USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 728 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 106 TYR OH : rot 150:sc= 0 USER MOD Set 1.2: A 108 SER OG : rot 180:sc= -0.589 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.038 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 116:sc= -2.47! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00608 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -74:sc= -0.783! USER MOD Single : A 66 SER OG : rot 42:sc= 0.121 USER MOD Single : A 68 CYS SG : rot -80:sc= 0.785 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0217 USER MOD Single : A 77 LYS NZ :NH3+ -177:sc=-0.00846 (180deg=-0.0139) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -176:sc= -2.45 (180deg=-2.67) USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 292 N THR A 18 1.750 -20.772 6.425 1.00999.99 N ATOM 293 CA THR A 18 1.947 -19.385 6.021 1.00999.99 C ATOM 294 C THR A 18 3.086 -18.731 6.795 1.00999.99 C ATOM 295 O THR A 18 3.717 -19.351 7.650 1.00999.99 O ATOM 296 CB THR A 18 0.660 -18.575 6.232 1.00999.99 C ATOM 297 OG1 THR A 18 0.589 -18.156 7.585 1.00999.99 O ATOM 298 CG2 THR A 18 -0.566 -19.435 5.901 1.00999.99 C ATOM 0 HA THR A 18 2.207 -19.391 4.962 1.00999.99 H new ATOM 0 HB THR A 18 0.672 -17.706 5.574 1.00999.99 H new ATOM 0 HG1 THR A 18 -0.231 -17.637 7.724 1.00999.99 H new ATOM 0 HG21 THR A 18 -1.473 -18.850 6.054 1.00999.99 H new ATOM 0 HG22 THR A 18 -0.514 -19.758 4.861 1.00999.99 H new ATOM 0 HG23 THR A 18 -0.584 -20.309 6.552 1.00999.99 H new ATOM 306 N ARG A 19 3.346 -17.463 6.472 1.00999.99 N ATOM 307 CA ARG A 19 4.412 -16.703 7.120 1.00999.99 C ATOM 308 C ARG A 19 4.028 -15.230 7.249 1.00999.99 C ATOM 309 O ARG A 19 2.983 -14.795 6.759 1.00999.99 O ATOM 310 CB ARG A 19 5.720 -16.822 6.305 1.00999.99 C ATOM 311 CG ARG A 19 6.707 -17.771 6.998 1.00999.99 C ATOM 312 CD ARG A 19 8.035 -17.743 6.239 1.00999.99 C ATOM 313 NE ARG A 19 8.920 -18.785 6.737 1.00999.99 N ATOM 314 CZ ARG A 19 9.938 -19.222 6.007 1.00999.99 C ATOM 315 NH1 ARG A 19 10.163 -18.703 4.832 1.00999.99 N ATOM 316 NH2 ARG A 19 10.709 -20.169 6.464 1.00999.99 N ATOM 0 H ARG A 19 2.830 -16.941 5.763 1.00999.99 H new ATOM 0 HA ARG A 19 4.564 -17.116 8.117 1.00999.99 H new ATOM 0 HB2 ARG A 19 5.498 -17.189 5.303 1.00999.99 H new ATOM 0 HB3 ARG A 19 6.174 -15.838 6.191 1.00999.99 H new ATOM 0 HG2 ARG A 19 6.858 -17.467 8.034 1.00999.99 H new ATOM 0 HG3 ARG A 19 6.305 -18.784 7.018 1.00999.99 H new ATOM 0 HD2 ARG A 19 7.856 -17.886 5.173 1.00999.99 H new ATOM 0 HD3 ARG A 19 8.508 -16.768 6.355 1.00999.99 H new ATOM 0 HE ARG A 19 8.755 -19.185 7.661 1.00999.99 H new ATOM 0 HH11 ARG A 19 9.557 -17.963 4.477 1.00999.99 H new ATOM 0 HH12 ARG A 19 10.945 -19.037 4.268 1.00999.99 H new ATOM 0 HH21 ARG A 19 10.529 -20.574 7.383 1.00999.99 H new ATOM 0 HH22 ARG A 19 11.492 -20.505 5.903 1.00999.99 H new ATOM 330 N LYS A 20 4.670 -14.382 7.938 1.00900.08 N ATOM 331 CA LYS A 20 4.361 -12.988 8.241 1.00857.56 C ATOM 332 C LYS A 20 5.520 -12.073 7.867 1.00815.13 C ATOM 333 O LYS A 20 6.636 -12.213 8.371 1.00869.52 O ATOM 334 CB LYS A 20 3.975 -12.821 9.709 1.00966.61 C ATOM 335 CG LYS A 20 2.562 -13.374 9.923 1.00999.99 C ATOM 336 CD LYS A 20 2.158 -13.223 11.392 1.00999.99 C ATOM 337 CE LYS A 20 0.712 -13.699 11.580 1.00999.99 C ATOM 338 NZ LYS A 20 0.330 -13.574 13.017 1.00999.99 N ATOM 0 H LYS A 20 5.550 -14.654 8.377 1.00900.08 H new ATOM 0 HA LYS A 20 3.503 -12.696 7.635 1.00857.56 H new ATOM 0 HB2 LYS A 20 4.685 -13.348 10.347 1.00966.61 H new ATOM 0 HB3 LYS A 20 4.013 -11.769 9.990 1.00966.61 H new ATOM 0 HG2 LYS A 20 1.854 -12.843 9.286 1.00999.99 H new ATOM 0 HG3 LYS A 20 2.526 -14.424 9.633 1.00999.99 H new ATOM 0 HD2 LYS A 20 2.828 -13.804 12.025 1.00999.99 H new ATOM 0 HD3 LYS A 20 2.252 -12.182 11.700 1.00999.99 H new ATOM 0 HE2 LYS A 20 0.039 -13.106 10.961 1.00999.99 H new ATOM 0 HE3 LYS A 20 0.614 -14.735 11.255 1.00999.99 H new ATOM 0 HZ1 LYS A 20 -0.650 -13.897 13.145 1.00999.99 H new ATOM 0 HZ2 LYS A 20 0.965 -14.158 13.597 1.00999.99 H new ATOM 0 HZ3 LYS A 20 0.408 -12.580 13.312 1.00999.99 H new ATOM 352 N ILE A 21 5.231 -11.142 6.958 1.00749.93 N ATOM 353 CA ILE A 21 6.228 -10.191 6.468 1.00733.33 C ATOM 354 C ILE A 21 6.005 -8.813 7.094 1.00731.44 C ATOM 355 O ILE A 21 4.865 -8.410 7.360 1.00731.93 O ATOM 356 CB ILE A 21 6.166 -10.126 4.925 1.00716.93 C ATOM 357 CG1 ILE A 21 6.519 -8.721 4.418 1.00623.88 C ATOM 358 CG2 ILE A 21 4.761 -10.488 4.442 1.00885.67 C ATOM 359 CD1 ILE A 21 7.294 -8.825 3.105 1.00662.10 C ATOM 0 H ILE A 21 4.306 -11.026 6.543 1.00749.93 H new ATOM 0 HA ILE A 21 7.223 -10.526 6.759 1.00733.33 H new ATOM 0 HB ILE A 21 6.891 -10.838 4.531 1.00716.93 H new ATOM 0 HG12 ILE A 21 5.610 -8.139 4.269 1.00623.88 H new ATOM 0 HG13 ILE A 21 7.116 -8.195 5.163 1.00623.88 H new ATOM 0 HG21 ILE A 21 4.727 -10.440 3.354 1.00885.67 H new ATOM 0 HG22 ILE A 21 4.513 -11.498 4.768 1.00885.67 H new ATOM 0 HG23 ILE A 21 4.040 -9.785 4.859 1.00885.67 H new ATOM 0 HD11 ILE A 21 7.542 -7.825 2.749 1.00662.10 H new ATOM 0 HD12 ILE A 21 8.211 -9.391 3.268 1.00662.10 H new ATOM 0 HD13 ILE A 21 6.682 -9.334 2.360 1.00662.10 H new ATOM 371 N LYS A 22 7.116 -8.109 7.327 1.00767.29 N ATOM 372 CA LYS A 22 7.088 -6.778 7.925 1.00802.62 C ATOM 373 C LYS A 22 8.021 -5.838 7.157 1.00756.18 C ATOM 374 O LYS A 22 8.312 -4.731 7.613 1.00945.87 O ATOM 375 CB LYS A 22 7.547 -6.874 9.389 1.00999.99 C ATOM 376 CG LYS A 22 6.520 -6.209 10.309 1.00999.99 C ATOM 377 CD LYS A 22 6.903 -6.466 11.769 1.00999.99 C ATOM 378 CE LYS A 22 5.858 -5.838 12.691 1.00999.99 C ATOM 379 NZ LYS A 22 6.241 -6.076 14.110 1.00999.99 N ATOM 0 H LYS A 22 8.053 -8.446 7.107 1.00767.29 H new ATOM 0 HA LYS A 22 6.073 -6.383 7.880 1.00802.62 H new ATOM 0 HB2 LYS A 22 7.675 -7.919 9.670 1.00999.99 H new ATOM 0 HB3 LYS A 22 8.517 -6.392 9.506 1.00999.99 H new ATOM 0 HG2 LYS A 22 6.482 -5.137 10.115 1.00999.99 H new ATOM 0 HG3 LYS A 22 5.525 -6.605 10.108 1.00999.99 H new ATOM 0 HD2 LYS A 22 6.969 -7.538 11.955 1.00999.99 H new ATOM 0 HD3 LYS A 22 7.887 -6.045 11.977 1.00999.99 H new ATOM 0 HE2 LYS A 22 5.783 -4.768 12.498 1.00999.99 H new ATOM 0 HE3 LYS A 22 4.876 -6.267 12.491 1.00999.99 H new ATOM 0 HZ1 LYS A 22 5.530 -5.649 14.738 1.00999.99 H new ATOM 0 HZ2 LYS A 22 6.291 -7.099 14.289 1.00999.99 H new ATOM 0 HZ3 LYS A 22 7.170 -5.646 14.296 1.00999.99 H new ATOM 393 N ILE A 23 8.500 -6.296 5.998 1.00650.64 N ATOM 394 CA ILE A 23 9.419 -5.500 5.185 1.00662.41 C ATOM 395 C ILE A 23 8.671 -4.710 4.112 1.00600.65 C ATOM 396 O ILE A 23 8.148 -5.278 3.153 1.00701.55 O ATOM 397 CB ILE A 23 10.453 -6.419 4.511 1.00871.72 C ATOM 398 CG1 ILE A 23 11.188 -7.237 5.581 1.00999.99 C ATOM 399 CG2 ILE A 23 11.471 -5.576 3.735 1.00999.99 C ATOM 400 CD1 ILE A 23 10.544 -8.620 5.708 1.00999.99 C ATOM 0 H ILE A 23 8.268 -7.208 5.604 1.00650.64 H new ATOM 0 HA ILE A 23 9.923 -4.794 5.845 1.00662.41 H new ATOM 0 HB ILE A 23 9.938 -7.090 3.824 1.00871.72 H new ATOM 0 HG12 ILE A 23 12.240 -7.339 5.315 1.00999.99 H new ATOM 0 HG13 ILE A 23 11.150 -6.718 6.539 1.00999.99 H new ATOM 0 HG21 ILE A 23 12.200 -6.232 3.260 1.00999.99 H new ATOM 0 HG22 ILE A 23 10.955 -4.994 2.971 1.00999.99 H new ATOM 0 HG23 ILE A 23 11.983 -4.901 4.421 1.00999.99 H new ATOM 0 HD11 ILE A 23 11.069 -9.197 6.469 1.00999.99 H new ATOM 0 HD12 ILE A 23 9.498 -8.509 5.994 1.00999.99 H new ATOM 0 HD13 ILE A 23 10.606 -9.139 4.752 1.00999.99 H new ATOM 412 N THR A 24 8.645 -3.390 4.287 1.00619.81 N ATOM 413 CA THR A 24 7.984 -2.496 3.338 1.00700.63 C ATOM 414 C THR A 24 9.001 -1.518 2.761 1.00594.61 C ATOM 415 O THR A 24 9.847 -0.995 3.490 1.00664.15 O ATOM 416 CB THR A 24 6.856 -1.725 4.035 1.00999.99 C ATOM 417 OG1 THR A 24 7.234 -1.447 5.376 1.00999.99 O ATOM 418 CG2 THR A 24 5.573 -2.561 4.025 1.00999.99 C ATOM 0 H THR A 24 9.076 -2.915 5.080 1.00619.81 H new ATOM 0 HA THR A 24 7.556 -3.090 2.530 1.00700.63 H new ATOM 0 HB THR A 24 6.676 -0.789 3.505 1.00999.99 H new ATOM 0 HG1 THR A 24 6.515 -0.953 5.823 1.00999.99 H new ATOM 0 HG21 THR A 24 4.775 -2.009 4.521 1.00999.99 H new ATOM 0 HG22 THR A 24 5.283 -2.771 2.995 1.00999.99 H new ATOM 0 HG23 THR A 24 5.746 -3.500 4.551 1.00999.99 H new ATOM 426 N PHE A 25 8.928 -1.279 1.454 1.00559.65 N ATOM 427 CA PHE A 25 9.866 -0.369 0.809 1.00513.49 C ATOM 428 C PHE A 25 9.361 1.071 0.909 1.00590.53 C ATOM 429 O PHE A 25 8.317 1.420 0.353 1.00619.97 O ATOM 430 CB PHE A 25 10.051 -0.769 -0.661 1.00444.79 C ATOM 431 CG PHE A 25 11.422 -0.340 -1.137 1.00509.91 C ATOM 432 CD1 PHE A 25 12.554 -1.078 -0.770 1.00580.27 C ATOM 433 CD2 PHE A 25 11.561 0.796 -1.942 1.00760.14 C ATOM 434 CE1 PHE A 25 13.822 -0.681 -1.207 1.00883.72 C ATOM 435 CE2 PHE A 25 12.830 1.194 -2.379 1.00999.99 C ATOM 436 CZ PHE A 25 13.961 0.457 -2.012 1.00999.99 C ATOM 0 H PHE A 25 8.239 -1.697 0.829 1.00559.65 H new ATOM 0 HA PHE A 25 10.829 -0.433 1.317 1.00513.49 H new ATOM 0 HB2 PHE A 25 9.938 -1.847 -0.772 1.00444.79 H new ATOM 0 HB3 PHE A 25 9.280 -0.303 -1.275 1.00444.79 H new ATOM 0 HD1 PHE A 25 12.448 -1.955 -0.149 1.00580.27 H new ATOM 0 HD2 PHE A 25 10.689 1.366 -2.226 1.00760.14 H new ATOM 0 HE1 PHE A 25 14.694 -1.252 -0.924 1.00883.72 H new ATOM 0 HE2 PHE A 25 12.936 2.071 -3.000 1.00999.99 H new ATOM 0 HZ PHE A 25 14.940 0.765 -2.349 1.00999.99 H new ATOM 446 N ALA A 26 10.111 1.891 1.638 1.00700.26 N ATOM 447 CA ALA A 26 9.739 3.289 1.831 1.00843.29 C ATOM 448 C ALA A 26 10.379 4.180 0.765 1.00788.29 C ATOM 449 O ALA A 26 11.584 4.435 0.793 1.00836.59 O ATOM 450 CB ALA A 26 10.164 3.756 3.228 1.00999.99 C ATOM 0 H ALA A 26 10.976 1.614 2.103 1.00700.26 H new ATOM 0 HA ALA A 26 8.656 3.370 1.737 1.00843.29 H new ATOM 0 HB1 ALA A 26 9.883 4.800 3.364 1.00999.99 H new ATOM 0 HB2 ALA A 26 9.668 3.145 3.982 1.00999.99 H new ATOM 0 HB3 ALA A 26 11.244 3.655 3.333 1.00999.99 H new ATOM 456 N LEU A 27 9.549 4.661 -0.159 1.00811.92 N ATOM 457 CA LEU A 27 10.027 5.544 -1.221 1.00865.32 C ATOM 458 C LEU A 27 10.426 6.888 -0.625 1.00863.93 C ATOM 459 O LEU A 27 11.432 7.485 -1.006 1.00999.99 O ATOM 460 CB LEU A 27 8.945 5.754 -2.288 1.00999.99 C ATOM 461 CG LEU A 27 8.385 4.402 -2.759 1.00999.99 C ATOM 462 CD1 LEU A 27 7.757 4.566 -4.145 1.00999.99 C ATOM 463 CD2 LEU A 27 9.506 3.361 -2.833 1.00999.99 C ATOM 0 H LEU A 27 8.550 4.456 -0.194 1.00811.92 H new ATOM 0 HA LEU A 27 10.891 5.079 -1.695 1.00865.32 H new ATOM 0 HB2 LEU A 27 8.140 6.367 -1.882 1.00999.99 H new ATOM 0 HB3 LEU A 27 9.362 6.297 -3.136 1.00999.99 H new ATOM 0 HG LEU A 27 7.631 4.065 -2.047 1.00999.99 H new ATOM 0 HD11 LEU A 27 7.360 3.608 -4.480 1.00999.99 H new ATOM 0 HD12 LEU A 27 6.949 5.296 -4.094 1.00999.99 H new ATOM 0 HD13 LEU A 27 8.514 4.911 -4.849 1.00999.99 H new ATOM 0 HD21 LEU A 27 9.096 2.408 -3.168 1.00999.99 H new ATOM 0 HD22 LEU A 27 10.268 3.696 -3.537 1.00999.99 H new ATOM 0 HD23 LEU A 27 9.953 3.237 -1.847 1.00999.99 H new ATOM 475 N ASP A 28 9.616 7.338 0.325 1.00818.61 N ATOM 476 CA ASP A 28 9.844 8.599 1.016 1.00932.56 C ATOM 477 C ASP A 28 9.253 8.515 2.413 1.00978.37 C ATOM 478 O ASP A 28 8.560 7.550 2.741 1.00999.99 O ATOM 479 CB ASP A 28 9.177 9.752 0.251 1.00928.48 C ATOM 480 CG ASP A 28 10.072 10.236 -0.890 1.00999.99 C ATOM 481 OD1 ASP A 28 11.281 10.245 -0.716 1.00999.99 O ATOM 482 OD2 ASP A 28 9.534 10.592 -1.926 1.00999.99 O ATOM 0 H ASP A 28 8.783 6.839 0.637 1.00818.61 H new ATOM 0 HA ASP A 28 10.916 8.786 1.074 1.00932.56 H new ATOM 0 HB2 ASP A 28 8.218 9.423 -0.148 1.00928.48 H new ATOM 0 HB3 ASP A 28 8.972 10.577 0.934 1.00928.48 H new ATOM 487 N ALA A 29 9.513 9.526 3.234 1.00999.99 N ATOM 488 CA ALA A 29 8.979 9.537 4.586 1.00999.99 C ATOM 489 C ALA A 29 7.450 9.455 4.546 1.00999.99 C ATOM 490 O ALA A 29 6.812 8.973 5.497 1.00999.99 O ATOM 491 CB ALA A 29 9.409 10.814 5.306 1.00999.99 C ATOM 0 H ALA A 29 10.082 10.337 2.990 1.00999.99 H new ATOM 0 HA ALA A 29 9.368 8.674 5.126 1.00999.99 H new ATOM 0 HB1 ALA A 29 9.005 10.815 6.318 1.00999.99 H new ATOM 0 HB2 ALA A 29 10.497 10.858 5.350 1.00999.99 H new ATOM 0 HB3 ALA A 29 9.032 11.682 4.764 1.00999.99 H new ATOM 497 N THR A 30 6.864 9.932 3.434 1.00972.42 N ATOM 498 CA THR A 30 5.416 9.910 3.288 1.00887.22 C ATOM 499 C THR A 30 4.900 8.481 3.363 1.00763.10 C ATOM 500 O THR A 30 4.181 8.153 4.307 1.00761.09 O ATOM 501 CB THR A 30 5.013 10.559 1.964 1.00904.30 C ATOM 502 OG1 THR A 30 5.641 11.828 1.860 1.00999.99 O ATOM 503 CG2 THR A 30 3.492 10.738 1.921 1.00999.99 C ATOM 0 H THR A 30 7.369 10.329 2.641 1.00972.42 H new ATOM 0 HA THR A 30 4.970 10.479 4.104 1.00887.22 H new ATOM 0 HB THR A 30 5.324 9.924 1.135 1.00904.30 H new ATOM 0 HG1 THR A 30 5.388 12.250 1.012 1.00999.99 H new ATOM 0 HG21 THR A 30 3.207 11.201 0.976 1.00999.99 H new ATOM 0 HG22 THR A 30 3.009 9.765 2.009 1.00999.99 H new ATOM 0 HG23 THR A 30 3.177 11.376 2.747 1.00999.99 H new ATOM 511 N PHE A 31 5.270 7.599 2.411 1.00710.73 N ATOM 512 CA PHE A 31 4.822 6.206 2.458 1.00643.83 C ATOM 513 C PHE A 31 5.608 5.452 3.519 1.00616.39 C ATOM 514 O PHE A 31 5.568 4.229 3.587 1.00571.40 O ATOM 515 CB PHE A 31 5.114 5.534 1.111 1.00661.94 C ATOM 516 CG PHE A 31 4.268 6.112 0.004 1.00738.55 C ATOM 517 CD1 PHE A 31 4.617 7.333 -0.589 1.00999.99 C ATOM 518 CD2 PHE A 31 3.152 5.405 -0.451 1.00815.73 C ATOM 519 CE1 PHE A 31 3.846 7.844 -1.639 1.00999.99 C ATOM 520 CE2 PHE A 31 2.381 5.917 -1.497 1.00999.99 C ATOM 521 CZ PHE A 31 2.727 7.136 -2.091 1.00999.99 C ATOM 0 H PHE A 31 5.867 7.828 1.617 1.00710.73 H new ATOM 0 HA PHE A 31 3.755 6.188 2.682 1.00643.83 H new ATOM 0 HB2 PHE A 31 6.169 5.656 0.865 1.00661.94 H new ATOM 0 HB3 PHE A 31 4.927 4.463 1.191 1.00661.94 H new ATOM 0 HD1 PHE A 31 5.480 7.879 -0.236 1.00999.99 H new ATOM 0 HD2 PHE A 31 2.886 4.463 0.006 1.00815.73 H new ATOM 0 HE1 PHE A 31 4.114 8.783 -2.100 1.00999.99 H new ATOM 0 HE2 PHE A 31 1.517 5.372 -1.848 1.00999.99 H new ATOM 0 HZ PHE A 31 2.129 7.531 -2.899 1.00999.99 H new ATOM 531 N ASP A 32 6.251 6.203 4.389 1.00700.41 N ATOM 532 CA ASP A 32 6.981 5.597 5.483 1.00735.68 C ATOM 533 C ASP A 32 6.014 5.441 6.627 1.00772.55 C ATOM 534 O ASP A 32 5.647 4.325 7.003 1.00765.18 O ATOM 535 CB ASP A 32 8.181 6.446 5.901 1.00866.84 C ATOM 536 CG ASP A 32 9.230 5.575 6.596 1.00999.99 C ATOM 537 OD1 ASP A 32 8.865 4.535 7.122 1.00999.99 O ATOM 538 OD2 ASP A 32 10.388 5.960 6.585 1.00999.99 O ATOM 0 H ASP A 32 6.283 7.222 4.361 1.00700.41 H new ATOM 0 HA ASP A 32 7.382 4.631 5.175 1.00735.68 H new ATOM 0 HB2 ASP A 32 8.619 6.926 5.026 1.00866.84 H new ATOM 0 HB3 ASP A 32 7.857 7.242 6.572 1.00866.84 H new ATOM 543 N SER A 33 5.553 6.574 7.136 1.00852.93 N ATOM 544 CA SER A 33 4.571 6.550 8.199 1.00943.57 C ATOM 545 C SER A 33 3.254 6.004 7.649 1.00853.46 C ATOM 546 O SER A 33 2.572 5.222 8.310 1.00906.08 O ATOM 547 CB SER A 33 4.354 7.960 8.749 1.00999.99 C ATOM 548 OG SER A 33 3.938 8.817 7.692 1.00999.99 O ATOM 0 H SER A 33 5.840 7.505 6.834 1.00852.93 H new ATOM 0 HA SER A 33 4.929 5.911 9.006 1.00943.57 H new ATOM 0 HB2 SER A 33 3.601 7.944 9.537 1.00999.99 H new ATOM 0 HB3 SER A 33 5.275 8.335 9.195 1.00999.99 H new ATOM 0 HG SER A 33 3.796 9.722 8.041 1.00999.99 H new ATOM 554 N VAL A 34 2.903 6.439 6.429 1.00767.50 N ATOM 555 CA VAL A 34 1.654 6.014 5.796 1.00736.51 C ATOM 556 C VAL A 34 1.640 4.518 5.454 1.00674.12 C ATOM 557 O VAL A 34 0.674 3.825 5.787 1.00718.24 O ATOM 558 CB VAL A 34 1.412 6.828 4.516 1.00724.23 C ATOM 559 CG1 VAL A 34 0.105 6.371 3.852 1.00825.48 C ATOM 560 CG2 VAL A 34 1.313 8.318 4.860 1.00793.87 C ATOM 0 H VAL A 34 3.464 7.080 5.868 1.00767.50 H new ATOM 0 HA VAL A 34 0.858 6.193 6.519 1.00736.51 H new ATOM 0 HB VAL A 34 2.244 6.669 3.830 1.00724.23 H new ATOM 0 HG11 VAL A 34 -0.064 6.950 2.944 1.00825.48 H new ATOM 0 HG12 VAL A 34 0.176 5.313 3.599 1.00825.48 H new ATOM 0 HG13 VAL A 34 -0.726 6.525 4.540 1.00825.48 H new ATOM 0 HG21 VAL A 34 1.141 8.891 3.949 1.00793.87 H new ATOM 0 HG22 VAL A 34 0.485 8.478 5.551 1.00793.87 H new ATOM 0 HG23 VAL A 34 2.242 8.646 5.326 1.00793.87 H new ATOM 570 N LEU A 35 2.683 4.009 4.777 1.00610.93 N ATOM 571 CA LEU A 35 2.688 2.591 4.412 1.00588.93 C ATOM 572 C LEU A 35 2.737 1.718 5.664 1.00670.32 C ATOM 573 O LEU A 35 2.042 0.707 5.745 1.00715.35 O ATOM 574 CB LEU A 35 3.864 2.270 3.479 1.00555.25 C ATOM 575 CG LEU A 35 3.728 0.852 2.895 1.00548.22 C ATOM 576 CD1 LEU A 35 2.300 0.619 2.384 1.00682.02 C ATOM 577 CD2 LEU A 35 4.702 0.700 1.720 1.00690.15 C ATOM 0 H LEU A 35 3.503 4.539 4.482 1.00610.93 H new ATOM 0 HA LEU A 35 1.764 2.373 3.876 1.00588.93 H new ATOM 0 HB2 LEU A 35 3.901 2.999 2.670 1.00555.25 H new ATOM 0 HB3 LEU A 35 4.802 2.354 4.027 1.00555.25 H new ATOM 0 HG LEU A 35 3.953 0.125 3.676 1.00548.22 H new ATOM 0 HD11 LEU A 35 2.220 -0.388 1.974 1.00682.02 H new ATOM 0 HD12 LEU A 35 1.596 0.732 3.208 1.00682.02 H new ATOM 0 HD13 LEU A 35 2.069 1.347 1.606 1.00682.02 H new ATOM 0 HD21 LEU A 35 4.612 -0.302 1.300 1.00690.15 H new ATOM 0 HD22 LEU A 35 4.465 1.437 0.953 1.00690.15 H new ATOM 0 HD23 LEU A 35 5.722 0.856 2.070 1.00690.15 H new ATOM 589 N SER A 36 3.557 2.115 6.639 1.00740.43 N ATOM 590 CA SER A 36 3.673 1.353 7.882 1.00887.13 C ATOM 591 C SER A 36 2.340 1.313 8.641 1.00992.19 C ATOM 592 O SER A 36 1.934 0.258 9.130 1.00999.99 O ATOM 593 CB SER A 36 4.751 1.968 8.770 1.00999.99 C ATOM 594 OG SER A 36 4.627 1.449 10.088 1.00999.99 O ATOM 0 H SER A 36 4.143 2.949 6.593 1.00740.43 H new ATOM 0 HA SER A 36 3.948 0.330 7.624 1.00887.13 H new ATOM 0 HB2 SER A 36 5.740 1.743 8.370 1.00999.99 H new ATOM 0 HB3 SER A 36 4.652 3.053 8.783 1.00999.99 H new ATOM 0 HG SER A 36 5.319 1.841 10.660 1.00999.99 H new ATOM 600 N LYS A 37 1.665 2.461 8.740 1.00995.13 N ATOM 601 CA LYS A 37 0.379 2.534 9.446 1.00999.99 C ATOM 602 C LYS A 37 -0.697 1.678 8.783 1.00999.99 C ATOM 603 O LYS A 37 -1.428 0.958 9.461 1.00999.99 O ATOM 604 CB LYS A 37 -0.104 3.991 9.518 1.00999.99 C ATOM 605 CG LYS A 37 -0.075 4.481 10.970 1.00999.99 C ATOM 606 CD LYS A 37 -0.408 5.978 11.010 1.00999.99 C ATOM 607 CE LYS A 37 -0.440 6.465 12.461 1.00999.99 C ATOM 608 NZ LYS A 37 -1.107 7.798 12.523 1.00999.99 N ATOM 0 H LYS A 37 1.982 3.346 8.345 1.00995.13 H new ATOM 0 HA LYS A 37 0.545 2.143 10.450 1.00999.99 H new ATOM 0 HB2 LYS A 37 0.531 4.624 8.899 1.00999.99 H new ATOM 0 HB3 LYS A 37 -1.116 4.068 9.120 1.00999.99 H new ATOM 0 HG2 LYS A 37 -0.794 3.921 11.569 1.00999.99 H new ATOM 0 HG3 LYS A 37 0.909 4.304 11.405 1.00999.99 H new ATOM 0 HD2 LYS A 37 0.335 6.540 10.445 1.00999.99 H new ATOM 0 HD3 LYS A 37 -1.373 6.158 10.535 1.00999.99 H new ATOM 0 HE2 LYS A 37 -0.975 5.749 13.084 1.00999.99 H new ATOM 0 HE3 LYS A 37 0.574 6.535 12.855 1.00999.99 H new ATOM 0 HZ1 LYS A 37 -1.129 8.130 13.508 1.00999.99 H new ATOM 0 HZ2 LYS A 37 -0.578 8.478 11.941 1.00999.99 H new ATOM 0 HZ3 LYS A 37 -2.079 7.717 12.163 1.00999.99 H new ATOM 622 N ALA A 38 -0.791 1.773 7.464 1.00923.62 N ATOM 623 CA ALA A 38 -1.789 1.013 6.720 1.00927.96 C ATOM 624 C ALA A 38 -1.359 -0.444 6.571 1.00937.19 C ATOM 625 O ALA A 38 -2.195 -1.341 6.442 1.00999.99 O ATOM 626 CB ALA A 38 -1.982 1.636 5.334 1.00814.44 C ATOM 0 H ALA A 38 -0.192 2.365 6.888 1.00923.62 H new ATOM 0 HA ALA A 38 -2.729 1.043 7.271 1.00927.96 H new ATOM 0 HB1 ALA A 38 -2.728 1.067 4.780 1.00814.44 H new ATOM 0 HB2 ALA A 38 -2.319 2.667 5.442 1.00814.44 H new ATOM 0 HB3 ALA A 38 -1.036 1.618 4.792 1.00814.44 H new ATOM 632 N CYS A 39 -0.049 -0.657 6.566 1.00767.52 N ATOM 633 CA CYS A 39 0.483 -2.008 6.402 1.00808.44 C ATOM 634 C CYS A 39 1.796 -2.239 7.152 1.00897.76 C ATOM 635 O CYS A 39 2.876 -2.222 6.560 1.00999.99 O ATOM 636 CB CYS A 39 0.678 -2.297 4.910 1.00668.86 C ATOM 637 SG CYS A 39 1.706 -3.774 4.704 1.00714.01 S ATOM 0 H CYS A 39 0.656 0.073 6.671 1.00767.52 H new ATOM 0 HA CYS A 39 -0.245 -2.693 6.837 1.00808.44 H new ATOM 0 HB2 CYS A 39 -0.289 -2.445 4.429 1.00668.86 H new ATOM 0 HB3 CYS A 39 1.149 -1.443 4.423 1.00668.86 H new ATOM 0 HG CYS A 39 1.013 -4.708 4.123 1.00714.01 H new ATOM 643 N SER A 40 1.683 -2.501 8.452 1.00870.68 N ATOM 644 CA SER A 40 2.858 -2.799 9.278 1.00986.32 C ATOM 645 C SER A 40 3.101 -4.317 9.301 1.00981.35 C ATOM 646 O SER A 40 4.168 -4.784 9.698 1.00999.99 O ATOM 647 CB SER A 40 2.648 -2.297 10.711 1.00999.99 C ATOM 648 OG SER A 40 1.762 -3.174 11.395 1.00999.99 O ATOM 0 H SER A 40 0.797 -2.514 8.957 1.00870.68 H new ATOM 0 HA SER A 40 3.723 -2.293 8.849 1.00986.32 H new ATOM 0 HB2 SER A 40 3.603 -2.247 11.234 1.00999.99 H new ATOM 0 HB3 SER A 40 2.239 -1.287 10.698 1.00999.99 H new ATOM 0 HG SER A 40 1.629 -2.855 12.312 1.00999.99 H new ATOM 654 N GLU A 41 2.081 -5.065 8.869 1.00959.86 N ATOM 655 CA GLU A 41 2.158 -6.539 8.840 1.00964.52 C ATOM 656 C GLU A 41 1.296 -7.177 7.753 1.00883.22 C ATOM 657 O GLU A 41 0.190 -6.719 7.464 1.00945.21 O ATOM 658 CB GLU A 41 1.738 -7.130 10.192 1.00999.99 C ATOM 659 CG GLU A 41 2.916 -7.085 11.168 1.00999.99 C ATOM 660 CD GLU A 41 2.524 -7.731 12.496 1.00999.99 C ATOM 661 OE1 GLU A 41 1.502 -7.351 13.043 1.00999.99 O ATOM 662 OE2 GLU A 41 3.251 -8.605 12.943 1.00999.99 O ATOM 0 H GLU A 41 1.196 -4.683 8.536 1.00959.86 H new ATOM 0 HA GLU A 41 3.200 -6.768 8.619 1.00964.52 H new ATOM 0 HB2 GLU A 41 0.896 -6.569 10.598 1.00999.99 H new ATOM 0 HB3 GLU A 41 1.402 -8.159 10.061 1.00999.99 H new ATOM 0 HG2 GLU A 41 3.773 -7.606 10.740 1.00999.99 H new ATOM 0 HG3 GLU A 41 3.222 -6.052 11.334 1.00999.99 H new ATOM 669 N PHE A 42 1.815 -8.276 7.185 1.00789.04 N ATOM 670 CA PHE A 42 1.087 -9.029 6.158 1.00755.91 C ATOM 671 C PHE A 42 1.269 -10.536 6.343 1.00756.01 C ATOM 672 O PHE A 42 2.322 -10.993 6.787 1.00740.85 O ATOM 673 CB PHE A 42 1.547 -8.626 4.753 1.00674.44 C ATOM 674 CG PHE A 42 0.503 -7.731 4.133 1.00867.93 C ATOM 675 CD1 PHE A 42 -0.801 -8.210 3.960 1.00958.67 C ATOM 676 CD2 PHE A 42 0.828 -6.429 3.739 1.00999.99 C ATOM 677 CE1 PHE A 42 -1.779 -7.391 3.394 1.00999.99 C ATOM 678 CE2 PHE A 42 -0.153 -5.606 3.172 1.00999.99 C ATOM 679 CZ PHE A 42 -1.457 -6.088 3.001 1.00999.99 C ATOM 0 H PHE A 42 2.731 -8.660 7.419 1.00789.04 H new ATOM 0 HA PHE A 42 0.030 -8.787 6.269 1.00755.91 H new ATOM 0 HB2 PHE A 42 2.505 -8.108 4.804 1.00674.44 H new ATOM 0 HB3 PHE A 42 1.697 -9.513 4.137 1.00674.44 H new ATOM 0 HD1 PHE A 42 -1.051 -9.215 4.265 1.00958.67 H new ATOM 0 HD2 PHE A 42 1.834 -6.059 3.872 1.00999.99 H new ATOM 0 HE1 PHE A 42 -2.784 -7.763 3.260 1.00999.99 H new ATOM 0 HE2 PHE A 42 0.096 -4.600 2.867 1.00999.99 H new ATOM 0 HZ PHE A 42 -2.214 -5.453 2.565 1.00999.99 H new ATOM 689 N GLU A 43 0.226 -11.296 5.985 1.00807.99 N ATOM 690 CA GLU A 43 0.262 -12.758 6.098 1.00830.13 C ATOM 691 C GLU A 43 0.295 -13.395 4.707 1.00801.99 C ATOM 692 O GLU A 43 -0.589 -13.165 3.880 1.00874.50 O ATOM 693 CB GLU A 43 -0.946 -13.264 6.904 1.00981.07 C ATOM 694 CG GLU A 43 -2.247 -13.081 6.110 1.00999.99 C ATOM 695 CD GLU A 43 -3.451 -13.415 6.995 1.00999.99 C ATOM 696 OE1 GLU A 43 -3.354 -14.349 7.774 1.00999.99 O ATOM 697 OE2 GLU A 43 -4.456 -12.730 6.877 1.00999.99 O ATOM 0 H GLU A 43 -0.649 -10.924 5.616 1.00807.99 H new ATOM 0 HA GLU A 43 1.169 -13.047 6.629 1.00830.13 H new ATOM 0 HB2 GLU A 43 -0.810 -14.317 7.149 1.00981.07 H new ATOM 0 HB3 GLU A 43 -1.012 -12.723 7.848 1.00981.07 H new ATOM 0 HG2 GLU A 43 -2.322 -12.055 5.751 1.00999.99 H new ATOM 0 HG3 GLU A 43 -2.241 -13.726 5.232 1.00999.99 H new ATOM 704 N VAL A 44 1.367 -14.139 4.440 1.00770.30 N ATOM 705 CA VAL A 44 1.533 -14.735 3.112 1.00801.16 C ATOM 706 C VAL A 44 1.655 -16.271 3.106 1.00832.54 C ATOM 707 O VAL A 44 2.673 -16.846 3.490 1.00840.71 O ATOM 708 CB VAL A 44 2.747 -14.112 2.388 1.00837.76 C ATOM 709 CG1 VAL A 44 2.288 -13.484 1.069 1.00999.99 C ATOM 710 CG2 VAL A 44 3.396 -13.020 3.247 1.00899.59 C ATOM 0 H VAL A 44 2.115 -14.341 5.103 1.00770.30 H new ATOM 0 HA VAL A 44 0.610 -14.506 2.579 1.00801.16 H new ATOM 0 HB VAL A 44 3.475 -14.902 2.204 1.00837.76 H new ATOM 0 HG11 VAL A 44 3.144 -13.044 0.558 1.00999.99 H new ATOM 0 HG12 VAL A 44 1.843 -14.252 0.436 1.00999.99 H new ATOM 0 HG13 VAL A 44 1.550 -12.708 1.273 1.00999.99 H new ATOM 0 HG21 VAL A 44 4.248 -12.597 2.715 1.00899.59 H new ATOM 0 HG22 VAL A 44 2.668 -12.234 3.448 1.00899.59 H new ATOM 0 HG23 VAL A 44 3.734 -13.451 4.189 1.00899.59 H new ATOM 720 N ASP A 45 0.604 -16.897 2.560 1.00904.35 N ATOM 721 CA ASP A 45 0.572 -18.363 2.377 1.00963.77 C ATOM 722 C ASP A 45 1.723 -18.675 1.433 1.00889.48 C ATOM 723 O ASP A 45 2.178 -17.750 0.760 1.00825.46 O ATOM 724 CB ASP A 45 -0.748 -18.804 1.736 1.00999.99 C ATOM 725 CG ASP A 45 -1.943 -18.310 2.546 1.00999.99 C ATOM 726 OD1 ASP A 45 -2.052 -17.110 2.737 1.00999.99 O ATOM 727 OD2 ASP A 45 -2.737 -19.140 2.960 1.00999.99 O ATOM 0 H ASP A 45 -0.236 -16.417 2.236 1.00904.35 H new ATOM 0 HA ASP A 45 0.659 -18.883 3.331 1.00963.77 H new ATOM 0 HB2 ASP A 45 -0.809 -18.417 0.719 1.00999.99 H new ATOM 0 HB3 ASP A 45 -0.777 -19.891 1.666 1.00999.99 H new ATOM 732 N LYS A 46 2.247 -19.909 1.318 1.00970.08 N ATOM 733 CA LYS A 46 3.355 -20.127 0.398 1.00983.32 C ATOM 734 C LYS A 46 2.834 -20.343 -1.019 1.00999.99 C ATOM 735 O LYS A 46 3.410 -21.116 -1.788 1.00999.99 O ATOM 736 CB LYS A 46 4.113 -21.393 0.837 1.00999.99 C ATOM 737 CG LYS A 46 4.522 -21.283 2.311 1.00999.99 C ATOM 738 CD LYS A 46 4.778 -22.686 2.880 1.00999.99 C ATOM 739 CE LYS A 46 6.077 -23.259 2.304 1.00999.99 C ATOM 740 NZ LYS A 46 5.754 -24.389 1.386 1.00999.99 N ATOM 0 H LYS A 46 1.931 -20.732 1.831 1.00970.08 H new ATOM 0 HA LYS A 46 4.008 -19.255 0.411 1.00983.32 H new ATOM 0 HB2 LYS A 46 3.484 -22.271 0.692 1.00999.99 H new ATOM 0 HB3 LYS A 46 4.998 -21.529 0.216 1.00999.99 H new ATOM 0 HG2 LYS A 46 5.420 -20.672 2.405 1.00999.99 H new ATOM 0 HG3 LYS A 46 3.737 -20.786 2.881 1.00999.99 H new ATOM 0 HD2 LYS A 46 4.842 -22.640 3.967 1.00999.99 H new ATOM 0 HD3 LYS A 46 3.943 -23.343 2.638 1.00999.99 H new ATOM 0 HE2 LYS A 46 6.623 -22.484 1.767 1.00999.99 H new ATOM 0 HE3 LYS A 46 6.724 -23.604 3.110 1.00999.99 H new ATOM 0 HZ1 LYS A 46 6.634 -24.780 0.994 1.00999.99 H new ATOM 0 HZ2 LYS A 46 5.250 -25.131 1.913 1.00999.99 H new ATOM 0 HZ3 LYS A 46 5.152 -24.045 0.611 1.00999.99 H new ATOM 754 N ASP A 47 1.765 -19.637 -1.375 1.00999.99 N ATOM 755 CA ASP A 47 1.196 -19.733 -2.712 1.00999.99 C ATOM 756 C ASP A 47 0.962 -18.328 -3.250 1.00994.19 C ATOM 757 O ASP A 47 0.445 -18.147 -4.355 1.00999.99 O ATOM 758 CB ASP A 47 -0.127 -20.505 -2.678 1.00999.99 C ATOM 759 CG ASP A 47 0.123 -21.984 -2.961 1.00999.99 C ATOM 760 OD1 ASP A 47 0.604 -22.288 -4.042 1.00999.99 O ATOM 761 OD2 ASP A 47 -0.171 -22.791 -2.096 1.00999.99 O ATOM 0 H ASP A 47 1.276 -18.992 -0.754 1.00999.99 H new ATOM 0 HA ASP A 47 1.889 -20.269 -3.361 1.00999.99 H new ATOM 0 HB2 ASP A 47 -0.601 -20.388 -1.703 1.00999.99 H new ATOM 0 HB3 ASP A 47 -0.815 -20.096 -3.418 1.00999.99 H new ATOM 766 N VAL A 48 1.353 -17.335 -2.451 1.00883.65 N ATOM 767 CA VAL A 48 1.194 -15.943 -2.831 1.00739.91 C ATOM 768 C VAL A 48 2.416 -15.483 -3.603 1.00565.75 C ATOM 769 O VAL A 48 3.545 -15.603 -3.128 1.00572.42 O ATOM 770 CB VAL A 48 1.023 -15.078 -1.578 1.00763.48 C ATOM 771 CG1 VAL A 48 0.630 -13.653 -1.980 1.00999.99 C ATOM 772 CG2 VAL A 48 -0.072 -15.679 -0.691 1.00824.71 C ATOM 0 H VAL A 48 1.782 -17.476 -1.536 1.00883.65 H new ATOM 0 HA VAL A 48 0.309 -15.843 -3.459 1.00739.91 H new ATOM 0 HB VAL A 48 1.964 -15.049 -1.029 1.00763.48 H new ATOM 0 HG11 VAL A 48 0.510 -13.043 -1.085 1.00999.99 H new ATOM 0 HG12 VAL A 48 1.410 -13.224 -2.610 1.00999.99 H new ATOM 0 HG13 VAL A 48 -0.310 -13.677 -2.532 1.00999.99 H new ATOM 0 HG21 VAL A 48 -0.195 -15.065 0.201 1.00824.71 H new ATOM 0 HG22 VAL A 48 -1.011 -15.710 -1.243 1.00824.71 H new ATOM 0 HG23 VAL A 48 0.211 -16.690 -0.399 1.00824.71 H new ATOM 782 N THR A 49 2.181 -14.963 -4.797 1.00478.14 N ATOM 783 CA THR A 49 3.264 -14.491 -5.640 1.00373.90 C ATOM 784 C THR A 49 3.328 -12.974 -5.598 1.00305.60 C ATOM 785 O THR A 49 2.309 -12.311 -5.422 1.00388.23 O ATOM 786 CB THR A 49 3.049 -14.960 -7.083 1.00379.63 C ATOM 787 OG1 THR A 49 1.925 -14.287 -7.634 1.00422.68 O ATOM 788 CG2 THR A 49 2.802 -16.473 -7.110 1.00533.50 C ATOM 0 H THR A 49 1.251 -14.858 -5.202 1.00478.14 H new ATOM 0 HA THR A 49 4.204 -14.900 -5.269 1.00373.90 H new ATOM 0 HB THR A 49 3.938 -14.733 -7.671 1.00379.63 H new ATOM 0 HG1 THR A 49 1.786 -14.584 -8.558 1.00422.68 H new ATOM 0 HG21 THR A 49 2.650 -16.799 -8.139 1.00533.50 H new ATOM 0 HG22 THR A 49 3.664 -16.990 -6.689 1.00533.50 H new ATOM 0 HG23 THR A 49 1.916 -16.708 -6.521 1.00533.50 H new ATOM 796 N LEU A 50 4.541 -12.443 -5.722 1.00245.55 N ATOM 797 CA LEU A 50 4.759 -10.997 -5.675 1.00201.23 C ATOM 798 C LEU A 50 3.576 -10.245 -6.291 1.00193.63 C ATOM 799 O LEU A 50 3.211 -9.166 -5.827 1.00177.81 O ATOM 800 CB LEU A 50 6.046 -10.632 -6.423 1.00195.75 C ATOM 801 CG LEU A 50 6.097 -11.373 -7.765 1.00219.99 C ATOM 802 CD1 LEU A 50 6.627 -10.433 -8.851 1.00304.88 C ATOM 803 CD2 LEU A 50 7.027 -12.584 -7.647 1.00282.81 C ATOM 0 H LEU A 50 5.390 -12.992 -5.856 1.00245.55 H new ATOM 0 HA LEU A 50 4.852 -10.703 -4.629 1.00201.23 H new ATOM 0 HB2 LEU A 50 6.087 -9.556 -6.590 1.00195.75 H new ATOM 0 HB3 LEU A 50 6.915 -10.894 -5.819 1.00195.75 H new ATOM 0 HG LEU A 50 5.094 -11.707 -8.030 1.00219.99 H new ATOM 0 HD11 LEU A 50 6.663 -10.961 -9.804 1.00304.88 H new ATOM 0 HD12 LEU A 50 5.967 -9.570 -8.939 1.00304.88 H new ATOM 0 HD13 LEU A 50 7.629 -10.098 -8.584 1.00304.88 H new ATOM 0 HD21 LEU A 50 7.062 -13.110 -8.601 1.00282.81 H new ATOM 0 HD22 LEU A 50 8.029 -12.249 -7.380 1.00282.81 H new ATOM 0 HD23 LEU A 50 6.652 -13.257 -6.876 1.00282.81 H new ATOM 815 N ASP A 51 2.972 -10.832 -7.323 1.00229.19 N ATOM 816 CA ASP A 51 1.824 -10.217 -7.985 1.00262.86 C ATOM 817 C ASP A 51 0.666 -10.039 -6.997 1.00300.14 C ATOM 818 O ASP A 51 0.089 -8.957 -6.894 1.00305.27 O ATOM 819 CB ASP A 51 1.369 -11.107 -9.147 1.00334.58 C ATOM 820 CG ASP A 51 2.387 -11.071 -10.289 1.00511.79 C ATOM 821 OD1 ASP A 51 3.225 -10.181 -10.296 1.00698.47 O ATOM 822 OD2 ASP A 51 2.317 -11.940 -11.143 1.00634.05 O ATOM 0 H ASP A 51 3.257 -11.729 -7.717 1.00229.19 H new ATOM 0 HA ASP A 51 2.119 -9.237 -8.361 1.00262.86 H new ATOM 0 HB2 ASP A 51 1.243 -12.132 -8.798 1.00334.58 H new ATOM 0 HB3 ASP A 51 0.397 -10.772 -9.509 1.00334.58 H new ATOM 827 N GLU A 52 0.348 -11.107 -6.258 1.00352.08 N ATOM 828 CA GLU A 52 -0.726 -11.059 -5.263 1.00432.40 C ATOM 829 C GLU A 52 -0.333 -10.155 -4.101 1.00378.71 C ATOM 830 O GLU A 52 -1.166 -9.424 -3.566 1.00418.76 O ATOM 831 CB GLU A 52 -1.030 -12.465 -4.727 1.00541.81 C ATOM 832 CG GLU A 52 -2.266 -13.042 -5.428 1.00922.05 C ATOM 833 CD GLU A 52 -2.627 -14.412 -4.841 1.00999.99 C ATOM 834 OE1 GLU A 52 -1.906 -14.884 -3.976 1.00999.99 O ATOM 835 OE2 GLU A 52 -3.628 -14.967 -5.265 1.00999.99 O ATOM 0 H GLU A 52 0.817 -12.010 -6.330 1.00352.08 H new ATOM 0 HA GLU A 52 -1.617 -10.660 -5.749 1.00432.40 H new ATOM 0 HB2 GLU A 52 -0.172 -13.118 -4.890 1.00541.81 H new ATOM 0 HB3 GLU A 52 -1.199 -12.423 -3.651 1.00541.81 H new ATOM 0 HG2 GLU A 52 -3.107 -12.358 -5.315 1.00922.05 H new ATOM 0 HG3 GLU A 52 -2.074 -13.137 -6.497 1.00922.05 H new ATOM 842 N LEU A 53 0.945 -10.209 -3.716 1.00310.08 N ATOM 843 CA LEU A 53 1.433 -9.383 -2.617 1.00282.54 C ATOM 844 C LEU A 53 1.252 -7.916 -2.977 1.00227.80 C ATOM 845 O LEU A 53 0.756 -7.126 -2.178 1.00247.15 O ATOM 846 CB LEU A 53 2.920 -9.666 -2.365 1.00251.32 C ATOM 847 CG LEU A 53 3.414 -8.837 -1.172 1.00319.05 C ATOM 848 CD1 LEU A 53 2.909 -9.457 0.134 1.00468.61 C ATOM 849 CD2 LEU A 53 4.946 -8.799 -1.168 1.00499.30 C ATOM 0 H LEU A 53 1.650 -10.809 -4.145 1.00310.08 H new ATOM 0 HA LEU A 53 0.869 -9.617 -1.714 1.00282.54 H new ATOM 0 HB2 LEU A 53 3.069 -10.728 -2.168 1.00251.32 H new ATOM 0 HB3 LEU A 53 3.501 -9.422 -3.254 1.00251.32 H new ATOM 0 HG LEU A 53 3.030 -7.821 -1.258 1.00319.05 H new ATOM 0 HD11 LEU A 53 3.262 -8.865 0.978 1.00468.61 H new ATOM 0 HD12 LEU A 53 1.819 -9.472 0.132 1.00468.61 H new ATOM 0 HD13 LEU A 53 3.286 -10.476 0.223 1.00468.61 H new ATOM 0 HD21 LEU A 53 5.293 -8.209 -0.319 1.00499.30 H new ATOM 0 HD22 LEU A 53 5.335 -9.814 -1.088 1.00499.30 H new ATOM 0 HD23 LEU A 53 5.301 -8.346 -2.094 1.00499.30 H new ATOM 861 N LEU A 54 1.637 -7.575 -4.203 1.00185.85 N ATOM 862 CA LEU A 54 1.502 -6.211 -4.699 1.00170.67 C ATOM 863 C LEU A 54 0.034 -5.816 -4.762 1.00234.24 C ATOM 864 O LEU A 54 -0.336 -4.692 -4.414 1.00246.82 O ATOM 865 CB LEU A 54 2.110 -6.111 -6.102 1.00170.70 C ATOM 866 CG LEU A 54 3.613 -5.821 -6.004 1.00226.50 C ATOM 867 CD1 LEU A 54 4.356 -6.545 -7.132 1.00404.06 C ATOM 868 CD2 LEU A 54 3.841 -4.314 -6.139 1.00373.06 C ATOM 0 H LEU A 54 2.046 -8.227 -4.872 1.00185.85 H new ATOM 0 HA LEU A 54 2.026 -5.538 -4.020 1.00170.67 H new ATOM 0 HB2 LEU A 54 1.946 -7.041 -6.645 1.00170.70 H new ATOM 0 HB3 LEU A 54 1.615 -5.321 -6.666 1.00170.70 H new ATOM 0 HG LEU A 54 3.988 -6.171 -5.042 1.00226.50 H new ATOM 0 HD11 LEU A 54 5.423 -6.336 -7.058 1.00404.06 H new ATOM 0 HD12 LEU A 54 4.190 -7.619 -7.046 1.00404.06 H new ATOM 0 HD13 LEU A 54 3.984 -6.196 -8.095 1.00404.06 H new ATOM 0 HD21 LEU A 54 4.908 -4.100 -6.070 1.00373.06 H new ATOM 0 HD22 LEU A 54 3.464 -3.974 -7.104 1.00373.06 H new ATOM 0 HD23 LEU A 54 3.314 -3.793 -5.339 1.00373.06 H new ATOM 880 N ASP A 55 -0.789 -6.747 -5.226 1.00299.02 N ATOM 881 CA ASP A 55 -2.215 -6.503 -5.357 1.00404.70 C ATOM 882 C ASP A 55 -2.853 -6.199 -4.001 1.00450.19 C ATOM 883 O ASP A 55 -3.577 -5.212 -3.865 1.00507.43 O ATOM 884 CB ASP A 55 -2.889 -7.726 -5.987 1.00510.19 C ATOM 885 CG ASP A 55 -4.254 -7.351 -6.573 1.00611.07 C ATOM 886 OD1 ASP A 55 -4.816 -6.357 -6.145 1.00657.80 O ATOM 887 OD2 ASP A 55 -4.714 -8.065 -7.449 1.00805.60 O ATOM 0 H ASP A 55 -0.491 -7.678 -5.518 1.00299.02 H new ATOM 0 HA ASP A 55 -2.356 -5.633 -5.998 1.00404.70 H new ATOM 0 HB2 ASP A 55 -2.251 -8.135 -6.771 1.00510.19 H new ATOM 0 HB3 ASP A 55 -3.012 -8.507 -5.236 1.00510.19 H new ATOM 892 N VAL A 56 -2.598 -7.048 -2.998 1.00453.57 N ATOM 893 CA VAL A 56 -3.170 -6.860 -1.669 1.00536.71 C ATOM 894 C VAL A 56 -2.574 -5.641 -0.990 1.00466.25 C ATOM 895 O VAL A 56 -3.263 -4.920 -0.274 1.00541.51 O ATOM 896 CB VAL A 56 -2.902 -8.112 -0.822 1.00594.23 C ATOM 897 CG1 VAL A 56 -3.397 -7.892 0.610 1.00700.77 C ATOM 898 CG2 VAL A 56 -3.641 -9.306 -1.436 1.00843.98 C ATOM 0 H VAL A 56 -2.000 -7.869 -3.086 1.00453.57 H new ATOM 0 HA VAL A 56 -4.244 -6.702 -1.768 1.00536.71 H new ATOM 0 HB VAL A 56 -1.830 -8.309 -0.803 1.00594.23 H new ATOM 0 HG11 VAL A 56 -3.203 -8.785 1.203 1.00700.77 H new ATOM 0 HG12 VAL A 56 -2.873 -7.043 1.050 1.00700.77 H new ATOM 0 HG13 VAL A 56 -4.468 -7.690 0.598 1.00700.77 H new ATOM 0 HG21 VAL A 56 -3.453 -10.197 -0.837 1.00843.98 H new ATOM 0 HG22 VAL A 56 -4.711 -9.101 -1.455 1.00843.98 H new ATOM 0 HG23 VAL A 56 -3.285 -9.470 -2.453 1.00843.98 H new ATOM 908 N VAL A 57 -1.288 -5.422 -1.228 1.00347.83 N ATOM 909 CA VAL A 57 -0.587 -4.289 -0.648 1.00302.42 C ATOM 910 C VAL A 57 -1.178 -2.984 -1.158 1.00295.64 C ATOM 911 O VAL A 57 -1.470 -2.070 -0.385 1.00329.68 O ATOM 912 CB VAL A 57 0.887 -4.386 -1.044 1.00218.55 C ATOM 913 CG1 VAL A 57 1.519 -2.992 -1.117 1.00292.71 C ATOM 914 CG2 VAL A 57 1.617 -5.257 -0.016 1.00353.46 C ATOM 0 H VAL A 57 -0.709 -6.017 -1.821 1.00347.83 H new ATOM 0 HA VAL A 57 -0.688 -4.305 0.437 1.00302.42 H new ATOM 0 HB VAL A 57 0.971 -4.839 -2.032 1.00218.55 H new ATOM 0 HG11 VAL A 57 2.568 -3.082 -1.400 1.00292.71 H new ATOM 0 HG12 VAL A 57 0.993 -2.392 -1.860 1.00292.71 H new ATOM 0 HG13 VAL A 57 1.447 -2.508 -0.143 1.00292.71 H new ATOM 0 HG21 VAL A 57 2.670 -5.334 -0.287 1.00353.46 H new ATOM 0 HG22 VAL A 57 1.529 -4.805 0.972 1.00353.46 H new ATOM 0 HG23 VAL A 57 1.172 -6.252 -0.001 1.00353.46 H new ATOM 924 N LEU A 58 -1.347 -2.916 -2.470 1.00276.16 N ATOM 925 CA LEU A 58 -1.897 -1.733 -3.095 1.00305.50 C ATOM 926 C LEU A 58 -3.334 -1.520 -2.625 1.00424.01 C ATOM 927 O LEU A 58 -3.730 -0.402 -2.290 1.00451.35 O ATOM 928 CB LEU A 58 -1.859 -1.896 -4.615 1.00317.18 C ATOM 929 CG LEU A 58 -2.233 -0.572 -5.279 1.00379.54 C ATOM 930 CD1 LEU A 58 -1.167 0.477 -4.937 1.00320.90 C ATOM 931 CD2 LEU A 58 -2.301 -0.761 -6.796 1.00501.13 C ATOM 0 H LEU A 58 -1.110 -3.667 -3.118 1.00276.16 H new ATOM 0 HA LEU A 58 -1.303 -0.863 -2.813 1.00305.50 H new ATOM 0 HB2 LEU A 58 -0.864 -2.206 -4.933 1.00317.18 H new ATOM 0 HB3 LEU A 58 -2.551 -2.679 -4.925 1.00317.18 H new ATOM 0 HG LEU A 58 -3.206 -0.239 -4.916 1.00379.54 H new ATOM 0 HD11 LEU A 58 -1.426 1.426 -5.407 1.00320.90 H new ATOM 0 HD12 LEU A 58 -1.120 0.609 -3.856 1.00320.90 H new ATOM 0 HD13 LEU A 58 -0.197 0.143 -5.305 1.00320.90 H new ATOM 0 HD21 LEU A 58 -2.568 0.184 -7.269 1.00501.13 H new ATOM 0 HD22 LEU A 58 -1.330 -1.090 -7.166 1.00501.13 H new ATOM 0 HD23 LEU A 58 -3.054 -1.512 -7.036 1.00501.13 H new ATOM 943 N ASP A 59 -4.105 -2.609 -2.589 1.00520.48 N ATOM 944 CA ASP A 59 -5.497 -2.546 -2.149 1.00687.68 C ATOM 945 C ASP A 59 -5.595 -2.124 -0.685 1.00713.01 C ATOM 946 O ASP A 59 -6.445 -1.317 -0.329 1.00813.78 O ATOM 947 CB ASP A 59 -6.163 -3.915 -2.329 1.00815.93 C ATOM 948 CG ASP A 59 -6.705 -4.061 -3.751 1.00999.99 C ATOM 949 OD1 ASP A 59 -7.322 -3.126 -4.233 1.00999.99 O ATOM 950 OD2 ASP A 59 -6.497 -5.111 -4.333 1.00999.99 O ATOM 0 H ASP A 59 -3.789 -3.541 -2.858 1.00520.48 H new ATOM 0 HA ASP A 59 -6.009 -1.802 -2.759 1.00687.68 H new ATOM 0 HB2 ASP A 59 -5.442 -4.707 -2.125 1.00815.93 H new ATOM 0 HB3 ASP A 59 -6.974 -4.029 -1.610 1.00815.93 H new ATOM 955 N ALA A 60 -4.729 -2.687 0.156 1.00647.87 N ATOM 956 CA ALA A 60 -4.736 -2.367 1.582 1.00701.80 C ATOM 957 C ALA A 60 -4.457 -0.887 1.810 1.00642.23 C ATOM 958 O ALA A 60 -5.166 -0.222 2.565 1.00763.22 O ATOM 959 CB ALA A 60 -3.680 -3.202 2.305 1.00659.36 C ATOM 0 H ALA A 60 -4.018 -3.363 -0.123 1.00647.87 H new ATOM 0 HA ALA A 60 -5.724 -2.599 1.979 1.00701.80 H new ATOM 0 HB1 ALA A 60 -3.689 -2.960 3.368 1.00659.36 H new ATOM 0 HB2 ALA A 60 -3.900 -4.261 2.172 1.00659.36 H new ATOM 0 HB3 ALA A 60 -2.696 -2.982 1.891 1.00659.36 H new ATOM 965 N VAL A 61 -3.422 -0.382 1.146 1.00487.96 N ATOM 966 CA VAL A 61 -3.039 1.022 1.267 1.00449.52 C ATOM 967 C VAL A 61 -4.143 1.922 0.725 1.00542.59 C ATOM 968 O VAL A 61 -4.468 2.953 1.314 1.00599.86 O ATOM 969 CB VAL A 61 -1.744 1.273 0.487 1.00333.24 C ATOM 970 CG1 VAL A 61 -1.439 2.774 0.452 1.00374.45 C ATOM 971 CG2 VAL A 61 -0.588 0.537 1.170 1.00390.10 C ATOM 0 H VAL A 61 -2.831 -0.925 0.517 1.00487.96 H new ATOM 0 HA VAL A 61 -2.881 1.252 2.321 1.00449.52 H new ATOM 0 HB VAL A 61 -1.863 0.906 -0.533 1.00333.24 H new ATOM 0 HG11 VAL A 61 -0.517 2.945 -0.104 1.00374.45 H new ATOM 0 HG12 VAL A 61 -2.260 3.301 -0.035 1.00374.45 H new ATOM 0 HG13 VAL A 61 -1.323 3.146 1.470 1.00374.45 H new ATOM 0 HG21 VAL A 61 0.334 0.714 0.616 1.00390.10 H new ATOM 0 HG22 VAL A 61 -0.475 0.904 2.190 1.00390.10 H new ATOM 0 HG23 VAL A 61 -0.799 -0.532 1.190 1.00390.10 H new ATOM 981 N GLU A 62 -4.712 1.516 -0.401 1.00589.33 N ATOM 982 CA GLU A 62 -5.780 2.281 -1.027 1.00732.80 C ATOM 983 C GLU A 62 -7.013 2.295 -0.121 1.00908.55 C ATOM 984 O GLU A 62 -7.690 3.317 0.005 1.00999.99 O ATOM 985 CB GLU A 62 -6.123 1.663 -2.391 1.00796.55 C ATOM 986 CG GLU A 62 -7.058 2.594 -3.171 1.00831.29 C ATOM 987 CD GLU A 62 -7.311 2.047 -4.580 1.00827.04 C ATOM 988 OE1 GLU A 62 -6.989 0.893 -4.822 1.00914.77 O ATOM 989 OE2 GLU A 62 -7.820 2.796 -5.401 1.00948.60 O ATOM 0 H GLU A 62 -4.453 0.664 -0.898 1.00589.33 H new ATOM 0 HA GLU A 62 -5.450 3.309 -1.177 1.00732.80 H new ATOM 0 HB2 GLU A 62 -5.210 1.491 -2.961 1.00796.55 H new ATOM 0 HB3 GLU A 62 -6.598 0.692 -2.250 1.00796.55 H new ATOM 0 HG2 GLU A 62 -8.004 2.697 -2.640 1.00831.29 H new ATOM 0 HG3 GLU A 62 -6.619 3.589 -3.235 1.00831.29 H new ATOM 996 N SER A 63 -7.297 1.152 0.510 1.00962.43 N ATOM 997 CA SER A 63 -8.451 1.034 1.405 1.00999.99 C ATOM 998 C SER A 63 -8.283 1.896 2.664 1.00999.99 C ATOM 999 O SER A 63 -9.235 2.543 3.104 1.00999.99 O ATOM 1000 CB SER A 63 -8.650 -0.435 1.804 1.00999.99 C ATOM 1001 OG SER A 63 -8.486 -0.581 3.212 1.00999.99 O ATOM 0 H SER A 63 -6.746 0.299 0.418 1.00962.43 H new ATOM 0 HA SER A 63 -9.329 1.394 0.868 1.00999.99 H new ATOM 0 HB2 SER A 63 -9.644 -0.770 1.508 1.00999.99 H new ATOM 0 HB3 SER A 63 -7.932 -1.064 1.278 1.00999.99 H new ATOM 0 HG SER A 63 -8.616 -1.520 3.461 1.00999.99 H new ATOM 1007 N THR A 64 -7.078 1.901 3.244 1.00999.99 N ATOM 1008 CA THR A 64 -6.834 2.697 4.454 1.00999.99 C ATOM 1009 C THR A 64 -6.705 4.173 4.115 1.00999.99 C ATOM 1010 O THR A 64 -7.272 5.025 4.802 1.00999.99 O ATOM 1011 CB THR A 64 -5.558 2.233 5.172 1.00972.43 C ATOM 1012 OG1 THR A 64 -4.741 1.501 4.272 1.00887.71 O ATOM 1013 CG2 THR A 64 -5.924 1.359 6.375 1.00999.99 C ATOM 0 H THR A 64 -6.272 1.376 2.905 1.00999.99 H new ATOM 0 HA THR A 64 -7.689 2.552 5.115 1.00999.99 H new ATOM 0 HB THR A 64 -5.008 3.106 5.524 1.00972.43 H new ATOM 0 HG1 THR A 64 -5.135 0.617 4.118 1.00887.71 H new ATOM 0 HG21 THR A 64 -5.014 1.034 6.879 1.00999.99 H new ATOM 0 HG22 THR A 64 -6.537 1.934 7.069 1.00999.99 H new ATOM 0 HG23 THR A 64 -6.482 0.486 6.035 1.00999.99 H new ATOM 1021 N LEU A 65 -5.949 4.475 3.063 1.00882.66 N ATOM 1022 CA LEU A 65 -5.749 5.858 2.655 1.00863.36 C ATOM 1023 C LEU A 65 -6.507 6.155 1.362 1.00852.65 C ATOM 1024 O LEU A 65 -5.910 6.324 0.298 1.00797.60 O ATOM 1025 CB LEU A 65 -4.251 6.140 2.473 1.00775.43 C ATOM 1026 CG LEU A 65 -3.948 7.584 2.889 1.00999.99 C ATOM 1027 CD1 LEU A 65 -3.839 7.663 4.417 1.00999.99 C ATOM 1028 CD2 LEU A 65 -2.626 8.035 2.260 1.00999.99 C ATOM 0 H LEU A 65 -5.470 3.786 2.484 1.00882.66 H new ATOM 0 HA LEU A 65 -6.140 6.511 3.436 1.00863.36 H new ATOM 0 HB2 LEU A 65 -3.664 5.446 3.075 1.00775.43 H new ATOM 0 HB3 LEU A 65 -3.964 5.982 1.433 1.00775.43 H new ATOM 0 HG LEU A 65 -4.752 8.235 2.546 1.00999.99 H new ATOM 0 HD11 LEU A 65 -3.624 8.689 4.714 1.00999.99 H new ATOM 0 HD12 LEU A 65 -4.780 7.345 4.866 1.00999.99 H new ATOM 0 HD13 LEU A 65 -3.036 7.010 4.759 1.00999.99 H new ATOM 0 HD21 LEU A 65 -2.413 9.062 2.557 1.00999.99 H new ATOM 0 HD22 LEU A 65 -1.820 7.384 2.600 1.00999.99 H new ATOM 0 HD23 LEU A 65 -2.702 7.980 1.174 1.00999.99 H new ATOM 1040 N SER A 66 -7.829 6.223 1.472 1.00976.72 N ATOM 1041 CA SER A 66 -8.676 6.512 0.320 1.00999.99 C ATOM 1042 C SER A 66 -8.660 8.010 -0.006 1.00999.99 C ATOM 1043 O SER A 66 -8.535 8.396 -1.168 1.00999.99 O ATOM 1044 CB SER A 66 -10.111 6.054 0.599 1.00999.99 C ATOM 1045 OG SER A 66 -10.412 4.931 -0.220 1.00999.99 O ATOM 0 H SER A 66 -8.337 6.082 2.345 1.00976.72 H new ATOM 0 HA SER A 66 -8.285 5.968 -0.540 1.00999.99 H new ATOM 0 HB2 SER A 66 -10.224 5.792 1.651 1.00999.99 H new ATOM 0 HB3 SER A 66 -10.810 6.865 0.396 1.00999.99 H new ATOM 0 HG SER A 66 -9.645 4.321 -0.233 1.00999.99 H new ATOM 1051 N PRO A 67 -8.791 8.855 0.993 1.00999.99 N ATOM 1052 CA PRO A 67 -8.801 10.335 0.806 1.00999.99 C ATOM 1053 C PRO A 67 -7.398 10.939 0.655 1.00859.07 C ATOM 1054 O PRO A 67 -7.012 11.834 1.410 1.00837.52 O ATOM 1055 CB PRO A 67 -9.492 10.838 2.075 1.00999.99 C ATOM 1056 CG PRO A 67 -9.175 9.829 3.128 1.00999.99 C ATOM 1057 CD PRO A 67 -8.953 8.491 2.417 1.00999.99 C ATOM 0 HA PRO A 67 -9.306 10.625 -0.115 1.00999.99 H new ATOM 0 HB2 PRO A 67 -9.127 11.826 2.355 1.00999.99 H new ATOM 0 HB3 PRO A 67 -10.568 10.926 1.927 1.00999.99 H new ATOM 0 HG2 PRO A 67 -8.285 10.121 3.686 1.00999.99 H new ATOM 0 HG3 PRO A 67 -9.991 9.753 3.847 1.00999.99 H new ATOM 0 HD2 PRO A 67 -8.070 7.979 2.799 1.00999.99 H new ATOM 0 HD3 PRO A 67 -9.799 7.819 2.562 1.00999.99 H new ATOM 1065 N CYS A 68 -6.646 10.452 -0.334 1.00801.96 N ATOM 1066 CA CYS A 68 -5.294 10.964 -0.585 1.00671.20 C ATOM 1067 C CYS A 68 -5.356 12.231 -1.442 1.00694.73 C ATOM 1068 O CYS A 68 -4.535 13.137 -1.293 1.00678.18 O ATOM 1069 CB CYS A 68 -4.444 9.902 -1.295 1.00629.47 C ATOM 1070 SG CYS A 68 -5.384 8.364 -1.457 1.00845.47 S ATOM 0 H CYS A 68 -6.944 9.712 -0.969 1.00801.96 H new ATOM 0 HA CYS A 68 -4.835 11.204 0.374 1.00671.20 H new ATOM 0 HB2 CYS A 68 -4.146 10.261 -2.280 1.00629.47 H new ATOM 0 HB3 CYS A 68 -3.529 9.721 -0.732 1.00629.47 H new ATOM 0 HG CYS A 68 -5.345 7.711 -0.333 1.00845.47 H new ATOM 1076 N LYS A 69 -6.343 12.278 -2.337 1.00786.15 N ATOM 1077 CA LYS A 69 -6.539 13.425 -3.229 1.00870.47 C ATOM 1078 C LYS A 69 -6.857 14.700 -2.445 1.00966.55 C ATOM 1079 O LYS A 69 -6.707 15.808 -2.962 1.00999.99 O ATOM 1080 CB LYS A 69 -7.689 13.120 -4.203 1.00999.99 C ATOM 1081 CG LYS A 69 -8.010 14.362 -5.047 1.00999.99 C ATOM 1082 CD LYS A 69 -9.146 14.042 -6.025 1.00999.99 C ATOM 1083 CE LYS A 69 -9.492 15.297 -6.832 1.00999.99 C ATOM 1084 NZ LYS A 69 -10.600 14.992 -7.785 1.00999.99 N ATOM 0 H LYS A 69 -7.025 11.530 -2.465 1.00786.15 H new ATOM 0 HA LYS A 69 -5.612 13.591 -3.778 1.00870.47 H new ATOM 0 HB2 LYS A 69 -7.414 12.290 -4.854 1.00999.99 H new ATOM 0 HB3 LYS A 69 -8.574 12.810 -3.647 1.00999.99 H new ATOM 0 HG2 LYS A 69 -8.298 15.190 -4.399 1.00999.99 H new ATOM 0 HG3 LYS A 69 -7.123 14.680 -5.596 1.00999.99 H new ATOM 0 HD2 LYS A 69 -8.847 13.236 -6.695 1.00999.99 H new ATOM 0 HD3 LYS A 69 -10.023 13.694 -5.479 1.00999.99 H new ATOM 0 HE2 LYS A 69 -9.788 16.103 -6.160 1.00999.99 H new ATOM 0 HE3 LYS A 69 -8.615 15.644 -7.378 1.00999.99 H new ATOM 0 HZ1 LYS A 69 -10.833 15.846 -8.331 1.00999.99 H new ATOM 0 HZ2 LYS A 69 -10.301 14.236 -8.434 1.00999.99 H new ATOM 0 HZ3 LYS A 69 -11.439 14.681 -7.254 1.00999.99 H new ATOM 1098 N GLU A 70 -7.318 14.540 -1.207 1.00992.46 N ATOM 1099 CA GLU A 70 -7.682 15.691 -0.381 1.00999.99 C ATOM 1100 C GLU A 70 -6.447 16.460 0.080 1.00999.99 C ATOM 1101 O GLU A 70 -6.463 17.691 0.130 1.00999.99 O ATOM 1102 CB GLU A 70 -8.471 15.217 0.843 1.00999.99 C ATOM 1103 CG GLU A 70 -9.826 14.663 0.393 1.00999.99 C ATOM 1104 CD GLU A 70 -10.601 14.100 1.587 1.00999.99 C ATOM 1105 OE1 GLU A 70 -10.101 14.185 2.697 1.00999.99 O ATOM 1106 OE2 GLU A 70 -11.687 13.588 1.370 1.00999.99 O ATOM 0 H GLU A 70 -7.448 13.634 -0.756 1.00992.46 H new ATOM 0 HA GLU A 70 -8.294 16.359 -0.986 1.00999.99 H new ATOM 0 HB2 GLU A 70 -7.910 14.449 1.375 1.00999.99 H new ATOM 0 HB3 GLU A 70 -8.617 16.044 1.538 1.00999.99 H new ATOM 0 HG2 GLU A 70 -10.407 15.452 -0.085 1.00999.99 H new ATOM 0 HG3 GLU A 70 -9.676 13.881 -0.352 1.00999.99 H new ATOM 1113 N HIS A 71 -5.383 15.739 0.409 1.00910.00 N ATOM 1114 CA HIS A 71 -4.150 16.381 0.858 1.00906.67 C ATOM 1115 C HIS A 71 -3.266 16.726 -0.335 1.00848.28 C ATOM 1116 O HIS A 71 -2.887 15.845 -1.098 1.00773.55 O ATOM 1117 CB HIS A 71 -3.391 15.452 1.802 1.00905.59 C ATOM 1118 CG HIS A 71 -4.222 15.216 3.031 1.00999.99 C ATOM 1119 ND1 HIS A 71 -4.476 16.217 3.954 1.00999.99 N ATOM 1120 CD2 HIS A 71 -4.872 14.103 3.493 1.00999.99 C ATOM 1121 CE1 HIS A 71 -5.252 15.690 4.917 1.00999.99 C ATOM 1122 NE2 HIS A 71 -5.523 14.403 4.686 1.00999.99 N ATOM 0 H HIS A 71 -5.346 14.720 0.375 1.00910.00 H new ATOM 0 HA HIS A 71 -4.410 17.299 1.385 1.00906.67 H new ATOM 0 HB2 HIS A 71 -3.176 14.506 1.306 1.00905.59 H new ATOM 0 HB3 HIS A 71 -2.433 15.894 2.075 1.00905.59 H new ATOM 0 HD2 HIS A 71 -4.879 13.139 3.006 1.00999.99 H new ATOM 0 HE1 HIS A 71 -5.612 16.241 5.773 1.00999.99 H new ATOM 0 HE2 HIS A 71 -6.086 13.775 5.260 1.00999.99 H new ATOM 1130 N ASP A 72 -2.955 18.011 -0.501 1.00951.99 N ATOM 1131 CA ASP A 72 -2.122 18.451 -1.618 1.00966.30 C ATOM 1132 C ASP A 72 -0.732 17.826 -1.552 1.00905.95 C ATOM 1133 O ASP A 72 -0.181 17.417 -2.575 1.00846.19 O ATOM 1134 CB ASP A 72 -2.000 19.978 -1.597 1.00999.99 C ATOM 1135 CG ASP A 72 -0.980 20.435 -2.637 1.00999.99 C ATOM 1136 OD1 ASP A 72 -1.288 20.360 -3.815 1.00999.99 O ATOM 1137 OD2 ASP A 72 0.099 20.848 -2.239 1.00999.99 O ATOM 0 H ASP A 72 -3.265 18.760 0.119 1.00951.99 H new ATOM 0 HA ASP A 72 -2.597 18.128 -2.545 1.00966.30 H new ATOM 0 HB2 ASP A 72 -2.970 20.431 -1.803 1.00999.99 H new ATOM 0 HB3 ASP A 72 -1.696 20.313 -0.605 1.00999.99 H new ATOM 1142 N VAL A 73 -0.167 17.759 -0.350 1.00993.31 N ATOM 1143 CA VAL A 73 1.162 17.186 -0.178 1.00999.99 C ATOM 1144 C VAL A 73 1.170 15.726 -0.625 1.00839.39 C ATOM 1145 O VAL A 73 2.049 15.301 -1.375 1.00829.57 O ATOM 1146 CB VAL A 73 1.579 17.281 1.298 1.00999.99 C ATOM 1147 CG1 VAL A 73 2.892 16.524 1.522 1.00999.99 C ATOM 1148 CG2 VAL A 73 1.768 18.753 1.683 1.00999.99 C ATOM 0 H VAL A 73 -0.604 18.091 0.510 1.00993.31 H new ATOM 0 HA VAL A 73 1.870 17.744 -0.791 1.00999.99 H new ATOM 0 HB VAL A 73 0.800 16.837 1.917 1.00999.99 H new ATOM 0 HG11 VAL A 73 3.180 16.597 2.571 1.00999.99 H new ATOM 0 HG12 VAL A 73 2.758 15.476 1.254 1.00999.99 H new ATOM 0 HG13 VAL A 73 3.674 16.960 0.900 1.00999.99 H new ATOM 0 HG21 VAL A 73 2.064 18.820 2.730 1.00999.99 H new ATOM 0 HG22 VAL A 73 2.543 19.196 1.058 1.00999.99 H new ATOM 0 HG23 VAL A 73 0.832 19.291 1.535 1.00999.99 H new ATOM 1158 N ILE A 74 0.177 14.970 -0.164 1.00759.17 N ATOM 1159 CA ILE A 74 0.067 13.559 -0.524 1.00640.39 C ATOM 1160 C ILE A 74 -0.587 13.402 -1.895 1.00513.18 C ATOM 1161 O ILE A 74 -0.347 12.416 -2.580 1.00448.21 O ATOM 1162 CB ILE A 74 -0.732 12.801 0.546 1.00706.01 C ATOM 1163 CG1 ILE A 74 -0.136 13.097 1.933 1.00906.56 C ATOM 1164 CG2 ILE A 74 -0.647 11.295 0.275 1.00677.60 C ATOM 1165 CD1 ILE A 74 -0.900 12.310 3.007 1.00999.99 C ATOM 0 H ILE A 74 -0.559 15.308 0.456 1.00759.17 H new ATOM 0 HA ILE A 74 1.070 13.134 -0.576 1.00640.39 H new ATOM 0 HB ILE A 74 -1.773 13.122 0.516 1.00706.01 H new ATOM 0 HG12 ILE A 74 0.919 12.824 1.951 1.00906.56 H new ATOM 0 HG13 ILE A 74 -0.193 14.165 2.143 1.00906.56 H new ATOM 0 HG21 ILE A 74 -1.214 10.756 1.034 1.00677.60 H new ATOM 0 HG22 ILE A 74 -1.062 11.078 -0.709 1.00677.60 H new ATOM 0 HG23 ILE A 74 0.395 10.978 0.307 1.00677.60 H new ATOM 0 HD11 ILE A 74 -0.473 12.524 3.987 1.00999.99 H new ATOM 0 HD12 ILE A 74 -1.949 12.604 2.996 1.00999.99 H new ATOM 0 HD13 ILE A 74 -0.820 11.243 2.802 1.00999.99 H new ATOM 1177 N GLY A 75 -1.415 14.378 -2.282 1.00579.23 N ATOM 1178 CA GLY A 75 -2.111 14.342 -3.578 1.00546.28 C ATOM 1179 C GLY A 75 -1.381 13.447 -4.570 1.00519.41 C ATOM 1180 O GLY A 75 -1.806 12.325 -4.816 1.00655.90 O ATOM 0 H GLY A 75 -1.621 15.203 -1.719 1.00579.23 H new ATOM 0 HA2 GLY A 75 -3.129 13.979 -3.437 1.00546.28 H new ATOM 0 HA3 GLY A 75 -2.186 15.352 -3.982 1.00546.28 H new ATOM 1184 N THR A 76 -0.307 13.983 -5.156 1.00527.93 N ATOM 1185 CA THR A 76 0.503 13.266 -6.158 1.00539.79 C ATOM 1186 C THR A 76 0.423 11.738 -6.011 1.00463.72 C ATOM 1187 O THR A 76 0.475 11.017 -7.010 1.00473.28 O ATOM 1188 CB THR A 76 1.969 13.705 -6.044 1.00639.27 C ATOM 1189 OG1 THR A 76 2.167 14.390 -4.814 1.00866.78 O ATOM 1190 CG2 THR A 76 2.330 14.631 -7.206 1.00789.27 C ATOM 0 H THR A 76 0.029 14.924 -4.953 1.00527.93 H new ATOM 0 HA THR A 76 0.095 13.521 -7.136 1.00539.79 H new ATOM 0 HB THR A 76 2.608 12.822 -6.078 1.00639.27 H new ATOM 0 HG1 THR A 76 3.104 14.668 -4.742 1.00866.78 H new ATOM 0 HG21 THR A 76 3.372 14.937 -7.117 1.00789.27 H new ATOM 0 HG22 THR A 76 2.186 14.104 -8.149 1.00789.27 H new ATOM 0 HG23 THR A 76 1.689 15.512 -7.181 1.00789.27 H new ATOM 1198 N LYS A 77 0.289 11.243 -4.780 1.00421.27 N ATOM 1199 CA LYS A 77 0.197 9.800 -4.549 1.00387.97 C ATOM 1200 C LYS A 77 -0.954 9.189 -5.354 1.00387.45 C ATOM 1201 O LYS A 77 -0.876 8.028 -5.755 1.00380.59 O ATOM 1202 CB LYS A 77 0.023 9.498 -3.044 1.00394.59 C ATOM 1203 CG LYS A 77 -1.305 8.766 -2.787 1.00428.35 C ATOM 1204 CD LYS A 77 -1.364 8.262 -1.338 1.00625.28 C ATOM 1205 CE LYS A 77 -0.439 7.053 -1.165 1.00728.45 C ATOM 1206 NZ LYS A 77 -1.155 5.969 -0.431 1.00999.99 N ATOM 0 H LYS A 77 0.242 11.813 -3.935 1.00421.27 H new ATOM 0 HA LYS A 77 1.128 9.345 -4.887 1.00387.97 H new ATOM 0 HB2 LYS A 77 0.855 8.888 -2.692 1.00394.59 H new ATOM 0 HB3 LYS A 77 0.047 10.428 -2.476 1.00394.59 H new ATOM 0 HG2 LYS A 77 -2.142 9.438 -2.980 1.00428.35 H new ATOM 0 HG3 LYS A 77 -1.405 7.927 -3.475 1.00428.35 H new ATOM 0 HD2 LYS A 77 -1.067 9.058 -0.655 1.00625.28 H new ATOM 0 HD3 LYS A 77 -2.387 7.987 -1.081 1.00625.28 H new ATOM 0 HE2 LYS A 77 -0.113 6.691 -2.140 1.00728.45 H new ATOM 0 HE3 LYS A 77 0.457 7.345 -0.618 1.00728.45 H new ATOM 0 HZ1 LYS A 77 -0.507 5.171 -0.272 1.00999.99 H new ATOM 0 HZ2 LYS A 77 -1.489 6.332 0.485 1.00999.99 H new ATOM 0 HZ3 LYS A 77 -1.968 5.647 -0.994 1.00999.99 H new ATOM 1220 N VAL A 78 -2.005 9.972 -5.608 1.00424.27 N ATOM 1221 CA VAL A 78 -3.140 9.490 -6.388 1.00469.88 C ATOM 1222 C VAL A 78 -2.724 9.268 -7.841 1.00494.56 C ATOM 1223 O VAL A 78 -3.039 8.238 -8.435 1.00520.74 O ATOM 1224 CB VAL A 78 -4.281 10.519 -6.316 1.00546.23 C ATOM 1225 CG1 VAL A 78 -5.172 10.416 -7.559 1.00722.12 C ATOM 1226 CG2 VAL A 78 -5.126 10.259 -5.064 1.00812.96 C ATOM 0 H VAL A 78 -2.091 10.936 -5.286 1.00424.27 H new ATOM 0 HA VAL A 78 -3.483 8.541 -5.977 1.00469.88 H new ATOM 0 HB VAL A 78 -3.850 11.519 -6.271 1.00546.23 H new ATOM 0 HG11 VAL A 78 -5.975 11.150 -7.493 1.00722.12 H new ATOM 0 HG12 VAL A 78 -4.576 10.609 -8.451 1.00722.12 H new ATOM 0 HG13 VAL A 78 -5.600 9.415 -7.618 1.00722.12 H new ATOM 0 HG21 VAL A 78 -5.935 10.988 -5.013 1.00812.96 H new ATOM 0 HG22 VAL A 78 -5.546 9.254 -5.111 1.00812.96 H new ATOM 0 HG23 VAL A 78 -4.499 10.349 -4.177 1.00812.96 H new ATOM 1236 N CYS A 79 -2.013 10.246 -8.401 1.00517.73 N ATOM 1237 CA CYS A 79 -1.554 10.152 -9.784 1.00580.42 C ATOM 1238 C CYS A 79 -0.597 8.977 -9.940 1.00541.96 C ATOM 1239 O CYS A 79 -0.694 8.207 -10.896 1.00582.99 O ATOM 1240 CB CYS A 79 -0.852 11.449 -10.192 1.00654.61 C ATOM 1241 SG CYS A 79 -2.089 12.681 -10.670 1.00771.91 S ATOM 0 H CYS A 79 -1.745 11.106 -7.922 1.00517.73 H new ATOM 0 HA CYS A 79 -2.418 9.995 -10.430 1.00580.42 H new ATOM 0 HB2 CYS A 79 -0.250 11.825 -9.365 1.00654.61 H new ATOM 0 HB3 CYS A 79 -0.171 11.261 -11.022 1.00654.61 H new ATOM 0 HG CYS A 79 -1.493 13.784 -11.014 1.00771.91 H new ATOM 1247 N ALA A 80 0.316 8.840 -8.982 1.00483.48 N ATOM 1248 CA ALA A 80 1.278 7.746 -9.006 1.00468.62 C ATOM 1249 C ALA A 80 0.551 6.414 -8.831 1.00439.92 C ATOM 1250 O ALA A 80 0.866 5.431 -9.501 1.00470.01 O ATOM 1251 CB ALA A 80 2.302 7.929 -7.884 1.00436.90 C ATOM 0 H ALA A 80 0.409 9.469 -8.185 1.00483.48 H new ATOM 0 HA ALA A 80 1.796 7.748 -9.965 1.00468.62 H new ATOM 0 HB1 ALA A 80 3.018 7.108 -7.908 1.00436.90 H new ATOM 0 HB2 ALA A 80 2.828 8.874 -8.022 1.00436.90 H new ATOM 0 HB3 ALA A 80 1.790 7.936 -6.922 1.00436.90 H new ATOM 1257 N LEU A 81 -0.430 6.403 -7.930 1.00407.97 N ATOM 1258 CA LEU A 81 -1.217 5.203 -7.667 1.00420.51 C ATOM 1259 C LEU A 81 -1.982 4.786 -8.919 1.00498.91 C ATOM 1260 O LEU A 81 -2.009 3.608 -9.279 1.00527.52 O ATOM 1261 CB LEU A 81 -2.204 5.474 -6.519 1.00426.99 C ATOM 1262 CG LEU A 81 -3.143 4.274 -6.333 1.00512.39 C ATOM 1263 CD1 LEU A 81 -2.337 3.045 -5.910 1.00589.99 C ATOM 1264 CD2 LEU A 81 -4.180 4.597 -5.251 1.00703.45 C ATOM 0 H LEU A 81 -0.698 7.213 -7.370 1.00407.97 H new ATOM 0 HA LEU A 81 -0.544 4.394 -7.383 1.00420.51 H new ATOM 0 HB2 LEU A 81 -1.656 5.663 -5.596 1.00426.99 H new ATOM 0 HB3 LEU A 81 -2.786 6.370 -6.734 1.00426.99 H new ATOM 0 HG LEU A 81 -3.649 4.067 -7.276 1.00512.39 H new ATOM 0 HD11 LEU A 81 -3.009 2.197 -5.780 1.00589.99 H new ATOM 0 HD12 LEU A 81 -1.601 2.810 -6.679 1.00589.99 H new ATOM 0 HD13 LEU A 81 -1.826 3.251 -4.970 1.00589.99 H new ATOM 0 HD21 LEU A 81 -4.846 3.744 -5.120 1.00703.45 H new ATOM 0 HD22 LEU A 81 -3.671 4.808 -4.311 1.00703.45 H new ATOM 0 HD23 LEU A 81 -4.761 5.469 -5.553 1.00703.45 H new ATOM 1276 N LEU A 82 -2.598 5.766 -9.577 1.00555.88 N ATOM 1277 CA LEU A 82 -3.361 5.504 -10.794 1.00664.13 C ATOM 1278 C LEU A 82 -2.441 4.967 -11.885 1.00686.96 C ATOM 1279 O LEU A 82 -2.791 4.024 -12.593 1.00750.82 O ATOM 1280 CB LEU A 82 -4.050 6.789 -11.267 1.00751.54 C ATOM 1281 CG LEU A 82 -5.181 6.445 -12.246 1.00938.54 C ATOM 1282 CD1 LEU A 82 -6.240 5.588 -11.542 1.00999.99 C ATOM 1283 CD2 LEU A 82 -5.831 7.738 -12.746 1.00999.99 C ATOM 0 H LEU A 82 -2.584 6.744 -9.289 1.00555.88 H new ATOM 0 HA LEU A 82 -4.123 4.754 -10.579 1.00664.13 H new ATOM 0 HB2 LEU A 82 -4.450 7.333 -10.412 1.00751.54 H new ATOM 0 HB3 LEU A 82 -3.325 7.444 -11.751 1.00751.54 H new ATOM 0 HG LEU A 82 -4.768 5.888 -13.087 1.00938.54 H new ATOM 0 HD11 LEU A 82 -7.039 5.348 -12.243 1.00999.99 H new ATOM 0 HD12 LEU A 82 -5.782 4.666 -11.184 1.00999.99 H new ATOM 0 HD13 LEU A 82 -6.652 6.140 -10.697 1.00999.99 H new ATOM 0 HD21 LEU A 82 -6.635 7.496 -13.442 1.00999.99 H new ATOM 0 HD22 LEU A 82 -6.238 8.292 -11.900 1.00999.99 H new ATOM 0 HD23 LEU A 82 -5.084 8.348 -13.253 1.00999.99 H new ATOM 1295 N ASP A 83 -1.264 5.579 -12.015 1.00660.49 N ATOM 1296 CA ASP A 83 -0.296 5.149 -13.020 1.00713.31 C ATOM 1297 C ASP A 83 0.183 3.732 -12.716 1.00680.53 C ATOM 1298 O ASP A 83 0.364 2.921 -13.626 1.00760.39 O ATOM 1299 CB ASP A 83 0.903 6.108 -13.039 1.00721.78 C ATOM 1300 CG ASP A 83 0.613 7.323 -13.928 1.00885.56 C ATOM 1301 OD1 ASP A 83 -0.248 7.224 -14.788 1.00999.99 O ATOM 1302 OD2 ASP A 83 1.260 8.337 -13.732 1.00973.08 O ATOM 0 H ASP A 83 -0.961 6.367 -11.442 1.00660.49 H new ATOM 0 HA ASP A 83 -0.778 5.159 -13.997 1.00713.31 H new ATOM 0 HB2 ASP A 83 1.126 6.439 -12.025 1.00721.78 H new ATOM 0 HB3 ASP A 83 1.787 5.586 -13.406 1.00721.78 H new ATOM 1307 N ARG A 84 0.374 3.433 -11.432 1.00589.92 N ATOM 1308 CA ARG A 84 0.813 2.100 -11.023 1.00583.56 C ATOM 1309 C ARG A 84 -0.257 1.066 -11.338 1.00630.94 C ATOM 1310 O ARG A 84 0.043 -0.040 -11.789 1.00692.12 O ATOM 1311 CB ARG A 84 1.157 2.082 -9.531 1.00519.00 C ATOM 1312 CG ARG A 84 2.498 2.795 -9.325 1.00460.80 C ATOM 1313 CD ARG A 84 2.812 2.901 -7.833 1.00578.99 C ATOM 1314 NE ARG A 84 4.140 3.480 -7.653 1.00759.11 N ATOM 1315 CZ ARG A 84 4.497 4.068 -6.514 1.00898.21 C ATOM 1316 NH1 ARG A 84 3.632 4.211 -5.546 1.00911.01 N ATOM 1317 NH2 ARG A 84 5.712 4.518 -6.375 1.00999.99 N ATOM 0 H ARG A 84 0.233 4.089 -10.664 1.00589.92 H new ATOM 0 HA ARG A 84 1.712 1.846 -11.585 1.00583.56 H new ATOM 0 HB2 ARG A 84 0.374 2.578 -8.957 1.00519.00 H new ATOM 0 HB3 ARG A 84 1.216 1.055 -9.170 1.00519.00 H new ATOM 0 HG2 ARG A 84 3.292 2.248 -9.834 1.00460.80 H new ATOM 0 HG3 ARG A 84 2.462 3.790 -9.769 1.00460.80 H new ATOM 0 HD2 ARG A 84 2.064 3.519 -7.337 1.00578.99 H new ATOM 0 HD3 ARG A 84 2.768 1.915 -7.371 1.00578.99 H new ATOM 0 HE ARG A 84 4.811 3.433 -8.420 1.00759.11 H new ATOM 0 HH11 ARG A 84 2.677 3.871 -5.661 1.00911.01 H new ATOM 0 HH12 ARG A 84 3.911 4.663 -4.675 1.00911.01 H new ATOM 0 HH21 ARG A 84 6.383 4.419 -7.137 1.00999.99 H new ATOM 0 HH22 ARG A 84 5.992 4.970 -5.504 1.00999.99 H new ATOM 1331 N LEU A 85 -1.507 1.446 -11.110 1.00627.93 N ATOM 1332 CA LEU A 85 -2.633 0.564 -11.383 1.00709.13 C ATOM 1333 C LEU A 85 -2.865 0.456 -12.892 1.00815.80 C ATOM 1334 O LEU A 85 -3.442 -0.520 -13.373 1.00910.79 O ATOM 1335 CB LEU A 85 -3.895 1.116 -10.704 1.00705.05 C ATOM 1336 CG LEU A 85 -4.997 0.050 -10.691 1.00818.96 C ATOM 1337 CD1 LEU A 85 -5.018 -0.651 -9.330 1.00934.11 C ATOM 1338 CD2 LEU A 85 -6.354 0.712 -10.946 1.00985.93 C ATOM 0 H LEU A 85 -1.767 2.359 -10.737 1.00627.93 H new ATOM 0 HA LEU A 85 -2.411 -0.427 -10.988 1.00709.13 H new ATOM 0 HB2 LEU A 85 -3.664 1.423 -9.684 1.00705.05 H new ATOM 0 HB3 LEU A 85 -4.243 2.003 -11.233 1.00705.05 H new ATOM 0 HG LEU A 85 -4.799 -0.683 -11.473 1.00818.96 H new ATOM 0 HD11 LEU A 85 -5.802 -1.408 -9.323 1.00934.11 H new ATOM 0 HD12 LEU A 85 -4.053 -1.126 -9.150 1.00934.11 H new ATOM 0 HD13 LEU A 85 -5.214 0.081 -8.547 1.00934.11 H new ATOM 0 HD21 LEU A 85 -7.136 -0.047 -10.937 1.00985.93 H new ATOM 0 HD22 LEU A 85 -6.552 1.447 -10.166 1.00985.93 H new ATOM 0 HD23 LEU A 85 -6.341 1.207 -11.917 1.00985.93 H new ATOM 1350 N ALA A 86 -2.425 1.481 -13.630 1.00838.04 N ATOM 1351 CA ALA A 86 -2.607 1.517 -15.080 1.00974.10 C ATOM 1352 C ALA A 86 -1.894 0.357 -15.774 1.00999.99 C ATOM 1353 O ALA A 86 -2.453 -0.255 -16.686 1.00999.99 O ATOM 1354 CB ALA A 86 -2.087 2.845 -15.638 1.00999.99 C ATOM 0 H ALA A 86 -1.942 2.293 -13.246 1.00838.04 H new ATOM 0 HA ALA A 86 -3.674 1.421 -15.279 1.00974.10 H new ATOM 0 HB1 ALA A 86 -2.226 2.865 -16.719 1.00999.99 H new ATOM 0 HB2 ALA A 86 -2.638 3.670 -15.186 1.00999.99 H new ATOM 0 HB3 ALA A 86 -1.027 2.947 -15.406 1.00999.99 H new ATOM 1360 N GLY A 87 -0.666 0.056 -15.352 1.00996.07 N ATOM 1361 CA GLY A 87 0.079 -1.038 -15.974 1.00999.99 C ATOM 1362 C GLY A 87 1.432 -1.266 -15.308 1.00999.99 C ATOM 1363 O GLY A 87 1.733 -2.376 -14.867 1.00999.99 O ATOM 0 H GLY A 87 -0.175 0.541 -14.601 1.00996.07 H new ATOM 0 HA2 GLY A 87 -0.510 -1.954 -15.919 1.00999.99 H new ATOM 0 HA3 GLY A 87 0.229 -0.818 -17.031 1.00999.99 H new ATOM 1367 N ASP A 88 2.250 -0.216 -15.246 1.00899.71 N ATOM 1368 CA ASP A 88 3.577 -0.325 -14.637 1.00838.30 C ATOM 1369 C ASP A 88 3.490 -0.060 -13.144 1.00520.98 C ATOM 1370 O ASP A 88 3.145 1.043 -12.730 1.00619.61 O ATOM 1371 CB ASP A 88 4.546 0.679 -15.279 1.00999.99 C ATOM 1372 CG ASP A 88 4.908 0.251 -16.703 1.00999.99 C ATOM 1373 OD1 ASP A 88 4.685 -0.901 -17.041 1.00999.99 O ATOM 1374 OD2 ASP A 88 5.408 1.088 -17.439 1.00999.99 O ATOM 0 H ASP A 88 2.022 0.711 -15.606 1.00899.71 H new ATOM 0 HA ASP A 88 3.950 -1.336 -14.804 1.00838.30 H new ATOM 0 HB2 ASP A 88 4.091 1.670 -15.297 1.00999.99 H new ATOM 0 HB3 ASP A 88 5.451 0.754 -14.676 1.00999.99 H new ATOM 1379 N TYR A 89 3.801 -1.075 -12.340 1.00422.59 N ATOM 1380 CA TYR A 89 3.744 -0.943 -10.885 1.00364.23 C ATOM 1381 C TYR A 89 5.155 -0.946 -10.294 1.00294.05 C ATOM 1382 O TYR A 89 5.927 -0.013 -10.519 1.00424.42 O ATOM 1383 CB TYR A 89 2.897 -2.093 -10.297 1.00510.19 C ATOM 1384 CG TYR A 89 3.071 -3.348 -11.140 1.00754.80 C ATOM 1385 CD1 TYR A 89 2.242 -3.556 -12.251 1.00953.63 C ATOM 1386 CD2 TYR A 89 4.062 -4.296 -10.827 1.00999.99 C ATOM 1387 CE1 TYR A 89 2.400 -4.700 -13.042 1.00999.99 C ATOM 1388 CE2 TYR A 89 4.219 -5.436 -11.622 1.00999.99 C ATOM 1389 CZ TYR A 89 3.390 -5.639 -12.725 1.00999.99 C ATOM 1390 OH TYR A 89 3.550 -6.764 -13.507 1.00999.99 O ATOM 0 H TYR A 89 4.094 -1.995 -12.670 1.00422.59 H new ATOM 0 HA TYR A 89 3.275 0.006 -10.626 1.00364.23 H new ATOM 0 HB2 TYR A 89 3.200 -2.290 -9.269 1.00510.19 H new ATOM 0 HB3 TYR A 89 1.846 -1.805 -10.270 1.00510.19 H new ATOM 0 HD1 TYR A 89 1.480 -2.832 -12.497 1.00953.63 H new ATOM 0 HD2 TYR A 89 4.703 -4.143 -9.971 1.00999.99 H new ATOM 0 HE1 TYR A 89 1.759 -4.859 -13.896 1.00999.99 H new ATOM 0 HE2 TYR A 89 4.983 -6.160 -11.381 1.00999.99 H new ATOM 0 HH TYR A 89 4.281 -7.310 -13.149 1.00999.99 H new ATOM 1400 N VAL A 90 5.495 -2.005 -9.569 1.00235.15 N ATOM 1401 CA VAL A 90 6.816 -2.151 -8.978 1.00206.72 C ATOM 1402 C VAL A 90 7.137 -3.646 -8.876 1.00186.74 C ATOM 1403 O VAL A 90 6.471 -4.383 -8.151 1.00199.10 O ATOM 1404 CB VAL A 90 6.879 -1.487 -7.586 1.00206.26 C ATOM 1405 CG1 VAL A 90 7.458 -0.069 -7.695 1.00390.26 C ATOM 1406 CG2 VAL A 90 5.477 -1.394 -6.981 1.00240.87 C ATOM 0 H VAL A 90 4.864 -2.783 -9.376 1.00235.15 H new ATOM 0 HA VAL A 90 7.553 -1.653 -9.608 1.00206.72 H new ATOM 0 HB VAL A 90 7.519 -2.098 -6.949 1.00206.26 H new ATOM 0 HG11 VAL A 90 7.496 0.386 -6.705 1.00390.26 H new ATOM 0 HG12 VAL A 90 8.464 -0.118 -8.111 1.00390.26 H new ATOM 0 HG13 VAL A 90 6.825 0.533 -8.347 1.00390.26 H new ATOM 0 HG21 VAL A 90 5.535 -0.924 -5.999 1.00240.87 H new ATOM 0 HG22 VAL A 90 4.839 -0.797 -7.632 1.00240.87 H new ATOM 0 HG23 VAL A 90 5.057 -2.395 -6.880 1.00240.87 H new ATOM 1416 N TYR A 91 8.156 -4.083 -9.610 1.00188.92 N ATOM 1417 CA TYR A 91 8.555 -5.495 -9.598 1.00181.31 C ATOM 1418 C TYR A 91 9.220 -5.785 -8.260 1.00154.51 C ATOM 1419 O TYR A 91 9.653 -4.846 -7.599 1.00182.52 O ATOM 1420 CB TYR A 91 9.545 -5.768 -10.736 1.00264.00 C ATOM 1421 CG TYR A 91 9.032 -5.140 -12.014 1.00269.48 C ATOM 1422 CD1 TYR A 91 7.991 -5.741 -12.733 1.00287.38 C ATOM 1423 CD2 TYR A 91 9.595 -3.939 -12.472 1.00325.53 C ATOM 1424 CE1 TYR A 91 7.514 -5.142 -13.908 1.00336.43 C ATOM 1425 CE2 TYR A 91 9.116 -3.341 -13.642 1.00356.11 C ATOM 1426 CZ TYR A 91 8.076 -3.942 -14.361 1.00349.25 C ATOM 1427 OH TYR A 91 7.602 -3.349 -15.514 1.00421.31 O ATOM 0 H TYR A 91 8.720 -3.488 -10.218 1.00188.92 H new ATOM 0 HA TYR A 91 7.683 -6.134 -9.736 1.00181.31 H new ATOM 0 HB2 TYR A 91 10.524 -5.360 -10.486 1.00264.00 H new ATOM 0 HB3 TYR A 91 9.672 -6.842 -10.872 1.00264.00 H new ATOM 0 HD1 TYR A 91 7.556 -6.665 -12.383 1.00287.38 H new ATOM 0 HD2 TYR A 91 10.399 -3.476 -11.920 1.00325.53 H new ATOM 0 HE1 TYR A 91 6.713 -5.606 -14.464 1.00336.43 H new ATOM 0 HE2 TYR A 91 9.549 -2.415 -13.991 1.00356.11 H new ATOM 0 HH TYR A 91 8.100 -2.523 -15.686 1.00421.31 H new ATOM 1437 N LEU A 92 9.327 -7.047 -7.825 1.00133.41 N ATOM 1438 CA LEU A 92 9.973 -7.337 -6.554 1.00142.25 C ATOM 1439 C LEU A 92 10.684 -8.683 -6.683 1.00160.87 C ATOM 1440 O LEU A 92 10.113 -9.637 -7.215 1.00157.54 O ATOM 1441 CB LEU A 92 8.922 -7.399 -5.429 1.00140.89 C ATOM 1442 CG LEU A 92 9.535 -8.016 -4.161 1.00172.11 C ATOM 1443 CD1 LEU A 92 8.758 -7.543 -2.926 1.00247.34 C ATOM 1444 CD2 LEU A 92 9.459 -9.549 -4.240 1.00206.93 C ATOM 0 H LEU A 92 8.980 -7.864 -8.328 1.00133.41 H new ATOM 0 HA LEU A 92 10.690 -6.554 -6.307 1.00142.25 H new ATOM 0 HB2 LEU A 92 8.552 -6.397 -5.212 1.00140.89 H new ATOM 0 HB3 LEU A 92 8.067 -7.992 -5.753 1.00140.89 H new ATOM 0 HG LEU A 92 10.576 -7.702 -4.084 1.00172.11 H new ATOM 0 HD11 LEU A 92 9.196 -7.983 -2.030 1.00247.34 H new ATOM 0 HD12 LEU A 92 8.808 -6.456 -2.859 1.00247.34 H new ATOM 0 HD13 LEU A 92 7.717 -7.853 -3.011 1.00247.34 H new ATOM 0 HD21 LEU A 92 9.895 -9.982 -3.339 1.00206.93 H new ATOM 0 HD22 LEU A 92 8.417 -9.858 -4.324 1.00206.93 H new ATOM 0 HD23 LEU A 92 10.011 -9.896 -5.113 1.00206.93 H new ATOM 1456 N PHE A 93 11.924 -8.770 -6.213 1.00199.84 N ATOM 1457 CA PHE A 93 12.665 -10.035 -6.313 1.00237.53 C ATOM 1458 C PHE A 93 13.593 -10.252 -5.126 1.00292.50 C ATOM 1459 O PHE A 93 13.916 -9.322 -4.387 1.00328.03 O ATOM 1460 CB PHE A 93 13.478 -10.100 -7.614 1.00292.44 C ATOM 1461 CG PHE A 93 13.329 -8.814 -8.392 1.00409.65 C ATOM 1462 CD1 PHE A 93 14.137 -7.712 -8.093 1.00653.81 C ATOM 1463 CD2 PHE A 93 12.380 -8.728 -9.418 1.00557.62 C ATOM 1464 CE1 PHE A 93 13.996 -6.524 -8.818 1.00999.99 C ATOM 1465 CE2 PHE A 93 12.239 -7.542 -10.142 1.00922.21 C ATOM 1466 CZ PHE A 93 13.046 -6.440 -9.841 1.00999.99 C ATOM 0 H PHE A 93 12.432 -8.005 -5.769 1.00199.84 H new ATOM 0 HA PHE A 93 11.919 -10.830 -6.314 1.00237.53 H new ATOM 0 HB2 PHE A 93 14.529 -10.274 -7.385 1.00292.44 H new ATOM 0 HB3 PHE A 93 13.140 -10.941 -8.220 1.00292.44 H new ATOM 0 HD1 PHE A 93 14.870 -7.778 -7.302 1.00653.81 H new ATOM 0 HD2 PHE A 93 11.757 -9.579 -9.650 1.00557.62 H new ATOM 0 HE1 PHE A 93 14.620 -5.673 -8.588 1.00999.99 H new ATOM 0 HE2 PHE A 93 11.507 -7.476 -10.934 1.00922.21 H new ATOM 0 HZ PHE A 93 12.935 -5.522 -10.400 1.00999.99 H new ATOM 1476 N ASP A 94 14.017 -11.500 -4.957 1.00326.04 N ATOM 1477 CA ASP A 94 14.907 -11.863 -3.862 1.00410.41 C ATOM 1478 C ASP A 94 16.342 -11.442 -4.170 1.00508.21 C ATOM 1479 O ASP A 94 16.611 -10.840 -5.212 1.00524.81 O ATOM 1480 CB ASP A 94 14.852 -13.378 -3.620 1.00438.76 C ATOM 1481 CG ASP A 94 15.369 -14.148 -4.840 1.00574.47 C ATOM 1482 OD1 ASP A 94 15.486 -13.554 -5.902 1.00841.49 O ATOM 1483 OD2 ASP A 94 15.642 -15.329 -4.692 1.00616.44 O ATOM 0 H ASP A 94 13.758 -12.277 -5.565 1.00326.04 H new ATOM 0 HA ASP A 94 14.576 -11.342 -2.964 1.00410.41 H new ATOM 0 HB2 ASP A 94 15.450 -13.632 -2.745 1.00438.76 H new ATOM 0 HB3 ASP A 94 13.827 -13.678 -3.404 1.00438.76 H new ATOM 1488 N GLU A 95 17.254 -11.761 -3.255 1.00622.11 N ATOM 1489 CA GLU A 95 18.663 -11.413 -3.425 1.00768.28 C ATOM 1490 C GLU A 95 19.323 -12.328 -4.460 1.00810.89 C ATOM 1491 O GLU A 95 20.390 -12.896 -4.217 1.00999.99 O ATOM 1492 CB GLU A 95 19.390 -11.533 -2.079 1.00911.56 C ATOM 1493 CG GLU A 95 18.874 -10.453 -1.117 1.00999.99 C ATOM 1494 CD GLU A 95 19.509 -10.607 0.268 1.00999.99 C ATOM 1495 OE1 GLU A 95 20.305 -11.515 0.449 1.00999.99 O ATOM 1496 OE2 GLU A 95 19.189 -9.806 1.132 1.00999.99 O ATOM 0 H GLU A 95 17.044 -12.259 -2.390 1.00622.11 H new ATOM 0 HA GLU A 95 18.730 -10.385 -3.782 1.00768.28 H new ATOM 0 HB2 GLU A 95 19.226 -12.523 -1.653 1.00911.56 H new ATOM 0 HB3 GLU A 95 20.465 -11.422 -2.223 1.00911.56 H new ATOM 0 HG2 GLU A 95 19.101 -9.465 -1.518 1.00999.99 H new ATOM 0 HG3 GLU A 95 17.789 -10.522 -1.034 1.00999.99 H new ATOM 1503 N GLY A 96 18.679 -12.458 -5.616 1.00684.05 N ATOM 1504 CA GLY A 96 19.198 -13.296 -6.695 1.00763.23 C ATOM 1505 C GLY A 96 18.721 -12.783 -8.048 1.00752.54 C ATOM 1506 O GLY A 96 19.526 -12.533 -8.946 1.00951.76 O ATOM 0 H GLY A 96 17.796 -11.994 -5.831 1.00684.05 H new ATOM 0 HA2 GLY A 96 20.288 -13.303 -6.666 1.00763.23 H new ATOM 0 HA3 GLY A 96 18.869 -14.326 -6.554 1.00763.23 H new ATOM 1510 N GLY A 97 17.407 -12.632 -8.183 1.00633.38 N ATOM 1511 CA GLY A 97 16.815 -12.152 -9.427 1.00633.31 C ATOM 1512 C GLY A 97 15.532 -12.910 -9.725 1.00557.09 C ATOM 1513 O GLY A 97 14.689 -12.449 -10.495 1.00556.63 O ATOM 0 H GLY A 97 16.732 -12.835 -7.446 1.00633.38 H new ATOM 0 HA2 GLY A 97 16.606 -11.085 -9.351 1.00633.31 H new ATOM 0 HA3 GLY A 97 17.521 -12.281 -10.248 1.00633.31 H new ATOM 1517 N ASP A 98 15.391 -14.073 -9.099 1.00537.67 N ATOM 1518 CA ASP A 98 14.206 -14.899 -9.283 1.00490.62 C ATOM 1519 C ASP A 98 12.997 -14.250 -8.612 1.00382.67 C ATOM 1520 O ASP A 98 13.095 -13.752 -7.488 1.00357.57 O ATOM 1521 CB ASP A 98 14.448 -16.286 -8.675 1.00530.52 C ATOM 1522 CG ASP A 98 15.267 -17.163 -9.630 1.00659.55 C ATOM 1523 OD1 ASP A 98 15.515 -16.735 -10.747 1.00774.99 O ATOM 1524 OD2 ASP A 98 15.634 -18.253 -9.226 1.00743.65 O ATOM 0 H ASP A 98 16.083 -14.464 -8.460 1.00537.67 H new ATOM 0 HA ASP A 98 14.006 -14.996 -10.350 1.00490.62 H new ATOM 0 HB2 ASP A 98 14.974 -16.185 -7.725 1.00530.52 H new ATOM 0 HB3 ASP A 98 13.493 -16.766 -8.461 1.00530.52 H new ATOM 1529 N GLU A 99 11.860 -14.266 -9.302 1.00363.53 N ATOM 1530 CA GLU A 99 10.638 -13.681 -8.756 1.00292.68 C ATOM 1531 C GLU A 99 10.059 -14.597 -7.680 1.00269.70 C ATOM 1532 O GLU A 99 9.258 -15.487 -7.970 1.00299.83 O ATOM 1533 CB GLU A 99 9.614 -13.474 -9.876 1.00326.92 C ATOM 1534 CG GLU A 99 10.107 -12.377 -10.830 1.00395.15 C ATOM 1535 CD GLU A 99 9.130 -12.193 -11.996 1.00515.56 C ATOM 1536 OE1 GLU A 99 8.107 -12.858 -12.008 1.00594.63 O ATOM 1537 OE2 GLU A 99 9.426 -11.386 -12.862 1.00691.20 O ATOM 0 H GLU A 99 11.759 -14.673 -10.232 1.00363.53 H new ATOM 0 HA GLU A 99 10.874 -12.715 -8.309 1.00292.68 H new ATOM 0 HB2 GLU A 99 9.465 -14.405 -10.423 1.00326.92 H new ATOM 0 HB3 GLU A 99 8.649 -13.195 -9.453 1.00326.92 H new ATOM 0 HG2 GLU A 99 10.214 -11.438 -10.287 1.00395.15 H new ATOM 0 HG3 GLU A 99 11.093 -12.638 -11.213 1.00395.15 H new ATOM 1544 N VAL A 100 10.485 -14.376 -6.438 1.00253.92 N ATOM 1545 CA VAL A 100 10.023 -15.188 -5.316 1.00275.86 C ATOM 1546 C VAL A 100 9.994 -14.361 -4.034 1.00274.32 C ATOM 1547 O VAL A 100 10.797 -13.443 -3.855 1.00282.12 O ATOM 1548 CB VAL A 100 10.949 -16.409 -5.151 1.00333.34 C ATOM 1549 CG1 VAL A 100 11.140 -16.751 -3.668 1.00455.34 C ATOM 1550 CG2 VAL A 100 10.332 -17.618 -5.866 1.00434.03 C ATOM 0 H VAL A 100 11.148 -13.643 -6.184 1.00253.92 H new ATOM 0 HA VAL A 100 9.009 -15.533 -5.518 1.00275.86 H new ATOM 0 HB VAL A 100 11.919 -16.167 -5.586 1.00333.34 H new ATOM 0 HG11 VAL A 100 11.797 -17.616 -3.576 1.00455.34 H new ATOM 0 HG12 VAL A 100 11.586 -15.900 -3.153 1.00455.34 H new ATOM 0 HG13 VAL A 100 10.173 -16.980 -3.220 1.00455.34 H new ATOM 0 HG21 VAL A 100 10.986 -18.482 -5.750 1.00434.03 H new ATOM 0 HG22 VAL A 100 9.357 -17.840 -5.431 1.00434.03 H new ATOM 0 HG23 VAL A 100 10.213 -17.392 -6.926 1.00434.03 H new ATOM 1560 N ILE A 101 9.074 -14.707 -3.137 1.00312.17 N ATOM 1561 CA ILE A 101 8.955 -14.009 -1.865 1.00352.22 C ATOM 1562 C ILE A 101 9.843 -14.687 -0.826 1.00417.99 C ATOM 1563 O ILE A 101 9.715 -15.884 -0.569 1.00462.67 O ATOM 1564 CB ILE A 101 7.495 -14.015 -1.395 1.00419.76 C ATOM 1565 CG1 ILE A 101 6.646 -13.149 -2.335 1.00403.64 C ATOM 1566 CG2 ILE A 101 7.404 -13.455 0.029 1.00501.24 C ATOM 1567 CD1 ILE A 101 6.229 -13.965 -3.561 1.00438.75 C ATOM 0 H ILE A 101 8.403 -15.464 -3.269 1.00312.17 H new ATOM 0 HA ILE A 101 9.276 -12.975 -1.992 1.00352.22 H new ATOM 0 HB ILE A 101 7.123 -15.039 -1.406 1.00419.76 H new ATOM 0 HG12 ILE A 101 5.762 -12.787 -1.810 1.00403.64 H new ATOM 0 HG13 ILE A 101 7.213 -12.272 -2.647 1.00403.64 H new ATOM 0 HG21 ILE A 101 6.365 -13.462 0.357 1.00501.24 H new ATOM 0 HG22 ILE A 101 8.001 -14.072 0.701 1.00501.24 H new ATOM 0 HG23 ILE A 101 7.782 -12.433 0.043 1.00501.24 H new ATOM 0 HD11 ILE A 101 5.627 -13.344 -4.224 1.00438.75 H new ATOM 0 HD12 ILE A 101 7.118 -14.305 -4.091 1.00438.75 H new ATOM 0 HD13 ILE A 101 5.645 -14.828 -3.242 1.00438.75 H new ATOM 1579 N ALA A 102 10.747 -13.909 -0.241 1.00448.60 N ATOM 1580 CA ALA A 102 11.666 -14.429 0.765 1.00546.52 C ATOM 1581 C ALA A 102 11.824 -13.411 1.891 1.00635.24 C ATOM 1582 O ALA A 102 11.249 -12.324 1.833 1.00610.13 O ATOM 1583 CB ALA A 102 13.025 -14.710 0.115 1.00532.60 C ATOM 0 H ALA A 102 10.863 -12.917 -0.446 1.00448.60 H new ATOM 0 HA ALA A 102 11.269 -15.355 1.180 1.00546.52 H new ATOM 0 HB1 ALA A 102 13.714 -15.099 0.865 1.00532.60 H new ATOM 0 HB2 ALA A 102 12.903 -15.445 -0.681 1.00532.60 H new ATOM 0 HB3 ALA A 102 13.427 -13.787 -0.302 1.00532.60 H new ATOM 1589 N PRO A 103 12.589 -13.729 2.904 1.00762.19 N ATOM 1590 CA PRO A 103 12.817 -12.804 4.053 1.00894.07 C ATOM 1591 C PRO A 103 13.307 -11.434 3.584 1.00842.24 C ATOM 1592 O PRO A 103 12.961 -10.408 4.169 1.00896.95 O ATOM 1593 CB PRO A 103 13.888 -13.513 4.889 1.00999.99 C ATOM 1594 CG PRO A 103 13.779 -14.956 4.529 1.00999.99 C ATOM 1595 CD PRO A 103 13.313 -15.001 3.076 1.00825.14 C ATOM 0 HA PRO A 103 11.903 -12.608 4.613 1.00894.07 H new ATOM 0 HB2 PRO A 103 14.882 -13.126 4.665 1.00999.99 H new ATOM 0 HB3 PRO A 103 13.720 -13.360 5.955 1.00999.99 H new ATOM 0 HG2 PRO A 103 14.739 -15.459 4.645 1.00999.99 H new ATOM 0 HG3 PRO A 103 13.070 -15.467 5.181 1.00999.99 H new ATOM 0 HD2 PRO A 103 14.154 -15.080 2.388 1.00825.14 H new ATOM 0 HD3 PRO A 103 12.667 -15.859 2.889 1.00825.14 H new ATOM 1603 N ARG A 104 14.122 -11.436 2.530 1.00767.27 N ATOM 1604 CA ARG A 104 14.667 -10.197 1.983 1.00751.85 C ATOM 1605 C ARG A 104 14.282 -10.040 0.511 1.00586.81 C ATOM 1606 O ARG A 104 14.921 -10.614 -0.373 1.00577.48 O ATOM 1607 CB ARG A 104 16.192 -10.209 2.128 1.00891.51 C ATOM 1608 CG ARG A 104 16.553 -10.418 3.605 1.00999.99 C ATOM 1609 CD ARG A 104 17.559 -11.564 3.742 1.00999.99 C ATOM 1610 NE ARG A 104 18.924 -11.053 3.675 1.00999.99 N ATOM 1611 CZ ARG A 104 19.956 -11.783 4.095 1.00999.99 C ATOM 1612 NH1 ARG A 104 19.762 -12.990 4.555 1.00999.99 N ATOM 1613 NH2 ARG A 104 21.163 -11.293 4.044 1.00999.99 N ATOM 0 H ARG A 104 14.418 -12.280 2.040 1.00767.27 H new ATOM 0 HA ARG A 104 14.252 -9.353 2.535 1.00751.85 H new ATOM 0 HB2 ARG A 104 16.622 -11.005 1.519 1.00891.51 H new ATOM 0 HB3 ARG A 104 16.612 -9.270 1.767 1.00891.51 H new ATOM 0 HG2 ARG A 104 16.975 -9.502 4.018 1.00999.99 H new ATOM 0 HG3 ARG A 104 15.654 -10.642 4.179 1.00999.99 H new ATOM 0 HD2 ARG A 104 17.404 -12.082 4.689 1.00999.99 H new ATOM 0 HD3 ARG A 104 17.398 -12.294 2.949 1.00999.99 H new ATOM 0 HE ARG A 104 19.091 -10.119 3.300 1.00999.99 H new ATOM 0 HH11 ARG A 104 18.819 -13.376 4.593 1.00999.99 H new ATOM 0 HH12 ARG A 104 20.554 -13.547 4.876 1.00999.99 H new ATOM 0 HH21 ARG A 104 21.316 -10.352 3.683 1.00999.99 H new ATOM 0 HH22 ARG A 104 21.954 -11.851 4.365 1.00999.99 H new ATOM 1627 N MET A 105 13.228 -9.261 0.261 1.00524.37 N ATOM 1628 CA MET A 105 12.755 -9.032 -1.106 1.00431.17 C ATOM 1629 C MET A 105 12.895 -7.557 -1.482 1.00407.85 C ATOM 1630 O MET A 105 12.485 -6.674 -0.726 1.00464.07 O ATOM 1631 CB MET A 105 11.282 -9.448 -1.244 1.00429.46 C ATOM 1632 CG MET A 105 10.626 -9.549 0.136 1.00433.36 C ATOM 1633 SD MET A 105 8.831 -9.398 -0.034 1.00462.04 S ATOM 1634 CE MET A 105 8.690 -7.678 0.514 1.00376.51 C ATOM 0 H MET A 105 12.689 -8.781 0.981 1.00524.37 H new ATOM 0 HA MET A 105 13.366 -9.636 -1.777 1.00431.17 H new ATOM 0 HB2 MET A 105 10.748 -8.721 -1.856 1.00429.46 H new ATOM 0 HB3 MET A 105 11.215 -10.407 -1.757 1.00429.46 H new ATOM 0 HG2 MET A 105 10.879 -10.502 0.601 1.00433.36 H new ATOM 0 HG3 MET A 105 11.007 -8.764 0.789 1.00433.36 H new ATOM 0 HE1 MET A 105 7.638 -7.394 0.555 1.00376.51 H new ATOM 0 HE2 MET A 105 9.132 -7.574 1.505 1.00376.51 H new ATOM 0 HE3 MET A 105 9.214 -7.029 -0.187 1.00376.51 H new ATOM 1644 N TYR A 106 13.459 -7.298 -2.660 1.00364.44 N ATOM 1645 CA TYR A 106 13.636 -5.930 -3.140 1.00358.43 C ATOM 1646 C TYR A 106 12.442 -5.519 -3.996 1.00265.95 C ATOM 1647 O TYR A 106 12.301 -5.974 -5.132 1.00235.16 O ATOM 1648 CB TYR A 106 14.929 -5.829 -3.962 1.00442.00 C ATOM 1649 CG TYR A 106 15.032 -4.459 -4.601 1.00424.41 C ATOM 1650 CD1 TYR A 106 15.308 -3.335 -3.813 1.00477.50 C ATOM 1651 CD2 TYR A 106 14.854 -4.318 -5.985 1.00432.98 C ATOM 1652 CE1 TYR A 106 15.403 -2.071 -4.406 1.00528.30 C ATOM 1653 CE2 TYR A 106 14.951 -3.053 -6.581 1.00488.69 C ATOM 1654 CZ TYR A 106 15.225 -1.928 -5.789 1.00530.95 C ATOM 1655 OH TYR A 106 15.319 -0.681 -6.373 1.00650.22 O ATOM 0 H TYR A 106 13.801 -8.016 -3.298 1.00364.44 H new ATOM 0 HA TYR A 106 13.705 -5.259 -2.284 1.00358.43 H new ATOM 0 HB2 TYR A 106 15.792 -6.006 -3.320 1.00442.00 H new ATOM 0 HB3 TYR A 106 14.941 -6.600 -4.732 1.00442.00 H new ATOM 0 HD1 TYR A 106 15.448 -3.444 -2.748 1.00477.50 H new ATOM 0 HD2 TYR A 106 14.642 -5.185 -6.592 1.00432.98 H new ATOM 0 HE1 TYR A 106 15.614 -1.204 -3.797 1.00528.30 H new ATOM 0 HE2 TYR A 106 14.815 -2.945 -7.647 1.00488.69 H new ATOM 0 HH TYR A 106 15.646 -0.774 -7.292 1.00650.22 H new ATOM 1665 N CYS A 107 11.583 -4.664 -3.437 1.00251.60 N ATOM 1666 CA CYS A 107 10.392 -4.197 -4.147 1.00194.42 C ATOM 1667 C CYS A 107 10.633 -2.826 -4.774 1.00222.27 C ATOM 1668 O CYS A 107 10.893 -1.851 -4.070 1.00274.03 O ATOM 1669 CB CYS A 107 9.216 -4.109 -3.172 1.00189.73 C ATOM 1670 SG CYS A 107 7.900 -3.098 -3.897 1.00456.20 S ATOM 0 H CYS A 107 11.690 -4.282 -2.497 1.00251.60 H new ATOM 0 HA CYS A 107 10.165 -4.908 -4.942 1.00194.42 H new ATOM 0 HB2 CYS A 107 8.840 -5.107 -2.949 1.00189.73 H new ATOM 0 HB3 CYS A 107 9.545 -3.674 -2.228 1.00189.73 H new ATOM 0 HG CYS A 107 6.901 -3.026 -3.068 1.00456.20 H new ATOM 1676 N SER A 108 10.536 -2.758 -6.102 1.00213.91 N ATOM 1677 CA SER A 108 10.735 -1.499 -6.814 1.00264.92 C ATOM 1678 C SER A 108 10.434 -1.663 -8.305 1.00265.15 C ATOM 1679 O SER A 108 10.300 -2.779 -8.809 1.00243.03 O ATOM 1680 CB SER A 108 12.174 -1.013 -6.622 1.00359.35 C ATOM 1681 OG SER A 108 12.464 0.007 -7.571 1.00573.24 O ATOM 0 H SER A 108 10.322 -3.555 -6.702 1.00213.91 H new ATOM 0 HA SER A 108 10.047 -0.760 -6.404 1.00264.92 H new ATOM 0 HB2 SER A 108 12.307 -0.631 -5.610 1.00359.35 H new ATOM 0 HB3 SER A 108 12.869 -1.844 -6.743 1.00359.35 H new ATOM 0 HG SER A 108 13.385 0.318 -7.446 1.00573.24 H new ATOM 1687 N PHE A 109 10.349 -0.542 -9.010 1.00316.64 N ATOM 1688 CA PHE A 109 10.086 -0.574 -10.443 1.00353.61 C ATOM 1689 C PHE A 109 11.410 -0.696 -11.194 1.00431.44 C ATOM 1690 O PHE A 109 11.516 -0.311 -12.360 1.00523.07 O ATOM 1691 CB PHE A 109 9.337 0.697 -10.874 1.00411.57 C ATOM 1692 CG PHE A 109 10.277 1.884 -10.879 1.00646.95 C ATOM 1693 CD1 PHE A 109 10.598 2.534 -9.682 1.00929.23 C ATOM 1694 CD2 PHE A 109 10.831 2.330 -12.088 1.00999.99 C ATOM 1695 CE1 PHE A 109 11.472 3.629 -9.693 1.00999.99 C ATOM 1696 CE2 PHE A 109 11.704 3.422 -12.097 1.00999.99 C ATOM 1697 CZ PHE A 109 12.024 4.072 -10.901 1.00999.99 C ATOM 0 H PHE A 109 10.457 0.393 -8.617 1.00316.64 H new ATOM 0 HA PHE A 109 9.459 -1.434 -10.679 1.00353.61 H new ATOM 0 HB2 PHE A 109 8.911 0.557 -11.868 1.00411.57 H new ATOM 0 HB3 PHE A 109 8.506 0.886 -10.195 1.00411.57 H new ATOM 0 HD1 PHE A 109 10.172 2.192 -8.750 1.00929.23 H new ATOM 0 HD2 PHE A 109 10.583 1.830 -13.012 1.00999.99 H new ATOM 0 HE1 PHE A 109 11.720 4.131 -8.770 1.00999.99 H new ATOM 0 HE2 PHE A 109 12.131 3.764 -13.028 1.00999.99 H new ATOM 0 HZ PHE A 109 12.697 4.916 -10.909 1.00999.99 H new ATOM 1707 N SER A 110 12.414 -1.255 -10.515 1.00480.75 N ATOM 1708 CA SER A 110 13.731 -1.446 -11.107 1.00580.77 C ATOM 1709 C SER A 110 14.061 -2.934 -11.178 1.00531.40 C ATOM 1710 O SER A 110 14.079 -3.624 -10.160 1.00513.47 O ATOM 1711 CB SER A 110 14.790 -0.722 -10.273 1.00674.57 C ATOM 1712 OG SER A 110 14.599 0.682 -10.384 1.00956.64 O ATOM 0 H SER A 110 12.335 -1.583 -9.552 1.00480.75 H new ATOM 0 HA SER A 110 13.726 -1.033 -12.116 1.00580.77 H new ATOM 0 HB2 SER A 110 14.719 -1.028 -9.229 1.00674.57 H new ATOM 0 HB3 SER A 110 15.788 -0.993 -10.618 1.00674.57 H new ATOM 0 HG SER A 110 15.275 1.147 -9.849 1.00956.64 H new ATOM 1718 N ALA A 111 14.317 -3.408 -12.392 1.00581.09 N ATOM 1719 CA ALA A 111 14.646 -4.815 -12.624 1.00562.85 C ATOM 1720 C ALA A 111 15.848 -5.245 -11.775 1.00604.69 C ATOM 1721 O ALA A 111 16.594 -4.400 -11.278 1.00699.56 O ATOM 1722 CB ALA A 111 14.950 -5.018 -14.111 1.00694.85 C ATOM 0 H ALA A 111 14.304 -2.837 -13.237 1.00581.09 H new ATOM 0 HA ALA A 111 13.795 -5.431 -12.333 1.00562.85 H new ATOM 0 HB1 ALA A 111 15.196 -6.064 -14.293 1.00694.85 H new ATOM 0 HB2 ALA A 111 14.076 -4.743 -14.702 1.00694.85 H new ATOM 0 HB3 ALA A 111 15.794 -4.391 -14.399 1.00694.85 H new ATOM 1728 N PRO A 112 16.043 -6.533 -11.591 1.00595.19 N ATOM 1729 CA PRO A 112 17.176 -7.068 -10.770 1.00699.81 C ATOM 1730 C PRO A 112 18.526 -6.497 -11.209 1.00901.13 C ATOM 1731 O PRO A 112 19.317 -6.050 -10.378 1.00999.99 O ATOM 1732 CB PRO A 112 17.113 -8.581 -11.000 1.00691.48 C ATOM 1733 CG PRO A 112 15.705 -8.863 -11.411 1.00569.20 C ATOM 1734 CD PRO A 112 15.208 -7.617 -12.141 1.00549.69 C ATOM 0 HA PRO A 112 17.086 -6.793 -9.719 1.00699.81 H new ATOM 0 HB2 PRO A 112 17.817 -8.890 -11.773 1.00691.48 H new ATOM 0 HB3 PRO A 112 17.374 -9.127 -10.094 1.00691.48 H new ATOM 0 HG2 PRO A 112 15.658 -9.737 -12.060 1.00569.20 H new ATOM 0 HG3 PRO A 112 15.083 -9.077 -10.542 1.00569.20 H new ATOM 0 HD2 PRO A 112 15.331 -7.709 -13.220 1.00549.69 H new ATOM 0 HD3 PRO A 112 14.149 -7.440 -11.955 1.00549.69 H new ATOM 1742 N ASP A 113 18.765 -6.480 -12.519 1.00972.97 N ATOM 1743 CA ASP A 113 20.005 -5.916 -13.068 1.00999.99 C ATOM 1744 C ASP A 113 19.935 -4.387 -12.996 1.00999.99 C ATOM 1745 O ASP A 113 20.924 -3.700 -12.740 1.00999.99 O ATOM 1746 CB ASP A 113 20.197 -6.376 -14.526 1.00999.99 C ATOM 1747 CG ASP A 113 18.932 -6.125 -15.363 1.00999.99 C ATOM 1748 OD1 ASP A 113 17.911 -5.774 -14.793 1.00999.99 O ATOM 1749 OD2 ASP A 113 19.007 -6.292 -16.568 1.00999.99 O ATOM 0 H ASP A 113 18.122 -6.848 -13.220 1.00972.97 H new ATOM 0 HA ASP A 113 20.856 -6.267 -12.484 1.00999.99 H new ATOM 0 HB2 ASP A 113 21.040 -5.845 -14.969 1.00999.99 H new ATOM 0 HB3 ASP A 113 20.443 -7.438 -14.545 1.00999.99 H new ATOM 1754 N ASP A 114 18.726 -3.900 -13.226 1.00999.99 N ATOM 1755 CA ASP A 114 18.443 -2.462 -13.194 1.00999.99 C ATOM 1756 C ASP A 114 19.346 -1.718 -14.188 1.00999.99 C ATOM 1757 O ASP A 114 19.333 -0.494 -14.190 1.00999.99 O ATOM 1758 CB ASP A 114 18.685 -1.933 -11.770 1.00999.99 C ATOM 1759 CG ASP A 114 18.180 -0.496 -11.622 1.00999.99 C ATOM 1760 OD1 ASP A 114 17.300 -0.111 -12.374 1.00999.99 O ATOM 1761 OD2 ASP A 114 18.686 0.198 -10.755 1.00999.99 O ATOM 0 H ASP A 114 17.914 -4.480 -13.439 1.00999.99 H new ATOM 0 HA ASP A 114 17.404 -2.293 -13.478 1.00999.99 H new ATOM 0 HB2 ASP A 114 18.179 -2.575 -11.049 1.00999.99 H new ATOM 0 HB3 ASP A 114 19.750 -1.973 -11.540 1.00999.99 H new