USER MOD reduce.3.24.130724 H: found=0, std=0, add=446, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 447 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 Single : A 22 THR OG1 : rot -170:sc=-0.000377 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc=-0.00693 X(o=-0.0069,f=-0.0069) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.103 K(o=-0.1,f=1.1) USER MOD Single : A 49 ASN : amide:sc= -1.46 K(o=-1.5,f=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -137:sc= 0 (180deg=-0.546) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0.225 K(o=0.22,f=-6.6!) USER MOD Single : A 58 ASN : amide:sc= -0.148 K(o=-0.15,f=-2.5!) USER MOD Single : A 61 GLN : amide:sc= -0.21 K(o=-0.21,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 329 N LEU A 21 9.868 -6.242 11.743 1.00 55.43 N ATOM 330 CA LEU A 21 10.288 -5.355 10.627 1.00 35.40 C ATOM 331 C LEU A 21 10.855 -6.108 9.399 1.00 75.50 C ATOM 332 O LEU A 21 12.043 -6.447 9.339 1.00 73.14 O ATOM 333 CB LEU A 21 11.314 -4.291 11.122 1.00 30.31 C ATOM 334 CG LEU A 21 10.791 -3.246 12.159 1.00 64.53 C ATOM 335 CD1 LEU A 21 11.903 -2.250 12.548 1.00 32.34 C ATOM 336 CD2 LEU A 21 9.543 -2.495 11.632 1.00 62.32 C ATOM 0 HA LEU A 21 9.376 -4.863 10.289 1.00 35.40 H new ATOM 0 HB2 LEU A 21 12.162 -4.815 11.564 1.00 30.31 H new ATOM 0 HB3 LEU A 21 11.690 -3.750 10.254 1.00 30.31 H new ATOM 0 HG LEU A 21 10.494 -3.795 13.053 1.00 64.53 H new ATOM 0 HD11 LEU A 21 11.513 -1.533 13.271 1.00 32.34 H new ATOM 0 HD12 LEU A 21 12.739 -2.792 12.990 1.00 32.34 H new ATOM 0 HD13 LEU A 21 12.244 -1.720 11.659 1.00 32.34 H new ATOM 0 HD21 LEU A 21 9.208 -1.777 12.380 1.00 62.32 H new ATOM 0 HD22 LEU A 21 9.797 -1.969 10.712 1.00 62.32 H new ATOM 0 HD23 LEU A 21 8.745 -3.210 11.433 1.00 62.32 H new ATOM 348 N THR A 22 9.954 -6.410 8.458 1.00 23.04 N ATOM 349 CA THR A 22 10.306 -6.837 7.086 1.00 64.22 C ATOM 350 C THR A 22 10.758 -5.627 6.243 1.00 2.33 C ATOM 351 O THR A 22 10.651 -4.483 6.693 1.00 34.41 O ATOM 352 CB THR A 22 9.077 -7.498 6.382 1.00 54.35 C ATOM 353 OG1 THR A 22 7.987 -6.553 6.324 1.00 4.00 O ATOM 354 CG2 THR A 22 8.621 -8.779 7.101 1.00 62.24 C ATOM 0 H THR A 22 8.948 -6.367 8.622 1.00 23.04 H new ATOM 0 HA THR A 22 11.118 -7.559 7.163 1.00 64.22 H new ATOM 0 HB THR A 22 9.382 -7.779 5.374 1.00 54.35 H new ATOM 0 HG1 THR A 22 7.172 -7.011 6.029 1.00 4.00 H new ATOM 0 HG21 THR A 22 7.765 -9.205 6.578 1.00 62.24 H new ATOM 0 HG22 THR A 22 9.437 -9.502 7.110 1.00 62.24 H new ATOM 0 HG23 THR A 22 8.338 -8.540 8.126 1.00 62.24 H new ATOM 362 N ARG A 23 11.240 -5.883 5.003 1.00 75.21 N ATOM 363 CA ARG A 23 11.545 -4.801 4.026 1.00 43.25 C ATOM 364 C ARG A 23 10.297 -3.919 3.766 1.00 52.11 C ATOM 365 O ARG A 23 10.409 -2.700 3.654 1.00 52.51 O ATOM 366 CB ARG A 23 12.063 -5.393 2.689 1.00 52.23 C ATOM 367 CG ARG A 23 13.398 -6.161 2.787 1.00 42.01 C ATOM 368 CD ARG A 23 14.581 -5.267 3.201 1.00 62.34 C ATOM 369 NE ARG A 23 15.842 -6.033 3.249 1.00 60.21 N ATOM 370 CZ ARG A 23 16.858 -5.910 2.416 1.00 32.51 C ATOM 371 NH1 ARG A 23 16.853 -5.029 1.459 1.00 24.11 N ATOM 372 NH2 ARG A 23 17.889 -6.677 2.558 1.00 4.25 N ATOM 0 H ARG A 23 11.426 -6.823 4.654 1.00 75.21 H new ATOM 0 HA ARG A 23 12.327 -4.177 4.458 1.00 43.25 H new ATOM 0 HB2 ARG A 23 11.304 -6.065 2.289 1.00 52.23 H new ATOM 0 HB3 ARG A 23 12.181 -4.581 1.971 1.00 52.23 H new ATOM 0 HG2 ARG A 23 13.292 -6.971 3.509 1.00 42.01 H new ATOM 0 HG3 ARG A 23 13.617 -6.620 1.823 1.00 42.01 H new ATOM 0 HD2 ARG A 23 14.681 -4.442 2.495 1.00 62.34 H new ATOM 0 HD3 ARG A 23 14.383 -4.828 4.179 1.00 62.34 H new ATOM 0 HE ARG A 23 15.937 -6.721 3.996 1.00 60.21 H new ATOM 0 HH11 ARG A 23 16.050 -4.412 1.338 1.00 24.11 H new ATOM 0 HH12 ARG A 23 17.652 -4.956 0.829 1.00 24.11 H new ATOM 0 HH21 ARG A 23 17.911 -7.368 3.308 1.00 4.25 H new ATOM 0 HH22 ARG A 23 18.680 -6.591 1.920 1.00 4.25 H new ATOM 386 N ASP A 24 9.116 -4.568 3.709 1.00 10.31 N ATOM 387 CA ASP A 24 7.810 -3.886 3.563 1.00 70.31 C ATOM 388 C ASP A 24 7.554 -2.868 4.701 1.00 34.44 C ATOM 389 O ASP A 24 7.186 -1.735 4.425 1.00 63.44 O ATOM 390 CB ASP A 24 6.671 -4.929 3.516 1.00 23.22 C ATOM 391 CG ASP A 24 6.812 -5.907 2.343 1.00 33.05 C ATOM 392 OD1 ASP A 24 7.505 -6.937 2.492 1.00 53.43 O ATOM 393 OD2 ASP A 24 6.246 -5.652 1.268 1.00 24.11 O ATOM 0 H ASP A 24 9.039 -5.584 3.763 1.00 10.31 H new ATOM 0 HA ASP A 24 7.834 -3.329 2.627 1.00 70.31 H new ATOM 0 HB2 ASP A 24 6.658 -5.489 4.451 1.00 23.22 H new ATOM 0 HB3 ASP A 24 5.714 -4.413 3.440 1.00 23.22 H new ATOM 398 N GLU A 25 7.779 -3.281 5.971 1.00 45.43 N ATOM 399 CA GLU A 25 7.582 -2.389 7.150 1.00 11.41 C ATOM 400 C GLU A 25 8.616 -1.235 7.197 1.00 60.03 C ATOM 401 O GLU A 25 8.277 -0.113 7.586 1.00 64.25 O ATOM 402 CB GLU A 25 7.619 -3.182 8.486 1.00 64.13 C ATOM 403 CG GLU A 25 6.421 -4.129 8.707 1.00 15.43 C ATOM 404 CD GLU A 25 6.289 -4.634 10.160 1.00 65.42 C ATOM 405 OE1 GLU A 25 6.029 -3.809 11.064 1.00 41.41 O ATOM 406 OE2 GLU A 25 6.427 -5.849 10.398 1.00 13.22 O ATOM 0 H GLU A 25 8.096 -4.221 6.210 1.00 45.43 H new ATOM 0 HA GLU A 25 6.591 -1.951 7.030 1.00 11.41 H new ATOM 0 HB2 GLU A 25 8.538 -3.767 8.520 1.00 64.13 H new ATOM 0 HB3 GLU A 25 7.661 -2.473 9.313 1.00 64.13 H new ATOM 0 HG2 GLU A 25 5.504 -3.611 8.427 1.00 15.43 H new ATOM 0 HG3 GLU A 25 6.519 -4.986 8.041 1.00 15.43 H new ATOM 413 N LEU A 26 9.870 -1.527 6.804 1.00 21.40 N ATOM 414 CA LEU A 26 10.956 -0.515 6.738 1.00 53.34 C ATOM 415 C LEU A 26 10.619 0.618 5.736 1.00 2.34 C ATOM 416 O LEU A 26 10.852 1.796 6.011 1.00 52.04 O ATOM 417 CB LEU A 26 12.294 -1.190 6.341 1.00 42.32 C ATOM 418 CG LEU A 26 12.852 -2.240 7.354 1.00 33.54 C ATOM 419 CD1 LEU A 26 14.073 -2.985 6.775 1.00 51.34 C ATOM 420 CD2 LEU A 26 13.185 -1.582 8.715 1.00 41.51 C ATOM 0 H LEU A 26 10.164 -2.463 6.524 1.00 21.40 H new ATOM 0 HA LEU A 26 11.054 -0.070 7.728 1.00 53.34 H new ATOM 0 HB2 LEU A 26 12.160 -1.679 5.376 1.00 42.32 H new ATOM 0 HB3 LEU A 26 13.045 -0.412 6.202 1.00 42.32 H new ATOM 0 HG LEU A 26 12.071 -2.980 7.528 1.00 33.54 H new ATOM 0 HD11 LEU A 26 14.437 -3.708 7.504 1.00 51.34 H new ATOM 0 HD12 LEU A 26 13.783 -3.505 5.862 1.00 51.34 H new ATOM 0 HD13 LEU A 26 14.863 -2.269 6.549 1.00 51.34 H new ATOM 0 HD21 LEU A 26 13.571 -2.337 9.399 1.00 41.51 H new ATOM 0 HD22 LEU A 26 13.936 -0.806 8.570 1.00 41.51 H new ATOM 0 HD23 LEU A 26 12.282 -1.139 9.136 1.00 41.51 H new ATOM 432 N ARG A 27 10.070 0.227 4.575 1.00 71.03 N ATOM 433 CA ARG A 27 9.646 1.161 3.507 1.00 41.41 C ATOM 434 C ARG A 27 8.299 1.866 3.847 1.00 12.25 C ATOM 435 O ARG A 27 8.128 3.053 3.552 1.00 54.43 O ATOM 436 CB ARG A 27 9.537 0.378 2.170 1.00 44.20 C ATOM 437 CG ARG A 27 10.879 -0.227 1.676 1.00 53.14 C ATOM 438 CD ARG A 27 10.699 -1.325 0.603 1.00 3.21 C ATOM 439 NE ARG A 27 10.117 -0.834 -0.658 1.00 1.35 N ATOM 440 CZ ARG A 27 9.539 -1.593 -1.574 1.00 63.00 C ATOM 441 NH1 ARG A 27 9.380 -2.868 -1.405 1.00 62.14 N ATOM 442 NH2 ARG A 27 9.093 -1.061 -2.662 1.00 13.12 N ATOM 0 H ARG A 27 9.904 -0.753 4.344 1.00 71.03 H new ATOM 0 HA ARG A 27 10.394 1.948 3.416 1.00 41.41 H new ATOM 0 HB2 ARG A 27 8.811 -0.426 2.291 1.00 44.20 H new ATOM 0 HB3 ARG A 27 9.148 1.046 1.401 1.00 44.20 H new ATOM 0 HG2 ARG A 27 11.500 0.570 1.269 1.00 53.14 H new ATOM 0 HG3 ARG A 27 11.416 -0.646 2.527 1.00 53.14 H new ATOM 0 HD2 ARG A 27 11.668 -1.777 0.393 1.00 3.21 H new ATOM 0 HD3 ARG A 27 10.061 -2.112 1.005 1.00 3.21 H new ATOM 0 HE ARG A 27 10.163 0.169 -0.839 1.00 1.35 H new ATOM 0 HH11 ARG A 27 9.705 -3.313 -0.547 1.00 62.14 H new ATOM 0 HH12 ARG A 27 8.930 -3.426 -2.130 1.00 62.14 H new ATOM 0 HH21 ARG A 27 9.187 -0.057 -2.814 1.00 13.12 H new ATOM 0 HH22 ARG A 27 8.647 -1.645 -3.370 1.00 13.12 H new ATOM 456 N ALA A 28 7.363 1.121 4.481 1.00 24.41 N ATOM 457 CA ALA A 28 5.990 1.607 4.795 1.00 63.21 C ATOM 458 C ALA A 28 5.996 2.692 5.884 1.00 40.13 C ATOM 459 O ALA A 28 5.473 3.787 5.684 1.00 13.31 O ATOM 460 CB ALA A 28 5.068 0.434 5.200 1.00 53.42 C ATOM 0 H ALA A 28 7.535 0.165 4.791 1.00 24.41 H new ATOM 0 HA ALA A 28 5.596 2.061 3.886 1.00 63.21 H new ATOM 0 HB1 ALA A 28 4.072 0.815 5.424 1.00 53.42 H new ATOM 0 HB2 ALA A 28 5.007 -0.281 4.379 1.00 53.42 H new ATOM 0 HB3 ALA A 28 5.474 -0.060 6.082 1.00 53.42 H new ATOM 466 N LYS A 29 6.631 2.379 7.021 1.00 73.23 N ATOM 467 CA LYS A 29 6.727 3.302 8.174 1.00 75.44 C ATOM 468 C LYS A 29 7.652 4.511 7.852 1.00 72.44 C ATOM 469 O LYS A 29 7.522 5.579 8.459 1.00 22.33 O ATOM 470 CB LYS A 29 7.198 2.509 9.432 1.00 22.43 C ATOM 471 CG LYS A 29 7.025 3.242 10.789 1.00 2.32 C ATOM 472 CD LYS A 29 5.555 3.681 11.065 1.00 35.11 C ATOM 473 CE LYS A 29 4.546 2.509 11.127 1.00 74.33 C ATOM 474 NZ LYS A 29 4.829 1.579 12.248 1.00 73.30 N ATOM 0 H LYS A 29 7.094 1.483 7.174 1.00 73.23 H new ATOM 0 HA LYS A 29 5.744 3.722 8.386 1.00 75.44 H new ATOM 0 HB2 LYS A 29 6.648 1.569 9.474 1.00 22.43 H new ATOM 0 HB3 LYS A 29 8.251 2.257 9.307 1.00 22.43 H new ATOM 0 HG2 LYS A 29 7.359 2.587 11.594 1.00 2.32 H new ATOM 0 HG3 LYS A 29 7.669 4.121 10.805 1.00 2.32 H new ATOM 0 HD2 LYS A 29 5.521 4.226 12.009 1.00 35.11 H new ATOM 0 HD3 LYS A 29 5.242 4.375 10.285 1.00 35.11 H new ATOM 0 HE2 LYS A 29 3.537 2.907 11.234 1.00 74.33 H new ATOM 0 HE3 LYS A 29 4.573 1.959 10.186 1.00 74.33 H new ATOM 0 HZ1 LYS A 29 4.127 0.812 12.248 1.00 73.30 H new ATOM 0 HZ2 LYS A 29 5.781 1.177 12.134 1.00 73.30 H new ATOM 0 HZ3 LYS A 29 4.777 2.096 13.149 1.00 73.30 H new ATOM 488 N ALA A 30 8.575 4.335 6.884 1.00 53.00 N ATOM 489 CA ALA A 30 9.414 5.440 6.352 1.00 64.05 C ATOM 490 C ALA A 30 8.576 6.453 5.523 1.00 12.34 C ATOM 491 O ALA A 30 8.730 7.671 5.677 1.00 1.42 O ATOM 492 CB ALA A 30 10.558 4.876 5.499 1.00 21.12 C ATOM 0 H ALA A 30 8.762 3.432 6.449 1.00 53.00 H new ATOM 0 HA ALA A 30 9.832 5.976 7.205 1.00 64.05 H new ATOM 0 HB1 ALA A 30 11.165 5.696 5.116 1.00 21.12 H new ATOM 0 HB2 ALA A 30 11.179 4.221 6.110 1.00 21.12 H new ATOM 0 HB3 ALA A 30 10.145 4.310 4.664 1.00 21.12 H new ATOM 498 N LEU A 31 7.687 5.926 4.652 1.00 10.35 N ATOM 499 CA LEU A 31 6.772 6.753 3.812 1.00 41.13 C ATOM 500 C LEU A 31 5.475 7.156 4.566 1.00 10.23 C ATOM 501 O LEU A 31 4.636 7.882 4.015 1.00 73.11 O ATOM 502 CB LEU A 31 6.430 5.984 2.505 1.00 25.44 C ATOM 503 CG LEU A 31 7.619 5.785 1.505 1.00 71.31 C ATOM 504 CD1 LEU A 31 7.214 4.891 0.317 1.00 23.33 C ATOM 505 CD2 LEU A 31 8.163 7.143 1.002 1.00 53.12 C ATOM 0 H LEU A 31 7.578 4.922 4.507 1.00 10.35 H new ATOM 0 HA LEU A 31 7.291 7.680 3.568 1.00 41.13 H new ATOM 0 HB2 LEU A 31 6.037 5.003 2.774 1.00 25.44 H new ATOM 0 HB3 LEU A 31 5.631 6.517 1.990 1.00 25.44 H new ATOM 0 HG LEU A 31 8.417 5.280 2.050 1.00 71.31 H new ATOM 0 HD11 LEU A 31 8.063 4.774 -0.357 1.00 23.33 H new ATOM 0 HD12 LEU A 31 6.907 3.913 0.686 1.00 23.33 H new ATOM 0 HD13 LEU A 31 6.386 5.353 -0.220 1.00 23.33 H new ATOM 0 HD21 LEU A 31 8.987 6.971 0.310 1.00 53.12 H new ATOM 0 HD22 LEU A 31 7.368 7.687 0.492 1.00 53.12 H new ATOM 0 HD23 LEU A 31 8.517 7.729 1.850 1.00 53.12 H new ATOM 517 N HIS A 32 5.339 6.673 5.823 1.00 61.34 N ATOM 518 CA HIS A 32 4.205 6.983 6.724 1.00 63.45 C ATOM 519 C HIS A 32 2.855 6.442 6.162 1.00 61.31 C ATOM 520 O HIS A 32 1.899 7.193 5.922 1.00 63.54 O ATOM 521 CB HIS A 32 4.160 8.511 7.060 1.00 23.32 C ATOM 522 CG HIS A 32 3.174 8.910 8.133 1.00 42.43 C ATOM 523 ND1 HIS A 32 3.290 8.505 9.446 1.00 73.01 N ATOM 524 CD2 HIS A 32 2.053 9.681 8.091 1.00 0.44 C ATOM 525 CE1 HIS A 32 2.300 8.998 10.151 1.00 31.34 C ATOM 526 NE2 HIS A 32 1.535 9.716 9.358 1.00 32.12 N ATOM 0 H HIS A 32 6.025 6.047 6.246 1.00 61.34 H new ATOM 0 HA HIS A 32 4.366 6.458 7.666 1.00 63.45 H new ATOM 0 HB2 HIS A 32 5.156 8.827 7.370 1.00 23.32 H new ATOM 0 HB3 HIS A 32 3.921 9.059 6.149 1.00 23.32 H new ATOM 0 HD2 HIS A 32 1.647 10.174 7.220 1.00 0.44 H new ATOM 0 HE1 HIS A 32 2.140 8.840 11.207 1.00 31.34 H new ATOM 0 HE2 HIS A 32 0.693 10.217 9.641 1.00 32.12 H new ATOM 535 N ILE A 33 2.814 5.119 5.928 1.00 30.03 N ATOM 536 CA ILE A 33 1.580 4.394 5.544 1.00 75.32 C ATOM 537 C ILE A 33 0.752 4.074 6.825 1.00 30.13 C ATOM 538 O ILE A 33 1.244 3.365 7.713 1.00 30.55 O ATOM 539 CB ILE A 33 1.921 3.056 4.772 1.00 12.32 C ATOM 540 CG1 ILE A 33 2.770 3.347 3.486 1.00 44.22 C ATOM 541 CG2 ILE A 33 0.640 2.247 4.418 1.00 35.11 C ATOM 542 CD1 ILE A 33 2.081 4.211 2.438 1.00 54.52 C ATOM 0 H ILE A 33 3.634 4.517 5.999 1.00 30.03 H new ATOM 0 HA ILE A 33 0.997 5.027 4.875 1.00 75.32 H new ATOM 0 HB ILE A 33 2.519 2.441 5.445 1.00 12.32 H new ATOM 0 HG12 ILE A 33 3.697 3.836 3.785 1.00 44.22 H new ATOM 0 HG13 ILE A 33 3.044 2.397 3.028 1.00 44.22 H new ATOM 0 HG21 ILE A 33 0.920 1.336 3.889 1.00 35.11 H new ATOM 0 HG22 ILE A 33 0.110 1.986 5.334 1.00 35.11 H new ATOM 0 HG23 ILE A 33 -0.008 2.851 3.783 1.00 35.11 H new ATOM 0 HD11 ILE A 33 2.749 4.355 1.589 1.00 54.52 H new ATOM 0 HD12 ILE A 33 1.168 3.718 2.103 1.00 54.52 H new ATOM 0 HD13 ILE A 33 1.832 5.180 2.872 1.00 54.52 H new ATOM 554 N PRO A 34 -0.515 4.597 6.948 1.00 75.33 N ATOM 555 CA PRO A 34 -1.337 4.448 8.188 1.00 23.55 C ATOM 556 C PRO A 34 -1.940 3.025 8.376 1.00 22.15 C ATOM 557 O PRO A 34 -2.632 2.769 9.367 1.00 44.35 O ATOM 558 CB PRO A 34 -2.447 5.514 7.982 1.00 14.43 C ATOM 559 CG PRO A 34 -2.628 5.570 6.493 1.00 52.30 C ATOM 560 CD PRO A 34 -1.246 5.374 5.900 1.00 41.14 C ATOM 0 HA PRO A 34 -0.743 4.585 9.092 1.00 23.55 H new ATOM 0 HB2 PRO A 34 -3.371 5.230 8.486 1.00 14.43 H new ATOM 0 HB3 PRO A 34 -2.149 6.482 8.384 1.00 14.43 H new ATOM 0 HG2 PRO A 34 -3.313 4.793 6.153 1.00 52.30 H new ATOM 0 HG3 PRO A 34 -3.053 6.526 6.187 1.00 52.30 H new ATOM 0 HD2 PRO A 34 -1.289 4.830 4.956 1.00 41.14 H new ATOM 0 HD3 PRO A 34 -0.759 6.328 5.697 1.00 41.14 H new ATOM 568 N PHE A 35 -1.681 2.118 7.416 1.00 11.15 N ATOM 569 CA PHE A 35 -2.225 0.740 7.416 1.00 52.32 C ATOM 570 C PHE A 35 -1.104 -0.309 7.627 1.00 50.34 C ATOM 571 O PHE A 35 0.067 -0.030 7.325 1.00 52.11 O ATOM 572 CB PHE A 35 -2.940 0.456 6.065 1.00 1.24 C ATOM 573 CG PHE A 35 -3.994 1.489 5.671 1.00 74.34 C ATOM 574 CD1 PHE A 35 -4.940 1.945 6.596 1.00 3.21 C ATOM 575 CD2 PHE A 35 -4.035 2.022 4.379 1.00 52.43 C ATOM 576 CE1 PHE A 35 -5.880 2.885 6.243 1.00 63.30 C ATOM 577 CE2 PHE A 35 -4.979 2.962 4.029 1.00 10.31 C ATOM 578 CZ PHE A 35 -5.903 3.396 4.960 1.00 71.34 C ATOM 0 H PHE A 35 -1.086 2.318 6.612 1.00 11.15 H new ATOM 0 HA PHE A 35 -2.934 0.661 8.240 1.00 52.32 H new ATOM 0 HB2 PHE A 35 -2.189 0.404 5.276 1.00 1.24 H new ATOM 0 HB3 PHE A 35 -3.414 -0.524 6.119 1.00 1.24 H new ATOM 0 HD1 PHE A 35 -4.932 1.553 7.602 1.00 3.21 H new ATOM 0 HD2 PHE A 35 -3.316 1.692 3.644 1.00 52.43 H new ATOM 0 HE1 PHE A 35 -6.602 3.224 6.971 1.00 63.30 H new ATOM 0 HE2 PHE A 35 -4.997 3.360 3.025 1.00 10.31 H new ATOM 0 HZ PHE A 35 -6.642 4.134 4.685 1.00 71.34 H new ATOM 588 N PRO A 36 -1.441 -1.539 8.142 1.00 1.34 N ATOM 589 CA PRO A 36 -0.495 -2.688 8.140 1.00 54.25 C ATOM 590 C PRO A 36 -0.213 -3.220 6.705 1.00 72.50 C ATOM 591 O PRO A 36 -0.950 -2.906 5.755 1.00 74.04 O ATOM 592 CB PRO A 36 -1.226 -3.752 9.006 1.00 44.15 C ATOM 593 CG PRO A 36 -2.679 -3.416 8.859 1.00 60.22 C ATOM 594 CD PRO A 36 -2.736 -1.905 8.797 1.00 13.21 C ATOM 0 HA PRO A 36 0.488 -2.418 8.526 1.00 54.25 H new ATOM 0 HB2 PRO A 36 -1.014 -4.763 8.657 1.00 44.15 H new ATOM 0 HB3 PRO A 36 -0.910 -3.702 10.048 1.00 44.15 H new ATOM 0 HG2 PRO A 36 -3.096 -3.863 7.957 1.00 60.22 H new ATOM 0 HG3 PRO A 36 -3.258 -3.797 9.700 1.00 60.22 H new ATOM 0 HD2 PRO A 36 -3.592 -1.558 8.218 1.00 13.21 H new ATOM 0 HD3 PRO A 36 -2.823 -1.464 9.790 1.00 13.21 H new ATOM 602 N VAL A 37 0.844 -4.047 6.574 1.00 15.12 N ATOM 603 CA VAL A 37 1.264 -4.637 5.274 1.00 74.52 C ATOM 604 C VAL A 37 0.133 -5.515 4.657 1.00 23.23 C ATOM 605 O VAL A 37 -0.086 -5.500 3.438 1.00 73.14 O ATOM 606 CB VAL A 37 2.590 -5.485 5.440 1.00 43.03 C ATOM 607 CG1 VAL A 37 3.103 -6.031 4.087 1.00 70.35 C ATOM 608 CG2 VAL A 37 3.693 -4.658 6.143 1.00 24.54 C ATOM 0 H VAL A 37 1.432 -4.327 7.359 1.00 15.12 H new ATOM 0 HA VAL A 37 1.463 -3.812 4.590 1.00 74.52 H new ATOM 0 HB VAL A 37 2.343 -6.341 6.067 1.00 43.03 H new ATOM 0 HG11 VAL A 37 4.014 -6.606 4.249 1.00 70.35 H new ATOM 0 HG12 VAL A 37 2.343 -6.673 3.642 1.00 70.35 H new ATOM 0 HG13 VAL A 37 3.314 -5.199 3.415 1.00 70.35 H new ATOM 0 HG21 VAL A 37 4.593 -5.264 6.245 1.00 24.54 H new ATOM 0 HG22 VAL A 37 3.917 -3.772 5.549 1.00 24.54 H new ATOM 0 HG23 VAL A 37 3.346 -4.355 7.131 1.00 24.54 H new ATOM 618 N GLU A 38 -0.604 -6.228 5.536 1.00 73.22 N ATOM 619 CA GLU A 38 -1.729 -7.119 5.147 1.00 72.43 C ATOM 620 C GLU A 38 -2.857 -6.362 4.410 1.00 65.30 C ATOM 621 O GLU A 38 -3.404 -6.884 3.449 1.00 32.12 O ATOM 622 CB GLU A 38 -2.336 -7.841 6.388 1.00 32.23 C ATOM 623 CG GLU A 38 -1.449 -8.917 7.054 1.00 34.00 C ATOM 624 CD GLU A 38 -0.127 -8.377 7.616 1.00 60.51 C ATOM 625 OE1 GLU A 38 -0.166 -7.510 8.509 1.00 74.34 O ATOM 626 OE2 GLU A 38 0.952 -8.798 7.153 1.00 3.41 O ATOM 0 H GLU A 38 -0.438 -6.204 6.542 1.00 73.22 H new ATOM 0 HA GLU A 38 -1.303 -7.854 4.464 1.00 72.43 H new ATOM 0 HB2 GLU A 38 -2.581 -7.088 7.137 1.00 32.23 H new ATOM 0 HB3 GLU A 38 -3.274 -8.308 6.088 1.00 32.23 H new ATOM 0 HG2 GLU A 38 -2.010 -9.387 7.862 1.00 34.00 H new ATOM 0 HG3 GLU A 38 -1.230 -9.696 6.323 1.00 34.00 H new ATOM 633 N LYS A 39 -3.200 -5.136 4.867 1.00 4.22 N ATOM 634 CA LYS A 39 -4.301 -4.339 4.265 1.00 51.24 C ATOM 635 C LYS A 39 -4.094 -4.098 2.754 1.00 72.01 C ATOM 636 O LYS A 39 -5.007 -4.319 1.965 1.00 53.20 O ATOM 637 CB LYS A 39 -4.517 -2.985 5.026 1.00 30.35 C ATOM 638 CG LYS A 39 -5.572 -3.013 6.175 1.00 75.41 C ATOM 639 CD LYS A 39 -7.052 -2.821 5.700 1.00 54.33 C ATOM 640 CE LYS A 39 -7.612 -3.971 4.836 1.00 3.35 C ATOM 641 NZ LYS A 39 -9.033 -3.755 4.453 1.00 40.21 N ATOM 0 H LYS A 39 -2.733 -4.675 5.648 1.00 4.22 H new ATOM 0 HA LYS A 39 -5.208 -4.934 4.374 1.00 51.24 H new ATOM 0 HB2 LYS A 39 -3.561 -2.668 5.443 1.00 30.35 H new ATOM 0 HB3 LYS A 39 -4.816 -2.227 4.302 1.00 30.35 H new ATOM 0 HG2 LYS A 39 -5.493 -3.964 6.701 1.00 75.41 H new ATOM 0 HG3 LYS A 39 -5.329 -2.230 6.894 1.00 75.41 H new ATOM 0 HD2 LYS A 39 -7.687 -2.703 6.578 1.00 54.33 H new ATOM 0 HD3 LYS A 39 -7.118 -1.893 5.131 1.00 54.33 H new ATOM 0 HE2 LYS A 39 -7.007 -4.072 3.935 1.00 3.35 H new ATOM 0 HE3 LYS A 39 -7.525 -4.909 5.385 1.00 3.35 H new ATOM 0 HZ1 LYS A 39 -9.362 -4.554 3.874 1.00 40.21 H new ATOM 0 HZ2 LYS A 39 -9.617 -3.685 5.311 1.00 40.21 H new ATOM 0 HZ3 LYS A 39 -9.115 -2.874 3.906 1.00 40.21 H new ATOM 655 N ILE A 40 -2.877 -3.683 2.378 1.00 11.43 N ATOM 656 CA ILE A 40 -2.505 -3.444 0.966 1.00 20.34 C ATOM 657 C ILE A 40 -2.547 -4.774 0.150 1.00 22.43 C ATOM 658 O ILE A 40 -3.022 -4.800 -0.989 1.00 71.45 O ATOM 659 CB ILE A 40 -1.076 -2.751 0.872 1.00 12.33 C ATOM 660 CG1 ILE A 40 -1.132 -1.225 1.271 1.00 73.22 C ATOM 661 CG2 ILE A 40 -0.445 -2.905 -0.532 1.00 34.12 C ATOM 662 CD1 ILE A 40 -1.465 -0.921 2.730 1.00 11.21 C ATOM 0 H ILE A 40 -2.120 -3.502 3.038 1.00 11.43 H new ATOM 0 HA ILE A 40 -3.235 -2.763 0.527 1.00 20.34 H new ATOM 0 HB ILE A 40 -0.442 -3.271 1.590 1.00 12.33 H new ATOM 0 HG12 ILE A 40 -0.167 -0.775 1.039 1.00 73.22 H new ATOM 0 HG13 ILE A 40 -1.873 -0.733 0.641 1.00 73.22 H new ATOM 0 HG21 ILE A 40 0.529 -2.416 -0.549 1.00 34.12 H new ATOM 0 HG22 ILE A 40 -0.324 -3.963 -0.762 1.00 34.12 H new ATOM 0 HG23 ILE A 40 -1.095 -2.444 -1.276 1.00 34.12 H new ATOM 0 HD11 ILE A 40 -1.475 0.158 2.884 1.00 11.21 H new ATOM 0 HD12 ILE A 40 -2.445 -1.331 2.972 1.00 11.21 H new ATOM 0 HD13 ILE A 40 -0.713 -1.373 3.377 1.00 11.21 H new ATOM 674 N ILE A 41 -2.063 -5.864 0.772 1.00 74.11 N ATOM 675 CA ILE A 41 -2.043 -7.225 0.166 1.00 71.43 C ATOM 676 C ILE A 41 -3.473 -7.773 -0.134 1.00 1.53 C ATOM 677 O ILE A 41 -3.737 -8.297 -1.229 1.00 43.31 O ATOM 678 CB ILE A 41 -1.266 -8.221 1.121 1.00 41.33 C ATOM 679 CG1 ILE A 41 0.252 -7.857 1.162 1.00 33.51 C ATOM 680 CG2 ILE A 41 -1.476 -9.711 0.733 1.00 4.15 C ATOM 681 CD1 ILE A 41 1.085 -8.663 2.147 1.00 30.42 C ATOM 0 H ILE A 41 -1.671 -5.835 1.713 1.00 74.11 H new ATOM 0 HA ILE A 41 -1.529 -7.147 -0.792 1.00 71.43 H new ATOM 0 HB ILE A 41 -1.685 -8.104 2.121 1.00 41.33 H new ATOM 0 HG12 ILE A 41 0.668 -7.991 0.164 1.00 33.51 H new ATOM 0 HG13 ILE A 41 0.349 -6.800 1.409 1.00 33.51 H new ATOM 0 HG21 ILE A 41 -0.920 -10.348 1.421 1.00 4.15 H new ATOM 0 HG22 ILE A 41 -2.537 -9.955 0.788 1.00 4.15 H new ATOM 0 HG23 ILE A 41 -1.118 -9.876 -0.283 1.00 4.15 H new ATOM 0 HD11 ILE A 41 2.123 -8.335 2.099 1.00 30.42 H new ATOM 0 HD12 ILE A 41 0.703 -8.511 3.156 1.00 30.42 H new ATOM 0 HD13 ILE A 41 1.027 -9.721 1.892 1.00 30.42 H new ATOM 693 N ASN A 42 -4.383 -7.648 0.856 1.00 42.41 N ATOM 694 CA ASN A 42 -5.738 -8.252 0.798 1.00 72.04 C ATOM 695 C ASN A 42 -6.752 -7.403 -0.007 1.00 44.14 C ATOM 696 O ASN A 42 -7.848 -7.889 -0.314 1.00 13.13 O ATOM 697 CB ASN A 42 -6.277 -8.529 2.232 1.00 62.10 C ATOM 698 CG ASN A 42 -5.460 -9.592 2.985 1.00 35.22 C ATOM 699 OD1 ASN A 42 -4.584 -9.290 3.785 1.00 21.11 O ATOM 700 ND2 ASN A 42 -5.727 -10.855 2.723 1.00 54.24 N ATOM 0 H ASN A 42 -4.203 -7.129 1.715 1.00 42.41 H new ATOM 0 HA ASN A 42 -5.631 -9.196 0.263 1.00 72.04 H new ATOM 0 HB2 ASN A 42 -6.269 -7.601 2.803 1.00 62.10 H new ATOM 0 HB3 ASN A 42 -7.315 -8.855 2.168 1.00 62.10 H new ATOM 0 HD21 ASN A 42 -5.201 -11.595 3.189 1.00 54.24 H new ATOM 0 HD22 ASN A 42 -6.459 -11.093 2.054 1.00 54.24 H new ATOM 707 N LEU A 43 -6.393 -6.146 -0.331 1.00 42.53 N ATOM 708 CA LEU A 43 -7.213 -5.270 -1.207 1.00 10.42 C ATOM 709 C LEU A 43 -6.986 -5.600 -2.714 1.00 1.23 C ATOM 710 O LEU A 43 -5.883 -5.382 -3.238 1.00 42.43 O ATOM 711 CB LEU A 43 -6.901 -3.768 -0.934 1.00 24.04 C ATOM 712 CG LEU A 43 -7.459 -3.173 0.402 1.00 54.22 C ATOM 713 CD1 LEU A 43 -6.937 -1.735 0.639 1.00 61.10 C ATOM 714 CD2 LEU A 43 -9.006 -3.216 0.430 1.00 42.40 C ATOM 0 H LEU A 43 -5.534 -5.707 0.001 1.00 42.53 H new ATOM 0 HA LEU A 43 -8.260 -5.460 -0.972 1.00 10.42 H new ATOM 0 HB2 LEU A 43 -5.819 -3.637 -0.941 1.00 24.04 H new ATOM 0 HB3 LEU A 43 -7.298 -3.181 -1.762 1.00 24.04 H new ATOM 0 HG LEU A 43 -7.093 -3.796 1.218 1.00 54.22 H new ATOM 0 HD11 LEU A 43 -7.343 -1.350 1.575 1.00 61.10 H new ATOM 0 HD12 LEU A 43 -5.848 -1.747 0.693 1.00 61.10 H new ATOM 0 HD13 LEU A 43 -7.252 -1.093 -0.184 1.00 61.10 H new ATOM 0 HD21 LEU A 43 -9.365 -2.796 1.370 1.00 42.40 H new ATOM 0 HD22 LEU A 43 -9.401 -2.633 -0.402 1.00 42.40 H new ATOM 0 HD23 LEU A 43 -9.343 -4.249 0.342 1.00 42.40 H new ATOM 726 N PRO A 44 -8.020 -6.152 -3.440 1.00 41.45 N ATOM 727 CA PRO A 44 -7.966 -6.330 -4.915 1.00 15.12 C ATOM 728 C PRO A 44 -8.019 -4.970 -5.670 1.00 11.51 C ATOM 729 O PRO A 44 -8.350 -3.942 -5.075 1.00 13.02 O ATOM 730 CB PRO A 44 -9.212 -7.217 -5.229 1.00 64.53 C ATOM 731 CG PRO A 44 -9.657 -7.751 -3.896 1.00 41.15 C ATOM 732 CD PRO A 44 -9.296 -6.679 -2.897 1.00 12.42 C ATOM 0 HA PRO A 44 -7.033 -6.787 -5.244 1.00 15.12 H new ATOM 0 HB2 PRO A 44 -10.001 -6.634 -5.704 1.00 64.53 H new ATOM 0 HB3 PRO A 44 -8.958 -8.026 -5.913 1.00 64.53 H new ATOM 0 HG2 PRO A 44 -10.729 -7.950 -3.890 1.00 41.15 H new ATOM 0 HG3 PRO A 44 -9.157 -8.691 -3.662 1.00 41.15 H new ATOM 0 HD2 PRO A 44 -10.062 -5.906 -2.837 1.00 12.42 H new ATOM 0 HD3 PRO A 44 -9.173 -7.085 -1.893 1.00 12.42 H new ATOM 740 N VAL A 45 -7.721 -4.994 -6.984 1.00 2.13 N ATOM 741 CA VAL A 45 -7.545 -3.766 -7.814 1.00 64.45 C ATOM 742 C VAL A 45 -8.811 -2.872 -7.848 1.00 31.25 C ATOM 743 O VAL A 45 -8.718 -1.662 -7.623 1.00 31.42 O ATOM 744 CB VAL A 45 -7.099 -4.134 -9.285 1.00 35.12 C ATOM 745 CG1 VAL A 45 -6.927 -2.875 -10.179 1.00 32.11 C ATOM 746 CG2 VAL A 45 -5.798 -4.969 -9.258 1.00 32.14 C ATOM 0 H VAL A 45 -7.594 -5.860 -7.508 1.00 2.13 H new ATOM 0 HA VAL A 45 -6.756 -3.187 -7.334 1.00 64.45 H new ATOM 0 HB VAL A 45 -7.895 -4.732 -9.728 1.00 35.12 H new ATOM 0 HG11 VAL A 45 -6.620 -3.179 -11.180 1.00 32.11 H new ATOM 0 HG12 VAL A 45 -7.874 -2.338 -10.237 1.00 32.11 H new ATOM 0 HG13 VAL A 45 -6.166 -2.224 -9.748 1.00 32.11 H new ATOM 0 HG21 VAL A 45 -5.503 -5.215 -10.278 1.00 32.14 H new ATOM 0 HG22 VAL A 45 -5.006 -4.393 -8.780 1.00 32.14 H new ATOM 0 HG23 VAL A 45 -5.967 -5.888 -8.697 1.00 32.14 H new ATOM 756 N VAL A 46 -9.987 -3.477 -8.099 1.00 22.40 N ATOM 757 CA VAL A 46 -11.277 -2.732 -8.183 1.00 11.40 C ATOM 758 C VAL A 46 -11.613 -2.034 -6.833 1.00 42.03 C ATOM 759 O VAL A 46 -11.950 -0.843 -6.795 1.00 34.15 O ATOM 760 CB VAL A 46 -12.462 -3.687 -8.602 1.00 70.14 C ATOM 761 CG1 VAL A 46 -13.800 -2.917 -8.742 1.00 0.11 C ATOM 762 CG2 VAL A 46 -12.128 -4.448 -9.909 1.00 2.45 C ATOM 0 H VAL A 46 -10.080 -4.482 -8.249 1.00 22.40 H new ATOM 0 HA VAL A 46 -11.158 -1.967 -8.951 1.00 11.40 H new ATOM 0 HB VAL A 46 -12.585 -4.417 -7.802 1.00 70.14 H new ATOM 0 HG11 VAL A 46 -14.590 -3.610 -9.032 1.00 0.11 H new ATOM 0 HG12 VAL A 46 -14.055 -2.454 -7.789 1.00 0.11 H new ATOM 0 HG13 VAL A 46 -13.697 -2.145 -9.504 1.00 0.11 H new ATOM 0 HG21 VAL A 46 -12.961 -5.098 -10.174 1.00 2.45 H new ATOM 0 HG22 VAL A 46 -11.956 -3.732 -10.713 1.00 2.45 H new ATOM 0 HG23 VAL A 46 -11.231 -5.050 -9.761 1.00 2.45 H new ATOM 772 N ASP A 47 -11.474 -2.801 -5.737 1.00 32.33 N ATOM 773 CA ASP A 47 -11.676 -2.323 -4.348 1.00 44.02 C ATOM 774 C ASP A 47 -10.693 -1.188 -3.976 1.00 43.43 C ATOM 775 O ASP A 47 -11.073 -0.199 -3.335 1.00 64.53 O ATOM 776 CB ASP A 47 -11.489 -3.506 -3.365 1.00 73.13 C ATOM 777 CG ASP A 47 -12.458 -4.662 -3.635 1.00 11.11 C ATOM 778 OD1 ASP A 47 -12.260 -5.397 -4.624 1.00 73.42 O ATOM 779 OD2 ASP A 47 -13.421 -4.846 -2.852 1.00 40.21 O ATOM 0 H ASP A 47 -11.214 -3.786 -5.787 1.00 32.33 H new ATOM 0 HA ASP A 47 -12.688 -1.924 -4.278 1.00 44.02 H new ATOM 0 HB2 ASP A 47 -10.465 -3.873 -3.436 1.00 73.13 H new ATOM 0 HB3 ASP A 47 -11.631 -3.150 -2.344 1.00 73.13 H new ATOM 784 N PHE A 48 -9.431 -1.351 -4.400 1.00 10.02 N ATOM 785 CA PHE A 48 -8.343 -0.424 -4.060 1.00 5.14 C ATOM 786 C PHE A 48 -8.453 0.913 -4.832 1.00 32.52 C ATOM 787 O PHE A 48 -8.171 1.967 -4.270 1.00 53.31 O ATOM 788 CB PHE A 48 -6.960 -1.078 -4.311 1.00 51.14 C ATOM 789 CG PHE A 48 -5.812 -0.187 -3.838 1.00 12.11 C ATOM 790 CD1 PHE A 48 -5.610 0.018 -2.471 1.00 4.12 C ATOM 791 CD2 PHE A 48 -4.994 0.500 -4.738 1.00 52.12 C ATOM 792 CE1 PHE A 48 -4.624 0.863 -2.018 1.00 61.43 C ATOM 793 CE2 PHE A 48 -4.012 1.355 -4.280 1.00 73.22 C ATOM 794 CZ PHE A 48 -3.830 1.534 -2.920 1.00 30.04 C ATOM 0 H PHE A 48 -9.136 -2.130 -4.989 1.00 10.02 H new ATOM 0 HA PHE A 48 -8.439 -0.199 -2.998 1.00 5.14 H new ATOM 0 HB2 PHE A 48 -6.913 -2.036 -3.793 1.00 51.14 H new ATOM 0 HB3 PHE A 48 -6.844 -1.285 -5.375 1.00 51.14 H new ATOM 0 HD1 PHE A 48 -6.238 -0.495 -1.758 1.00 4.12 H new ATOM 0 HD2 PHE A 48 -5.131 0.361 -5.800 1.00 52.12 H new ATOM 0 HE1 PHE A 48 -4.473 1.000 -0.957 1.00 61.43 H new ATOM 0 HE2 PHE A 48 -3.386 1.884 -4.983 1.00 73.22 H new ATOM 0 HZ PHE A 48 -3.061 2.204 -2.564 1.00 30.04 H new ATOM 804 N ASN A 49 -8.854 0.854 -6.118 1.00 75.34 N ATOM 805 CA ASN A 49 -9.038 2.068 -6.961 1.00 21.25 C ATOM 806 C ASN A 49 -10.218 2.920 -6.438 1.00 14.50 C ATOM 807 O ASN A 49 -10.161 4.155 -6.432 1.00 43.41 O ATOM 808 CB ASN A 49 -9.255 1.682 -8.453 1.00 73.40 C ATOM 809 CG ASN A 49 -7.993 1.177 -9.173 1.00 33.04 C ATOM 810 OD1 ASN A 49 -7.836 1.377 -10.373 1.00 75.12 O ATOM 811 ND2 ASN A 49 -7.098 0.500 -8.471 1.00 70.23 N ATOM 0 H ASN A 49 -9.059 -0.020 -6.602 1.00 75.34 H new ATOM 0 HA ASN A 49 -8.129 2.666 -6.897 1.00 21.25 H new ATOM 0 HB2 ASN A 49 -10.022 0.909 -8.507 1.00 73.40 H new ATOM 0 HB3 ASN A 49 -9.639 2.551 -8.987 1.00 73.40 H new ATOM 0 HD21 ASN A 49 -6.262 0.135 -8.927 1.00 70.23 H new ATOM 0 HD22 ASN A 49 -7.245 0.343 -7.474 1.00 70.23 H new ATOM 818 N GLU A 50 -11.274 2.219 -5.994 1.00 31.31 N ATOM 819 CA GLU A 50 -12.427 2.812 -5.290 1.00 40.55 C ATOM 820 C GLU A 50 -11.985 3.493 -3.962 1.00 60.10 C ATOM 821 O GLU A 50 -12.427 4.605 -3.636 1.00 64.43 O ATOM 822 CB GLU A 50 -13.457 1.682 -5.024 1.00 64.42 C ATOM 823 CG GLU A 50 -14.766 2.116 -4.330 1.00 32.04 C ATOM 824 CD GLU A 50 -15.707 0.932 -4.035 1.00 41.50 C ATOM 825 OE1 GLU A 50 -15.425 0.162 -3.095 1.00 2.35 O ATOM 826 OE2 GLU A 50 -16.715 0.756 -4.744 1.00 63.43 O ATOM 0 H GLU A 50 -11.354 1.209 -6.115 1.00 31.31 H new ATOM 0 HA GLU A 50 -12.879 3.590 -5.905 1.00 40.55 H new ATOM 0 HB2 GLU A 50 -13.710 1.215 -5.976 1.00 64.42 H new ATOM 0 HB3 GLU A 50 -12.979 0.918 -4.411 1.00 64.42 H new ATOM 0 HG2 GLU A 50 -14.525 2.624 -3.396 1.00 32.04 H new ATOM 0 HG3 GLU A 50 -15.284 2.838 -4.961 1.00 32.04 H new ATOM 833 N MET A 51 -11.075 2.825 -3.224 1.00 3.32 N ATOM 834 CA MET A 51 -10.597 3.294 -1.901 1.00 62.02 C ATOM 835 C MET A 51 -9.614 4.495 -1.999 1.00 70.40 C ATOM 836 O MET A 51 -9.721 5.438 -1.223 1.00 54.14 O ATOM 837 CB MET A 51 -9.944 2.125 -1.115 1.00 10.42 C ATOM 838 CG MET A 51 -9.522 2.485 0.319 1.00 35.31 C ATOM 839 SD MET A 51 -8.858 1.081 1.236 1.00 30.14 S ATOM 840 CE MET A 51 -8.439 1.854 2.799 1.00 43.30 C ATOM 0 H MET A 51 -10.650 1.948 -3.524 1.00 3.32 H new ATOM 0 HA MET A 51 -11.474 3.651 -1.362 1.00 62.02 H new ATOM 0 HB2 MET A 51 -10.646 1.292 -1.076 1.00 10.42 H new ATOM 0 HB3 MET A 51 -9.068 1.779 -1.663 1.00 10.42 H new ATOM 0 HG2 MET A 51 -8.772 3.275 0.283 1.00 35.31 H new ATOM 0 HG3 MET A 51 -10.382 2.887 0.854 1.00 35.31 H new ATOM 0 HE1 MET A 51 -8.016 1.108 3.472 1.00 43.30 H new ATOM 0 HE2 MET A 51 -7.709 2.645 2.629 1.00 43.30 H new ATOM 0 HE3 MET A 51 -9.337 2.279 3.247 1.00 43.30 H new ATOM 850 N MET A 52 -8.674 4.454 -2.958 1.00 14.34 N ATOM 851 CA MET A 52 -7.605 5.487 -3.080 1.00 1.44 C ATOM 852 C MET A 52 -8.147 6.820 -3.654 1.00 13.11 C ATOM 853 O MET A 52 -7.544 7.881 -3.464 1.00 21.50 O ATOM 854 CB MET A 52 -6.415 4.959 -3.932 1.00 4.25 C ATOM 855 CG MET A 52 -6.700 4.784 -5.429 1.00 0.30 C ATOM 856 SD MET A 52 -5.274 4.137 -6.330 1.00 64.24 S ATOM 857 CE MET A 52 -5.848 4.210 -8.027 1.00 45.14 C ATOM 0 H MET A 52 -8.624 3.721 -3.665 1.00 14.34 H new ATOM 0 HA MET A 52 -7.242 5.693 -2.073 1.00 1.44 H new ATOM 0 HB2 MET A 52 -5.576 5.646 -3.818 1.00 4.25 H new ATOM 0 HB3 MET A 52 -6.098 3.998 -3.526 1.00 4.25 H new ATOM 0 HG2 MET A 52 -7.545 4.108 -5.559 1.00 0.30 H new ATOM 0 HG3 MET A 52 -6.991 5.744 -5.855 1.00 0.30 H new ATOM 0 HE1 MET A 52 -5.565 3.294 -8.546 1.00 45.14 H new ATOM 0 HE2 MET A 52 -6.933 4.315 -8.040 1.00 45.14 H new ATOM 0 HE3 MET A 52 -5.395 5.066 -8.528 1.00 45.14 H new ATOM 867 N SER A 53 -9.296 6.744 -4.356 1.00 4.33 N ATOM 868 CA SER A 53 -10.009 7.934 -4.878 1.00 63.32 C ATOM 869 C SER A 53 -10.538 8.834 -3.734 1.00 54.01 C ATOM 870 O SER A 53 -10.550 10.064 -3.847 1.00 32.23 O ATOM 871 CB SER A 53 -11.176 7.493 -5.791 1.00 31.20 C ATOM 872 OG SER A 53 -11.886 8.609 -6.320 1.00 44.24 O ATOM 0 H SER A 53 -9.756 5.861 -4.578 1.00 4.33 H new ATOM 0 HA SER A 53 -9.296 8.521 -5.457 1.00 63.32 H new ATOM 0 HB2 SER A 53 -10.788 6.888 -6.610 1.00 31.20 H new ATOM 0 HB3 SER A 53 -11.861 6.861 -5.225 1.00 31.20 H new ATOM 0 HG SER A 53 -12.615 8.291 -6.893 1.00 44.24 H new ATOM 878 N LYS A 54 -10.969 8.200 -2.630 1.00 71.21 N ATOM 879 CA LYS A 54 -11.489 8.905 -1.428 1.00 43.02 C ATOM 880 C LYS A 54 -10.412 9.033 -0.315 1.00 55.13 C ATOM 881 O LYS A 54 -10.493 9.923 0.540 1.00 41.21 O ATOM 882 CB LYS A 54 -12.769 8.184 -0.908 1.00 24.23 C ATOM 883 CG LYS A 54 -12.601 6.674 -0.622 1.00 3.22 C ATOM 884 CD LYS A 54 -13.920 5.986 -0.208 1.00 63.43 C ATOM 885 CE LYS A 54 -13.748 4.481 0.071 1.00 64.11 C ATOM 886 NZ LYS A 54 -15.018 3.853 0.525 1.00 24.11 N ATOM 0 H LYS A 54 -10.970 7.184 -2.538 1.00 71.21 H new ATOM 0 HA LYS A 54 -11.753 9.923 -1.716 1.00 43.02 H new ATOM 0 HB2 LYS A 54 -13.098 8.677 0.007 1.00 24.23 H new ATOM 0 HB3 LYS A 54 -13.564 8.313 -1.643 1.00 24.23 H new ATOM 0 HG2 LYS A 54 -12.206 6.183 -1.512 1.00 3.22 H new ATOM 0 HG3 LYS A 54 -11.864 6.540 0.170 1.00 3.22 H new ATOM 0 HD2 LYS A 54 -14.314 6.473 0.684 1.00 63.43 H new ATOM 0 HD3 LYS A 54 -14.659 6.122 -0.998 1.00 63.43 H new ATOM 0 HE2 LYS A 54 -13.399 3.982 -0.833 1.00 64.11 H new ATOM 0 HE3 LYS A 54 -12.980 4.338 0.831 1.00 64.11 H new ATOM 0 HZ1 LYS A 54 -14.861 2.840 0.702 1.00 24.11 H new ATOM 0 HZ2 LYS A 54 -15.338 4.312 1.401 1.00 24.11 H new ATOM 0 HZ3 LYS A 54 -15.744 3.967 -0.211 1.00 24.11 H new ATOM 900 N GLU A 55 -9.405 8.133 -0.342 1.00 12.11 N ATOM 901 CA GLU A 55 -8.237 8.171 0.576 1.00 13.04 C ATOM 902 C GLU A 55 -6.947 8.414 -0.245 1.00 41.34 C ATOM 903 O GLU A 55 -6.294 7.464 -0.696 1.00 71.43 O ATOM 904 CB GLU A 55 -8.117 6.841 1.389 1.00 44.22 C ATOM 905 CG GLU A 55 -9.341 6.474 2.260 1.00 11.11 C ATOM 906 CD GLU A 55 -9.682 7.545 3.313 1.00 2.13 C ATOM 907 OE1 GLU A 55 -8.915 7.702 4.287 1.00 53.10 O ATOM 908 OE2 GLU A 55 -10.719 8.229 3.178 1.00 3.31 O ATOM 0 H GLU A 55 -9.376 7.356 -1.002 1.00 12.11 H new ATOM 0 HA GLU A 55 -8.377 8.985 1.287 1.00 13.04 H new ATOM 0 HB2 GLU A 55 -7.934 6.025 0.690 1.00 44.22 H new ATOM 0 HB3 GLU A 55 -7.242 6.910 2.035 1.00 44.22 H new ATOM 0 HG2 GLU A 55 -10.205 6.321 1.614 1.00 11.11 H new ATOM 0 HG3 GLU A 55 -9.149 5.527 2.764 1.00 11.11 H new ATOM 915 N GLN A 56 -6.601 9.693 -0.463 1.00 60.42 N ATOM 916 CA GLN A 56 -5.459 10.078 -1.323 1.00 12.14 C ATOM 917 C GLN A 56 -4.113 9.969 -0.565 1.00 4.23 C ATOM 918 O GLN A 56 -4.003 10.399 0.589 1.00 20.41 O ATOM 919 CB GLN A 56 -5.637 11.525 -1.891 1.00 64.51 C ATOM 920 CG GLN A 56 -6.862 11.737 -2.829 1.00 54.33 C ATOM 921 CD GLN A 56 -8.187 12.069 -2.114 1.00 62.02 C ATOM 922 OE1 GLN A 56 -8.434 11.675 -0.983 1.00 61.34 O ATOM 923 NE2 GLN A 56 -9.053 12.812 -2.775 1.00 14.42 N ATOM 0 H GLN A 56 -7.096 10.486 -0.055 1.00 60.42 H new ATOM 0 HA GLN A 56 -5.440 9.377 -2.157 1.00 12.14 H new ATOM 0 HB2 GLN A 56 -5.721 12.217 -1.053 1.00 64.51 H new ATOM 0 HB3 GLN A 56 -4.733 11.795 -2.438 1.00 64.51 H new ATOM 0 HG2 GLN A 56 -6.631 12.544 -3.525 1.00 54.33 H new ATOM 0 HG3 GLN A 56 -7.005 10.834 -3.423 1.00 54.33 H new ATOM 0 HE21 GLN A 56 -8.834 13.134 -3.718 1.00 14.42 H new ATOM 0 HE22 GLN A 56 -9.942 13.065 -2.343 1.00 14.42 H new ATOM 932 N PHE A 57 -3.099 9.389 -1.235 1.00 75.12 N ATOM 933 CA PHE A 57 -1.709 9.276 -0.712 1.00 4.13 C ATOM 934 C PHE A 57 -0.713 9.915 -1.705 1.00 11.41 C ATOM 935 O PHE A 57 -1.093 10.295 -2.822 1.00 35.45 O ATOM 936 CB PHE A 57 -1.342 7.787 -0.460 1.00 13.22 C ATOM 937 CG PHE A 57 -2.299 7.068 0.495 1.00 12.35 C ATOM 938 CD1 PHE A 57 -2.251 7.307 1.871 1.00 4.53 C ATOM 939 CD2 PHE A 57 -3.257 6.164 0.019 1.00 22.45 C ATOM 940 CE1 PHE A 57 -3.126 6.674 2.732 1.00 20.32 C ATOM 941 CE2 PHE A 57 -4.126 5.532 0.886 1.00 14.13 C ATOM 942 CZ PHE A 57 -4.060 5.788 2.242 1.00 52.15 C ATOM 0 H PHE A 57 -3.214 8.980 -2.162 1.00 75.12 H new ATOM 0 HA PHE A 57 -1.649 9.810 0.236 1.00 4.13 H new ATOM 0 HB2 PHE A 57 -1.330 7.259 -1.413 1.00 13.22 H new ATOM 0 HB3 PHE A 57 -0.332 7.735 -0.054 1.00 13.22 H new ATOM 0 HD1 PHE A 57 -1.520 7.996 2.267 1.00 4.53 H new ATOM 0 HD2 PHE A 57 -3.317 5.959 -1.040 1.00 22.45 H new ATOM 0 HE1 PHE A 57 -3.078 6.874 3.792 1.00 20.32 H new ATOM 0 HE2 PHE A 57 -4.858 4.836 0.504 1.00 14.13 H new ATOM 0 HZ PHE A 57 -4.741 5.293 2.918 1.00 52.15 H new ATOM 952 N ASN A 58 0.559 10.043 -1.288 1.00 60.22 N ATOM 953 CA ASN A 58 1.632 10.610 -2.148 1.00 74.15 C ATOM 954 C ASN A 58 2.069 9.604 -3.243 1.00 73.31 C ATOM 955 O ASN A 58 1.853 8.401 -3.103 1.00 11.22 O ATOM 956 CB ASN A 58 2.848 11.036 -1.284 1.00 54.42 C ATOM 957 CG ASN A 58 2.519 12.146 -0.277 1.00 74.44 C ATOM 958 OD1 ASN A 58 1.403 12.253 0.226 1.00 14.04 O ATOM 959 ND2 ASN A 58 3.485 12.985 0.028 1.00 30.40 N ATOM 0 H ASN A 58 0.877 9.763 -0.360 1.00 60.22 H new ATOM 0 HA ASN A 58 1.230 11.491 -2.648 1.00 74.15 H new ATOM 0 HB2 ASN A 58 3.224 10.166 -0.745 1.00 54.42 H new ATOM 0 HB3 ASN A 58 3.649 11.376 -1.940 1.00 54.42 H new ATOM 0 HD21 ASN A 58 3.314 13.740 0.692 1.00 30.40 H new ATOM 0 HD22 ASN A 58 4.405 12.881 -0.400 1.00 30.40 H new ATOM 966 N GLU A 59 2.705 10.114 -4.323 1.00 10.11 N ATOM 967 CA GLU A 59 3.109 9.288 -5.494 1.00 22.51 C ATOM 968 C GLU A 59 4.174 8.212 -5.134 1.00 24.11 C ATOM 969 O GLU A 59 4.183 7.123 -5.711 1.00 31.40 O ATOM 970 CB GLU A 59 3.606 10.195 -6.661 1.00 71.43 C ATOM 971 CG GLU A 59 4.885 11.011 -6.367 1.00 71.20 C ATOM 972 CD GLU A 59 5.318 11.919 -7.536 1.00 41.03 C ATOM 973 OE1 GLU A 59 5.808 11.394 -8.561 1.00 41.35 O ATOM 974 OE2 GLU A 59 5.185 13.161 -7.435 1.00 33.44 O ATOM 0 H GLU A 59 2.953 11.100 -4.411 1.00 10.11 H new ATOM 0 HA GLU A 59 2.221 8.748 -5.821 1.00 22.51 H new ATOM 0 HB2 GLU A 59 3.788 9.568 -7.534 1.00 71.43 H new ATOM 0 HB3 GLU A 59 2.807 10.887 -6.927 1.00 71.43 H new ATOM 0 HG2 GLU A 59 4.719 11.626 -5.482 1.00 71.20 H new ATOM 0 HG3 GLU A 59 5.698 10.325 -6.130 1.00 71.20 H new ATOM 981 N ALA A 60 5.061 8.535 -4.164 1.00 14.03 N ATOM 982 CA ALA A 60 6.070 7.581 -3.633 1.00 10.04 C ATOM 983 C ALA A 60 5.409 6.499 -2.743 1.00 24.33 C ATOM 984 O ALA A 60 5.809 5.328 -2.775 1.00 31.15 O ATOM 985 CB ALA A 60 7.160 8.332 -2.845 1.00 12.12 C ATOM 0 H ALA A 60 5.100 9.456 -3.728 1.00 14.03 H new ATOM 0 HA ALA A 60 6.534 7.079 -4.482 1.00 10.04 H new ATOM 0 HB1 ALA A 60 7.890 7.618 -2.464 1.00 12.12 H new ATOM 0 HB2 ALA A 60 7.658 9.045 -3.502 1.00 12.12 H new ATOM 0 HB3 ALA A 60 6.704 8.865 -2.011 1.00 12.12 H new ATOM 991 N GLN A 61 4.393 6.917 -1.960 1.00 53.31 N ATOM 992 CA GLN A 61 3.593 6.007 -1.104 1.00 24.43 C ATOM 993 C GLN A 61 2.827 4.971 -1.960 1.00 1.32 C ATOM 994 O GLN A 61 2.888 3.775 -1.698 1.00 64.13 O ATOM 995 CB GLN A 61 2.599 6.826 -0.237 1.00 52.13 C ATOM 996 CG GLN A 61 3.266 7.737 0.819 1.00 64.42 C ATOM 997 CD GLN A 61 2.265 8.582 1.625 1.00 22.30 C ATOM 998 OE1 GLN A 61 1.120 8.196 1.827 1.00 34.32 O ATOM 999 NE2 GLN A 61 2.692 9.734 2.105 1.00 10.53 N ATOM 0 H GLN A 61 4.102 7.893 -1.901 1.00 53.31 H new ATOM 0 HA GLN A 61 4.276 5.467 -0.449 1.00 24.43 H new ATOM 0 HB2 GLN A 61 1.986 7.443 -0.895 1.00 52.13 H new ATOM 0 HB3 GLN A 61 1.926 6.135 0.271 1.00 52.13 H new ATOM 0 HG2 GLN A 61 3.843 7.119 1.507 1.00 64.42 H new ATOM 0 HG3 GLN A 61 3.971 8.402 0.320 1.00 64.42 H new ATOM 0 HE21 GLN A 61 3.649 10.038 1.926 1.00 10.53 H new ATOM 0 HE22 GLN A 61 2.065 10.321 2.655 1.00 10.53 H new ATOM 1008 N LEU A 62 2.139 5.463 -3.005 1.00 32.42 N ATOM 1009 CA LEU A 62 1.339 4.626 -3.928 1.00 1.02 C ATOM 1010 C LEU A 62 2.221 3.704 -4.807 1.00 33.34 C ATOM 1011 O LEU A 62 1.778 2.631 -5.216 1.00 25.13 O ATOM 1012 CB LEU A 62 0.445 5.529 -4.811 1.00 53.31 C ATOM 1013 CG LEU A 62 -0.678 6.317 -4.059 1.00 4.33 C ATOM 1014 CD1 LEU A 62 -1.402 7.311 -4.997 1.00 12.13 C ATOM 1015 CD2 LEU A 62 -1.686 5.353 -3.382 1.00 51.12 C ATOM 0 H LEU A 62 2.120 6.456 -3.238 1.00 32.42 H new ATOM 0 HA LEU A 62 0.712 3.973 -3.321 1.00 1.02 H new ATOM 0 HB2 LEU A 62 1.083 6.246 -5.327 1.00 53.31 H new ATOM 0 HB3 LEU A 62 -0.022 4.909 -5.576 1.00 53.31 H new ATOM 0 HG LEU A 62 -0.195 6.899 -3.274 1.00 4.33 H new ATOM 0 HD11 LEU A 62 -2.175 7.840 -4.440 1.00 12.13 H new ATOM 0 HD12 LEU A 62 -0.683 8.029 -5.391 1.00 12.13 H new ATOM 0 HD13 LEU A 62 -1.859 6.765 -5.823 1.00 12.13 H new ATOM 0 HD21 LEU A 62 -2.454 5.931 -2.868 1.00 51.12 H new ATOM 0 HD22 LEU A 62 -2.153 4.723 -4.140 1.00 51.12 H new ATOM 0 HD23 LEU A 62 -1.161 4.725 -2.662 1.00 51.12 H new ATOM 1027 N ALA A 63 3.460 4.147 -5.113 1.00 13.31 N ATOM 1028 CA ALA A 63 4.467 3.315 -5.820 1.00 10.31 C ATOM 1029 C ALA A 63 4.863 2.079 -4.976 1.00 3.21 C ATOM 1030 O ALA A 63 4.937 0.953 -5.492 1.00 34.43 O ATOM 1031 CB ALA A 63 5.702 4.159 -6.174 1.00 24.41 C ATOM 0 H ALA A 63 3.792 5.083 -4.881 1.00 13.31 H new ATOM 0 HA ALA A 63 4.021 2.951 -6.746 1.00 10.31 H new ATOM 0 HB1 ALA A 63 6.432 3.537 -6.692 1.00 24.41 H new ATOM 0 HB2 ALA A 63 5.405 4.985 -6.821 1.00 24.41 H new ATOM 0 HB3 ALA A 63 6.146 4.555 -5.261 1.00 24.41 H new ATOM 1037 N LEU A 64 5.106 2.323 -3.673 1.00 41.43 N ATOM 1038 CA LEU A 64 5.341 1.262 -2.668 1.00 41.41 C ATOM 1039 C LEU A 64 4.144 0.290 -2.574 1.00 3.01 C ATOM 1040 O LEU A 64 4.316 -0.927 -2.618 1.00 33.31 O ATOM 1041 CB LEU A 64 5.587 1.903 -1.278 1.00 43.52 C ATOM 1042 CG LEU A 64 5.617 0.918 -0.062 1.00 50.31 C ATOM 1043 CD1 LEU A 64 6.788 -0.077 -0.157 1.00 24.53 C ATOM 1044 CD2 LEU A 64 5.634 1.674 1.271 1.00 2.55 C ATOM 0 H LEU A 64 5.145 3.265 -3.284 1.00 41.43 H new ATOM 0 HA LEU A 64 6.217 0.695 -2.983 1.00 41.41 H new ATOM 0 HB2 LEU A 64 6.536 2.438 -1.310 1.00 43.52 H new ATOM 0 HB3 LEU A 64 4.809 2.645 -1.100 1.00 43.52 H new ATOM 0 HG LEU A 64 4.697 0.335 -0.100 1.00 50.31 H new ATOM 0 HD11 LEU A 64 6.771 -0.742 0.707 1.00 24.53 H new ATOM 0 HD12 LEU A 64 6.693 -0.665 -1.070 1.00 24.53 H new ATOM 0 HD13 LEU A 64 7.730 0.471 -0.175 1.00 24.53 H new ATOM 0 HD21 LEU A 64 5.655 0.960 2.094 1.00 2.55 H new ATOM 0 HD22 LEU A 64 6.519 2.308 1.318 1.00 2.55 H new ATOM 0 HD23 LEU A 64 4.740 2.293 1.350 1.00 2.55 H new ATOM 1056 N ILE A 65 2.942 0.863 -2.425 1.00 10.10 N ATOM 1057 CA ILE A 65 1.693 0.101 -2.252 1.00 71.40 C ATOM 1058 C ILE A 65 1.426 -0.852 -3.451 1.00 23.05 C ATOM 1059 O ILE A 65 1.082 -2.014 -3.246 1.00 4.43 O ATOM 1060 CB ILE A 65 0.481 1.080 -2.021 1.00 3.13 C ATOM 1061 CG1 ILE A 65 0.623 1.827 -0.646 1.00 72.42 C ATOM 1062 CG2 ILE A 65 -0.870 0.345 -2.107 1.00 35.15 C ATOM 1063 CD1 ILE A 65 -0.442 2.883 -0.376 1.00 61.21 C ATOM 0 H ILE A 65 2.806 1.874 -2.421 1.00 10.10 H new ATOM 0 HA ILE A 65 1.804 -0.526 -1.367 1.00 71.40 H new ATOM 0 HB ILE A 65 0.501 1.821 -2.820 1.00 3.13 H new ATOM 0 HG12 ILE A 65 0.594 1.090 0.156 1.00 72.42 H new ATOM 0 HG13 ILE A 65 1.603 2.302 -0.607 1.00 72.42 H new ATOM 0 HG21 ILE A 65 -1.681 1.054 -1.942 1.00 35.15 H new ATOM 0 HG22 ILE A 65 -0.977 -0.106 -3.094 1.00 35.15 H new ATOM 0 HG23 ILE A 65 -0.909 -0.434 -1.346 1.00 35.15 H new ATOM 0 HD11 ILE A 65 -0.260 3.343 0.595 1.00 61.21 H new ATOM 0 HD12 ILE A 65 -0.402 3.647 -1.152 1.00 61.21 H new ATOM 0 HD13 ILE A 65 -1.427 2.415 -0.378 1.00 61.21 H new ATOM 1075 N ARG A 66 1.622 -0.355 -4.689 1.00 62.23 N ATOM 1076 CA ARG A 66 1.475 -1.178 -5.919 1.00 22.41 C ATOM 1077 C ARG A 66 2.470 -2.366 -5.935 1.00 55.42 C ATOM 1078 O ARG A 66 2.128 -3.459 -6.392 1.00 31.30 O ATOM 1079 CB ARG A 66 1.655 -0.300 -7.192 1.00 61.30 C ATOM 1080 CG ARG A 66 0.505 0.710 -7.429 1.00 64.52 C ATOM 1081 CD ARG A 66 0.716 1.581 -8.683 1.00 43.04 C ATOM 1082 NE ARG A 66 1.876 2.488 -8.550 1.00 70.40 N ATOM 1083 CZ ARG A 66 2.727 2.790 -9.515 1.00 73.14 C ATOM 1084 NH1 ARG A 66 2.640 2.246 -10.688 1.00 3.15 N ATOM 1085 NH2 ARG A 66 3.658 3.657 -9.302 1.00 41.51 N ATOM 0 H ARG A 66 1.883 0.614 -4.870 1.00 62.23 H new ATOM 0 HA ARG A 66 0.466 -1.591 -5.918 1.00 22.41 H new ATOM 0 HB2 ARG A 66 2.595 0.247 -7.114 1.00 61.30 H new ATOM 0 HB3 ARG A 66 1.737 -0.952 -8.062 1.00 61.30 H new ATOM 0 HG2 ARG A 66 -0.435 0.166 -7.525 1.00 64.52 H new ATOM 0 HG3 ARG A 66 0.411 1.356 -6.556 1.00 64.52 H new ATOM 0 HD2 ARG A 66 0.860 0.936 -9.550 1.00 43.04 H new ATOM 0 HD3 ARG A 66 -0.183 2.169 -8.869 1.00 43.04 H new ATOM 0 HE ARG A 66 2.032 2.916 -7.638 1.00 70.40 H new ATOM 0 HH11 ARG A 66 1.903 1.569 -10.883 1.00 3.15 H new ATOM 0 HH12 ARG A 66 3.309 2.495 -11.417 1.00 3.15 H new ATOM 0 HH21 ARG A 66 3.736 4.108 -8.390 1.00 41.51 H new ATOM 0 HH22 ARG A 66 4.316 3.892 -10.045 1.00 41.51 H new ATOM 1099 N ASP A 67 3.684 -2.132 -5.400 1.00 23.43 N ATOM 1100 CA ASP A 67 4.736 -3.167 -5.271 1.00 45.10 C ATOM 1101 C ASP A 67 4.327 -4.274 -4.258 1.00 73.21 C ATOM 1102 O ASP A 67 4.432 -5.459 -4.560 1.00 54.12 O ATOM 1103 CB ASP A 67 6.075 -2.496 -4.870 1.00 41.44 C ATOM 1104 CG ASP A 67 7.238 -3.486 -4.701 1.00 42.32 C ATOM 1105 OD1 ASP A 67 7.777 -3.969 -5.723 1.00 45.42 O ATOM 1106 OD2 ASP A 67 7.612 -3.799 -3.549 1.00 32.34 O ATOM 0 H ASP A 67 3.966 -1.219 -5.043 1.00 23.43 H new ATOM 0 HA ASP A 67 4.864 -3.659 -6.235 1.00 45.10 H new ATOM 0 HB2 ASP A 67 6.343 -1.760 -5.628 1.00 41.44 H new ATOM 0 HB3 ASP A 67 5.933 -1.953 -3.935 1.00 41.44 H new ATOM 1111 N ILE A 68 3.851 -3.870 -3.067 1.00 70.21 N ATOM 1112 CA ILE A 68 3.406 -4.819 -2.010 1.00 33.13 C ATOM 1113 C ILE A 68 2.142 -5.614 -2.459 1.00 23.14 C ATOM 1114 O ILE A 68 2.009 -6.807 -2.169 1.00 45.33 O ATOM 1115 CB ILE A 68 3.110 -4.061 -0.654 1.00 55.04 C ATOM 1116 CG1 ILE A 68 4.361 -3.245 -0.187 1.00 45.01 C ATOM 1117 CG2 ILE A 68 2.632 -5.028 0.464 1.00 22.24 C ATOM 1118 CD1 ILE A 68 4.177 -2.479 1.121 1.00 21.14 C ATOM 0 H ILE A 68 3.761 -2.889 -2.804 1.00 70.21 H new ATOM 0 HA ILE A 68 4.220 -5.526 -1.846 1.00 33.13 H new ATOM 0 HB ILE A 68 2.295 -3.364 -0.847 1.00 55.04 H new ATOM 0 HG12 ILE A 68 5.202 -3.929 -0.075 1.00 45.01 H new ATOM 0 HG13 ILE A 68 4.628 -2.537 -0.971 1.00 45.01 H new ATOM 0 HG21 ILE A 68 2.441 -4.463 1.376 1.00 22.24 H new ATOM 0 HG22 ILE A 68 1.716 -5.526 0.147 1.00 22.24 H new ATOM 0 HG23 ILE A 68 3.404 -5.774 0.654 1.00 22.24 H new ATOM 0 HD11 ILE A 68 5.096 -1.945 1.362 1.00 21.14 H new ATOM 0 HD12 ILE A 68 3.360 -1.765 1.013 1.00 21.14 H new ATOM 0 HD13 ILE A 68 3.943 -3.179 1.923 1.00 21.14 H new ATOM 1130 N ARG A 69 1.244 -4.932 -3.199 1.00 71.51 N ATOM 1131 CA ARG A 69 -0.061 -5.490 -3.648 1.00 50.15 C ATOM 1132 C ARG A 69 0.143 -6.601 -4.718 1.00 53.34 C ATOM 1133 O ARG A 69 -0.494 -7.659 -4.643 1.00 25.02 O ATOM 1134 CB ARG A 69 -0.964 -4.322 -4.183 1.00 14.53 C ATOM 1135 CG ARG A 69 -2.510 -4.587 -4.228 1.00 31.54 C ATOM 1136 CD ARG A 69 -3.063 -4.943 -5.625 1.00 21.20 C ATOM 1137 NE ARG A 69 -2.649 -6.281 -6.075 1.00 70.13 N ATOM 1138 CZ ARG A 69 -2.550 -6.681 -7.327 1.00 23.44 C ATOM 1139 NH1 ARG A 69 -2.755 -5.879 -8.321 1.00 34.12 N ATOM 1140 NH2 ARG A 69 -2.229 -7.902 -7.574 1.00 32.00 N ATOM 0 H ARG A 69 1.399 -3.972 -3.507 1.00 71.51 H new ATOM 0 HA ARG A 69 -0.564 -5.960 -2.803 1.00 50.15 H new ATOM 0 HB2 ARG A 69 -0.788 -3.444 -3.561 1.00 14.53 H new ATOM 0 HB3 ARG A 69 -0.633 -4.071 -5.191 1.00 14.53 H new ATOM 0 HG2 ARG A 69 -2.746 -5.400 -3.541 1.00 31.54 H new ATOM 0 HG3 ARG A 69 -3.028 -3.700 -3.862 1.00 31.54 H new ATOM 0 HD2 ARG A 69 -4.152 -4.892 -5.604 1.00 21.20 H new ATOM 0 HD3 ARG A 69 -2.723 -4.200 -6.346 1.00 21.20 H new ATOM 0 HE ARG A 69 -2.417 -6.962 -5.352 1.00 70.13 H new ATOM 0 HH11 ARG A 69 -3.001 -4.905 -8.148 1.00 34.12 H new ATOM 0 HH12 ARG A 69 -2.670 -6.221 -9.278 1.00 34.12 H new ATOM 0 HH21 ARG A 69 -2.054 -8.549 -6.805 1.00 32.00 H new ATOM 0 HH22 ARG A 69 -2.149 -8.223 -8.539 1.00 32.00 H new ATOM 1154 N ARG A 70 1.038 -6.347 -5.703 1.00 72.54 N ATOM 1155 CA ARG A 70 1.370 -7.337 -6.771 1.00 3.52 C ATOM 1156 C ARG A 70 2.202 -8.524 -6.207 1.00 13.31 C ATOM 1157 O ARG A 70 2.155 -9.638 -6.741 1.00 13.21 O ATOM 1158 CB ARG A 70 2.129 -6.649 -7.946 1.00 33.11 C ATOM 1159 CG ARG A 70 3.527 -6.108 -7.573 1.00 41.21 C ATOM 1160 CD ARG A 70 4.187 -5.270 -8.679 1.00 51.32 C ATOM 1161 NE ARG A 70 4.492 -6.055 -9.885 1.00 25.13 N ATOM 1162 CZ ARG A 70 5.282 -5.664 -10.862 1.00 20.42 C ATOM 1163 NH1 ARG A 70 5.918 -4.534 -10.811 1.00 71.33 N ATOM 1164 NH2 ARG A 70 5.451 -6.428 -11.884 1.00 11.31 N ATOM 0 H ARG A 70 1.546 -5.466 -5.785 1.00 72.54 H new ATOM 0 HA ARG A 70 0.430 -7.738 -7.152 1.00 3.52 H new ATOM 0 HB2 ARG A 70 2.235 -7.364 -8.762 1.00 33.11 H new ATOM 0 HB3 ARG A 70 1.522 -5.825 -8.321 1.00 33.11 H new ATOM 0 HG2 ARG A 70 3.442 -5.500 -6.672 1.00 41.21 H new ATOM 0 HG3 ARG A 70 4.178 -6.948 -7.330 1.00 41.21 H new ATOM 0 HD2 ARG A 70 3.527 -4.445 -8.946 1.00 51.32 H new ATOM 0 HD3 ARG A 70 5.108 -4.830 -8.295 1.00 51.32 H new ATOM 0 HE ARG A 70 4.057 -6.974 -9.971 1.00 25.13 H new ATOM 0 HH11 ARG A 70 5.812 -3.925 -10.000 1.00 71.33 H new ATOM 0 HH12 ARG A 70 6.524 -4.255 -11.582 1.00 71.33 H new ATOM 0 HH21 ARG A 70 4.974 -7.328 -11.932 1.00 11.31 H new ATOM 0 HH22 ARG A 70 6.062 -6.133 -12.646 1.00 11.31 H new ATOM 1178 N ARG A 71 2.969 -8.259 -5.128 1.00 51.24 N ATOM 1179 CA ARG A 71 3.736 -9.297 -4.395 1.00 14.15 C ATOM 1180 C ARG A 71 2.845 -10.058 -3.385 1.00 71.22 C ATOM 1181 O ARG A 71 3.244 -11.103 -2.870 1.00 34.11 O ATOM 1182 CB ARG A 71 4.941 -8.641 -3.675 1.00 71.45 C ATOM 1183 CG ARG A 71 6.093 -8.203 -4.617 1.00 42.30 C ATOM 1184 CD ARG A 71 7.115 -7.286 -3.916 1.00 44.02 C ATOM 1185 NE ARG A 71 7.514 -7.803 -2.593 1.00 14.20 N ATOM 1186 CZ ARG A 71 7.505 -7.113 -1.473 1.00 51.34 C ATOM 1187 NH1 ARG A 71 7.206 -5.847 -1.449 1.00 14.42 N ATOM 1188 NH2 ARG A 71 7.806 -7.701 -0.367 1.00 74.22 N ATOM 0 H ARG A 71 3.076 -7.322 -4.739 1.00 51.24 H new ATOM 0 HA ARG A 71 4.101 -10.027 -5.117 1.00 14.15 H new ATOM 0 HB2 ARG A 71 4.588 -7.769 -3.124 1.00 71.45 H new ATOM 0 HB3 ARG A 71 5.336 -9.344 -2.941 1.00 71.45 H new ATOM 0 HG2 ARG A 71 6.604 -9.088 -4.996 1.00 42.30 H new ATOM 0 HG3 ARG A 71 5.675 -7.683 -5.479 1.00 42.30 H new ATOM 0 HD2 ARG A 71 7.999 -7.183 -4.545 1.00 44.02 H new ATOM 0 HD3 ARG A 71 6.687 -6.290 -3.801 1.00 44.02 H new ATOM 0 HE ARG A 71 7.822 -8.774 -2.543 1.00 14.20 H new ATOM 0 HH11 ARG A 71 6.970 -5.362 -2.315 1.00 14.42 H new ATOM 0 HH12 ARG A 71 7.208 -5.339 -0.564 1.00 14.42 H new ATOM 0 HH21 ARG A 71 8.048 -8.692 -0.366 1.00 74.22 H new ATOM 0 HH22 ARG A 71 7.802 -7.176 0.507 1.00 74.22 H new