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= 0.0314 USER MOD Set 1.2: A 108 SER OG : rot -167:sc= -0.531 USER MOD Single : A 18 THR OG1 : rot -130:sc= -1.27 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 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 112:sc= -1.82! 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= -0.119 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -53:sc= -1.42! USER MOD Single : A 66 SER OG : rot 42:sc= 0.266 USER MOD Single : A 68 CYS SG : rot -84:sc= -0.0741 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=-0.021) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.017 USER MOD Single : A 77 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.209) 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 -175:sc= -2.17 (180deg=-2.36) 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 0.867 -19.616 6.352 1.00999.99 N ATOM 293 CA THR A 18 1.341 -18.432 5.658 1.00999.99 C ATOM 294 C THR A 18 2.538 -17.830 6.382 1.00999.99 C ATOM 295 O THR A 18 2.744 -18.072 7.573 1.00999.99 O ATOM 296 CB THR A 18 0.214 -17.401 5.556 1.00999.99 C ATOM 297 OG1 THR A 18 0.158 -16.642 6.755 1.00999.99 O ATOM 298 CG2 THR A 18 -1.122 -18.118 5.345 1.00999.99 C ATOM 0 HA THR A 18 1.654 -18.719 4.654 1.00999.99 H new ATOM 0 HB THR A 18 0.406 -16.738 4.712 1.00999.99 H new ATOM 0 HG1 THR A 18 -0.764 -16.622 7.087 1.00999.99 H new ATOM 0 HG21 THR A 18 -1.923 -17.382 5.273 1.00999.99 H new ATOM 0 HG22 THR A 18 -1.081 -18.701 4.425 1.00999.99 H new ATOM 0 HG23 THR A 18 -1.315 -18.783 6.187 1.00999.99 H new ATOM 306 N ARG A 19 3.323 -17.045 5.652 1.00994.92 N ATOM 307 CA ARG A 19 4.502 -16.413 6.225 1.00974.01 C ATOM 308 C ARG A 19 4.204 -14.948 6.499 1.00904.65 C ATOM 309 O ARG A 19 3.581 -14.269 5.692 1.00895.56 O ATOM 310 CB ARG A 19 5.688 -16.524 5.262 1.00999.99 C ATOM 311 CG ARG A 19 5.981 -18.001 4.972 1.00999.99 C ATOM 312 CD ARG A 19 7.168 -18.115 4.012 1.00999.99 C ATOM 313 NE ARG A 19 8.426 -18.020 4.747 1.00999.99 N ATOM 314 CZ ARG A 19 9.598 -18.013 4.116 1.00999.99 C ATOM 315 NH1 ARG A 19 9.641 -18.041 2.812 1.00999.99 N ATOM 316 NH2 ARG A 19 10.707 -17.973 4.803 1.00999.99 N ATOM 0 H ARG A 19 3.164 -16.833 4.667 1.00994.92 H new ATOM 0 HA ARG A 19 4.758 -16.918 7.156 1.00974.01 H new ATOM 0 HB2 ARG A 19 5.466 -15.998 4.333 1.00999.99 H new ATOM 0 HB3 ARG A 19 6.567 -16.047 5.696 1.00999.99 H new ATOM 0 HG2 ARG A 19 6.201 -18.527 5.901 1.00999.99 H new ATOM 0 HG3 ARG A 19 5.102 -18.477 4.537 1.00999.99 H new ATOM 0 HD2 ARG A 19 7.122 -19.064 3.478 1.00999.99 H new ATOM 0 HD3 ARG A 19 7.116 -17.325 3.263 1.00999.99 H new ATOM 0 HE ARG A 19 8.406 -17.958 5.765 1.00999.99 H new ATOM 0 HH11 ARG A 19 8.775 -18.068 2.274 1.00999.99 H new ATOM 0 HH12 ARG A 19 10.541 -18.036 2.331 1.00999.99 H new ATOM 0 HH21 ARG A 19 10.675 -17.947 5.822 1.00999.99 H new ATOM 0 HH22 ARG A 19 11.606 -17.968 4.321 1.00999.99 H new ATOM 330 N LYS A 20 4.651 -14.470 7.646 1.00900.08 N ATOM 331 CA LYS A 20 4.414 -13.083 8.012 1.00857.56 C ATOM 332 C LYS A 20 5.602 -12.206 7.641 1.00815.13 C ATOM 333 O LYS A 20 6.695 -12.346 8.191 1.00869.52 O ATOM 334 CB LYS A 20 4.120 -12.972 9.505 1.00966.61 C ATOM 335 CG LYS A 20 2.728 -13.539 9.797 1.00999.99 C ATOM 336 CD LYS A 20 2.429 -13.423 11.294 1.00999.99 C ATOM 337 CE LYS A 20 1.017 -13.943 11.575 1.00999.99 C ATOM 338 NZ LYS A 20 0.724 -13.830 13.031 1.00999.99 N ATOM 0 H LYS A 20 5.174 -15.013 8.333 1.00900.08 H new ATOM 0 HA LYS A 20 3.547 -12.730 7.454 1.00857.56 H new ATOM 0 HB2 LYS A 20 4.873 -13.516 10.076 1.00966.61 H new ATOM 0 HB3 LYS A 20 4.173 -11.930 9.820 1.00966.61 H new ATOM 0 HG2 LYS A 20 1.976 -12.998 9.223 1.00999.99 H new ATOM 0 HG3 LYS A 20 2.677 -14.582 9.486 1.00999.99 H new ATOM 0 HD2 LYS A 20 3.159 -13.995 11.867 1.00999.99 H new ATOM 0 HD3 LYS A 20 2.516 -12.384 11.614 1.00999.99 H new ATOM 0 HE2 LYS A 20 0.287 -13.372 11.001 1.00999.99 H new ATOM 0 HE3 LYS A 20 0.931 -14.982 11.256 1.00999.99 H new ATOM 0 HZ1 LYS A 20 -0.236 -14.184 13.220 1.00999.99 H new ATOM 0 HZ2 LYS A 20 1.413 -14.394 13.569 1.00999.99 H new ATOM 0 HZ3 LYS A 20 0.790 -12.834 13.322 1.00999.99 H new ATOM 352 N ILE A 21 5.364 -11.296 6.703 1.00749.93 N ATOM 353 CA ILE A 21 6.393 -10.375 6.237 1.00733.33 C ATOM 354 C ILE A 21 6.213 -9.009 6.893 1.00731.44 C ATOM 355 O ILE A 21 5.082 -8.585 7.171 1.00731.93 O ATOM 356 CB ILE A 21 6.334 -10.243 4.705 1.00716.93 C ATOM 357 CG1 ILE A 21 6.778 -8.838 4.286 1.00623.88 C ATOM 358 CG2 ILE A 21 4.905 -10.485 4.220 1.00885.67 C ATOM 359 CD1 ILE A 21 7.391 -8.875 2.888 1.00662.10 C ATOM 0 H ILE A 21 4.459 -11.177 6.247 1.00749.93 H new ATOM 0 HA ILE A 21 7.370 -10.770 6.516 1.00733.33 H new ATOM 0 HB ILE A 21 7.000 -10.982 4.261 1.00716.93 H new ATOM 0 HG12 ILE A 21 5.925 -8.160 4.299 1.00623.88 H new ATOM 0 HG13 ILE A 21 7.505 -8.450 5.000 1.00623.88 H new ATOM 0 HG21 ILE A 21 4.868 -10.390 3.135 1.00885.67 H new ATOM 0 HG22 ILE A 21 4.588 -11.487 4.508 1.00885.67 H new ATOM 0 HG23 ILE A 21 4.238 -9.750 4.671 1.00885.67 H new ATOM 0 HD11 ILE A 21 7.703 -7.871 2.601 1.00662.10 H new ATOM 0 HD12 ILE A 21 8.256 -9.538 2.888 1.00662.10 H new ATOM 0 HD13 ILE A 21 6.652 -9.243 2.176 1.00662.10 H new ATOM 371 N LYS A 22 7.338 -8.328 7.130 1.00767.29 N ATOM 372 CA LYS A 22 7.318 -7.006 7.745 1.00802.62 C ATOM 373 C LYS A 22 8.252 -6.047 7.002 1.00756.18 C ATOM 374 O LYS A 22 8.545 -4.954 7.490 1.00945.87 O ATOM 375 CB LYS A 22 7.754 -7.109 9.209 1.00999.99 C ATOM 376 CG LYS A 22 6.677 -6.497 10.104 1.00999.99 C ATOM 377 CD LYS A 22 7.036 -6.730 11.574 1.00999.99 C ATOM 378 CE LYS A 22 5.960 -6.110 12.466 1.00999.99 C ATOM 379 NZ LYS A 22 6.309 -6.336 13.897 1.00999.99 N ATOM 0 H LYS A 22 8.271 -8.673 6.904 1.00767.29 H new ATOM 0 HA LYS A 22 6.301 -6.617 7.690 1.00802.62 H new ATOM 0 HB2 LYS A 22 7.917 -8.152 9.479 1.00999.99 H new ATOM 0 HB3 LYS A 22 8.702 -6.590 9.355 1.00999.99 H new ATOM 0 HG2 LYS A 22 6.589 -5.429 9.906 1.00999.99 H new ATOM 0 HG3 LYS A 22 5.708 -6.943 9.881 1.00999.99 H new ATOM 0 HD2 LYS A 22 7.118 -7.798 11.774 1.00999.99 H new ATOM 0 HD3 LYS A 22 8.007 -6.288 11.797 1.00999.99 H new ATOM 0 HE2 LYS A 22 5.877 -5.042 12.265 1.00999.99 H new ATOM 0 HE3 LYS A 22 4.989 -6.552 12.243 1.00999.99 H new ATOM 0 HZ1 LYS A 22 5.577 -5.914 14.504 1.00999.99 H new ATOM 0 HZ2 LYS A 22 6.367 -7.358 14.083 1.00999.99 H new ATOM 0 HZ3 LYS A 22 7.227 -5.894 14.104 1.00999.99 H new ATOM 393 N ILE A 23 8.721 -6.463 5.825 1.00650.64 N ATOM 394 CA ILE A 23 9.626 -5.633 5.034 1.00662.41 C ATOM 395 C ILE A 23 8.852 -4.838 3.987 1.00600.65 C ATOM 396 O ILE A 23 8.317 -5.402 3.032 1.00701.55 O ATOM 397 CB ILE A 23 10.665 -6.515 4.332 1.00871.72 C ATOM 398 CG1 ILE A 23 11.427 -7.343 5.374 1.00999.99 C ATOM 399 CG2 ILE A 23 11.652 -5.631 3.564 1.00999.99 C ATOM 400 CD1 ILE A 23 10.789 -8.729 5.498 1.00999.99 C ATOM 0 H ILE A 23 8.491 -7.362 5.402 1.00650.64 H new ATOM 0 HA ILE A 23 10.128 -4.938 5.707 1.00662.41 H new ATOM 0 HB ILE A 23 10.158 -7.185 3.637 1.00871.72 H new ATOM 0 HG12 ILE A 23 12.473 -7.438 5.083 1.00999.99 H new ATOM 0 HG13 ILE A 23 11.410 -6.836 6.339 1.00999.99 H new ATOM 0 HG21 ILE A 23 12.390 -6.259 3.065 1.00999.99 H new ATOM 0 HG22 ILE A 23 11.113 -5.044 2.820 1.00999.99 H new ATOM 0 HG23 ILE A 23 12.156 -4.960 4.259 1.00999.99 H new ATOM 0 HD11 ILE A 23 11.333 -9.315 6.239 1.00999.99 H new ATOM 0 HD12 ILE A 23 9.750 -8.625 5.809 1.00999.99 H new ATOM 0 HD13 ILE A 23 10.830 -9.236 4.534 1.00999.99 H new ATOM 412 N THR A 24 8.805 -3.523 4.179 1.00619.81 N ATOM 413 CA THR A 24 8.102 -2.641 3.253 1.00700.63 C ATOM 414 C THR A 24 9.060 -1.601 2.683 1.00594.61 C ATOM 415 O THR A 24 9.796 -0.949 3.425 1.00664.15 O ATOM 416 CB THR A 24 6.944 -1.942 3.973 1.00999.99 C ATOM 417 OG1 THR A 24 7.284 -1.747 5.339 1.00999.99 O ATOM 418 CG2 THR A 24 5.683 -2.802 3.873 1.00999.99 C ATOM 0 H THR A 24 9.244 -3.045 4.966 1.00619.81 H new ATOM 0 HA THR A 24 7.705 -3.240 2.434 1.00700.63 H new ATOM 0 HB THR A 24 6.757 -0.975 3.506 1.00999.99 H new ATOM 0 HG1 THR A 24 6.544 -1.298 5.799 1.00999.99 H new ATOM 0 HG21 THR A 24 4.861 -2.303 4.386 1.00999.99 H new ATOM 0 HG22 THR A 24 5.423 -2.946 2.824 1.00999.99 H new ATOM 0 HG23 THR A 24 5.866 -3.771 4.338 1.00999.99 H new ATOM 426 N PHE A 25 9.048 -1.454 1.360 1.00559.65 N ATOM 427 CA PHE A 25 9.929 -0.495 0.706 1.00513.49 C ATOM 428 C PHE A 25 9.375 0.922 0.850 1.00590.53 C ATOM 429 O PHE A 25 8.322 1.252 0.303 1.00619.97 O ATOM 430 CB PHE A 25 10.074 -0.847 -0.779 1.00444.79 C ATOM 431 CG PHE A 25 11.434 -0.406 -1.272 1.00509.91 C ATOM 432 CD1 PHE A 25 12.575 -1.136 -0.919 1.00580.27 C ATOM 433 CD2 PHE A 25 11.553 0.730 -2.078 1.00760.14 C ATOM 434 CE1 PHE A 25 13.835 -0.729 -1.374 1.00883.72 C ATOM 435 CE2 PHE A 25 12.813 1.139 -2.533 1.00999.99 C ATOM 436 CZ PHE A 25 13.954 0.409 -2.181 1.00999.99 C ATOM 0 H PHE A 25 8.445 -1.981 0.728 1.00559.65 H new ATOM 0 HA PHE A 25 10.908 -0.539 1.184 1.00513.49 H new ATOM 0 HB2 PHE A 25 9.954 -1.921 -0.922 1.00444.79 H new ATOM 0 HB3 PHE A 25 9.290 -0.359 -1.358 1.00444.79 H new ATOM 0 HD1 PHE A 25 12.483 -2.013 -0.296 1.00580.27 H new ATOM 0 HD2 PHE A 25 10.672 1.293 -2.350 1.00760.14 H new ATOM 0 HE1 PHE A 25 14.715 -1.293 -1.102 1.00883.72 H new ATOM 0 HE2 PHE A 25 12.904 2.017 -3.155 1.00999.99 H new ATOM 0 HZ PHE A 25 14.926 0.723 -2.532 1.00999.99 H new ATOM 446 N ALA A 26 10.100 1.745 1.602 1.00700.26 N ATOM 447 CA ALA A 26 9.683 3.126 1.828 1.00843.29 C ATOM 448 C ALA A 26 10.344 4.062 0.821 1.00788.29 C ATOM 449 O ALA A 26 11.541 4.340 0.902 1.00836.59 O ATOM 450 CB ALA A 26 10.042 3.556 3.253 1.00999.99 C ATOM 0 H ALA A 26 10.972 1.483 2.062 1.00700.26 H new ATOM 0 HA ALA A 26 8.602 3.184 1.697 1.00843.29 H new ATOM 0 HB1 ALA A 26 9.727 4.587 3.412 1.00999.99 H new ATOM 0 HB2 ALA A 26 9.535 2.907 3.967 1.00999.99 H new ATOM 0 HB3 ALA A 26 11.120 3.480 3.395 1.00999.99 H new ATOM 456 N LEU A 27 9.543 4.553 -0.120 1.00811.92 N ATOM 457 CA LEU A 27 10.044 5.473 -1.138 1.00865.32 C ATOM 458 C LEU A 27 10.418 6.804 -0.504 1.00863.93 C ATOM 459 O LEU A 27 11.430 7.412 -0.853 1.00999.99 O ATOM 460 CB LEU A 27 8.993 5.692 -2.231 1.00999.99 C ATOM 461 CG LEU A 27 8.475 4.339 -2.731 1.00999.99 C ATOM 462 CD1 LEU A 27 7.795 4.521 -4.088 1.00999.99 C ATOM 463 CD2 LEU A 27 9.641 3.357 -2.873 1.00999.99 C ATOM 0 H LEU A 27 8.551 4.332 -0.200 1.00811.92 H new ATOM 0 HA LEU A 27 10.932 5.033 -1.592 1.00865.32 H new ATOM 0 HB2 LEU A 27 8.167 6.286 -1.840 1.00999.99 H new ATOM 0 HB3 LEU A 27 9.427 6.254 -3.058 1.00999.99 H new ATOM 0 HG LEU A 27 7.756 3.943 -2.013 1.00999.99 H new ATOM 0 HD11 LEU A 27 7.427 3.558 -4.443 1.00999.99 H new ATOM 0 HD12 LEU A 27 6.960 5.214 -3.986 1.00999.99 H new ATOM 0 HD13 LEU A 27 8.513 4.921 -4.804 1.00999.99 H new ATOM 0 HD21 LEU A 27 9.267 2.397 -3.229 1.00999.99 H new ATOM 0 HD22 LEU A 27 10.364 3.752 -3.587 1.00999.99 H new ATOM 0 HD23 LEU A 27 10.123 3.222 -1.905 1.00999.99 H new ATOM 475 N ASP A 28 9.588 7.240 0.436 1.00818.61 N ATOM 476 CA ASP A 28 9.816 8.495 1.138 1.00932.56 C ATOM 477 C ASP A 28 9.158 8.448 2.510 1.00978.37 C ATOM 478 O ASP A 28 8.396 7.527 2.808 1.00999.99 O ATOM 479 CB ASP A 28 9.242 9.663 0.327 1.00928.48 C ATOM 480 CG ASP A 28 10.235 10.099 -0.749 1.00999.99 C ATOM 481 OD1 ASP A 28 11.399 10.272 -0.423 1.00999.99 O ATOM 482 OD2 ASP A 28 9.817 10.253 -1.884 1.00999.99 O ATOM 0 H ASP A 28 8.749 6.740 0.730 1.00818.61 H new ATOM 0 HA ASP A 28 10.889 8.641 1.260 1.00932.56 H new ATOM 0 HB2 ASP A 28 8.301 9.366 -0.136 1.00928.48 H new ATOM 0 HB3 ASP A 28 9.021 10.501 0.989 1.00928.48 H new ATOM 487 N ALA A 29 9.453 9.444 3.340 1.00999.99 N ATOM 488 CA ALA A 29 8.879 9.500 4.680 1.00999.99 C ATOM 489 C ALA A 29 7.359 9.367 4.606 1.00999.99 C ATOM 490 O ALA A 29 6.717 8.842 5.535 1.00999.99 O ATOM 491 CB ALA A 29 9.247 10.829 5.347 1.00999.99 C ATOM 0 H ALA A 29 10.080 10.216 3.112 1.00999.99 H new ATOM 0 HA ALA A 29 9.280 8.676 5.270 1.00999.99 H new ATOM 0 HB1 ALA A 29 8.816 10.866 6.347 1.00999.99 H new ATOM 0 HB2 ALA A 29 10.332 10.913 5.416 1.00999.99 H new ATOM 0 HB3 ALA A 29 8.856 11.655 4.753 1.00999.99 H new ATOM 497 N THR A 30 6.788 9.839 3.491 1.00972.42 N ATOM 498 CA THR A 30 5.346 9.771 3.308 1.00887.22 C ATOM 499 C THR A 30 4.870 8.329 3.380 1.00763.10 C ATOM 500 O THR A 30 4.135 7.970 4.310 1.00761.09 O ATOM 501 CB THR A 30 4.964 10.372 1.951 1.00904.30 C ATOM 502 OG1 THR A 30 5.603 11.632 1.796 1.00999.99 O ATOM 503 CG2 THR A 30 3.446 10.552 1.876 1.00999.99 C ATOM 0 H THR A 30 7.299 10.264 2.717 1.00972.42 H new ATOM 0 HA THR A 30 4.867 10.341 4.104 1.00887.22 H new ATOM 0 HB THR A 30 5.285 9.701 1.154 1.00904.30 H new ATOM 0 HG1 THR A 30 5.361 12.017 0.928 1.00999.99 H new ATOM 0 HG21 THR A 30 3.178 10.980 0.910 1.00999.99 H new ATOM 0 HG22 THR A 30 2.959 9.584 1.992 1.00999.99 H new ATOM 0 HG23 THR A 30 3.119 11.221 2.672 1.00999.99 H new ATOM 511 N PHE A 31 5.283 7.475 2.435 1.00710.73 N ATOM 512 CA PHE A 31 4.872 6.076 2.452 1.00643.83 C ATOM 513 C PHE A 31 5.649 5.320 3.516 1.00616.39 C ATOM 514 O PHE A 31 5.639 4.098 3.554 1.00571.40 O ATOM 515 CB PHE A 31 5.189 5.461 1.081 1.00661.94 C ATOM 516 CG PHE A 31 4.311 6.077 0.015 1.00738.55 C ATOM 517 CD1 PHE A 31 4.642 7.322 -0.540 1.00999.99 C ATOM 518 CD2 PHE A 31 3.173 5.396 -0.426 1.00815.73 C ATOM 519 CE1 PHE A 31 3.830 7.882 -1.534 1.00999.99 C ATOM 520 CE2 PHE A 31 2.364 5.955 -1.418 1.00999.99 C ATOM 521 CZ PHE A 31 2.691 7.198 -1.971 1.00999.99 C ATOM 0 H PHE A 31 5.895 7.730 1.659 1.00710.73 H new ATOM 0 HA PHE A 31 3.806 6.011 2.669 1.00643.83 H new ATOM 0 HB2 PHE A 31 6.239 5.623 0.836 1.00661.94 H new ATOM 0 HB3 PHE A 31 5.032 4.383 1.113 1.00661.94 H new ATOM 0 HD1 PHE A 31 5.522 7.848 -0.201 1.00999.99 H new ATOM 0 HD2 PHE A 31 2.919 4.437 0.001 1.00815.73 H new ATOM 0 HE1 PHE A 31 4.083 8.841 -1.962 1.00999.99 H new ATOM 0 HE2 PHE A 31 1.485 5.427 -1.758 1.00999.99 H new ATOM 0 HZ PHE A 31 2.063 7.630 -2.736 1.00999.99 H new ATOM 531 N ASP A 32 6.255 6.072 4.418 1.00700.41 N ATOM 532 CA ASP A 32 6.988 5.468 5.515 1.00735.68 C ATOM 533 C ASP A 32 6.034 5.236 6.664 1.00772.55 C ATOM 534 O ASP A 32 5.731 4.091 7.019 1.00765.18 O ATOM 535 CB ASP A 32 8.144 6.369 5.958 1.00866.84 C ATOM 536 CG ASP A 32 9.229 5.542 6.650 1.00999.99 C ATOM 537 OD1 ASP A 32 8.907 4.489 7.181 1.00999.99 O ATOM 538 OD2 ASP A 32 10.370 5.973 6.637 1.00999.99 O ATOM 0 H ASP A 32 6.254 7.092 4.413 1.00700.41 H new ATOM 0 HA ASP A 32 7.413 4.519 5.188 1.00735.68 H new ATOM 0 HB2 ASP A 32 8.565 6.883 5.094 1.00866.84 H new ATOM 0 HB3 ASP A 32 7.775 7.138 6.637 1.00866.84 H new ATOM 543 N SER A 33 5.534 6.331 7.220 1.00852.93 N ATOM 544 CA SER A 33 4.582 6.232 8.314 1.00943.57 C ATOM 545 C SER A 33 3.232 5.766 7.780 1.00853.46 C ATOM 546 O SER A 33 2.497 5.054 8.464 1.00906.08 O ATOM 547 CB SER A 33 4.427 7.584 9.008 1.00999.99 C ATOM 548 OG SER A 33 3.864 8.519 8.097 1.00999.99 O ATOM 0 H SER A 33 5.768 7.283 6.937 1.00852.93 H new ATOM 0 HA SER A 33 4.953 5.508 9.039 1.00943.57 H new ATOM 0 HB2 SER A 33 3.788 7.484 9.885 1.00999.99 H new ATOM 0 HB3 SER A 33 5.396 7.939 9.358 1.00999.99 H new ATOM 0 HG SER A 33 3.762 9.387 8.540 1.00999.99 H new ATOM 554 N VAL A 34 2.912 6.180 6.550 1.00767.50 N ATOM 555 CA VAL A 34 1.644 5.802 5.937 1.00736.51 C ATOM 556 C VAL A 34 1.623 4.322 5.565 1.00674.12 C ATOM 557 O VAL A 34 0.671 3.614 5.898 1.00718.24 O ATOM 558 CB VAL A 34 1.391 6.649 4.689 1.00724.23 C ATOM 559 CG1 VAL A 34 0.059 6.241 4.043 1.00825.48 C ATOM 560 CG2 VAL A 34 1.335 8.129 5.078 1.00793.87 C ATOM 0 H VAL A 34 3.508 6.769 5.969 1.00767.50 H new ATOM 0 HA VAL A 34 0.855 5.981 6.668 1.00736.51 H new ATOM 0 HB VAL A 34 2.201 6.488 3.977 1.00724.23 H new ATOM 0 HG11 VAL A 34 -0.115 6.848 3.155 1.00825.48 H new ATOM 0 HG12 VAL A 34 0.098 5.189 3.762 1.00825.48 H new ATOM 0 HG13 VAL A 34 -0.753 6.396 4.754 1.00825.48 H new ATOM 0 HG21 VAL A 34 1.155 8.732 4.188 1.00793.87 H new ATOM 0 HG22 VAL A 34 0.528 8.287 5.793 1.00793.87 H new ATOM 0 HG23 VAL A 34 2.283 8.423 5.530 1.00793.87 H new ATOM 570 N LEU A 35 2.662 3.850 4.863 1.00610.93 N ATOM 571 CA LEU A 35 2.692 2.451 4.463 1.00588.93 C ATOM 572 C LEU A 35 2.754 1.547 5.687 1.00670.32 C ATOM 573 O LEU A 35 2.084 0.517 5.739 1.00715.35 O ATOM 574 CB LEU A 35 3.889 2.189 3.552 1.00555.25 C ATOM 575 CG LEU A 35 3.811 0.776 2.968 1.00548.22 C ATOM 576 CD1 LEU A 35 2.414 0.532 2.390 1.00682.02 C ATOM 577 CD2 LEU A 35 4.848 0.642 1.848 1.00690.15 C ATOM 0 H LEU A 35 3.467 4.403 4.571 1.00610.93 H new ATOM 0 HA LEU A 35 1.777 2.228 3.914 1.00588.93 H new ATOM 0 HB2 LEU A 35 3.909 2.923 2.746 1.00555.25 H new ATOM 0 HB3 LEU A 35 4.815 2.307 4.114 1.00555.25 H new ATOM 0 HG LEU A 35 4.010 0.046 3.753 1.00548.22 H new ATOM 0 HD11 LEU A 35 2.363 -0.475 1.975 1.00682.02 H new ATOM 0 HD12 LEU A 35 1.670 0.638 3.180 1.00682.02 H new ATOM 0 HD13 LEU A 35 2.214 1.259 1.603 1.00682.02 H new ATOM 0 HD21 LEU A 35 4.800 -0.362 1.426 1.00690.15 H new ATOM 0 HD22 LEU A 35 4.638 1.374 1.068 1.00690.15 H new ATOM 0 HD23 LEU A 35 5.845 0.818 2.252 1.00690.15 H new ATOM 589 N SER A 36 3.566 1.936 6.669 1.00740.43 N ATOM 590 CA SER A 36 3.702 1.142 7.887 1.00887.13 C ATOM 591 C SER A 36 2.371 1.059 8.637 1.00992.19 C ATOM 592 O SER A 36 1.966 -0.015 9.077 1.00999.99 O ATOM 593 CB SER A 36 4.768 1.759 8.791 1.00999.99 C ATOM 594 OG SER A 36 4.666 1.197 10.093 1.00999.99 O ATOM 0 H SER A 36 4.132 2.784 6.646 1.00740.43 H new ATOM 0 HA SER A 36 4.002 0.132 7.607 1.00887.13 H new ATOM 0 HB2 SER A 36 5.760 1.574 8.380 1.00999.99 H new ATOM 0 HB3 SER A 36 4.639 2.840 8.838 1.00999.99 H new ATOM 0 HG SER A 36 5.350 1.591 10.674 1.00999.99 H new ATOM 600 N LYS A 37 1.695 2.199 8.777 1.00995.13 N ATOM 601 CA LYS A 37 0.410 2.239 9.479 1.00999.99 C ATOM 602 C LYS A 37 -0.660 1.426 8.755 1.00999.99 C ATOM 603 O LYS A 37 -1.472 0.752 9.390 1.00999.99 O ATOM 604 CB LYS A 37 -0.072 3.686 9.625 1.00999.99 C ATOM 605 CG LYS A 37 0.093 4.143 11.077 1.00999.99 C ATOM 606 CD LYS A 37 -0.256 5.629 11.187 1.00999.99 C ATOM 607 CE LYS A 37 -0.284 6.042 12.661 1.00999.99 C ATOM 608 NZ LYS A 37 -0.980 7.353 12.794 1.00999.99 N ATOM 0 H LYS A 37 2.011 3.100 8.418 1.00995.13 H new ATOM 0 HA LYS A 37 0.569 1.798 10.463 1.00999.99 H new ATOM 0 HB2 LYS A 37 0.497 4.337 8.962 1.00999.99 H new ATOM 0 HB3 LYS A 37 -1.117 3.763 9.326 1.00999.99 H new ATOM 0 HG2 LYS A 37 -0.554 3.557 11.730 1.00999.99 H new ATOM 0 HG3 LYS A 37 1.117 3.974 11.409 1.00999.99 H new ATOM 0 HD2 LYS A 37 0.477 6.226 10.645 1.00999.99 H new ATOM 0 HD3 LYS A 37 -1.225 5.820 10.727 1.00999.99 H new ATOM 0 HE2 LYS A 37 -0.797 5.284 13.253 1.00999.99 H new ATOM 0 HE3 LYS A 37 0.732 6.116 13.049 1.00999.99 H new ATOM 0 HZ1 LYS A 37 -1.000 7.635 13.795 1.00999.99 H new ATOM 0 HZ2 LYS A 37 -0.473 8.073 12.241 1.00999.99 H new ATOM 0 HZ3 LYS A 37 -1.954 7.267 12.439 1.00999.99 H new ATOM 622 N ALA A 38 -0.665 1.504 7.430 1.00923.62 N ATOM 623 CA ALA A 38 -1.654 0.784 6.632 1.00927.96 C ATOM 624 C ALA A 38 -1.226 -0.664 6.424 1.00937.19 C ATOM 625 O ALA A 38 -2.059 -1.551 6.236 1.00999.99 O ATOM 626 CB ALA A 38 -1.824 1.473 5.275 1.00814.44 C ATOM 0 H ALA A 38 -0.000 2.055 6.886 1.00923.62 H new ATOM 0 HA ALA A 38 -2.604 0.792 7.166 1.00927.96 H new ATOM 0 HB1 ALA A 38 -2.563 0.933 4.683 1.00814.44 H new ATOM 0 HB2 ALA A 38 -2.161 2.499 5.427 1.00814.44 H new ATOM 0 HB3 ALA A 38 -0.870 1.479 4.748 1.00814.44 H new ATOM 632 N CYS A 39 0.083 -0.884 6.453 1.00767.52 N ATOM 633 CA CYS A 39 0.620 -2.225 6.258 1.00808.44 C ATOM 634 C CYS A 39 1.906 -2.447 7.052 1.00897.76 C ATOM 635 O CYS A 39 3.010 -2.293 6.528 1.00999.99 O ATOM 636 CB CYS A 39 0.873 -2.473 4.768 1.00668.86 C ATOM 637 SG CYS A 39 1.988 -3.884 4.571 1.00714.01 S ATOM 0 H CYS A 39 0.785 -0.160 6.608 1.00767.52 H new ATOM 0 HA CYS A 39 -0.120 -2.935 6.628 1.00808.44 H new ATOM 0 HB2 CYS A 39 -0.069 -2.667 4.256 1.00668.86 H new ATOM 0 HB3 CYS A 39 1.309 -1.585 4.310 1.00668.86 H new ATOM 0 HG CYS A 39 1.340 -4.879 4.041 1.00714.01 H new ATOM 643 N SER A 40 1.749 -2.831 8.316 1.00870.68 N ATOM 644 CA SER A 40 2.899 -3.105 9.182 1.00986.32 C ATOM 645 C SER A 40 3.190 -4.611 9.211 1.00981.35 C ATOM 646 O SER A 40 4.265 -5.045 9.621 1.00999.99 O ATOM 647 CB SER A 40 2.613 -2.612 10.602 1.00999.99 C ATOM 648 OG SER A 40 1.749 -3.532 11.259 1.00999.99 O ATOM 0 H SER A 40 0.842 -2.960 8.765 1.00870.68 H new ATOM 0 HA SER A 40 3.768 -2.580 8.786 1.00986.32 H new ATOM 0 HB2 SER A 40 3.545 -2.512 11.158 1.00999.99 H new ATOM 0 HB3 SER A 40 2.153 -1.624 10.570 1.00999.99 H new ATOM 0 HG SER A 40 1.567 -3.217 12.169 1.00999.99 H new ATOM 654 N GLU A 41 2.203 -5.384 8.766 1.00959.86 N ATOM 655 CA GLU A 41 2.323 -6.843 8.730 1.00964.52 C ATOM 656 C GLU A 41 1.468 -7.460 7.633 1.00883.22 C ATOM 657 O GLU A 41 0.366 -6.989 7.349 1.00945.21 O ATOM 658 CB GLU A 41 1.924 -7.450 10.081 1.00999.99 C ATOM 659 CG GLU A 41 3.083 -7.319 11.072 1.00999.99 C ATOM 660 CD GLU A 41 2.735 -8.014 12.387 1.00999.99 C ATOM 661 OE1 GLU A 41 1.697 -7.700 12.947 1.00999.99 O ATOM 662 OE2 GLU A 41 3.507 -8.860 12.809 1.00999.99 O ATOM 0 H GLU A 41 1.311 -5.027 8.425 1.00959.86 H new ATOM 0 HA GLU A 41 3.368 -7.069 8.517 1.00964.52 H new ATOM 0 HB2 GLU A 41 1.041 -6.943 10.471 1.00999.99 H new ATOM 0 HB3 GLU A 41 1.659 -8.500 9.954 1.00999.99 H new ATOM 0 HG2 GLU A 41 3.985 -7.759 10.647 1.00999.99 H new ATOM 0 HG3 GLU A 41 3.297 -6.266 11.255 1.00999.99 H new ATOM 669 N PHE A 42 1.985 -8.531 7.028 1.00789.04 N ATOM 670 CA PHE A 42 1.256 -9.228 5.972 1.00755.91 C ATOM 671 C PHE A 42 1.467 -10.737 6.047 1.00756.01 C ATOM 672 O PHE A 42 2.566 -11.205 6.335 1.00740.85 O ATOM 673 CB PHE A 42 1.693 -8.713 4.597 1.00674.44 C ATOM 674 CG PHE A 42 0.607 -7.837 4.018 1.00867.93 C ATOM 675 CD1 PHE A 42 -0.688 -8.348 3.864 1.00958.67 C ATOM 676 CD2 PHE A 42 0.891 -6.524 3.632 1.00999.99 C ATOM 677 CE1 PHE A 42 -1.698 -7.545 3.326 1.00999.99 C ATOM 678 CE2 PHE A 42 -0.120 -5.720 3.091 1.00999.99 C ATOM 679 CZ PHE A 42 -1.414 -6.231 2.939 1.00999.99 C ATOM 0 H PHE A 42 2.897 -8.930 7.250 1.00789.04 H new ATOM 0 HA PHE A 42 0.195 -9.026 6.116 1.00755.91 H new ATOM 0 HB2 PHE A 42 2.621 -8.148 4.687 1.00674.44 H new ATOM 0 HB3 PHE A 42 1.893 -9.551 3.930 1.00674.44 H new ATOM 0 HD1 PHE A 42 -0.906 -9.363 4.161 1.00958.67 H new ATOM 0 HD2 PHE A 42 1.889 -6.130 3.751 1.00999.99 H new ATOM 0 HE1 PHE A 42 -2.697 -7.939 3.209 1.00999.99 H new ATOM 0 HE2 PHE A 42 0.099 -4.706 2.791 1.00999.99 H new ATOM 0 HZ PHE A 42 -2.194 -5.611 2.523 1.00999.99 H new ATOM 689 N GLU A 43 0.398 -11.488 5.771 1.00807.99 N ATOM 690 CA GLU A 43 0.464 -12.947 5.798 1.00830.13 C ATOM 691 C GLU A 43 0.459 -13.510 4.376 1.00801.99 C ATOM 692 O GLU A 43 -0.498 -13.332 3.621 1.00874.50 O ATOM 693 CB GLU A 43 -0.713 -13.515 6.599 1.00981.07 C ATOM 694 CG GLU A 43 -2.026 -13.285 5.844 1.00999.99 C ATOM 695 CD GLU A 43 -3.216 -13.618 6.738 1.00999.99 C ATOM 696 OE1 GLU A 43 -3.119 -14.569 7.498 1.00999.99 O ATOM 697 OE2 GLU A 43 -4.210 -12.916 6.650 1.00999.99 O ATOM 0 H GLU A 43 -0.518 -11.110 5.528 1.00807.99 H new ATOM 0 HA GLU A 43 1.394 -13.243 6.283 1.00830.13 H new ATOM 0 HB2 GLU A 43 -0.565 -14.581 6.770 1.00981.07 H new ATOM 0 HB3 GLU A 43 -0.760 -13.039 7.578 1.00981.07 H new ATOM 0 HG2 GLU A 43 -2.088 -12.247 5.516 1.00999.99 H new ATOM 0 HG3 GLU A 43 -2.051 -13.905 4.948 1.00999.99 H new ATOM 704 N VAL A 44 1.565 -14.147 4.012 1.00770.30 N ATOM 705 CA VAL A 44 1.700 -14.685 2.657 1.00801.16 C ATOM 706 C VAL A 44 1.910 -16.209 2.643 1.00832.54 C ATOM 707 O VAL A 44 2.957 -16.723 3.030 1.00840.71 O ATOM 708 CB VAL A 44 2.858 -13.985 1.919 1.00837.76 C ATOM 709 CG1 VAL A 44 2.319 -13.270 0.675 1.00999.99 C ATOM 710 CG2 VAL A 44 3.526 -12.954 2.836 1.00899.59 C ATOM 0 H VAL A 44 2.369 -14.304 4.620 1.00770.30 H new ATOM 0 HA VAL A 44 0.761 -14.486 2.141 1.00801.16 H new ATOM 0 HB VAL A 44 3.591 -14.737 1.627 1.00837.76 H new ATOM 0 HG11 VAL A 44 3.140 -12.776 0.155 1.00999.99 H new ATOM 0 HG12 VAL A 44 1.854 -13.998 0.010 1.00999.99 H new ATOM 0 HG13 VAL A 44 1.579 -12.527 0.974 1.00999.99 H new ATOM 0 HG21 VAL A 44 4.342 -12.467 2.302 1.00899.59 H new ATOM 0 HG22 VAL A 44 2.793 -12.206 3.138 1.00899.59 H new ATOM 0 HG23 VAL A 44 3.919 -13.455 3.721 1.00899.59 H new ATOM 720 N ASP A 45 0.880 -16.897 2.130 1.00904.35 N ATOM 721 CA ASP A 45 0.907 -18.368 1.987 1.00963.77 C ATOM 722 C ASP A 45 2.104 -18.725 1.126 1.00889.48 C ATOM 723 O ASP A 45 2.719 -17.811 0.571 1.00825.46 O ATOM 724 CB ASP A 45 -0.368 -18.879 1.327 1.00999.99 C ATOM 725 CG ASP A 45 -1.579 -18.475 2.157 1.00999.99 C ATOM 726 OD1 ASP A 45 -1.848 -17.287 2.238 1.00999.99 O ATOM 727 OD2 ASP A 45 -2.220 -19.358 2.702 1.00999.99 O ATOM 0 H ASP A 45 0.016 -16.463 1.806 1.00904.35 H new ATOM 0 HA ASP A 45 0.979 -18.830 2.971 1.00963.77 H new ATOM 0 HB2 ASP A 45 -0.455 -18.472 0.320 1.00999.99 H new ATOM 0 HB3 ASP A 45 -0.328 -19.964 1.230 1.00999.99 H new ATOM 732 N LYS A 46 2.496 -19.999 0.971 1.00970.08 N ATOM 733 CA LYS A 46 3.653 -20.308 0.145 1.00983.32 C ATOM 734 C LYS A 46 3.226 -20.490 -1.307 1.00999.99 C ATOM 735 O LYS A 46 3.828 -21.267 -2.048 1.00999.99 O ATOM 736 CB LYS A 46 4.243 -21.635 0.648 1.00999.99 C ATOM 737 CG LYS A 46 4.746 -21.481 2.088 1.00999.99 C ATOM 738 CD LYS A 46 5.080 -22.863 2.665 1.00999.99 C ATOM 739 CE LYS A 46 6.356 -23.404 2.016 1.00999.99 C ATOM 740 NZ LYS A 46 6.001 -24.486 1.053 1.00999.99 N ATOM 0 H LYS A 46 2.038 -20.805 1.397 1.00970.08 H new ATOM 0 HA LYS A 46 4.380 -19.498 0.205 1.00983.32 H new ATOM 0 HB2 LYS A 46 3.486 -22.418 0.602 1.00999.99 H new ATOM 0 HB3 LYS A 46 5.063 -21.945 0.000 1.00999.99 H new ATOM 0 HG2 LYS A 46 5.630 -20.843 2.109 1.00999.99 H new ATOM 0 HG3 LYS A 46 3.986 -20.994 2.699 1.00999.99 H new ATOM 0 HD2 LYS A 46 5.212 -22.794 3.745 1.00999.99 H new ATOM 0 HD3 LYS A 46 4.252 -23.550 2.489 1.00999.99 H new ATOM 0 HE2 LYS A 46 6.883 -22.601 1.500 1.00999.99 H new ATOM 0 HE3 LYS A 46 7.031 -23.789 2.780 1.00999.99 H new ATOM 0 HZ1 LYS A 46 6.867 -24.855 0.611 1.00999.99 H new ATOM 0 HZ2 LYS A 46 5.515 -25.255 1.558 1.00999.99 H new ATOM 0 HZ3 LYS A 46 5.373 -24.104 0.318 1.00999.99 H new ATOM 754 N ASP A 47 2.190 -19.765 -1.707 1.00999.99 N ATOM 755 CA ASP A 47 1.694 -19.839 -3.075 1.00999.99 C ATOM 756 C ASP A 47 1.459 -18.434 -3.616 1.00994.19 C ATOM 757 O ASP A 47 1.107 -18.256 -4.783 1.00999.99 O ATOM 758 CB ASP A 47 0.387 -20.637 -3.127 1.00999.99 C ATOM 759 CG ASP A 47 0.676 -22.102 -3.445 1.00999.99 C ATOM 760 OD1 ASP A 47 1.265 -22.358 -4.484 1.00999.99 O ATOM 761 OD2 ASP A 47 0.303 -22.947 -2.648 1.00999.99 O ATOM 0 H ASP A 47 1.678 -19.120 -1.105 1.00999.99 H new ATOM 0 HA ASP A 47 2.439 -20.344 -3.690 1.00999.99 H new ATOM 0 HB2 ASP A 47 -0.133 -20.560 -2.172 1.00999.99 H new ATOM 0 HB3 ASP A 47 -0.274 -20.217 -3.884 1.00999.99 H new ATOM 766 N VAL A 48 1.659 -17.438 -2.754 1.00883.65 N ATOM 767 CA VAL A 48 1.469 -16.053 -3.143 1.00739.91 C ATOM 768 C VAL A 48 2.680 -15.560 -3.918 1.00565.75 C ATOM 769 O VAL A 48 3.814 -15.662 -3.447 1.00572.42 O ATOM 770 CB VAL A 48 1.267 -15.188 -1.895 1.00763.48 C ATOM 771 CG1 VAL A 48 0.844 -13.776 -2.308 1.00999.99 C ATOM 772 CG2 VAL A 48 0.179 -15.809 -1.011 1.00824.71 C ATOM 0 H VAL A 48 1.952 -17.570 -1.786 1.00883.65 H new ATOM 0 HA VAL A 48 0.586 -15.980 -3.778 1.00739.91 H new ATOM 0 HB VAL A 48 2.203 -15.136 -1.338 1.00763.48 H new ATOM 0 HG11 VAL A 48 0.701 -13.164 -1.417 1.00999.99 H new ATOM 0 HG12 VAL A 48 1.619 -13.332 -2.933 1.00999.99 H new ATOM 0 HG13 VAL A 48 -0.090 -13.825 -2.868 1.00999.99 H new ATOM 0 HG21 VAL A 48 0.036 -15.193 -0.123 1.00824.71 H new ATOM 0 HG22 VAL A 48 -0.756 -15.864 -1.569 1.00824.71 H new ATOM 0 HG23 VAL A 48 0.482 -16.812 -0.711 1.00824.71 H new ATOM 782 N THR A 49 2.430 -15.028 -5.106 1.00478.14 N ATOM 783 CA THR A 49 3.504 -14.522 -5.946 1.00373.90 C ATOM 784 C THR A 49 3.544 -13.004 -5.888 1.00305.60 C ATOM 785 O THR A 49 2.508 -12.361 -5.754 1.00388.23 O ATOM 786 CB THR A 49 3.297 -14.974 -7.397 1.00379.63 C ATOM 787 OG1 THR A 49 2.230 -14.234 -7.975 1.00422.68 O ATOM 788 CG2 THR A 49 2.963 -16.468 -7.429 1.00533.50 C ATOM 0 H THR A 49 1.497 -14.936 -5.508 1.00478.14 H new ATOM 0 HA THR A 49 4.450 -14.920 -5.577 1.00373.90 H new ATOM 0 HB THR A 49 4.211 -14.798 -7.965 1.00379.63 H new ATOM 0 HG1 THR A 49 2.098 -14.521 -8.903 1.00422.68 H new ATOM 0 HG21 THR A 49 2.816 -16.786 -8.461 1.00533.50 H new ATOM 0 HG22 THR A 49 3.784 -17.034 -6.988 1.00533.50 H new ATOM 0 HG23 THR A 49 2.051 -16.649 -6.861 1.00533.50 H new ATOM 796 N LEU A 50 4.753 -12.452 -5.964 1.00245.55 N ATOM 797 CA LEU A 50 4.945 -11.002 -5.909 1.00201.23 C ATOM 798 C LEU A 50 3.736 -10.269 -6.495 1.00193.63 C ATOM 799 O LEU A 50 3.348 -9.208 -6.006 1.00177.81 O ATOM 800 CB LEU A 50 6.204 -10.607 -6.688 1.00195.75 C ATOM 801 CG LEU A 50 6.240 -11.349 -8.030 1.00219.99 C ATOM 802 CD1 LEU A 50 6.736 -10.405 -9.127 1.00304.88 C ATOM 803 CD2 LEU A 50 7.185 -12.550 -7.923 1.00282.81 C ATOM 0 H LEU A 50 5.616 -12.986 -6.064 1.00245.55 H new ATOM 0 HA LEU A 50 5.057 -10.716 -4.863 1.00201.23 H new ATOM 0 HB2 LEU A 50 6.215 -9.530 -6.857 1.00195.75 H new ATOM 0 HB3 LEU A 50 7.093 -10.847 -6.105 1.00195.75 H new ATOM 0 HG LEU A 50 5.237 -11.695 -8.279 1.00219.99 H new ATOM 0 HD11 LEU A 50 6.761 -10.935 -10.079 1.00304.88 H new ATOM 0 HD12 LEU A 50 6.063 -9.551 -9.204 1.00304.88 H new ATOM 0 HD13 LEU A 50 7.739 -10.055 -8.880 1.00304.88 H new ATOM 0 HD21 LEU A 50 7.211 -13.078 -8.876 1.00282.81 H new ATOM 0 HD22 LEU A 50 8.187 -12.203 -7.672 1.00282.81 H new ATOM 0 HD23 LEU A 50 6.829 -13.225 -7.144 1.00282.81 H new ATOM 815 N ASP A 51 3.139 -10.851 -7.537 1.00229.19 N ATOM 816 CA ASP A 51 1.971 -10.252 -8.178 1.00262.86 C ATOM 817 C ASP A 51 0.821 -10.113 -7.179 1.00300.14 C ATOM 818 O ASP A 51 0.229 -9.041 -7.049 1.00305.27 O ATOM 819 CB ASP A 51 1.524 -11.131 -9.350 1.00334.58 C ATOM 820 CG ASP A 51 2.540 -11.062 -10.492 1.00511.79 C ATOM 821 OD1 ASP A 51 3.366 -10.162 -10.481 1.00698.47 O ATOM 822 OD2 ASP A 51 2.479 -11.917 -11.360 1.00634.05 O ATOM 0 H ASP A 51 3.444 -11.731 -7.952 1.00229.19 H new ATOM 0 HA ASP A 51 2.242 -9.260 -8.541 1.00262.86 H new ATOM 0 HB2 ASP A 51 1.413 -12.163 -9.016 1.00334.58 H new ATOM 0 HB3 ASP A 51 0.547 -10.804 -9.705 1.00334.58 H new ATOM 827 N GLU A 52 0.522 -11.198 -6.468 1.00352.08 N ATOM 828 CA GLU A 52 -0.546 -11.182 -5.475 1.00432.40 C ATOM 829 C GLU A 52 -0.180 -10.271 -4.311 1.00378.71 C ATOM 830 O GLU A 52 -1.031 -9.556 -3.780 1.00418.76 O ATOM 831 CB GLU A 52 -0.806 -12.596 -4.950 1.00541.81 C ATOM 832 CG GLU A 52 -2.047 -13.184 -5.629 1.00922.05 C ATOM 833 CD GLU A 52 -2.366 -14.567 -5.056 1.00999.99 C ATOM 834 OE1 GLU A 52 -1.612 -15.038 -4.218 1.00999.99 O ATOM 835 OE2 GLU A 52 -3.366 -15.135 -5.461 1.00999.99 O ATOM 0 H GLU A 52 1.002 -12.093 -6.561 1.00352.08 H new ATOM 0 HA GLU A 52 -1.449 -10.804 -5.955 1.00432.40 H new ATOM 0 HB2 GLU A 52 0.060 -13.230 -5.143 1.00541.81 H new ATOM 0 HB3 GLU A 52 -0.949 -12.572 -3.870 1.00541.81 H new ATOM 0 HG2 GLU A 52 -2.898 -12.519 -5.484 1.00922.05 H new ATOM 0 HG3 GLU A 52 -1.880 -13.259 -6.704 1.00922.05 H new ATOM 842 N LEU A 53 1.092 -10.301 -3.916 1.00310.08 N ATOM 843 CA LEU A 53 1.551 -9.470 -2.810 1.00282.54 C ATOM 844 C LEU A 53 1.344 -8.000 -3.152 1.00227.80 C ATOM 845 O LEU A 53 0.826 -7.233 -2.346 1.00247.15 O ATOM 846 CB LEU A 53 3.038 -9.730 -2.547 1.00251.32 C ATOM 847 CG LEU A 53 3.509 -8.893 -1.350 1.00319.05 C ATOM 848 CD1 LEU A 53 3.010 -9.530 -0.050 1.00468.61 C ATOM 849 CD2 LEU A 53 5.041 -8.830 -1.339 1.00499.30 C ATOM 0 H LEU A 53 1.813 -10.884 -4.340 1.00310.08 H new ATOM 0 HA LEU A 53 0.979 -9.718 -1.916 1.00282.54 H new ATOM 0 HB2 LEU A 53 3.202 -10.789 -2.349 1.00251.32 H new ATOM 0 HB3 LEU A 53 3.623 -9.477 -3.432 1.00251.32 H new ATOM 0 HG LEU A 53 3.107 -7.883 -1.434 1.00319.05 H new ATOM 0 HD11 LEU A 53 3.345 -8.934 0.799 1.00468.61 H new ATOM 0 HD12 LEU A 53 1.921 -9.569 -0.059 1.00468.61 H new ATOM 0 HD13 LEU A 53 3.408 -10.541 0.036 1.00468.61 H new ATOM 0 HD21 LEU A 53 5.375 -8.235 -0.489 1.00499.30 H new ATOM 0 HD22 LEU A 53 5.446 -9.839 -1.258 1.00499.30 H new ATOM 0 HD23 LEU A 53 5.393 -8.371 -2.263 1.00499.30 H new ATOM 861 N LEU A 54 1.733 -7.625 -4.367 1.00185.85 N ATOM 862 CA LEU A 54 1.569 -6.251 -4.825 1.00170.67 C ATOM 863 C LEU A 54 0.095 -5.885 -4.888 1.00234.24 C ATOM 864 O LEU A 54 -0.296 -4.777 -4.520 1.00246.82 O ATOM 865 CB LEU A 54 2.207 -6.078 -6.206 1.00170.70 C ATOM 866 CG LEU A 54 3.704 -5.796 -6.047 1.00226.50 C ATOM 867 CD1 LEU A 54 4.487 -6.508 -7.152 1.00404.06 C ATOM 868 CD2 LEU A 54 3.946 -4.287 -6.148 1.00373.06 C ATOM 0 H LEU A 54 2.162 -8.251 -5.049 1.00185.85 H new ATOM 0 HA LEU A 54 2.065 -5.588 -4.116 1.00170.67 H new ATOM 0 HB2 LEU A 54 2.057 -6.978 -6.803 1.00170.70 H new ATOM 0 HB3 LEU A 54 1.727 -5.258 -6.740 1.00170.70 H new ATOM 0 HG LEU A 54 4.039 -6.161 -5.076 1.00226.50 H new ATOM 0 HD11 LEU A 54 5.551 -6.304 -7.034 1.00404.06 H new ATOM 0 HD12 LEU A 54 4.314 -7.582 -7.086 1.00404.06 H new ATOM 0 HD13 LEU A 54 4.154 -6.146 -8.125 1.00404.06 H new ATOM 0 HD21 LEU A 54 5.010 -4.081 -6.035 1.00373.06 H new ATOM 0 HD22 LEU A 54 3.608 -3.929 -7.120 1.00373.06 H new ATOM 0 HD23 LEU A 54 3.392 -3.776 -5.360 1.00373.06 H new ATOM 880 N ASP A 55 -0.719 -6.822 -5.365 1.00299.02 N ATOM 881 CA ASP A 55 -2.149 -6.584 -5.475 1.00404.70 C ATOM 882 C ASP A 55 -2.763 -6.296 -4.110 1.00450.19 C ATOM 883 O ASP A 55 -3.473 -5.302 -3.947 1.00507.43 O ATOM 884 CB ASP A 55 -2.838 -7.801 -6.100 1.00510.19 C ATOM 885 CG ASP A 55 -4.072 -7.367 -6.891 1.00611.07 C ATOM 886 OD1 ASP A 55 -4.694 -6.391 -6.505 1.00657.80 O ATOM 887 OD2 ASP A 55 -4.376 -8.019 -7.877 1.00805.60 O ATOM 0 H ASP A 55 -0.414 -7.744 -5.678 1.00299.02 H new ATOM 0 HA ASP A 55 -2.297 -5.713 -6.113 1.00404.70 H new ATOM 0 HB2 ASP A 55 -2.142 -8.323 -6.757 1.00510.19 H new ATOM 0 HB3 ASP A 55 -3.128 -8.504 -5.319 1.00510.19 H new ATOM 892 N VAL A 56 -2.504 -7.165 -3.131 1.00453.57 N ATOM 893 CA VAL A 56 -3.052 -6.991 -1.794 1.00536.71 C ATOM 894 C VAL A 56 -2.442 -5.777 -1.115 1.00466.25 C ATOM 895 O VAL A 56 -3.115 -5.069 -0.370 1.00541.51 O ATOM 896 CB VAL A 56 -2.778 -8.248 -0.960 1.00594.23 C ATOM 897 CG1 VAL A 56 -3.270 -8.036 0.474 1.00700.77 C ATOM 898 CG2 VAL A 56 -3.510 -9.447 -1.578 1.00843.98 C ATOM 0 H VAL A 56 -1.919 -7.993 -3.243 1.00453.57 H new ATOM 0 HA VAL A 56 -4.127 -6.833 -1.875 1.00536.71 H new ATOM 0 HB VAL A 56 -1.706 -8.442 -0.949 1.00594.23 H new ATOM 0 HG11 VAL A 56 -3.073 -8.932 1.062 1.00700.77 H new ATOM 0 HG12 VAL A 56 -2.746 -7.189 0.917 1.00700.77 H new ATOM 0 HG13 VAL A 56 -4.341 -7.836 0.465 1.00700.77 H new ATOM 0 HG21 VAL A 56 -3.314 -10.339 -0.983 1.00843.98 H new ATOM 0 HG22 VAL A 56 -4.582 -9.250 -1.594 1.00843.98 H new ATOM 0 HG23 VAL A 56 -3.155 -9.604 -2.596 1.00843.98 H new ATOM 908 N VAL A 57 -1.163 -5.542 -1.380 1.00347.83 N ATOM 909 CA VAL A 57 -0.472 -4.406 -0.793 1.00302.42 C ATOM 910 C VAL A 57 -1.076 -3.098 -1.284 1.00295.64 C ATOM 911 O VAL A 57 -1.363 -2.197 -0.494 1.00329.68 O ATOM 912 CB VAL A 57 1.013 -4.465 -1.168 1.00218.55 C ATOM 913 CG1 VAL A 57 1.638 -3.072 -1.054 1.00292.71 C ATOM 914 CG2 VAL A 57 1.728 -5.426 -0.216 1.00353.46 C ATOM 0 H VAL A 57 -0.588 -6.120 -1.994 1.00347.83 H new ATOM 0 HA VAL A 57 -0.580 -4.450 0.291 1.00302.42 H new ATOM 0 HB VAL A 57 1.115 -4.815 -2.195 1.00218.55 H new ATOM 0 HG11 VAL A 57 2.693 -3.124 -1.322 1.00292.71 H new ATOM 0 HG12 VAL A 57 1.125 -2.387 -1.729 1.00292.71 H new ATOM 0 HG13 VAL A 57 1.541 -2.713 -0.030 1.00292.71 H new ATOM 0 HG21 VAL A 57 2.786 -5.475 -0.475 1.00353.46 H new ATOM 0 HG22 VAL A 57 1.621 -5.070 0.809 1.00353.46 H new ATOM 0 HG23 VAL A 57 1.287 -6.419 -0.303 1.00353.46 H new ATOM 924 N LEU A 58 -1.263 -3.001 -2.596 1.00276.16 N ATOM 925 CA LEU A 58 -1.827 -1.799 -3.186 1.00305.50 C ATOM 926 C LEU A 58 -3.267 -1.610 -2.718 1.00424.01 C ATOM 927 O LEU A 58 -3.679 -0.501 -2.377 1.00451.35 O ATOM 928 CB LEU A 58 -1.785 -1.900 -4.713 1.00317.18 C ATOM 929 CG LEU A 58 -2.169 -0.549 -5.324 1.00379.54 C ATOM 930 CD1 LEU A 58 -1.096 0.488 -4.971 1.00320.90 C ATOM 931 CD2 LEU A 58 -2.270 -0.685 -6.846 1.00501.13 C ATOM 0 H LEU A 58 -1.033 -3.736 -3.265 1.00276.16 H new ATOM 0 HA LEU A 58 -1.237 -0.939 -2.868 1.00305.50 H new ATOM 0 HB2 LEU A 58 -0.787 -2.190 -5.042 1.00317.18 H new ATOM 0 HB3 LEU A 58 -2.471 -2.675 -5.056 1.00317.18 H new ATOM 0 HG LEU A 58 -3.132 -0.228 -4.927 1.00379.54 H new ATOM 0 HD11 LEU A 58 -1.365 1.452 -5.404 1.00320.90 H new ATOM 0 HD12 LEU A 58 -1.025 0.584 -3.888 1.00320.90 H new ATOM 0 HD13 LEU A 58 -0.134 0.167 -5.370 1.00320.90 H new ATOM 0 HD21 LEU A 58 -2.543 0.277 -7.280 1.00501.13 H new ATOM 0 HD22 LEU A 58 -1.308 -1.004 -7.247 1.00501.13 H new ATOM 0 HD23 LEU A 58 -3.031 -1.425 -7.096 1.00501.13 H new ATOM 943 N ASP A 59 -4.024 -2.705 -2.707 1.00520.48 N ATOM 944 CA ASP A 59 -5.418 -2.658 -2.282 1.00687.68 C ATOM 945 C ASP A 59 -5.522 -2.278 -0.808 1.00713.01 C ATOM 946 O ASP A 59 -6.381 -1.488 -0.428 1.00813.78 O ATOM 947 CB ASP A 59 -6.081 -4.021 -2.502 1.00815.93 C ATOM 948 CG ASP A 59 -6.584 -4.138 -3.940 1.00999.99 C ATOM 949 OD1 ASP A 59 -7.300 -3.249 -4.373 1.00999.99 O ATOM 950 OD2 ASP A 59 -6.249 -5.116 -4.586 1.00999.99 O ATOM 0 H ASP A 59 -3.697 -3.630 -2.986 1.00520.48 H new ATOM 0 HA ASP A 59 -5.929 -1.902 -2.878 1.00687.68 H new ATOM 0 HB2 ASP A 59 -5.368 -4.818 -2.293 1.00815.93 H new ATOM 0 HB3 ASP A 59 -6.912 -4.146 -1.807 1.00815.93 H new ATOM 955 N ALA A 60 -4.645 -2.850 0.013 1.00647.87 N ATOM 956 CA ALA A 60 -4.653 -2.566 1.444 1.00701.80 C ATOM 957 C ALA A 60 -4.392 -1.090 1.704 1.00642.23 C ATOM 958 O ALA A 60 -5.144 -0.440 2.425 1.00763.22 O ATOM 959 CB ALA A 60 -3.583 -3.402 2.151 1.00659.36 C ATOM 0 H ALA A 60 -3.925 -3.508 -0.286 1.00647.87 H new ATOM 0 HA ALA A 60 -5.637 -2.824 1.835 1.00701.80 H new ATOM 0 HB1 ALA A 60 -3.597 -3.183 3.219 1.00659.36 H new ATOM 0 HB2 ALA A 60 -3.787 -4.461 1.995 1.00659.36 H new ATOM 0 HB3 ALA A 60 -2.602 -3.158 1.743 1.00659.36 H new ATOM 965 N VAL A 61 -3.327 -0.569 1.102 1.00487.96 N ATOM 966 CA VAL A 61 -2.964 0.836 1.268 1.00449.52 C ATOM 967 C VAL A 61 -4.072 1.741 0.741 1.00542.59 C ATOM 968 O VAL A 61 -4.393 2.763 1.348 1.00599.86 O ATOM 969 CB VAL A 61 -1.657 1.132 0.525 1.00333.24 C ATOM 970 CG1 VAL A 61 -1.375 2.638 0.555 1.00374.45 C ATOM 971 CG2 VAL A 61 -0.505 0.386 1.206 1.00390.10 C ATOM 0 H VAL A 61 -2.700 -1.098 0.495 1.00487.96 H new ATOM 0 HA VAL A 61 -2.826 1.033 2.331 1.00449.52 H new ATOM 0 HB VAL A 61 -1.747 0.802 -0.510 1.00333.24 H new ATOM 0 HG11 VAL A 61 -0.445 2.845 0.026 1.00374.45 H new ATOM 0 HG12 VAL A 61 -2.194 3.171 0.072 1.00374.45 H new ATOM 0 HG13 VAL A 61 -1.286 2.971 1.589 1.00374.45 H new ATOM 0 HG21 VAL A 61 0.426 0.595 0.679 1.00390.10 H new ATOM 0 HG22 VAL A 61 -0.418 0.717 2.241 1.00390.10 H new ATOM 0 HG23 VAL A 61 -0.702 -0.686 1.183 1.00390.10 H new ATOM 981 N GLU A 62 -4.646 1.356 -0.391 1.00589.33 N ATOM 982 CA GLU A 62 -5.717 2.137 -0.995 1.00732.80 C ATOM 983 C GLU A 62 -6.959 2.116 -0.103 1.00908.55 C ATOM 984 O GLU A 62 -7.674 3.113 0.003 1.00999.99 O ATOM 985 CB GLU A 62 -6.054 1.574 -2.377 1.00796.55 C ATOM 986 CG GLU A 62 -7.027 2.515 -3.096 1.00831.29 C ATOM 987 CD GLU A 62 -7.285 2.030 -4.523 1.00827.04 C ATOM 988 OE1 GLU A 62 -6.947 0.894 -4.821 1.00914.77 O ATOM 989 OE2 GLU A 62 -7.813 2.806 -5.301 1.00948.60 O ATOM 0 H GLU A 62 -4.390 0.514 -0.906 1.00589.33 H new ATOM 0 HA GLU A 62 -5.383 3.169 -1.101 1.00732.80 H new ATOM 0 HB2 GLU A 62 -5.143 1.459 -2.965 1.00796.55 H new ATOM 0 HB3 GLU A 62 -6.497 0.583 -2.278 1.00796.55 H new ATOM 0 HG2 GLU A 62 -7.967 2.564 -2.547 1.00831.29 H new ATOM 0 HG3 GLU A 62 -6.617 3.525 -3.117 1.00831.29 H new ATOM 996 N SER A 63 -7.211 0.970 0.529 1.00962.43 N ATOM 997 CA SER A 63 -8.369 0.823 1.408 1.00999.99 C ATOM 998 C SER A 63 -8.204 1.649 2.683 1.00999.99 C ATOM 999 O SER A 63 -9.152 2.285 3.144 1.00999.99 O ATOM 1000 CB SER A 63 -8.567 -0.656 1.768 1.00999.99 C ATOM 1001 OG SER A 63 -8.385 -0.840 3.168 1.00999.99 O ATOM 0 H SER A 63 -6.632 0.134 0.449 1.00962.43 H new ATOM 0 HA SER A 63 -9.247 1.190 0.876 1.00999.99 H new ATOM 0 HB2 SER A 63 -9.566 -0.980 1.476 1.00999.99 H new ATOM 0 HB3 SER A 63 -7.858 -1.272 1.216 1.00999.99 H new ATOM 0 HG SER A 63 -8.514 -1.785 3.393 1.00999.99 H new ATOM 1007 N THR A 64 -6.997 1.633 3.248 1.00999.99 N ATOM 1008 CA THR A 64 -6.729 2.386 4.472 1.00999.99 C ATOM 1009 C THR A 64 -6.631 3.877 4.181 1.00999.99 C ATOM 1010 O THR A 64 -7.250 4.693 4.866 1.00999.99 O ATOM 1011 CB THR A 64 -5.425 1.908 5.130 1.00972.43 C ATOM 1012 OG1 THR A 64 -4.786 0.955 4.297 1.00887.71 O ATOM 1013 CG2 THR A 64 -5.729 1.282 6.492 1.00999.99 C ATOM 0 H THR A 64 -6.199 1.114 2.883 1.00999.99 H new ATOM 0 HA THR A 64 -7.560 2.211 5.156 1.00999.99 H new ATOM 0 HB THR A 64 -4.763 2.763 5.269 1.00972.43 H new ATOM 0 HG1 THR A 64 -5.418 0.240 4.073 1.00887.71 H new ATOM 0 HG21 THR A 64 -4.800 0.945 6.953 1.00999.99 H new ATOM 0 HG22 THR A 64 -6.206 2.022 7.135 1.00999.99 H new ATOM 0 HG23 THR A 64 -6.398 0.432 6.360 1.00999.99 H new ATOM 1021 N LEU A 65 -5.849 4.225 3.164 1.00882.66 N ATOM 1022 CA LEU A 65 -5.673 5.624 2.794 1.00863.36 C ATOM 1023 C LEU A 65 -6.434 5.935 1.508 1.00852.65 C ATOM 1024 O LEU A 65 -5.837 6.131 0.449 1.00797.60 O ATOM 1025 CB LEU A 65 -4.182 5.928 2.607 1.00775.43 C ATOM 1026 CG LEU A 65 -3.897 7.373 3.028 1.00999.99 C ATOM 1027 CD1 LEU A 65 -3.803 7.450 4.555 1.00999.99 C ATOM 1028 CD2 LEU A 65 -2.574 7.836 2.411 1.00999.99 C ATOM 0 H LEU A 65 -5.331 3.563 2.586 1.00882.66 H new ATOM 0 HA LEU A 65 -6.070 6.251 3.593 1.00863.36 H new ATOM 0 HB2 LEU A 65 -3.582 5.240 3.203 1.00775.43 H new ATOM 0 HB3 LEU A 65 -3.898 5.779 1.565 1.00775.43 H new ATOM 0 HG LEU A 65 -4.704 8.018 2.680 1.00999.99 H new ATOM 0 HD11 LEU A 65 -3.600 8.478 4.856 1.00999.99 H new ATOM 0 HD12 LEU A 65 -4.745 7.123 4.995 1.00999.99 H new ATOM 0 HD13 LEU A 65 -2.997 6.804 4.903 1.00999.99 H new ATOM 0 HD21 LEU A 65 -2.373 8.864 2.711 1.00999.99 H new ATOM 0 HD22 LEU A 65 -1.766 7.192 2.757 1.00999.99 H new ATOM 0 HD23 LEU A 65 -2.641 7.782 1.324 1.00999.99 H new ATOM 1040 N SER A 66 -7.757 5.983 1.613 1.00976.72 N ATOM 1041 CA SER A 66 -8.600 6.280 0.460 1.00999.99 C ATOM 1042 C SER A 66 -8.601 7.780 0.164 1.00999.99 C ATOM 1043 O SER A 66 -8.402 8.194 -0.980 1.00999.99 O ATOM 1044 CB SER A 66 -10.031 5.804 0.721 1.00999.99 C ATOM 1045 OG SER A 66 -10.319 4.698 -0.124 1.00999.99 O ATOM 0 H SER A 66 -8.268 5.821 2.481 1.00976.72 H new ATOM 0 HA SER A 66 -8.197 5.754 -0.405 1.00999.99 H new ATOM 0 HB2 SER A 66 -10.146 5.518 1.766 1.00999.99 H new ATOM 0 HB3 SER A 66 -10.736 6.614 0.533 1.00999.99 H new ATOM 0 HG SER A 66 -9.544 4.100 -0.155 1.00999.99 H new ATOM 1051 N PRO A 67 -8.827 8.594 1.168 1.00999.99 N ATOM 1052 CA PRO A 67 -8.862 10.079 1.015 1.00999.99 C ATOM 1053 C PRO A 67 -7.463 10.686 0.890 1.00859.07 C ATOM 1054 O PRO A 67 -7.035 11.471 1.739 1.00837.52 O ATOM 1055 CB PRO A 67 -9.559 10.551 2.293 1.00999.99 C ATOM 1056 CG PRO A 67 -9.270 9.502 3.316 1.00999.99 C ATOM 1057 CD PRO A 67 -9.076 8.185 2.562 1.00999.99 C ATOM 0 HA PRO A 67 -9.375 10.387 0.104 1.00999.99 H new ATOM 0 HB2 PRO A 67 -9.181 11.523 2.610 1.00999.99 H new ATOM 0 HB3 PRO A 67 -10.632 10.662 2.137 1.00999.99 H new ATOM 0 HG2 PRO A 67 -8.376 9.755 3.886 1.00999.99 H new ATOM 0 HG3 PRO A 67 -10.091 9.421 4.029 1.00999.99 H new ATOM 0 HD2 PRO A 67 -8.238 7.616 2.965 1.00999.99 H new ATOM 0 HD3 PRO A 67 -9.958 7.550 2.638 1.00999.99 H new ATOM 1065 N CYS A 68 -6.757 10.317 -0.175 1.00801.96 N ATOM 1066 CA CYS A 68 -5.409 10.830 -0.408 1.00671.20 C ATOM 1067 C CYS A 68 -5.457 12.088 -1.273 1.00694.73 C ATOM 1068 O CYS A 68 -4.622 12.983 -1.131 1.00678.18 O ATOM 1069 CB CYS A 68 -4.548 9.766 -1.093 1.00629.47 C ATOM 1070 SG CYS A 68 -5.492 8.231 -1.266 1.00845.47 S ATOM 0 H CYS A 68 -7.093 9.668 -0.887 1.00801.96 H new ATOM 0 HA CYS A 68 -4.967 11.081 0.556 1.00671.20 H new ATOM 0 HB2 CYS A 68 -4.228 10.120 -2.073 1.00629.47 H new ATOM 0 HB3 CYS A 68 -3.645 9.585 -0.510 1.00629.47 H new ATOM 0 HG CYS A 68 -5.417 7.549 -0.162 1.00845.47 H new ATOM 1076 N LYS A 69 -6.444 12.147 -2.162 1.00786.15 N ATOM 1077 CA LYS A 69 -6.609 13.298 -3.048 1.00870.47 C ATOM 1078 C LYS A 69 -6.962 14.552 -2.251 1.00966.55 C ATOM 1079 O LYS A 69 -6.853 15.671 -2.756 1.00999.99 O ATOM 1080 CB LYS A 69 -7.712 13.006 -4.074 1.00999.99 C ATOM 1081 CG LYS A 69 -8.081 14.292 -4.824 1.00999.99 C ATOM 1082 CD LYS A 69 -9.175 13.996 -5.850 1.00999.99 C ATOM 1083 CE LYS A 69 -9.566 15.293 -6.561 1.00999.99 C ATOM 1084 NZ LYS A 69 -10.645 15.011 -7.550 1.00999.99 N ATOM 0 H LYS A 69 -7.141 11.413 -2.289 1.00786.15 H new ATOM 0 HA LYS A 69 -5.666 13.474 -3.565 1.00870.47 H new ATOM 0 HB2 LYS A 69 -7.373 12.248 -4.780 1.00999.99 H new ATOM 0 HB3 LYS A 69 -8.591 12.603 -3.571 1.00999.99 H new ATOM 0 HG2 LYS A 69 -8.425 15.049 -4.119 1.00999.99 H new ATOM 0 HG3 LYS A 69 -7.201 14.698 -5.323 1.00999.99 H new ATOM 0 HD2 LYS A 69 -8.821 13.263 -6.575 1.00999.99 H new ATOM 0 HD3 LYS A 69 -10.045 13.562 -5.356 1.00999.99 H new ATOM 0 HE2 LYS A 69 -9.908 16.030 -5.834 1.00999.99 H new ATOM 0 HE3 LYS A 69 -8.699 15.720 -7.065 1.00999.99 H new ATOM 0 HZ1 LYS A 69 -10.911 15.892 -8.034 1.00999.99 H new ATOM 0 HZ2 LYS A 69 -10.303 14.322 -8.250 1.00999.99 H new ATOM 0 HZ3 LYS A 69 -11.474 14.622 -7.058 1.00999.99 H new ATOM 1098 N GLU A 70 -7.390 14.361 -1.009 1.00992.46 N ATOM 1099 CA GLU A 70 -7.768 15.486 -0.162 1.00999.99 C ATOM 1100 C GLU A 70 -6.538 16.261 0.296 1.00999.99 C ATOM 1101 O GLU A 70 -6.555 17.492 0.345 1.00999.99 O ATOM 1102 CB GLU A 70 -8.531 14.978 1.061 1.00999.99 C ATOM 1103 CG GLU A 70 -9.881 14.403 0.620 1.00999.99 C ATOM 1104 CD GLU A 70 -10.627 13.807 1.817 1.00999.99 C ATOM 1105 OE1 GLU A 70 -10.110 13.882 2.920 1.00999.99 O ATOM 1106 OE2 GLU A 70 -11.708 13.282 1.609 1.00999.99 O ATOM 0 H GLU A 70 -7.484 13.446 -0.569 1.00992.46 H new ATOM 0 HA GLU A 70 -8.403 16.153 -0.744 1.00999.99 H new ATOM 0 HB2 GLU A 70 -7.948 14.213 1.574 1.00999.99 H new ATOM 0 HB3 GLU A 70 -8.685 15.791 1.770 1.00999.99 H new ATOM 0 HG2 GLU A 70 -10.484 15.187 0.161 1.00999.99 H new ATOM 0 HG3 GLU A 70 -9.726 13.635 -0.138 1.00999.99 H new ATOM 1113 N HIS A 71 -5.472 15.540 0.626 1.00910.00 N ATOM 1114 CA HIS A 71 -4.243 16.181 1.074 1.00906.67 C ATOM 1115 C HIS A 71 -3.374 16.548 -0.120 1.00848.28 C ATOM 1116 O HIS A 71 -2.961 15.678 -0.877 1.00773.55 O ATOM 1117 CB HIS A 71 -3.468 15.242 1.999 1.00905.59 C ATOM 1118 CG HIS A 71 -4.284 14.980 3.233 1.00999.99 C ATOM 1119 ND1 HIS A 71 -4.506 15.953 4.193 1.00999.99 N ATOM 1120 CD2 HIS A 71 -4.942 13.862 3.672 1.00999.99 C ATOM 1121 CE1 HIS A 71 -5.270 15.405 5.155 1.00999.99 C ATOM 1122 NE2 HIS A 71 -5.565 14.131 4.887 1.00999.99 N ATOM 0 H HIS A 71 -5.434 14.521 0.592 1.00910.00 H new ATOM 0 HA HIS A 71 -4.505 17.089 1.618 1.00906.67 H new ATOM 0 HB2 HIS A 71 -3.251 14.305 1.486 1.00905.59 H new ATOM 0 HB3 HIS A 71 -2.510 15.687 2.269 1.00905.59 H new ATOM 0 HD2 HIS A 71 -4.973 12.915 3.154 1.00999.99 H new ATOM 0 HE1 HIS A 71 -5.604 15.932 6.037 1.00999.99 H new ATOM 0 HE2 HIS A 71 -6.126 13.493 5.451 1.00999.99 H new ATOM 1130 N ASP A 72 -3.108 17.840 -0.293 1.00951.99 N ATOM 1131 CA ASP A 72 -2.288 18.303 -1.409 1.00966.30 C ATOM 1132 C ASP A 72 -0.885 17.709 -1.338 1.00905.95 C ATOM 1133 O ASP A 72 -0.314 17.321 -2.359 1.00846.19 O ATOM 1134 CB ASP A 72 -2.196 19.831 -1.387 1.00999.99 C ATOM 1135 CG ASP A 72 -1.146 20.311 -2.387 1.00999.99 C ATOM 1136 OD1 ASP A 72 -1.399 20.217 -3.575 1.00999.99 O ATOM 1137 OD2 ASP A 72 -0.101 20.762 -1.946 1.00999.99 O ATOM 0 H ASP A 72 -3.446 18.581 0.321 1.00951.99 H new ATOM 0 HA ASP A 72 -2.758 17.975 -2.336 1.00966.30 H new ATOM 0 HB2 ASP A 72 -3.166 20.264 -1.631 1.00999.99 H new ATOM 0 HB3 ASP A 72 -1.937 20.173 -0.385 1.00999.99 H new ATOM 1142 N VAL A 73 -0.334 17.644 -0.131 1.00993.31 N ATOM 1143 CA VAL A 73 1.006 17.100 0.057 1.00999.99 C ATOM 1144 C VAL A 73 1.055 15.644 -0.395 1.00839.39 C ATOM 1145 O VAL A 73 1.963 15.241 -1.124 1.00829.57 O ATOM 1146 CB VAL A 73 1.402 17.194 1.533 1.00999.99 C ATOM 1147 CG1 VAL A 73 2.719 16.445 1.765 1.00999.99 C ATOM 1148 CG2 VAL A 73 1.576 18.665 1.923 1.00999.99 C ATOM 0 H VAL A 73 -0.790 17.958 0.726 1.00993.31 H new ATOM 0 HA VAL A 73 1.706 17.680 -0.544 1.00999.99 H new ATOM 0 HB VAL A 73 0.620 16.744 2.144 1.00999.99 H new ATOM 0 HG11 VAL A 73 2.997 16.515 2.817 1.00999.99 H new ATOM 0 HG12 VAL A 73 2.595 15.397 1.491 1.00999.99 H new ATOM 0 HG13 VAL A 73 3.503 16.890 1.152 1.00999.99 H new ATOM 0 HG21 VAL A 73 1.858 18.732 2.974 1.00999.99 H new ATOM 0 HG22 VAL A 73 2.356 19.114 1.309 1.00999.99 H new ATOM 0 HG23 VAL A 73 0.638 19.197 1.764 1.00999.99 H new ATOM 1158 N ILE A 74 0.072 14.863 0.039 1.00759.17 N ATOM 1159 CA ILE A 74 0.008 13.455 -0.329 1.00640.39 C ATOM 1160 C ILE A 74 -0.644 13.287 -1.695 1.00513.18 C ATOM 1161 O ILE A 74 -0.332 12.348 -2.409 1.00448.21 O ATOM 1162 CB ILE A 74 -0.776 12.665 0.723 1.00706.01 C ATOM 1163 CG1 ILE A 74 -0.184 12.943 2.110 1.00906.56 C ATOM 1164 CG2 ILE A 74 -0.672 11.165 0.421 1.00677.60 C ATOM 1165 CD1 ILE A 74 -0.964 12.162 3.170 1.00999.99 C ATOM 0 H ILE A 74 -0.687 15.179 0.643 1.00759.17 H new ATOM 0 HA ILE A 74 1.026 13.068 -0.377 1.00640.39 H new ATOM 0 HB ILE A 74 -1.822 12.969 0.701 1.00706.01 H new ATOM 0 HG12 ILE A 74 0.867 12.654 2.132 1.00906.56 H new ATOM 0 HG13 ILE A 74 -0.226 14.010 2.327 1.00906.56 H new ATOM 0 HG21 ILE A 74 -1.230 10.603 1.170 1.00677.60 H new ATOM 0 HG22 ILE A 74 -1.086 10.963 -0.567 1.00677.60 H new ATOM 0 HG23 ILE A 74 0.374 10.861 0.445 1.00677.60 H new ATOM 0 HD11 ILE A 74 -0.541 12.362 4.154 1.00999.99 H new ATOM 0 HD12 ILE A 74 -2.009 12.472 3.155 1.00999.99 H new ATOM 0 HD13 ILE A 74 -0.899 11.095 2.957 1.00999.99 H new ATOM 1177 N GLY A 75 -1.549 14.206 -2.044 1.00579.23 N ATOM 1178 CA GLY A 75 -2.254 14.153 -3.329 1.00546.28 C ATOM 1179 C GLY A 75 -1.478 13.324 -4.338 1.00519.41 C ATOM 1180 O GLY A 75 -1.860 12.198 -4.623 1.00655.90 O ATOM 0 H GLY A 75 -1.811 14.996 -1.455 1.00579.23 H new ATOM 0 HA2 GLY A 75 -3.246 13.725 -3.187 1.00546.28 H new ATOM 0 HA3 GLY A 75 -2.395 15.163 -3.713 1.00546.28 H new ATOM 1184 N THR A 76 -0.407 13.909 -4.880 1.00527.93 N ATOM 1185 CA THR A 76 0.440 13.240 -5.880 1.00539.79 C ATOM 1186 C THR A 76 0.365 11.714 -5.773 1.00463.72 C ATOM 1187 O THR A 76 0.405 11.015 -6.787 1.00473.28 O ATOM 1188 CB THR A 76 1.897 13.682 -5.700 1.00639.27 C ATOM 1189 OG1 THR A 76 2.042 14.360 -4.460 1.00866.78 O ATOM 1190 CG2 THR A 76 2.297 14.614 -6.845 1.00789.27 C ATOM 0 H THR A 76 -0.101 14.853 -4.643 1.00527.93 H new ATOM 0 HA THR A 76 0.070 13.528 -6.864 1.00539.79 H new ATOM 0 HB THR A 76 2.543 12.804 -5.708 1.00639.27 H new ATOM 0 HG1 THR A 76 2.974 14.640 -4.347 1.00866.78 H new ATOM 0 HG21 THR A 76 3.333 14.927 -6.715 1.00789.27 H new ATOM 0 HG22 THR A 76 2.193 14.089 -7.795 1.00789.27 H new ATOM 0 HG23 THR A 76 1.650 15.491 -6.843 1.00789.27 H new ATOM 1198 N LYS A 77 0.243 11.202 -4.550 1.00421.27 N ATOM 1199 CA LYS A 77 0.148 9.761 -4.338 1.00387.97 C ATOM 1200 C LYS A 77 -0.981 9.167 -5.179 1.00387.45 C ATOM 1201 O LYS A 77 -0.908 8.009 -5.588 1.00380.59 O ATOM 1202 CB LYS A 77 -0.098 9.452 -2.846 1.00394.59 C ATOM 1203 CG LYS A 77 -1.432 8.713 -2.669 1.00428.35 C ATOM 1204 CD LYS A 77 -1.528 8.119 -1.266 1.00625.28 C ATOM 1205 CE LYS A 77 -0.563 6.939 -1.152 1.00728.45 C ATOM 1206 NZ LYS A 77 -1.070 5.975 -0.138 1.00999.99 N ATOM 0 H LYS A 77 0.208 11.760 -3.697 1.00421.27 H new ATOM 0 HA LYS A 77 1.092 9.310 -4.645 1.00387.97 H new ATOM 0 HB2 LYS A 77 0.717 8.844 -2.454 1.00394.59 H new ATOM 0 HB3 LYS A 77 -0.109 10.379 -2.272 1.00394.59 H new ATOM 0 HG2 LYS A 77 -2.261 9.400 -2.838 1.00428.35 H new ATOM 0 HG3 LYS A 77 -1.518 7.921 -3.413 1.00428.35 H new ATOM 0 HD2 LYS A 77 -1.285 8.876 -0.520 1.00625.28 H new ATOM 0 HD3 LYS A 77 -2.548 7.791 -1.066 1.00625.28 H new ATOM 0 HE2 LYS A 77 -0.461 6.445 -2.118 1.00728.45 H new ATOM 0 HE3 LYS A 77 0.428 7.293 -0.868 1.00728.45 H new ATOM 0 HZ1 LYS A 77 -0.532 5.087 -0.204 1.00999.99 H new ATOM 0 HZ2 LYS A 77 -0.955 6.379 0.813 1.00999.99 H new ATOM 0 HZ3 LYS A 77 -2.077 5.784 -0.314 1.00999.99 H new ATOM 1220 N VAL A 78 -2.017 9.959 -5.440 1.00424.27 N ATOM 1221 CA VAL A 78 -3.143 9.498 -6.238 1.00469.88 C ATOM 1222 C VAL A 78 -2.719 9.298 -7.690 1.00494.56 C ATOM 1223 O VAL A 78 -3.028 8.276 -8.301 1.00520.74 O ATOM 1224 CB VAL A 78 -4.281 10.527 -6.162 1.00546.23 C ATOM 1225 CG1 VAL A 78 -5.149 10.445 -7.423 1.00722.12 C ATOM 1226 CG2 VAL A 78 -5.145 10.246 -4.928 1.00812.96 C ATOM 0 H VAL A 78 -2.098 10.921 -5.110 1.00424.27 H new ATOM 0 HA VAL A 78 -3.490 8.543 -5.843 1.00469.88 H new ATOM 0 HB VAL A 78 -3.852 11.526 -6.088 1.00546.23 H new ATOM 0 HG11 VAL A 78 -5.953 11.178 -7.360 1.00722.12 H new ATOM 0 HG12 VAL A 78 -4.537 10.653 -8.300 1.00722.12 H new ATOM 0 HG13 VAL A 78 -5.575 9.445 -7.507 1.00722.12 H new ATOM 0 HG21 VAL A 78 -5.952 10.977 -4.875 1.00812.96 H new ATOM 0 HG22 VAL A 78 -5.567 9.244 -5.000 1.00812.96 H new ATOM 0 HG23 VAL A 78 -4.531 10.318 -4.030 1.00812.96 H new ATOM 1236 N CYS A 79 -2.011 10.288 -8.232 1.00517.73 N ATOM 1237 CA CYS A 79 -1.552 10.216 -9.615 1.00580.42 C ATOM 1238 C CYS A 79 -0.612 9.031 -9.797 1.00541.96 C ATOM 1239 O CYS A 79 -0.727 8.277 -10.763 1.00582.99 O ATOM 1240 CB CYS A 79 -0.830 11.511 -9.997 1.00654.61 C ATOM 1241 SG CYS A 79 -2.048 12.763 -10.471 1.00771.91 S ATOM 0 H CYS A 79 -1.746 11.141 -7.739 1.00517.73 H new ATOM 0 HA CYS A 79 -2.418 10.085 -10.263 1.00580.42 H new ATOM 0 HB2 CYS A 79 -0.233 11.868 -9.158 1.00654.61 H new ATOM 0 HB3 CYS A 79 -0.142 11.327 -10.822 1.00654.61 H new ATOM 0 HG CYS A 79 -1.436 13.864 -10.793 1.00771.91 H new ATOM 1247 N ALA A 80 0.311 8.869 -8.852 1.00483.48 N ATOM 1248 CA ALA A 80 1.260 7.765 -8.909 1.00468.62 C ATOM 1249 C ALA A 80 0.532 6.435 -8.745 1.00439.92 C ATOM 1250 O ALA A 80 0.848 5.457 -9.422 1.00470.01 O ATOM 1251 CB ALA A 80 2.310 7.918 -7.804 1.00436.90 C ATOM 0 H ALA A 80 0.420 9.483 -8.045 1.00483.48 H new ATOM 0 HA ALA A 80 1.756 7.781 -9.880 1.00468.62 H new ATOM 0 HB1 ALA A 80 3.015 7.088 -7.855 1.00436.90 H new ATOM 0 HB2 ALA A 80 2.846 8.858 -7.939 1.00436.90 H new ATOM 0 HB3 ALA A 80 1.818 7.917 -6.832 1.00436.90 H new ATOM 1257 N LEU A 81 -0.449 6.412 -7.846 1.00407.97 N ATOM 1258 CA LEU A 81 -1.223 5.201 -7.603 1.00420.51 C ATOM 1259 C LEU A 81 -1.980 4.791 -8.860 1.00498.91 C ATOM 1260 O LEU A 81 -1.987 3.618 -9.240 1.00527.52 O ATOM 1261 CB LEU A 81 -2.215 5.439 -6.457 1.00426.99 C ATOM 1262 CG LEU A 81 -3.138 4.225 -6.306 1.00512.39 C ATOM 1263 CD1 LEU A 81 -2.314 2.998 -5.916 1.00589.99 C ATOM 1264 CD2 LEU A 81 -4.181 4.505 -5.220 1.00703.45 C ATOM 0 H LEU A 81 -0.724 7.213 -7.278 1.00407.97 H new ATOM 0 HA LEU A 81 -0.538 4.399 -7.329 1.00420.51 H new ATOM 0 HB2 LEU A 81 -1.674 5.614 -5.527 1.00426.99 H new ATOM 0 HB3 LEU A 81 -2.806 6.333 -6.655 1.00426.99 H new ATOM 0 HG LEU A 81 -3.642 4.036 -7.254 1.00512.39 H new ATOM 0 HD11 LEU A 81 -2.973 2.136 -5.809 1.00589.99 H new ATOM 0 HD12 LEU A 81 -1.574 2.795 -6.690 1.00589.99 H new ATOM 0 HD13 LEU A 81 -1.807 3.186 -4.970 1.00589.99 H new ATOM 0 HD21 LEU A 81 -4.837 3.641 -5.114 1.00703.45 H new ATOM 0 HD22 LEU A 81 -3.677 4.697 -4.273 1.00703.45 H new ATOM 0 HD23 LEU A 81 -4.772 5.377 -5.500 1.00703.45 H new ATOM 1276 N LEU A 82 -2.612 5.766 -9.506 1.00555.88 N ATOM 1277 CA LEU A 82 -3.366 5.499 -10.724 1.00664.13 C ATOM 1278 C LEU A 82 -2.436 4.995 -11.824 1.00686.96 C ATOM 1279 O LEU A 82 -2.760 4.047 -12.541 1.00750.82 O ATOM 1280 CB LEU A 82 -4.079 6.774 -11.186 1.00751.54 C ATOM 1281 CG LEU A 82 -5.202 6.414 -12.166 1.00938.54 C ATOM 1282 CD1 LEU A 82 -6.249 5.548 -11.459 1.00999.99 C ATOM 1283 CD2 LEU A 82 -5.865 7.698 -12.675 1.00999.99 C ATOM 0 H LEU A 82 -2.617 6.742 -9.208 1.00555.88 H new ATOM 0 HA LEU A 82 -4.109 4.729 -10.515 1.00664.13 H new ATOM 0 HB2 LEU A 82 -4.490 7.304 -10.327 1.00751.54 H new ATOM 0 HB3 LEU A 82 -3.367 7.447 -11.665 1.00751.54 H new ATOM 0 HG LEU A 82 -4.783 5.860 -13.006 1.00938.54 H new ATOM 0 HD11 LEU A 82 -7.045 5.295 -12.159 1.00999.99 H new ATOM 0 HD12 LEU A 82 -5.780 4.633 -11.097 1.00999.99 H new ATOM 0 HD13 LEU A 82 -6.668 6.099 -10.617 1.00999.99 H new ATOM 0 HD21 LEU A 82 -6.664 7.444 -13.372 1.00999.99 H new ATOM 0 HD22 LEU A 82 -6.281 8.251 -11.833 1.00999.99 H new ATOM 0 HD23 LEU A 82 -5.123 8.314 -13.183 1.00999.99 H new ATOM 1295 N ASP A 83 -1.277 5.638 -11.949 1.00660.49 N ATOM 1296 CA ASP A 83 -0.303 5.249 -12.960 1.00713.31 C ATOM 1297 C ASP A 83 0.197 3.833 -12.700 1.00680.53 C ATOM 1298 O ASP A 83 0.369 3.045 -13.629 1.00760.39 O ATOM 1299 CB ASP A 83 0.879 6.225 -12.950 1.00721.78 C ATOM 1300 CG ASP A 83 0.573 7.456 -13.806 1.00885.56 C ATOM 1301 OD1 ASP A 83 -0.269 7.359 -14.685 1.00999.99 O ATOM 1302 OD2 ASP A 83 1.186 8.483 -13.565 1.00973.08 O ATOM 0 H ASP A 83 -0.993 6.425 -11.366 1.00660.49 H new ATOM 0 HA ASP A 83 -0.786 5.277 -13.937 1.00713.31 H new ATOM 0 HB2 ASP A 83 1.094 6.532 -11.927 1.00721.78 H new ATOM 0 HB3 ASP A 83 1.772 5.726 -13.328 1.00721.78 H new ATOM 1307 N ARG A 84 0.416 3.511 -11.429 1.00589.92 N ATOM 1308 CA ARG A 84 0.881 2.179 -11.061 1.00583.56 C ATOM 1309 C ARG A 84 -0.173 1.131 -11.387 1.00630.94 C ATOM 1310 O ARG A 84 0.147 0.040 -11.860 1.00692.12 O ATOM 1311 CB ARG A 84 1.231 2.127 -9.574 1.00519.00 C ATOM 1312 CG ARG A 84 2.554 2.857 -9.336 1.00460.80 C ATOM 1313 CD ARG A 84 2.864 2.882 -7.841 1.00578.99 C ATOM 1314 NE ARG A 84 4.184 3.461 -7.612 1.00759.11 N ATOM 1315 CZ ARG A 84 4.478 4.091 -6.478 1.00898.21 C ATOM 1316 NH1 ARG A 84 3.573 4.228 -5.548 1.00911.01 N ATOM 1317 NH2 ARG A 84 5.675 4.578 -6.298 1.00999.99 N ATOM 0 H ARG A 84 0.280 4.147 -10.644 1.00589.92 H new ATOM 0 HA ARG A 84 1.778 1.960 -11.641 1.00583.56 H new ATOM 0 HB2 ARG A 84 0.438 2.589 -8.986 1.00519.00 H new ATOM 0 HB3 ARG A 84 1.310 1.091 -9.244 1.00519.00 H new ATOM 0 HG2 ARG A 84 3.359 2.358 -9.876 1.00460.80 H new ATOM 0 HG3 ARG A 84 2.494 3.875 -9.722 1.00460.80 H new ATOM 0 HD2 ARG A 84 2.107 3.463 -7.314 1.00578.99 H new ATOM 0 HD3 ARG A 84 2.827 1.870 -7.437 1.00578.99 H new ATOM 0 HE ARG A 84 4.897 3.381 -8.337 1.00759.11 H new ATOM 0 HH11 ARG A 84 2.636 3.851 -5.689 1.00911.01 H new ATOM 0 HH12 ARG A 84 3.803 4.712 -4.680 1.00911.01 H new ATOM 0 HH21 ARG A 84 6.382 4.475 -7.026 1.00999.99 H new ATOM 0 HH22 ARG A 84 5.904 5.062 -5.430 1.00999.99 H new ATOM 1331 N LEU A 85 -1.430 1.473 -11.133 1.00627.93 N ATOM 1332 CA LEU A 85 -2.533 0.560 -11.405 1.00709.13 C ATOM 1333 C LEU A 85 -2.811 0.493 -12.907 1.00815.80 C ATOM 1334 O LEU A 85 -3.444 -0.448 -13.388 1.00910.79 O ATOM 1335 CB LEU A 85 -3.789 1.026 -10.662 1.00705.05 C ATOM 1336 CG LEU A 85 -4.860 -0.070 -10.714 1.00818.96 C ATOM 1337 CD1 LEU A 85 -4.925 -0.793 -9.367 1.00934.11 C ATOM 1338 CD2 LEU A 85 -6.221 0.560 -11.025 1.00985.93 C ATOM 0 H LEU A 85 -1.710 2.372 -10.741 1.00627.93 H new ATOM 0 HA LEU A 85 -2.258 -0.435 -11.056 1.00709.13 H new ATOM 0 HB2 LEU A 85 -3.544 1.259 -9.626 1.00705.05 H new ATOM 0 HB3 LEU A 85 -4.171 1.942 -11.113 1.00705.05 H new ATOM 0 HG LEU A 85 -4.605 -0.787 -11.494 1.00818.96 H new ATOM 0 HD11 LEU A 85 -5.687 -1.571 -9.408 1.00934.11 H new ATOM 0 HD12 LEU A 85 -3.957 -1.244 -9.149 1.00934.11 H new ATOM 0 HD13 LEU A 85 -5.177 -0.079 -8.583 1.00934.11 H new ATOM 0 HD21 LEU A 85 -6.983 -0.219 -11.062 1.00985.93 H new ATOM 0 HD22 LEU A 85 -6.475 1.279 -10.247 1.00985.93 H new ATOM 0 HD23 LEU A 85 -6.175 1.069 -11.988 1.00985.93 H new ATOM 1350 N ALA A 86 -2.342 1.501 -13.641 1.00838.04 N ATOM 1351 CA ALA A 86 -2.553 1.548 -15.085 1.00974.10 C ATOM 1352 C ALA A 86 -1.876 0.368 -15.778 1.00999.99 C ATOM 1353 O ALA A 86 -2.471 -0.273 -16.646 1.00999.99 O ATOM 1354 CB ALA A 86 -2.001 2.857 -15.652 1.00999.99 C ATOM 0 H ALA A 86 -1.818 2.290 -13.262 1.00838.04 H new ATOM 0 HA ALA A 86 -3.626 1.491 -15.271 1.00974.10 H new ATOM 0 HB1 ALA A 86 -2.163 2.884 -16.730 1.00999.99 H new ATOM 0 HB2 ALA A 86 -2.513 3.699 -15.187 1.00999.99 H new ATOM 0 HB3 ALA A 86 -0.933 2.922 -15.444 1.00999.99 H new ATOM 1360 N GLY A 87 -0.633 0.084 -15.393 1.00996.07 N ATOM 1361 CA GLY A 87 0.105 -1.023 -15.995 1.00999.99 C ATOM 1362 C GLY A 87 1.468 -1.208 -15.339 1.00999.99 C ATOM 1363 O GLY A 87 1.783 -2.289 -14.846 1.00999.99 O ATOM 0 H GLY A 87 -0.121 0.598 -14.676 1.00996.07 H new ATOM 0 HA2 GLY A 87 -0.474 -1.942 -15.900 1.00999.99 H new ATOM 0 HA3 GLY A 87 0.235 -0.838 -17.061 1.00999.99 H new ATOM 1367 N ASP A 88 2.272 -0.149 -15.336 1.00899.71 N ATOM 1368 CA ASP A 88 3.604 -0.212 -14.736 1.00838.30 C ATOM 1369 C ASP A 88 3.521 0.034 -13.238 1.00520.98 C ATOM 1370 O ASP A 88 3.196 1.136 -12.807 1.00619.61 O ATOM 1371 CB ASP A 88 4.519 0.839 -15.375 1.00999.99 C ATOM 1372 CG ASP A 88 4.919 0.421 -16.789 1.00999.99 C ATOM 1373 OD1 ASP A 88 4.628 -0.704 -17.169 1.00999.99 O ATOM 1374 OD2 ASP A 88 5.515 1.234 -17.475 1.00999.99 O ATOM 0 H ASP A 88 2.029 0.756 -15.738 1.00899.71 H new ATOM 0 HA ASP A 88 4.015 -1.206 -14.913 1.00838.30 H new ATOM 0 HB2 ASP A 88 4.009 1.802 -15.406 1.00999.99 H new ATOM 0 HB3 ASP A 88 5.412 0.971 -14.764 1.00999.99 H new ATOM 1379 N TYR A 89 3.819 -0.996 -12.450 1.00422.59 N ATOM 1380 CA TYR A 89 3.768 -0.876 -10.995 1.00364.23 C ATOM 1381 C TYR A 89 5.180 -0.882 -10.408 1.00294.05 C ATOM 1382 O TYR A 89 5.936 0.071 -10.600 1.00424.42 O ATOM 1383 CB TYR A 89 2.931 -2.028 -10.402 1.00510.19 C ATOM 1384 CG TYR A 89 3.092 -3.276 -11.252 1.00754.80 C ATOM 1385 CD1 TYR A 89 2.264 -3.463 -12.365 1.00953.63 C ATOM 1386 CD2 TYR A 89 4.065 -4.240 -10.939 1.00999.99 C ATOM 1387 CE1 TYR A 89 2.405 -4.605 -13.162 1.00999.99 C ATOM 1388 CE2 TYR A 89 4.204 -5.380 -11.738 1.00999.99 C ATOM 1389 CZ TYR A 89 3.375 -5.563 -12.848 1.00999.99 C ATOM 1390 OH TYR A 89 3.514 -6.688 -13.634 1.00999.99 O ATOM 0 H TYR A 89 4.096 -1.917 -12.791 1.00422.59 H new ATOM 0 HA TYR A 89 3.295 0.071 -10.736 1.00364.23 H new ATOM 0 HB2 TYR A 89 3.249 -2.231 -9.379 1.00510.19 H new ATOM 0 HB3 TYR A 89 1.881 -1.741 -10.358 1.00510.19 H new ATOM 0 HD1 TYR A 89 1.515 -2.725 -12.609 1.00953.63 H new ATOM 0 HD2 TYR A 89 4.706 -4.101 -10.081 1.00999.99 H new ATOM 0 HE1 TYR A 89 1.765 -4.747 -14.020 1.00999.99 H new ATOM 0 HE2 TYR A 89 4.953 -6.120 -11.497 1.00999.99 H new ATOM 0 HH TYR A 89 4.234 -7.249 -13.277 1.00999.99 H new ATOM 1400 N VAL A 90 5.532 -1.954 -9.707 1.00235.15 N ATOM 1401 CA VAL A 90 6.853 -2.083 -9.107 1.00206.72 C ATOM 1402 C VAL A 90 7.224 -3.564 -9.013 1.00186.74 C ATOM 1403 O VAL A 90 6.578 -4.326 -8.294 1.00199.10 O ATOM 1404 CB VAL A 90 6.863 -1.438 -7.714 1.00206.26 C ATOM 1405 CG1 VAL A 90 7.469 -0.035 -7.804 1.00390.26 C ATOM 1406 CG2 VAL A 90 5.430 -1.330 -7.183 1.00240.87 C ATOM 0 H VAL A 90 4.916 -2.750 -9.540 1.00235.15 H new ATOM 0 HA VAL A 90 7.587 -1.570 -9.729 1.00206.72 H new ATOM 0 HB VAL A 90 7.457 -2.055 -7.040 1.00206.26 H new ATOM 0 HG11 VAL A 90 7.476 0.423 -6.815 1.00390.26 H new ATOM 0 HG12 VAL A 90 8.490 -0.103 -8.179 1.00390.26 H new ATOM 0 HG13 VAL A 90 6.873 0.576 -8.482 1.00390.26 H new ATOM 0 HG21 VAL A 90 5.442 -0.872 -6.194 1.00240.87 H new ATOM 0 HG22 VAL A 90 4.836 -0.716 -7.860 1.00240.87 H new ATOM 0 HG23 VAL A 90 4.991 -2.325 -7.116 1.00240.87 H new ATOM 1416 N TYR A 91 8.259 -3.965 -9.745 1.00188.92 N ATOM 1417 CA TYR A 91 8.697 -5.364 -9.742 1.00181.31 C ATOM 1418 C TYR A 91 9.403 -5.665 -8.432 1.00154.51 C ATOM 1419 O TYR A 91 9.937 -4.750 -7.807 1.00182.52 O ATOM 1420 CB TYR A 91 9.653 -5.603 -10.909 1.00264.00 C ATOM 1421 CG TYR A 91 9.090 -4.961 -12.154 1.00269.48 C ATOM 1422 CD1 TYR A 91 8.027 -5.564 -12.836 1.00287.38 C ATOM 1423 CD2 TYR A 91 9.625 -3.752 -12.617 1.00325.53 C ATOM 1424 CE1 TYR A 91 7.502 -4.960 -13.983 1.00336.43 C ATOM 1425 CE2 TYR A 91 9.099 -3.148 -13.764 1.00356.11 C ATOM 1426 CZ TYR A 91 8.037 -3.752 -14.447 1.00349.25 C ATOM 1427 OH TYR A 91 7.517 -3.156 -15.579 1.00421.31 O ATOM 0 H TYR A 91 8.809 -3.350 -10.345 1.00188.92 H new ATOM 0 HA TYR A 91 7.832 -6.019 -9.848 1.00181.31 H new ATOM 0 HB2 TYR A 91 10.634 -5.185 -10.682 1.00264.00 H new ATOM 0 HB3 TYR A 91 9.791 -6.672 -11.068 1.00264.00 H new ATOM 0 HD1 TYR A 91 7.613 -6.495 -12.477 1.00287.38 H new ATOM 0 HD2 TYR A 91 10.444 -3.286 -12.088 1.00325.53 H new ATOM 0 HE1 TYR A 91 6.683 -5.426 -14.511 1.00336.43 H new ATOM 0 HE2 TYR A 91 9.512 -2.217 -14.122 1.00356.11 H new ATOM 0 HH TYR A 91 8.002 -2.324 -15.763 1.00421.31 H new ATOM 1437 N LEU A 92 9.440 -6.923 -7.995 1.00133.41 N ATOM 1438 CA LEU A 92 10.117 -7.259 -6.754 1.00142.25 C ATOM 1439 C LEU A 92 10.816 -8.606 -6.926 1.00160.87 C ATOM 1440 O LEU A 92 10.231 -9.545 -7.470 1.00157.54 O ATOM 1441 CB LEU A 92 9.095 -7.351 -5.616 1.00140.89 C ATOM 1442 CG LEU A 92 9.742 -7.985 -4.377 1.00172.11 C ATOM 1443 CD1 LEU A 92 8.988 -7.542 -3.122 1.00247.34 C ATOM 1444 CD2 LEU A 92 9.684 -9.516 -4.489 1.00206.93 C ATOM 0 H LEU A 92 9.014 -7.714 -8.478 1.00133.41 H new ATOM 0 HA LEU A 92 10.849 -6.489 -6.511 1.00142.25 H new ATOM 0 HB2 LEU A 92 8.720 -6.357 -5.372 1.00140.89 H new ATOM 0 HB3 LEU A 92 8.238 -7.946 -5.933 1.00140.89 H new ATOM 0 HG LEU A 92 10.782 -7.664 -4.312 1.00172.11 H new ATOM 0 HD11 LEU A 92 9.448 -7.993 -2.243 1.00247.34 H new ATOM 0 HD12 LEU A 92 9.030 -6.456 -3.037 1.00247.34 H new ATOM 0 HD13 LEU A 92 7.948 -7.861 -3.191 1.00247.34 H new ATOM 0 HD21 LEU A 92 10.144 -9.963 -3.608 1.00206.93 H new ATOM 0 HD22 LEU A 92 8.645 -9.837 -4.558 1.00206.93 H new ATOM 0 HD23 LEU A 92 10.222 -9.836 -5.381 1.00206.93 H new ATOM 1456 N PHE A 93 12.060 -8.699 -6.473 1.00199.84 N ATOM 1457 CA PHE A 93 12.814 -9.951 -6.599 1.00237.53 C ATOM 1458 C PHE A 93 13.717 -10.168 -5.393 1.00292.50 C ATOM 1459 O PHE A 93 13.985 -9.242 -4.631 1.00328.03 O ATOM 1460 CB PHE A 93 13.663 -9.945 -7.879 1.00292.44 C ATOM 1461 CG PHE A 93 13.462 -8.646 -8.622 1.00409.65 C ATOM 1462 CD1 PHE A 93 14.228 -7.522 -8.293 1.00653.81 C ATOM 1463 CD2 PHE A 93 12.503 -8.567 -9.638 1.00557.62 C ATOM 1464 CE1 PHE A 93 14.034 -6.319 -8.981 1.00999.99 C ATOM 1465 CE2 PHE A 93 12.311 -7.366 -10.325 1.00922.21 C ATOM 1466 CZ PHE A 93 13.076 -6.242 -9.997 1.00999.99 C ATOM 0 H PHE A 93 12.567 -7.938 -6.021 1.00199.84 H new ATOM 0 HA PHE A 93 12.093 -10.767 -6.650 1.00237.53 H new ATOM 0 HB2 PHE A 93 14.716 -10.071 -7.628 1.00292.44 H new ATOM 0 HB3 PHE A 93 13.384 -10.785 -8.515 1.00292.44 H new ATOM 0 HD1 PHE A 93 14.968 -7.583 -7.509 1.00653.81 H new ATOM 0 HD2 PHE A 93 11.911 -9.434 -9.891 1.00557.62 H new ATOM 0 HE1 PHE A 93 14.624 -5.450 -8.728 1.00999.99 H new ATOM 0 HE2 PHE A 93 11.572 -7.305 -11.110 1.00922.21 H new ATOM 0 HZ PHE A 93 12.927 -5.314 -10.529 1.00999.99 H new ATOM 1476 N ASP A 94 14.185 -11.401 -5.232 1.00326.04 N ATOM 1477 CA ASP A 94 15.062 -11.740 -4.117 1.00410.41 C ATOM 1478 C ASP A 94 16.492 -11.293 -4.411 1.00508.21 C ATOM 1479 O ASP A 94 16.755 -10.659 -5.433 1.00524.81 O ATOM 1480 CB ASP A 94 15.036 -13.254 -3.872 1.00438.76 C ATOM 1481 CG ASP A 94 15.581 -14.013 -5.086 1.00574.47 C ATOM 1482 OD1 ASP A 94 15.678 -13.420 -6.152 1.00841.49 O ATOM 1483 OD2 ASP A 94 15.897 -15.181 -4.932 1.00616.44 O ATOM 0 H ASP A 94 13.973 -12.179 -5.856 1.00326.04 H new ATOM 0 HA ASP A 94 14.706 -11.224 -3.226 1.00410.41 H new ATOM 0 HB2 ASP A 94 15.631 -13.494 -2.991 1.00438.76 H new ATOM 0 HB3 ASP A 94 14.015 -13.576 -3.665 1.00438.76 H new ATOM 1488 N GLU A 95 17.408 -11.625 -3.505 1.00622.11 N ATOM 1489 CA GLU A 95 18.809 -11.252 -3.672 1.00768.28 C ATOM 1490 C GLU A 95 19.481 -12.134 -4.725 1.00810.89 C ATOM 1491 O GLU A 95 20.545 -12.707 -4.484 1.00999.99 O ATOM 1492 CB GLU A 95 19.544 -11.391 -2.338 1.00911.56 C ATOM 1493 CG GLU A 95 19.019 -10.344 -1.350 1.00999.99 C ATOM 1494 CD GLU A 95 19.672 -10.522 0.022 1.00999.99 C ATOM 1495 OE1 GLU A 95 20.477 -11.430 0.171 1.00999.99 O ATOM 1496 OE2 GLU A 95 19.357 -9.745 0.907 1.00999.99 O ATOM 0 H GLU A 95 17.207 -12.148 -2.653 1.00622.11 H new ATOM 0 HA GLU A 95 18.854 -10.216 -4.007 1.00768.28 H new ATOM 0 HB2 GLU A 95 19.398 -12.393 -1.934 1.00911.56 H new ATOM 0 HB3 GLU A 95 20.616 -11.260 -2.487 1.00911.56 H new ATOM 0 HG2 GLU A 95 19.225 -9.343 -1.729 1.00999.99 H new ATOM 0 HG3 GLU A 95 17.937 -10.434 -1.258 1.00999.99 H new ATOM 1503 N GLY A 96 18.851 -12.236 -5.891 1.00684.05 N ATOM 1504 CA GLY A 96 19.392 -13.046 -6.978 1.00763.23 C ATOM 1505 C GLY A 96 18.899 -12.538 -8.328 1.00752.54 C ATOM 1506 O GLY A 96 19.697 -12.227 -9.213 1.00951.76 O ATOM 0 H GLY A 96 17.970 -11.771 -6.107 1.00684.05 H new ATOM 0 HA2 GLY A 96 20.481 -13.020 -6.950 1.00763.23 H new ATOM 0 HA3 GLY A 96 19.095 -14.086 -6.845 1.00763.23 H new ATOM 1510 N GLY A 97 17.579 -12.457 -8.478 1.00633.38 N ATOM 1511 CA GLY A 97 16.985 -11.985 -9.724 1.00633.31 C ATOM 1512 C GLY A 97 15.703 -12.746 -10.027 1.00557.09 C ATOM 1513 O GLY A 97 14.859 -12.282 -10.794 1.00556.63 O ATOM 0 H GLY A 97 16.905 -12.711 -7.756 1.00633.38 H new ATOM 0 HA2 GLY A 97 16.773 -10.918 -9.651 1.00633.31 H new ATOM 0 HA3 GLY A 97 17.693 -12.114 -10.543 1.00633.31 H new ATOM 1517 N ASP A 98 15.564 -13.917 -9.415 1.00537.67 N ATOM 1518 CA ASP A 98 14.381 -14.741 -9.617 1.00490.62 C ATOM 1519 C ASP A 98 13.175 -14.128 -8.916 1.00382.67 C ATOM 1520 O ASP A 98 13.275 -13.668 -7.777 1.00357.57 O ATOM 1521 CB ASP A 98 14.635 -16.150 -9.074 1.00530.52 C ATOM 1522 CG ASP A 98 15.446 -16.980 -10.072 1.00659.55 C ATOM 1523 OD1 ASP A 98 15.682 -16.501 -11.173 1.00774.99 O ATOM 1524 OD2 ASP A 98 15.819 -18.087 -9.723 1.00743.65 O ATOM 0 H ASP A 98 16.254 -14.315 -8.777 1.00537.67 H new ATOM 0 HA ASP A 98 14.171 -14.795 -10.685 1.00490.62 H new ATOM 0 HB2 ASP A 98 15.170 -16.088 -8.126 1.00530.52 H new ATOM 0 HB3 ASP A 98 13.684 -16.643 -8.872 1.00530.52 H new ATOM 1529 N GLU A 99 12.036 -14.128 -9.603 1.00363.53 N ATOM 1530 CA GLU A 99 10.814 -13.570 -9.037 1.00292.68 C ATOM 1531 C GLU A 99 10.245 -14.509 -7.978 1.00269.70 C ATOM 1532 O GLU A 99 9.440 -15.390 -8.280 1.00299.83 O ATOM 1533 CB GLU A 99 9.778 -13.357 -10.144 1.00326.92 C ATOM 1534 CG GLU A 99 10.246 -12.239 -11.082 1.00395.15 C ATOM 1535 CD GLU A 99 9.258 -12.062 -12.237 1.00515.56 C ATOM 1536 OE1 GLU A 99 8.252 -12.754 -12.254 1.00594.63 O ATOM 1537 OE2 GLU A 99 9.525 -11.233 -13.091 1.00691.20 O ATOM 0 H GLU A 99 11.935 -14.505 -10.545 1.00363.53 H new ATOM 0 HA GLU A 99 11.050 -12.613 -8.572 1.00292.68 H new ATOM 0 HB2 GLU A 99 9.637 -14.280 -10.706 1.00326.92 H new ATOM 0 HB3 GLU A 99 8.813 -13.099 -9.708 1.00326.92 H new ATOM 0 HG2 GLU A 99 10.338 -11.305 -10.527 1.00395.15 H new ATOM 0 HG3 GLU A 99 11.235 -12.475 -11.474 1.00395.15 H new ATOM 1544 N VAL A 100 10.675 -14.311 -6.735 1.00253.92 N ATOM 1545 CA VAL A 100 10.211 -15.141 -5.630 1.00275.86 C ATOM 1546 C VAL A 100 10.178 -14.335 -4.335 1.00274.32 C ATOM 1547 O VAL A 100 10.962 -13.403 -4.152 1.00282.12 O ATOM 1548 CB VAL A 100 11.133 -16.362 -5.471 1.00333.34 C ATOM 1549 CG1 VAL A 100 11.288 -16.721 -3.989 1.00455.34 C ATOM 1550 CG2 VAL A 100 10.530 -17.558 -6.218 1.00434.03 C ATOM 0 H VAL A 100 11.341 -13.586 -6.469 1.00253.92 H new ATOM 0 HA VAL A 100 9.200 -15.484 -5.849 1.00275.86 H new ATOM 0 HB VAL A 100 12.112 -16.120 -5.884 1.00333.34 H new ATOM 0 HG11 VAL A 100 11.943 -17.587 -3.891 1.00455.34 H new ATOM 0 HG12 VAL A 100 11.721 -15.876 -3.453 1.00455.34 H new ATOM 0 HG13 VAL A 100 10.311 -16.956 -3.567 1.00455.34 H new ATOM 0 HG21 VAL A 100 11.183 -18.424 -6.106 1.00434.03 H new ATOM 0 HG22 VAL A 100 9.548 -17.788 -5.804 1.00434.03 H new ATOM 0 HG23 VAL A 100 10.430 -17.314 -7.276 1.00434.03 H new ATOM 1560 N ILE A 101 9.274 -14.713 -3.436 1.00312.17 N ATOM 1561 CA ILE A 101 9.153 -14.033 -2.152 1.00352.22 C ATOM 1562 C ILE A 101 10.047 -14.702 -1.116 1.00417.99 C ATOM 1563 O ILE A 101 9.935 -15.903 -0.866 1.00462.67 O ATOM 1564 CB ILE A 101 7.697 -14.064 -1.676 1.00419.76 C ATOM 1565 CG1 ILE A 101 6.839 -13.193 -2.602 1.00403.64 C ATOM 1566 CG2 ILE A 101 7.610 -13.526 -0.245 1.00501.24 C ATOM 1567 CD1 ILE A 101 6.429 -13.997 -3.838 1.00438.75 C ATOM 0 H ILE A 101 8.618 -15.482 -3.572 1.00312.17 H new ATOM 0 HA ILE A 101 9.467 -12.996 -2.275 1.00352.22 H new ATOM 0 HB ILE A 101 7.332 -15.091 -1.698 1.00419.76 H new ATOM 0 HG12 ILE A 101 5.952 -12.847 -2.072 1.00403.64 H new ATOM 0 HG13 ILE A 101 7.397 -12.306 -2.902 1.00403.64 H new ATOM 0 HG21 ILE A 101 6.573 -13.550 0.090 1.00501.24 H new ATOM 0 HG22 ILE A 101 8.219 -14.145 0.414 1.00501.24 H new ATOM 0 HG23 ILE A 101 7.976 -12.500 -0.219 1.00501.24 H new ATOM 0 HD11 ILE A 101 5.820 -13.373 -4.492 1.00438.75 H new ATOM 0 HD12 ILE A 101 7.321 -14.321 -4.374 1.00438.75 H new ATOM 0 HD13 ILE A 101 5.854 -14.870 -3.530 1.00438.75 H new ATOM 1579 N ALA A 102 10.934 -13.915 -0.518 1.00448.60 N ATOM 1580 CA ALA A 102 11.849 -14.433 0.492 1.00546.52 C ATOM 1581 C ALA A 102 12.031 -13.417 1.616 1.00635.24 C ATOM 1582 O ALA A 102 11.483 -12.317 1.564 1.00610.13 O ATOM 1583 CB ALA A 102 13.205 -14.748 -0.150 1.00532.60 C ATOM 0 H ALA A 102 11.039 -12.920 -0.714 1.00448.60 H new ATOM 0 HA ALA A 102 11.428 -15.346 0.912 1.00546.52 H new ATOM 0 HB1 ALA A 102 13.886 -15.135 0.608 1.00532.60 H new ATOM 0 HB2 ALA A 102 13.072 -15.495 -0.933 1.00532.60 H new ATOM 0 HB3 ALA A 102 13.623 -13.839 -0.583 1.00532.60 H new ATOM 1589 N PRO A 103 12.789 -13.764 2.624 1.00762.19 N ATOM 1590 CA PRO A 103 13.051 -12.862 3.784 1.00894.07 C ATOM 1591 C PRO A 103 13.529 -11.481 3.338 1.00842.24 C ATOM 1592 O PRO A 103 13.179 -10.469 3.946 1.00896.95 O ATOM 1593 CB PRO A 103 14.143 -13.588 4.575 1.00999.99 C ATOM 1594 CG PRO A 103 14.020 -15.027 4.198 1.00999.99 C ATOM 1595 CD PRO A 103 13.474 -15.059 2.772 1.00825.14 C ATOM 0 HA PRO A 103 12.150 -12.677 4.369 1.00894.07 H new ATOM 0 HB2 PRO A 103 15.131 -13.200 4.326 1.00999.99 H new ATOM 0 HB3 PRO A 103 14.007 -13.451 5.648 1.00999.99 H new ATOM 0 HG2 PRO A 103 14.987 -15.526 4.254 1.00999.99 H new ATOM 0 HG3 PRO A 103 13.351 -15.551 4.881 1.00999.99 H new ATOM 0 HD2 PRO A 103 14.274 -15.173 2.041 1.00825.14 H new ATOM 0 HD3 PRO A 103 12.787 -15.893 2.626 1.00825.14 H new ATOM 1603 N ARG A 104 14.331 -11.451 2.275 1.00767.27 N ATOM 1604 CA ARG A 104 14.854 -10.191 1.753 1.00751.85 C ATOM 1605 C ARG A 104 14.474 -10.022 0.286 1.00586.81 C ATOM 1606 O ARG A 104 15.130 -10.568 -0.603 1.00577.48 O ATOM 1607 CB ARG A 104 16.377 -10.165 1.898 1.00891.51 C ATOM 1608 CG ARG A 104 16.751 -10.398 3.365 1.00999.99 C ATOM 1609 CD ARG A 104 17.756 -11.547 3.466 1.00999.99 C ATOM 1610 NE ARG A 104 19.120 -11.037 3.404 1.00999.99 N ATOM 1611 CZ ARG A 104 20.151 -11.779 3.797 1.00999.99 C ATOM 1612 NH1 ARG A 104 19.954 -12.991 4.241 1.00999.99 N ATOM 1613 NH2 ARG A 104 21.361 -11.295 3.740 1.00999.99 N ATOM 0 H ARG A 104 14.631 -12.280 1.761 1.00767.27 H new ATOM 0 HA ARG A 104 14.420 -9.370 2.323 1.00751.85 H new ATOM 0 HB2 ARG A 104 16.827 -10.934 1.270 1.00891.51 H new ATOM 0 HB3 ARG A 104 16.770 -9.206 1.559 1.00891.51 H new ATOM 0 HG2 ARG A 104 17.179 -9.490 3.790 1.00999.99 H new ATOM 0 HG3 ARG A 104 15.858 -10.631 3.945 1.00999.99 H new ATOM 0 HD2 ARG A 104 17.606 -12.089 4.400 1.00999.99 H new ATOM 0 HD3 ARG A 104 17.589 -12.257 2.656 1.00999.99 H new ATOM 0 HE ARG A 104 19.287 -10.094 3.053 1.00999.99 H new ATOM 0 HH11 ARG A 104 19.008 -13.370 4.287 1.00999.99 H new ATOM 0 HH12 ARG A 104 20.746 -13.559 4.542 1.00999.99 H new ATOM 0 HH21 ARG A 104 21.516 -10.348 3.394 1.00999.99 H new ATOM 0 HH22 ARG A 104 22.152 -11.864 4.041 1.00999.99 H new ATOM 1627 N MET A 105 13.410 -9.264 0.043 1.00524.37 N ATOM 1628 CA MET A 105 12.941 -9.025 -1.320 1.00431.17 C ATOM 1629 C MET A 105 13.061 -7.545 -1.672 1.00407.85 C ATOM 1630 O MET A 105 12.685 -6.677 -0.883 1.00464.07 O ATOM 1631 CB MET A 105 11.479 -9.466 -1.464 1.00429.46 C ATOM 1632 CG MET A 105 10.822 -9.555 -0.082 1.00433.36 C ATOM 1633 SD MET A 105 9.025 -9.427 -0.254 1.00462.04 S ATOM 1634 CE MET A 105 8.864 -7.726 0.346 1.00376.51 C ATOM 0 H MET A 105 12.857 -8.806 0.767 1.00524.37 H new ATOM 0 HA MET A 105 13.561 -9.607 -2.002 1.00431.17 H new ATOM 0 HB2 MET A 105 10.936 -8.757 -2.089 1.00429.46 H new ATOM 0 HB3 MET A 105 11.430 -10.434 -1.963 1.00429.46 H new ATOM 0 HG2 MET A 105 11.085 -10.498 0.397 1.00433.36 H new ATOM 0 HG3 MET A 105 11.194 -8.757 0.560 1.00433.36 H new ATOM 0 HE1 MET A 105 7.809 -7.461 0.410 1.00376.51 H new ATOM 0 HE2 MET A 105 9.319 -7.644 1.333 1.00376.51 H new ATOM 0 HE3 MET A 105 9.367 -7.048 -0.343 1.00376.51 H new ATOM 1644 N TYR A 106 13.577 -7.268 -2.865 1.00364.44 N ATOM 1645 CA TYR A 106 13.736 -5.893 -3.325 1.00358.43 C ATOM 1646 C TYR A 106 12.537 -5.480 -4.168 1.00265.95 C ATOM 1647 O TYR A 106 12.399 -5.915 -5.311 1.00235.16 O ATOM 1648 CB TYR A 106 15.018 -5.764 -4.155 1.00442.00 C ATOM 1649 CG TYR A 106 15.090 -4.384 -4.769 1.00424.41 C ATOM 1650 CD1 TYR A 106 15.334 -3.269 -3.960 1.00477.50 C ATOM 1651 CD2 TYR A 106 14.912 -4.222 -6.150 1.00432.98 C ATOM 1652 CE1 TYR A 106 15.400 -1.992 -4.529 1.00528.30 C ATOM 1653 CE2 TYR A 106 14.979 -2.945 -6.721 1.00488.69 C ATOM 1654 CZ TYR A 106 15.223 -1.829 -5.909 1.00530.95 C ATOM 1655 OH TYR A 106 15.289 -0.569 -6.467 1.00650.22 O ATOM 0 H TYR A 106 13.891 -7.975 -3.529 1.00364.44 H new ATOM 0 HA TYR A 106 13.803 -5.238 -2.456 1.00358.43 H new ATOM 0 HB2 TYR A 106 15.890 -5.938 -3.525 1.00442.00 H new ATOM 0 HB3 TYR A 106 15.034 -6.522 -4.938 1.00442.00 H new ATOM 0 HD1 TYR A 106 15.471 -3.394 -2.896 1.00477.50 H new ATOM 0 HD2 TYR A 106 14.723 -5.083 -6.774 1.00432.98 H new ATOM 0 HE1 TYR A 106 15.588 -1.132 -3.904 1.00528.30 H new ATOM 0 HE2 TYR A 106 14.843 -2.820 -7.785 1.00488.69 H new ATOM 0 HH TYR A 106 15.621 -0.635 -7.387 1.00650.22 H new ATOM 1665 N CYS A 107 11.676 -4.640 -3.592 1.00251.60 N ATOM 1666 CA CYS A 107 10.484 -4.165 -4.291 1.00194.42 C ATOM 1667 C CYS A 107 10.722 -2.779 -4.880 1.00222.27 C ATOM 1668 O CYS A 107 11.020 -1.829 -4.152 1.00274.03 O ATOM 1669 CB CYS A 107 9.300 -4.110 -3.324 1.00189.73 C ATOM 1670 SG CYS A 107 7.980 -3.096 -4.037 1.00456.20 S ATOM 0 H CYS A 107 11.782 -4.276 -2.645 1.00251.60 H new ATOM 0 HA CYS A 107 10.262 -4.859 -5.102 1.00194.42 H new ATOM 0 HB2 CYS A 107 8.932 -5.117 -3.126 1.00189.73 H new ATOM 0 HB3 CYS A 107 9.617 -3.693 -2.368 1.00189.73 H new ATOM 0 HG CYS A 107 6.974 -3.052 -3.215 1.00456.20 H new ATOM 1676 N SER A 108 10.584 -2.671 -6.200 1.00213.91 N ATOM 1677 CA SER A 108 10.779 -1.396 -6.883 1.00264.92 C ATOM 1678 C SER A 108 10.498 -1.535 -8.380 1.00265.15 C ATOM 1679 O SER A 108 10.393 -2.642 -8.909 1.00243.03 O ATOM 1680 CB SER A 108 12.211 -0.903 -6.666 1.00359.35 C ATOM 1681 OG SER A 108 12.512 0.122 -7.603 1.00573.24 O ATOM 0 H SER A 108 10.339 -3.447 -6.814 1.00213.91 H new ATOM 0 HA SER A 108 10.080 -0.671 -6.466 1.00264.92 H new ATOM 0 HB2 SER A 108 12.326 -0.525 -5.650 1.00359.35 H new ATOM 0 HB3 SER A 108 12.912 -1.730 -6.780 1.00359.35 H new ATOM 0 HG SER A 108 13.477 0.293 -7.602 1.00573.24 H new ATOM 1687 N PHE A 109 10.384 -0.401 -9.061 1.00316.64 N ATOM 1688 CA PHE A 109 10.124 -0.407 -10.495 1.00353.61 C ATOM 1689 C PHE A 109 11.438 -0.529 -11.263 1.00431.44 C ATOM 1690 O PHE A 109 11.542 -0.095 -12.409 1.00523.07 O ATOM 1691 CB PHE A 109 9.400 0.883 -10.900 1.00411.57 C ATOM 1692 CG PHE A 109 10.368 2.046 -10.869 1.00646.95 C ATOM 1693 CD1 PHE A 109 10.700 2.652 -9.651 1.00929.23 C ATOM 1694 CD2 PHE A 109 10.941 2.511 -12.060 1.00999.99 C ATOM 1695 CE1 PHE A 109 11.602 3.723 -9.626 1.00999.99 C ATOM 1696 CE2 PHE A 109 11.843 3.579 -12.034 1.00999.99 C ATOM 1697 CZ PHE A 109 12.173 4.186 -10.817 1.00999.99 C ATOM 0 H PHE A 109 10.467 0.528 -8.647 1.00316.64 H new ATOM 0 HA PHE A 109 9.491 -1.261 -10.737 1.00353.61 H new ATOM 0 HB2 PHE A 109 8.978 0.776 -11.899 1.00411.57 H new ATOM 0 HB3 PHE A 109 8.568 1.072 -10.222 1.00411.57 H new ATOM 0 HD1 PHE A 109 10.261 2.294 -8.732 1.00929.23 H new ATOM 0 HD2 PHE A 109 10.686 2.044 -13.000 1.00999.99 H new ATOM 0 HE1 PHE A 109 11.857 4.192 -8.687 1.00999.99 H new ATOM 0 HE2 PHE A 109 12.285 3.935 -12.953 1.00999.99 H new ATOM 0 HZ PHE A 109 12.869 5.012 -10.797 1.00999.99 H new ATOM 1707 N SER A 110 12.441 -1.126 -10.623 1.00480.75 N ATOM 1708 CA SER A 110 13.744 -1.300 -11.252 1.00580.77 C ATOM 1709 C SER A 110 14.098 -2.779 -11.349 1.00531.40 C ATOM 1710 O SER A 110 14.174 -3.475 -10.336 1.00513.47 O ATOM 1711 CB SER A 110 14.813 -0.572 -10.439 1.00674.57 C ATOM 1712 OG SER A 110 14.579 0.828 -10.502 1.00956.64 O ATOM 0 H SER A 110 12.375 -1.495 -9.674 1.00480.75 H new ATOM 0 HA SER A 110 13.702 -0.882 -12.258 1.00580.77 H new ATOM 0 HB2 SER A 110 14.791 -0.910 -9.403 1.00674.57 H new ATOM 0 HB3 SER A 110 15.804 -0.805 -10.829 1.00674.57 H new ATOM 0 HG SER A 110 15.262 1.298 -9.980 1.00956.64 H new ATOM 1718 N ALA A 111 14.319 -3.243 -12.575 1.00581.09 N ATOM 1719 CA ALA A 111 14.672 -4.639 -12.814 1.00562.85 C ATOM 1720 C ALA A 111 15.878 -5.037 -11.964 1.00604.69 C ATOM 1721 O ALA A 111 16.611 -4.176 -11.475 1.00699.56 O ATOM 1722 CB ALA A 111 14.991 -4.846 -14.296 1.00694.85 C ATOM 0 H ALA A 111 14.260 -2.673 -13.419 1.00581.09 H new ATOM 0 HA ALA A 111 13.826 -5.267 -12.536 1.00562.85 H new ATOM 0 HB1 ALA A 111 15.254 -5.890 -14.469 1.00694.85 H new ATOM 0 HB2 ALA A 111 14.118 -4.587 -14.896 1.00694.85 H new ATOM 0 HB3 ALA A 111 15.828 -4.209 -14.580 1.00694.85 H new ATOM 1728 N PRO A 112 16.089 -6.315 -11.773 1.00595.19 N ATOM 1729 CA PRO A 112 17.227 -6.828 -10.953 1.00699.81 C ATOM 1730 C PRO A 112 18.564 -6.214 -11.367 1.00901.13 C ATOM 1731 O PRO A 112 19.332 -5.751 -10.523 1.00999.99 O ATOM 1732 CB PRO A 112 17.214 -8.337 -11.216 1.00691.48 C ATOM 1733 CG PRO A 112 15.817 -8.659 -11.636 1.00569.20 C ATOM 1734 CD PRO A 112 15.265 -7.408 -12.315 1.00549.69 C ATOM 0 HA PRO A 112 17.116 -6.573 -9.899 1.00699.81 H new ATOM 0 HB2 PRO A 112 17.929 -8.606 -11.994 1.00691.48 H new ATOM 0 HB3 PRO A 112 17.492 -8.893 -10.321 1.00691.48 H new ATOM 0 HG2 PRO A 112 15.804 -9.508 -12.319 1.00569.20 H new ATOM 0 HG3 PRO A 112 15.207 -8.933 -10.775 1.00569.20 H new ATOM 0 HD2 PRO A 112 15.351 -7.472 -13.400 1.00549.69 H new ATOM 0 HD3 PRO A 112 14.209 -7.263 -12.086 1.00549.69 H new ATOM 1742 N ASP A 113 18.826 -6.197 -12.669 1.00972.97 N ATOM 1743 CA ASP A 113 20.066 -5.621 -13.190 1.00999.99 C ATOM 1744 C ASP A 113 20.026 -4.096 -13.096 1.00999.99 C ATOM 1745 O ASP A 113 21.026 -3.442 -12.799 1.00999.99 O ATOM 1746 CB ASP A 113 20.273 -6.057 -14.649 1.00999.99 C ATOM 1747 CG ASP A 113 19.034 -5.754 -15.504 1.00999.99 C ATOM 1748 OD1 ASP A 113 17.988 -5.464 -14.944 1.00999.99 O ATOM 1749 OD2 ASP A 113 19.151 -5.824 -16.717 1.00999.99 O ATOM 0 H ASP A 113 18.201 -6.573 -13.382 1.00972.97 H new ATOM 0 HA ASP A 113 20.901 -5.983 -12.589 1.00999.99 H new ATOM 0 HB2 ASP A 113 21.139 -5.542 -15.065 1.00999.99 H new ATOM 0 HB3 ASP A 113 20.489 -7.125 -14.684 1.00999.99 H new ATOM 1754 N ASP A 114 18.845 -3.562 -13.363 1.00999.99 N ATOM 1755 CA ASP A 114 18.624 -2.120 -13.323 1.00999.99 C ATOM 1756 C ASP A 114 19.627 -1.410 -14.237 1.00999.99 C ATOM 1757 O ASP A 114 19.498 -0.210 -14.420 1.00999.99 O ATOM 1758 CB ASP A 114 18.788 -1.610 -11.884 1.00999.99 C ATOM 1759 CG ASP A 114 18.272 -0.176 -11.752 1.00999.99 C ATOM 1760 OD1 ASP A 114 17.402 0.201 -12.520 1.00999.99 O ATOM 1761 OD2 ASP A 114 18.758 0.526 -10.880 1.00999.99 O ATOM 0 H ASP A 114 18.019 -4.106 -13.611 1.00999.99 H new ATOM 0 HA ASP A 114 17.613 -1.907 -13.670 1.00999.99 H new ATOM 0 HB2 ASP A 114 18.245 -2.261 -11.199 1.00999.99 H new ATOM 0 HB3 ASP A 114 19.839 -1.651 -11.597 1.00999.99 H new