USER MOD reduce.3.24.130724 H: found=0, std=0, add=341, rem=0, adj=16 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 -134:sc= -0.656 USER MOD Set 1.2: A 341 CYS SG : rot 146:sc= 0.377 USER MOD Set 1.3: A 365 CYS SG : rot -37:sc= -2.67! USER MOD Set 1.4: A 367 SER OG : rot 180:sc= 0.0033 USER MOD Set 1.5: A 368 CYS SG : rot 124:sc= -1.84! USER MOD Set 2.1: A 323 CYS SG : rot -155:sc= 0.257 USER MOD Set 2.2: A 326 CYS SG : rot -68:sc= 0.188 USER MOD Set 2.3: A 346 HIS : no HD1:sc= -1.92 K(o=-4.4,f=-5.9!) USER MOD Set 2.4: A 349 CYS SG : rot -154:sc= -2.89! USER MOD Single : A 324 HIS : no HE2:sc= 0.189 K(o=0.2,f=-1.3) USER MOD Single : A 334 LYS NZ :NH3+ -112:sc= -0.0441 (180deg=-0.495) USER MOD Single : A 335 GLN : amide:sc= -0.791 X(o=-0.79,f=-0.86) USER MOD Single : A 343 MET CE :methyl -126:sc= -0.14 (180deg=-1.27) USER MOD Single : A 348 TYR OH : rot 180:sc= 0 USER MOD Single : A 351 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0136) 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 ----------------------------------------------------------------- ATOM 285 N ALA A 322 6.280 19.266 9.673 1.00 0.00 N ATOM 286 CA ALA A 322 5.606 20.165 8.711 1.00 0.00 C ATOM 287 C ALA A 322 5.306 21.533 9.368 1.00 0.00 C ATOM 288 O ALA A 322 5.640 21.761 10.538 1.00 0.00 O ATOM 289 CB ALA A 322 4.304 19.504 8.205 1.00 0.00 C ATOM 0 HA ALA A 322 6.266 20.337 7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 322 3.810 20.169 7.497 1.00 0.00 H new ATOM 0 HB2 ALA A 322 4.542 18.561 7.712 1.00 0.00 H new ATOM 0 HB3 ALA A 322 3.640 19.315 9.049 1.00 0.00 H new ATOM 295 N CYS A 323 4.689 22.453 8.605 1.00 0.00 N ATOM 296 CA CYS A 323 4.125 23.694 9.168 1.00 0.00 C ATOM 297 C CYS A 323 2.743 23.379 9.752 1.00 0.00 C ATOM 298 O CYS A 323 1.729 23.406 9.045 1.00 0.00 O ATOM 299 CB CYS A 323 4.054 24.803 8.089 1.00 0.00 C ATOM 300 SG CYS A 323 3.015 26.245 8.524 1.00 0.00 S ATOM 0 H CYS A 323 4.568 22.361 7.596 1.00 0.00 H new ATOM 0 HA CYS A 323 4.769 24.071 9.963 1.00 0.00 H new ATOM 0 HB2 CYS A 323 5.066 25.153 7.883 1.00 0.00 H new ATOM 0 HB3 CYS A 323 3.673 24.366 7.166 1.00 0.00 H new ATOM 0 HG CYS A 323 2.600 26.824 7.437 1.00 0.00 H new ATOM 305 N HIS A 324 2.722 23.096 11.068 1.00 0.00 N ATOM 306 CA HIS A 324 1.548 22.537 11.774 1.00 0.00 C ATOM 307 C HIS A 324 0.487 23.613 12.066 1.00 0.00 C ATOM 308 O HIS A 324 -0.612 23.292 12.516 1.00 0.00 O ATOM 309 CB HIS A 324 2.003 21.847 13.087 1.00 0.00 C ATOM 310 CG HIS A 324 3.141 20.885 12.901 1.00 0.00 C ATOM 311 ND1 HIS A 324 4.291 20.908 13.653 1.00 0.00 N ATOM 312 CD2 HIS A 324 3.301 19.885 11.999 1.00 0.00 C ATOM 313 CE1 HIS A 324 5.100 19.957 13.192 1.00 0.00 C ATOM 314 NE2 HIS A 324 4.547 19.304 12.183 1.00 0.00 N ATOM 0 H HIS A 324 3.525 23.249 11.678 1.00 0.00 H new ATOM 0 HA HIS A 324 1.084 21.798 11.121 1.00 0.00 H new ATOM 0 HB2 HIS A 324 2.299 22.612 13.805 1.00 0.00 H new ATOM 0 HB3 HIS A 324 1.156 21.315 13.520 1.00 0.00 H new ATOM 0 HD1 HIS A 324 4.489 21.542 14.427 1.00 0.00 H new ATOM 0 HD2 HIS A 324 2.575 19.589 11.257 1.00 0.00 H new ATOM 0 HE1 HIS A 324 6.081 19.746 13.590 1.00 0.00 H new ATOM 322 N VAL A 325 0.825 24.884 11.780 1.00 0.00 N ATOM 323 CA VAL A 325 -0.097 26.031 11.932 1.00 0.00 C ATOM 324 C VAL A 325 -1.289 25.905 10.943 1.00 0.00 C ATOM 325 O VAL A 325 -2.387 26.418 11.192 1.00 0.00 O ATOM 326 CB VAL A 325 0.674 27.380 11.699 1.00 0.00 C ATOM 327 CG1 VAL A 325 -0.189 28.617 12.048 1.00 0.00 C ATOM 328 CG2 VAL A 325 1.998 27.395 12.493 1.00 0.00 C ATOM 0 H VAL A 325 1.748 25.148 11.436 1.00 0.00 H new ATOM 0 HA VAL A 325 -0.494 26.028 12.947 1.00 0.00 H new ATOM 0 HB VAL A 325 0.902 27.440 10.635 1.00 0.00 H new ATOM 0 HG11 VAL A 325 0.388 29.525 11.871 1.00 0.00 H new ATOM 0 HG12 VAL A 325 -1.082 28.626 11.423 1.00 0.00 H new ATOM 0 HG13 VAL A 325 -0.481 28.572 13.097 1.00 0.00 H new ATOM 0 HG21 VAL A 325 2.517 28.338 12.318 1.00 0.00 H new ATOM 0 HG22 VAL A 325 1.785 27.290 13.557 1.00 0.00 H new ATOM 0 HG23 VAL A 325 2.628 26.568 12.165 1.00 0.00 H new ATOM 338 N CYS A 326 -1.041 25.195 9.824 1.00 0.00 N ATOM 339 CA CYS A 326 -2.068 24.859 8.809 1.00 0.00 C ATOM 340 C CYS A 326 -2.055 23.345 8.508 1.00 0.00 C ATOM 341 O CYS A 326 -2.903 22.849 7.754 1.00 0.00 O ATOM 342 CB CYS A 326 -1.786 25.639 7.512 1.00 0.00 C ATOM 343 SG CYS A 326 -0.198 25.196 6.738 1.00 0.00 S ATOM 0 H CYS A 326 -0.115 24.834 9.595 1.00 0.00 H new ATOM 0 HA CYS A 326 -3.048 25.133 9.200 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -2.592 25.455 6.802 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -1.791 26.707 7.730 1.00 0.00 H new ATOM 0 HG CYS A 326 0.780 25.611 7.487 1.00 0.00 H new ATOM 348 N GLY A 327 -1.080 22.627 9.106 1.00 0.00 N ATOM 349 CA GLY A 327 -0.829 21.215 8.796 1.00 0.00 C ATOM 350 C GLY A 327 -0.346 21.000 7.361 1.00 0.00 C ATOM 351 O GLY A 327 -0.554 19.930 6.777 1.00 0.00 O ATOM 0 H GLY A 327 -0.452 23.012 9.812 1.00 0.00 H new ATOM 0 HA2 GLY A 327 -0.084 20.823 9.488 1.00 0.00 H new ATOM 0 HA3 GLY A 327 -1.744 20.644 8.956 1.00 0.00 H new ATOM 355 N GLY A 328 0.330 22.025 6.813 1.00 0.00 N ATOM 356 CA GLY A 328 0.697 22.064 5.398 1.00 0.00 C ATOM 357 C GLY A 328 2.197 22.006 5.173 1.00 0.00 C ATOM 358 O GLY A 328 2.979 22.516 5.988 1.00 0.00 O ATOM 0 H GLY A 328 0.633 22.843 7.341 1.00 0.00 H new ATOM 0 HA2 GLY A 328 0.225 21.227 4.883 1.00 0.00 H new ATOM 0 HA3 GLY A 328 0.303 22.977 4.951 1.00 0.00 H new ATOM 362 N ARG A 329 2.591 21.388 4.048 1.00 0.00 N ATOM 363 CA ARG A 329 3.993 21.312 3.583 1.00 0.00 C ATOM 364 C ARG A 329 4.150 22.102 2.261 1.00 0.00 C ATOM 365 O ARG A 329 5.142 21.942 1.532 1.00 0.00 O ATOM 366 CB ARG A 329 4.400 19.834 3.373 1.00 0.00 C ATOM 367 CG ARG A 329 4.095 18.905 4.568 1.00 0.00 C ATOM 368 CD ARG A 329 4.514 17.449 4.301 1.00 0.00 C ATOM 369 NE ARG A 329 4.070 16.991 2.964 1.00 0.00 N ATOM 370 CZ ARG A 329 2.998 16.237 2.691 1.00 0.00 C ATOM 371 NH1 ARG A 329 2.296 15.675 3.656 1.00 0.00 N ATOM 372 NH2 ARG A 329 2.648 16.028 1.434 1.00 0.00 N ATOM 0 H ARG A 329 1.936 20.918 3.423 1.00 0.00 H new ATOM 0 HA ARG A 329 4.645 21.752 4.338 1.00 0.00 H new ATOM 0 HB2 ARG A 329 3.885 19.451 2.492 1.00 0.00 H new ATOM 0 HB3 ARG A 329 5.468 19.792 3.161 1.00 0.00 H new ATOM 0 HG2 ARG A 329 4.614 19.273 5.453 1.00 0.00 H new ATOM 0 HG3 ARG A 329 3.028 18.939 4.788 1.00 0.00 H new ATOM 0 HD2 ARG A 329 5.598 17.362 4.375 1.00 0.00 H new ATOM 0 HD3 ARG A 329 4.090 16.801 5.068 1.00 0.00 H new ATOM 0 HE ARG A 329 4.640 17.280 2.169 1.00 0.00 H new ATOM 0 HH11 ARG A 329 2.567 15.812 4.630 1.00 0.00 H new ATOM 0 HH12 ARG A 329 1.482 15.104 3.428 1.00 0.00 H new ATOM 0 HH21 ARG A 329 3.194 16.440 0.677 1.00 0.00 H new ATOM 0 HH22 ARG A 329 1.832 15.454 1.220 1.00 0.00 H new ATOM 386 N GLU A 330 3.170 22.983 2.001 1.00 0.00 N ATOM 387 CA GLU A 330 3.012 23.712 0.726 1.00 0.00 C ATOM 388 C GLU A 330 4.206 24.651 0.461 1.00 0.00 C ATOM 389 O GLU A 330 4.307 25.700 1.091 1.00 0.00 O ATOM 390 CB GLU A 330 1.690 24.523 0.768 1.00 0.00 C ATOM 391 CG GLU A 330 0.465 23.732 1.264 1.00 0.00 C ATOM 392 CD GLU A 330 -0.812 24.579 1.305 1.00 0.00 C ATOM 393 OE1 GLU A 330 -1.552 24.610 0.295 1.00 0.00 O ATOM 394 OE2 GLU A 330 -1.080 25.224 2.340 1.00 0.00 O ATOM 0 H GLU A 330 2.449 23.215 2.684 1.00 0.00 H new ATOM 0 HA GLU A 330 2.979 22.988 -0.088 1.00 0.00 H new ATOM 0 HB2 GLU A 330 1.832 25.390 1.414 1.00 0.00 H new ATOM 0 HB3 GLU A 330 1.480 24.902 -0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 330 0.305 22.873 0.613 1.00 0.00 H new ATOM 0 HG3 GLU A 330 0.669 23.342 2.261 1.00 0.00 H new ATOM 401 N ALA A 331 5.096 24.243 -0.460 1.00 0.00 N ATOM 402 CA ALA A 331 6.329 24.977 -0.799 1.00 0.00 C ATOM 403 C ALA A 331 7.297 25.019 0.411 1.00 0.00 C ATOM 404 O ALA A 331 7.236 25.950 1.224 1.00 0.00 O ATOM 405 CB ALA A 331 6.021 26.388 -1.344 1.00 0.00 C ATOM 0 H ALA A 331 4.978 23.384 -0.997 1.00 0.00 H new ATOM 0 HA ALA A 331 6.831 24.436 -1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.955 26.898 -1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 331 5.412 26.305 -2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 331 5.478 26.959 -0.590 1.00 0.00 H new ATOM 411 N PRO A 332 8.179 23.976 0.579 1.00 0.00 N ATOM 412 CA PRO A 332 9.217 23.951 1.647 1.00 0.00 C ATOM 413 C PRO A 332 10.250 25.098 1.507 1.00 0.00 C ATOM 414 O PRO A 332 10.946 25.432 2.472 1.00 0.00 O ATOM 415 CB PRO A 332 9.860 22.546 1.508 1.00 0.00 C ATOM 416 CG PRO A 332 9.547 22.116 0.106 1.00 0.00 C ATOM 417 CD PRO A 332 8.204 22.723 -0.227 1.00 0.00 C ATOM 0 HA PRO A 332 8.793 24.115 2.638 1.00 0.00 H new ATOM 0 HB2 PRO A 332 10.936 22.585 1.678 1.00 0.00 H new ATOM 0 HB3 PRO A 332 9.447 21.849 2.237 1.00 0.00 H new ATOM 0 HG2 PRO A 332 10.314 22.461 -0.588 1.00 0.00 H new ATOM 0 HG3 PRO A 332 9.513 21.029 0.030 1.00 0.00 H new ATOM 0 HD2 PRO A 332 8.110 22.930 -1.293 1.00 0.00 H new ATOM 0 HD3 PRO A 332 7.385 22.056 0.042 1.00 0.00 H new ATOM 425 N GLU A 333 10.321 25.683 0.296 1.00 0.00 N ATOM 426 CA GLU A 333 11.094 26.913 0.008 1.00 0.00 C ATOM 427 C GLU A 333 10.621 28.111 0.866 1.00 0.00 C ATOM 428 O GLU A 333 11.418 28.988 1.223 1.00 0.00 O ATOM 429 CB GLU A 333 10.951 27.254 -1.500 1.00 0.00 C ATOM 430 CG GLU A 333 9.495 27.435 -1.967 1.00 0.00 C ATOM 431 CD GLU A 333 9.347 27.699 -3.471 1.00 0.00 C ATOM 432 OE1 GLU A 333 9.543 28.856 -3.898 1.00 0.00 O ATOM 433 OE2 GLU A 333 8.996 26.761 -4.223 1.00 0.00 O ATOM 0 H GLU A 333 9.838 25.312 -0.522 1.00 0.00 H new ATOM 0 HA GLU A 333 12.138 26.728 0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 333 11.505 28.169 -1.709 1.00 0.00 H new ATOM 0 HB3 GLU A 333 11.414 26.460 -2.087 1.00 0.00 H new ATOM 0 HG2 GLU A 333 8.928 26.541 -1.709 1.00 0.00 H new ATOM 0 HG3 GLU A 333 9.049 28.264 -1.418 1.00 0.00 H new ATOM 440 N LYS A 334 9.315 28.132 1.186 1.00 0.00 N ATOM 441 CA LYS A 334 8.666 29.222 1.943 1.00 0.00 C ATOM 442 C LYS A 334 8.285 28.780 3.372 1.00 0.00 C ATOM 443 O LYS A 334 7.578 29.510 4.076 1.00 0.00 O ATOM 444 CB LYS A 334 7.433 29.746 1.140 1.00 0.00 C ATOM 445 CG LYS A 334 7.816 30.633 -0.074 1.00 0.00 C ATOM 446 CD LYS A 334 6.590 31.188 -0.840 1.00 0.00 C ATOM 447 CE LYS A 334 5.950 30.161 -1.787 1.00 0.00 C ATOM 448 NZ LYS A 334 6.856 29.822 -2.920 1.00 0.00 N ATOM 0 H LYS A 334 8.672 27.385 0.924 1.00 0.00 H new ATOM 0 HA LYS A 334 9.376 30.041 2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 334 6.850 28.895 0.788 1.00 0.00 H new ATOM 0 HB3 LYS A 334 6.790 30.318 1.809 1.00 0.00 H new ATOM 0 HG2 LYS A 334 8.427 31.467 0.273 1.00 0.00 H new ATOM 0 HG3 LYS A 334 8.431 30.051 -0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 334 5.843 31.524 -0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 334 6.895 32.062 -1.415 1.00 0.00 H new ATOM 0 HE2 LYS A 334 5.706 29.255 -1.232 1.00 0.00 H new ATOM 0 HE3 LYS A 334 5.013 30.558 -2.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 6.455 30.188 -3.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 7.789 30.252 -2.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 6.957 28.789 -2.986 1.00 0.00 H new ATOM 462 N GLN A 335 8.770 27.596 3.809 1.00 0.00 N ATOM 463 CA GLN A 335 8.648 27.157 5.213 1.00 0.00 C ATOM 464 C GLN A 335 9.908 27.584 5.973 1.00 0.00 C ATOM 465 O GLN A 335 10.964 26.940 5.858 1.00 0.00 O ATOM 466 CB GLN A 335 8.464 25.625 5.349 1.00 0.00 C ATOM 467 CG GLN A 335 7.318 25.029 4.525 1.00 0.00 C ATOM 468 CD GLN A 335 7.067 23.550 4.826 1.00 0.00 C ATOM 469 OE1 GLN A 335 7.164 23.104 5.975 1.00 0.00 O ATOM 470 NE2 GLN A 335 6.819 22.767 3.796 1.00 0.00 N ATOM 0 H GLN A 335 9.250 26.928 3.206 1.00 0.00 H new ATOM 0 HA GLN A 335 7.756 27.625 5.630 1.00 0.00 H new ATOM 0 HB2 GLN A 335 9.393 25.136 5.056 1.00 0.00 H new ATOM 0 HB3 GLN A 335 8.297 25.387 6.399 1.00 0.00 H new ATOM 0 HG2 GLN A 335 6.406 25.593 4.721 1.00 0.00 H new ATOM 0 HG3 GLN A 335 7.543 25.145 3.465 1.00 0.00 H new ATOM 0 HE21 GLN A 335 6.745 23.164 2.860 1.00 0.00 H new ATOM 0 HE22 GLN A 335 6.701 21.763 3.935 1.00 0.00 H new ATOM 479 N LEU A 336 9.810 28.706 6.688 1.00 0.00 N ATOM 480 CA LEU A 336 10.876 29.194 7.565 1.00 0.00 C ATOM 481 C LEU A 336 10.755 28.532 8.942 1.00 0.00 C ATOM 482 O LEU A 336 9.717 28.638 9.607 1.00 0.00 O ATOM 483 CB LEU A 336 10.794 30.731 7.682 1.00 0.00 C ATOM 484 CG LEU A 336 10.994 31.509 6.350 1.00 0.00 C ATOM 485 CD1 LEU A 336 10.710 33.010 6.522 1.00 0.00 C ATOM 486 CD2 LEU A 336 12.408 31.285 5.780 1.00 0.00 C ATOM 0 H LEU A 336 8.985 29.305 6.675 1.00 0.00 H new ATOM 0 HA LEU A 336 11.846 28.934 7.142 1.00 0.00 H new ATOM 0 HB2 LEU A 336 9.821 30.996 8.096 1.00 0.00 H new ATOM 0 HB3 LEU A 336 11.547 31.066 8.396 1.00 0.00 H new ATOM 0 HG LEU A 336 10.272 31.114 5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 336 10.860 33.520 5.571 1.00 0.00 H new ATOM 0 HD12 LEU A 336 9.680 33.150 6.850 1.00 0.00 H new ATOM 0 HD13 LEU A 336 11.388 33.426 7.267 1.00 0.00 H new ATOM 0 HD21 LEU A 336 12.517 31.841 4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 336 13.150 31.632 6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 336 12.559 30.223 5.588 1.00 0.00 H new ATOM 498 N LEU A 337 11.824 27.850 9.356 1.00 0.00 N ATOM 499 CA LEU A 337 11.887 27.153 10.646 1.00 0.00 C ATOM 500 C LEU A 337 12.394 28.125 11.721 1.00 0.00 C ATOM 501 O LEU A 337 13.532 28.597 11.650 1.00 0.00 O ATOM 502 CB LEU A 337 12.806 25.888 10.574 1.00 0.00 C ATOM 503 CG LEU A 337 12.234 24.634 9.828 1.00 0.00 C ATOM 504 CD1 LEU A 337 12.028 24.883 8.315 1.00 0.00 C ATOM 505 CD2 LEU A 337 13.114 23.385 10.082 1.00 0.00 C ATOM 0 H LEU A 337 12.677 27.764 8.804 1.00 0.00 H new ATOM 0 HA LEU A 337 10.885 26.810 10.904 1.00 0.00 H new ATOM 0 HB2 LEU A 337 13.739 26.174 10.089 1.00 0.00 H new ATOM 0 HB3 LEU A 337 13.055 25.592 11.593 1.00 0.00 H new ATOM 0 HG LEU A 337 11.245 24.443 10.246 1.00 0.00 H new ATOM 0 HD11 LEU A 337 11.630 23.982 7.849 1.00 0.00 H new ATOM 0 HD12 LEU A 337 11.326 25.705 8.174 1.00 0.00 H new ATOM 0 HD13 LEU A 337 12.983 25.138 7.855 1.00 0.00 H new ATOM 0 HD21 LEU A 337 12.694 22.530 9.553 1.00 0.00 H new ATOM 0 HD22 LEU A 337 14.125 23.573 9.722 1.00 0.00 H new ATOM 0 HD23 LEU A 337 13.143 23.172 11.151 1.00 0.00 H new ATOM 517 N CYS A 338 11.523 28.463 12.688 1.00 0.00 N ATOM 518 CA CYS A 338 11.920 29.249 13.862 1.00 0.00 C ATOM 519 C CYS A 338 12.907 28.456 14.706 1.00 0.00 C ATOM 520 O CYS A 338 12.529 27.444 15.296 1.00 0.00 O ATOM 521 CB CYS A 338 10.706 29.641 14.715 1.00 0.00 C ATOM 522 SG CYS A 338 11.129 30.696 16.142 1.00 0.00 S ATOM 0 H CYS A 338 10.537 28.201 12.676 1.00 0.00 H new ATOM 0 HA CYS A 338 12.392 30.165 13.507 1.00 0.00 H new ATOM 0 HB2 CYS A 338 9.985 30.165 14.087 1.00 0.00 H new ATOM 0 HB3 CYS A 338 10.217 28.736 15.075 1.00 0.00 H new ATOM 0 HG CYS A 338 10.522 30.254 17.203 1.00 0.00 H new ATOM 527 N ASP A 339 14.165 28.920 14.739 1.00 0.00 N ATOM 528 CA ASP A 339 15.260 28.263 15.481 1.00 0.00 C ATOM 529 C ASP A 339 14.890 28.034 16.968 1.00 0.00 C ATOM 530 O ASP A 339 15.114 26.951 17.523 1.00 0.00 O ATOM 531 CB ASP A 339 16.544 29.118 15.353 1.00 0.00 C ATOM 532 CG ASP A 339 17.772 28.466 16.005 1.00 0.00 C ATOM 533 OD1 ASP A 339 18.275 27.461 15.461 1.00 0.00 O ATOM 534 OD2 ASP A 339 18.246 28.956 17.057 1.00 0.00 O ATOM 0 H ASP A 339 14.457 29.766 14.250 1.00 0.00 H new ATOM 0 HA ASP A 339 15.435 27.279 15.047 1.00 0.00 H new ATOM 0 HB2 ASP A 339 16.752 29.294 14.298 1.00 0.00 H new ATOM 0 HB3 ASP A 339 16.371 30.092 15.811 1.00 0.00 H new ATOM 539 N GLU A 340 14.266 29.067 17.555 1.00 0.00 N ATOM 540 CA GLU A 340 13.774 29.072 18.946 1.00 0.00 C ATOM 541 C GLU A 340 12.786 27.907 19.229 1.00 0.00 C ATOM 542 O GLU A 340 12.831 27.286 20.292 1.00 0.00 O ATOM 543 CB GLU A 340 13.070 30.430 19.206 1.00 0.00 C ATOM 544 CG GLU A 340 12.569 30.649 20.646 1.00 0.00 C ATOM 545 CD GLU A 340 13.700 30.777 21.678 1.00 0.00 C ATOM 546 OE1 GLU A 340 14.405 31.815 21.667 1.00 0.00 O ATOM 547 OE2 GLU A 340 13.875 29.867 22.516 1.00 0.00 O ATOM 0 H GLU A 340 14.084 29.944 17.066 1.00 0.00 H new ATOM 0 HA GLU A 340 14.625 28.935 19.613 1.00 0.00 H new ATOM 0 HB2 GLU A 340 13.763 31.233 18.954 1.00 0.00 H new ATOM 0 HB3 GLU A 340 12.222 30.516 18.527 1.00 0.00 H new ATOM 0 HG2 GLU A 340 11.958 31.551 20.676 1.00 0.00 H new ATOM 0 HG3 GLU A 340 11.924 29.817 20.928 1.00 0.00 H new ATOM 554 N CYS A 341 11.913 27.604 18.249 1.00 0.00 N ATOM 555 CA CYS A 341 10.755 26.688 18.446 1.00 0.00 C ATOM 556 C CYS A 341 10.914 25.351 17.683 1.00 0.00 C ATOM 557 O CYS A 341 10.114 24.433 17.888 1.00 0.00 O ATOM 558 CB CYS A 341 9.465 27.410 17.997 1.00 0.00 C ATOM 559 SG CYS A 341 9.112 28.954 18.904 1.00 0.00 S ATOM 0 H CYS A 341 11.983 27.980 17.303 1.00 0.00 H new ATOM 0 HA CYS A 341 10.703 26.436 19.505 1.00 0.00 H new ATOM 0 HB2 CYS A 341 9.541 27.637 16.934 1.00 0.00 H new ATOM 0 HB3 CYS A 341 8.621 26.730 18.118 1.00 0.00 H new ATOM 0 HG CYS A 341 8.556 29.812 18.101 1.00 0.00 H new ATOM 564 N ASP A 342 11.927 25.276 16.790 1.00 0.00 N ATOM 565 CA ASP A 342 12.156 24.143 15.835 1.00 0.00 C ATOM 566 C ASP A 342 10.942 23.865 14.908 1.00 0.00 C ATOM 567 O ASP A 342 10.890 22.823 14.241 1.00 0.00 O ATOM 568 CB ASP A 342 12.566 22.841 16.584 1.00 0.00 C ATOM 569 CG ASP A 342 13.914 22.954 17.310 1.00 0.00 C ATOM 570 OD1 ASP A 342 14.955 22.575 16.730 1.00 0.00 O ATOM 571 OD2 ASP A 342 13.943 23.422 18.469 1.00 0.00 O ATOM 0 H ASP A 342 12.628 26.012 16.703 1.00 0.00 H new ATOM 0 HA ASP A 342 12.980 24.462 15.196 1.00 0.00 H new ATOM 0 HB2 ASP A 342 11.792 22.588 17.308 1.00 0.00 H new ATOM 0 HB3 ASP A 342 12.614 22.019 15.869 1.00 0.00 H new ATOM 576 N MET A 343 10.007 24.821 14.825 1.00 0.00 N ATOM 577 CA MET A 343 8.748 24.664 14.074 1.00 0.00 C ATOM 578 C MET A 343 8.830 25.410 12.743 1.00 0.00 C ATOM 579 O MET A 343 9.382 26.515 12.681 1.00 0.00 O ATOM 580 CB MET A 343 7.539 25.172 14.908 1.00 0.00 C ATOM 581 CG MET A 343 7.123 24.279 16.089 1.00 0.00 C ATOM 582 SD MET A 343 6.479 22.660 15.582 1.00 0.00 S ATOM 583 CE MET A 343 7.927 21.589 15.623 1.00 0.00 C ATOM 0 H MET A 343 10.100 25.730 15.278 1.00 0.00 H new ATOM 0 HA MET A 343 8.599 23.603 13.873 1.00 0.00 H new ATOM 0 HB2 MET A 343 7.777 26.164 15.292 1.00 0.00 H new ATOM 0 HB3 MET A 343 6.683 25.285 14.242 1.00 0.00 H new ATOM 0 HG2 MET A 343 7.983 24.131 16.742 1.00 0.00 H new ATOM 0 HG3 MET A 343 6.363 24.796 16.675 1.00 0.00 H new ATOM 0 HE1 MET A 343 8.039 21.091 14.660 1.00 0.00 H new ATOM 0 HE2 MET A 343 8.815 22.186 15.829 1.00 0.00 H new ATOM 0 HE3 MET A 343 7.804 20.840 16.406 1.00 0.00 H new ATOM 593 N ALA A 344 8.256 24.795 11.702 1.00 0.00 N ATOM 594 CA ALA A 344 8.180 25.370 10.354 1.00 0.00 C ATOM 595 C ALA A 344 6.929 26.253 10.242 1.00 0.00 C ATOM 596 O ALA A 344 5.859 25.904 10.762 1.00 0.00 O ATOM 597 CB ALA A 344 8.169 24.247 9.295 1.00 0.00 C ATOM 0 H ALA A 344 7.826 23.873 11.773 1.00 0.00 H new ATOM 0 HA ALA A 344 9.058 25.990 10.172 1.00 0.00 H new ATOM 0 HB1 ALA A 344 8.112 24.687 8.299 1.00 0.00 H new ATOM 0 HB2 ALA A 344 9.082 23.658 9.380 1.00 0.00 H new ATOM 0 HB3 ALA A 344 7.305 23.603 9.457 1.00 0.00 H new ATOM 603 N PHE A 345 7.082 27.412 9.598 1.00 0.00 N ATOM 604 CA PHE A 345 5.991 28.370 9.360 1.00 0.00 C ATOM 605 C PHE A 345 6.072 28.841 7.906 1.00 0.00 C ATOM 606 O PHE A 345 7.154 29.202 7.440 1.00 0.00 O ATOM 607 CB PHE A 345 6.098 29.619 10.286 1.00 0.00 C ATOM 608 CG PHE A 345 6.045 29.348 11.785 1.00 0.00 C ATOM 609 CD1 PHE A 345 4.862 29.512 12.497 1.00 0.00 C ATOM 610 CD2 PHE A 345 7.179 28.934 12.481 1.00 0.00 C ATOM 611 CE1 PHE A 345 4.811 29.264 13.856 1.00 0.00 C ATOM 612 CE2 PHE A 345 7.126 28.686 13.836 1.00 0.00 C ATOM 613 CZ PHE A 345 5.942 28.849 14.523 1.00 0.00 C ATOM 0 H PHE A 345 7.978 27.719 9.220 1.00 0.00 H new ATOM 0 HA PHE A 345 5.047 27.869 9.572 1.00 0.00 H new ATOM 0 HB2 PHE A 345 7.033 30.133 10.063 1.00 0.00 H new ATOM 0 HB3 PHE A 345 5.289 30.305 10.032 1.00 0.00 H new ATOM 0 HD1 PHE A 345 3.971 29.838 11.981 1.00 0.00 H new ATOM 0 HD2 PHE A 345 8.112 28.806 11.952 1.00 0.00 H new ATOM 0 HE1 PHE A 345 3.884 29.396 14.395 1.00 0.00 H new ATOM 0 HE2 PHE A 345 8.013 28.363 14.360 1.00 0.00 H new ATOM 0 HZ PHE A 345 5.901 28.651 15.584 1.00 0.00 H new ATOM 623 N HIS A 346 4.936 28.823 7.193 1.00 0.00 N ATOM 624 CA HIS A 346 4.832 29.474 5.875 1.00 0.00 C ATOM 625 C HIS A 346 4.834 30.999 6.055 1.00 0.00 C ATOM 626 O HIS A 346 4.416 31.499 7.109 1.00 0.00 O ATOM 627 CB HIS A 346 3.557 29.017 5.112 1.00 0.00 C ATOM 628 CG HIS A 346 3.587 27.576 4.681 1.00 0.00 C ATOM 629 ND1 HIS A 346 2.636 26.669 5.091 1.00 0.00 N ATOM 630 CD2 HIS A 346 4.464 26.960 3.867 1.00 0.00 C ATOM 631 CE1 HIS A 346 2.961 25.536 4.505 1.00 0.00 C ATOM 632 NE2 HIS A 346 4.060 25.657 3.763 1.00 0.00 N ATOM 0 H HIS A 346 4.078 28.367 7.504 1.00 0.00 H new ATOM 0 HA HIS A 346 5.693 29.178 5.276 1.00 0.00 H new ATOM 0 HB2 HIS A 346 2.687 29.177 5.749 1.00 0.00 H new ATOM 0 HB3 HIS A 346 3.427 29.647 4.232 1.00 0.00 H new ATOM 0 HD2 HIS A 346 5.322 27.408 3.388 1.00 0.00 H new ATOM 0 HE1 HIS A 346 2.403 24.618 4.613 1.00 0.00 H new ATOM 0 HE2 HIS A 346 4.513 24.921 3.222 1.00 0.00 H new ATOM 640 N LEU A 347 5.314 31.717 5.028 1.00 0.00 N ATOM 641 CA LEU A 347 5.288 33.196 4.984 1.00 0.00 C ATOM 642 C LEU A 347 3.866 33.751 5.243 1.00 0.00 C ATOM 643 O LEU A 347 3.689 34.770 5.913 1.00 0.00 O ATOM 644 CB LEU A 347 5.809 33.690 3.608 1.00 0.00 C ATOM 645 CG LEU A 347 7.335 33.489 3.338 1.00 0.00 C ATOM 646 CD1 LEU A 347 7.719 33.897 1.898 1.00 0.00 C ATOM 647 CD2 LEU A 347 8.174 34.259 4.377 1.00 0.00 C ATOM 0 H LEU A 347 5.733 31.292 4.201 1.00 0.00 H new ATOM 0 HA LEU A 347 5.938 33.567 5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 347 5.251 33.176 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 347 5.581 34.752 3.516 1.00 0.00 H new ATOM 0 HG LEU A 347 7.554 32.426 3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 347 8.788 33.743 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 347 7.162 33.288 1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 347 7.479 34.949 1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 347 9.234 34.107 4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 347 7.941 35.322 4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 347 7.941 33.893 5.377 1.00 0.00 H new ATOM 659 N TYR A 348 2.869 33.021 4.740 1.00 0.00 N ATOM 660 CA TYR A 348 1.452 33.418 4.772 1.00 0.00 C ATOM 661 C TYR A 348 0.758 32.876 6.049 1.00 0.00 C ATOM 662 O TYR A 348 -0.412 33.179 6.304 1.00 0.00 O ATOM 663 CB TYR A 348 0.773 32.888 3.475 1.00 0.00 C ATOM 664 CG TYR A 348 1.625 33.126 2.216 1.00 0.00 C ATOM 665 CD1 TYR A 348 2.429 32.110 1.682 1.00 0.00 C ATOM 666 CD2 TYR A 348 1.664 34.375 1.595 1.00 0.00 C ATOM 667 CE1 TYR A 348 3.236 32.334 0.581 1.00 0.00 C ATOM 668 CE2 TYR A 348 2.461 34.602 0.488 1.00 0.00 C ATOM 669 CZ TYR A 348 3.249 33.583 -0.015 1.00 0.00 C ATOM 670 OH TYR A 348 4.058 33.818 -1.115 1.00 0.00 O ATOM 0 H TYR A 348 3.022 32.119 4.289 1.00 0.00 H new ATOM 0 HA TYR A 348 1.362 34.504 4.808 1.00 0.00 H new ATOM 0 HB2 TYR A 348 0.580 31.820 3.581 1.00 0.00 H new ATOM 0 HB3 TYR A 348 -0.194 33.376 3.351 1.00 0.00 H new ATOM 0 HD1 TYR A 348 2.418 31.132 2.140 1.00 0.00 H new ATOM 0 HD2 TYR A 348 1.060 35.180 1.987 1.00 0.00 H new ATOM 0 HE1 TYR A 348 3.852 31.539 0.189 1.00 0.00 H new ATOM 0 HE2 TYR A 348 2.468 35.574 0.017 1.00 0.00 H new ATOM 0 HH TYR A 348 3.946 34.746 -1.411 1.00 0.00 H new ATOM 680 N CYS A 349 1.505 32.082 6.854 1.00 0.00 N ATOM 681 CA CYS A 349 1.036 31.548 8.159 1.00 0.00 C ATOM 682 C CYS A 349 1.609 32.372 9.333 1.00 0.00 C ATOM 683 O CYS A 349 1.573 31.939 10.493 1.00 0.00 O ATOM 684 CB CYS A 349 1.438 30.057 8.286 1.00 0.00 C ATOM 685 SG CYS A 349 0.670 28.985 7.033 1.00 0.00 S ATOM 0 H CYS A 349 2.454 31.792 6.617 1.00 0.00 H new ATOM 0 HA CYS A 349 -0.050 31.628 8.201 1.00 0.00 H new ATOM 0 HB2 CYS A 349 2.522 29.974 8.208 1.00 0.00 H new ATOM 0 HB3 CYS A 349 1.162 29.698 9.277 1.00 0.00 H new ATOM 0 HG CYS A 349 0.593 27.770 7.490 1.00 0.00 H new ATOM 690 N LEU A 350 2.134 33.568 9.011 1.00 0.00 N ATOM 691 CA LEU A 350 2.696 34.509 10.000 1.00 0.00 C ATOM 692 C LEU A 350 1.646 35.555 10.412 1.00 0.00 C ATOM 693 O LEU A 350 0.487 35.483 9.988 1.00 0.00 O ATOM 694 CB LEU A 350 3.968 35.187 9.417 1.00 0.00 C ATOM 695 CG LEU A 350 5.112 34.216 8.988 1.00 0.00 C ATOM 696 CD1 LEU A 350 6.321 34.980 8.418 1.00 0.00 C ATOM 697 CD2 LEU A 350 5.520 33.279 10.146 1.00 0.00 C ATOM 0 H LEU A 350 2.181 33.912 8.052 1.00 0.00 H new ATOM 0 HA LEU A 350 2.979 33.957 10.896 1.00 0.00 H new ATOM 0 HB2 LEU A 350 3.677 35.782 8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 350 4.363 35.879 10.161 1.00 0.00 H new ATOM 0 HG LEU A 350 4.724 33.589 8.186 1.00 0.00 H new ATOM 0 HD11 LEU A 350 7.097 34.271 8.130 1.00 0.00 H new ATOM 0 HD12 LEU A 350 6.011 35.552 7.544 1.00 0.00 H new ATOM 0 HD13 LEU A 350 6.713 35.659 9.176 1.00 0.00 H new ATOM 0 HD21 LEU A 350 6.319 32.616 9.813 1.00 0.00 H new ATOM 0 HD22 LEU A 350 5.870 33.874 10.989 1.00 0.00 H new ATOM 0 HD23 LEU A 350 4.660 32.685 10.454 1.00 0.00 H new ATOM 709 N LYS A 351 2.061 36.528 11.242 1.00 0.00 N ATOM 710 CA LYS A 351 1.179 37.605 11.711 1.00 0.00 C ATOM 711 C LYS A 351 2.045 38.830 12.092 1.00 0.00 C ATOM 712 O LYS A 351 2.635 38.837 13.175 1.00 0.00 O ATOM 713 CB LYS A 351 0.291 37.111 12.897 1.00 0.00 C ATOM 714 CG LYS A 351 -0.917 38.013 13.245 1.00 0.00 C ATOM 715 CD LYS A 351 -1.887 38.243 12.055 1.00 0.00 C ATOM 716 CE LYS A 351 -2.379 36.943 11.388 1.00 0.00 C ATOM 717 NZ LYS A 351 -2.988 35.999 12.361 1.00 0.00 N ATOM 0 H LYS A 351 3.013 36.588 11.604 1.00 0.00 H new ATOM 0 HA LYS A 351 0.495 37.904 10.917 1.00 0.00 H new ATOM 0 HB2 LYS A 351 -0.079 36.113 12.660 1.00 0.00 H new ATOM 0 HB3 LYS A 351 0.919 37.016 13.783 1.00 0.00 H new ATOM 0 HG2 LYS A 351 -1.469 37.564 14.071 1.00 0.00 H new ATOM 0 HG3 LYS A 351 -0.550 38.978 13.595 1.00 0.00 H new ATOM 0 HD2 LYS A 351 -2.750 38.808 12.407 1.00 0.00 H new ATOM 0 HD3 LYS A 351 -1.388 38.857 11.306 1.00 0.00 H new ATOM 0 HE2 LYS A 351 -3.110 37.188 10.618 1.00 0.00 H new ATOM 0 HE3 LYS A 351 -1.542 36.455 10.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 -3.348 35.164 11.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 -2.270 35.702 13.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 -3.773 36.469 12.856 1.00 0.00 H new ATOM 731 N PRO A 352 2.185 39.880 11.206 1.00 0.00 N ATOM 732 CA PRO A 352 1.527 39.971 9.867 1.00 0.00 C ATOM 733 C PRO A 352 2.108 38.969 8.814 1.00 0.00 C ATOM 734 O PRO A 352 3.324 38.746 8.787 1.00 0.00 O ATOM 735 CB PRO A 352 1.788 41.447 9.450 1.00 0.00 C ATOM 736 CG PRO A 352 3.055 41.821 10.155 1.00 0.00 C ATOM 737 CD PRO A 352 3.013 41.091 11.482 1.00 0.00 C ATOM 0 HA PRO A 352 0.471 39.704 9.915 1.00 0.00 H new ATOM 0 HB2 PRO A 352 1.893 41.541 8.369 1.00 0.00 H new ATOM 0 HB3 PRO A 352 0.963 42.095 9.747 1.00 0.00 H new ATOM 0 HG2 PRO A 352 3.929 41.527 9.573 1.00 0.00 H new ATOM 0 HG3 PRO A 352 3.118 42.899 10.302 1.00 0.00 H new ATOM 0 HD2 PRO A 352 4.013 40.821 11.820 1.00 0.00 H new ATOM 0 HD3 PRO A 352 2.568 41.708 12.263 1.00 0.00 H new ATOM 745 N PRO A 353 1.227 38.322 7.972 1.00 0.00 N ATOM 746 CA PRO A 353 1.662 37.379 6.908 1.00 0.00 C ATOM 747 C PRO A 353 2.530 38.074 5.838 1.00 0.00 C ATOM 748 O PRO A 353 2.082 39.025 5.178 1.00 0.00 O ATOM 749 CB PRO A 353 0.327 36.850 6.301 1.00 0.00 C ATOM 750 CG PRO A 353 -0.704 37.151 7.341 1.00 0.00 C ATOM 751 CD PRO A 353 -0.257 38.438 7.993 1.00 0.00 C ATOM 0 HA PRO A 353 2.291 36.580 7.301 1.00 0.00 H new ATOM 0 HB2 PRO A 353 0.096 37.346 5.358 1.00 0.00 H new ATOM 0 HB3 PRO A 353 0.381 35.781 6.094 1.00 0.00 H new ATOM 0 HG2 PRO A 353 -1.692 37.260 6.894 1.00 0.00 H new ATOM 0 HG3 PRO A 353 -0.772 36.344 8.071 1.00 0.00 H new ATOM 0 HD2 PRO A 353 -0.602 39.312 7.441 1.00 0.00 H new ATOM 0 HD3 PRO A 353 -0.641 38.531 9.009 1.00 0.00 H new ATOM 759 N LEU A 354 3.772 37.597 5.697 1.00 0.00 N ATOM 760 CA LEU A 354 4.749 38.150 4.749 1.00 0.00 C ATOM 761 C LEU A 354 4.542 37.564 3.341 1.00 0.00 C ATOM 762 O LEU A 354 4.087 36.424 3.185 1.00 0.00 O ATOM 763 CB LEU A 354 6.186 37.864 5.262 1.00 0.00 C ATOM 764 CG LEU A 354 6.538 38.475 6.656 1.00 0.00 C ATOM 765 CD1 LEU A 354 7.974 38.115 7.079 1.00 0.00 C ATOM 766 CD2 LEU A 354 6.310 40.005 6.688 1.00 0.00 C ATOM 0 H LEU A 354 4.131 36.812 6.240 1.00 0.00 H new ATOM 0 HA LEU A 354 4.604 39.228 4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 354 6.327 36.784 5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 354 6.897 38.244 4.528 1.00 0.00 H new ATOM 0 HG LEU A 354 5.857 38.032 7.382 1.00 0.00 H new ATOM 0 HD11 LEU A 354 8.188 38.555 8.053 1.00 0.00 H new ATOM 0 HD12 LEU A 354 8.074 37.031 7.141 1.00 0.00 H new ATOM 0 HD13 LEU A 354 8.678 38.503 6.343 1.00 0.00 H new ATOM 0 HD21 LEU A 354 6.566 40.391 7.675 1.00 0.00 H new ATOM 0 HD22 LEU A 354 6.939 40.482 5.937 1.00 0.00 H new ATOM 0 HD23 LEU A 354 5.263 40.221 6.475 1.00 0.00 H new ATOM 778 N THR A 355 4.858 38.375 2.329 1.00 0.00 N ATOM 779 CA THR A 355 4.830 37.958 0.917 1.00 0.00 C ATOM 780 C THR A 355 6.222 37.444 0.499 1.00 0.00 C ATOM 781 O THR A 355 6.343 36.619 -0.415 1.00 0.00 O ATOM 782 CB THR A 355 4.380 39.143 -0.017 1.00 0.00 C ATOM 783 OG1 THR A 355 4.203 38.687 -1.368 1.00 0.00 O ATOM 784 CG2 THR A 355 5.384 40.316 -0.010 1.00 0.00 C ATOM 0 H THR A 355 5.143 39.345 2.462 1.00 0.00 H new ATOM 0 HA THR A 355 4.102 37.154 0.809 1.00 0.00 H new ATOM 0 HB THR A 355 3.432 39.505 0.382 1.00 0.00 H new ATOM 0 HG1 THR A 355 3.922 39.437 -1.932 1.00 0.00 H new ATOM 0 HG21 THR A 355 5.025 41.106 -0.670 1.00 0.00 H new ATOM 0 HG22 THR A 355 5.481 40.706 1.003 1.00 0.00 H new ATOM 0 HG23 THR A 355 6.356 39.965 -0.358 1.00 0.00 H new ATOM 792 N SER A 356 7.263 37.926 1.204 1.00 0.00 N ATOM 793 CA SER A 356 8.672 37.658 0.885 1.00 0.00 C ATOM 794 C SER A 356 9.411 37.162 2.144 1.00 0.00 C ATOM 795 O SER A 356 8.953 37.408 3.266 1.00 0.00 O ATOM 796 CB SER A 356 9.328 38.950 0.327 1.00 0.00 C ATOM 797 OG SER A 356 9.205 40.038 1.234 1.00 0.00 O ATOM 0 H SER A 356 7.143 38.522 2.023 1.00 0.00 H new ATOM 0 HA SER A 356 8.736 36.878 0.126 1.00 0.00 H new ATOM 0 HB2 SER A 356 10.383 38.764 0.124 1.00 0.00 H new ATOM 0 HB3 SER A 356 8.862 39.214 -0.622 1.00 0.00 H new ATOM 0 HG SER A 356 9.630 40.833 0.851 1.00 0.00 H new ATOM 803 N VAL A 357 10.546 36.454 1.953 1.00 0.00 N ATOM 804 CA VAL A 357 11.394 35.972 3.063 1.00 0.00 C ATOM 805 C VAL A 357 12.209 37.150 3.666 1.00 0.00 C ATOM 806 O VAL A 357 12.863 37.884 2.919 1.00 0.00 O ATOM 807 CB VAL A 357 12.349 34.801 2.595 1.00 0.00 C ATOM 808 CG1 VAL A 357 13.191 35.177 1.343 1.00 0.00 C ATOM 809 CG2 VAL A 357 13.258 34.315 3.753 1.00 0.00 C ATOM 0 H VAL A 357 10.898 36.202 1.029 1.00 0.00 H new ATOM 0 HA VAL A 357 10.742 35.568 3.838 1.00 0.00 H new ATOM 0 HB VAL A 357 11.701 33.975 2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 357 13.828 34.336 1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 357 12.524 35.415 0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 357 13.812 36.044 1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 357 13.901 33.510 3.397 1.00 0.00 H new ATOM 0 HG22 VAL A 357 13.873 35.143 4.105 1.00 0.00 H new ATOM 0 HG23 VAL A 357 12.639 33.949 4.572 1.00 0.00 H new ATOM 819 N PRO A 358 12.141 37.388 5.015 1.00 0.00 N ATOM 820 CA PRO A 358 12.957 38.432 5.677 1.00 0.00 C ATOM 821 C PRO A 358 14.450 38.002 5.787 1.00 0.00 C ATOM 822 O PRO A 358 14.738 36.808 5.929 1.00 0.00 O ATOM 823 CB PRO A 358 12.287 38.575 7.067 1.00 0.00 C ATOM 824 CG PRO A 358 11.699 37.228 7.336 1.00 0.00 C ATOM 825 CD PRO A 358 11.277 36.671 5.990 1.00 0.00 C ATOM 0 HA PRO A 358 12.983 39.372 5.126 1.00 0.00 H new ATOM 0 HB2 PRO A 358 13.013 38.852 7.832 1.00 0.00 H new ATOM 0 HB3 PRO A 358 11.520 39.349 7.061 1.00 0.00 H new ATOM 0 HG2 PRO A 358 12.428 36.575 7.816 1.00 0.00 H new ATOM 0 HG3 PRO A 358 10.846 37.304 8.010 1.00 0.00 H new ATOM 0 HD2 PRO A 358 11.428 35.593 5.939 1.00 0.00 H new ATOM 0 HD3 PRO A 358 10.220 36.854 5.796 1.00 0.00 H new ATOM 833 N PRO A 359 15.426 38.966 5.733 1.00 0.00 N ATOM 834 CA PRO A 359 16.883 38.653 5.769 1.00 0.00 C ATOM 835 C PRO A 359 17.435 38.418 7.205 1.00 0.00 C ATOM 836 O PRO A 359 18.655 38.330 7.393 1.00 0.00 O ATOM 837 CB PRO A 359 17.496 39.921 5.130 1.00 0.00 C ATOM 838 CG PRO A 359 16.598 41.026 5.602 1.00 0.00 C ATOM 839 CD PRO A 359 15.196 40.437 5.610 1.00 0.00 C ATOM 0 HA PRO A 359 17.123 37.722 5.255 1.00 0.00 H new ATOM 0 HB2 PRO A 359 18.525 40.075 5.454 1.00 0.00 H new ATOM 0 HB3 PRO A 359 17.511 39.854 4.042 1.00 0.00 H new ATOM 0 HG2 PRO A 359 16.886 41.367 6.596 1.00 0.00 H new ATOM 0 HG3 PRO A 359 16.657 41.889 4.939 1.00 0.00 H new ATOM 0 HD2 PRO A 359 14.606 40.820 6.443 1.00 0.00 H new ATOM 0 HD3 PRO A 359 14.654 40.682 4.696 1.00 0.00 H new ATOM 847 N GLU A 360 16.529 38.317 8.196 1.00 0.00 N ATOM 848 CA GLU A 360 16.893 38.176 9.621 1.00 0.00 C ATOM 849 C GLU A 360 17.559 36.800 9.911 1.00 0.00 C ATOM 850 O GLU A 360 16.950 35.757 9.640 1.00 0.00 O ATOM 851 CB GLU A 360 15.628 38.342 10.495 1.00 0.00 C ATOM 852 CG GLU A 360 14.913 39.696 10.315 1.00 0.00 C ATOM 853 CD GLU A 360 13.625 39.834 11.149 1.00 0.00 C ATOM 854 OE1 GLU A 360 13.703 40.285 12.320 1.00 0.00 O ATOM 855 OE2 GLU A 360 12.527 39.506 10.641 1.00 0.00 O ATOM 0 H GLU A 360 15.522 38.331 8.032 1.00 0.00 H new ATOM 0 HA GLU A 360 17.618 38.953 9.864 1.00 0.00 H new ATOM 0 HB2 GLU A 360 14.929 37.540 10.260 1.00 0.00 H new ATOM 0 HB3 GLU A 360 15.905 38.226 11.543 1.00 0.00 H new ATOM 0 HG2 GLU A 360 15.599 40.498 10.588 1.00 0.00 H new ATOM 0 HG3 GLU A 360 14.669 39.830 9.261 1.00 0.00 H new ATOM 862 N PRO A 361 18.822 36.784 10.467 1.00 0.00 N ATOM 863 CA PRO A 361 19.548 35.527 10.802 1.00 0.00 C ATOM 864 C PRO A 361 18.893 34.765 11.977 1.00 0.00 C ATOM 865 O PRO A 361 18.761 33.536 11.932 1.00 0.00 O ATOM 866 CB PRO A 361 20.981 36.012 11.150 1.00 0.00 C ATOM 867 CG PRO A 361 20.821 37.446 11.562 1.00 0.00 C ATOM 868 CD PRO A 361 19.634 37.987 10.790 1.00 0.00 C ATOM 0 HA PRO A 361 19.535 34.810 9.981 1.00 0.00 H new ATOM 0 HB2 PRO A 361 21.414 35.417 11.954 1.00 0.00 H new ATOM 0 HB3 PRO A 361 21.647 35.921 10.292 1.00 0.00 H new ATOM 0 HG2 PRO A 361 20.653 37.524 12.636 1.00 0.00 H new ATOM 0 HG3 PRO A 361 21.722 38.017 11.338 1.00 0.00 H new ATOM 0 HD2 PRO A 361 19.066 38.702 11.385 1.00 0.00 H new ATOM 0 HD3 PRO A 361 19.952 38.506 9.886 1.00 0.00 H new ATOM 876 N GLU A 362 18.483 35.510 13.023 1.00 0.00 N ATOM 877 CA GLU A 362 17.751 34.956 14.175 1.00 0.00 C ATOM 878 C GLU A 362 16.235 35.061 13.901 1.00 0.00 C ATOM 879 O GLU A 362 15.521 35.881 14.499 1.00 0.00 O ATOM 880 CB GLU A 362 18.182 35.701 15.484 1.00 0.00 C ATOM 881 CG GLU A 362 18.045 37.236 15.430 1.00 0.00 C ATOM 882 CD GLU A 362 18.528 37.932 16.711 1.00 0.00 C ATOM 883 OE1 GLU A 362 17.743 38.044 17.677 1.00 0.00 O ATOM 884 OE2 GLU A 362 19.697 38.375 16.764 1.00 0.00 O ATOM 0 H GLU A 362 18.651 36.514 13.091 1.00 0.00 H new ATOM 0 HA GLU A 362 17.991 33.902 14.317 1.00 0.00 H new ATOM 0 HB2 GLU A 362 17.582 35.326 16.313 1.00 0.00 H new ATOM 0 HB3 GLU A 362 19.220 35.450 15.703 1.00 0.00 H new ATOM 0 HG2 GLU A 362 18.614 37.615 14.581 1.00 0.00 H new ATOM 0 HG3 GLU A 362 17.001 37.495 15.255 1.00 0.00 H new ATOM 891 N TRP A 363 15.745 34.221 12.959 1.00 0.00 N ATOM 892 CA TRP A 363 14.331 34.244 12.538 1.00 0.00 C ATOM 893 C TRP A 363 13.450 33.703 13.677 1.00 0.00 C ATOM 894 O TRP A 363 13.378 32.482 13.911 1.00 0.00 O ATOM 895 CB TRP A 363 14.099 33.446 11.219 1.00 0.00 C ATOM 896 CG TRP A 363 12.748 33.703 10.611 1.00 0.00 C ATOM 897 CD1 TRP A 363 12.427 34.726 9.767 1.00 0.00 C ATOM 898 CD2 TRP A 363 11.534 32.962 10.815 1.00 0.00 C ATOM 899 NE1 TRP A 363 11.105 34.661 9.429 1.00 0.00 N ATOM 900 CE2 TRP A 363 10.540 33.585 10.058 1.00 0.00 C ATOM 901 CE3 TRP A 363 11.199 31.832 11.554 1.00 0.00 C ATOM 902 CZ2 TRP A 363 9.231 33.125 10.016 1.00 0.00 C ATOM 903 CZ3 TRP A 363 9.894 31.371 11.517 1.00 0.00 C ATOM 904 CH2 TRP A 363 8.930 32.015 10.751 1.00 0.00 C ATOM 0 H TRP A 363 16.310 33.521 12.479 1.00 0.00 H new ATOM 0 HA TRP A 363 14.053 35.277 12.327 1.00 0.00 H new ATOM 0 HB2 TRP A 363 14.873 33.711 10.499 1.00 0.00 H new ATOM 0 HB3 TRP A 363 14.204 32.380 11.422 1.00 0.00 H new ATOM 0 HD1 TRP A 363 13.118 35.478 9.417 1.00 0.00 H new ATOM 0 HE1 TRP A 363 10.619 35.309 8.809 1.00 0.00 H new ATOM 0 HE3 TRP A 363 11.945 31.323 12.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 363 8.479 33.626 9.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 363 9.621 30.498 12.092 1.00 0.00 H new ATOM 0 HH2 TRP A 363 7.921 31.629 10.737 1.00 0.00 H new ATOM 915 N TYR A 364 12.834 34.634 14.419 1.00 0.00 N ATOM 916 CA TYR A 364 11.891 34.325 15.492 1.00 0.00 C ATOM 917 C TYR A 364 10.468 34.575 14.984 1.00 0.00 C ATOM 918 O TYR A 364 10.137 35.692 14.587 1.00 0.00 O ATOM 919 CB TYR A 364 12.198 35.166 16.764 1.00 0.00 C ATOM 920 CG TYR A 364 13.578 34.896 17.385 1.00 0.00 C ATOM 921 CD1 TYR A 364 14.334 35.928 17.941 1.00 0.00 C ATOM 922 CD2 TYR A 364 14.127 33.608 17.409 1.00 0.00 C ATOM 923 CE1 TYR A 364 15.577 35.691 18.491 1.00 0.00 C ATOM 924 CE2 TYR A 364 15.371 33.367 17.961 1.00 0.00 C ATOM 925 CZ TYR A 364 16.093 34.410 18.501 1.00 0.00 C ATOM 926 OH TYR A 364 17.340 34.175 19.045 1.00 0.00 O ATOM 0 H TYR A 364 12.982 35.634 14.285 1.00 0.00 H new ATOM 0 HA TYR A 364 11.990 33.277 15.776 1.00 0.00 H new ATOM 0 HB2 TYR A 364 12.127 36.224 16.511 1.00 0.00 H new ATOM 0 HB3 TYR A 364 11.431 34.965 17.512 1.00 0.00 H new ATOM 0 HD1 TYR A 364 13.938 36.933 17.941 1.00 0.00 H new ATOM 0 HD2 TYR A 364 13.567 32.786 16.988 1.00 0.00 H new ATOM 0 HE1 TYR A 364 16.146 36.506 18.913 1.00 0.00 H new ATOM 0 HE2 TYR A 364 15.776 32.366 17.969 1.00 0.00 H new ATOM 0 HH TYR A 364 17.554 33.221 18.973 1.00 0.00 H new ATOM 936 N CYS A 365 9.660 33.497 14.982 1.00 0.00 N ATOM 937 CA CYS A 365 8.226 33.521 14.619 1.00 0.00 C ATOM 938 C CYS A 365 7.455 34.573 15.455 1.00 0.00 C ATOM 939 O CYS A 365 7.865 34.852 16.587 1.00 0.00 O ATOM 940 CB CYS A 365 7.612 32.131 14.884 1.00 0.00 C ATOM 941 SG CYS A 365 7.495 31.671 16.658 1.00 0.00 S ATOM 0 H CYS A 365 9.990 32.566 15.237 1.00 0.00 H new ATOM 0 HA CYS A 365 8.145 33.784 13.564 1.00 0.00 H new ATOM 0 HB2 CYS A 365 6.613 32.101 14.448 1.00 0.00 H new ATOM 0 HB3 CYS A 365 8.209 31.380 14.366 1.00 0.00 H new ATOM 0 HG CYS A 365 8.535 32.124 17.293 1.00 0.00 H new ATOM 946 N PRO A 366 6.333 35.171 14.930 1.00 0.00 N ATOM 947 CA PRO A 366 5.509 36.163 15.693 1.00 0.00 C ATOM 948 C PRO A 366 5.038 35.619 17.068 1.00 0.00 C ATOM 949 O PRO A 366 4.809 36.388 18.000 1.00 0.00 O ATOM 950 CB PRO A 366 4.314 36.461 14.737 1.00 0.00 C ATOM 951 CG PRO A 366 4.331 35.341 13.738 1.00 0.00 C ATOM 952 CD PRO A 366 5.786 34.977 13.561 1.00 0.00 C ATOM 0 HA PRO A 366 6.076 37.058 15.951 1.00 0.00 H new ATOM 0 HB2 PRO A 366 3.370 36.491 15.281 1.00 0.00 H new ATOM 0 HB3 PRO A 366 4.431 37.428 14.248 1.00 0.00 H new ATOM 0 HG2 PRO A 366 3.754 34.488 14.096 1.00 0.00 H new ATOM 0 HG3 PRO A 366 3.887 35.652 12.792 1.00 0.00 H new ATOM 0 HD2 PRO A 366 5.909 33.950 13.216 1.00 0.00 H new ATOM 0 HD3 PRO A 366 6.280 35.619 12.832 1.00 0.00 H new ATOM 960 N SER A 367 4.938 34.279 17.171 1.00 0.00 N ATOM 961 CA SER A 367 4.597 33.572 18.423 1.00 0.00 C ATOM 962 C SER A 367 5.610 33.891 19.558 1.00 0.00 C ATOM 963 O SER A 367 5.231 34.055 20.723 1.00 0.00 O ATOM 964 CB SER A 367 4.549 32.051 18.159 1.00 0.00 C ATOM 965 OG SER A 367 3.813 31.744 16.978 1.00 0.00 O ATOM 0 H SER A 367 5.093 33.651 16.382 1.00 0.00 H new ATOM 0 HA SER A 367 3.618 33.918 18.754 1.00 0.00 H new ATOM 0 HB2 SER A 367 5.564 31.666 18.066 1.00 0.00 H new ATOM 0 HB3 SER A 367 4.094 31.548 19.012 1.00 0.00 H new ATOM 0 HG SER A 367 3.805 30.774 16.841 1.00 0.00 H new ATOM 971 N CYS A 368 6.898 34.005 19.172 1.00 0.00 N ATOM 972 CA CYS A 368 8.015 34.312 20.096 1.00 0.00 C ATOM 973 C CYS A 368 7.840 35.674 20.806 1.00 0.00 C ATOM 974 O CYS A 368 8.306 35.833 21.941 1.00 0.00 O ATOM 975 CB CYS A 368 9.373 34.257 19.340 1.00 0.00 C ATOM 976 SG CYS A 368 10.151 32.603 19.318 1.00 0.00 S ATOM 0 H CYS A 368 7.196 33.886 18.204 1.00 0.00 H new ATOM 0 HA CYS A 368 8.008 33.548 20.874 1.00 0.00 H new ATOM 0 HB2 CYS A 368 9.218 34.587 18.313 1.00 0.00 H new ATOM 0 HB3 CYS A 368 10.062 34.964 19.802 1.00 0.00 H new ATOM 0 HG CYS A 368 10.372 32.244 18.088 1.00 0.00 H new