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 -114:sc= 0.705 USER MOD Set 1.2: A 341 CYS SG : rot 66:sc= 1.1 USER MOD Set 1.3: A 365 CYS SG : rot -38:sc= 0.45 USER MOD Set 1.4: A 367 SER OG : rot -30:sc= 0.408 USER MOD Set 1.5: A 368 CYS SG : rot 160:sc= -0.821 USER MOD Set 2.1: A 323 CYS SG : rot -161:sc= 0.305 USER MOD Set 2.2: A 326 CYS SG : rot -62:sc= 0.192 USER MOD Set 2.3: A 335 GLN : amide:sc= 0.00145 X(o=-1.5,f=-1.7) USER MOD Set 2.4: A 346 HIS : no HD1:sc= 0.759 K(o=-1.5,f=-7.5!) USER MOD Set 2.5: A 348 TYR OH : rot 180:sc= 0 USER MOD Set 2.6: A 349 CYS SG : rot 50:sc= -2.79! USER MOD Single : A 324 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 334 LYS NZ :NH3+ 133:sc= 0.383 (180deg=0.0148) USER MOD Single : A 343 MET CE :methyl 165:sc= -0.103 (180deg=-0.461) USER MOD Single : A 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 355 THR OG1 : rot 180:sc= 0.00079 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 6.108 19.268 9.278 1.00 0.00 N ATOM 286 CA ALA A 322 5.302 20.223 8.496 1.00 0.00 C ATOM 287 C ALA A 322 5.199 21.595 9.173 1.00 0.00 C ATOM 288 O ALA A 322 5.729 21.822 10.267 1.00 0.00 O ATOM 289 CB ALA A 322 3.888 19.648 8.274 1.00 0.00 C ATOM 0 HA ALA A 322 5.806 20.368 7.541 1.00 0.00 H new ATOM 0 HB1 ALA A 322 3.294 20.356 7.696 1.00 0.00 H new ATOM 0 HB2 ALA A 322 3.960 18.706 7.731 1.00 0.00 H new ATOM 0 HB3 ALA A 322 3.410 19.476 9.238 1.00 0.00 H new ATOM 295 N CYS A 323 4.506 22.504 8.474 1.00 0.00 N ATOM 296 CA CYS A 323 4.030 23.776 9.021 1.00 0.00 C ATOM 297 C CYS A 323 2.722 23.523 9.787 1.00 0.00 C ATOM 298 O CYS A 323 1.660 23.403 9.170 1.00 0.00 O ATOM 299 CB CYS A 323 3.843 24.804 7.876 1.00 0.00 C ATOM 300 SG CYS A 323 2.830 26.264 8.290 1.00 0.00 S ATOM 0 H CYS A 323 4.257 22.371 7.494 1.00 0.00 H new ATOM 0 HA CYS A 323 4.760 24.194 9.714 1.00 0.00 H new ATOM 0 HB2 CYS A 323 4.827 25.145 7.553 1.00 0.00 H new ATOM 0 HB3 CYS A 323 3.387 24.296 7.026 1.00 0.00 H new ATOM 0 HG CYS A 323 2.413 26.828 7.195 1.00 0.00 H new ATOM 305 N HIS A 324 2.824 23.459 11.136 1.00 0.00 N ATOM 306 CA HIS A 324 1.756 22.965 12.040 1.00 0.00 C ATOM 307 C HIS A 324 0.479 23.828 11.962 1.00 0.00 C ATOM 308 O HIS A 324 -0.626 23.330 12.208 1.00 0.00 O ATOM 309 CB HIS A 324 2.303 22.906 13.495 1.00 0.00 C ATOM 310 CG HIS A 324 1.304 22.478 14.547 1.00 0.00 C ATOM 311 ND1 HIS A 324 0.963 23.249 15.636 1.00 0.00 N ATOM 312 CD2 HIS A 324 0.571 21.336 14.657 1.00 0.00 C ATOM 313 CE1 HIS A 324 0.066 22.575 16.358 1.00 0.00 C ATOM 314 NE2 HIS A 324 -0.210 21.406 15.807 1.00 0.00 N ATOM 0 H HIS A 324 3.663 23.754 11.635 1.00 0.00 H new ATOM 0 HA HIS A 324 1.470 21.964 11.717 1.00 0.00 H new ATOM 0 HB2 HIS A 324 3.148 22.218 13.520 1.00 0.00 H new ATOM 0 HB3 HIS A 324 2.686 23.891 13.761 1.00 0.00 H new ATOM 0 HD2 HIS A 324 0.592 20.509 13.963 1.00 0.00 H new ATOM 0 HE1 HIS A 324 -0.377 22.938 17.274 1.00 0.00 H new ATOM 0 HE2 HIS A 324 -0.861 20.701 16.153 1.00 0.00 H new ATOM 322 N VAL A 325 0.651 25.108 11.583 1.00 0.00 N ATOM 323 CA VAL A 325 -0.457 26.075 11.467 1.00 0.00 C ATOM 324 C VAL A 325 -1.543 25.583 10.477 1.00 0.00 C ATOM 325 O VAL A 325 -2.741 25.729 10.732 1.00 0.00 O ATOM 326 CB VAL A 325 0.073 27.501 11.051 1.00 0.00 C ATOM 327 CG1 VAL A 325 -1.079 28.508 10.787 1.00 0.00 C ATOM 328 CG2 VAL A 325 1.038 28.058 12.123 1.00 0.00 C ATOM 0 H VAL A 325 1.562 25.501 11.348 1.00 0.00 H new ATOM 0 HA VAL A 325 -0.918 26.157 12.451 1.00 0.00 H new ATOM 0 HB VAL A 325 0.614 27.376 10.113 1.00 0.00 H new ATOM 0 HG11 VAL A 325 -0.660 29.474 10.504 1.00 0.00 H new ATOM 0 HG12 VAL A 325 -1.710 28.136 9.980 1.00 0.00 H new ATOM 0 HG13 VAL A 325 -1.677 28.622 11.691 1.00 0.00 H new ATOM 0 HG21 VAL A 325 1.392 29.042 11.817 1.00 0.00 H new ATOM 0 HG22 VAL A 325 0.515 28.140 13.076 1.00 0.00 H new ATOM 0 HG23 VAL A 325 1.888 27.384 12.233 1.00 0.00 H new ATOM 338 N CYS A 326 -1.108 24.961 9.369 1.00 0.00 N ATOM 339 CA CYS A 326 -2.025 24.473 8.310 1.00 0.00 C ATOM 340 C CYS A 326 -1.765 22.986 7.968 1.00 0.00 C ATOM 341 O CYS A 326 -2.411 22.441 7.070 1.00 0.00 O ATOM 342 CB CYS A 326 -1.874 25.354 7.052 1.00 0.00 C ATOM 343 SG CYS A 326 -0.255 25.193 6.238 1.00 0.00 S ATOM 0 H CYS A 326 -0.123 24.781 9.177 1.00 0.00 H new ATOM 0 HA CYS A 326 -3.047 24.543 8.683 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -2.657 25.093 6.340 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -2.030 26.397 7.328 1.00 0.00 H new ATOM 0 HG CYS A 326 0.682 25.571 7.056 1.00 0.00 H new ATOM 348 N GLY A 327 -0.829 22.346 8.706 1.00 0.00 N ATOM 349 CA GLY A 327 -0.504 20.919 8.534 1.00 0.00 C ATOM 350 C GLY A 327 -0.044 20.533 7.122 1.00 0.00 C ATOM 351 O GLY A 327 -0.667 19.686 6.472 1.00 0.00 O ATOM 0 H GLY A 327 -0.282 22.806 9.434 1.00 0.00 H new ATOM 0 HA2 GLY A 327 0.279 20.651 9.243 1.00 0.00 H new ATOM 0 HA3 GLY A 327 -1.382 20.327 8.790 1.00 0.00 H new ATOM 355 N GLY A 328 1.060 21.143 6.653 1.00 0.00 N ATOM 356 CA GLY A 328 1.580 20.869 5.303 1.00 0.00 C ATOM 357 C GLY A 328 3.051 21.249 5.142 1.00 0.00 C ATOM 358 O GLY A 328 3.475 22.291 5.646 1.00 0.00 O ATOM 0 H GLY A 328 1.604 21.823 7.184 1.00 0.00 H new ATOM 0 HA2 GLY A 328 1.458 19.809 5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 328 0.986 21.418 4.572 1.00 0.00 H new ATOM 362 N ARG A 329 3.832 20.385 4.444 1.00 0.00 N ATOM 363 CA ARG A 329 5.256 20.650 4.085 1.00 0.00 C ATOM 364 C ARG A 329 5.356 21.379 2.725 1.00 0.00 C ATOM 365 O ARG A 329 6.456 21.602 2.203 1.00 0.00 O ATOM 366 CB ARG A 329 6.057 19.321 4.008 1.00 0.00 C ATOM 367 CG ARG A 329 5.974 18.439 5.268 1.00 0.00 C ATOM 368 CD ARG A 329 6.975 17.272 5.238 1.00 0.00 C ATOM 369 NE ARG A 329 8.376 17.743 5.307 1.00 0.00 N ATOM 370 CZ ARG A 329 9.421 17.206 4.652 1.00 0.00 C ATOM 371 NH1 ARG A 329 9.247 16.239 3.753 1.00 0.00 N ATOM 372 NH2 ARG A 329 10.636 17.676 4.868 1.00 0.00 N ATOM 0 H ARG A 329 3.494 19.482 4.112 1.00 0.00 H new ATOM 0 HA ARG A 329 5.679 21.285 4.864 1.00 0.00 H new ATOM 0 HB2 ARG A 329 5.697 18.746 3.155 1.00 0.00 H new ATOM 0 HB3 ARG A 329 7.104 19.555 3.815 1.00 0.00 H new ATOM 0 HG2 ARG A 329 6.162 19.052 6.149 1.00 0.00 H new ATOM 0 HG3 ARG A 329 4.963 18.044 5.365 1.00 0.00 H new ATOM 0 HD2 ARG A 329 6.776 16.602 6.074 1.00 0.00 H new ATOM 0 HD3 ARG A 329 6.831 16.694 4.325 1.00 0.00 H new ATOM 0 HE ARG A 329 8.566 18.547 5.905 1.00 0.00 H new ATOM 0 HH11 ARG A 329 8.309 15.893 3.551 1.00 0.00 H new ATOM 0 HH12 ARG A 329 10.052 15.844 3.266 1.00 0.00 H new ATOM 0 HH21 ARG A 329 10.777 18.441 5.528 1.00 0.00 H new ATOM 0 HH22 ARG A 329 11.433 17.274 4.375 1.00 0.00 H new ATOM 386 N GLU A 330 4.185 21.737 2.191 1.00 0.00 N ATOM 387 CA GLU A 330 4.002 22.363 0.875 1.00 0.00 C ATOM 388 C GLU A 330 4.776 23.694 0.777 1.00 0.00 C ATOM 389 O GLU A 330 4.727 24.487 1.711 1.00 0.00 O ATOM 390 CB GLU A 330 2.475 22.586 0.666 1.00 0.00 C ATOM 391 CG GLU A 330 1.622 21.310 0.874 1.00 0.00 C ATOM 392 CD GLU A 330 0.106 21.573 0.885 1.00 0.00 C ATOM 393 OE1 GLU A 330 -0.457 21.813 1.977 1.00 0.00 O ATOM 394 OE2 GLU A 330 -0.527 21.540 -0.191 1.00 0.00 O ATOM 0 H GLU A 330 3.302 21.594 2.682 1.00 0.00 H new ATOM 0 HA GLU A 330 4.398 21.714 0.094 1.00 0.00 H new ATOM 0 HB2 GLU A 330 2.132 23.357 1.356 1.00 0.00 H new ATOM 0 HB3 GLU A 330 2.307 22.963 -0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 330 1.852 20.597 0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 330 1.907 20.843 1.817 1.00 0.00 H new ATOM 401 N ALA A 331 5.504 23.892 -0.340 1.00 0.00 N ATOM 402 CA ALA A 331 6.333 25.093 -0.594 1.00 0.00 C ATOM 403 C ALA A 331 7.334 25.377 0.566 1.00 0.00 C ATOM 404 O ALA A 331 7.149 26.348 1.319 1.00 0.00 O ATOM 405 CB ALA A 331 5.445 26.315 -0.907 1.00 0.00 C ATOM 0 H ALA A 331 5.535 23.215 -1.102 1.00 0.00 H new ATOM 0 HA ALA A 331 6.942 24.891 -1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.075 27.185 -1.090 1.00 0.00 H new ATOM 0 HB2 ALA A 331 4.843 26.110 -1.792 1.00 0.00 H new ATOM 0 HB3 ALA A 331 4.788 26.514 -0.060 1.00 0.00 H new ATOM 411 N PRO A 332 8.413 24.520 0.725 1.00 0.00 N ATOM 412 CA PRO A 332 9.426 24.665 1.814 1.00 0.00 C ATOM 413 C PRO A 332 10.228 25.978 1.687 1.00 0.00 C ATOM 414 O PRO A 332 10.751 26.515 2.675 1.00 0.00 O ATOM 415 CB PRO A 332 10.354 23.427 1.635 1.00 0.00 C ATOM 416 CG PRO A 332 9.615 22.498 0.714 1.00 0.00 C ATOM 417 CD PRO A 332 8.743 23.367 -0.154 1.00 0.00 C ATOM 0 HA PRO A 332 8.961 24.709 2.799 1.00 0.00 H new ATOM 0 HB2 PRO A 332 11.316 23.716 1.211 1.00 0.00 H new ATOM 0 HB3 PRO A 332 10.559 22.949 2.593 1.00 0.00 H new ATOM 0 HG2 PRO A 332 10.310 21.917 0.108 1.00 0.00 H new ATOM 0 HG3 PRO A 332 9.014 21.786 1.280 1.00 0.00 H new ATOM 0 HD2 PRO A 332 9.266 23.687 -1.055 1.00 0.00 H new ATOM 0 HD3 PRO A 332 7.846 22.839 -0.477 1.00 0.00 H new ATOM 425 N GLU A 333 10.319 26.441 0.434 1.00 0.00 N ATOM 426 CA GLU A 333 10.880 27.756 0.047 1.00 0.00 C ATOM 427 C GLU A 333 10.323 28.920 0.893 1.00 0.00 C ATOM 428 O GLU A 333 11.046 29.860 1.234 1.00 0.00 O ATOM 429 CB GLU A 333 10.573 28.006 -1.457 1.00 0.00 C ATOM 430 CG GLU A 333 9.076 27.885 -1.824 1.00 0.00 C ATOM 431 CD GLU A 333 8.780 28.187 -3.298 1.00 0.00 C ATOM 432 OE1 GLU A 333 8.941 27.280 -4.140 1.00 0.00 O ATOM 433 OE2 GLU A 333 8.365 29.321 -3.615 1.00 0.00 O ATOM 0 H GLU A 333 9.996 25.900 -0.368 1.00 0.00 H new ATOM 0 HA GLU A 333 11.954 27.725 0.228 1.00 0.00 H new ATOM 0 HB2 GLU A 333 10.923 29.002 -1.728 1.00 0.00 H new ATOM 0 HB3 GLU A 333 11.142 27.295 -2.056 1.00 0.00 H new ATOM 0 HG2 GLU A 333 8.734 26.876 -1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 333 8.501 28.568 -1.199 1.00 0.00 H new ATOM 440 N LYS A 334 9.027 28.827 1.231 1.00 0.00 N ATOM 441 CA LYS A 334 8.290 29.887 1.934 1.00 0.00 C ATOM 442 C LYS A 334 7.937 29.480 3.376 1.00 0.00 C ATOM 443 O LYS A 334 7.136 30.159 4.025 1.00 0.00 O ATOM 444 CB LYS A 334 7.016 30.263 1.122 1.00 0.00 C ATOM 445 CG LYS A 334 7.312 31.023 -0.196 1.00 0.00 C ATOM 446 CD LYS A 334 6.030 31.578 -0.869 1.00 0.00 C ATOM 447 CE LYS A 334 5.116 30.480 -1.429 1.00 0.00 C ATOM 448 NZ LYS A 334 5.737 29.782 -2.580 1.00 0.00 N ATOM 0 H LYS A 334 8.457 28.007 1.022 1.00 0.00 H new ATOM 0 HA LYS A 334 8.934 30.764 2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 334 6.464 29.352 0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 334 6.368 30.878 1.746 1.00 0.00 H new ATOM 0 HG2 LYS A 334 7.995 31.847 0.010 1.00 0.00 H new ATOM 0 HG3 LYS A 334 7.821 30.354 -0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 334 5.473 32.169 -0.142 1.00 0.00 H new ATOM 0 HD3 LYS A 334 6.315 32.252 -1.677 1.00 0.00 H new ATOM 0 HE2 LYS A 334 4.892 29.758 -0.644 1.00 0.00 H new ATOM 0 HE3 LYS A 334 4.168 30.919 -1.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 5.638 28.754 -2.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 5.263 30.073 -3.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 6.746 30.029 -2.632 1.00 0.00 H new ATOM 462 N GLN A 335 8.551 28.390 3.882 1.00 0.00 N ATOM 463 CA GLN A 335 8.370 27.950 5.278 1.00 0.00 C ATOM 464 C GLN A 335 9.586 28.368 6.112 1.00 0.00 C ATOM 465 O GLN A 335 10.670 27.804 5.971 1.00 0.00 O ATOM 466 CB GLN A 335 8.154 26.415 5.381 1.00 0.00 C ATOM 467 CG GLN A 335 7.000 25.885 4.519 1.00 0.00 C ATOM 468 CD GLN A 335 6.566 24.457 4.853 1.00 0.00 C ATOM 469 OE1 GLN A 335 7.335 23.651 5.372 1.00 0.00 O ATOM 470 NE2 GLN A 335 5.339 24.123 4.505 1.00 0.00 N ATOM 0 H GLN A 335 9.179 27.797 3.340 1.00 0.00 H new ATOM 0 HA GLN A 335 7.473 28.432 5.666 1.00 0.00 H new ATOM 0 HB2 GLN A 335 9.074 25.909 5.088 1.00 0.00 H new ATOM 0 HB3 GLN A 335 7.965 26.155 6.422 1.00 0.00 H new ATOM 0 HG2 GLN A 335 6.143 26.548 4.633 1.00 0.00 H new ATOM 0 HG3 GLN A 335 7.297 25.926 3.471 1.00 0.00 H new ATOM 0 HE21 GLN A 335 4.724 24.815 4.076 1.00 0.00 H new ATOM 0 HE22 GLN A 335 5.004 23.173 4.665 1.00 0.00 H new ATOM 479 N LEU A 336 9.400 29.399 6.937 1.00 0.00 N ATOM 480 CA LEU A 336 10.388 29.845 7.922 1.00 0.00 C ATOM 481 C LEU A 336 10.309 28.952 9.171 1.00 0.00 C ATOM 482 O LEU A 336 9.283 28.924 9.858 1.00 0.00 O ATOM 483 CB LEU A 336 10.113 31.329 8.278 1.00 0.00 C ATOM 484 CG LEU A 336 10.375 32.346 7.130 1.00 0.00 C ATOM 485 CD1 LEU A 336 9.804 33.742 7.455 1.00 0.00 C ATOM 486 CD2 LEU A 336 11.882 32.431 6.813 1.00 0.00 C ATOM 0 H LEU A 336 8.546 29.957 6.940 1.00 0.00 H new ATOM 0 HA LEU A 336 11.394 29.765 7.510 1.00 0.00 H new ATOM 0 HB2 LEU A 336 9.074 31.423 8.595 1.00 0.00 H new ATOM 0 HB3 LEU A 336 10.733 31.602 9.132 1.00 0.00 H new ATOM 0 HG LEU A 336 9.853 31.981 6.245 1.00 0.00 H new ATOM 0 HD11 LEU A 336 10.009 34.421 6.627 1.00 0.00 H new ATOM 0 HD12 LEU A 336 8.727 33.669 7.606 1.00 0.00 H new ATOM 0 HD13 LEU A 336 10.272 34.124 8.362 1.00 0.00 H new ATOM 0 HD21 LEU A 336 12.045 33.147 6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 336 12.423 32.755 7.702 1.00 0.00 H new ATOM 0 HD23 LEU A 336 12.245 31.450 6.505 1.00 0.00 H new ATOM 498 N LEU A 337 11.397 28.225 9.455 1.00 0.00 N ATOM 499 CA LEU A 337 11.471 27.305 10.602 1.00 0.00 C ATOM 500 C LEU A 337 11.945 28.084 11.838 1.00 0.00 C ATOM 501 O LEU A 337 13.099 28.532 11.895 1.00 0.00 O ATOM 502 CB LEU A 337 12.431 26.096 10.332 1.00 0.00 C ATOM 503 CG LEU A 337 11.983 25.056 9.250 1.00 0.00 C ATOM 504 CD1 LEU A 337 12.068 25.624 7.819 1.00 0.00 C ATOM 505 CD2 LEU A 337 12.785 23.735 9.372 1.00 0.00 C ATOM 0 H LEU A 337 12.251 28.256 8.898 1.00 0.00 H new ATOM 0 HA LEU A 337 10.476 26.893 10.770 1.00 0.00 H new ATOM 0 HB2 LEU A 337 13.402 26.494 10.037 1.00 0.00 H new ATOM 0 HB3 LEU A 337 12.577 25.564 11.272 1.00 0.00 H new ATOM 0 HG LEU A 337 10.933 24.836 9.444 1.00 0.00 H new ATOM 0 HD11 LEU A 337 11.747 24.864 7.106 1.00 0.00 H new ATOM 0 HD12 LEU A 337 11.421 26.497 7.735 1.00 0.00 H new ATOM 0 HD13 LEU A 337 13.097 25.913 7.603 1.00 0.00 H new ATOM 0 HD21 LEU A 337 12.450 23.034 8.607 1.00 0.00 H new ATOM 0 HD22 LEU A 337 13.847 23.940 9.236 1.00 0.00 H new ATOM 0 HD23 LEU A 337 12.622 23.300 10.358 1.00 0.00 H new ATOM 517 N CYS A 338 11.025 28.274 12.798 1.00 0.00 N ATOM 518 CA CYS A 338 11.317 28.929 14.080 1.00 0.00 C ATOM 519 C CYS A 338 12.210 28.016 14.922 1.00 0.00 C ATOM 520 O CYS A 338 11.805 26.887 15.235 1.00 0.00 O ATOM 521 CB CYS A 338 10.008 29.227 14.834 1.00 0.00 C ATOM 522 SG CYS A 338 10.158 30.436 16.179 1.00 0.00 S ATOM 0 H CYS A 338 10.054 27.976 12.704 1.00 0.00 H new ATOM 0 HA CYS A 338 11.833 29.871 13.894 1.00 0.00 H new ATOM 0 HB2 CYS A 338 9.269 29.590 14.120 1.00 0.00 H new ATOM 0 HB3 CYS A 338 9.622 28.294 15.245 1.00 0.00 H new ATOM 0 HG CYS A 338 9.940 29.848 17.318 1.00 0.00 H new ATOM 527 N ASP A 339 13.403 28.517 15.265 1.00 0.00 N ATOM 528 CA ASP A 339 14.461 27.750 15.957 1.00 0.00 C ATOM 529 C ASP A 339 13.945 27.048 17.241 1.00 0.00 C ATOM 530 O ASP A 339 13.892 25.816 17.306 1.00 0.00 O ATOM 531 CB ASP A 339 15.638 28.707 16.294 1.00 0.00 C ATOM 532 CG ASP A 339 16.754 28.044 17.131 1.00 0.00 C ATOM 533 OD1 ASP A 339 16.803 28.262 18.365 1.00 0.00 O ATOM 534 OD2 ASP A 339 17.572 27.294 16.561 1.00 0.00 O ATOM 0 H ASP A 339 13.670 29.482 15.069 1.00 0.00 H new ATOM 0 HA ASP A 339 14.798 26.958 15.288 1.00 0.00 H new ATOM 0 HB2 ASP A 339 16.067 29.083 15.365 1.00 0.00 H new ATOM 0 HB3 ASP A 339 15.251 29.568 16.838 1.00 0.00 H new ATOM 539 N GLU A 340 13.533 27.854 18.219 1.00 0.00 N ATOM 540 CA GLU A 340 13.177 27.393 19.582 1.00 0.00 C ATOM 541 C GLU A 340 11.830 26.610 19.615 1.00 0.00 C ATOM 542 O GLU A 340 11.579 25.831 20.534 1.00 0.00 O ATOM 543 CB GLU A 340 13.178 28.638 20.536 1.00 0.00 C ATOM 544 CG GLU A 340 11.919 29.538 20.527 1.00 0.00 C ATOM 545 CD GLU A 340 11.443 29.927 19.119 1.00 0.00 C ATOM 546 OE1 GLU A 340 12.200 30.548 18.371 1.00 0.00 O ATOM 547 OE2 GLU A 340 10.311 29.572 18.740 1.00 0.00 O ATOM 0 H GLU A 340 13.432 28.862 18.096 1.00 0.00 H new ATOM 0 HA GLU A 340 13.920 26.675 19.928 1.00 0.00 H new ATOM 0 HB2 GLU A 340 13.332 28.283 21.555 1.00 0.00 H new ATOM 0 HB3 GLU A 340 14.038 29.258 20.282 1.00 0.00 H new ATOM 0 HG2 GLU A 340 11.111 29.020 21.043 1.00 0.00 H new ATOM 0 HG3 GLU A 340 12.129 30.446 21.093 1.00 0.00 H new ATOM 554 N CYS A 341 10.967 26.856 18.607 1.00 0.00 N ATOM 555 CA CYS A 341 9.697 26.103 18.401 1.00 0.00 C ATOM 556 C CYS A 341 9.970 24.756 17.724 1.00 0.00 C ATOM 557 O CYS A 341 9.198 23.804 17.900 1.00 0.00 O ATOM 558 CB CYS A 341 8.676 26.898 17.527 1.00 0.00 C ATOM 559 SG CYS A 341 7.798 28.249 18.374 1.00 0.00 S ATOM 0 H CYS A 341 11.125 27.582 17.908 1.00 0.00 H new ATOM 0 HA CYS A 341 9.266 25.948 19.390 1.00 0.00 H new ATOM 0 HB2 CYS A 341 9.206 27.314 16.670 1.00 0.00 H new ATOM 0 HB3 CYS A 341 7.938 26.198 17.136 1.00 0.00 H new ATOM 0 HG CYS A 341 8.644 29.183 18.693 1.00 0.00 H new ATOM 564 N ASP A 342 11.057 24.719 16.914 1.00 0.00 N ATOM 565 CA ASP A 342 11.438 23.564 16.078 1.00 0.00 C ATOM 566 C ASP A 342 10.317 23.254 15.053 1.00 0.00 C ATOM 567 O ASP A 342 10.025 22.100 14.738 1.00 0.00 O ATOM 568 CB ASP A 342 11.790 22.338 16.987 1.00 0.00 C ATOM 569 CG ASP A 342 12.390 21.128 16.241 1.00 0.00 C ATOM 570 OD1 ASP A 342 11.685 20.101 16.067 1.00 0.00 O ATOM 571 OD2 ASP A 342 13.567 21.196 15.837 1.00 0.00 O ATOM 0 H ASP A 342 11.700 25.505 16.825 1.00 0.00 H new ATOM 0 HA ASP A 342 12.333 23.801 15.503 1.00 0.00 H new ATOM 0 HB2 ASP A 342 12.496 22.662 17.751 1.00 0.00 H new ATOM 0 HB3 ASP A 342 10.886 22.016 17.504 1.00 0.00 H new ATOM 576 N MET A 343 9.690 24.322 14.523 1.00 0.00 N ATOM 577 CA MET A 343 8.480 24.190 13.695 1.00 0.00 C ATOM 578 C MET A 343 8.526 25.148 12.498 1.00 0.00 C ATOM 579 O MET A 343 8.857 26.332 12.659 1.00 0.00 O ATOM 580 CB MET A 343 7.225 24.464 14.570 1.00 0.00 C ATOM 581 CG MET A 343 5.906 23.991 13.953 1.00 0.00 C ATOM 582 SD MET A 343 5.921 22.220 13.576 1.00 0.00 S ATOM 583 CE MET A 343 6.394 21.487 15.154 1.00 0.00 C ATOM 0 H MET A 343 10.003 25.284 14.655 1.00 0.00 H new ATOM 0 HA MET A 343 8.429 23.175 13.302 1.00 0.00 H new ATOM 0 HB2 MET A 343 7.356 23.974 15.535 1.00 0.00 H new ATOM 0 HB3 MET A 343 7.158 25.535 14.762 1.00 0.00 H new ATOM 0 HG2 MET A 343 5.088 24.207 14.640 1.00 0.00 H new ATOM 0 HG3 MET A 343 5.712 24.553 13.039 1.00 0.00 H new ATOM 0 HE1 MET A 343 6.184 20.418 15.136 1.00 0.00 H new ATOM 0 HE2 MET A 343 7.459 21.644 15.324 1.00 0.00 H new ATOM 0 HE3 MET A 343 5.826 21.955 15.958 1.00 0.00 H new ATOM 593 N ALA A 344 8.186 24.616 11.311 1.00 0.00 N ATOM 594 CA ALA A 344 8.075 25.392 10.071 1.00 0.00 C ATOM 595 C ALA A 344 6.795 26.234 10.093 1.00 0.00 C ATOM 596 O ALA A 344 5.771 25.802 10.640 1.00 0.00 O ATOM 597 CB ALA A 344 8.096 24.450 8.849 1.00 0.00 C ATOM 0 H ALA A 344 7.979 23.625 11.188 1.00 0.00 H new ATOM 0 HA ALA A 344 8.928 26.066 9.994 1.00 0.00 H new ATOM 0 HB1 ALA A 344 8.013 25.038 7.935 1.00 0.00 H new ATOM 0 HB2 ALA A 344 9.031 23.891 8.837 1.00 0.00 H new ATOM 0 HB3 ALA A 344 7.258 23.755 8.911 1.00 0.00 H new ATOM 603 N PHE A 345 6.865 27.443 9.529 1.00 0.00 N ATOM 604 CA PHE A 345 5.724 28.364 9.431 1.00 0.00 C ATOM 605 C PHE A 345 5.789 29.082 8.081 1.00 0.00 C ATOM 606 O PHE A 345 6.780 29.753 7.800 1.00 0.00 O ATOM 607 CB PHE A 345 5.743 29.415 10.581 1.00 0.00 C ATOM 608 CG PHE A 345 5.646 28.834 11.989 1.00 0.00 C ATOM 609 CD1 PHE A 345 4.511 28.137 12.387 1.00 0.00 C ATOM 610 CD2 PHE A 345 6.679 28.987 12.909 1.00 0.00 C ATOM 611 CE1 PHE A 345 4.406 27.609 13.659 1.00 0.00 C ATOM 612 CE2 PHE A 345 6.572 28.459 14.182 1.00 0.00 C ATOM 613 CZ PHE A 345 5.438 27.770 14.555 1.00 0.00 C ATOM 0 H PHE A 345 7.723 27.816 9.123 1.00 0.00 H new ATOM 0 HA PHE A 345 4.801 27.790 9.517 1.00 0.00 H new ATOM 0 HB2 PHE A 345 6.662 29.996 10.507 1.00 0.00 H new ATOM 0 HB3 PHE A 345 4.915 30.108 10.433 1.00 0.00 H new ATOM 0 HD1 PHE A 345 3.697 28.006 11.689 1.00 0.00 H new ATOM 0 HD2 PHE A 345 7.573 29.523 12.626 1.00 0.00 H new ATOM 0 HE1 PHE A 345 3.516 27.071 13.950 1.00 0.00 H new ATOM 0 HE2 PHE A 345 7.380 28.587 14.887 1.00 0.00 H new ATOM 0 HZ PHE A 345 5.359 27.357 15.550 1.00 0.00 H new ATOM 623 N HIS A 346 4.743 28.924 7.240 1.00 0.00 N ATOM 624 CA HIS A 346 4.622 29.675 5.967 1.00 0.00 C ATOM 625 C HIS A 346 4.630 31.183 6.210 1.00 0.00 C ATOM 626 O HIS A 346 4.212 31.639 7.277 1.00 0.00 O ATOM 627 CB HIS A 346 3.314 29.323 5.216 1.00 0.00 C ATOM 628 CG HIS A 346 3.321 28.010 4.499 1.00 0.00 C ATOM 629 ND1 HIS A 346 2.463 27.005 4.848 1.00 0.00 N ATOM 630 CD2 HIS A 346 4.002 27.645 3.389 1.00 0.00 C ATOM 631 CE1 HIS A 346 2.628 26.063 3.949 1.00 0.00 C ATOM 632 NE2 HIS A 346 3.549 26.408 3.043 1.00 0.00 N ATOM 0 H HIS A 346 3.969 28.284 7.418 1.00 0.00 H new ATOM 0 HA HIS A 346 5.482 29.387 5.362 1.00 0.00 H new ATOM 0 HB2 HIS A 346 2.492 29.323 5.932 1.00 0.00 H new ATOM 0 HB3 HIS A 346 3.106 30.112 4.493 1.00 0.00 H new ATOM 0 HD2 HIS A 346 4.758 28.222 2.877 1.00 0.00 H new ATOM 0 HE1 HIS A 346 2.088 25.128 3.942 1.00 0.00 H new ATOM 0 HE2 HIS A 346 3.854 25.851 2.245 1.00 0.00 H new ATOM 640 N LEU A 347 5.054 31.927 5.185 1.00 0.00 N ATOM 641 CA LEU A 347 4.983 33.392 5.160 1.00 0.00 C ATOM 642 C LEU A 347 3.535 33.867 5.434 1.00 0.00 C ATOM 643 O LEU A 347 3.304 34.730 6.277 1.00 0.00 O ATOM 644 CB LEU A 347 5.468 33.905 3.781 1.00 0.00 C ATOM 645 CG LEU A 347 6.925 33.532 3.358 1.00 0.00 C ATOM 646 CD1 LEU A 347 7.252 34.060 1.945 1.00 0.00 C ATOM 647 CD2 LEU A 347 7.960 34.026 4.389 1.00 0.00 C ATOM 0 H LEU A 347 5.461 31.526 4.340 1.00 0.00 H new ATOM 0 HA LEU A 347 5.627 33.797 5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 347 4.787 33.526 3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 347 5.381 34.991 3.774 1.00 0.00 H new ATOM 0 HG LEU A 347 6.985 32.444 3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 347 8.273 33.784 1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 347 6.560 33.624 1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 347 7.155 35.146 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 347 8.962 33.748 4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 347 7.895 35.110 4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 347 7.756 33.569 5.357 1.00 0.00 H new ATOM 659 N TYR A 348 2.565 33.220 4.754 1.00 0.00 N ATOM 660 CA TYR A 348 1.122 33.541 4.874 1.00 0.00 C ATOM 661 C TYR A 348 0.457 32.837 6.092 1.00 0.00 C ATOM 662 O TYR A 348 -0.759 32.915 6.266 1.00 0.00 O ATOM 663 CB TYR A 348 0.389 33.194 3.542 1.00 0.00 C ATOM 664 CG TYR A 348 0.613 31.758 3.011 1.00 0.00 C ATOM 665 CD1 TYR A 348 -0.207 30.695 3.408 1.00 0.00 C ATOM 666 CD2 TYR A 348 1.640 31.479 2.099 1.00 0.00 C ATOM 667 CE1 TYR A 348 -0.011 29.416 2.917 1.00 0.00 C ATOM 668 CE2 TYR A 348 1.837 30.201 1.609 1.00 0.00 C ATOM 669 CZ TYR A 348 1.008 29.175 2.018 1.00 0.00 C ATOM 670 OH TYR A 348 1.208 27.900 1.528 1.00 0.00 O ATOM 0 H TYR A 348 2.758 32.458 4.104 1.00 0.00 H new ATOM 0 HA TYR A 348 1.031 34.612 5.057 1.00 0.00 H new ATOM 0 HB2 TYR A 348 -0.681 33.346 3.686 1.00 0.00 H new ATOM 0 HB3 TYR A 348 0.711 33.900 2.776 1.00 0.00 H new ATOM 0 HD1 TYR A 348 -1.007 30.876 4.110 1.00 0.00 H new ATOM 0 HD2 TYR A 348 2.290 32.277 1.773 1.00 0.00 H new ATOM 0 HE1 TYR A 348 -0.654 28.609 3.236 1.00 0.00 H new ATOM 0 HE2 TYR A 348 2.636 30.006 0.909 1.00 0.00 H new ATOM 0 HH TYR A 348 1.965 27.904 0.906 1.00 0.00 H new ATOM 680 N CYS A 349 1.265 32.152 6.927 1.00 0.00 N ATOM 681 CA CYS A 349 0.803 31.532 8.196 1.00 0.00 C ATOM 682 C CYS A 349 1.393 32.290 9.407 1.00 0.00 C ATOM 683 O CYS A 349 1.484 31.741 10.512 1.00 0.00 O ATOM 684 CB CYS A 349 1.209 30.037 8.240 1.00 0.00 C ATOM 685 SG CYS A 349 0.368 28.982 7.011 1.00 0.00 S ATOM 0 H CYS A 349 2.258 32.010 6.744 1.00 0.00 H new ATOM 0 HA CYS A 349 -0.284 31.597 8.244 1.00 0.00 H new ATOM 0 HB2 CYS A 349 2.286 29.962 8.087 1.00 0.00 H new ATOM 0 HB3 CYS A 349 1.001 29.647 9.236 1.00 0.00 H new ATOM 0 HG CYS A 349 0.460 29.528 5.835 1.00 0.00 H new ATOM 690 N LEU A 350 1.781 33.560 9.180 1.00 0.00 N ATOM 691 CA LEU A 350 2.390 34.437 10.206 1.00 0.00 C ATOM 692 C LEU A 350 1.439 35.584 10.602 1.00 0.00 C ATOM 693 O LEU A 350 0.292 35.634 10.145 1.00 0.00 O ATOM 694 CB LEU A 350 3.741 34.989 9.677 1.00 0.00 C ATOM 695 CG LEU A 350 4.838 33.923 9.384 1.00 0.00 C ATOM 696 CD1 LEU A 350 6.109 34.567 8.792 1.00 0.00 C ATOM 697 CD2 LEU A 350 5.150 33.084 10.645 1.00 0.00 C ATOM 0 H LEU A 350 1.681 34.013 8.271 1.00 0.00 H new ATOM 0 HA LEU A 350 2.573 33.849 11.106 1.00 0.00 H new ATOM 0 HB2 LEU A 350 3.550 35.548 8.761 1.00 0.00 H new ATOM 0 HB3 LEU A 350 4.134 35.697 10.407 1.00 0.00 H new ATOM 0 HG LEU A 350 4.447 33.241 8.629 1.00 0.00 H new ATOM 0 HD11 LEU A 350 6.853 33.794 8.600 1.00 0.00 H new ATOM 0 HD12 LEU A 350 5.860 35.071 7.858 1.00 0.00 H new ATOM 0 HD13 LEU A 350 6.513 35.292 9.499 1.00 0.00 H new ATOM 0 HD21 LEU A 350 5.919 32.348 10.411 1.00 0.00 H new ATOM 0 HD22 LEU A 350 5.505 33.740 11.440 1.00 0.00 H new ATOM 0 HD23 LEU A 350 4.246 32.572 10.974 1.00 0.00 H new ATOM 709 N LYS A 351 1.936 36.506 11.456 1.00 0.00 N ATOM 710 CA LYS A 351 1.139 37.623 11.989 1.00 0.00 C ATOM 711 C LYS A 351 2.084 38.805 12.328 1.00 0.00 C ATOM 712 O LYS A 351 2.702 38.795 13.399 1.00 0.00 O ATOM 713 CB LYS A 351 0.338 37.159 13.247 1.00 0.00 C ATOM 714 CG LYS A 351 -0.817 38.096 13.656 1.00 0.00 C ATOM 715 CD LYS A 351 -1.927 38.145 12.582 1.00 0.00 C ATOM 716 CE LYS A 351 -3.139 38.984 13.008 1.00 0.00 C ATOM 717 NZ LYS A 351 -4.231 38.929 12.002 1.00 0.00 N ATOM 0 H LYS A 351 2.899 36.493 11.792 1.00 0.00 H new ATOM 0 HA LYS A 351 0.419 37.955 11.241 1.00 0.00 H new ATOM 0 HB2 LYS A 351 -0.068 36.166 13.057 1.00 0.00 H new ATOM 0 HB3 LYS A 351 1.027 37.066 14.086 1.00 0.00 H new ATOM 0 HG2 LYS A 351 -1.241 37.758 14.601 1.00 0.00 H new ATOM 0 HG3 LYS A 351 -0.428 39.101 13.822 1.00 0.00 H new ATOM 0 HD2 LYS A 351 -1.515 38.555 11.660 1.00 0.00 H new ATOM 0 HD3 LYS A 351 -2.255 37.129 12.360 1.00 0.00 H new ATOM 0 HE2 LYS A 351 -3.511 38.624 13.967 1.00 0.00 H new ATOM 0 HE3 LYS A 351 -2.831 40.019 13.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 -5.031 39.508 12.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 -3.884 39.296 11.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 -4.543 37.944 11.882 1.00 0.00 H new ATOM 731 N PRO A 352 2.267 39.833 11.424 1.00 0.00 N ATOM 732 CA PRO A 352 1.598 39.946 10.101 1.00 0.00 C ATOM 733 C PRO A 352 2.219 38.993 9.038 1.00 0.00 C ATOM 734 O PRO A 352 3.428 38.737 9.072 1.00 0.00 O ATOM 735 CB PRO A 352 1.797 41.453 9.719 1.00 0.00 C ATOM 736 CG PRO A 352 2.479 42.093 10.902 1.00 0.00 C ATOM 737 CD PRO A 352 3.174 40.980 11.636 1.00 0.00 C ATOM 0 HA PRO A 352 0.549 39.652 10.140 1.00 0.00 H new ATOM 0 HB2 PRO A 352 2.403 41.551 8.819 1.00 0.00 H new ATOM 0 HB3 PRO A 352 0.840 41.933 9.513 1.00 0.00 H new ATOM 0 HG2 PRO A 352 3.192 42.851 10.578 1.00 0.00 H new ATOM 0 HG3 PRO A 352 1.755 42.592 11.546 1.00 0.00 H new ATOM 0 HD2 PRO A 352 4.169 40.789 11.233 1.00 0.00 H new ATOM 0 HD3 PRO A 352 3.297 41.208 12.695 1.00 0.00 H new ATOM 745 N PRO A 353 1.393 38.451 8.085 1.00 0.00 N ATOM 746 CA PRO A 353 1.861 37.462 7.087 1.00 0.00 C ATOM 747 C PRO A 353 2.786 38.098 6.027 1.00 0.00 C ATOM 748 O PRO A 353 2.440 39.106 5.412 1.00 0.00 O ATOM 749 CB PRO A 353 0.542 36.946 6.464 1.00 0.00 C ATOM 750 CG PRO A 353 -0.384 38.116 6.565 1.00 0.00 C ATOM 751 CD PRO A 353 -0.049 38.770 7.890 1.00 0.00 C ATOM 0 HA PRO A 353 2.466 36.670 7.528 1.00 0.00 H new ATOM 0 HB2 PRO A 353 0.683 36.636 5.429 1.00 0.00 H new ATOM 0 HB3 PRO A 353 0.155 36.082 7.005 1.00 0.00 H new ATOM 0 HG2 PRO A 353 -0.237 38.808 5.736 1.00 0.00 H new ATOM 0 HG3 PRO A 353 -1.426 37.798 6.534 1.00 0.00 H new ATOM 0 HD2 PRO A 353 -0.221 39.846 7.861 1.00 0.00 H new ATOM 0 HD3 PRO A 353 -0.661 38.372 8.700 1.00 0.00 H new ATOM 759 N LEU A 354 3.962 37.497 5.834 1.00 0.00 N ATOM 760 CA LEU A 354 4.971 37.995 4.890 1.00 0.00 C ATOM 761 C LEU A 354 4.633 37.587 3.446 1.00 0.00 C ATOM 762 O LEU A 354 3.937 36.596 3.210 1.00 0.00 O ATOM 763 CB LEU A 354 6.375 37.469 5.290 1.00 0.00 C ATOM 764 CG LEU A 354 6.842 37.824 6.735 1.00 0.00 C ATOM 765 CD1 LEU A 354 8.228 37.224 7.034 1.00 0.00 C ATOM 766 CD2 LEU A 354 6.826 39.350 6.982 1.00 0.00 C ATOM 0 H LEU A 354 4.244 36.650 6.327 1.00 0.00 H new ATOM 0 HA LEU A 354 4.973 39.084 4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 354 6.381 36.384 5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 354 7.106 37.864 4.584 1.00 0.00 H new ATOM 0 HG LEU A 354 6.128 37.377 7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 354 8.528 37.488 8.048 1.00 0.00 H new ATOM 0 HD12 LEU A 354 8.183 36.139 6.940 1.00 0.00 H new ATOM 0 HD13 LEU A 354 8.956 37.620 6.326 1.00 0.00 H new ATOM 0 HD21 LEU A 354 7.158 39.557 7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 354 7.496 39.840 6.275 1.00 0.00 H new ATOM 0 HD23 LEU A 354 5.814 39.730 6.846 1.00 0.00 H new ATOM 778 N THR A 355 5.114 38.383 2.493 1.00 0.00 N ATOM 779 CA THR A 355 5.019 38.096 1.049 1.00 0.00 C ATOM 780 C THR A 355 6.390 37.674 0.485 1.00 0.00 C ATOM 781 O THR A 355 6.502 37.311 -0.692 1.00 0.00 O ATOM 782 CB THR A 355 4.477 39.350 0.288 1.00 0.00 C ATOM 783 OG1 THR A 355 5.188 40.525 0.726 1.00 0.00 O ATOM 784 CG2 THR A 355 2.969 39.551 0.506 1.00 0.00 C ATOM 0 H THR A 355 5.590 39.262 2.698 1.00 0.00 H new ATOM 0 HA THR A 355 4.324 37.269 0.905 1.00 0.00 H new ATOM 0 HB THR A 355 4.639 39.185 -0.777 1.00 0.00 H new ATOM 0 HG1 THR A 355 4.849 41.310 0.247 1.00 0.00 H new ATOM 0 HG21 THR A 355 2.637 40.433 -0.041 1.00 0.00 H new ATOM 0 HG22 THR A 355 2.429 38.676 0.145 1.00 0.00 H new ATOM 0 HG23 THR A 355 2.770 39.687 1.569 1.00 0.00 H new ATOM 792 N SER A 356 7.426 37.706 1.341 1.00 0.00 N ATOM 793 CA SER A 356 8.796 37.321 0.971 1.00 0.00 C ATOM 794 C SER A 356 9.582 36.890 2.223 1.00 0.00 C ATOM 795 O SER A 356 9.199 37.234 3.352 1.00 0.00 O ATOM 796 CB SER A 356 9.499 38.498 0.256 1.00 0.00 C ATOM 797 OG SER A 356 9.457 39.675 1.046 1.00 0.00 O ATOM 0 H SER A 356 7.334 38.001 2.313 1.00 0.00 H new ATOM 0 HA SER A 356 8.758 36.475 0.285 1.00 0.00 H new ATOM 0 HB2 SER A 356 10.536 38.234 0.047 1.00 0.00 H new ATOM 0 HB3 SER A 356 9.018 38.684 -0.704 1.00 0.00 H new ATOM 0 HG SER A 356 9.910 40.403 0.572 1.00 0.00 H new ATOM 803 N VAL A 357 10.663 36.118 2.010 1.00 0.00 N ATOM 804 CA VAL A 357 11.589 35.706 3.085 1.00 0.00 C ATOM 805 C VAL A 357 12.511 36.900 3.461 1.00 0.00 C ATOM 806 O VAL A 357 13.081 37.538 2.565 1.00 0.00 O ATOM 807 CB VAL A 357 12.438 34.430 2.672 1.00 0.00 C ATOM 808 CG1 VAL A 357 13.139 34.614 1.306 1.00 0.00 C ATOM 809 CG2 VAL A 357 13.463 34.039 3.770 1.00 0.00 C ATOM 0 H VAL A 357 10.921 35.762 1.090 1.00 0.00 H new ATOM 0 HA VAL A 357 11.002 35.422 3.958 1.00 0.00 H new ATOM 0 HB VAL A 357 11.729 33.608 2.569 1.00 0.00 H new ATOM 0 HG11 VAL A 357 13.708 33.716 1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 357 12.390 34.787 0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 357 13.814 35.469 1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 357 14.024 33.161 3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 357 14.151 34.868 3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 357 12.935 33.813 4.697 1.00 0.00 H new ATOM 819 N PRO A 358 12.632 37.256 4.787 1.00 0.00 N ATOM 820 CA PRO A 358 13.502 38.372 5.246 1.00 0.00 C ATOM 821 C PRO A 358 15.009 38.084 5.021 1.00 0.00 C ATOM 822 O PRO A 358 15.413 36.919 4.990 1.00 0.00 O ATOM 823 CB PRO A 358 13.179 38.492 6.771 1.00 0.00 C ATOM 824 CG PRO A 358 11.904 37.726 6.961 1.00 0.00 C ATOM 825 CD PRO A 358 11.935 36.623 5.936 1.00 0.00 C ATOM 0 HA PRO A 358 13.309 39.289 4.689 1.00 0.00 H new ATOM 0 HB2 PRO A 358 13.983 38.076 7.378 1.00 0.00 H new ATOM 0 HB3 PRO A 358 13.061 39.534 7.068 1.00 0.00 H new ATOM 0 HG2 PRO A 358 11.838 37.321 7.971 1.00 0.00 H new ATOM 0 HG3 PRO A 358 11.036 38.369 6.818 1.00 0.00 H new ATOM 0 HD2 PRO A 358 12.472 35.747 6.301 1.00 0.00 H new ATOM 0 HD3 PRO A 358 10.931 36.293 5.668 1.00 0.00 H new ATOM 833 N PRO A 359 15.873 39.145 4.885 1.00 0.00 N ATOM 834 CA PRO A 359 17.348 38.974 4.816 1.00 0.00 C ATOM 835 C PRO A 359 17.997 38.894 6.222 1.00 0.00 C ATOM 836 O PRO A 359 19.232 38.865 6.344 1.00 0.00 O ATOM 837 CB PRO A 359 17.787 40.247 4.064 1.00 0.00 C ATOM 838 CG PRO A 359 16.827 41.300 4.542 1.00 0.00 C ATOM 839 CD PRO A 359 15.495 40.587 4.765 1.00 0.00 C ATOM 0 HA PRO A 359 17.650 38.046 4.330 1.00 0.00 H new ATOM 0 HB2 PRO A 359 18.818 40.512 4.296 1.00 0.00 H new ATOM 0 HB3 PRO A 359 17.728 40.113 2.984 1.00 0.00 H new ATOM 0 HG2 PRO A 359 17.181 41.761 5.464 1.00 0.00 H new ATOM 0 HG3 PRO A 359 16.724 42.097 3.806 1.00 0.00 H new ATOM 0 HD2 PRO A 359 14.996 40.945 5.666 1.00 0.00 H new ATOM 0 HD3 PRO A 359 14.810 40.752 3.934 1.00 0.00 H new ATOM 847 N GLU A 360 17.141 38.866 7.263 1.00 0.00 N ATOM 848 CA GLU A 360 17.561 38.829 8.671 1.00 0.00 C ATOM 849 C GLU A 360 18.244 37.483 9.005 1.00 0.00 C ATOM 850 O GLU A 360 17.723 36.431 8.623 1.00 0.00 O ATOM 851 CB GLU A 360 16.322 39.023 9.586 1.00 0.00 C ATOM 852 CG GLU A 360 15.519 40.312 9.321 1.00 0.00 C ATOM 853 CD GLU A 360 14.302 40.470 10.250 1.00 0.00 C ATOM 854 OE1 GLU A 360 13.171 40.143 9.832 1.00 0.00 O ATOM 855 OE2 GLU A 360 14.474 40.919 11.405 1.00 0.00 O ATOM 0 H GLU A 360 16.128 38.869 7.144 1.00 0.00 H new ATOM 0 HA GLU A 360 18.277 39.633 8.841 1.00 0.00 H new ATOM 0 HB2 GLU A 360 15.659 38.167 9.463 1.00 0.00 H new ATOM 0 HB3 GLU A 360 16.652 39.024 10.625 1.00 0.00 H new ATOM 0 HG2 GLU A 360 16.176 41.173 9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 360 15.180 40.315 8.285 1.00 0.00 H new ATOM 862 N PRO A 361 19.413 37.495 9.723 1.00 0.00 N ATOM 863 CA PRO A 361 20.112 36.253 10.142 1.00 0.00 C ATOM 864 C PRO A 361 19.312 35.501 11.229 1.00 0.00 C ATOM 865 O PRO A 361 19.332 34.268 11.298 1.00 0.00 O ATOM 866 CB PRO A 361 21.471 36.774 10.669 1.00 0.00 C ATOM 867 CG PRO A 361 21.191 38.178 11.118 1.00 0.00 C ATOM 868 CD PRO A 361 20.140 38.713 10.175 1.00 0.00 C ATOM 0 HA PRO A 361 20.229 35.528 9.337 1.00 0.00 H new ATOM 0 HB2 PRO A 361 21.838 36.161 11.492 1.00 0.00 H new ATOM 0 HB3 PRO A 361 22.233 36.752 9.890 1.00 0.00 H new ATOM 0 HG2 PRO A 361 20.836 38.195 12.148 1.00 0.00 H new ATOM 0 HG3 PRO A 361 22.094 38.787 11.082 1.00 0.00 H new ATOM 0 HD2 PRO A 361 19.473 39.414 10.676 1.00 0.00 H new ATOM 0 HD3 PRO A 361 20.589 39.245 9.336 1.00 0.00 H new ATOM 876 N GLU A 362 18.620 36.277 12.072 1.00 0.00 N ATOM 877 CA GLU A 362 17.694 35.769 13.095 1.00 0.00 C ATOM 878 C GLU A 362 16.278 35.688 12.520 1.00 0.00 C ATOM 879 O GLU A 362 15.932 36.450 11.609 1.00 0.00 O ATOM 880 CB GLU A 362 17.682 36.714 14.335 1.00 0.00 C ATOM 881 CG GLU A 362 18.844 36.540 15.322 1.00 0.00 C ATOM 882 CD GLU A 362 20.237 36.785 14.712 1.00 0.00 C ATOM 883 OE1 GLU A 362 20.647 37.956 14.588 1.00 0.00 O ATOM 884 OE2 GLU A 362 20.929 35.811 14.353 1.00 0.00 O ATOM 0 H GLU A 362 18.688 37.295 12.063 1.00 0.00 H new ATOM 0 HA GLU A 362 18.029 34.777 13.400 1.00 0.00 H new ATOM 0 HB2 GLU A 362 17.682 37.745 13.982 1.00 0.00 H new ATOM 0 HB3 GLU A 362 16.747 36.562 14.874 1.00 0.00 H new ATOM 0 HG2 GLU A 362 18.701 37.225 16.158 1.00 0.00 H new ATOM 0 HG3 GLU A 362 18.811 35.529 15.729 1.00 0.00 H new ATOM 891 N TRP A 363 15.474 34.770 13.069 1.00 0.00 N ATOM 892 CA TRP A 363 14.029 34.759 12.861 1.00 0.00 C ATOM 893 C TRP A 363 13.348 33.901 13.945 1.00 0.00 C ATOM 894 O TRP A 363 13.721 32.746 14.176 1.00 0.00 O ATOM 895 CB TRP A 363 13.631 34.274 11.433 1.00 0.00 C ATOM 896 CG TRP A 363 12.154 34.456 11.142 1.00 0.00 C ATOM 897 CD1 TRP A 363 11.545 35.575 10.632 1.00 0.00 C ATOM 898 CD2 TRP A 363 11.106 33.508 11.382 1.00 0.00 C ATOM 899 NE1 TRP A 363 10.196 35.368 10.535 1.00 0.00 N ATOM 900 CE2 TRP A 363 9.905 34.112 10.991 1.00 0.00 C ATOM 901 CE3 TRP A 363 11.069 32.203 11.889 1.00 0.00 C ATOM 902 CZ2 TRP A 363 8.684 33.461 11.088 1.00 0.00 C ATOM 903 CZ3 TRP A 363 9.849 31.559 11.983 1.00 0.00 C ATOM 904 CH2 TRP A 363 8.671 32.188 11.588 1.00 0.00 C ATOM 0 H TRP A 363 15.810 34.016 13.669 1.00 0.00 H new ATOM 0 HA TRP A 363 13.679 35.788 12.944 1.00 0.00 H new ATOM 0 HB2 TRP A 363 14.213 34.823 10.692 1.00 0.00 H new ATOM 0 HB3 TRP A 363 13.891 33.221 11.326 1.00 0.00 H new ATOM 0 HD1 TRP A 363 12.055 36.484 10.349 1.00 0.00 H new ATOM 0 HE1 TRP A 363 9.517 36.042 10.180 1.00 0.00 H new ATOM 0 HE3 TRP A 363 11.977 31.709 12.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 363 7.770 33.945 10.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 363 9.809 30.551 12.369 1.00 0.00 H new ATOM 0 HH2 TRP A 363 7.732 31.662 11.678 1.00 0.00 H new ATOM 915 N TYR A 364 12.339 34.500 14.596 1.00 0.00 N ATOM 916 CA TYR A 364 11.509 33.881 15.645 1.00 0.00 C ATOM 917 C TYR A 364 10.044 34.271 15.341 1.00 0.00 C ATOM 918 O TYR A 364 9.777 35.434 15.041 1.00 0.00 O ATOM 919 CB TYR A 364 11.938 34.398 17.061 1.00 0.00 C ATOM 920 CG TYR A 364 13.441 34.217 17.394 1.00 0.00 C ATOM 921 CD1 TYR A 364 13.909 33.127 18.136 1.00 0.00 C ATOM 922 CD2 TYR A 364 14.397 35.137 16.942 1.00 0.00 C ATOM 923 CE1 TYR A 364 15.254 32.961 18.408 1.00 0.00 C ATOM 924 CE2 TYR A 364 15.739 34.975 17.216 1.00 0.00 C ATOM 925 CZ TYR A 364 16.163 33.886 17.947 1.00 0.00 C ATOM 926 OH TYR A 364 17.507 33.716 18.213 1.00 0.00 O ATOM 0 H TYR A 364 12.068 35.464 14.400 1.00 0.00 H new ATOM 0 HA TYR A 364 11.629 32.798 15.650 1.00 0.00 H new ATOM 0 HB2 TYR A 364 11.689 35.457 17.136 1.00 0.00 H new ATOM 0 HB3 TYR A 364 11.348 33.878 17.816 1.00 0.00 H new ATOM 0 HD1 TYR A 364 13.203 32.398 18.505 1.00 0.00 H new ATOM 0 HD2 TYR A 364 14.075 35.992 16.366 1.00 0.00 H new ATOM 0 HE1 TYR A 364 15.590 32.109 18.980 1.00 0.00 H new ATOM 0 HE2 TYR A 364 16.456 35.700 16.859 1.00 0.00 H new ATOM 0 HH TYR A 364 18.015 34.455 17.817 1.00 0.00 H new ATOM 936 N CYS A 365 9.106 33.303 15.418 1.00 0.00 N ATOM 937 CA CYS A 365 7.683 33.508 15.020 1.00 0.00 C ATOM 938 C CYS A 365 6.983 34.567 15.929 1.00 0.00 C ATOM 939 O CYS A 365 7.491 34.836 17.024 1.00 0.00 O ATOM 940 CB CYS A 365 6.911 32.160 15.057 1.00 0.00 C ATOM 941 SG CYS A 365 6.579 31.513 16.722 1.00 0.00 S ATOM 0 H CYS A 365 9.304 32.361 15.755 1.00 0.00 H new ATOM 0 HA CYS A 365 7.673 33.890 13.999 1.00 0.00 H new ATOM 0 HB2 CYS A 365 5.962 32.287 14.537 1.00 0.00 H new ATOM 0 HB3 CYS A 365 7.482 31.416 14.501 1.00 0.00 H new ATOM 0 HG CYS A 365 7.598 31.755 17.493 1.00 0.00 H new ATOM 946 N PRO A 366 5.838 35.204 15.460 1.00 0.00 N ATOM 947 CA PRO A 366 5.038 36.212 16.224 1.00 0.00 C ATOM 948 C PRO A 366 4.945 35.979 17.754 1.00 0.00 C ATOM 949 O PRO A 366 5.223 36.886 18.543 1.00 0.00 O ATOM 950 CB PRO A 366 3.642 36.084 15.570 1.00 0.00 C ATOM 951 CG PRO A 366 3.926 35.764 14.133 1.00 0.00 C ATOM 952 CD PRO A 366 5.259 35.036 14.092 1.00 0.00 C ATOM 0 HA PRO A 366 5.503 37.196 16.166 1.00 0.00 H new ATOM 0 HB2 PRO A 366 3.053 35.298 16.042 1.00 0.00 H new ATOM 0 HB3 PRO A 366 3.073 37.009 15.665 1.00 0.00 H new ATOM 0 HG2 PRO A 366 3.135 35.143 13.713 1.00 0.00 H new ATOM 0 HG3 PRO A 366 3.966 36.675 13.536 1.00 0.00 H new ATOM 0 HD2 PRO A 366 5.125 33.982 13.848 1.00 0.00 H new ATOM 0 HD3 PRO A 366 5.916 35.459 13.332 1.00 0.00 H new ATOM 960 N SER A 367 4.606 34.738 18.139 1.00 0.00 N ATOM 961 CA SER A 367 4.404 34.335 19.546 1.00 0.00 C ATOM 962 C SER A 367 5.702 34.465 20.390 1.00 0.00 C ATOM 963 O SER A 367 5.644 34.734 21.592 1.00 0.00 O ATOM 964 CB SER A 367 3.883 32.880 19.575 1.00 0.00 C ATOM 965 OG SER A 367 4.781 32.002 18.914 1.00 0.00 O ATOM 0 H SER A 367 4.462 33.976 17.477 1.00 0.00 H new ATOM 0 HA SER A 367 3.673 35.008 19.995 1.00 0.00 H new ATOM 0 HB2 SER A 367 3.750 32.559 20.608 1.00 0.00 H new ATOM 0 HB3 SER A 367 2.904 32.831 19.097 1.00 0.00 H new ATOM 0 HG SER A 367 5.244 32.486 18.199 1.00 0.00 H new ATOM 971 N CYS A 368 6.861 34.248 19.738 1.00 0.00 N ATOM 972 CA CYS A 368 8.192 34.316 20.376 1.00 0.00 C ATOM 973 C CYS A 368 8.718 35.753 20.492 1.00 0.00 C ATOM 974 O CYS A 368 9.162 36.169 21.566 1.00 0.00 O ATOM 975 CB CYS A 368 9.194 33.444 19.590 1.00 0.00 C ATOM 976 SG CYS A 368 8.864 31.674 19.747 1.00 0.00 S ATOM 0 H CYS A 368 6.901 34.019 18.745 1.00 0.00 H new ATOM 0 HA CYS A 368 8.085 33.934 21.391 1.00 0.00 H new ATOM 0 HB2 CYS A 368 9.161 33.722 18.537 1.00 0.00 H new ATOM 0 HB3 CYS A 368 10.204 33.653 19.943 1.00 0.00 H new ATOM 0 HG CYS A 368 9.429 31.038 18.764 1.00 0.00 H new