOM 411 N PRO A 332 8.391 24.180 0.606 1.00 0.00 N ATOM 412 CA PRO A 332 9.396 24.115 1.704 1.00 0.00 C ATOM 413 C PRO A 332 10.198 25.415 1.873 1.00 0.00 C ATOM 414 O PRO A 332 10.472 25.851 2.995 1.00 0.00 O ATOM 415 CB PRO A 332 10.324 22.937 1.295 1.00 0.00 C ATOM 416 CG PRO A 332 9.529 22.148 0.302 1.00 0.00 C ATOM 417 CD PRO A 332 8.656 23.143 -0.421 1.00 0.00 C ATOM 0 HA PRO A 332 8.913 23.972 2.671 1.00 0.00 H new ATOM 0 HB2 PRO A 332 11.254 23.300 0.858 1.00 0.00 H new ATOM 0 HB3 PRO A 332 10.594 22.328 2.158 1.00 0.00 H new ATOM 0 HG2 PRO A 332 10.184 21.626 -0.395 1.00 0.00 H new ATOM 0 HG3 PRO A 332 8.925 21.390 0.801 1.00 0.00 H new ATOM 0 HD2 PRO A 332 9.160 23.561 -1.293 1.00 0.00 H new ATOM 0 HD3 PRO A 332 7.733 22.684 -0.776 1.00 0.00 H new ATOM 425 N GLU A 333 10.567 26.014 0.732 1.00 0.00 N ATOM 426 CA GLU A 333 11.341 27.276 0.691 1.00 0.00 C ATOM 427 C GLU A 333 10.494 28.494 1.147 1.00 0.00 C ATOM 428 O GLU A 333 11.047 29.487 1.647 1.00 0.00 O ATOM 429 CB GLU A 333 11.965 27.527 -0.726 1.00 0.00 C ATOM 430 CG GLU A 333 10.981 27.856 -1.883 1.00 0.00 C ATOM 431 CD GLU A 333 10.005 26.718 -2.218 1.00 0.00 C ATOM 432 OE1 GLU A 333 8.835 26.790 -1.805 1.00 0.00 O ATOM 433 OE2 GLU A 333 10.415 25.733 -2.871 1.00 0.00 O ATOM 0 H GLU A 333 10.341 25.643 -0.191 1.00 0.00 H new ATOM 0 HA GLU A 333 12.160 27.163 1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 333 12.676 28.349 -0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 333 12.534 26.641 -1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 333 10.409 28.745 -1.617 1.00 0.00 H new ATOM 0 HG3 GLU A 333 11.556 28.102 -2.776 1.00 0.00 H new ATOM 440 N LYS A 334 9.158 28.423 0.964 1.00 0.00 N ATOM 441 CA LYS A 334 8.223 29.478 1.439 1.00 0.00 C ATOM 442 C LYS A 334 7.760 29.205 2.891 1.00 0.00 C ATOM 443 O LYS A 334 6.915 29.931 3.430 1.00 0.00 O ATOM 444 CB LYS A 334 7.009 29.600 0.483 1.00 0.00 C ATOM 445 CG LYS A 334 7.398 29.861 -0.993 1.00 0.00 C ATOM 446 CD LYS A 334 6.195 29.937 -1.973 1.00 0.00 C ATOM 447 CE LYS A 334 5.358 31.231 -1.849 1.00 0.00 C ATOM 448 NZ LYS A 334 4.653 31.358 -0.546 1.00 0.00 N ATOM 0 H LYS A 334 8.697 27.646 0.490 1.00 0.00 H new ATOM 0 HA LYS A 334 8.757 30.428 1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 334 6.422 28.683 0.537 1.00 0.00 H new ATOM 0 HB3 LYS A 334 6.367 30.410 0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 334 7.955 30.796 -1.049 1.00 0.00 H new ATOM 0 HG3 LYS A 334 8.070 29.069 -1.324 1.00 0.00 H new ATOM 0 HD2 LYS A 334 6.567 29.855 -2.994 1.00 0.00 H new ATOM 0 HD3 LYS A 334 5.545 29.079 -1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 334 6.012 32.092 -1.985 1.00 0.00 H new ATOM 0 HE3 LYS A 334 4.624 31.258 -2.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 3.720 31.792 -0.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 4.532 30.415 -0.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 5.213 31.955 0.095 1.00 0.00 H new ATOM 462 N GLN A 335 8.301 28.131 3.494 1.00 0.00 N ATOM 463 CA GLN A 335 8.196 27.857 4.936 1.00 0.00 C ATOM 464 C GLN A 335 9.519 28.253 5.614 1.00 0.00 C ATOM 465 O GLN A 335 10.607 27.951 5.112 1.00 0.00 O ATOM 466 CB GLN A 335 7.894 26.363 5.205 1.00 0.00 C ATOM 467 CG GLN A 335 6.524 25.877 4.705 1.00 0.00 C ATOM 468 CD GLN A 335 6.383 24.361 4.810 1.00 0.00 C ATOM 469 OE1 GLN A 335 5.940 23.827 5.824 1.00 0.00 O ATOM 470 NE2 GLN A 335 6.772 23.668 3.758 1.00 0.00 N ATOM 0 H GLN A 335 8.829 27.421 2.986 1.00 0.00 H new ATOM 0 HA GLN A 335 7.372 28.441 5.345 1.00 0.00 H new ATOM 0 HB2 GLN A 335 8.671 25.760 4.734 1.00 0.00 H new ATOM 0 HB3 GLN A 335 7.957 26.182 6.278 1.00 0.00 H new ATOM 0 HG2 GLN A 335 5.735 26.356 5.286 1.00 0.00 H new ATOM 0 HG3 GLN A 335 6.387 26.183 3.668 1.00 0.00 H new ATOM 0 HE21 GLN A 335 7.134 24.150 2.935 1.00 0.00 H new ATOM 0 HE22 GLN A 335 6.711 22.650 3.767 1.00 0.00 H new ATOM 479 N LEU A 336 9.401 28.941 6.747 1.00 0.00 N ATOM 480 CA LEU A 336 10.521 29.357 7.589 1.00 0.00 C ATOM 481 C LEU A 336 10.428 28.641 8.943 1.00 0.00 C ATOM 482 O LEU A 336 9.388 28.698 9.610 1.00 0.00 O ATOM 483 CB LEU A 336 10.484 30.895 7.768 1.00 0.00 C ATOM 484 CG LEU A 336 10.774 31.731 6.485 1.00 0.00 C ATOM 485 CD1 LEU A 336 10.551 33.240 6.724 1.00 0.00 C ATOM 486 CD2 LEU A 336 12.201 31.456 5.976 1.00 0.00 C ATOM 0 H LEU A 336 8.496 29.234 7.116 1.00 0.00 H new ATOM 0 HA LEU A 336 11.467 29.088 7.120 1.00 0.00 H new ATOM 0 HB2 LEU A 336 9.501 31.175 8.147 1.00 0.00 H new ATOM 0 HB3 LEU A 336 11.211 31.171 8.532 1.00 0.00 H new ATOM 0 HG LEU A 336 10.066 31.420 5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 336 10.763 33.789 5.807 1.00 0.00 H new ATOM 0 HD12 LEU A 336 9.516 33.413 7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 336 11.216 33.585 7.516 1.00 0.00 H new ATOM 0 HD21 LEU A 336 12.388 32.047 5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 336 12.921 31.729 6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 336 12.305 30.397 5.740 1.00 0.00 H new ATOM 498 N LEU A 337 11.524 27.995 9.344 1.00 0.00 N ATOM 499 CA LEU A 337 11.620 27.259 10.614 1.00 0.00 C ATOM 500 C LEU A 337 12.053 28.221 11.720 1.00 0.00 C ATOM 501 O LEU A 337 13.159 28.771 11.668 1.00 0.00 O ATOM 502 CB LEU A 337 12.644 26.084 10.477 1.00 0.00 C ATOM 503 CG LEU A 337 12.112 24.788 9.769 1.00 0.00 C ATOM 504 CD1 LEU A 337 13.261 23.917 9.216 1.00 0.00 C ATOM 505 CD2 LEU A 337 11.223 23.958 10.734 1.00 0.00 C ATOM 0 H LEU A 337 12.382 27.965 8.793 1.00 0.00 H new ATOM 0 HA LEU A 337 10.648 26.837 10.867 1.00 0.00 H new ATOM 0 HB2 LEU A 337 13.511 26.446 9.925 1.00 0.00 H new ATOM 0 HB3 LEU A 337 12.992 25.813 11.474 1.00 0.00 H new ATOM 0 HG LEU A 337 11.507 25.112 8.922 1.00 0.00 H new ATOM 0 HD11 LEU A 337 12.847 23.031 8.735 1.00 0.00 H new ATOM 0 HD12 LEU A 337 13.835 24.491 8.488 1.00 0.00 H new ATOM 0 HD13 LEU A 337 13.914 23.613 10.034 1.00 0.00 H new ATOM 0 HD21 LEU A 337 10.866 23.065 10.222 1.00 0.00 H new ATOM 0 HD22 LEU A 337 11.807 23.667 11.607 1.00 0.00 H new ATOM 0 HD23 LEU A 337 10.371 24.559 11.052 1.00 0.00 H new ATOM 517 N CYS A 338 11.149 28.476 12.693 1.00 0.00 N ATOM 518 CA CYS A 338 11.512 29.194 13.924 1.00 0.00 C ATOM 519 C CYS A 338 12.484 28.326 14.707 1.00 0.00 C ATOM 520 O CYS A 338 12.079 27.283 15.223 1.00 0.00 O ATOM 521 CB CYS A 338 10.289 29.516 14.790 1.00 0.00 C ATOM 522 SG CYS A 338 10.718 30.475 16.280 1.00 0.00 S ATOM 0 H CYS A 338 10.170 28.195 12.645 1.00 0.00 H new ATOM 0 HA CYS A 338 11.967 30.146 13.651 1.00 0.00 H new ATOM 0 HB2 CYS A 338 9.566 30.077 14.197 1.00 0.00 H new ATOM 0 HB3 CYS A 338 9.804 28.586 15.088 1.00 0.00 H new ATOM 0 HG CYS A 338 10.977 29.661 17.260 1.00 0.00 H new ATOM 527 N ASP A 339 13.749 28.767 14.763 1.00 0.00 N ATOM 528 CA ASP A 339 14.890 27.932 15.185 1.00 0.00 C ATOM 529 C ASP A 339 14.651 27.228 16.537 1.00 0.00 C ATOM 530 O ASP A 339 14.747 25.998 16.618 1.00 0.00 O ATOM 531 CB ASP A 339 16.176 28.791 15.249 1.00 0.00 C ATOM 532 CG ASP A 339 17.453 27.962 15.522 1.00 0.00 C ATOM 533 OD1 ASP A 339 18.072 27.473 14.554 1.00 0.00 O ATOM 534 OD2 ASP A 339 17.826 27.776 16.708 1.00 0.00 O ATOM 0 H ASP A 339 14.014 29.720 14.515 1.00 0.00 H new ATOM 0 HA ASP A 339 15.005 27.146 14.438 1.00 0.00 H new ATOM 0 HB2 ASP A 339 16.294 29.327 14.307 1.00 0.00 H new ATOM 0 HB3 ASP A 339 16.064 29.542 16.031 1.00 0.00 H new ATOM 539 N GLU A 340 14.285 28.008 17.576 1.00 0.00 N ATOM 540 CA GLU A 340 14.203 27.485 18.951 1.00 0.00 C ATOM 541 C GLU A 340 12.927 26.623 19.162 1.00 0.00 C ATOM 542 O GLU A 340 12.965 25.627 19.896 1.00 0.00 O ATOM 543 CB GLU A 340 14.344 28.644 20.007 1.00 0.00 C ATOM 544 CG GLU A 340 13.044 29.208 20.632 1.00 0.00 C ATOM 545 CD GLU A 340 12.349 30.286 19.800 1.00 0.00 C ATOM 546 OE1 GLU A 340 11.627 29.938 18.840 1.00 0.00 O ATOM 547 OE2 GLU A 340 12.503 31.485 20.115 1.00 0.00 O ATOM 0 H GLU A 340 14.044 28.995 17.487 1.00 0.00 H new ATOM 0 HA GLU A 340 15.048 26.814 19.109 1.00 0.00 H new ATOM 0 HB2 GLU A 340 14.978 28.284 20.818 1.00 0.00 H new ATOM 0 HB3 GLU A 340 14.873 29.469 19.531 1.00 0.00 H new ATOM 0 HG2 GLU A 340 12.347 28.385 20.791 1.00 0.00 H new ATOM 0 HG3 GLU A 340 13.278 29.621 21.613 1.00 0.00 H new ATOM 554 N CYS A 341 11.810 27.006 18.507 1.00 0.00 N ATOM 555 CA CYS A 341 10.534 26.236 18.564 1.00 0.00 C ATOM 556 C CYS A 341 10.601 24.963 17.687 1.00 0.00 C ATOM 557 O CYS A 341 9.835 24.017 17.908 1.00 0.00 O ATOM 558 CB CYS A 341 9.340 27.096 18.093 1.00 0.00 C ATOM 559 SG CYS A 341 8.959 28.558 19.100 1.00 0.00 S ATOM 0 H CYS A 341 11.759 27.845 17.929 1.00 0.00 H new ATOM 0 HA CYS A 341 10.390 25.950 19.606 1.00 0.00 H new ATOM 0 HB2 CYS A 341 9.536 27.425 17.072 1.00 0.00 H new ATOM 0 HB3 CYS A 341 8.454 26.463 18.059 1.00 0.00 H new ATOM 0 HG CYS A 341 9.998 29.338 19.143 1.00 0.00 H new ATOM 564 N ASP A 342 11.497 24.995 16.674 1.00 0.00 N ATOM 565 CA ASP A 342 11.689 23.922 15.661 1.00 0.00 C ATOM 566 C ASP A 342 10.445 23.746 14.735 1.00 0.00 C ATOM 567 O ASP A 342 10.347 22.777 13.976 1.00 0.00 O ATOM 568 CB ASP A 342 12.108 22.587 16.368 1.00 0.00 C ATOM 569 CG ASP A 342 12.543 21.458 15.411 1.00 0.00 C ATOM 570 OD1 ASP A 342 11.836 20.427 15.317 1.00 0.00 O ATOM 571 OD2 ASP A 342 13.599 21.598 14.760 1.00 0.00 O ATOM 0 H ASP A 342 12.124 25.786 16.531 1.00 0.00 H new ATOM 0 HA ASP A 342 12.500 24.222 14.998 1.00 0.00 H new ATOM 0 HB2 ASP A 342 12.927 22.798 17.055 1.00 0.00 H new ATOM 0 HB3 ASP A 342 11.271 22.232 16.969 1.00 0.00 H new ATOM 576 N MET A 343 9.522 24.732 14.742 1.00 0.00 N ATOM 577 CA MET A 343 8.267 24.669 13.951 1.00 0.00 C ATOM 578 C MET A 343 8.367 25.551 12.712 1.00 0.00 C ATOM 579 O MET A 343 8.831 26.697 12.789 1.00 0.00 O ATOM 580 CB MET A 343 7.043 25.108 14.800 1.00 0.00 C ATOM 581 CG MET A 343 6.656 24.159 15.937 1.00 0.00 C ATOM 582 SD MET A 343 6.153 22.516 15.357 1.00 0.00 S ATOM 583 CE MET A 343 7.617 21.518 15.654 1.00 0.00 C ATOM 0 H MET A 343 9.621 25.587 15.289 1.00 0.00 H new ATOM 0 HA MET A 343 8.126 23.632 13.645 1.00 0.00 H new ATOM 0 HB2 MET A 343 7.251 26.090 15.225 1.00 0.00 H new ATOM 0 HB3 MET A 343 6.185 25.222 14.137 1.00 0.00 H new ATOM 0 HG2 MET A 343 7.501 24.054 16.617 1.00 0.00 H new ATOM 0 HG3 MET A 343 5.840 24.601 16.508 1.00 0.00 H new ATOM 0 HE1 MET A 343 7.321 20.489 15.859 1.00 0.00 H new ATOM 0 HE2 MET A 343 8.259 21.542 14.773 1.00 0.00 H new ATOM 0 HE3 MET A 343 8.161 21.916 16.511 1.00 0.00 H new ATOM 593 N ALA A 344 7.900 25.008 11.581 1.00 0.00 N ATOM 594 CA ALA A 344 7.849 25.728 10.301 1.00 0.00 C ATOM 595 C ALA A 344 6.565 26.567 10.234 1.00 0.00 C ATOM 596 O ALA A 344 5.522 26.185 10.782 1.00 0.00 O ATOM 597 CB ALA A 344 7.939 24.749 9.112 1.00 0.00 C ATOM 0 H ALA A 344 7.545 24.053 11.527 1.00 0.00 H new ATOM 0 HA ALA A 344 8.708 26.396 10.235 1.00 0.00 H new ATOM 0 HB1 ALA A 344 7.899 25.308 8.177 1.00 0.00 H new ATOM 0 HB2 ALA A 344 8.878 24.197 9.165 1.00 0.00 H new ATOM 0 HB3 ALA A 344 7.104 24.049 9.153 1.00 0.00 H new ATOM 603 N PHE A 345 6.670 27.730 9.600 1.00 0.00 N ATOM 604 CA PHE A 345 5.559 28.667 9.375 1.00 0.00 C ATOM 605 C PHE A 345 5.656 29.142 7.925 1.00 0.00 C ATOM 606 O PHE A 345 6.713 29.621 7.527 1.00 0.00 O ATOM 607 CB PHE A 345 5.653 29.911 10.324 1.00 0.00 C ATOM 608 CG PHE A 345 5.114 29.748 11.750 1.00 0.00 C ATOM 609 CD1 PHE A 345 5.566 28.738 12.590 1.00 0.00 C ATOM 610 CD2 PHE A 345 4.155 30.636 12.259 1.00 0.00 C ATOM 611 CE1 PHE A 345 5.080 28.604 13.869 1.00 0.00 C ATOM 612 CE2 PHE A 345 3.671 30.502 13.547 1.00 0.00 C ATOM 613 CZ PHE A 345 4.135 29.483 14.351 1.00 0.00 C ATOM 0 H PHE A 345 7.554 28.063 9.215 1.00 0.00 H new ATOM 0 HA PHE A 345 4.614 28.164 9.579 1.00 0.00 H new ATOM 0 HB2 PHE A 345 6.700 30.206 10.391 1.00 0.00 H new ATOM 0 HB3 PHE A 345 5.118 30.736 9.853 1.00 0.00 H new ATOM 0 HD1 PHE A 345 6.313 28.045 12.232 1.00 0.00 H new ATOM 0 HD2 PHE A 345 3.789 31.437 11.635 1.00 0.00 H new ATOM 0 HE1 PHE A 345 5.441 27.805 14.500 1.00 0.00 H new ATOM 0 HE2 PHE A 345 2.931 31.194 13.922 1.00 0.00 H new ATOM 0 HZ PHE A 345 3.758 29.374 15.357 1.00 0.00 H new ATOM 623 N HIS A 346 4.574 29.008 7.135 1.00 0.00 N ATOM 624 CA HIS A 346 4.496 29.682 5.813 1.00 0.00 C ATOM 625 C HIS A 346 4.633 31.196 5.997 1.00 0.00 C ATOM 626 O HIS A 346 4.270 31.734 7.050 1.00 0.00 O ATOM 627 CB HIS A 346 3.162 29.392 5.074 1.00 0.00 C ATOM 628 CG HIS A 346 3.089 28.060 4.387 1.00 0.00 C ATOM 629 ND1 HIS A 346 2.439 26.992 4.946 1.00 0.00 N ATOM 630 CD2 HIS A 346 3.556 27.701 3.167 1.00 0.00 C ATOM 631 CE1 HIS A 346 2.516 26.017 4.061 1.00 0.00 C ATOM 632 NE2 HIS A 346 3.178 26.404 2.968 1.00 0.00 N ATOM 0 H HIS A 346 3.754 28.452 7.377 1.00 0.00 H new ATOM 0 HA HIS A 346 5.311 29.286 5.207 1.00 0.00 H new ATOM 0 HB2 HIS A 346 2.345 29.457 5.793 1.00 0.00 H new ATOM 0 HB3 HIS A 346 2.998 30.175 4.333 1.00 0.00 H new ATOM 0 HD2 HIS A 346 4.118 28.321 2.484 1.00 0.00 H new ATOM 0 HE1 HIS A 346 2.097 25.032 4.202 1.00 0.00 H new ATOM 0 HE2 HIS A 346 3.366 25.838 2.141 1.00 0.00 H new ATOM 640 N LEU A 347 5.125 31.855 4.951 1.00 0.00 N ATOM 641 CA LEU A 347 5.228 33.315 4.877 1.00 0.00 C ATOM 642 C LEU A 347 3.866 33.990 5.171 1.00 0.00 C ATOM 643 O LEU A 347 3.791 34.960 5.923 1.00 0.00 O ATOM 644 CB LEU A 347 5.775 33.684 3.473 1.00 0.00 C ATOM 645 CG LEU A 347 7.262 33.281 3.224 1.00 0.00 C ATOM 646 CD1 LEU A 347 7.675 33.487 1.754 1.00 0.00 C ATOM 647 CD2 LEU A 347 8.199 34.037 4.187 1.00 0.00 C ATOM 0 H LEU A 347 5.470 31.384 4.115 1.00 0.00 H new ATOM 0 HA LEU A 347 5.913 33.685 5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 347 5.152 33.204 2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 347 5.676 34.760 3.331 1.00 0.00 H new ATOM 0 HG LEU A 347 7.355 32.215 3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 347 8.717 33.194 1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 347 7.044 32.875 1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 347 7.557 34.537 1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 347 9.231 33.742 3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 347 8.094 35.110 4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 347 7.936 33.794 5.216 1.00 0.00 H new ATOM 659 N TYR A 348 2.786 33.410 4.622 1.00 0.00 N ATOM 660 CA TYR A 348 1.405 33.905 4.816 1.00 0.00 C ATOM 661 C TYR A 348 0.722 33.275 6.059 1.00 0.00 C ATOM 662 O TYR A 348 -0.394 33.666 6.416 1.00 0.00 O ATOM 663 CB TYR A 348 0.569 33.685 3.527 1.00 0.00 C ATOM 664 CG TYR A 348 0.576 32.247 2.974 1.00 0.00 C ATOM 665 CD1 TYR A 348 1.609 31.801 2.141 1.00 0.00 C ATOM 666 CD2 TYR A 348 -0.443 31.339 3.274 1.00 0.00 C ATOM 667 CE1 TYR A 348 1.615 30.525 1.627 1.00 0.00 C ATOM 668 CE2 TYR A 348 -0.434 30.056 2.757 1.00 0.00 C ATOM 669 CZ TYR A 348 0.601 29.653 1.937 1.00 0.00 C ATOM 670 OH TYR A 348 0.618 28.372 1.420 1.00 0.00 O ATOM 0 H TYR A 348 2.842 32.582 4.029 1.00 0.00 H new ATOM 0 HA TYR A 348 1.460 34.976 5.011 1.00 0.00 H new ATOM 0 HB2 TYR A 348 -0.462 33.974 3.729 1.00 0.00 H new ATOM 0 HB3 TYR A 348 0.942 34.356 2.753 1.00 0.00 H new ATOM 0 HD1 TYR A 348 2.418 32.473 1.897 1.00 0.00 H new ATOM 0 HD2 TYR A 348 -1.252 31.644 3.921 1.00 0.00 H new ATOM 0 HE1 TYR A 348 2.419 30.209 0.979 1.00 0.00 H new ATOM 0 HE2 TYR A 348 -1.235 29.371 2.994 1.00 0.00 H new ATOM 0 HH TYR A 348 -0.169 27.881 1.736 1.00 0.00 H new ATOM 680 N CYS A 349 1.397 32.308 6.722 1.00 0.00 N ATOM 681 CA CYS A 349 0.936 31.750 8.031 1.00 0.00 C ATOM 682 C CYS A 349 1.529 32.553 9.219 1.00 0.00 C ATOM 683 O CYS A 349 1.404 32.142 10.380 1.00 0.00 O ATOM 684 CB CYS A 349 1.293 30.242 8.172 1.00 0.00 C ATOM 685 SG CYS A 349 0.375 29.115 7.064 1.00 0.00 S ATOM 0 H CYS A 349 2.263 31.893 6.379 1.00 0.00 H new ATOM 0 HA CYS A 349 -0.150 31.843 8.053 1.00 0.00 H new ATOM 0 HB2 CYS A 349 2.360 30.119 7.985 1.00 0.00 H new ATOM 0 HB3 CYS A 349 1.113 29.938 9.203 1.00 0.00 H new ATOM 0 HG CYS A 349 0.244 27.955 7.636 1.00 0.00 H new ATOM 690 N LEU A 350 2.172 33.697 8.909 1.00 0.00 N ATOM 691 CA LEU A 350 2.762 34.605 9.912 1.00 0.00 C ATOM 692 C LEU A 350 1.752 35.672 10.368 1.00 0.00 C ATOM 693 O LEU A 350 0.609 35.707 9.899 1.00 0.00 O ATOM 694 CB LEU A 350 4.047 35.260 9.329 1.00 0.00 C ATOM 695 CG LEU A 350 5.178 34.259 8.950 1.00 0.00 C ATOM 696 CD1 LEU A 350 6.384 34.963 8.305 1.00 0.00 C ATOM 697 CD2 LEU A 350 5.601 33.430 10.173 1.00 0.00 C ATOM 0 H LEU A 350 2.297 34.018 7.949 1.00 0.00 H new ATOM 0 HA LEU A 350 3.030 34.024 10.794 1.00 0.00 H new ATOM 0 HB2 LEU A 350 3.775 35.832 8.442 1.00 0.00 H new ATOM 0 HB3 LEU A 350 4.439 35.969 10.058 1.00 0.00 H new ATOM 0 HG LEU A 350 4.775 33.579 8.199 1.00 0.00 H new ATOM 0 HD11 LEU A 350 7.147 34.225 8.058 1.00 0.00 H new ATOM 0 HD12 LEU A 350 6.064 35.473 7.396 1.00 0.00 H new ATOM 0 HD13 LEU A 350 6.796 35.691 9.003 1.00 0.00 H new ATOM 0 HD21 LEU A 350 6.392 32.737 9.887 1.00 0.00 H new ATOM 0 HD22 LEU A 350 5.967 34.096 10.955 1.00 0.00 H new ATOM 0 HD23 LEU A 350 4.744 32.869 10.546 1.00 0.00 H new ATOM 709 N LYS A 351 2.210 36.559 11.268 1.00 0.00 N ATOM 710 CA LYS A 351 1.380 37.608 11.872 1.00 0.00 C ATOM 711 C LYS A 351 2.317 38.743 12.364 1.00 0.00 C ATOM 712 O LYS A 351 2.885 38.629 13.455 1.00 0.00 O ATOM 713 CB LYS A 351 0.506 37.012 13.026 1.00 0.00 C ATOM 714 CG LYS A 351 -0.534 37.978 13.636 1.00 0.00 C ATOM 715 CD LYS A 351 -1.493 38.602 12.588 1.00 0.00 C ATOM 716 CE LYS A 351 -2.267 37.561 11.752 1.00 0.00 C ATOM 717 NZ LYS A 351 -3.139 36.690 12.585 1.00 0.00 N ATOM 0 H LYS A 351 3.175 36.566 11.597 1.00 0.00 H new ATOM 0 HA LYS A 351 0.685 38.022 11.141 1.00 0.00 H new ATOM 0 HB2 LYS A 351 -0.017 36.134 12.646 1.00 0.00 H new ATOM 0 HB3 LYS A 351 1.169 36.669 13.821 1.00 0.00 H new ATOM 0 HG2 LYS A 351 -1.122 37.442 14.381 1.00 0.00 H new ATOM 0 HG3 LYS A 351 -0.011 38.778 14.159 1.00 0.00 H new ATOM 0 HD2 LYS A 351 -2.208 39.245 13.101 1.00 0.00 H new ATOM 0 HD3 LYS A 351 -0.917 39.238 11.916 1.00 0.00 H new ATOM 0 HE2 LYS A 351 -2.877 38.077 11.011 1.00 0.00 H new ATOM 0 HE3 LYS A 351 -1.558 36.941 11.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 -3.635 36.010 11.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 -2.557 36.175 13.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 -3.836 37.276 13.088 1.00 0.00 H new ATOM 731 N PRO A 352 2.553 39.842 11.556 1.00 0.00 N ATOM 732 CA PRO A 352 1.927 40.076 10.214 1.00 0.00 C ATOM 733 C PRO A 352 2.458 39.107 9.109 1.00 0.00 C ATOM 734 O PRO A 352 3.662 38.820 9.069 1.00 0.00 O ATOM 735 CB PRO A 352 2.314 41.549 9.902 1.00 0.00 C ATOM 736 CG PRO A 352 3.608 41.758 10.632 1.00 0.00 C ATOM 737 CD PRO A 352 3.478 40.962 11.917 1.00 0.00 C ATOM 0 HA PRO A 352 0.853 39.893 10.228 1.00 0.00 H new ATOM 0 HB2 PRO A 352 2.432 41.710 8.830 1.00 0.00 H new ATOM 0 HB3 PRO A 352 1.547 42.243 10.246 1.00 0.00 H new ATOM 0 HG2 PRO A 352 4.454 41.411 10.039 1.00 0.00 H new ATOM 0 HG3 PRO A 352 3.776 42.815 10.840 1.00 0.00 H new ATOM 0 HD2 PRO A 352 4.445 40.588 12.255 1.00 0.00 H new ATOM 0 HD3 PRO A 352 3.072 41.571 12.725 1.00 0.00 H new ATOM 745 N PRO A 353 1.551 38.550 8.234 1.00 0.00 N ATOM 746 CA PRO A 353 1.946 37.617 7.149 1.00 0.00 C ATOM 747 C PRO A 353 2.887 38.277 6.114 1.00 0.00 C ATOM 748 O PRO A 353 2.522 39.256 5.445 1.00 0.00 O ATOM 749 CB PRO A 353 0.592 37.186 6.524 1.00 0.00 C ATOM 750 CG PRO A 353 -0.356 38.290 6.877 1.00 0.00 C ATOM 751 CD PRO A 353 0.074 38.761 8.248 1.00 0.00 C ATOM 0 HA PRO A 353 2.523 36.770 7.520 1.00 0.00 H new ATOM 0 HB2 PRO A 353 0.675 37.065 5.444 1.00 0.00 H new ATOM 0 HB3 PRO A 353 0.256 36.231 6.927 1.00 0.00 H new ATOM 0 HG2 PRO A 353 -0.306 39.100 6.149 1.00 0.00 H new ATOM 0 HG3 PRO A 353 -1.387 37.935 6.888 1.00 0.00 H new ATOM 0 HD2 PRO A 353 -0.182 39.808 8.412 1.00 0.00 H new ATOM 0 HD3 PRO A 353 -0.407 38.187 9.040 1.00 0.00 H new ATOM 759 N LEU A 354 4.113 37.742 6.027 1.00 0.00 N ATOM 760 CA LEU A 354 5.133 38.201 5.076 1.00 0.00 C ATOM 761 C LEU A 354 4.828 37.677 3.663 1.00 0.00 C ATOM 762 O LEU A 354 4.280 36.583 3.497 1.00 0.00 O ATOM 763 CB LEU A 354 6.548 37.758 5.542 1.00 0.00 C ATOM 764 CG LEU A 354 7.036 38.366 6.903 1.00 0.00 C ATOM 765 CD1 LEU A 354 8.431 37.840 7.296 1.00 0.00 C ATOM 766 CD2 LEU A 354 7.013 39.909 6.877 1.00 0.00 C ATOM 0 H LEU A 354 4.426 36.973 6.619 1.00 0.00 H new ATOM 0 HA LEU A 354 5.113 39.290 5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 354 6.559 36.671 5.626 1.00 0.00 H new ATOM 0 HB3 LEU A 354 7.266 38.026 4.767 1.00 0.00 H new ATOM 0 HG LEU A 354 6.333 38.037 7.668 1.00 0.00 H new ATOM 0 HD11 LEU A 354 8.734 38.284 8.244 1.00 0.00 H new ATOM 0 HD12 LEU A 354 8.395 36.755 7.399 1.00 0.00 H new ATOM 0 HD13 LEU A 354 9.152 38.108 6.523 1.00 0.00 H new ATOM 0 HD21 LEU A 354 7.357 40.294 7.837 1.00 0.00 H new ATOM 0 HD22 LEU A 354 7.669 40.269 6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 354 5.996 40.255 6.691 1.00 0.00 H new ATOM 778 N THR A 355 5.158 38.480 2.648 1.00 0.00 N ATOM 779 CA THR A 355 5.008 38.084 1.234 1.00 0.00 C ATOM 780 C THR A 355 6.259 37.297 0.773 1.00 0.00 C ATOM 781 O THR A 355 6.191 36.459 -0.137 1.00 0.00 O ATOM 782 CB THR A 355 4.765 39.341 0.316 1.00 0.00 C ATOM 783 OG1 THR A 355 4.376 38.935 -1.004 1.00 0.00 O ATOM 784 CG2 THR A 355 5.999 40.257 0.212 1.00 0.00 C ATOM 0 H THR A 355 5.535 39.419 2.776 1.00 0.00 H new ATOM 0 HA THR A 355 4.134 37.439 1.144 1.00 0.00 H new ATOM 0 HB THR A 355 3.965 39.910 0.789 1.00 0.00 H new ATOM 0 HG1 THR A 355 4.228 39.728 -1.560 1.00 0.00 H new ATOM 0 HG21 THR A 355 5.769 41.105 -0.433 1.00 0.00 H new ATOM 0 HG22 THR A 355 6.268 40.619 1.204 1.00 0.00 H new ATOM 0 HG23 THR A 355 6.834 39.696 -0.209 1.00 0.00 H new ATOM 792 N SER A 356 7.388 37.555 1.466 1.00 0.00 N ATOM 793 CA SER A 356 8.716 37.051 1.095 1.00 0.00 C ATOM 794 C SER A 356 9.564 36.819 2.363 1.00 0.00 C ATOM 795 O SER A 356 9.273 37.389 3.425 1.00 0.00 O ATOM 796 CB SER A 356 9.407 38.067 0.150 1.00 0.00 C ATOM 797 OG SER A 356 9.462 39.356 0.743 1.00 0.00 O ATOM 0 H SER A 356 7.397 38.128 2.310 1.00 0.00 H new ATOM 0 HA SER A 356 8.614 36.099 0.574 1.00 0.00 H new ATOM 0 HB2 SER A 356 10.416 37.726 -0.082 1.00 0.00 H new ATOM 0 HB3 SER A 356 8.864 38.119 -0.794 1.00 0.00 H new ATOM 0 HG SER A 356 9.903 39.980 0.129 1.00 0.00 H new ATOM 803 N VAL A 357 10.599 35.968 2.232 1.00 0.00 N ATOM 804 CA VAL A 357 11.576 35.681 3.301 1.00 0.00 C ATOM 805 C VAL A 357 12.387 36.959 3.639 1.00 0.00 C ATOM 806 O VAL A 357 12.916 37.601 2.723 1.00 0.00 O ATOM 807 CB VAL A 357 12.554 34.518 2.862 1.00 0.00 C ATOM 808 CG1 VAL A 357 13.653 34.247 3.928 1.00 0.00 C ATOM 809 CG2 VAL A 357 11.765 33.221 2.529 1.00 0.00 C ATOM 0 H VAL A 357 10.783 35.454 1.371 1.00 0.00 H new ATOM 0 HA VAL A 357 11.032 35.360 4.190 1.00 0.00 H new ATOM 0 HB VAL A 357 13.061 34.849 1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 357 14.302 33.441 3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 357 14.245 35.150 4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 357 13.184 33.960 4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 357 12.462 32.438 2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 357 11.210 32.897 3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 357 11.069 33.418 1.714 1.00 0.00 H new ATOM 819 N PRO A 358 12.465 37.376 4.944 1.00 0.00 N ATOM 820 CA PRO A 358 13.279 38.540 5.352 1.00 0.00 C ATOM 821 C PRO A 358 14.794 38.184 5.408 1.00 0.00 C ATOM 822 O PRO A 358 15.145 37.020 5.664 1.00 0.00 O ATOM 823 CB PRO A 358 12.717 38.878 6.753 1.00 0.00 C ATOM 824 CG PRO A 358 12.276 37.556 7.306 1.00 0.00 C ATOM 825 CD PRO A 358 11.770 36.759 6.115 1.00 0.00 C ATOM 0 HA PRO A 358 13.217 39.376 4.655 1.00 0.00 H new ATOM 0 HB2 PRO A 358 13.476 39.340 7.385 1.00 0.00 H new ATOM 0 HB3 PRO A 358 11.885 39.580 6.689 1.00 0.00 H new ATOM 0 HG2 PRO A 358 13.102 37.042 7.798 1.00 0.00 H new ATOM 0 HG3 PRO A 358 11.492 37.686 8.052 1.00 0.00 H new ATOM 0 HD2 PRO A 358 12.013 35.701 6.211 1.00 0.00 H new ATOM 0 HD3 PRO A 358 10.687 36.830 6.019 1.00 0.00 H new ATOM 833 N PRO A 359 15.723 39.171 5.168 1.00 0.00 N ATOM 834 CA PRO A 359 17.193 38.943 5.295 1.00 0.00 C ATOM 835 C PRO A 359 17.685 38.958 6.775 1.00 0.00 C ATOM 836 O PRO A 359 18.894 38.996 7.032 1.00 0.00 O ATOM 837 CB PRO A 359 17.784 40.117 4.476 1.00 0.00 C ATOM 838 CG PRO A 359 16.796 41.230 4.681 1.00 0.00 C ATOM 839 CD PRO A 359 15.428 40.566 4.717 1.00 0.00 C ATOM 0 HA PRO A 359 17.500 37.960 4.937 1.00 0.00 H new ATOM 0 HB2 PRO A 359 18.777 40.393 4.831 1.00 0.00 H new ATOM 0 HB3 PRO A 359 17.883 39.859 3.422 1.00 0.00 H new ATOM 0 HG2 PRO A 359 16.996 41.765 5.610 1.00 0.00 H new ATOM 0 HG3 PRO A 359 16.856 41.960 3.874 1.00 0.00 H new ATOM 0 HD2 PRO A 359 14.754 41.075 5.405 1.00 0.00 H new ATOM 0 HD3 PRO A 359 14.951 40.578 3.737 1.00 0.00 H new ATOM 847 N GLU A 360 16.736 38.946 7.729 1.00 0.00 N ATOM 848 CA GLU A 360 17.020 38.912 9.173 1.00 0.00 C ATOM 849 C GLU A 360 17.591 37.529 9.595 1.00 0.00 C ATOM 850 O GLU A 360 17.036 36.494 9.212 1.00 0.00 O ATOM 851 CB GLU A 360 15.727 39.243 9.957 1.00 0.00 C ATOM 852 CG GLU A 360 15.194 40.669 9.689 1.00 0.00 C ATOM 853 CD GLU A 360 13.879 40.985 10.423 1.00 0.00 C ATOM 854 OE1 GLU A 360 13.897 41.089 11.667 1.00 0.00 O ATOM 855 OE2 GLU A 360 12.834 41.156 9.758 1.00 0.00 O ATOM 0 H GLU A 360 15.739 38.960 7.515 1.00 0.00 H new ATOM 0 HA GLU A 360 17.778 39.660 9.406 1.00 0.00 H new ATOM 0 HB2 GLU A 360 14.956 38.519 9.693 1.00 0.00 H new ATOM 0 HB3 GLU A 360 15.919 39.129 11.024 1.00 0.00 H new ATOM 0 HG2 GLU A 360 15.951 41.393 9.990 1.00 0.00 H new ATOM 0 HG3 GLU A 360 15.041 40.795 8.617 1.00 0.00 H new ATOM 862 N PRO A 361 18.708 37.501 10.397 1.00 0.00 N ATOM 863 CA PRO A 361 19.441 36.250 10.722 1.00 0.00 C ATOM 864 C PRO A 361 18.737 35.363 11.784 1.00 0.00 C ATOM 865 O PRO A 361 18.579 34.151 11.586 1.00 0.00 O ATOM 866 CB PRO A 361 20.807 36.783 11.224 1.00 0.00 C ATOM 867 CG PRO A 361 20.502 38.121 11.830 1.00 0.00 C ATOM 868 CD PRO A 361 19.337 38.690 11.047 1.00 0.00 C ATOM 0 HA PRO A 361 19.512 35.582 9.864 1.00 0.00 H new ATOM 0 HB2 PRO A 361 21.248 36.109 11.958 1.00 0.00 H new ATOM 0 HB3 PRO A 361 21.520 36.874 10.405 1.00 0.00 H new ATOM 0 HG2 PRO A 361 20.248 38.021 12.885 1.00 0.00 H new ATOM 0 HG3 PRO A 361 21.368 38.780 11.772 1.00 0.00 H new ATOM 0 HD2 PRO A 361 18.633 39.204 11.701 1.00 0.00 H new ATOM 0 HD3 PRO A 361 19.673 39.416 10.307 1.00 0.00 H new ATOM 876 N GLU A 362 18.311 35.974 12.906 1.00 0.00 N ATOM 877 CA GLU A 362 17.677 35.256 14.028 1.00 0.00 C ATOM 878 C GLU A 362 16.150 35.236 13.827 1.00 0.00 C ATOM 879 O GLU A 362 15.390 35.957 14.491 1.00 0.00 O ATOM 880 CB GLU A 362 18.092 35.901 15.392 1.00 0.00 C ATOM 881 CG GLU A 362 17.834 37.421 15.497 1.00 0.00 C ATOM 882 CD GLU A 362 18.162 38.006 16.880 1.00 0.00 C ATOM 883 OE1 GLU A 362 17.472 37.643 17.860 1.00 0.00 O ATOM 884 OE2 GLU A 362 19.089 38.838 16.994 1.00 0.00 O ATOM 0 H GLU A 362 18.397 36.979 13.060 1.00 0.00 H new ATOM 0 HA GLU A 362 18.023 34.223 14.051 1.00 0.00 H new ATOM 0 HB2 GLU A 362 17.551 35.399 16.194 1.00 0.00 H new ATOM 0 HB3 GLU A 362 19.153 35.715 15.558 1.00 0.00 H new ATOM 0 HG2 GLU A 362 18.430 37.935 14.743 1.00 0.00 H new ATOM 0 HG3 GLU A 362 16.788 37.620 15.266 1.00 0.00 H new ATOM 891 N TRP A 363 15.701 34.428 12.862 1.00 0.00 N ATOM 892 CA TRP A 363 14.279 34.351 12.516 1.00 0.00 C ATOM 893 C TRP A 363 13.535 33.473 13.533 1.00 0.00 C ATOM 894 O TRP A 363 13.915 32.317 13.786 1.00 0.00 O ATOM 895 CB TRP A 363 14.055 33.825 11.071 1.00 0.00 C ATOM 896 CG TRP A 363 12.634 34.059 10.603 1.00 0.00 C ATOM 897 CD1 TRP A 363 12.165 35.170 9.958 1.00 0.00 C ATOM 898 CD2 TRP A 363 11.489 33.204 10.803 1.00 0.00 C ATOM 899 NE1 TRP A 363 10.822 35.049 9.724 1.00 0.00 N ATOM 900 CE2 TRP A 363 10.388 33.855 10.236 1.00 0.00 C ATOM 901 CE3 TRP A 363 11.295 31.953 11.401 1.00 0.00 C ATOM 902 CZ2 TRP A 363 9.118 33.309 10.250 1.00 0.00 C ATOM 903 CZ3 TRP A 363 10.023 31.410 11.413 1.00 0.00 C ATOM 904 CH2 TRP A 363 8.951 32.086 10.836 1.00 0.00 C ATOM 0 H TRP A 363 16.302 33.818 12.307 1.00 0.00 H new ATOM 0 HA TRP A 363 13.876 35.363 12.553 1.00 0.00 H new ATOM 0 HB2 TRP A 363 14.748 34.321 10.392 1.00 0.00 H new ATOM 0 HB3 TRP A 363 14.280 32.759 11.033 1.00 0.00 H new ATOM 0 HD1 TRP A 363 12.768 36.020 9.674 1.00 0.00 H new ATOM 0 HE1 TRP A 363 10.239 35.736 9.246 1.00 0.00 H new ATOM 0 HE3 TRP A 363 12.124 31.422 11.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 363 8.282 33.834 9.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 363 9.859 30.448 11.876 1.00 0.00 H new ATOM 0 HH2 TRP A 363 7.970 31.635 10.852 1.00 0.00 H new ATOM 915 N TYR A 364 12.464 34.038 14.103 1.00 0.00 N ATOM 916 CA TYR A 364 11.552 33.343 15.015 1.00 0.00 C ATOM 917 C TYR A 364 10.096 33.614 14.591 1.00 0.00 C ATOM 918 O TYR A 364 9.823 34.516 13.795 1.00 0.00 O ATOM 919 CB TYR A 364 11.779 33.768 16.488 1.00 0.00 C ATOM 920 CG TYR A 364 13.223 33.608 16.997 1.00 0.00 C ATOM 921 CD1 TYR A 364 13.779 32.343 17.250 1.00 0.00 C ATOM 922 CD2 TYR A 364 14.029 34.722 17.228 1.00 0.00 C ATOM 923 CE1 TYR A 364 15.077 32.212 17.715 1.00 0.00 C ATOM 924 CE2 TYR A 364 15.325 34.589 17.689 1.00 0.00 C ATOM 925 CZ TYR A 364 15.846 33.339 17.933 1.00 0.00 C ATOM 926 OH TYR A 364 17.137 33.219 18.403 1.00 0.00 O ATOM 0 H TYR A 364 12.203 35.010 13.939 1.00 0.00 H new ATOM 0 HA TYR A 364 11.756 32.274 14.954 1.00 0.00 H new ATOM 0 HB2 TYR A 364 11.484 34.812 16.599 1.00 0.00 H new ATOM 0 HB3 TYR A 364 11.118 33.181 17.126 1.00 0.00 H new ATOM 0 HD1 TYR A 364 13.184 31.458 17.079 1.00 0.00 H new ATOM 0 HD2 TYR A 364 13.632 35.709 17.043 1.00 0.00 H new ATOM 0 HE1 TYR A 364 15.487 31.231 17.907 1.00 0.00 H new ATOM 0 HE2 TYR A 364 15.930 35.468 17.858 1.00 0.00 H new ATOM 0 HH TYR A 364 17.534 34.110 18.499 1.00 0.00 H new ATOM 936 N CYS A 365 9.174 32.793 15.116 1.00 0.00 N ATOM 937 CA CYS A 365 7.736 32.871 14.806 1.00 0.00 C ATOM 938 C CYS A 365 7.094 34.095 15.499 1.00 0.00 C ATOM 939 O CYS A 365 7.677 34.618 16.456 1.00 0.00 O ATOM 940 CB CYS A 365 7.044 31.566 15.259 1.00 0.00 C ATOM 941 SG CYS A 365 7.057 31.261 17.054 1.00 0.00 S ATOM 0 H CYS A 365 9.406 32.049 15.774 1.00 0.00 H new ATOM 0 HA CYS A 365 7.608 32.991 13.730 1.00 0.00 H new ATOM 0 HB2 CYS A 365 6.009 31.586 14.918 1.00 0.00 H new ATOM 0 HB3 CYS A 365 7.528 30.726 14.761 1.00 0.00 H new ATOM 0 HG CYS A 365 8.131 31.776 17.574 1.00 0.00 H new ATOM 946 N PRO A 366 5.891 34.581 15.018 1.00 0.00 N ATOM 947 CA PRO A 366 5.125 35.674 15.684 1.00 0.00 C ATOM 948 C PRO A 366 4.913 35.416 17.188 1.00 0.00 C ATOM 949 O PRO A 366 4.971 36.337 17.997 1.00 0.00 O ATOM 950 CB PRO A 366 3.768 35.668 14.940 1.00 0.00 C ATOM 951 CG PRO A 366 4.089 35.138 13.583 1.00 0.00 C ATOM 952 CD PRO A 366 5.206 34.140 13.770 1.00 0.00 C ATOM 0 HA PRO A 366 5.653 36.626 15.632 1.00 0.00 H new ATOM 0 HB2 PRO A 366 3.039 35.039 15.450 1.00 0.00 H new ATOM 0 HB3 PRO A 366 3.341 36.669 14.884 1.00 0.00 H new ATOM 0 HG2 PRO A 366 3.216 34.664 13.134 1.00 0.00 H new ATOM 0 HG3 PRO A 366 4.395 35.942 12.914 1.00 0.00 H new ATOM 0 HD2 PRO A 366 4.820 33.125 13.866 1.00 0.00 H new ATOM 0 HD3 PRO A 366 5.888 34.143 12.920 1.00 0.00 H new ATOM 960 N SER A 367 4.707 34.130 17.518 1.00 0.00 N ATOM 961 CA SER A 367 4.470 33.652 18.884 1.00 0.00 C ATOM 962 C SER A 367 5.637 33.990 19.858 1.00 0.00 C ATOM 963 O SER A 367 5.424 34.109 21.069 1.00 0.00 O ATOM 964 CB SER A 367 4.213 32.136 18.844 1.00 0.00 C ATOM 965 OG SER A 367 3.185 31.818 17.915 1.00 0.00 O ATOM 0 H SER A 367 4.701 33.381 16.826 1.00 0.00 H new ATOM 0 HA SER A 367 3.595 34.172 19.274 1.00 0.00 H new ATOM 0 HB2 SER A 367 5.130 31.615 18.569 1.00 0.00 H new ATOM 0 HB3 SER A 367 3.932 31.785 19.837 1.00 0.00 H new ATOM 0 HG SER A 367 3.041 30.849 17.906 1.00 0.00 H new ATOM 971 N CYS A 368 6.853 34.154 19.310 1.00 0.00 N ATOM 972 CA CYS A 368 8.063 34.503 20.090 1.00 0.00 C ATOM 973 C CYS A 368 8.151 36.018 20.408 1.00 0.00 C ATOM 974 O CYS A 368 8.857 36.407 21.348 1.00 0.00 O ATOM 975 CB CYS A 368 9.328 34.017 19.331 1.00 0.00 C ATOM 976 SG CYS A 368 9.729 32.265 19.610 1.00 0.00 S ATOM 0 H CYS A 368 7.030 34.049 18.311 1.00 0.00 H new ATOM 0 HA CYS A 368 7.998 33.994 21.052 1.00 0.00 H new ATOM 0 HB2 CYS A 368 9.184 34.181 18.263 1.00 0.00 H new ATOM 0 HB3 CYS A 368 10.179 34.627 19.635 1.00 0.00 H new ATOM 0 HG CYS A 368 10.922 32.168 20.118 1.00 0.00 H new