USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=25 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 180:sc= 0 USER MOD Set 1.2: A 108 SER OG : rot 180:sc= 0.00822 USER MOD Set 2.1: A 89 TYR OH : rot -28:sc= 0.00918 USER MOD Set 2.2: A 91 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 68 CYS SG : rot -61:sc= -0.14 USER MOD Set 3.2: A 69 LYS NZ :NH3+ 161:sc= -0.0811 (180deg=-0.576) USER MOD Single : A 18 THR OG1 : rot -38:sc= 0.0283 USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0172) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0254 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 75:sc= 0.223 USER MOD Single : A 37 LYS NZ :NH3+ -128:sc= -1.04 (180deg=-3.45!) USER MOD Single : A 39 CYS SG : rot 180:sc= -2.54! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 141:sc= -4.71! (180deg=-6.62!) USER MOD Single : A 49 THR OG1 : rot -30:sc= -0.871! USER MOD Single : A 63 SER OG : rot -48:sc= 0.175 USER MOD Single : A 64 THR OG1 : rot -105:sc= 0.806 USER MOD Single : A 66 SER OG : rot 180:sc= -0.243 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00043 USER MOD Single : A 77 LYS NZ :NH3+ -147:sc= -0.592 (180deg=-1.37!) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 CYS SG : rot 180:sc= -1.07 USER MOD Single : A 110 SER OG : rot -57:sc= 0.151 USER MOD ----------------------------------------------------------------- ATOM 292 N THR A 18 1.101 -21.203 5.843 1.00 0.00 N ATOM 293 CA THR A 18 1.315 -20.016 5.019 1.00 0.00 C ATOM 294 C THR A 18 2.509 -19.227 5.540 1.00 0.00 C ATOM 295 O THR A 18 2.981 -19.461 6.653 1.00 0.00 O ATOM 296 CB THR A 18 0.067 -19.131 5.044 1.00 0.00 C ATOM 297 OG1 THR A 18 -0.117 -18.611 6.354 1.00 0.00 O ATOM 298 CG2 THR A 18 -1.153 -19.961 4.645 1.00 0.00 C ATOM 0 HA THR A 18 1.513 -20.331 3.994 1.00 0.00 H new ATOM 0 HB THR A 18 0.189 -18.307 4.341 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.118 -19.296 7.014 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.043 -19.332 4.662 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.010 -20.359 3.640 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.278 -20.785 5.347 1.00 0.00 H new ATOM 306 N ARG A 19 2.999 -18.292 4.727 1.00 0.00 N ATOM 307 CA ARG A 19 4.151 -17.472 5.108 1.00 0.00 C ATOM 308 C ARG A 19 3.708 -16.052 5.417 1.00 0.00 C ATOM 309 O ARG A 19 2.785 -15.532 4.794 1.00 0.00 O ATOM 310 CB ARG A 19 5.170 -17.451 3.971 1.00 0.00 C ATOM 311 CG ARG A 19 6.413 -16.685 4.422 1.00 0.00 C ATOM 312 CD ARG A 19 7.509 -16.816 3.361 1.00 0.00 C ATOM 313 NE ARG A 19 7.965 -18.199 3.281 1.00 0.00 N ATOM 314 CZ ARG A 19 8.809 -18.591 2.332 1.00 0.00 C ATOM 315 NH1 ARG A 19 9.245 -17.731 1.453 1.00 0.00 N ATOM 316 NH2 ARG A 19 9.202 -19.835 2.280 1.00 0.00 N ATOM 0 H ARG A 19 2.619 -18.083 3.804 1.00 0.00 H new ATOM 0 HA ARG A 19 4.608 -17.904 5.999 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.438 -18.469 3.689 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.738 -16.979 3.089 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.168 -15.634 4.579 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.767 -17.076 5.376 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.128 -16.494 2.392 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.346 -16.163 3.608 1.00 0.00 H new ATOM 0 HE ARG A 19 7.630 -18.877 3.965 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.938 -16.759 1.495 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.893 -18.031 0.724 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.861 -20.507 2.968 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.850 -20.135 1.551 1.00 0.00 H new ATOM 330 N LYS A 20 4.372 -15.424 6.385 1.00 0.00 N ATOM 331 CA LYS A 20 4.041 -14.055 6.772 1.00 0.00 C ATOM 332 C LYS A 20 5.021 -13.078 6.146 1.00 0.00 C ATOM 333 O LYS A 20 6.226 -13.323 6.121 1.00 0.00 O ATOM 334 CB LYS A 20 4.087 -13.916 8.293 1.00 0.00 C ATOM 335 CG LYS A 20 2.955 -14.735 8.911 1.00 0.00 C ATOM 336 CD LYS A 20 2.984 -14.585 10.432 1.00 0.00 C ATOM 337 CE LYS A 20 1.802 -15.336 11.047 1.00 0.00 C ATOM 338 NZ LYS A 20 2.087 -16.798 11.043 1.00 0.00 N ATOM 0 H LYS A 20 5.139 -15.839 6.914 1.00 0.00 H new ATOM 0 HA LYS A 20 3.036 -13.829 6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.049 -14.261 8.672 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.990 -12.868 8.577 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.994 -14.399 8.521 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.061 -15.785 8.637 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.921 -14.976 10.828 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.938 -13.530 10.704 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.629 -14.991 12.066 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.893 -15.130 10.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.323 -17.302 11.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.148 -17.137 10.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.989 -16.977 11.528 1.00 0.00 H new ATOM 352 N ILE A 21 4.496 -11.965 5.635 1.00 0.00 N ATOM 353 CA ILE A 21 5.336 -10.948 5.002 1.00 0.00 C ATOM 354 C ILE A 21 5.534 -9.772 5.938 1.00 0.00 C ATOM 355 O ILE A 21 4.614 -9.387 6.661 1.00 0.00 O ATOM 356 CB ILE A 21 4.674 -10.465 3.701 1.00 0.00 C ATOM 357 CG1 ILE A 21 5.713 -9.689 2.868 1.00 0.00 C ATOM 358 CG2 ILE A 21 3.458 -9.549 4.020 1.00 0.00 C ATOM 359 CD1 ILE A 21 6.850 -10.604 2.394 1.00 0.00 C ATOM 0 H ILE A 21 3.500 -11.745 5.646 1.00 0.00 H new ATOM 0 HA ILE A 21 6.308 -11.387 4.775 1.00 0.00 H new ATOM 0 HB ILE A 21 4.317 -11.326 3.136 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.225 -9.237 2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.124 -8.875 3.464 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.000 -9.215 3.089 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.726 -10.106 4.605 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.795 -8.683 4.590 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.564 -10.024 1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.354 -11.036 3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.440 -11.403 1.776 1.00 0.00 H new ATOM 371 N LYS A 22 6.739 -9.202 5.914 1.00 0.00 N ATOM 372 CA LYS A 22 7.057 -8.055 6.760 1.00 0.00 C ATOM 373 C LYS A 22 7.881 -7.035 5.984 1.00 0.00 C ATOM 374 O LYS A 22 9.038 -7.285 5.644 1.00 0.00 O ATOM 375 CB LYS A 22 7.835 -8.522 7.990 1.00 0.00 C ATOM 376 CG LYS A 22 7.816 -7.427 9.055 1.00 0.00 C ATOM 377 CD LYS A 22 8.474 -7.947 10.330 1.00 0.00 C ATOM 378 CE LYS A 22 8.409 -6.868 11.408 1.00 0.00 C ATOM 379 NZ LYS A 22 9.004 -7.391 12.670 1.00 0.00 N ATOM 0 H LYS A 22 7.507 -9.515 5.320 1.00 0.00 H new ATOM 0 HA LYS A 22 6.127 -7.584 7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.394 -9.436 8.386 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.863 -8.758 7.715 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.344 -6.544 8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.790 -7.122 9.261 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.968 -8.850 10.672 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.511 -8.218 10.133 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.948 -5.979 11.081 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.374 -6.570 11.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.960 -6.656 13.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.472 -8.227 12.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.996 -7.655 12.503 1.00 0.00 H new ATOM 393 N ILE A 23 7.280 -5.877 5.703 1.00 0.00 N ATOM 394 CA ILE A 23 7.969 -4.824 4.960 1.00 0.00 C ATOM 395 C ILE A 23 8.498 -3.763 5.912 1.00 0.00 C ATOM 396 O ILE A 23 7.747 -3.199 6.708 1.00 0.00 O ATOM 397 CB ILE A 23 7.001 -4.169 3.973 1.00 0.00 C ATOM 398 CG1 ILE A 23 6.284 -5.263 3.163 1.00 0.00 C ATOM 399 CG2 ILE A 23 7.786 -3.260 3.018 1.00 0.00 C ATOM 400 CD1 ILE A 23 5.207 -5.976 4.014 1.00 0.00 C ATOM 0 H ILE A 23 6.325 -5.647 5.977 1.00 0.00 H new ATOM 0 HA ILE A 23 8.804 -5.271 4.420 1.00 0.00 H new ATOM 0 HB ILE A 23 6.266 -3.577 4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.820 -4.821 2.281 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.012 -5.992 2.808 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.098 -2.792 2.314 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.300 -2.488 3.591 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.518 -3.853 2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.718 -6.743 3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.677 -6.439 4.882 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.466 -5.249 4.347 1.00 0.00 H new ATOM 412 N THR A 24 9.792 -3.493 5.824 1.00 0.00 N ATOM 413 CA THR A 24 10.412 -2.494 6.682 1.00 0.00 C ATOM 414 C THR A 24 11.814 -2.165 6.192 1.00 0.00 C ATOM 415 O THR A 24 12.774 -2.871 6.508 1.00 0.00 O ATOM 416 CB THR A 24 10.481 -3.012 8.123 1.00 0.00 C ATOM 417 OG1 THR A 24 11.501 -2.314 8.825 1.00 0.00 O ATOM 418 CG2 THR A 24 10.794 -4.509 8.115 1.00 0.00 C ATOM 0 H THR A 24 10.430 -3.948 5.171 1.00 0.00 H new ATOM 0 HA THR A 24 9.806 -1.589 6.650 1.00 0.00 H new ATOM 0 HB THR A 24 9.523 -2.848 8.616 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.547 -2.642 9.747 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.843 -4.876 9.140 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.011 -5.042 7.576 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.752 -4.678 7.623 1.00 0.00 H new ATOM 426 N PHE A 25 11.932 -1.088 5.420 1.00 0.00 N ATOM 427 CA PHE A 25 13.230 -0.676 4.895 1.00 0.00 C ATOM 428 C PHE A 25 13.259 0.835 4.688 1.00 0.00 C ATOM 429 O PHE A 25 12.320 1.414 4.144 1.00 0.00 O ATOM 430 CB PHE A 25 13.511 -1.396 3.565 1.00 0.00 C ATOM 431 CG PHE A 25 15.002 -1.423 3.305 1.00 0.00 C ATOM 432 CD1 PHE A 25 15.841 -2.154 4.153 1.00 0.00 C ATOM 433 CD2 PHE A 25 15.548 -0.717 2.226 1.00 0.00 C ATOM 434 CE1 PHE A 25 17.221 -2.178 3.925 1.00 0.00 C ATOM 435 CE2 PHE A 25 16.926 -0.741 1.998 1.00 0.00 C ATOM 436 CZ PHE A 25 17.765 -1.471 2.848 1.00 0.00 C ATOM 0 H PHE A 25 11.152 -0.490 5.146 1.00 0.00 H new ATOM 0 HA PHE A 25 14.003 -0.946 5.615 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.120 -2.413 3.601 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.999 -0.886 2.749 1.00 0.00 H new ATOM 0 HD1 PHE A 25 15.423 -2.701 4.985 1.00 0.00 H new ATOM 0 HD2 PHE A 25 14.903 -0.153 1.569 1.00 0.00 H new ATOM 0 HE1 PHE A 25 17.867 -2.743 4.581 1.00 0.00 H new ATOM 0 HE2 PHE A 25 17.344 -0.196 1.165 1.00 0.00 H new ATOM 0 HZ PHE A 25 18.830 -1.488 2.672 1.00 0.00 H new ATOM 446 N ALA A 26 14.339 1.466 5.133 1.00 0.00 N ATOM 447 CA ALA A 26 14.473 2.911 4.997 1.00 0.00 C ATOM 448 C ALA A 26 14.412 3.322 3.536 1.00 0.00 C ATOM 449 O ALA A 26 15.334 3.049 2.764 1.00 0.00 O ATOM 450 CB ALA A 26 15.806 3.369 5.587 1.00 0.00 C ATOM 0 H ALA A 26 15.128 1.005 5.587 1.00 0.00 H new ATOM 0 HA ALA A 26 13.649 3.380 5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.898 4.450 5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.847 3.103 6.643 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.625 2.881 5.058 1.00 0.00 H new ATOM 456 N LEU A 27 13.317 3.984 3.157 1.00 0.00 N ATOM 457 CA LEU A 27 13.132 4.436 1.775 1.00 0.00 C ATOM 458 C LEU A 27 12.787 5.920 1.744 1.00 0.00 C ATOM 459 O LEU A 27 13.570 6.738 1.266 1.00 0.00 O ATOM 460 CB LEU A 27 12.013 3.602 1.093 1.00 0.00 C ATOM 461 CG LEU A 27 12.596 2.813 -0.092 1.00 0.00 C ATOM 462 CD1 LEU A 27 13.182 3.800 -1.144 1.00 0.00 C ATOM 463 CD2 LEU A 27 13.692 1.845 0.434 1.00 0.00 C ATOM 0 H LEU A 27 12.547 4.219 3.784 1.00 0.00 H new ATOM 0 HA LEU A 27 14.063 4.290 1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 27 11.568 2.916 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.217 4.261 0.746 1.00 0.00 H new ATOM 0 HG LEU A 27 11.813 2.229 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.594 3.237 -1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.392 4.460 -1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.971 4.396 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 27 14.111 1.282 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.483 2.419 0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.253 1.155 1.154 1.00 0.00 H new ATOM 475 N ASP A 28 11.612 6.256 2.254 1.00 0.00 N ATOM 476 CA ASP A 28 11.165 7.642 2.274 1.00 0.00 C ATOM 477 C ASP A 28 10.237 7.883 3.453 1.00 0.00 C ATOM 478 O ASP A 28 9.726 6.943 4.060 1.00 0.00 O ATOM 479 CB ASP A 28 10.437 7.977 0.967 1.00 0.00 C ATOM 480 CG ASP A 28 11.427 8.013 -0.191 1.00 0.00 C ATOM 481 OD1 ASP A 28 12.545 8.454 0.022 1.00 0.00 O ATOM 482 OD2 ASP A 28 11.054 7.601 -1.277 1.00 0.00 O ATOM 0 H ASP A 28 10.952 5.591 2.658 1.00 0.00 H new ATOM 0 HA ASP A 28 12.038 8.286 2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.664 7.234 0.772 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.936 8.941 1.058 1.00 0.00 H new ATOM 487 N ALA A 29 10.031 9.153 3.781 1.00 0.00 N ATOM 488 CA ALA A 29 9.168 9.509 4.899 1.00 0.00 C ATOM 489 C ALA A 29 7.759 8.959 4.697 1.00 0.00 C ATOM 490 O ALA A 29 7.281 8.135 5.482 1.00 0.00 O ATOM 491 CB ALA A 29 9.101 11.030 5.037 1.00 0.00 C ATOM 0 H ALA A 29 10.446 9.947 3.293 1.00 0.00 H new ATOM 0 HA ALA A 29 9.587 9.072 5.805 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.454 11.291 5.875 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.102 11.424 5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.699 11.461 4.120 1.00 0.00 H new ATOM 497 N THR A 30 7.095 9.419 3.641 1.00 0.00 N ATOM 498 CA THR A 30 5.739 8.964 3.360 1.00 0.00 C ATOM 499 C THR A 30 5.714 7.459 3.132 1.00 0.00 C ATOM 500 O THR A 30 5.013 6.733 3.826 1.00 0.00 O ATOM 501 CB THR A 30 5.203 9.674 2.114 1.00 0.00 C ATOM 502 OG1 THR A 30 5.057 11.060 2.387 1.00 0.00 O ATOM 503 CG2 THR A 30 3.849 9.078 1.716 1.00 0.00 C ATOM 0 H THR A 30 7.467 10.096 2.975 1.00 0.00 H new ATOM 0 HA THR A 30 5.111 9.201 4.219 1.00 0.00 H new ATOM 0 HB THR A 30 5.905 9.538 1.291 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.716 11.516 1.590 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.474 9.588 0.829 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.968 8.016 1.501 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.141 9.205 2.535 1.00 0.00 H new ATOM 511 N PHE A 31 6.472 6.996 2.142 1.00 0.00 N ATOM 512 CA PHE A 31 6.503 5.573 1.825 1.00 0.00 C ATOM 513 C PHE A 31 6.567 4.745 3.104 1.00 0.00 C ATOM 514 O PHE A 31 5.848 3.754 3.251 1.00 0.00 O ATOM 515 CB PHE A 31 7.726 5.272 0.957 1.00 0.00 C ATOM 516 CG PHE A 31 7.610 3.883 0.378 1.00 0.00 C ATOM 517 CD1 PHE A 31 6.595 3.597 -0.545 1.00 0.00 C ATOM 518 CD2 PHE A 31 8.514 2.882 0.755 1.00 0.00 C ATOM 519 CE1 PHE A 31 6.485 2.311 -1.086 1.00 0.00 C ATOM 520 CE2 PHE A 31 8.404 1.596 0.213 1.00 0.00 C ATOM 521 CZ PHE A 31 7.391 1.310 -0.707 1.00 0.00 C ATOM 0 H PHE A 31 7.066 7.578 1.552 1.00 0.00 H new ATOM 0 HA PHE A 31 5.594 5.311 1.283 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.804 6.006 0.155 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.635 5.353 1.552 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.898 4.368 -0.839 1.00 0.00 H new ATOM 0 HD2 PHE A 31 9.297 3.103 1.465 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.702 2.089 -1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.101 0.825 0.505 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.306 0.318 -1.126 1.00 0.00 H new ATOM 531 N ASP A 32 7.419 5.161 4.033 1.00 0.00 N ATOM 532 CA ASP A 32 7.559 4.456 5.299 1.00 0.00 C ATOM 533 C ASP A 32 6.237 4.483 6.066 1.00 0.00 C ATOM 534 O ASP A 32 5.768 3.452 6.555 1.00 0.00 O ATOM 535 CB ASP A 32 8.653 5.115 6.140 1.00 0.00 C ATOM 536 CG ASP A 32 8.816 4.367 7.457 1.00 0.00 C ATOM 537 OD1 ASP A 32 8.035 3.461 7.702 1.00 0.00 O ATOM 538 OD2 ASP A 32 9.716 4.711 8.204 1.00 0.00 O ATOM 0 H ASP A 32 8.020 5.979 3.934 1.00 0.00 H new ATOM 0 HA ASP A 32 7.832 3.420 5.097 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.595 5.114 5.592 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.398 6.157 6.333 1.00 0.00 H new ATOM 543 N SER A 33 5.638 5.668 6.163 1.00 0.00 N ATOM 544 CA SER A 33 4.371 5.817 6.870 1.00 0.00 C ATOM 545 C SER A 33 3.282 4.982 6.204 1.00 0.00 C ATOM 546 O SER A 33 2.454 4.367 6.877 1.00 0.00 O ATOM 547 CB SER A 33 3.948 7.286 6.894 1.00 0.00 C ATOM 548 OG SER A 33 2.583 7.375 7.278 1.00 0.00 O ATOM 0 H SER A 33 6.007 6.531 5.764 1.00 0.00 H new ATOM 0 HA SER A 33 4.509 5.466 7.893 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.571 7.845 7.592 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.091 7.734 5.911 1.00 0.00 H new ATOM 0 HG SER A 33 2.309 8.316 7.296 1.00 0.00 H new ATOM 554 N VAL A 34 3.291 4.965 4.876 1.00 0.00 N ATOM 555 CA VAL A 34 2.300 4.207 4.122 1.00 0.00 C ATOM 556 C VAL A 34 2.393 2.729 4.471 1.00 0.00 C ATOM 557 O VAL A 34 1.380 2.078 4.689 1.00 0.00 O ATOM 558 CB VAL A 34 2.527 4.397 2.619 1.00 0.00 C ATOM 559 CG1 VAL A 34 1.560 3.502 1.836 1.00 0.00 C ATOM 560 CG2 VAL A 34 2.281 5.861 2.247 1.00 0.00 C ATOM 0 H VAL A 34 3.970 5.465 4.302 1.00 0.00 H new ATOM 0 HA VAL A 34 1.307 4.573 4.384 1.00 0.00 H new ATOM 0 HB VAL A 34 3.553 4.126 2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.723 3.638 0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.735 2.459 2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.533 3.771 2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.442 5.997 1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.255 6.132 2.496 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.970 6.498 2.802 1.00 0.00 H new ATOM 570 N LEU A 35 3.613 2.206 4.519 1.00 0.00 N ATOM 571 CA LEU A 35 3.816 0.798 4.847 1.00 0.00 C ATOM 572 C LEU A 35 3.334 0.497 6.256 1.00 0.00 C ATOM 573 O LEU A 35 2.692 -0.522 6.499 1.00 0.00 O ATOM 574 CB LEU A 35 5.299 0.447 4.726 1.00 0.00 C ATOM 575 CG LEU A 35 5.721 0.479 3.247 1.00 0.00 C ATOM 576 CD1 LEU A 35 7.250 0.399 3.156 1.00 0.00 C ATOM 577 CD2 LEU A 35 5.085 -0.699 2.470 1.00 0.00 C ATOM 0 H LEU A 35 4.470 2.729 4.337 1.00 0.00 H new ATOM 0 HA LEU A 35 3.239 0.195 4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.898 1.154 5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.484 -0.542 5.145 1.00 0.00 H new ATOM 0 HG LEU A 35 5.373 1.410 2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.554 0.421 2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.691 1.247 3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.594 -0.529 3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.397 -0.657 1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.411 -1.642 2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.999 -0.628 2.527 1.00 0.00 H new ATOM 589 N SER A 36 3.652 1.389 7.183 1.00 0.00 N ATOM 590 CA SER A 36 3.242 1.206 8.570 1.00 0.00 C ATOM 591 C SER A 36 1.722 1.183 8.688 1.00 0.00 C ATOM 592 O SER A 36 1.161 0.397 9.451 1.00 0.00 O ATOM 593 CB SER A 36 3.805 2.331 9.430 1.00 0.00 C ATOM 594 OG SER A 36 5.224 2.289 9.385 1.00 0.00 O ATOM 0 H SER A 36 4.187 2.239 7.004 1.00 0.00 H new ATOM 0 HA SER A 36 3.632 0.250 8.919 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.446 3.295 9.069 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.459 2.227 10.458 1.00 0.00 H new ATOM 0 HG SER A 36 5.534 2.635 8.522 1.00 0.00 H new ATOM 600 N LYS A 37 1.061 2.056 7.938 1.00 0.00 N ATOM 601 CA LYS A 37 -0.397 2.135 7.970 1.00 0.00 C ATOM 602 C LYS A 37 -1.020 1.122 7.021 1.00 0.00 C ATOM 603 O LYS A 37 -2.211 0.830 7.108 1.00 0.00 O ATOM 604 CB LYS A 37 -0.846 3.538 7.577 1.00 0.00 C ATOM 605 CG LYS A 37 -0.386 4.531 8.645 1.00 0.00 C ATOM 606 CD LYS A 37 -0.804 5.954 8.234 1.00 0.00 C ATOM 607 CE LYS A 37 -2.307 6.176 8.485 1.00 0.00 C ATOM 608 NZ LYS A 37 -3.081 5.670 7.317 1.00 0.00 N ATOM 0 H LYS A 37 1.507 2.717 7.302 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.727 1.910 8.984 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.427 3.808 6.608 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.931 3.571 7.476 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.826 4.275 9.609 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.696 4.478 8.764 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.225 6.685 8.798 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.579 6.114 7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.616 5.658 9.393 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.509 7.236 8.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.728 6.412 6.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.426 5.411 6.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.630 4.833 7.600 1.00 0.00 H new ATOM 622 N ALA A 38 -0.211 0.594 6.108 1.00 0.00 N ATOM 623 CA ALA A 38 -0.694 -0.384 5.133 1.00 0.00 C ATOM 624 C ALA A 38 -0.465 -1.798 5.636 1.00 0.00 C ATOM 625 O ALA A 38 -0.389 -2.739 4.847 1.00 0.00 O ATOM 626 CB ALA A 38 0.027 -0.205 3.801 1.00 0.00 C ATOM 0 H ALA A 38 0.779 0.824 6.021 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.763 -0.221 4.994 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.343 -0.940 3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.158 0.799 3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.098 -0.346 3.945 1.00 0.00 H new ATOM 632 N CYS A 39 -0.360 -1.938 6.949 1.00 0.00 N ATOM 633 CA CYS A 39 -0.151 -3.247 7.561 1.00 0.00 C ATOM 634 C CYS A 39 1.289 -3.709 7.372 1.00 0.00 C ATOM 635 O CYS A 39 1.663 -4.188 6.301 1.00 0.00 O ATOM 636 CB CYS A 39 -1.120 -4.279 6.958 1.00 0.00 C ATOM 637 SG CYS A 39 -2.693 -3.474 6.569 1.00 0.00 S ATOM 0 H CYS A 39 -0.416 -1.165 7.612 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.347 -3.159 8.630 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.689 -4.715 6.056 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.282 -5.096 7.661 1.00 0.00 H new ATOM 0 HG CYS A 39 -3.511 -4.345 6.057 1.00 0.00 H new ATOM 643 N SER A 40 2.095 -3.565 8.418 1.00 0.00 N ATOM 644 CA SER A 40 3.492 -3.976 8.350 1.00 0.00 C ATOM 645 C SER A 40 3.599 -5.479 8.156 1.00 0.00 C ATOM 646 O SER A 40 4.508 -5.959 7.479 1.00 0.00 O ATOM 647 CB SER A 40 4.221 -3.574 9.627 1.00 0.00 C ATOM 648 OG SER A 40 3.585 -4.186 10.741 1.00 0.00 O ATOM 0 H SER A 40 1.809 -3.171 9.314 1.00 0.00 H new ATOM 0 HA SER A 40 3.953 -3.476 7.498 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.266 -3.881 9.576 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.213 -2.490 9.739 1.00 0.00 H new ATOM 0 HG SER A 40 4.052 -3.932 11.564 1.00 0.00 H new ATOM 654 N GLU A 41 2.669 -6.223 8.758 1.00 0.00 N ATOM 655 CA GLU A 41 2.672 -7.684 8.650 1.00 0.00 C ATOM 656 C GLU A 41 1.387 -8.177 8.009 1.00 0.00 C ATOM 657 O GLU A 41 0.292 -7.776 8.407 1.00 0.00 O ATOM 658 CB GLU A 41 2.818 -8.310 10.035 1.00 0.00 C ATOM 659 CG GLU A 41 4.208 -7.989 10.583 1.00 0.00 C ATOM 660 CD GLU A 41 4.347 -8.530 12.000 1.00 0.00 C ATOM 661 OE1 GLU A 41 3.378 -9.077 12.500 1.00 0.00 O ATOM 662 OE2 GLU A 41 5.421 -8.393 12.563 1.00 0.00 O ATOM 0 H GLU A 41 1.909 -5.842 9.322 1.00 0.00 H new ATOM 0 HA GLU A 41 3.515 -7.978 8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.051 -7.923 10.706 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.676 -9.389 9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.971 -8.428 9.941 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.370 -6.911 10.579 1.00 0.00 H new ATOM 669 N PHE A 42 1.522 -9.053 7.009 1.00 0.00 N ATOM 670 CA PHE A 42 0.338 -9.588 6.326 1.00 0.00 C ATOM 671 C PHE A 42 0.560 -11.047 5.908 1.00 0.00 C ATOM 672 O PHE A 42 1.517 -11.376 5.207 1.00 0.00 O ATOM 673 CB PHE A 42 0.018 -8.722 5.087 1.00 0.00 C ATOM 674 CG PHE A 42 -1.481 -8.688 4.838 1.00 0.00 C ATOM 675 CD1 PHE A 42 -2.182 -9.876 4.611 1.00 0.00 C ATOM 676 CD2 PHE A 42 -2.169 -7.468 4.856 1.00 0.00 C ATOM 677 CE1 PHE A 42 -3.561 -9.847 4.397 1.00 0.00 C ATOM 678 CE2 PHE A 42 -3.551 -7.439 4.645 1.00 0.00 C ATOM 679 CZ PHE A 42 -4.248 -8.628 4.415 1.00 0.00 C ATOM 0 H PHE A 42 2.415 -9.401 6.660 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.505 -9.558 7.016 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.391 -7.709 5.237 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.529 -9.124 4.212 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.655 -10.819 4.601 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.631 -6.548 5.033 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.098 -10.766 4.217 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.080 -6.497 4.660 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.315 -8.606 4.251 1.00 0.00 H new ATOM 689 N GLU A 43 -0.333 -11.920 6.339 1.00 0.00 N ATOM 690 CA GLU A 43 -0.219 -13.328 5.992 1.00 0.00 C ATOM 691 C GLU A 43 -0.357 -13.520 4.483 1.00 0.00 C ATOM 692 O GLU A 43 -1.240 -12.945 3.850 1.00 0.00 O ATOM 693 CB GLU A 43 -1.304 -14.133 6.709 1.00 0.00 C ATOM 694 CG GLU A 43 -2.650 -13.390 6.622 1.00 0.00 C ATOM 695 CD GLU A 43 -2.767 -12.368 7.749 1.00 0.00 C ATOM 696 OE1 GLU A 43 -2.558 -12.747 8.889 1.00 0.00 O ATOM 697 OE2 GLU A 43 -3.056 -11.220 7.456 1.00 0.00 O ATOM 0 H GLU A 43 -1.136 -11.685 6.923 1.00 0.00 H new ATOM 0 HA GLU A 43 0.763 -13.681 6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.394 -15.121 6.258 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.028 -14.283 7.753 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.734 -12.889 5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.471 -14.104 6.683 1.00 0.00 H new ATOM 704 N VAL A 44 0.509 -14.348 3.912 1.00 0.00 N ATOM 705 CA VAL A 44 0.462 -14.618 2.475 1.00 0.00 C ATOM 706 C VAL A 44 0.779 -16.084 2.194 1.00 0.00 C ATOM 707 O VAL A 44 1.724 -16.644 2.750 1.00 0.00 O ATOM 708 CB VAL A 44 1.468 -13.719 1.748 1.00 0.00 C ATOM 709 CG1 VAL A 44 2.843 -13.847 2.410 1.00 0.00 C ATOM 710 CG2 VAL A 44 1.564 -14.131 0.270 1.00 0.00 C ATOM 0 H VAL A 44 1.247 -14.842 4.414 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.543 -14.405 2.112 1.00 0.00 H new ATOM 0 HB VAL A 44 1.133 -12.684 1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.557 -13.207 1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.774 -13.542 3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.178 -14.883 2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.281 -13.488 -0.241 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.894 -15.168 0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.586 -14.030 -0.200 1.00 0.00 H new ATOM 720 N ASP A 45 -0.023 -16.699 1.331 1.00 0.00 N ATOM 721 CA ASP A 45 0.181 -18.098 0.984 1.00 0.00 C ATOM 722 C ASP A 45 1.555 -18.291 0.349 1.00 0.00 C ATOM 723 O ASP A 45 2.197 -17.328 -0.066 1.00 0.00 O ATOM 724 CB ASP A 45 -0.903 -18.558 0.009 1.00 0.00 C ATOM 725 CG ASP A 45 -0.834 -20.072 -0.165 1.00 0.00 C ATOM 726 OD1 ASP A 45 -0.229 -20.719 0.674 1.00 0.00 O ATOM 727 OD2 ASP A 45 -1.389 -20.562 -1.135 1.00 0.00 O ATOM 0 H ASP A 45 -0.813 -16.254 0.863 1.00 0.00 H new ATOM 0 HA ASP A 45 0.124 -18.694 1.895 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.886 -18.270 0.382 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.771 -18.066 -0.954 1.00 0.00 H new ATOM 732 N LYS A 46 1.992 -19.540 0.271 1.00 0.00 N ATOM 733 CA LYS A 46 3.289 -19.862 -0.334 1.00 0.00 C ATOM 734 C LYS A 46 3.134 -20.221 -1.807 1.00 0.00 C ATOM 735 O LYS A 46 4.121 -20.325 -2.536 1.00 0.00 O ATOM 736 CB LYS A 46 3.930 -21.030 0.408 1.00 0.00 C ATOM 737 CG LYS A 46 4.336 -20.574 1.808 1.00 0.00 C ATOM 738 CD LYS A 46 4.917 -21.759 2.578 1.00 0.00 C ATOM 739 CE LYS A 46 5.344 -21.305 3.977 1.00 0.00 C ATOM 740 NZ LYS A 46 6.616 -20.532 3.880 1.00 0.00 N ATOM 0 H LYS A 46 1.474 -20.348 0.616 1.00 0.00 H new ATOM 0 HA LYS A 46 3.926 -18.981 -0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.230 -21.863 0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.803 -21.388 -0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.072 -19.773 1.742 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.472 -20.171 2.336 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.176 -22.555 2.654 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.772 -22.170 2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.564 -20.689 4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.480 -22.170 4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.586 -19.730 4.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.417 -21.150 4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.733 -20.176 2.910 1.00 0.00 H new ATOM 754 N ASP A 47 1.892 -20.420 -2.244 1.00 0.00 N ATOM 755 CA ASP A 47 1.624 -20.786 -3.633 1.00 0.00 C ATOM 756 C ASP A 47 1.431 -19.547 -4.494 1.00 0.00 C ATOM 757 O ASP A 47 0.985 -19.639 -5.639 1.00 0.00 O ATOM 758 CB ASP A 47 0.367 -21.656 -3.707 1.00 0.00 C ATOM 759 CG ASP A 47 0.576 -22.936 -2.907 1.00 0.00 C ATOM 760 OD1 ASP A 47 1.723 -23.305 -2.705 1.00 0.00 O ATOM 761 OD2 ASP A 47 -0.410 -23.528 -2.502 1.00 0.00 O ATOM 0 H ASP A 47 1.060 -20.335 -1.660 1.00 0.00 H new ATOM 0 HA ASP A 47 2.482 -21.343 -4.010 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.489 -21.107 -3.315 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.142 -21.898 -4.746 1.00 0.00 H new ATOM 766 N VAL A 48 1.768 -18.384 -3.942 1.00 0.00 N ATOM 767 CA VAL A 48 1.628 -17.125 -4.672 1.00 0.00 C ATOM 768 C VAL A 48 2.932 -16.340 -4.617 1.00 0.00 C ATOM 769 O VAL A 48 3.715 -16.483 -3.677 1.00 0.00 O ATOM 770 CB VAL A 48 0.508 -16.287 -4.054 1.00 0.00 C ATOM 771 CG1 VAL A 48 -0.776 -17.117 -3.998 1.00 0.00 C ATOM 772 CG2 VAL A 48 0.901 -15.854 -2.639 1.00 0.00 C ATOM 0 H VAL A 48 2.138 -18.286 -2.997 1.00 0.00 H new ATOM 0 HA VAL A 48 1.385 -17.349 -5.711 1.00 0.00 H new ATOM 0 HB VAL A 48 0.343 -15.400 -4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.575 -16.521 -3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.060 -17.416 -5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.609 -18.006 -3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.099 -15.257 -2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.071 -16.737 -2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.813 -15.259 -2.681 1.00 0.00 H new ATOM 782 N THR A 49 3.158 -15.508 -5.629 1.00 0.00 N ATOM 783 CA THR A 49 4.371 -14.697 -5.697 1.00 0.00 C ATOM 784 C THR A 49 4.082 -13.280 -5.215 1.00 0.00 C ATOM 785 O THR A 49 3.092 -13.037 -4.526 1.00 0.00 O ATOM 786 CB THR A 49 4.895 -14.662 -7.139 1.00 0.00 C ATOM 787 OG1 THR A 49 3.957 -13.989 -7.968 1.00 0.00 O ATOM 788 CG2 THR A 49 5.094 -16.093 -7.646 1.00 0.00 C ATOM 0 H THR A 49 2.519 -15.377 -6.413 1.00 0.00 H new ATOM 0 HA THR A 49 5.129 -15.141 -5.052 1.00 0.00 H new ATOM 0 HB THR A 49 5.848 -14.133 -7.167 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.053 -14.122 -7.614 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.466 -16.068 -8.670 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.815 -16.607 -7.011 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.143 -16.624 -7.619 1.00 0.00 H new ATOM 796 N LEU A 50 4.946 -12.353 -5.594 1.00 0.00 N ATOM 797 CA LEU A 50 4.779 -10.959 -5.209 1.00 0.00 C ATOM 798 C LEU A 50 3.491 -10.390 -5.800 1.00 0.00 C ATOM 799 O LEU A 50 3.023 -9.333 -5.384 1.00 0.00 O ATOM 800 CB LEU A 50 5.979 -10.128 -5.701 1.00 0.00 C ATOM 801 CG LEU A 50 5.966 -10.005 -7.242 1.00 0.00 C ATOM 802 CD1 LEU A 50 7.113 -9.106 -7.693 1.00 0.00 C ATOM 803 CD2 LEU A 50 6.123 -11.395 -7.883 1.00 0.00 C ATOM 0 H LEU A 50 5.769 -12.539 -6.167 1.00 0.00 H new ATOM 0 HA LEU A 50 4.723 -10.908 -4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.948 -9.135 -5.252 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.909 -10.596 -5.377 1.00 0.00 H new ATOM 0 HG LEU A 50 5.016 -9.572 -7.555 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.103 -9.020 -8.780 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.996 -8.117 -7.250 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.061 -9.537 -7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.113 -11.298 -8.969 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.068 -11.837 -7.567 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.300 -12.036 -7.568 1.00 0.00 H new ATOM 815 N ASP A 51 2.932 -11.088 -6.784 1.00 0.00 N ATOM 816 CA ASP A 51 1.708 -10.624 -7.433 1.00 0.00 C ATOM 817 C ASP A 51 0.573 -10.505 -6.417 1.00 0.00 C ATOM 818 O ASP A 51 -0.073 -9.453 -6.291 1.00 0.00 O ATOM 819 CB ASP A 51 1.312 -11.606 -8.538 1.00 0.00 C ATOM 820 CG ASP A 51 1.226 -13.022 -7.975 1.00 0.00 C ATOM 821 OD1 ASP A 51 1.822 -13.262 -6.938 1.00 0.00 O ATOM 822 OD2 ASP A 51 0.566 -13.846 -8.589 1.00 0.00 O ATOM 0 H ASP A 51 3.301 -11.967 -7.147 1.00 0.00 H new ATOM 0 HA ASP A 51 1.891 -9.640 -7.865 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.352 -11.317 -8.965 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.043 -11.571 -9.346 1.00 0.00 H new ATOM 827 N GLU A 52 0.342 -11.585 -5.687 1.00 0.00 N ATOM 828 CA GLU A 52 -0.709 -11.591 -4.685 1.00 0.00 C ATOM 829 C GLU A 52 -0.392 -10.587 -3.591 1.00 0.00 C ATOM 830 O GLU A 52 -1.278 -9.884 -3.108 1.00 0.00 O ATOM 831 CB GLU A 52 -0.856 -12.990 -4.081 1.00 0.00 C ATOM 832 CG GLU A 52 -1.870 -12.965 -2.922 1.00 0.00 C ATOM 833 CD GLU A 52 -1.205 -12.507 -1.624 1.00 0.00 C ATOM 834 OE1 GLU A 52 -0.001 -12.319 -1.626 1.00 0.00 O ATOM 835 OE2 GLU A 52 -1.916 -12.347 -0.645 1.00 0.00 O ATOM 0 H GLU A 52 0.862 -12.459 -5.769 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.648 -11.312 -5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.185 -13.692 -4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.111 -13.342 -3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.694 -12.295 -3.169 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.297 -13.959 -2.786 1.00 0.00 H new ATOM 842 N LEU A 53 0.874 -10.521 -3.209 1.00 0.00 N ATOM 843 CA LEU A 53 1.278 -9.593 -2.168 1.00 0.00 C ATOM 844 C LEU A 53 0.994 -8.163 -2.603 1.00 0.00 C ATOM 845 O LEU A 53 0.475 -7.361 -1.836 1.00 0.00 O ATOM 846 CB LEU A 53 2.775 -9.758 -1.869 1.00 0.00 C ATOM 847 CG LEU A 53 3.228 -8.746 -0.802 1.00 0.00 C ATOM 848 CD1 LEU A 53 2.560 -9.055 0.543 1.00 0.00 C ATOM 849 CD2 LEU A 53 4.752 -8.820 -0.648 1.00 0.00 C ATOM 0 H LEU A 53 1.627 -11.089 -3.597 1.00 0.00 H new ATOM 0 HA LEU A 53 0.708 -9.809 -1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.973 -10.773 -1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.352 -9.614 -2.783 1.00 0.00 H new ATOM 0 HG LEU A 53 2.937 -7.744 -1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.890 -8.331 1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.477 -8.995 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.837 -10.059 0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.077 -8.104 0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.038 -9.826 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.226 -8.582 -1.600 1.00 0.00 H new ATOM 861 N LEU A 54 1.359 -7.845 -3.832 1.00 0.00 N ATOM 862 CA LEU A 54 1.164 -6.495 -4.336 1.00 0.00 C ATOM 863 C LEU A 54 -0.307 -6.123 -4.214 1.00 0.00 C ATOM 864 O LEU A 54 -0.652 -5.020 -3.790 1.00 0.00 O ATOM 865 CB LEU A 54 1.611 -6.427 -5.809 1.00 0.00 C ATOM 866 CG LEU A 54 2.077 -5.007 -6.163 1.00 0.00 C ATOM 867 CD1 LEU A 54 2.528 -4.968 -7.624 1.00 0.00 C ATOM 868 CD2 LEU A 54 0.935 -4.004 -5.938 1.00 0.00 C ATOM 0 H LEU A 54 1.787 -8.493 -4.493 1.00 0.00 H new ATOM 0 HA LEU A 54 1.760 -5.792 -3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.420 -7.136 -5.983 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.786 -6.719 -6.460 1.00 0.00 H new ATOM 0 HG LEU A 54 2.913 -4.733 -5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.859 -3.960 -7.876 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.351 -5.667 -7.769 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.696 -5.248 -8.269 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.277 -3.001 -6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.088 -4.270 -6.570 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.629 -4.029 -4.892 1.00 0.00 H new ATOM 880 N ASP A 55 -1.177 -7.053 -4.580 1.00 0.00 N ATOM 881 CA ASP A 55 -2.608 -6.791 -4.495 1.00 0.00 C ATOM 882 C ASP A 55 -3.027 -6.514 -3.051 1.00 0.00 C ATOM 883 O ASP A 55 -3.732 -5.542 -2.776 1.00 0.00 O ATOM 884 CB ASP A 55 -3.383 -7.991 -5.026 1.00 0.00 C ATOM 885 CG ASP A 55 -3.216 -8.089 -6.539 1.00 0.00 C ATOM 886 OD1 ASP A 55 -2.745 -7.130 -7.126 1.00 0.00 O ATOM 887 OD2 ASP A 55 -3.557 -9.125 -7.086 1.00 0.00 O ATOM 0 H ASP A 55 -0.926 -7.977 -4.932 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.831 -5.910 -5.097 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.025 -8.905 -4.552 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.439 -7.894 -4.774 1.00 0.00 H new ATOM 892 N VAL A 56 -2.602 -7.381 -2.139 1.00 0.00 N ATOM 893 CA VAL A 56 -2.954 -7.234 -0.732 1.00 0.00 C ATOM 894 C VAL A 56 -2.393 -5.930 -0.178 1.00 0.00 C ATOM 895 O VAL A 56 -3.076 -5.202 0.547 1.00 0.00 O ATOM 896 CB VAL A 56 -2.407 -8.419 0.071 1.00 0.00 C ATOM 897 CG1 VAL A 56 -2.618 -8.173 1.571 1.00 0.00 C ATOM 898 CG2 VAL A 56 -3.135 -9.708 -0.338 1.00 0.00 C ATOM 0 H VAL A 56 -2.016 -8.189 -2.347 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.040 -7.213 -0.645 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.342 -8.523 -0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.227 -9.019 2.137 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.094 -7.264 1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.683 -8.061 1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.741 -10.546 0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.202 -9.602 -0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.980 -9.892 -1.401 1.00 0.00 H new ATOM 908 N VAL A 57 -1.151 -5.639 -0.528 1.00 0.00 N ATOM 909 CA VAL A 57 -0.512 -4.417 -0.064 1.00 0.00 C ATOM 910 C VAL A 57 -1.238 -3.194 -0.611 1.00 0.00 C ATOM 911 O VAL A 57 -1.534 -2.254 0.126 1.00 0.00 O ATOM 912 CB VAL A 57 0.951 -4.401 -0.514 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.578 -3.042 -0.184 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.712 -5.502 0.216 1.00 0.00 C ATOM 0 H VAL A 57 -0.569 -6.225 -1.126 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.557 -4.387 1.025 1.00 0.00 H new ATOM 0 HB VAL A 57 1.003 -4.569 -1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.619 -3.034 -0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.032 -2.254 -0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.529 -2.870 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.755 -5.495 -0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.658 -5.330 1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.268 -6.469 -0.019 1.00 0.00 H new ATOM 924 N LEU A 58 -1.525 -3.212 -1.903 1.00 0.00 N ATOM 925 CA LEU A 58 -2.210 -2.094 -2.532 1.00 0.00 C ATOM 926 C LEU A 58 -3.602 -1.922 -1.936 1.00 0.00 C ATOM 927 O LEU A 58 -4.053 -0.800 -1.692 1.00 0.00 O ATOM 928 CB LEU A 58 -2.312 -2.319 -4.048 1.00 0.00 C ATOM 929 CG LEU A 58 -3.010 -1.122 -4.712 1.00 0.00 C ATOM 930 CD1 LEU A 58 -2.228 0.173 -4.440 1.00 0.00 C ATOM 931 CD2 LEU A 58 -3.101 -1.366 -6.225 1.00 0.00 C ATOM 0 H LEU A 58 -1.297 -3.982 -2.532 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.635 -1.187 -2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.317 -2.451 -4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.869 -3.234 -4.251 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.011 -1.016 -4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.735 1.011 -4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.173 0.346 -3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.220 0.081 -4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.596 -0.519 -6.701 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.098 -1.478 -6.636 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.674 -2.274 -6.413 1.00 0.00 H new ATOM 943 N ASP A 59 -4.276 -3.041 -1.710 1.00 0.00 N ATOM 944 CA ASP A 59 -5.620 -3.008 -1.151 1.00 0.00 C ATOM 945 C ASP A 59 -5.607 -2.335 0.216 1.00 0.00 C ATOM 946 O ASP A 59 -6.465 -1.505 0.517 1.00 0.00 O ATOM 947 CB ASP A 59 -6.165 -4.431 -1.018 1.00 0.00 C ATOM 948 CG ASP A 59 -7.585 -4.397 -0.459 1.00 0.00 C ATOM 949 OD1 ASP A 59 -8.021 -3.325 -0.074 1.00 0.00 O ATOM 950 OD2 ASP A 59 -8.212 -5.441 -0.430 1.00 0.00 O ATOM 0 H ASP A 59 -3.918 -3.976 -1.903 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.263 -2.437 -1.821 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.160 -4.923 -1.990 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.521 -5.016 -0.361 1.00 0.00 H new ATOM 955 N ALA A 60 -4.625 -2.695 1.037 1.00 0.00 N ATOM 956 CA ALA A 60 -4.505 -2.110 2.370 1.00 0.00 C ATOM 957 C ALA A 60 -4.219 -0.618 2.273 1.00 0.00 C ATOM 958 O ALA A 60 -4.714 0.171 3.072 1.00 0.00 O ATOM 959 CB ALA A 60 -3.382 -2.801 3.151 1.00 0.00 C ATOM 0 H ALA A 60 -3.907 -3.382 0.807 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.449 -2.255 2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.302 -2.357 4.143 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.606 -3.864 3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.439 -2.675 2.620 1.00 0.00 H new ATOM 965 N VAL A 61 -3.418 -0.235 1.283 1.00 0.00 N ATOM 966 CA VAL A 61 -3.076 1.173 1.095 1.00 0.00 C ATOM 967 C VAL A 61 -4.322 1.993 0.768 1.00 0.00 C ATOM 968 O VAL A 61 -4.518 3.074 1.312 1.00 0.00 O ATOM 969 CB VAL A 61 -2.056 1.314 -0.042 1.00 0.00 C ATOM 970 CG1 VAL A 61 -1.895 2.796 -0.418 1.00 0.00 C ATOM 971 CG2 VAL A 61 -0.703 0.757 0.411 1.00 0.00 C ATOM 0 H VAL A 61 -2.997 -0.871 0.605 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.644 1.549 2.023 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.410 0.757 -0.910 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.169 2.890 -1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.855 3.195 -0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.546 3.356 0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.021 0.858 -0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.354 1.312 1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.812 -0.296 0.672 1.00 0.00 H new ATOM 981 N GLU A 62 -5.151 1.475 -0.125 1.00 0.00 N ATOM 982 CA GLU A 62 -6.368 2.178 -0.519 1.00 0.00 C ATOM 983 C GLU A 62 -7.409 2.121 0.594 1.00 0.00 C ATOM 984 O GLU A 62 -8.057 3.120 0.905 1.00 0.00 O ATOM 985 CB GLU A 62 -6.943 1.546 -1.784 1.00 0.00 C ATOM 986 CG GLU A 62 -5.901 1.600 -2.894 1.00 0.00 C ATOM 987 CD GLU A 62 -5.693 3.040 -3.359 1.00 0.00 C ATOM 988 OE1 GLU A 62 -6.457 3.895 -2.940 1.00 0.00 O ATOM 989 OE2 GLU A 62 -4.772 3.269 -4.126 1.00 0.00 O ATOM 0 H GLU A 62 -5.008 0.578 -0.589 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.116 3.221 -0.710 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.230 0.513 -1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.845 2.075 -2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.958 1.187 -2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.222 0.983 -3.733 1.00 0.00 H new ATOM 996 N SER A 63 -7.572 0.943 1.180 1.00 0.00 N ATOM 997 CA SER A 63 -8.544 0.754 2.249 1.00 0.00 C ATOM 998 C SER A 63 -8.206 1.629 3.451 1.00 0.00 C ATOM 999 O SER A 63 -9.096 2.101 4.157 1.00 0.00 O ATOM 1000 CB SER A 63 -8.562 -0.712 2.672 1.00 0.00 C ATOM 1001 OG SER A 63 -7.513 -0.947 3.605 1.00 0.00 O ATOM 0 H SER A 63 -7.045 0.105 0.934 1.00 0.00 H new ATOM 0 HA SER A 63 -9.527 1.042 1.877 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.524 -0.961 3.119 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.440 -1.355 1.800 1.00 0.00 H new ATOM 0 HG SER A 63 -6.678 -0.566 3.261 1.00 0.00 H new ATOM 1007 N THR A 64 -6.914 1.838 3.678 1.00 0.00 N ATOM 1008 CA THR A 64 -6.463 2.658 4.798 1.00 0.00 C ATOM 1009 C THR A 64 -6.413 4.127 4.404 1.00 0.00 C ATOM 1010 O THR A 64 -6.978 4.982 5.085 1.00 0.00 O ATOM 1011 CB THR A 64 -5.077 2.205 5.254 1.00 0.00 C ATOM 1012 OG1 THR A 64 -4.190 2.213 4.145 1.00 0.00 O ATOM 1013 CG2 THR A 64 -5.173 0.796 5.834 1.00 0.00 C ATOM 0 H THR A 64 -6.163 1.453 3.105 1.00 0.00 H new ATOM 0 HA THR A 64 -7.173 2.538 5.617 1.00 0.00 H new ATOM 0 HB THR A 64 -4.699 2.884 6.019 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.030 1.293 3.847 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.186 0.469 6.161 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.854 0.798 6.685 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.547 0.113 5.071 1.00 0.00 H new ATOM 1021 N LEU A 65 -5.732 4.415 3.299 1.00 0.00 N ATOM 1022 CA LEU A 65 -5.612 5.791 2.823 1.00 0.00 C ATOM 1023 C LEU A 65 -6.682 6.089 1.781 1.00 0.00 C ATOM 1024 O LEU A 65 -6.413 6.093 0.583 1.00 0.00 O ATOM 1025 CB LEU A 65 -4.228 6.009 2.205 1.00 0.00 C ATOM 1026 CG LEU A 65 -4.024 7.502 1.884 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -4.027 8.339 3.183 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -2.688 7.685 1.140 1.00 0.00 C ATOM 0 H LEU A 65 -5.258 3.722 2.720 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.745 6.463 3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.455 5.668 2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.129 5.416 1.296 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.843 7.847 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.882 9.391 2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.981 8.214 3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.220 8.003 3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.541 8.740 0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.870 7.332 1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.706 7.112 0.213 1.00 0.00 H new ATOM 1040 N SER A 66 -7.894 6.351 2.252 1.00 0.00 N ATOM 1041 CA SER A 66 -9.005 6.670 1.365 1.00 0.00 C ATOM 1042 C SER A 66 -8.909 8.123 0.878 1.00 0.00 C ATOM 1043 O SER A 66 -9.091 8.399 -0.306 1.00 0.00 O ATOM 1044 CB SER A 66 -10.341 6.455 2.102 1.00 0.00 C ATOM 1045 OG SER A 66 -11.059 7.685 2.177 1.00 0.00 O ATOM 0 H SER A 66 -8.133 6.349 3.244 1.00 0.00 H new ATOM 0 HA SER A 66 -8.958 6.009 0.499 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.938 5.707 1.580 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.155 6.071 3.105 1.00 0.00 H new ATOM 0 HG SER A 66 -11.908 7.540 2.645 1.00 0.00 H new ATOM 1051 N PRO A 67 -8.659 9.046 1.776 1.00 0.00 N ATOM 1052 CA PRO A 67 -8.576 10.492 1.432 1.00 0.00 C ATOM 1053 C PRO A 67 -7.224 10.869 0.841 1.00 0.00 C ATOM 1054 O PRO A 67 -6.211 10.885 1.541 1.00 0.00 O ATOM 1055 CB PRO A 67 -8.809 11.194 2.781 1.00 0.00 C ATOM 1056 CG PRO A 67 -8.338 10.222 3.829 1.00 0.00 C ATOM 1057 CD PRO A 67 -8.418 8.813 3.215 1.00 0.00 C ATOM 0 HA PRO A 67 -9.299 10.776 0.667 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.254 12.130 2.837 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.862 11.439 2.919 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.317 10.451 4.134 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.960 10.288 4.722 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.495 8.257 3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.223 8.231 3.663 1.00 0.00 H new ATOM 1065 N CYS A 68 -7.215 11.178 -0.453 1.00 0.00 N ATOM 1066 CA CYS A 68 -5.980 11.564 -1.140 1.00 0.00 C ATOM 1067 C CYS A 68 -6.220 12.789 -2.021 1.00 0.00 C ATOM 1068 O CYS A 68 -5.434 13.736 -2.011 1.00 0.00 O ATOM 1069 CB CYS A 68 -5.473 10.398 -1.991 1.00 0.00 C ATOM 1070 SG CYS A 68 -6.868 9.608 -2.827 1.00 0.00 S ATOM 0 H CYS A 68 -8.044 11.170 -1.047 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.227 11.816 -0.393 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.752 10.757 -2.725 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.955 9.674 -1.362 1.00 0.00 H new ATOM 0 HG CYS A 68 -7.703 9.151 -1.941 1.00 0.00 H new ATOM 1076 N LYS A 69 -7.308 12.756 -2.782 1.00 0.00 N ATOM 1077 CA LYS A 69 -7.644 13.860 -3.674 1.00 0.00 C ATOM 1078 C LYS A 69 -8.024 15.103 -2.875 1.00 0.00 C ATOM 1079 O LYS A 69 -8.231 16.175 -3.440 1.00 0.00 O ATOM 1080 CB LYS A 69 -8.807 13.462 -4.582 1.00 0.00 C ATOM 1081 CG LYS A 69 -8.392 12.280 -5.458 1.00 0.00 C ATOM 1082 CD LYS A 69 -9.571 11.855 -6.336 1.00 0.00 C ATOM 1083 CE LYS A 69 -9.147 10.689 -7.231 1.00 0.00 C ATOM 1084 NZ LYS A 69 -8.743 9.533 -6.380 1.00 0.00 N ATOM 0 H LYS A 69 -7.970 11.980 -2.800 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.768 14.088 -4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.676 13.195 -3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.099 14.306 -5.207 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.542 12.557 -6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.071 11.446 -4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.415 11.560 -5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.904 12.694 -6.947 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.969 10.402 -7.887 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.318 10.990 -7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.766 8.661 -6.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.780 9.687 -6.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.402 9.444 -5.580 1.00 0.00 H new ATOM 1098 N GLU A 70 -8.118 14.946 -1.559 1.00 0.00 N ATOM 1099 CA GLU A 70 -8.482 16.061 -0.694 1.00 0.00 C ATOM 1100 C GLU A 70 -7.328 17.045 -0.576 1.00 0.00 C ATOM 1101 O GLU A 70 -7.526 18.215 -0.245 1.00 0.00 O ATOM 1102 CB GLU A 70 -8.856 15.541 0.697 1.00 0.00 C ATOM 1103 CG GLU A 70 -9.273 16.713 1.592 1.00 0.00 C ATOM 1104 CD GLU A 70 -9.768 16.195 2.938 1.00 0.00 C ATOM 1105 OE1 GLU A 70 -10.062 15.014 3.023 1.00 0.00 O ATOM 1106 OE2 GLU A 70 -9.845 16.987 3.863 1.00 0.00 O ATOM 0 H GLU A 70 -7.949 14.066 -1.072 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.338 16.574 -1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.671 14.822 0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.009 15.016 1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.428 17.385 1.741 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.058 17.291 1.105 1.00 0.00 H new ATOM 1113 N HIS A 71 -6.115 16.572 -0.855 1.00 0.00 N ATOM 1114 CA HIS A 71 -4.927 17.425 -0.781 1.00 0.00 C ATOM 1115 C HIS A 71 -4.476 17.839 -2.171 1.00 0.00 C ATOM 1116 O HIS A 71 -3.791 17.087 -2.861 1.00 0.00 O ATOM 1117 CB HIS A 71 -3.798 16.678 -0.075 1.00 0.00 C ATOM 1118 CG HIS A 71 -4.221 16.342 1.329 1.00 0.00 C ATOM 1119 ND1 HIS A 71 -4.272 17.295 2.337 1.00 0.00 N ATOM 1120 CD2 HIS A 71 -4.613 15.162 1.911 1.00 0.00 C ATOM 1121 CE1 HIS A 71 -4.678 16.676 3.461 1.00 0.00 C ATOM 1122 NE2 HIS A 71 -4.900 15.374 3.256 1.00 0.00 N ATOM 0 H HIS A 71 -5.928 15.609 -1.133 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.180 18.322 -0.216 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.553 15.767 -0.621 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.897 17.291 -0.058 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -4.687 14.212 1.402 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -4.808 17.171 4.412 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -5.213 14.684 3.939 1.00 0.00 H new ATOM 1130 N ASP A 72 -4.864 19.046 -2.582 1.00 0.00 N ATOM 1131 CA ASP A 72 -4.488 19.549 -3.895 1.00 0.00 C ATOM 1132 C ASP A 72 -2.975 19.683 -3.999 1.00 0.00 C ATOM 1133 O ASP A 72 -2.373 19.290 -4.997 1.00 0.00 O ATOM 1134 CB ASP A 72 -5.141 20.915 -4.133 1.00 0.00 C ATOM 1135 CG ASP A 72 -4.830 21.851 -2.970 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -4.333 21.369 -1.965 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -5.091 23.036 -3.100 1.00 0.00 O ATOM 0 H ASP A 72 -5.433 19.686 -2.028 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.833 18.843 -4.651 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.774 21.345 -5.065 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.220 20.798 -4.238 1.00 0.00 H new ATOM 1142 N VAL A 73 -2.363 20.235 -2.955 1.00 0.00 N ATOM 1143 CA VAL A 73 -0.916 20.410 -2.938 1.00 0.00 C ATOM 1144 C VAL A 73 -0.220 19.054 -2.956 1.00 0.00 C ATOM 1145 O VAL A 73 0.740 18.847 -3.699 1.00 0.00 O ATOM 1146 CB VAL A 73 -0.492 21.192 -1.690 1.00 0.00 C ATOM 1147 CG1 VAL A 73 1.037 21.236 -1.599 1.00 0.00 C ATOM 1148 CG2 VAL A 73 -1.042 22.619 -1.777 1.00 0.00 C ATOM 0 H VAL A 73 -2.842 20.566 -2.117 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.625 20.971 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.888 20.700 -0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.333 21.793 -0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.427 20.220 -1.537 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.440 21.726 -2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.743 23.179 -0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.645 23.108 -2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.130 22.587 -1.835 1.00 0.00 H new ATOM 1158 N ILE A 74 -0.712 18.130 -2.133 1.00 0.00 N ATOM 1159 CA ILE A 74 -0.131 16.790 -2.055 1.00 0.00 C ATOM 1160 C ILE A 74 -0.871 15.845 -2.995 1.00 0.00 C ATOM 1161 O ILE A 74 -0.662 14.633 -2.968 1.00 0.00 O ATOM 1162 CB ILE A 74 -0.202 16.260 -0.612 1.00 0.00 C ATOM 1163 CG1 ILE A 74 0.026 17.417 0.368 1.00 0.00 C ATOM 1164 CG2 ILE A 74 0.877 15.195 -0.391 1.00 0.00 C ATOM 1165 CD1 ILE A 74 0.013 16.877 1.799 1.00 0.00 C ATOM 0 H ILE A 74 -1.508 18.283 -1.513 1.00 0.00 H new ATOM 0 HA ILE A 74 0.915 16.844 -2.357 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.184 15.819 -0.443 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.979 17.903 0.159 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.751 18.172 0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.819 14.826 0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.720 14.369 -1.084 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.860 15.632 -0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.175 17.697 2.499 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.951 16.411 2.003 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.806 16.138 1.916 1.00 0.00 H new ATOM 1177 N GLY A 75 -1.734 16.407 -3.831 1.00 0.00 N ATOM 1178 CA GLY A 75 -2.489 15.597 -4.779 1.00 0.00 C ATOM 1179 C GLY A 75 -1.554 14.759 -5.652 1.00 0.00 C ATOM 1180 O GLY A 75 -2.007 13.986 -6.496 1.00 0.00 O ATOM 0 H GLY A 75 -1.928 17.408 -3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.172 14.942 -4.239 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.099 16.243 -5.410 1.00 0.00 H new ATOM 1184 N THR A 76 -0.247 14.910 -5.442 1.00 0.00 N ATOM 1185 CA THR A 76 0.738 14.156 -6.209 1.00 0.00 C ATOM 1186 C THR A 76 0.632 12.663 -5.896 1.00 0.00 C ATOM 1187 O THR A 76 0.887 11.809 -6.754 1.00 0.00 O ATOM 1188 CB THR A 76 2.148 14.660 -5.878 1.00 0.00 C ATOM 1189 OG1 THR A 76 2.342 14.625 -4.470 1.00 0.00 O ATOM 1190 CG2 THR A 76 2.312 16.095 -6.382 1.00 0.00 C ATOM 0 H THR A 76 0.151 15.545 -4.750 1.00 0.00 H new ATOM 0 HA THR A 76 0.542 14.303 -7.271 1.00 0.00 H new ATOM 0 HB THR A 76 2.886 14.022 -6.364 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.243 14.945 -4.256 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.315 16.451 -6.146 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.163 16.121 -7.461 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.576 16.737 -5.898 1.00 0.00 H new ATOM 1198 N LYS A 77 0.250 12.354 -4.665 1.00 0.00 N ATOM 1199 CA LYS A 77 0.110 10.966 -4.246 1.00 0.00 C ATOM 1200 C LYS A 77 -0.899 10.248 -5.133 1.00 0.00 C ATOM 1201 O LYS A 77 -0.723 9.080 -5.472 1.00 0.00 O ATOM 1202 CB LYS A 77 -0.347 10.912 -2.789 1.00 0.00 C ATOM 1203 CG LYS A 77 -1.714 11.589 -2.652 1.00 0.00 C ATOM 1204 CD LYS A 77 -1.955 11.993 -1.199 1.00 0.00 C ATOM 1205 CE LYS A 77 -1.963 10.752 -0.308 1.00 0.00 C ATOM 1206 NZ LYS A 77 -2.404 11.127 1.066 1.00 0.00 N ATOM 0 H LYS A 77 0.033 13.041 -3.943 1.00 0.00 H new ATOM 0 HA LYS A 77 1.075 10.468 -4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.408 9.876 -2.455 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.382 11.410 -2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.759 12.468 -3.295 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.500 10.911 -2.984 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.177 12.682 -0.870 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.905 12.520 -1.112 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.632 9.998 -0.723 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.967 10.310 -0.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.918 10.527 1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.171 12.125 1.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.432 10.991 1.150 1.00 0.00 H new ATOM 1220 N VAL A 78 -1.954 10.956 -5.512 1.00 0.00 N ATOM 1221 CA VAL A 78 -2.981 10.370 -6.360 1.00 0.00 C ATOM 1222 C VAL A 78 -2.376 9.912 -7.683 1.00 0.00 C ATOM 1223 O VAL A 78 -2.668 8.816 -8.166 1.00 0.00 O ATOM 1224 CB VAL A 78 -4.084 11.393 -6.630 1.00 0.00 C ATOM 1225 CG1 VAL A 78 -5.141 10.781 -7.554 1.00 0.00 C ATOM 1226 CG2 VAL A 78 -4.737 11.800 -5.305 1.00 0.00 C ATOM 0 H VAL A 78 -2.120 11.927 -5.249 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.406 9.508 -5.845 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.652 12.272 -7.109 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.926 11.513 -7.744 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.677 10.493 -8.497 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.574 9.901 -7.079 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.524 12.530 -5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.167 10.920 -4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.986 12.240 -4.649 1.00 0.00 H new ATOM 1236 N CYS A 79 -1.527 10.755 -8.265 1.00 0.00 N ATOM 1237 CA CYS A 79 -0.882 10.425 -9.529 1.00 0.00 C ATOM 1238 C CYS A 79 0.014 9.204 -9.361 1.00 0.00 C ATOM 1239 O CYS A 79 0.080 8.350 -10.245 1.00 0.00 O ATOM 1240 CB CYS A 79 -0.043 11.605 -10.017 1.00 0.00 C ATOM 1241 SG CYS A 79 -1.136 12.982 -10.451 1.00 0.00 S ATOM 0 H CYS A 79 -1.272 11.666 -7.883 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.657 10.205 -10.264 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.657 11.913 -9.241 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.550 11.310 -10.883 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.424 13.988 -10.864 1.00 0.00 H new ATOM 1247 N ALA A 80 0.702 9.121 -8.226 1.00 0.00 N ATOM 1248 CA ALA A 80 1.587 7.987 -7.971 1.00 0.00 C ATOM 1249 C ALA A 80 0.805 6.673 -8.005 1.00 0.00 C ATOM 1250 O ALA A 80 1.147 5.747 -8.747 1.00 0.00 O ATOM 1251 CB ALA A 80 2.252 8.153 -6.600 1.00 0.00 C ATOM 0 H ALA A 80 0.666 9.813 -7.478 1.00 0.00 H new ATOM 0 HA ALA A 80 2.349 7.959 -8.749 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.912 7.306 -6.411 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.832 9.076 -6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.485 8.195 -5.826 1.00 0.00 H new ATOM 1257 N LEU A 81 -0.254 6.605 -7.208 1.00 0.00 N ATOM 1258 CA LEU A 81 -1.084 5.406 -7.157 1.00 0.00 C ATOM 1259 C LEU A 81 -1.737 5.159 -8.506 1.00 0.00 C ATOM 1260 O LEU A 81 -1.837 4.021 -8.962 1.00 0.00 O ATOM 1261 CB LEU A 81 -2.151 5.556 -6.061 1.00 0.00 C ATOM 1262 CG LEU A 81 -1.567 5.144 -4.697 1.00 0.00 C ATOM 1263 CD1 LEU A 81 -1.318 3.616 -4.650 1.00 0.00 C ATOM 1264 CD2 LEU A 81 -0.245 5.896 -4.455 1.00 0.00 C ATOM 0 H LEU A 81 -0.558 7.359 -6.592 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.455 4.548 -6.919 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.499 6.588 -6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.016 4.937 -6.297 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.283 5.402 -3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.905 3.344 -3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.260 3.089 -4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.614 3.338 -5.434 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.168 5.604 -3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.465 5.647 -5.244 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.431 6.970 -4.460 1.00 0.00 H new ATOM 1276 N LEU A 82 -2.184 6.227 -9.140 1.00 0.00 N ATOM 1277 CA LEU A 82 -2.831 6.099 -10.429 1.00 0.00 C ATOM 1278 C LEU A 82 -1.865 5.508 -11.447 1.00 0.00 C ATOM 1279 O LEU A 82 -2.237 4.636 -12.239 1.00 0.00 O ATOM 1280 CB LEU A 82 -3.315 7.474 -10.906 1.00 0.00 C ATOM 1281 CG LEU A 82 -3.995 7.350 -12.279 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -5.206 6.404 -12.186 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -4.452 8.739 -12.743 1.00 0.00 C ATOM 0 H LEU A 82 -2.112 7.181 -8.787 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.687 5.432 -10.329 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.014 7.893 -10.182 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.472 8.162 -10.970 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.286 6.940 -12.998 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.681 6.323 -13.164 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.873 5.418 -11.861 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.923 6.800 -11.467 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.935 8.657 -13.717 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.158 9.150 -12.021 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.588 9.399 -12.821 1.00 0.00 H new ATOM 1295 N ASP A 83 -0.626 5.984 -11.426 1.00 0.00 N ATOM 1296 CA ASP A 83 0.382 5.502 -12.358 1.00 0.00 C ATOM 1297 C ASP A 83 0.625 4.013 -12.147 1.00 0.00 C ATOM 1298 O ASP A 83 0.722 3.248 -13.104 1.00 0.00 O ATOM 1299 CB ASP A 83 1.689 6.272 -12.159 1.00 0.00 C ATOM 1300 CG ASP A 83 2.737 5.786 -13.153 1.00 0.00 C ATOM 1301 OD1 ASP A 83 2.351 5.379 -14.236 1.00 0.00 O ATOM 1302 OD2 ASP A 83 3.909 5.830 -12.816 1.00 0.00 O ATOM 0 H ASP A 83 -0.298 6.699 -10.777 1.00 0.00 H new ATOM 0 HA ASP A 83 0.023 5.662 -13.375 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.516 7.340 -12.294 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.051 6.134 -11.140 1.00 0.00 H new ATOM 1307 N ARG A 84 0.716 3.610 -10.883 1.00 0.00 N ATOM 1308 CA ARG A 84 0.945 2.204 -10.560 1.00 0.00 C ATOM 1309 C ARG A 84 -0.231 1.351 -11.026 1.00 0.00 C ATOM 1310 O ARG A 84 -0.048 0.249 -11.539 1.00 0.00 O ATOM 1311 CB ARG A 84 1.131 2.043 -9.049 1.00 0.00 C ATOM 1312 CG ARG A 84 2.478 2.642 -8.635 1.00 0.00 C ATOM 1313 CD ARG A 84 2.610 2.598 -7.114 1.00 0.00 C ATOM 1314 NE ARG A 84 2.644 1.217 -6.650 1.00 0.00 N ATOM 1315 CZ ARG A 84 2.597 0.927 -5.353 1.00 0.00 C ATOM 1316 NH1 ARG A 84 2.518 1.886 -4.472 1.00 0.00 N ATOM 1317 NH2 ARG A 84 2.632 -0.317 -4.961 1.00 0.00 N ATOM 0 H ARG A 84 0.636 4.227 -10.075 1.00 0.00 H new ATOM 0 HA ARG A 84 1.846 1.871 -11.075 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.320 2.541 -8.517 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.091 0.988 -8.777 1.00 0.00 H new ATOM 0 HG2 ARG A 84 3.293 2.085 -9.098 1.00 0.00 H new ATOM 0 HG3 ARG A 84 2.554 3.671 -8.988 1.00 0.00 H new ATOM 0 HD2 ARG A 84 3.519 3.115 -6.806 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.773 3.123 -6.654 1.00 0.00 H new ATOM 0 HE ARG A 84 2.705 0.460 -7.331 1.00 0.00 H new ATOM 0 HH11 ARG A 84 2.492 2.859 -4.778 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.482 1.663 -3.477 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.695 -1.067 -5.649 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.596 -0.539 -3.966 1.00 0.00 H new ATOM 1331 N LEU A 85 -1.435 1.875 -10.845 1.00 0.00 N ATOM 1332 CA LEU A 85 -2.645 1.164 -11.249 1.00 0.00 C ATOM 1333 C LEU A 85 -2.672 0.972 -12.760 1.00 0.00 C ATOM 1334 O LEU A 85 -3.113 -0.062 -13.257 1.00 0.00 O ATOM 1335 CB LEU A 85 -3.884 1.944 -10.800 1.00 0.00 C ATOM 1336 CG LEU A 85 -4.136 1.712 -9.298 1.00 0.00 C ATOM 1337 CD1 LEU A 85 -5.053 2.814 -8.758 1.00 0.00 C ATOM 1338 CD2 LEU A 85 -4.799 0.336 -9.061 1.00 0.00 C ATOM 0 H LEU A 85 -1.602 2.788 -10.422 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.647 0.183 -10.773 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.745 3.008 -10.994 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.753 1.626 -11.376 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.178 1.734 -8.778 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.232 2.650 -7.695 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.578 3.785 -8.901 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -6.002 2.792 -9.293 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.968 0.193 -7.994 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.752 0.296 -9.588 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.145 -0.452 -9.434 1.00 0.00 H new ATOM 1350 N ALA A 86 -2.207 1.980 -13.484 1.00 0.00 N ATOM 1351 CA ALA A 86 -2.199 1.914 -14.938 1.00 0.00 C ATOM 1352 C ALA A 86 -1.389 0.713 -15.411 1.00 0.00 C ATOM 1353 O ALA A 86 -1.771 0.035 -16.367 1.00 0.00 O ATOM 1354 CB ALA A 86 -1.587 3.194 -15.508 1.00 0.00 C ATOM 0 H ALA A 86 -1.834 2.845 -13.093 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.226 1.809 -15.288 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.582 3.142 -16.597 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.177 4.053 -15.189 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.565 3.301 -15.146 1.00 0.00 H new ATOM 1360 N GLY A 87 -0.274 0.447 -14.737 1.00 0.00 N ATOM 1361 CA GLY A 87 0.576 -0.684 -15.099 1.00 0.00 C ATOM 1362 C GLY A 87 2.014 -0.446 -14.658 1.00 0.00 C ATOM 1363 O GLY A 87 2.805 -1.384 -14.559 1.00 0.00 O ATOM 0 H GLY A 87 0.061 0.994 -13.944 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.195 -1.594 -14.635 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.543 -0.838 -16.178 1.00 0.00 H new ATOM 1367 N ASP A 88 2.347 0.812 -14.397 1.00 0.00 N ATOM 1368 CA ASP A 88 3.696 1.160 -13.966 1.00 0.00 C ATOM 1369 C ASP A 88 3.884 0.831 -12.490 1.00 0.00 C ATOM 1370 O ASP A 88 4.232 1.700 -11.690 1.00 0.00 O ATOM 1371 CB ASP A 88 3.947 2.649 -14.193 1.00 0.00 C ATOM 1372 CG ASP A 88 4.071 2.937 -15.686 1.00 0.00 C ATOM 1373 OD1 ASP A 88 4.212 1.989 -16.442 1.00 0.00 O ATOM 1374 OD2 ASP A 88 4.025 4.100 -16.052 1.00 0.00 O ATOM 0 H ASP A 88 1.708 1.603 -14.475 1.00 0.00 H new ATOM 0 HA ASP A 88 4.408 0.578 -14.552 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.130 3.232 -13.769 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.858 2.955 -13.679 1.00 0.00 H new ATOM 1379 N TYR A 89 3.655 -0.427 -12.135 1.00 0.00 N ATOM 1380 CA TYR A 89 3.806 -0.860 -10.752 1.00 0.00 C ATOM 1381 C TYR A 89 5.275 -0.829 -10.346 1.00 0.00 C ATOM 1382 O TYR A 89 6.113 -0.277 -11.061 1.00 0.00 O ATOM 1383 CB TYR A 89 3.256 -2.276 -10.584 1.00 0.00 C ATOM 1384 CG TYR A 89 3.902 -3.192 -11.598 1.00 0.00 C ATOM 1385 CD1 TYR A 89 5.162 -3.746 -11.344 1.00 0.00 C ATOM 1386 CD2 TYR A 89 3.237 -3.487 -12.794 1.00 0.00 C ATOM 1387 CE1 TYR A 89 5.757 -4.592 -12.284 1.00 0.00 C ATOM 1388 CE2 TYR A 89 3.833 -4.336 -13.737 1.00 0.00 C ATOM 1389 CZ TYR A 89 5.093 -4.887 -13.481 1.00 0.00 C ATOM 1390 OH TYR A 89 5.683 -5.724 -14.409 1.00 0.00 O ATOM 0 H TYR A 89 3.366 -1.161 -12.781 1.00 0.00 H new ATOM 0 HA TYR A 89 3.246 -0.179 -10.111 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.454 -2.637 -9.575 1.00 0.00 H new ATOM 0 HB3 TYR A 89 2.174 -2.275 -10.716 1.00 0.00 H new ATOM 0 HD1 TYR A 89 5.675 -3.520 -10.421 1.00 0.00 H new ATOM 0 HD2 TYR A 89 2.264 -3.060 -12.990 1.00 0.00 H new ATOM 0 HE1 TYR A 89 6.729 -5.018 -12.087 1.00 0.00 H new ATOM 0 HE2 TYR A 89 3.320 -4.564 -14.660 1.00 0.00 H new ATOM 0 HH TYR A 89 6.658 -5.670 -14.325 1.00 0.00 H new ATOM 1400 N VAL A 90 5.579 -1.420 -9.191 1.00 0.00 N ATOM 1401 CA VAL A 90 6.954 -1.459 -8.682 1.00 0.00 C ATOM 1402 C VAL A 90 7.473 -2.891 -8.656 1.00 0.00 C ATOM 1403 O VAL A 90 6.796 -3.801 -8.171 1.00 0.00 O ATOM 1404 CB VAL A 90 7.004 -0.865 -7.271 1.00 0.00 C ATOM 1405 CG1 VAL A 90 6.799 0.649 -7.349 1.00 0.00 C ATOM 1406 CG2 VAL A 90 5.898 -1.484 -6.413 1.00 0.00 C ATOM 0 H VAL A 90 4.895 -1.878 -8.589 1.00 0.00 H new ATOM 0 HA VAL A 90 7.587 -0.869 -9.345 1.00 0.00 H new ATOM 0 HB VAL A 90 7.974 -1.080 -6.822 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.834 1.073 -6.346 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.587 1.092 -7.958 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.829 0.862 -7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.936 -1.060 -5.410 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.928 -1.271 -6.861 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.042 -2.563 -6.356 1.00 0.00 H new ATOM 1416 N TYR A 91 8.677 -3.084 -9.179 1.00 0.00 N ATOM 1417 CA TYR A 91 9.281 -4.407 -9.218 1.00 0.00 C ATOM 1418 C TYR A 91 9.772 -4.800 -7.838 1.00 0.00 C ATOM 1419 O TYR A 91 10.096 -3.942 -7.017 1.00 0.00 O ATOM 1420 CB TYR A 91 10.450 -4.426 -10.201 1.00 0.00 C ATOM 1421 CG TYR A 91 9.927 -4.249 -11.605 1.00 0.00 C ATOM 1422 CD1 TYR A 91 9.635 -2.967 -12.086 1.00 0.00 C ATOM 1423 CD2 TYR A 91 9.735 -5.366 -12.427 1.00 0.00 C ATOM 1424 CE1 TYR A 91 9.154 -2.803 -13.389 1.00 0.00 C ATOM 1425 CE2 TYR A 91 9.250 -5.200 -13.729 1.00 0.00 C ATOM 1426 CZ TYR A 91 8.961 -3.919 -14.210 1.00 0.00 C ATOM 1427 OH TYR A 91 8.484 -3.755 -15.496 1.00 0.00 O ATOM 0 H TYR A 91 9.252 -2.343 -9.580 1.00 0.00 H new ATOM 0 HA TYR A 91 8.526 -5.121 -9.546 1.00 0.00 H new ATOM 0 HB2 TYR A 91 11.155 -3.630 -9.961 1.00 0.00 H new ATOM 0 HB3 TYR A 91 10.993 -5.368 -10.119 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.781 -2.105 -11.451 1.00 0.00 H new ATOM 0 HD2 TYR A 91 9.961 -6.355 -12.056 1.00 0.00 H new ATOM 0 HE1 TYR A 91 8.931 -1.814 -13.762 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.099 -6.061 -14.363 1.00 0.00 H new ATOM 0 HH TYR A 91 8.409 -4.630 -15.931 1.00 0.00 H new ATOM 1437 N LEU A 92 9.829 -6.103 -7.582 1.00 0.00 N ATOM 1438 CA LEU A 92 10.289 -6.597 -6.287 1.00 0.00 C ATOM 1439 C LEU A 92 11.113 -7.864 -6.463 1.00 0.00 C ATOM 1440 O LEU A 92 10.639 -8.855 -7.017 1.00 0.00 O ATOM 1441 CB LEU A 92 9.087 -6.880 -5.383 1.00 0.00 C ATOM 1442 CG LEU A 92 9.555 -7.079 -3.929 1.00 0.00 C ATOM 1443 CD1 LEU A 92 8.349 -6.974 -2.990 1.00 0.00 C ATOM 1444 CD2 LEU A 92 10.255 -8.450 -3.749 1.00 0.00 C ATOM 0 H LEU A 92 9.565 -6.831 -8.246 1.00 0.00 H new ATOM 0 HA LEU A 92 10.916 -5.835 -5.825 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.379 -6.053 -5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.563 -7.770 -5.730 1.00 0.00 H new ATOM 0 HG LEU A 92 10.279 -6.301 -3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.677 -7.114 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.891 -5.990 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.620 -7.743 -3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.574 -8.562 -2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.559 -9.250 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.124 -8.504 -4.404 1.00 0.00 H new ATOM 1456 N PHE A 93 12.355 -7.830 -5.980 1.00 0.00 N ATOM 1457 CA PHE A 93 13.243 -8.990 -6.079 1.00 0.00 C ATOM 1458 C PHE A 93 14.159 -9.074 -4.863 1.00 0.00 C ATOM 1459 O PHE A 93 14.495 -8.057 -4.257 1.00 0.00 O ATOM 1460 CB PHE A 93 14.079 -8.895 -7.358 1.00 0.00 C ATOM 1461 CG PHE A 93 14.796 -7.568 -7.393 1.00 0.00 C ATOM 1462 CD1 PHE A 93 16.069 -7.441 -6.825 1.00 0.00 C ATOM 1463 CD2 PHE A 93 14.185 -6.461 -7.991 1.00 0.00 C ATOM 1464 CE1 PHE A 93 16.730 -6.209 -6.857 1.00 0.00 C ATOM 1465 CE2 PHE A 93 14.845 -5.229 -8.023 1.00 0.00 C ATOM 1466 CZ PHE A 93 16.118 -5.102 -7.457 1.00 0.00 C ATOM 0 H PHE A 93 12.767 -7.019 -5.519 1.00 0.00 H new ATOM 0 HA PHE A 93 12.633 -9.893 -6.113 1.00 0.00 H new ATOM 0 HB2 PHE A 93 14.800 -9.711 -7.395 1.00 0.00 H new ATOM 0 HB3 PHE A 93 13.437 -8.997 -8.233 1.00 0.00 H new ATOM 0 HD1 PHE A 93 16.541 -8.295 -6.362 1.00 0.00 H new ATOM 0 HD2 PHE A 93 13.202 -6.558 -8.428 1.00 0.00 H new ATOM 0 HE1 PHE A 93 17.712 -6.112 -6.419 1.00 0.00 H new ATOM 0 HE2 PHE A 93 14.372 -4.375 -8.485 1.00 0.00 H new ATOM 0 HZ PHE A 93 16.628 -4.151 -7.483 1.00 0.00 H new ATOM 1476 N ASP A 94 14.558 -10.293 -4.512 1.00 0.00 N ATOM 1477 CA ASP A 94 15.432 -10.504 -3.364 1.00 0.00 C ATOM 1478 C ASP A 94 16.881 -10.232 -3.740 1.00 0.00 C ATOM 1479 O ASP A 94 17.183 -9.967 -4.898 1.00 0.00 O ATOM 1480 CB ASP A 94 15.298 -11.941 -2.860 1.00 0.00 C ATOM 1481 CG ASP A 94 15.749 -12.917 -3.938 1.00 0.00 C ATOM 1482 OD1 ASP A 94 16.067 -12.463 -5.025 1.00 0.00 O ATOM 1483 OD2 ASP A 94 15.762 -14.104 -3.665 1.00 0.00 O ATOM 0 H ASP A 94 14.291 -11.146 -5.004 1.00 0.00 H new ATOM 0 HA ASP A 94 15.135 -9.813 -2.575 1.00 0.00 H new ATOM 0 HB2 ASP A 94 15.899 -12.077 -1.961 1.00 0.00 H new ATOM 0 HB3 ASP A 94 14.263 -12.143 -2.585 1.00 0.00 H new ATOM 1488 N GLU A 95 17.766 -10.293 -2.750 1.00 0.00 N ATOM 1489 CA GLU A 95 19.184 -10.047 -2.987 1.00 0.00 C ATOM 1490 C GLU A 95 19.752 -11.085 -3.950 1.00 0.00 C ATOM 1491 O GLU A 95 20.562 -11.925 -3.568 1.00 0.00 O ATOM 1492 CB GLU A 95 19.951 -10.105 -1.663 1.00 0.00 C ATOM 1493 CG GLU A 95 19.529 -8.935 -0.767 1.00 0.00 C ATOM 1494 CD GLU A 95 18.116 -9.166 -0.242 1.00 0.00 C ATOM 1495 OE1 GLU A 95 17.692 -10.307 -0.219 1.00 0.00 O ATOM 1496 OE2 GLU A 95 17.478 -8.192 0.126 1.00 0.00 O ATOM 0 H GLU A 95 17.528 -10.509 -1.782 1.00 0.00 H new ATOM 0 HA GLU A 95 19.294 -9.057 -3.429 1.00 0.00 H new ATOM 0 HB2 GLU A 95 19.753 -11.051 -1.159 1.00 0.00 H new ATOM 0 HB3 GLU A 95 21.024 -10.062 -1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 95 20.224 -8.835 0.067 1.00 0.00 H new ATOM 0 HG3 GLU A 95 19.569 -8.002 -1.329 1.00 0.00 H new ATOM 1503 N GLY A 96 19.316 -11.017 -5.204 1.00 0.00 N ATOM 1504 CA GLY A 96 19.781 -11.955 -6.219 1.00 0.00 C ATOM 1505 C GLY A 96 19.437 -11.455 -7.616 1.00 0.00 C ATOM 1506 O GLY A 96 20.285 -10.901 -8.314 1.00 0.00 O ATOM 0 H GLY A 96 18.645 -10.326 -5.540 1.00 0.00 H new ATOM 0 HA2 GLY A 96 20.859 -12.088 -6.131 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.325 -12.931 -6.055 1.00 0.00 H new ATOM 1510 N GLY A 97 18.185 -11.652 -8.021 1.00 0.00 N ATOM 1511 CA GLY A 97 17.736 -11.216 -9.343 1.00 0.00 C ATOM 1512 C GLY A 97 16.633 -12.126 -9.872 1.00 0.00 C ATOM 1513 O GLY A 97 16.613 -12.466 -11.055 1.00 0.00 O ATOM 0 H GLY A 97 17.467 -12.107 -7.458 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.371 -10.190 -9.287 1.00 0.00 H new ATOM 0 HA3 GLY A 97 18.577 -11.218 -10.036 1.00 0.00 H new ATOM 1517 N ASP A 98 15.718 -12.519 -8.989 1.00 0.00 N ATOM 1518 CA ASP A 98 14.612 -13.397 -9.371 1.00 0.00 C ATOM 1519 C ASP A 98 13.364 -13.069 -8.559 1.00 0.00 C ATOM 1520 O ASP A 98 13.419 -12.305 -7.594 1.00 0.00 O ATOM 1521 CB ASP A 98 15.005 -14.857 -9.141 1.00 0.00 C ATOM 1522 CG ASP A 98 16.003 -15.310 -10.204 1.00 0.00 C ATOM 1523 OD1 ASP A 98 16.004 -14.730 -11.277 1.00 0.00 O ATOM 1524 OD2 ASP A 98 16.759 -16.227 -9.924 1.00 0.00 O ATOM 0 H ASP A 98 15.719 -12.245 -8.007 1.00 0.00 H new ATOM 0 HA ASP A 98 14.394 -13.241 -10.428 1.00 0.00 H new ATOM 0 HB2 ASP A 98 15.443 -14.971 -8.149 1.00 0.00 H new ATOM 0 HB3 ASP A 98 14.118 -15.489 -9.173 1.00 0.00 H new ATOM 1529 N GLU A 99 12.238 -13.650 -8.961 1.00 0.00 N ATOM 1530 CA GLU A 99 10.977 -13.412 -8.271 1.00 0.00 C ATOM 1531 C GLU A 99 10.888 -14.282 -7.026 1.00 0.00 C ATOM 1532 O GLU A 99 10.423 -15.420 -7.084 1.00 0.00 O ATOM 1533 CB GLU A 99 9.803 -13.726 -9.198 1.00 0.00 C ATOM 1534 CG GLU A 99 9.805 -12.769 -10.400 1.00 0.00 C ATOM 1535 CD GLU A 99 10.789 -13.251 -11.464 1.00 0.00 C ATOM 1536 OE1 GLU A 99 11.479 -14.223 -11.208 1.00 0.00 O ATOM 1537 OE2 GLU A 99 10.838 -12.640 -12.518 1.00 0.00 O ATOM 0 H GLU A 99 12.174 -14.285 -9.756 1.00 0.00 H new ATOM 0 HA GLU A 99 10.934 -12.363 -7.979 1.00 0.00 H new ATOM 0 HB2 GLU A 99 9.870 -14.757 -9.545 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.864 -13.634 -8.652 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.803 -12.706 -10.824 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.076 -11.765 -10.073 1.00 0.00 H new ATOM 1544 N VAL A 100 11.338 -13.737 -5.901 1.00 0.00 N ATOM 1545 CA VAL A 100 11.312 -14.463 -4.632 1.00 0.00 C ATOM 1546 C VAL A 100 10.959 -13.522 -3.488 1.00 0.00 C ATOM 1547 O VAL A 100 11.048 -12.301 -3.627 1.00 0.00 O ATOM 1548 CB VAL A 100 12.676 -15.100 -4.371 1.00 0.00 C ATOM 1549 CG1 VAL A 100 12.638 -15.864 -3.043 1.00 0.00 C ATOM 1550 CG2 VAL A 100 13.005 -16.072 -5.505 1.00 0.00 C ATOM 0 H VAL A 100 11.725 -12.795 -5.840 1.00 0.00 H new ATOM 0 HA VAL A 100 10.553 -15.243 -4.693 1.00 0.00 H new ATOM 0 HB VAL A 100 13.438 -14.322 -4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 100 13.611 -16.318 -2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 100 12.399 -15.175 -2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.877 -16.643 -3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 100 13.978 -16.529 -5.322 1.00 0.00 H new ATOM 0 HG22 VAL A 100 12.242 -16.849 -5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 100 13.030 -15.532 -6.451 1.00 0.00 H new ATOM 1560 N ILE A 101 10.557 -14.096 -2.355 1.00 0.00 N ATOM 1561 CA ILE A 101 10.187 -13.308 -1.180 1.00 0.00 C ATOM 1562 C ILE A 101 11.008 -13.729 0.023 1.00 0.00 C ATOM 1563 O ILE A 101 11.103 -14.915 0.343 1.00 0.00 O ATOM 1564 CB ILE A 101 8.698 -13.496 -0.878 1.00 0.00 C ATOM 1565 CG1 ILE A 101 7.848 -13.007 -2.084 1.00 0.00 C ATOM 1566 CG2 ILE A 101 8.338 -12.694 0.375 1.00 0.00 C ATOM 1567 CD1 ILE A 101 7.525 -14.183 -3.012 1.00 0.00 C ATOM 0 H ILE A 101 10.479 -15.105 -2.226 1.00 0.00 H new ATOM 0 HA ILE A 101 10.386 -12.257 -1.390 1.00 0.00 H new ATOM 0 HB ILE A 101 8.489 -14.552 -0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 101 6.925 -12.551 -1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.391 -12.238 -2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.279 -12.822 0.597 1.00 0.00 H new ATOM 0 HG22 ILE A 101 8.931 -13.050 1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 101 8.547 -11.638 0.204 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.929 -13.829 -3.854 1.00 0.00 H new ATOM 0 HD12 ILE A 101 8.453 -14.620 -3.382 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.963 -14.937 -2.461 1.00 0.00 H new ATOM 1579 N ALA A 102 11.606 -12.748 0.688 1.00 0.00 N ATOM 1580 CA ALA A 102 12.425 -13.031 1.863 1.00 0.00 C ATOM 1581 C ALA A 102 12.459 -11.817 2.797 1.00 0.00 C ATOM 1582 O ALA A 102 12.046 -10.720 2.420 1.00 0.00 O ATOM 1583 CB ALA A 102 13.857 -13.417 1.416 1.00 0.00 C ATOM 0 H ALA A 102 11.542 -11.761 0.439 1.00 0.00 H new ATOM 0 HA ALA A 102 11.988 -13.866 2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 102 14.468 -13.628 2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 102 13.814 -14.303 0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 102 14.298 -12.592 0.857 1.00 0.00 H new ATOM 1589 N PRO A 103 12.967 -11.995 3.991 1.00 0.00 N ATOM 1590 CA PRO A 103 13.083 -10.891 4.984 1.00 0.00 C ATOM 1591 C PRO A 103 13.664 -9.617 4.367 1.00 0.00 C ATOM 1592 O PRO A 103 13.216 -8.511 4.669 1.00 0.00 O ATOM 1593 CB PRO A 103 14.048 -11.463 6.035 1.00 0.00 C ATOM 1594 CG PRO A 103 13.854 -12.946 5.982 1.00 0.00 C ATOM 1595 CD PRO A 103 13.464 -13.278 4.536 1.00 0.00 C ATOM 0 HA PRO A 103 12.113 -10.598 5.387 1.00 0.00 H new ATOM 0 HB2 PRO A 103 15.080 -11.193 5.810 1.00 0.00 H new ATOM 0 HB3 PRO A 103 13.825 -11.072 7.028 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.767 -13.468 6.268 1.00 0.00 H new ATOM 0 HG3 PRO A 103 13.076 -13.261 6.677 1.00 0.00 H new ATOM 0 HD2 PRO A 103 14.318 -13.648 3.968 1.00 0.00 H new ATOM 0 HD3 PRO A 103 12.696 -14.051 4.498 1.00 0.00 H new ATOM 1603 N ARG A 104 14.664 -9.781 3.502 1.00 0.00 N ATOM 1604 CA ARG A 104 15.307 -8.640 2.844 1.00 0.00 C ATOM 1605 C ARG A 104 15.018 -8.658 1.351 1.00 0.00 C ATOM 1606 O ARG A 104 15.560 -9.485 0.616 1.00 0.00 O ATOM 1607 CB ARG A 104 16.813 -8.708 3.071 1.00 0.00 C ATOM 1608 CG ARG A 104 17.102 -8.514 4.559 1.00 0.00 C ATOM 1609 CD ARG A 104 18.539 -8.921 4.853 1.00 0.00 C ATOM 1610 NE ARG A 104 19.477 -8.063 4.136 1.00 0.00 N ATOM 1611 CZ ARG A 104 20.785 -8.309 4.150 1.00 0.00 C ATOM 1612 NH1 ARG A 104 21.252 -9.332 4.811 1.00 0.00 N ATOM 1613 NH2 ARG A 104 21.601 -7.524 3.503 1.00 0.00 N ATOM 0 H ARG A 104 15.047 -10.689 3.240 1.00 0.00 H new ATOM 0 HA ARG A 104 14.910 -7.718 3.268 1.00 0.00 H new ATOM 0 HB2 ARG A 104 17.201 -9.669 2.734 1.00 0.00 H new ATOM 0 HB3 ARG A 104 17.317 -7.938 2.486 1.00 0.00 H new ATOM 0 HG2 ARG A 104 16.943 -7.473 4.839 1.00 0.00 H new ATOM 0 HG3 ARG A 104 16.414 -9.113 5.155 1.00 0.00 H new ATOM 0 HD2 ARG A 104 18.728 -8.858 5.925 1.00 0.00 H new ATOM 0 HD3 ARG A 104 18.694 -9.960 4.562 1.00 0.00 H new ATOM 0 HE ARG A 104 19.124 -7.260 3.615 1.00 0.00 H new ATOM 0 HH11 ARG A 104 20.614 -9.945 5.319 1.00 0.00 H new ATOM 0 HH12 ARG A 104 22.255 -9.519 4.820 1.00 0.00 H new ATOM 0 HH21 ARG A 104 21.237 -6.723 2.987 1.00 0.00 H new ATOM 0 HH22 ARG A 104 22.604 -7.711 3.513 1.00 0.00 H new ATOM 1627 N MET A 105 14.159 -7.744 0.906 1.00 0.00 N ATOM 1628 CA MET A 105 13.800 -7.662 -0.508 1.00 0.00 C ATOM 1629 C MET A 105 13.716 -6.209 -0.945 1.00 0.00 C ATOM 1630 O MET A 105 13.268 -5.346 -0.189 1.00 0.00 O ATOM 1631 CB MET A 105 12.453 -8.346 -0.744 1.00 0.00 C ATOM 1632 CG MET A 105 11.434 -7.849 0.280 1.00 0.00 C ATOM 1633 SD MET A 105 9.812 -8.564 -0.086 1.00 0.00 S ATOM 1634 CE MET A 105 8.836 -7.449 0.952 1.00 0.00 C ATOM 0 H MET A 105 13.701 -7.053 1.500 1.00 0.00 H new ATOM 0 HA MET A 105 14.569 -8.166 -1.093 1.00 0.00 H new ATOM 0 HB2 MET A 105 12.100 -8.136 -1.754 1.00 0.00 H new ATOM 0 HB3 MET A 105 12.565 -9.427 -0.664 1.00 0.00 H new ATOM 0 HG2 MET A 105 11.748 -8.128 1.286 1.00 0.00 H new ATOM 0 HG3 MET A 105 11.378 -6.761 0.254 1.00 0.00 H new ATOM 0 HE1 MET A 105 7.781 -7.713 0.878 1.00 0.00 H new ATOM 0 HE2 MET A 105 9.161 -7.540 1.989 1.00 0.00 H new ATOM 0 HE3 MET A 105 8.978 -6.422 0.616 1.00 0.00 H new ATOM 1644 N TYR A 106 14.150 -5.939 -2.175 1.00 0.00 N ATOM 1645 CA TYR A 106 14.119 -4.585 -2.710 1.00 0.00 C ATOM 1646 C TYR A 106 12.875 -4.389 -3.560 1.00 0.00 C ATOM 1647 O TYR A 106 12.688 -5.079 -4.567 1.00 0.00 O ATOM 1648 CB TYR A 106 15.359 -4.334 -3.571 1.00 0.00 C ATOM 1649 CG TYR A 106 15.320 -2.923 -4.114 1.00 0.00 C ATOM 1650 CD1 TYR A 106 15.691 -1.850 -3.296 1.00 0.00 C ATOM 1651 CD2 TYR A 106 14.912 -2.689 -5.434 1.00 0.00 C ATOM 1652 CE1 TYR A 106 15.659 -0.544 -3.797 1.00 0.00 C ATOM 1653 CE2 TYR A 106 14.879 -1.383 -5.936 1.00 0.00 C ATOM 1654 CZ TYR A 106 15.253 -0.310 -5.119 1.00 0.00 C ATOM 1655 OH TYR A 106 15.218 0.978 -5.611 1.00 0.00 O ATOM 0 H TYR A 106 14.525 -6.639 -2.815 1.00 0.00 H new ATOM 0 HA TYR A 106 14.105 -3.882 -1.877 1.00 0.00 H new ATOM 0 HB2 TYR A 106 16.262 -4.482 -2.979 1.00 0.00 H new ATOM 0 HB3 TYR A 106 15.395 -5.050 -4.392 1.00 0.00 H new ATOM 0 HD1 TYR A 106 16.002 -2.030 -2.278 1.00 0.00 H new ATOM 0 HD2 TYR A 106 14.623 -3.517 -6.064 1.00 0.00 H new ATOM 0 HE1 TYR A 106 15.947 0.284 -3.166 1.00 0.00 H new ATOM 0 HE2 TYR A 106 14.565 -1.203 -6.954 1.00 0.00 H new ATOM 0 HH TYR A 106 14.916 0.964 -6.543 1.00 0.00 H new ATOM 1665 N CYS A 107 12.026 -3.444 -3.147 1.00 0.00 N ATOM 1666 CA CYS A 107 10.784 -3.139 -3.864 1.00 0.00 C ATOM 1667 C CYS A 107 10.765 -1.679 -4.297 1.00 0.00 C ATOM 1668 O CYS A 107 10.766 -0.772 -3.465 1.00 0.00 O ATOM 1669 CB CYS A 107 9.576 -3.417 -2.969 1.00 0.00 C ATOM 1670 SG CYS A 107 8.088 -3.516 -3.993 1.00 0.00 S ATOM 0 H CYS A 107 12.177 -2.874 -2.315 1.00 0.00 H new ATOM 0 HA CYS A 107 10.734 -3.775 -4.748 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.719 -4.350 -2.424 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.469 -2.627 -2.226 1.00 0.00 H new ATOM 0 HG CYS A 107 7.057 -3.755 -3.238 1.00 0.00 H new ATOM 1676 N SER A 108 10.744 -1.464 -5.606 1.00 0.00 N ATOM 1677 CA SER A 108 10.724 -0.108 -6.152 1.00 0.00 C ATOM 1678 C SER A 108 10.532 -0.139 -7.665 1.00 0.00 C ATOM 1679 O SER A 108 10.456 -1.206 -8.274 1.00 0.00 O ATOM 1680 CB SER A 108 12.029 0.615 -5.814 1.00 0.00 C ATOM 1681 OG SER A 108 11.863 2.011 -6.022 1.00 0.00 O ATOM 0 H SER A 108 10.740 -2.204 -6.308 1.00 0.00 H new ATOM 0 HA SER A 108 9.888 0.428 -5.703 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.307 0.421 -4.778 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.839 0.237 -6.438 1.00 0.00 H new ATOM 0 HG SER A 108 12.698 2.476 -5.804 1.00 0.00 H new ATOM 1687 N PHE A 109 10.458 1.044 -8.269 1.00 0.00 N ATOM 1688 CA PHE A 109 10.280 1.143 -9.715 1.00 0.00 C ATOM 1689 C PHE A 109 11.442 0.477 -10.443 1.00 0.00 C ATOM 1690 O PHE A 109 11.239 -0.260 -11.408 1.00 0.00 O ATOM 1691 CB PHE A 109 10.193 2.611 -10.128 1.00 0.00 C ATOM 1692 CG PHE A 109 9.918 2.699 -11.612 1.00 0.00 C ATOM 1693 CD1 PHE A 109 8.642 2.397 -12.107 1.00 0.00 C ATOM 1694 CD2 PHE A 109 10.936 3.079 -12.496 1.00 0.00 C ATOM 1695 CE1 PHE A 109 8.386 2.476 -13.481 1.00 0.00 C ATOM 1696 CE2 PHE A 109 10.679 3.160 -13.871 1.00 0.00 C ATOM 1697 CZ PHE A 109 9.405 2.859 -14.362 1.00 0.00 C ATOM 0 H PHE A 109 10.518 1.940 -7.785 1.00 0.00 H new ATOM 0 HA PHE A 109 9.356 0.633 -9.986 1.00 0.00 H new ATOM 0 HB2 PHE A 109 9.401 3.111 -9.570 1.00 0.00 H new ATOM 0 HB3 PHE A 109 11.125 3.124 -9.888 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.855 2.103 -11.428 1.00 0.00 H new ATOM 0 HD2 PHE A 109 11.921 3.310 -12.117 1.00 0.00 H new ATOM 0 HE1 PHE A 109 7.403 2.242 -13.862 1.00 0.00 H new ATOM 0 HE2 PHE A 109 11.464 3.455 -14.551 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.207 2.922 -15.422 1.00 0.00 H new ATOM 1707 N SER A 110 12.659 0.747 -9.981 1.00 0.00 N ATOM 1708 CA SER A 110 13.846 0.173 -10.603 1.00 0.00 C ATOM 1709 C SER A 110 13.738 -1.341 -10.631 1.00 0.00 C ATOM 1710 O SER A 110 13.167 -1.950 -9.727 1.00 0.00 O ATOM 1711 CB SER A 110 15.094 0.578 -9.819 1.00 0.00 C ATOM 1712 OG SER A 110 15.412 1.931 -10.110 1.00 0.00 O ATOM 0 H SER A 110 12.848 1.355 -9.184 1.00 0.00 H new ATOM 0 HA SER A 110 13.922 0.548 -11.624 1.00 0.00 H new ATOM 0 HB2 SER A 110 14.922 0.455 -8.750 1.00 0.00 H new ATOM 0 HB3 SER A 110 15.930 -0.069 -10.084 1.00 0.00 H new ATOM 0 HG SER A 110 15.543 2.036 -11.076 1.00 0.00 H new ATOM 1718 N ALA A 111 14.287 -1.947 -11.685 1.00 0.00 N ATOM 1719 CA ALA A 111 14.246 -3.404 -11.843 1.00 0.00 C ATOM 1720 C ALA A 111 15.615 -4.019 -11.536 1.00 0.00 C ATOM 1721 O ALA A 111 16.611 -3.310 -11.393 1.00 0.00 O ATOM 1722 CB ALA A 111 13.800 -3.764 -13.283 1.00 0.00 C ATOM 0 H ALA A 111 14.764 -1.455 -12.440 1.00 0.00 H new ATOM 0 HA ALA A 111 13.524 -3.814 -11.136 1.00 0.00 H new ATOM 0 HB1 ALA A 111 13.771 -4.848 -13.395 1.00 0.00 H new ATOM 0 HB2 ALA A 111 12.808 -3.354 -13.470 1.00 0.00 H new ATOM 0 HB3 ALA A 111 14.507 -3.344 -13.999 1.00 0.00 H new ATOM 1728 N PRO A 112 15.678 -5.322 -11.448 1.00 0.00 N ATOM 1729 CA PRO A 112 16.955 -6.042 -11.170 1.00 0.00 C ATOM 1730 C PRO A 112 18.076 -5.611 -12.120 1.00 0.00 C ATOM 1731 O PRO A 112 19.222 -5.441 -11.704 1.00 0.00 O ATOM 1732 CB PRO A 112 16.593 -7.522 -11.388 1.00 0.00 C ATOM 1733 CG PRO A 112 15.115 -7.606 -11.171 1.00 0.00 C ATOM 1734 CD PRO A 112 14.541 -6.253 -11.597 1.00 0.00 C ATOM 0 HA PRO A 112 17.334 -5.834 -10.169 1.00 0.00 H new ATOM 0 HB2 PRO A 112 16.862 -7.848 -12.393 1.00 0.00 H new ATOM 0 HB3 PRO A 112 17.130 -8.165 -10.690 1.00 0.00 H new ATOM 0 HG2 PRO A 112 14.681 -8.415 -11.759 1.00 0.00 H new ATOM 0 HG3 PRO A 112 14.887 -7.814 -10.126 1.00 0.00 H new ATOM 0 HD2 PRO A 112 14.178 -6.279 -12.624 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.700 -5.960 -10.969 1.00 0.00 H new ATOM 1742 N ASP A 113 17.738 -5.442 -13.397 1.00 0.00 N ATOM 1743 CA ASP A 113 18.727 -5.042 -14.392 1.00 0.00 C ATOM 1744 C ASP A 113 18.879 -3.524 -14.416 1.00 0.00 C ATOM 1745 O ASP A 113 19.786 -2.990 -15.056 1.00 0.00 O ATOM 1746 CB ASP A 113 18.301 -5.534 -15.776 1.00 0.00 C ATOM 1747 CG ASP A 113 19.446 -5.356 -16.768 1.00 0.00 C ATOM 1748 OD1 ASP A 113 20.472 -4.832 -16.370 1.00 0.00 O ATOM 1749 OD2 ASP A 113 19.279 -5.747 -17.914 1.00 0.00 O ATOM 0 H ASP A 113 16.795 -5.575 -13.763 1.00 0.00 H new ATOM 0 HA ASP A 113 19.685 -5.488 -14.125 1.00 0.00 H new ATOM 0 HB2 ASP A 113 18.013 -6.584 -15.725 1.00 0.00 H new ATOM 0 HB3 ASP A 113 17.426 -4.979 -16.115 1.00 0.00 H new ATOM 1754 N ASP A 114 17.983 -2.836 -13.720 1.00 0.00 N ATOM 1755 CA ASP A 114 18.024 -1.379 -13.670 1.00 0.00 C ATOM 1756 C ASP A 114 19.116 -0.906 -12.716 1.00 0.00 C ATOM 1757 O ASP A 114 18.885 -0.938 -11.518 1.00 0.00 O ATOM 1758 CB ASP A 114 16.671 -0.828 -13.210 1.00 0.00 C ATOM 1759 CG ASP A 114 16.666 0.693 -13.310 1.00 0.00 C ATOM 1760 OD1 ASP A 114 17.718 1.255 -13.573 1.00 0.00 O ATOM 1761 OD2 ASP A 114 15.609 1.276 -13.127 1.00 0.00 O ATOM 0 H ASP A 114 17.224 -3.259 -13.186 1.00 0.00 H new ATOM 0 HA ASP A 114 18.244 -1.009 -14.672 1.00 0.00 H new ATOM 0 HB2 ASP A 114 15.872 -1.244 -13.824 1.00 0.00 H new ATOM 0 HB3 ASP A 114 16.475 -1.134 -12.182 1.00 0.00 H new