USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 431 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 31 MET CE :methyl -163:sc= -0.0795 (180deg=-0.479) USER MOD Set 1.2: A 60 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 58 THR OG1 : rot -74:sc= -0.358 USER MOD Set 2.2: A 61 GLN : amide:sc= -0.536 K(o=-0.89,f=-4.1!) USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= -0.081 (180deg=-0.491) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0143 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.11 F(o=-2.5!,f=-0.11) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -164:sc= -0.0671 (180deg=-0.36) USER MOD ----------------------------------------------------------------- ATOM 349 N ASP A 24 -7.677 -6.209 1.231 1.00 62.42 N ATOM 350 CA ASP A 24 -6.345 -5.638 1.018 1.00 32.22 C ATOM 351 C ASP A 24 -5.325 -6.278 1.973 1.00 71.44 C ATOM 352 O ASP A 24 -4.224 -6.663 1.570 1.00 21.51 O ATOM 353 CB ASP A 24 -6.393 -4.123 1.233 1.00 30.43 C ATOM 354 CG ASP A 24 -7.558 -3.484 0.500 1.00 32.24 C ATOM 355 OD1 ASP A 24 -8.690 -3.533 1.031 1.00 61.10 O ATOM 356 OD2 ASP A 24 -7.356 -2.943 -0.603 1.00 11.50 O ATOM 0 HA ASP A 24 -6.032 -5.845 -0.006 1.00 32.22 H new ATOM 0 HB2 ASP A 24 -6.474 -3.910 2.299 1.00 30.43 H new ATOM 0 HB3 ASP A 24 -5.459 -3.678 0.889 1.00 30.43 H new ATOM 361 N GLU A 25 -5.714 -6.403 3.244 1.00 44.55 N ATOM 362 CA GLU A 25 -4.882 -7.070 4.251 1.00 15.53 C ATOM 363 C GLU A 25 -4.644 -8.547 3.898 1.00 52.23 C ATOM 364 O GLU A 25 -3.567 -9.085 4.144 1.00 42.34 O ATOM 365 CB GLU A 25 -5.534 -6.968 5.634 1.00 73.11 C ATOM 366 CG GLU A 25 -5.622 -5.549 6.182 1.00 43.03 C ATOM 367 CD GLU A 25 -6.304 -5.492 7.539 1.00 55.41 C ATOM 368 OE1 GLU A 25 -7.552 -5.426 7.579 1.00 51.30 O ATOM 369 OE2 GLU A 25 -5.599 -5.512 8.567 1.00 31.52 O ATOM 0 H GLU A 25 -6.602 -6.051 3.602 1.00 44.55 H new ATOM 0 HA GLU A 25 -3.917 -6.564 4.267 1.00 15.53 H new ATOM 0 HB2 GLU A 25 -6.539 -7.388 5.581 1.00 73.11 H new ATOM 0 HB3 GLU A 25 -4.969 -7.582 6.336 1.00 73.11 H new ATOM 0 HG2 GLU A 25 -4.618 -5.132 6.265 1.00 43.03 H new ATOM 0 HG3 GLU A 25 -6.170 -4.924 5.477 1.00 43.03 H new ATOM 376 N ARG A 26 -5.653 -9.197 3.317 1.00 1.12 N ATOM 377 CA ARG A 26 -5.532 -10.603 2.906 1.00 43.13 C ATOM 378 C ARG A 26 -4.434 -10.785 1.846 1.00 4.21 C ATOM 379 O ARG A 26 -3.686 -11.764 1.877 1.00 52.30 O ATOM 380 CB ARG A 26 -6.880 -11.130 2.392 1.00 0.23 C ATOM 381 CG ARG A 26 -7.950 -11.200 3.475 1.00 25.04 C ATOM 382 CD ARG A 26 -7.542 -12.144 4.602 1.00 32.34 C ATOM 383 NE ARG A 26 -8.439 -12.056 5.750 1.00 14.53 N ATOM 384 CZ ARG A 26 -8.293 -12.744 6.850 1.00 72.35 C ATOM 385 NH1 ARG A 26 -7.353 -13.631 6.950 1.00 20.22 N ATOM 386 NH2 ARG A 26 -9.104 -12.555 7.838 1.00 33.02 N ATOM 0 H ARG A 26 -6.561 -8.777 3.119 1.00 1.12 H new ATOM 0 HA ARG A 26 -5.243 -11.185 3.781 1.00 43.13 H new ATOM 0 HB2 ARG A 26 -7.231 -10.486 1.585 1.00 0.23 H new ATOM 0 HB3 ARG A 26 -6.736 -12.124 1.968 1.00 0.23 H new ATOM 0 HG2 ARG A 26 -8.126 -10.203 3.879 1.00 25.04 H new ATOM 0 HG3 ARG A 26 -8.890 -11.537 3.038 1.00 25.04 H new ATOM 0 HD2 ARG A 26 -7.532 -13.168 4.229 1.00 32.34 H new ATOM 0 HD3 ARG A 26 -6.526 -11.910 4.919 1.00 32.34 H new ATOM 0 HE ARG A 26 -9.231 -11.416 5.689 1.00 14.53 H new ATOM 0 HH11 ARG A 26 -6.721 -13.795 6.166 1.00 20.22 H new ATOM 0 HH12 ARG A 26 -7.245 -14.165 7.813 1.00 20.22 H new ATOM 0 HH21 ARG A 26 -9.855 -11.870 7.757 1.00 33.02 H new ATOM 0 HH22 ARG A 26 -8.993 -13.091 8.699 1.00 33.02 H new ATOM 400 N ARG A 27 -4.338 -9.843 0.908 1.00 31.43 N ATOM 401 CA ARG A 27 -3.209 -9.816 -0.031 1.00 74.01 C ATOM 402 C ARG A 27 -1.893 -9.527 0.714 1.00 51.13 C ATOM 403 O ARG A 27 -0.868 -10.168 0.471 1.00 1.54 O ATOM 404 CB ARG A 27 -3.417 -8.753 -1.124 1.00 74.31 C ATOM 405 CG ARG A 27 -4.301 -9.173 -2.301 1.00 51.04 C ATOM 406 CD ARG A 27 -5.783 -9.231 -1.950 1.00 4.01 C ATOM 407 NE ARG A 27 -6.178 -10.495 -1.335 1.00 20.14 N ATOM 408 CZ ARG A 27 -7.406 -10.940 -1.330 1.00 52.14 C ATOM 409 NH1 ARG A 27 -8.351 -10.267 -1.904 1.00 65.51 N ATOM 410 NH2 ARG A 27 -7.691 -12.064 -0.761 1.00 75.21 N ATOM 0 H ARG A 27 -5.018 -9.095 0.776 1.00 31.43 H new ATOM 0 HA ARG A 27 -3.153 -10.797 -0.502 1.00 74.01 H new ATOM 0 HB2 ARG A 27 -3.854 -7.867 -0.664 1.00 74.31 H new ATOM 0 HB3 ARG A 27 -2.441 -8.462 -1.512 1.00 74.31 H new ATOM 0 HG2 ARG A 27 -4.156 -8.472 -3.123 1.00 51.04 H new ATOM 0 HG3 ARG A 27 -3.980 -10.152 -2.656 1.00 51.04 H new ATOM 0 HD2 ARG A 27 -6.021 -8.413 -1.270 1.00 4.01 H new ATOM 0 HD3 ARG A 27 -6.371 -9.075 -2.855 1.00 4.01 H new ATOM 0 HE ARG A 27 -5.457 -11.060 -0.886 1.00 20.14 H new ATOM 0 HH11 ARG A 27 -8.139 -9.382 -2.365 1.00 65.51 H new ATOM 0 HH12 ARG A 27 -9.307 -10.622 -1.895 1.00 65.51 H new ATOM 0 HH21 ARG A 27 -6.955 -12.609 -0.312 1.00 75.21 H new ATOM 0 HH22 ARG A 27 -8.652 -12.406 -0.760 1.00 75.21 H new ATOM 424 N ALA A 28 -1.944 -8.554 1.625 1.00 23.25 N ATOM 425 CA ALA A 28 -0.768 -8.125 2.392 1.00 50.02 C ATOM 426 C ALA A 28 -0.105 -9.291 3.144 1.00 73.13 C ATOM 427 O ALA A 28 1.076 -9.577 2.942 1.00 63.24 O ATOM 428 CB ALA A 28 -1.156 -7.016 3.369 1.00 12.45 C ATOM 0 H ALA A 28 -2.796 -8.042 1.853 1.00 23.25 H new ATOM 0 HA ALA A 28 -0.036 -7.744 1.680 1.00 50.02 H new ATOM 0 HB1 ALA A 28 -0.277 -6.704 3.933 1.00 12.45 H new ATOM 0 HB2 ALA A 28 -1.552 -6.165 2.815 1.00 12.45 H new ATOM 0 HB3 ALA A 28 -1.916 -7.386 4.057 1.00 12.45 H new ATOM 434 N LEU A 29 -0.866 -9.965 4.007 1.00 14.12 N ATOM 435 CA LEU A 29 -0.338 -11.084 4.801 1.00 40.20 C ATOM 436 C LEU A 29 0.112 -12.259 3.914 1.00 60.21 C ATOM 437 O LEU A 29 1.028 -13.001 4.272 1.00 55.22 O ATOM 438 CB LEU A 29 -1.382 -11.534 5.847 1.00 51.31 C ATOM 439 CG LEU A 29 -2.765 -11.957 5.302 1.00 2.15 C ATOM 440 CD1 LEU A 29 -2.769 -13.418 4.851 1.00 52.01 C ATOM 441 CD2 LEU A 29 -3.853 -11.707 6.346 1.00 63.32 C ATOM 0 H LEU A 29 -1.850 -9.758 4.177 1.00 14.12 H new ATOM 0 HA LEU A 29 0.550 -10.733 5.326 1.00 40.20 H new ATOM 0 HB2 LEU A 29 -0.965 -12.371 6.407 1.00 51.31 H new ATOM 0 HB3 LEU A 29 -1.529 -10.719 6.555 1.00 51.31 H new ATOM 0 HG LEU A 29 -2.978 -11.344 4.426 1.00 2.15 H new ATOM 0 HD11 LEU A 29 -3.758 -13.680 4.474 1.00 52.01 H new ATOM 0 HD12 LEU A 29 -2.031 -13.557 4.061 1.00 52.01 H new ATOM 0 HD13 LEU A 29 -2.521 -14.060 5.696 1.00 52.01 H new ATOM 0 HD21 LEU A 29 -4.820 -12.011 5.944 1.00 63.32 H new ATOM 0 HD22 LEU A 29 -3.635 -12.285 7.244 1.00 63.32 H new ATOM 0 HD23 LEU A 29 -3.881 -10.646 6.595 1.00 63.32 H new ATOM 453 N ALA A 30 -0.527 -12.418 2.756 1.00 5.52 N ATOM 454 CA ALA A 30 -0.149 -13.470 1.802 1.00 64.41 C ATOM 455 C ALA A 30 1.226 -13.188 1.175 1.00 60.02 C ATOM 456 O ALA A 30 2.042 -14.097 0.990 1.00 15.42 O ATOM 457 CB ALA A 30 -1.212 -13.605 0.719 1.00 75.53 C ATOM 0 H ALA A 30 -1.307 -11.836 2.452 1.00 5.52 H new ATOM 0 HA ALA A 30 -0.079 -14.411 2.347 1.00 64.41 H new ATOM 0 HB1 ALA A 30 -0.920 -14.387 0.018 1.00 75.53 H new ATOM 0 HB2 ALA A 30 -2.167 -13.865 1.177 1.00 75.53 H new ATOM 0 HB3 ALA A 30 -1.311 -12.659 0.186 1.00 75.53 H new ATOM 463 N MET A 31 1.473 -11.922 0.846 1.00 53.51 N ATOM 464 CA MET A 31 2.771 -11.495 0.304 1.00 60.30 C ATOM 465 C MET A 31 3.760 -11.156 1.430 1.00 13.45 C ATOM 466 O MET A 31 4.954 -10.974 1.179 1.00 10.15 O ATOM 467 CB MET A 31 2.590 -10.286 -0.619 1.00 62.01 C ATOM 468 CG MET A 31 1.733 -10.577 -1.844 1.00 24.42 C ATOM 469 SD MET A 31 2.416 -11.886 -2.876 1.00 52.41 S ATOM 470 CE MET A 31 3.987 -11.166 -3.359 1.00 3.13 C ATOM 0 H MET A 31 0.793 -11.168 0.944 1.00 53.51 H new ATOM 0 HA MET A 31 3.183 -12.324 -0.271 1.00 60.30 H new ATOM 0 HB2 MET A 31 2.136 -9.472 -0.053 1.00 62.01 H new ATOM 0 HB3 MET A 31 3.570 -9.939 -0.946 1.00 62.01 H new ATOM 0 HG2 MET A 31 0.731 -10.860 -1.522 1.00 24.42 H new ATOM 0 HG3 MET A 31 1.633 -9.668 -2.437 1.00 24.42 H new ATOM 0 HE1 MET A 31 4.384 -11.704 -4.220 1.00 3.13 H new ATOM 0 HE2 MET A 31 3.842 -10.118 -3.621 1.00 3.13 H new ATOM 0 HE3 MET A 31 4.691 -11.238 -2.530 1.00 3.13 H new ATOM 480 N LYS A 32 3.244 -11.083 2.663 1.00 30.00 N ATOM 481 CA LYS A 32 4.046 -10.812 3.870 1.00 11.43 C ATOM 482 C LYS A 32 4.432 -9.325 3.987 1.00 13.41 C ATOM 483 O LYS A 32 5.608 -8.957 3.933 1.00 5.51 O ATOM 484 CB LYS A 32 5.287 -11.721 3.921 1.00 13.45 C ATOM 485 CG LYS A 32 4.946 -13.204 3.802 1.00 41.34 C ATOM 486 CD LYS A 32 6.191 -14.085 3.767 1.00 51.53 C ATOM 487 CE LYS A 32 5.829 -15.548 3.530 1.00 42.34 C ATOM 488 NZ LYS A 32 5.103 -15.733 2.243 1.00 54.13 N ATOM 0 H LYS A 32 2.251 -11.211 2.856 1.00 30.00 H new ATOM 0 HA LYS A 32 3.422 -11.044 4.733 1.00 11.43 H new ATOM 0 HB2 LYS A 32 5.966 -11.444 3.115 1.00 13.45 H new ATOM 0 HB3 LYS A 32 5.817 -11.550 4.858 1.00 13.45 H new ATOM 0 HG2 LYS A 32 4.319 -13.499 4.644 1.00 41.34 H new ATOM 0 HG3 LYS A 32 4.362 -13.368 2.896 1.00 41.34 H new ATOM 0 HD2 LYS A 32 6.860 -13.741 2.978 1.00 51.53 H new ATOM 0 HD3 LYS A 32 6.733 -13.990 4.708 1.00 51.53 H new ATOM 0 HE2 LYS A 32 6.737 -16.152 3.526 1.00 42.34 H new ATOM 0 HE3 LYS A 32 5.210 -15.908 4.352 1.00 42.34 H new ATOM 0 HZ1 LYS A 32 5.140 -16.734 1.964 1.00 54.13 H new ATOM 0 HZ2 LYS A 32 4.111 -15.442 2.359 1.00 54.13 H new ATOM 0 HZ3 LYS A 32 5.550 -15.152 1.506 1.00 54.13 H new ATOM 502 N ILE A 33 3.413 -8.474 4.133 1.00 12.41 N ATOM 503 CA ILE A 33 3.607 -7.032 4.357 1.00 73.43 C ATOM 504 C ILE A 33 3.559 -6.701 5.867 1.00 21.03 C ATOM 505 O ILE A 33 2.539 -6.910 6.520 1.00 1.11 O ATOM 506 CB ILE A 33 2.522 -6.204 3.613 1.00 22.11 C ATOM 507 CG1 ILE A 33 2.572 -6.479 2.098 1.00 51.12 C ATOM 508 CG2 ILE A 33 2.681 -4.709 3.895 1.00 22.31 C ATOM 509 CD1 ILE A 33 3.869 -6.064 1.436 1.00 60.42 C ATOM 0 H ILE A 33 2.434 -8.759 4.100 1.00 12.41 H new ATOM 0 HA ILE A 33 4.588 -6.767 3.963 1.00 73.43 H new ATOM 0 HB ILE A 33 1.547 -6.515 3.988 1.00 22.11 H new ATOM 0 HG12 ILE A 33 2.414 -7.544 1.928 1.00 51.12 H new ATOM 0 HG13 ILE A 33 1.747 -5.954 1.617 1.00 51.12 H new ATOM 0 HG21 ILE A 33 1.909 -4.154 3.362 1.00 22.31 H new ATOM 0 HG22 ILE A 33 2.584 -4.528 4.966 1.00 22.31 H new ATOM 0 HG23 ILE A 33 3.664 -4.378 3.559 1.00 22.31 H new ATOM 0 HD11 ILE A 33 3.823 -6.291 0.371 1.00 60.42 H new ATOM 0 HD12 ILE A 33 4.021 -4.993 1.572 1.00 60.42 H new ATOM 0 HD13 ILE A 33 4.698 -6.608 1.888 1.00 60.42 H new ATOM 521 N PRO A 34 4.664 -6.177 6.438 1.00 2.32 N ATOM 522 CA PRO A 34 4.768 -5.919 7.889 1.00 63.03 C ATOM 523 C PRO A 34 4.108 -4.605 8.363 1.00 63.54 C ATOM 524 O PRO A 34 4.261 -4.218 9.523 1.00 24.02 O ATOM 525 CB PRO A 34 6.282 -5.866 8.100 1.00 51.02 C ATOM 526 CG PRO A 34 6.819 -5.310 6.822 1.00 65.15 C ATOM 527 CD PRO A 34 5.910 -5.814 5.727 1.00 11.11 C ATOM 0 HA PRO A 34 4.241 -6.680 8.464 1.00 63.03 H new ATOM 0 HB2 PRO A 34 6.542 -5.233 8.948 1.00 51.02 H new ATOM 0 HB3 PRO A 34 6.689 -6.856 8.304 1.00 51.02 H new ATOM 0 HG2 PRO A 34 6.831 -4.220 6.847 1.00 65.15 H new ATOM 0 HG3 PRO A 34 7.846 -5.637 6.657 1.00 65.15 H new ATOM 0 HD2 PRO A 34 5.731 -5.048 4.972 1.00 11.11 H new ATOM 0 HD3 PRO A 34 6.342 -6.673 5.213 1.00 11.11 H new ATOM 535 N PHE A 35 3.369 -3.929 7.484 1.00 53.10 N ATOM 536 CA PHE A 35 2.707 -2.662 7.843 1.00 61.45 C ATOM 537 C PHE A 35 1.242 -2.618 7.352 1.00 61.44 C ATOM 538 O PHE A 35 0.895 -3.237 6.345 1.00 74.14 O ATOM 539 CB PHE A 35 3.506 -1.459 7.306 1.00 25.53 C ATOM 540 CG PHE A 35 3.930 -1.575 5.865 1.00 32.30 C ATOM 541 CD1 PHE A 35 3.100 -1.153 4.837 1.00 15.24 C ATOM 542 CD2 PHE A 35 5.173 -2.097 5.539 1.00 62.22 C ATOM 543 CE1 PHE A 35 3.500 -1.251 3.517 1.00 4.31 C ATOM 544 CE2 PHE A 35 5.576 -2.196 4.223 1.00 74.33 C ATOM 545 CZ PHE A 35 4.738 -1.773 3.210 1.00 51.14 C ATOM 0 H PHE A 35 3.210 -4.230 6.522 1.00 53.10 H new ATOM 0 HA PHE A 35 2.683 -2.602 8.931 1.00 61.45 H new ATOM 0 HB2 PHE A 35 2.902 -0.559 7.421 1.00 25.53 H new ATOM 0 HB3 PHE A 35 4.395 -1.327 7.922 1.00 25.53 H new ATOM 0 HD1 PHE A 35 2.129 -0.743 5.071 1.00 15.24 H new ATOM 0 HD2 PHE A 35 5.834 -2.430 6.325 1.00 62.22 H new ATOM 0 HE1 PHE A 35 2.843 -0.919 2.727 1.00 4.31 H new ATOM 0 HE2 PHE A 35 6.547 -2.604 3.985 1.00 74.33 H new ATOM 0 HZ PHE A 35 5.052 -1.851 2.180 1.00 51.14 H new ATOM 555 N PRO A 36 0.361 -1.884 8.074 1.00 74.10 N ATOM 556 CA PRO A 36 -1.091 -1.854 7.787 1.00 14.42 C ATOM 557 C PRO A 36 -1.470 -1.106 6.491 1.00 11.10 C ATOM 558 O PRO A 36 -0.769 -0.192 6.047 1.00 22.31 O ATOM 559 CB PRO A 36 -1.668 -1.124 9.007 1.00 75.03 C ATOM 560 CG PRO A 36 -0.557 -0.250 9.478 1.00 74.32 C ATOM 561 CD PRO A 36 0.707 -1.029 9.230 1.00 2.11 C ATOM 0 HA PRO A 36 -1.476 -2.861 7.627 1.00 14.42 H new ATOM 0 HB2 PRO A 36 -2.548 -0.539 8.740 1.00 75.03 H new ATOM 0 HB3 PRO A 36 -1.976 -1.827 9.781 1.00 75.03 H new ATOM 0 HG2 PRO A 36 -0.547 0.696 8.937 1.00 74.32 H new ATOM 0 HG3 PRO A 36 -0.668 -0.011 10.536 1.00 74.32 H new ATOM 0 HD2 PRO A 36 1.547 -0.371 9.006 1.00 2.11 H new ATOM 0 HD3 PRO A 36 0.990 -1.623 10.099 1.00 2.11 H new ATOM 569 N THR A 37 -2.621 -1.478 5.924 1.00 72.02 N ATOM 570 CA THR A 37 -3.110 -0.905 4.658 1.00 21.31 C ATOM 571 C THR A 37 -3.499 0.574 4.799 1.00 43.45 C ATOM 572 O THR A 37 -3.241 1.381 3.906 1.00 2.12 O ATOM 573 CB THR A 37 -4.345 -1.676 4.136 1.00 4.12 C ATOM 574 OG1 THR A 37 -5.440 -1.520 5.054 1.00 0.32 O ATOM 575 CG2 THR A 37 -4.028 -3.157 3.958 1.00 2.34 C ATOM 0 H THR A 37 -3.241 -2.182 6.324 1.00 72.02 H new ATOM 0 HA THR A 37 -2.283 -0.992 3.953 1.00 21.31 H new ATOM 0 HB THR A 37 -4.621 -1.265 3.165 1.00 4.12 H new ATOM 0 HG1 THR A 37 -6.220 -2.009 4.718 1.00 0.32 H new ATOM 0 HG21 THR A 37 -4.913 -3.677 3.590 1.00 2.34 H new ATOM 0 HG22 THR A 37 -3.215 -3.271 3.241 1.00 2.34 H new ATOM 0 HG23 THR A 37 -3.729 -3.583 4.916 1.00 2.34 H new ATOM 583 N ASP A 38 -4.132 0.918 5.922 1.00 43.54 N ATOM 584 CA ASP A 38 -4.599 2.287 6.174 1.00 42.14 C ATOM 585 C ASP A 38 -3.468 3.315 5.998 1.00 71.12 C ATOM 586 O ASP A 38 -3.617 4.304 5.276 1.00 25.11 O ATOM 587 CB ASP A 38 -5.180 2.379 7.585 1.00 51.12 C ATOM 588 CG ASP A 38 -6.180 1.267 7.852 1.00 45.31 C ATOM 589 OD1 ASP A 38 -7.371 1.433 7.521 1.00 72.35 O ATOM 590 OD2 ASP A 38 -5.768 0.211 8.379 1.00 50.51 O ATOM 0 H ASP A 38 -4.335 0.264 6.678 1.00 43.54 H new ATOM 0 HA ASP A 38 -5.372 2.521 5.442 1.00 42.14 H new ATOM 0 HB2 ASP A 38 -4.373 2.326 8.316 1.00 51.12 H new ATOM 0 HB3 ASP A 38 -5.666 3.346 7.717 1.00 51.12 H new ATOM 595 N LYS A 39 -2.332 3.065 6.652 1.00 62.54 N ATOM 596 CA LYS A 39 -1.160 3.935 6.524 1.00 14.24 C ATOM 597 C LYS A 39 -0.706 4.043 5.056 1.00 70.42 C ATOM 598 O LYS A 39 -0.422 5.136 4.565 1.00 11.44 O ATOM 599 CB LYS A 39 -0.012 3.415 7.406 1.00 32.23 C ATOM 600 CG LYS A 39 1.266 4.250 7.310 1.00 51.23 C ATOM 601 CD LYS A 39 2.347 3.782 8.286 1.00 4.22 C ATOM 602 CE LYS A 39 1.952 4.031 9.740 1.00 14.42 C ATOM 603 NZ LYS A 39 3.062 3.719 10.678 1.00 63.23 N ATOM 0 H LYS A 39 -2.198 2.268 7.275 1.00 62.54 H new ATOM 0 HA LYS A 39 -1.439 4.933 6.862 1.00 14.24 H new ATOM 0 HB2 LYS A 39 -0.344 3.394 8.444 1.00 32.23 H new ATOM 0 HB3 LYS A 39 0.214 2.387 7.123 1.00 32.23 H new ATOM 0 HG2 LYS A 39 1.653 4.199 6.292 1.00 51.23 H new ATOM 0 HG3 LYS A 39 1.029 5.295 7.509 1.00 51.23 H new ATOM 0 HD2 LYS A 39 2.533 2.718 8.138 1.00 4.22 H new ATOM 0 HD3 LYS A 39 3.280 4.302 8.070 1.00 4.22 H new ATOM 0 HE2 LYS A 39 1.656 5.073 9.862 1.00 14.42 H new ATOM 0 HE3 LYS A 39 1.084 3.421 9.990 1.00 14.42 H new ATOM 0 HZ1 LYS A 39 2.753 3.901 11.654 1.00 63.23 H new ATOM 0 HZ2 LYS A 39 3.328 2.718 10.580 1.00 63.23 H new ATOM 0 HZ3 LYS A 39 3.882 4.319 10.457 1.00 63.23 H new ATOM 617 N ILE A 40 -0.661 2.902 4.363 1.00 11.42 N ATOM 618 CA ILE A 40 -0.309 2.859 2.934 1.00 64.44 C ATOM 619 C ILE A 40 -1.118 3.878 2.117 1.00 72.34 C ATOM 620 O ILE A 40 -0.566 4.641 1.322 1.00 32.03 O ATOM 621 CB ILE A 40 -0.559 1.444 2.343 1.00 64.52 C ATOM 622 CG1 ILE A 40 0.323 0.397 3.044 1.00 24.12 C ATOM 623 CG2 ILE A 40 -0.320 1.436 0.834 1.00 41.41 C ATOM 624 CD1 ILE A 40 0.065 -1.029 2.587 1.00 33.01 C ATOM 0 H ILE A 40 -0.865 1.988 4.768 1.00 11.42 H new ATOM 0 HA ILE A 40 0.750 3.108 2.867 1.00 64.44 H new ATOM 0 HB ILE A 40 -1.602 1.181 2.520 1.00 64.52 H new ATOM 0 HG12 ILE A 40 1.370 0.641 2.867 1.00 24.12 H new ATOM 0 HG13 ILE A 40 0.159 0.459 4.120 1.00 24.12 H new ATOM 0 HG21 ILE A 40 -0.501 0.435 0.442 1.00 41.41 H new ATOM 0 HG22 ILE A 40 -0.998 2.142 0.354 1.00 41.41 H new ATOM 0 HG23 ILE A 40 0.710 1.726 0.627 1.00 41.41 H new ATOM 0 HD11 ILE A 40 0.725 -1.709 3.126 1.00 33.01 H new ATOM 0 HD12 ILE A 40 -0.973 -1.294 2.789 1.00 33.01 H new ATOM 0 HD13 ILE A 40 0.258 -1.109 1.517 1.00 33.01 H new ATOM 636 N VAL A 41 -2.432 3.880 2.321 1.00 0.33 N ATOM 637 CA VAL A 41 -3.333 4.768 1.583 1.00 40.45 C ATOM 638 C VAL A 41 -3.147 6.242 1.989 1.00 3.11 C ATOM 639 O VAL A 41 -3.166 7.137 1.139 1.00 20.33 O ATOM 640 CB VAL A 41 -4.812 4.360 1.811 1.00 5.10 C ATOM 641 CG1 VAL A 41 -5.763 5.273 1.037 1.00 31.40 C ATOM 642 CG2 VAL A 41 -5.034 2.898 1.427 1.00 42.12 C ATOM 0 H VAL A 41 -2.901 3.274 2.994 1.00 0.33 H new ATOM 0 HA VAL A 41 -3.082 4.667 0.527 1.00 40.45 H new ATOM 0 HB VAL A 41 -5.030 4.473 2.873 1.00 5.10 H new ATOM 0 HG11 VAL A 41 -6.792 4.962 1.217 1.00 31.40 H new ATOM 0 HG12 VAL A 41 -5.631 6.302 1.371 1.00 31.40 H new ATOM 0 HG13 VAL A 41 -5.545 5.206 -0.029 1.00 31.40 H new ATOM 0 HG21 VAL A 41 -6.078 2.632 1.595 1.00 42.12 H new ATOM 0 HG22 VAL A 41 -4.788 2.757 0.375 1.00 42.12 H new ATOM 0 HG23 VAL A 41 -4.395 2.260 2.038 1.00 42.12 H new ATOM 652 N ASN A 42 -2.950 6.488 3.285 1.00 33.42 N ATOM 653 CA ASN A 42 -2.889 7.864 3.809 1.00 70.14 C ATOM 654 C ASN A 42 -1.553 8.566 3.508 1.00 72.41 C ATOM 655 O ASN A 42 -1.504 9.798 3.414 1.00 43.13 O ATOM 656 CB ASN A 42 -3.164 7.886 5.323 1.00 60.42 C ATOM 657 CG ASN A 42 -4.615 7.573 5.667 1.00 32.42 C ATOM 658 OD1 ASN A 42 -5.238 6.681 4.924 1.00 74.32 O flip ATOM 659 ND2 ASN A 42 -5.172 8.129 6.606 1.00 53.52 N flip ATOM 0 H ASN A 42 -2.830 5.762 3.991 1.00 33.42 H new ATOM 0 HA ASN A 42 -3.668 8.421 3.289 1.00 70.14 H new ATOM 0 HB2 ASN A 42 -2.515 7.162 5.816 1.00 60.42 H new ATOM 0 HB3 ASN A 42 -2.905 8.868 5.720 1.00 60.42 H new ATOM 0 HD21 ASN A 42 -4.666 8.816 7.165 1.00 53.52 H new ATOM 0 HD22 ASN A 42 -6.142 7.905 6.829 1.00 53.52 H new ATOM 666 N LEU A 43 -0.474 7.799 3.364 1.00 32.40 N ATOM 667 CA LEU A 43 0.847 8.376 3.063 1.00 0.52 C ATOM 668 C LEU A 43 0.908 8.969 1.642 1.00 51.43 C ATOM 669 O LEU A 43 0.509 8.321 0.669 1.00 34.11 O ATOM 670 CB LEU A 43 1.960 7.326 3.235 1.00 41.24 C ATOM 671 CG LEU A 43 2.219 6.865 4.682 1.00 24.14 C ATOM 672 CD1 LEU A 43 3.365 5.855 4.731 1.00 23.52 C ATOM 673 CD2 LEU A 43 2.512 8.060 5.590 1.00 0.31 C ATOM 0 H LEU A 43 -0.481 6.783 3.449 1.00 32.40 H new ATOM 0 HA LEU A 43 1.005 9.186 3.775 1.00 0.52 H new ATOM 0 HB2 LEU A 43 1.708 6.453 2.634 1.00 41.24 H new ATOM 0 HB3 LEU A 43 2.886 7.734 2.831 1.00 41.24 H new ATOM 0 HG LEU A 43 1.317 6.375 5.048 1.00 24.14 H new ATOM 0 HD11 LEU A 43 3.531 5.543 5.762 1.00 23.52 H new ATOM 0 HD12 LEU A 43 3.110 4.986 4.125 1.00 23.52 H new ATOM 0 HD13 LEU A 43 4.273 6.315 4.341 1.00 23.52 H new ATOM 0 HD21 LEU A 43 2.692 7.709 6.606 1.00 0.31 H new ATOM 0 HD22 LEU A 43 3.395 8.586 5.226 1.00 0.31 H new ATOM 0 HD23 LEU A 43 1.659 8.738 5.586 1.00 0.31 H new ATOM 685 N PRO A 44 1.398 10.220 1.505 1.00 65.23 N ATOM 686 CA PRO A 44 1.569 10.870 0.189 1.00 34.00 C ATOM 687 C PRO A 44 2.677 10.219 -0.664 1.00 30.34 C ATOM 688 O PRO A 44 3.315 9.259 -0.239 1.00 65.32 O ATOM 689 CB PRO A 44 1.932 12.316 0.546 1.00 52.24 C ATOM 690 CG PRO A 44 2.507 12.243 1.922 1.00 34.23 C ATOM 691 CD PRO A 44 1.801 11.108 2.615 1.00 14.35 C ATOM 0 HA PRO A 44 0.670 10.783 -0.422 1.00 34.00 H new ATOM 0 HB2 PRO A 44 2.652 12.728 -0.161 1.00 52.24 H new ATOM 0 HB3 PRO A 44 1.054 12.961 0.519 1.00 52.24 H new ATOM 0 HG2 PRO A 44 3.582 12.068 1.885 1.00 34.23 H new ATOM 0 HG3 PRO A 44 2.355 13.180 2.457 1.00 34.23 H new ATOM 0 HD2 PRO A 44 2.458 10.597 3.319 1.00 14.35 H new ATOM 0 HD3 PRO A 44 0.938 11.459 3.181 1.00 14.35 H new ATOM 699 N VAL A 45 2.917 10.768 -1.862 1.00 32.42 N ATOM 700 CA VAL A 45 3.814 10.140 -2.848 1.00 42.45 C ATOM 701 C VAL A 45 5.228 9.824 -2.298 1.00 51.02 C ATOM 702 O VAL A 45 5.655 8.667 -2.322 1.00 41.54 O ATOM 703 CB VAL A 45 3.924 10.998 -4.144 1.00 55.33 C ATOM 704 CG1 VAL A 45 4.373 12.425 -3.832 1.00 23.43 C ATOM 705 CG2 VAL A 45 4.858 10.338 -5.163 1.00 1.35 C ATOM 0 H VAL A 45 2.503 11.646 -2.174 1.00 32.42 H new ATOM 0 HA VAL A 45 3.350 9.183 -3.086 1.00 42.45 H new ATOM 0 HB VAL A 45 2.930 11.055 -4.587 1.00 55.33 H new ATOM 0 HG11 VAL A 45 4.439 12.996 -4.758 1.00 23.43 H new ATOM 0 HG12 VAL A 45 3.650 12.896 -3.166 1.00 23.43 H new ATOM 0 HG13 VAL A 45 5.350 12.402 -3.349 1.00 23.43 H new ATOM 0 HG21 VAL A 45 4.916 10.958 -6.058 1.00 1.35 H new ATOM 0 HG22 VAL A 45 5.852 10.232 -4.730 1.00 1.35 H new ATOM 0 HG23 VAL A 45 4.471 9.354 -5.428 1.00 1.35 H new ATOM 715 N ASP A 46 5.947 10.832 -1.792 1.00 30.14 N ATOM 716 CA ASP A 46 7.328 10.633 -1.322 1.00 1.43 C ATOM 717 C ASP A 46 7.387 9.697 -0.104 1.00 11.54 C ATOM 718 O ASP A 46 8.172 8.747 -0.076 1.00 72.43 O ATOM 719 CB ASP A 46 7.985 11.979 -0.985 1.00 72.20 C ATOM 720 CG ASP A 46 8.156 12.861 -2.208 1.00 41.12 C ATOM 721 OD1 ASP A 46 7.201 13.573 -2.576 1.00 5.22 O ATOM 722 OD2 ASP A 46 9.250 12.848 -2.811 1.00 13.44 O ATOM 0 H ASP A 46 5.602 11.787 -1.697 1.00 30.14 H new ATOM 0 HA ASP A 46 7.881 10.161 -2.134 1.00 1.43 H new ATOM 0 HB2 ASP A 46 7.378 12.501 -0.245 1.00 72.20 H new ATOM 0 HB3 ASP A 46 8.959 11.801 -0.530 1.00 72.20 H new ATOM 727 N ASP A 47 6.549 9.965 0.899 1.00 53.15 N ATOM 728 CA ASP A 47 6.504 9.142 2.113 1.00 55.14 C ATOM 729 C ASP A 47 6.127 7.688 1.791 1.00 61.01 C ATOM 730 O ASP A 47 6.622 6.751 2.421 1.00 61.14 O ATOM 731 CB ASP A 47 5.515 9.745 3.114 1.00 11.22 C ATOM 732 CG ASP A 47 5.937 11.136 3.546 1.00 3.43 C ATOM 733 OD1 ASP A 47 5.705 12.093 2.780 1.00 22.22 O ATOM 734 OD2 ASP A 47 6.523 11.277 4.642 1.00 75.22 O ATOM 0 H ASP A 47 5.892 10.745 0.896 1.00 53.15 H new ATOM 0 HA ASP A 47 7.500 9.132 2.556 1.00 55.14 H new ATOM 0 HB2 ASP A 47 4.523 9.788 2.665 1.00 11.22 H new ATOM 0 HB3 ASP A 47 5.441 9.098 3.988 1.00 11.22 H new ATOM 739 N PHE A 48 5.258 7.512 0.799 1.00 61.33 N ATOM 740 CA PHE A 48 4.888 6.184 0.307 1.00 42.51 C ATOM 741 C PHE A 48 6.113 5.438 -0.256 1.00 44.55 C ATOM 742 O PHE A 48 6.372 4.285 0.098 1.00 10.12 O ATOM 743 CB PHE A 48 3.802 6.316 -0.772 1.00 75.34 C ATOM 744 CG PHE A 48 3.426 5.012 -1.428 1.00 74.53 C ATOM 745 CD1 PHE A 48 2.588 4.112 -0.788 1.00 32.32 C ATOM 746 CD2 PHE A 48 3.916 4.686 -2.687 1.00 34.42 C ATOM 747 CE1 PHE A 48 2.245 2.917 -1.388 1.00 40.34 C ATOM 748 CE2 PHE A 48 3.575 3.492 -3.289 1.00 71.32 C ATOM 749 CZ PHE A 48 2.739 2.606 -2.638 1.00 13.31 C ATOM 0 H PHE A 48 4.792 8.279 0.315 1.00 61.33 H new ATOM 0 HA PHE A 48 4.498 5.603 1.143 1.00 42.51 H new ATOM 0 HB2 PHE A 48 2.911 6.755 -0.324 1.00 75.34 H new ATOM 0 HB3 PHE A 48 4.148 7.010 -1.538 1.00 75.34 H new ATOM 0 HD1 PHE A 48 2.199 4.349 0.191 1.00 32.32 H new ATOM 0 HD2 PHE A 48 4.571 5.375 -3.200 1.00 34.42 H new ATOM 0 HE1 PHE A 48 1.590 2.226 -0.879 1.00 40.34 H new ATOM 0 HE2 PHE A 48 3.961 3.251 -4.268 1.00 71.32 H new ATOM 0 HZ PHE A 48 2.472 1.671 -3.107 1.00 13.31 H new ATOM 759 N ASN A 49 6.861 6.108 -1.135 1.00 63.30 N ATOM 760 CA ASN A 49 8.083 5.532 -1.709 1.00 61.13 C ATOM 761 C ASN A 49 9.104 5.197 -0.607 1.00 72.23 C ATOM 762 O ASN A 49 9.770 4.159 -0.653 1.00 32.24 O ATOM 763 CB ASN A 49 8.690 6.503 -2.728 1.00 31.44 C ATOM 764 CG ASN A 49 7.754 6.785 -3.892 1.00 74.44 C ATOM 765 OD1 ASN A 49 6.973 5.931 -4.301 1.00 12.41 O ATOM 766 ND2 ASN A 49 7.825 7.984 -4.437 1.00 53.52 N ATOM 0 H ASN A 49 6.644 7.048 -1.466 1.00 63.30 H new ATOM 0 HA ASN A 49 7.822 4.604 -2.217 1.00 61.13 H new ATOM 0 HB2 ASN A 49 8.937 7.440 -2.229 1.00 31.44 H new ATOM 0 HB3 ASN A 49 9.623 6.089 -3.109 1.00 31.44 H new ATOM 0 HD21 ASN A 49 7.220 8.224 -5.222 1.00 53.52 H new ATOM 0 HD22 ASN A 49 8.485 8.671 -4.073 1.00 53.52 H new ATOM 773 N GLU A 50 9.218 6.085 0.383 1.00 50.33 N ATOM 774 CA GLU A 50 10.055 5.835 1.562 1.00 72.23 C ATOM 775 C GLU A 50 9.625 4.555 2.285 1.00 35.10 C ATOM 776 O GLU A 50 10.452 3.698 2.589 1.00 33.25 O ATOM 777 CB GLU A 50 9.993 7.027 2.533 1.00 51.54 C ATOM 778 CG GLU A 50 10.801 8.241 2.083 1.00 13.14 C ATOM 779 CD GLU A 50 12.298 7.965 2.062 1.00 10.31 C ATOM 780 OE1 GLU A 50 12.924 7.974 3.146 1.00 31.52 O ATOM 781 OE2 GLU A 50 12.855 7.719 0.970 1.00 75.32 O ATOM 0 H GLU A 50 8.741 6.986 0.393 1.00 50.33 H new ATOM 0 HA GLU A 50 11.081 5.709 1.217 1.00 72.23 H new ATOM 0 HB2 GLU A 50 8.952 7.324 2.660 1.00 51.54 H new ATOM 0 HB3 GLU A 50 10.355 6.705 3.510 1.00 51.54 H new ATOM 0 HG2 GLU A 50 10.476 8.542 1.087 1.00 13.14 H new ATOM 0 HG3 GLU A 50 10.598 9.078 2.751 1.00 13.14 H new ATOM 788 N LEU A 51 8.324 4.427 2.540 1.00 1.14 N ATOM 789 CA LEU A 51 7.769 3.238 3.198 1.00 74.03 C ATOM 790 C LEU A 51 8.232 1.946 2.496 1.00 12.40 C ATOM 791 O LEU A 51 8.660 0.988 3.145 1.00 11.42 O ATOM 792 CB LEU A 51 6.235 3.319 3.199 1.00 41.32 C ATOM 793 CG LEU A 51 5.506 2.194 3.955 1.00 35.31 C ATOM 794 CD1 LEU A 51 5.834 2.237 5.444 1.00 43.20 C ATOM 795 CD2 LEU A 51 3.997 2.288 3.730 1.00 33.20 C ATOM 0 H LEU A 51 7.629 5.134 2.301 1.00 1.14 H new ATOM 0 HA LEU A 51 8.133 3.210 4.225 1.00 74.03 H new ATOM 0 HB2 LEU A 51 5.941 4.274 3.634 1.00 41.32 H new ATOM 0 HB3 LEU A 51 5.889 3.320 2.165 1.00 41.32 H new ATOM 0 HG LEU A 51 5.853 1.239 3.562 1.00 35.31 H new ATOM 0 HD11 LEU A 51 5.307 1.432 5.956 1.00 43.20 H new ATOM 0 HD12 LEU A 51 6.908 2.114 5.584 1.00 43.20 H new ATOM 0 HD13 LEU A 51 5.522 3.196 5.858 1.00 43.20 H new ATOM 0 HD21 LEU A 51 3.498 1.485 4.272 1.00 33.20 H new ATOM 0 HD22 LEU A 51 3.634 3.250 4.092 1.00 33.20 H new ATOM 0 HD23 LEU A 51 3.781 2.196 2.665 1.00 33.20 H new ATOM 807 N LEU A 52 8.158 1.935 1.167 1.00 15.22 N ATOM 808 CA LEU A 52 8.614 0.787 0.371 1.00 53.11 C ATOM 809 C LEU A 52 10.134 0.568 0.499 1.00 35.11 C ATOM 810 O LEU A 52 10.611 -0.567 0.519 1.00 34.03 O ATOM 811 CB LEU A 52 8.243 0.986 -1.106 1.00 72.11 C ATOM 812 CG LEU A 52 6.738 1.100 -1.401 1.00 44.54 C ATOM 813 CD1 LEU A 52 6.494 1.322 -2.893 1.00 43.42 C ATOM 814 CD2 LEU A 52 5.998 -0.142 -0.909 1.00 34.12 C ATOM 0 H LEU A 52 7.787 2.707 0.614 1.00 15.22 H new ATOM 0 HA LEU A 52 8.113 -0.100 0.760 1.00 53.11 H new ATOM 0 HB2 LEU A 52 8.736 1.888 -1.468 1.00 72.11 H new ATOM 0 HB3 LEU A 52 8.646 0.151 -1.679 1.00 72.11 H new ATOM 0 HG LEU A 52 6.349 1.964 -0.863 1.00 44.54 H new ATOM 0 HD11 LEU A 52 5.423 1.400 -3.079 1.00 43.42 H new ATOM 0 HD12 LEU A 52 6.985 2.243 -3.209 1.00 43.42 H new ATOM 0 HD13 LEU A 52 6.900 0.482 -3.457 1.00 43.42 H new ATOM 0 HD21 LEU A 52 4.935 -0.042 -1.127 1.00 34.12 H new ATOM 0 HD22 LEU A 52 6.391 -1.024 -1.415 1.00 34.12 H new ATOM 0 HD23 LEU A 52 6.140 -0.248 0.167 1.00 34.12 H new ATOM 826 N ALA A 53 10.885 1.661 0.584 1.00 41.23 N ATOM 827 CA ALA A 53 12.351 1.595 0.664 1.00 14.33 C ATOM 828 C ALA A 53 12.850 1.277 2.084 1.00 22.11 C ATOM 829 O ALA A 53 13.987 0.837 2.266 1.00 22.31 O ATOM 830 CB ALA A 53 12.954 2.908 0.174 1.00 25.10 C ATOM 0 H ALA A 53 10.507 2.608 0.600 1.00 41.23 H new ATOM 0 HA ALA A 53 12.677 0.776 0.022 1.00 14.33 H new ATOM 0 HB1 ALA A 53 14.041 2.854 0.235 1.00 25.10 H new ATOM 0 HB2 ALA A 53 12.657 3.081 -0.860 1.00 25.10 H new ATOM 0 HB3 ALA A 53 12.596 3.728 0.797 1.00 25.10 H new ATOM 836 N ARG A 54 12.001 1.499 3.084 1.00 11.14 N ATOM 837 CA ARG A 54 12.391 1.318 4.491 1.00 75.11 C ATOM 838 C ARG A 54 12.029 -0.077 5.033 1.00 55.21 C ATOM 839 O ARG A 54 12.237 -0.362 6.214 1.00 11.21 O ATOM 840 CB ARG A 54 11.743 2.413 5.350 1.00 71.45 C ATOM 841 CG ARG A 54 12.240 3.815 5.006 1.00 63.23 C ATOM 842 CD ARG A 54 11.522 4.892 5.808 1.00 15.42 C ATOM 843 NE ARG A 54 11.992 6.234 5.461 1.00 72.32 N ATOM 844 CZ ARG A 54 12.079 7.223 6.306 1.00 30.02 C ATOM 845 NH1 ARG A 54 11.795 7.046 7.555 1.00 41.41 N ATOM 846 NH2 ARG A 54 12.470 8.385 5.895 1.00 13.24 N ATOM 0 H ARG A 54 11.037 1.805 2.952 1.00 11.14 H new ATOM 0 HA ARG A 54 13.477 1.400 4.544 1.00 75.11 H new ATOM 0 HB2 ARG A 54 10.661 2.375 5.221 1.00 71.45 H new ATOM 0 HB3 ARG A 54 11.946 2.210 6.401 1.00 71.45 H new ATOM 0 HG2 ARG A 54 13.311 3.876 5.197 1.00 63.23 H new ATOM 0 HG3 ARG A 54 12.095 3.999 3.942 1.00 63.23 H new ATOM 0 HD2 ARG A 54 10.449 4.825 5.627 1.00 15.42 H new ATOM 0 HD3 ARG A 54 11.678 4.717 6.872 1.00 15.42 H new ATOM 0 HE ARG A 54 12.270 6.407 4.495 1.00 72.32 H new ATOM 0 HH11 ARG A 54 11.500 6.127 7.886 1.00 41.41 H new ATOM 0 HH12 ARG A 54 11.866 7.825 8.209 1.00 41.41 H new ATOM 0 HH21 ARG A 54 12.709 8.525 4.913 1.00 13.24 H new ATOM 0 HH22 ARG A 54 12.540 9.162 6.553 1.00 13.24 H new ATOM 860 N TYR A 55 11.493 -0.945 4.178 1.00 63.41 N ATOM 861 CA TYR A 55 11.153 -2.317 4.580 1.00 33.41 C ATOM 862 C TYR A 55 11.669 -3.353 3.568 1.00 64.30 C ATOM 863 O TYR A 55 11.769 -3.074 2.373 1.00 62.14 O ATOM 864 CB TYR A 55 9.634 -2.467 4.747 1.00 41.42 C ATOM 865 CG TYR A 55 9.088 -1.803 5.999 1.00 43.13 C ATOM 866 CD1 TYR A 55 9.041 -2.493 7.208 1.00 24.50 C ATOM 867 CD2 TYR A 55 8.626 -0.491 5.977 1.00 15.32 C ATOM 868 CE1 TYR A 55 8.547 -1.896 8.353 1.00 63.12 C ATOM 869 CE2 TYR A 55 8.132 0.110 7.118 1.00 23.03 C ATOM 870 CZ TYR A 55 8.095 -0.595 8.302 1.00 43.45 C ATOM 871 OH TYR A 55 7.598 0.003 9.441 1.00 31.41 O ATOM 0 H TYR A 55 11.283 -0.728 3.204 1.00 63.41 H new ATOM 0 HA TYR A 55 11.643 -2.505 5.535 1.00 33.41 H new ATOM 0 HB2 TYR A 55 9.138 -2.041 3.875 1.00 41.42 H new ATOM 0 HB3 TYR A 55 9.383 -3.527 4.770 1.00 41.42 H new ATOM 0 HD1 TYR A 55 9.397 -3.512 7.252 1.00 24.50 H new ATOM 0 HD2 TYR A 55 8.654 0.067 5.053 1.00 15.32 H new ATOM 0 HE1 TYR A 55 8.515 -2.446 9.282 1.00 63.12 H new ATOM 0 HE2 TYR A 55 7.776 1.129 7.083 1.00 23.03 H new ATOM 0 HH TYR A 55 7.323 0.921 9.235 1.00 31.41 H new ATOM 881 N PRO A 56 12.022 -4.568 4.037 1.00 11.35 N ATOM 882 CA PRO A 56 12.444 -5.663 3.148 1.00 21.12 C ATOM 883 C PRO A 56 11.261 -6.281 2.380 1.00 62.44 C ATOM 884 O PRO A 56 10.656 -7.270 2.815 1.00 0.14 O ATOM 885 CB PRO A 56 13.084 -6.673 4.114 1.00 11.11 C ATOM 886 CG PRO A 56 12.382 -6.445 5.411 1.00 13.23 C ATOM 887 CD PRO A 56 12.055 -4.970 5.461 1.00 40.12 C ATOM 0 HA PRO A 56 13.125 -5.328 2.366 1.00 21.12 H new ATOM 0 HB2 PRO A 56 12.950 -7.697 3.764 1.00 11.11 H new ATOM 0 HB3 PRO A 56 14.157 -6.507 4.209 1.00 11.11 H new ATOM 0 HG2 PRO A 56 11.475 -7.047 5.474 1.00 13.23 H new ATOM 0 HG3 PRO A 56 13.014 -6.732 6.251 1.00 13.23 H new ATOM 0 HD2 PRO A 56 11.098 -4.789 5.950 1.00 40.12 H new ATOM 0 HD3 PRO A 56 12.808 -4.412 6.017 1.00 40.12 H new ATOM 895 N LEU A 57 10.921 -5.676 1.245 1.00 3.34 N ATOM 896 CA LEU A 57 9.797 -6.135 0.422 1.00 72.00 C ATOM 897 C LEU A 57 10.266 -6.601 -0.963 1.00 64.43 C ATOM 898 O LEU A 57 11.028 -5.905 -1.636 1.00 74.14 O ATOM 899 CB LEU A 57 8.764 -5.011 0.251 1.00 61.21 C ATOM 900 CG LEU A 57 8.212 -4.414 1.555 1.00 33.40 C ATOM 901 CD1 LEU A 57 7.236 -3.282 1.251 1.00 23.15 C ATOM 902 CD2 LEU A 57 7.544 -5.494 2.406 1.00 52.11 C ATOM 0 H LEU A 57 11.408 -4.862 0.870 1.00 3.34 H new ATOM 0 HA LEU A 57 9.341 -6.980 0.938 1.00 72.00 H new ATOM 0 HB2 LEU A 57 9.219 -4.209 -0.331 1.00 61.21 H new ATOM 0 HB3 LEU A 57 7.929 -5.395 -0.334 1.00 61.21 H new ATOM 0 HG LEU A 57 9.046 -4.004 2.125 1.00 33.40 H new ATOM 0 HD11 LEU A 57 6.854 -2.870 2.185 1.00 23.15 H new ATOM 0 HD12 LEU A 57 7.749 -2.499 0.692 1.00 23.15 H new ATOM 0 HD13 LEU A 57 6.406 -3.666 0.658 1.00 23.15 H new ATOM 0 HD21 LEU A 57 7.161 -5.049 3.324 1.00 52.11 H new ATOM 0 HD22 LEU A 57 6.721 -5.940 1.848 1.00 52.11 H new ATOM 0 HD23 LEU A 57 8.274 -6.265 2.654 1.00 52.11 H new ATOM 914 N THR A 58 9.813 -7.780 -1.376 1.00 13.35 N ATOM 915 CA THR A 58 10.091 -8.293 -2.722 1.00 2.31 C ATOM 916 C THR A 58 9.358 -7.470 -3.793 1.00 4.15 C ATOM 917 O THR A 58 8.328 -6.852 -3.522 1.00 74.12 O ATOM 918 CB THR A 58 9.684 -9.781 -2.866 1.00 65.45 C ATOM 919 OG1 THR A 58 8.270 -9.933 -2.680 1.00 62.10 O ATOM 920 CG2 THR A 58 10.428 -10.652 -1.856 1.00 4.14 C ATOM 0 H THR A 58 9.249 -8.404 -0.799 1.00 13.35 H new ATOM 0 HA THR A 58 11.167 -8.206 -2.870 1.00 2.31 H new ATOM 0 HB THR A 58 9.953 -10.104 -3.872 1.00 65.45 H new ATOM 0 HG1 THR A 58 8.053 -9.840 -1.729 1.00 62.10 H new ATOM 0 HG21 THR A 58 10.124 -11.692 -1.978 1.00 4.14 H new ATOM 0 HG22 THR A 58 11.502 -10.566 -2.023 1.00 4.14 H new ATOM 0 HG23 THR A 58 10.190 -10.321 -0.845 1.00 4.14 H new ATOM 928 N GLU A 59 9.885 -7.489 -5.012 1.00 12.11 N ATOM 929 CA GLU A 59 9.380 -6.662 -6.122 1.00 4.54 C ATOM 930 C GLU A 59 7.844 -6.722 -6.263 1.00 72.41 C ATOM 931 O GLU A 59 7.186 -5.691 -6.436 1.00 45.25 O ATOM 932 CB GLU A 59 10.061 -7.113 -7.419 1.00 53.43 C ATOM 933 CG GLU A 59 11.587 -7.091 -7.327 1.00 40.12 C ATOM 934 CD GLU A 59 12.270 -7.785 -8.492 1.00 62.23 C ATOM 935 OE1 GLU A 59 12.431 -9.025 -8.436 1.00 51.02 O ATOM 936 OE2 GLU A 59 12.673 -7.096 -9.451 1.00 11.14 O ATOM 0 H GLU A 59 10.678 -8.078 -5.268 1.00 12.11 H new ATOM 0 HA GLU A 59 9.622 -5.621 -5.908 1.00 4.54 H new ATOM 0 HB2 GLU A 59 9.731 -8.122 -7.665 1.00 53.43 H new ATOM 0 HB3 GLU A 59 9.742 -6.465 -8.236 1.00 53.43 H new ATOM 0 HG2 GLU A 59 11.926 -6.056 -7.280 1.00 40.12 H new ATOM 0 HG3 GLU A 59 11.895 -7.569 -6.397 1.00 40.12 H new ATOM 943 N SER A 60 7.275 -7.925 -6.171 1.00 65.24 N ATOM 944 CA SER A 60 5.816 -8.107 -6.271 1.00 35.12 C ATOM 945 C SER A 60 5.079 -7.439 -5.102 1.00 4.12 C ATOM 946 O SER A 60 3.978 -6.905 -5.266 1.00 2.40 O ATOM 947 CB SER A 60 5.456 -9.601 -6.324 1.00 35.34 C ATOM 948 OG SER A 60 4.054 -9.791 -6.465 1.00 31.41 O ATOM 0 H SER A 60 7.797 -8.790 -6.028 1.00 65.24 H new ATOM 0 HA SER A 60 5.495 -7.627 -7.196 1.00 35.12 H new ATOM 0 HB2 SER A 60 5.975 -10.073 -7.159 1.00 35.34 H new ATOM 0 HB3 SER A 60 5.802 -10.093 -5.415 1.00 35.34 H new ATOM 0 HG SER A 60 3.855 -10.750 -6.497 1.00 31.41 H new ATOM 954 N GLN A 61 5.702 -7.450 -3.922 1.00 63.01 N ATOM 955 CA GLN A 61 5.111 -6.826 -2.731 1.00 44.51 C ATOM 956 C GLN A 61 4.919 -5.316 -2.927 1.00 1.32 C ATOM 957 O GLN A 61 3.865 -4.773 -2.603 1.00 33.11 O ATOM 958 CB GLN A 61 5.974 -7.096 -1.490 1.00 35.22 C ATOM 959 CG GLN A 61 5.925 -8.542 -1.005 1.00 1.44 C ATOM 960 CD GLN A 61 6.796 -8.781 0.217 1.00 75.14 C ATOM 961 OE1 GLN A 61 7.955 -9.162 0.109 1.00 71.22 O ATOM 962 NE2 GLN A 61 6.245 -8.557 1.388 1.00 53.23 N ATOM 0 H GLN A 61 6.612 -7.882 -3.763 1.00 63.01 H new ATOM 0 HA GLN A 61 4.129 -7.274 -2.578 1.00 44.51 H new ATOM 0 HB2 GLN A 61 7.008 -6.833 -1.714 1.00 35.22 H new ATOM 0 HB3 GLN A 61 5.647 -6.441 -0.683 1.00 35.22 H new ATOM 0 HG2 GLN A 61 4.894 -8.807 -0.769 1.00 1.44 H new ATOM 0 HG3 GLN A 61 6.247 -9.202 -1.810 1.00 1.44 H new ATOM 0 HE21 GLN A 61 5.277 -8.240 1.444 1.00 53.23 H new ATOM 0 HE22 GLN A 61 6.785 -8.700 2.241 1.00 53.23 H new ATOM 971 N LEU A 62 5.937 -4.638 -3.471 1.00 31.23 N ATOM 972 CA LEU A 62 5.826 -3.201 -3.763 1.00 22.02 C ATOM 973 C LEU A 62 4.676 -2.937 -4.749 1.00 1.42 C ATOM 974 O LEU A 62 3.880 -2.017 -4.559 1.00 52.52 O ATOM 975 CB LEU A 62 7.144 -2.627 -4.329 1.00 71.32 C ATOM 976 CG LEU A 62 8.336 -2.563 -3.348 1.00 55.11 C ATOM 977 CD1 LEU A 62 8.949 -3.938 -3.118 1.00 20.13 C ATOM 978 CD2 LEU A 62 9.393 -1.582 -3.850 1.00 32.44 C ATOM 0 H LEU A 62 6.836 -5.053 -3.716 1.00 31.23 H new ATOM 0 HA LEU A 62 5.616 -2.695 -2.821 1.00 22.02 H new ATOM 0 HB2 LEU A 62 7.439 -3.229 -5.188 1.00 71.32 H new ATOM 0 HB3 LEU A 62 6.949 -1.620 -4.698 1.00 71.32 H new ATOM 0 HG LEU A 62 7.955 -2.207 -2.391 1.00 55.11 H new ATOM 0 HD11 LEU A 62 9.784 -3.852 -2.423 1.00 20.13 H new ATOM 0 HD12 LEU A 62 8.196 -4.607 -2.700 1.00 20.13 H new ATOM 0 HD13 LEU A 62 9.306 -4.340 -4.066 1.00 20.13 H new ATOM 0 HD21 LEU A 62 10.224 -1.551 -3.146 1.00 32.44 H new ATOM 0 HD22 LEU A 62 9.756 -1.906 -4.826 1.00 32.44 H new ATOM 0 HD23 LEU A 62 8.954 -0.588 -3.938 1.00 32.44 H new ATOM 990 N ALA A 63 4.594 -3.762 -5.796 1.00 74.43 N ATOM 991 CA ALA A 63 3.512 -3.665 -6.785 1.00 51.35 C ATOM 992 C ALA A 63 2.127 -3.798 -6.129 1.00 61.22 C ATOM 993 O ALA A 63 1.171 -3.127 -6.523 1.00 23.23 O ATOM 994 CB ALA A 63 3.684 -4.732 -7.862 1.00 61.53 C ATOM 0 H ALA A 63 5.265 -4.507 -5.983 1.00 74.43 H new ATOM 0 HA ALA A 63 3.571 -2.677 -7.242 1.00 51.35 H new ATOM 0 HB1 ALA A 63 2.876 -4.649 -8.589 1.00 61.53 H new ATOM 0 HB2 ALA A 63 4.640 -4.590 -8.365 1.00 61.53 H new ATOM 0 HB3 ALA A 63 3.659 -5.720 -7.403 1.00 61.53 H new ATOM 1000 N LEU A 64 2.031 -4.680 -5.136 1.00 34.52 N ATOM 1001 CA LEU A 64 0.792 -4.860 -4.377 1.00 4.31 C ATOM 1002 C LEU A 64 0.458 -3.601 -3.563 1.00 71.30 C ATOM 1003 O LEU A 64 -0.641 -3.057 -3.665 1.00 42.55 O ATOM 1004 CB LEU A 64 0.918 -6.065 -3.436 1.00 52.42 C ATOM 1005 CG LEU A 64 -0.296 -6.311 -2.527 1.00 31.43 C ATOM 1006 CD1 LEU A 64 -1.540 -6.630 -3.358 1.00 64.02 C ATOM 1007 CD2 LEU A 64 -0.003 -7.427 -1.528 1.00 4.20 C ATOM 0 H LEU A 64 2.797 -5.283 -4.837 1.00 34.52 H new ATOM 0 HA LEU A 64 -0.016 -5.038 -5.087 1.00 4.31 H new ATOM 0 HB2 LEU A 64 1.090 -6.959 -4.036 1.00 52.42 H new ATOM 0 HB3 LEU A 64 1.799 -5.927 -2.810 1.00 52.42 H new ATOM 0 HG LEU A 64 -0.494 -5.398 -1.965 1.00 31.43 H new ATOM 0 HD11 LEU A 64 -2.387 -6.801 -2.694 1.00 64.02 H new ATOM 0 HD12 LEU A 64 -1.760 -5.792 -4.019 1.00 64.02 H new ATOM 0 HD13 LEU A 64 -1.360 -7.525 -3.954 1.00 64.02 H new ATOM 0 HD21 LEU A 64 -0.875 -7.586 -0.894 1.00 4.20 H new ATOM 0 HD22 LEU A 64 0.226 -8.347 -2.067 1.00 4.20 H new ATOM 0 HD23 LEU A 64 0.850 -7.147 -0.909 1.00 4.20 H new ATOM 1019 N VAL A 65 1.422 -3.144 -2.763 1.00 4.14 N ATOM 1020 CA VAL A 65 1.243 -1.959 -1.912 1.00 61.42 C ATOM 1021 C VAL A 65 0.762 -0.736 -2.719 1.00 3.41 C ATOM 1022 O VAL A 65 -0.073 0.044 -2.252 1.00 31.01 O ATOM 1023 CB VAL A 65 2.561 -1.608 -1.169 1.00 62.14 C ATOM 1024 CG1 VAL A 65 2.394 -0.371 -0.293 1.00 1.13 C ATOM 1025 CG2 VAL A 65 3.036 -2.793 -0.332 1.00 24.55 C ATOM 0 H VAL A 65 2.342 -3.577 -2.684 1.00 4.14 H new ATOM 0 HA VAL A 65 0.473 -2.208 -1.182 1.00 61.42 H new ATOM 0 HB VAL A 65 3.317 -1.385 -1.922 1.00 62.14 H new ATOM 0 HG11 VAL A 65 3.335 -0.153 0.212 1.00 1.13 H new ATOM 0 HG12 VAL A 65 2.111 0.479 -0.914 1.00 1.13 H new ATOM 0 HG13 VAL A 65 1.617 -0.553 0.449 1.00 1.13 H new ATOM 0 HG21 VAL A 65 3.961 -2.529 0.181 1.00 24.55 H new ATOM 0 HG22 VAL A 65 2.273 -3.048 0.403 1.00 24.55 H new ATOM 0 HG23 VAL A 65 3.214 -3.650 -0.982 1.00 24.55 H new ATOM 1035 N ARG A 66 1.277 -0.587 -3.937 1.00 1.13 N ATOM 1036 CA ARG A 66 0.863 0.508 -4.824 1.00 75.13 C ATOM 1037 C ARG A 66 -0.625 0.391 -5.203 1.00 64.42 C ATOM 1038 O ARG A 66 -1.345 1.393 -5.262 1.00 4.43 O ATOM 1039 CB ARG A 66 1.739 0.532 -6.086 1.00 32.31 C ATOM 1040 CG ARG A 66 3.229 0.701 -5.790 1.00 23.24 C ATOM 1041 CD ARG A 66 4.079 0.729 -7.057 1.00 22.11 C ATOM 1042 NE ARG A 66 3.797 1.905 -7.881 1.00 52.21 N ATOM 1043 CZ ARG A 66 4.701 2.767 -8.263 1.00 0.24 C ATOM 1044 NH1 ARG A 66 5.948 2.594 -7.956 1.00 51.11 N ATOM 1045 NH2 ARG A 66 4.353 3.788 -8.978 1.00 41.15 N ATOM 0 H ARG A 66 1.981 -1.208 -4.336 1.00 1.13 H new ATOM 0 HA ARG A 66 0.996 1.446 -4.285 1.00 75.13 H new ATOM 0 HB2 ARG A 66 1.589 -0.395 -6.640 1.00 32.31 H new ATOM 0 HB3 ARG A 66 1.410 1.346 -6.732 1.00 32.31 H new ATOM 0 HG2 ARG A 66 3.383 1.625 -5.233 1.00 23.24 H new ATOM 0 HG3 ARG A 66 3.564 -0.116 -5.150 1.00 23.24 H new ATOM 0 HD2 ARG A 66 5.135 0.721 -6.785 1.00 22.11 H new ATOM 0 HD3 ARG A 66 3.893 -0.174 -7.638 1.00 22.11 H new ATOM 0 HE ARG A 66 2.833 2.062 -8.176 1.00 52.21 H new ATOM 0 HH11 ARG A 66 6.231 1.779 -7.412 1.00 51.11 H new ATOM 0 HH12 ARG A 66 6.647 3.273 -8.259 1.00 51.11 H new ATOM 0 HH21 ARG A 66 3.376 3.917 -9.241 1.00 41.15 H new ATOM 0 HH22 ARG A 66 5.056 4.464 -9.278 1.00 41.15 H new ATOM 1059 N ASP A 67 -1.081 -0.837 -5.452 1.00 54.41 N ATOM 1060 CA ASP A 67 -2.496 -1.099 -5.746 1.00 53.43 C ATOM 1061 C ASP A 67 -3.365 -0.838 -4.505 1.00 74.31 C ATOM 1062 O ASP A 67 -4.414 -0.208 -4.597 1.00 11.05 O ATOM 1063 CB ASP A 67 -2.673 -2.543 -6.243 1.00 44.11 C ATOM 1064 CG ASP A 67 -4.123 -2.903 -6.551 1.00 5.02 C ATOM 1065 OD1 ASP A 67 -4.757 -2.214 -7.375 1.00 41.14 O ATOM 1066 OD2 ASP A 67 -4.635 -3.896 -5.985 1.00 3.11 O ATOM 0 H ASP A 67 -0.492 -1.670 -5.457 1.00 54.41 H new ATOM 0 HA ASP A 67 -2.822 -0.419 -6.533 1.00 53.43 H new ATOM 0 HB2 ASP A 67 -2.072 -2.687 -7.141 1.00 44.11 H new ATOM 0 HB3 ASP A 67 -2.288 -3.229 -5.488 1.00 44.11 H new ATOM 1071 N ILE A 68 -2.907 -1.304 -3.343 1.00 63.23 N ATOM 1072 CA ILE A 68 -3.620 -1.074 -2.079 1.00 15.23 C ATOM 1073 C ILE A 68 -3.876 0.426 -1.840 1.00 24.43 C ATOM 1074 O ILE A 68 -4.967 0.827 -1.428 1.00 2.21 O ATOM 1075 CB ILE A 68 -2.835 -1.662 -0.876 1.00 33.34 C ATOM 1076 CG1 ILE A 68 -2.650 -3.181 -1.048 1.00 35.40 C ATOM 1077 CG2 ILE A 68 -3.546 -1.353 0.443 1.00 22.13 C ATOM 1078 CD1 ILE A 68 -1.870 -3.837 0.076 1.00 25.31 C ATOM 0 H ILE A 68 -2.046 -1.843 -3.247 1.00 63.23 H new ATOM 0 HA ILE A 68 -4.580 -1.584 -2.160 1.00 15.23 H new ATOM 0 HB ILE A 68 -1.852 -1.193 -0.848 1.00 33.34 H new ATOM 0 HG12 ILE A 68 -3.631 -3.651 -1.119 1.00 35.40 H new ATOM 0 HG13 ILE A 68 -2.137 -3.370 -1.991 1.00 35.40 H new ATOM 0 HG21 ILE A 68 -2.977 -1.775 1.271 1.00 22.13 H new ATOM 0 HG22 ILE A 68 -3.624 -0.273 0.570 1.00 22.13 H new ATOM 0 HG23 ILE A 68 -4.544 -1.790 0.429 1.00 22.13 H new ATOM 0 HD11 ILE A 68 -1.782 -4.906 -0.118 1.00 25.31 H new ATOM 0 HD12 ILE A 68 -0.875 -3.396 0.134 1.00 25.31 H new ATOM 0 HD13 ILE A 68 -2.392 -3.681 1.020 1.00 25.31 H new ATOM 1090 N ARG A 69 -2.866 1.253 -2.118 1.00 63.14 N ATOM 1091 CA ARG A 69 -3.000 2.706 -1.972 1.00 3.22 C ATOM 1092 C ARG A 69 -4.083 3.271 -2.910 1.00 63.42 C ATOM 1093 O ARG A 69 -4.969 4.012 -2.477 1.00 41.41 O ATOM 1094 CB ARG A 69 -1.664 3.413 -2.245 1.00 21.22 C ATOM 1095 CG ARG A 69 -1.702 4.916 -1.960 1.00 72.00 C ATOM 1096 CD ARG A 69 -0.390 5.608 -2.316 1.00 21.45 C ATOM 1097 NE ARG A 69 -0.113 5.569 -3.752 1.00 51.32 N ATOM 1098 CZ ARG A 69 0.898 6.172 -4.321 1.00 52.04 C ATOM 1099 NH1 ARG A 69 1.729 6.879 -3.621 1.00 13.13 N ATOM 1100 NH2 ARG A 69 1.066 6.070 -5.601 1.00 63.12 N ATOM 0 H ARG A 69 -1.950 0.945 -2.444 1.00 63.14 H new ATOM 0 HA ARG A 69 -3.300 2.896 -0.942 1.00 3.22 H new ATOM 0 HB2 ARG A 69 -0.887 2.954 -1.633 1.00 21.22 H new ATOM 0 HB3 ARG A 69 -1.384 3.255 -3.287 1.00 21.22 H new ATOM 0 HG2 ARG A 69 -2.515 5.370 -2.527 1.00 72.00 H new ATOM 0 HG3 ARG A 69 -1.920 5.078 -0.904 1.00 72.00 H new ATOM 0 HD2 ARG A 69 -0.427 6.645 -1.984 1.00 21.45 H new ATOM 0 HD3 ARG A 69 0.428 5.130 -1.777 1.00 21.45 H new ATOM 0 HE ARG A 69 -0.749 5.038 -4.347 1.00 51.32 H new ATOM 0 HH11 ARG A 69 1.598 6.970 -2.614 1.00 13.13 H new ATOM 0 HH12 ARG A 69 2.514 7.344 -4.078 1.00 13.13 H new ATOM 0 HH21 ARG A 69 0.412 5.522 -6.159 1.00 63.12 H new ATOM 0 HH22 ARG A 69 1.853 6.538 -6.051 1.00 63.12 H new ATOM 1114 N ARG A 70 -4.014 2.914 -4.195 1.00 51.35 N ATOM 1115 CA ARG A 70 -4.972 3.422 -5.185 1.00 71.20 C ATOM 1116 C ARG A 70 -6.379 2.837 -4.966 1.00 63.43 C ATOM 1117 O ARG A 70 -7.379 3.471 -5.304 1.00 52.31 O ATOM 1118 CB ARG A 70 -4.486 3.132 -6.619 1.00 40.31 C ATOM 1119 CG ARG A 70 -4.439 1.655 -6.983 1.00 60.11 C ATOM 1120 CD ARG A 70 -3.960 1.429 -8.414 1.00 21.20 C ATOM 1121 NE ARG A 70 -4.002 0.018 -8.774 1.00 41.31 N ATOM 1122 CZ ARG A 70 -3.277 -0.540 -9.703 1.00 3.42 C ATOM 1123 NH1 ARG A 70 -2.456 0.160 -10.419 1.00 54.25 N ATOM 1124 NH2 ARG A 70 -3.393 -1.808 -9.912 1.00 61.11 N ATOM 0 H ARG A 70 -3.311 2.280 -4.574 1.00 51.35 H new ATOM 0 HA ARG A 70 -5.035 4.502 -5.051 1.00 71.20 H new ATOM 0 HB2 ARG A 70 -5.142 3.646 -7.322 1.00 40.31 H new ATOM 0 HB3 ARG A 70 -3.490 3.556 -6.744 1.00 40.31 H new ATOM 0 HG2 ARG A 70 -3.776 1.133 -6.293 1.00 60.11 H new ATOM 0 HG3 ARG A 70 -5.431 1.221 -6.861 1.00 60.11 H new ATOM 0 HD2 ARG A 70 -4.584 2.000 -9.102 1.00 21.20 H new ATOM 0 HD3 ARG A 70 -2.942 1.803 -8.521 1.00 21.20 H new ATOM 0 HE ARG A 70 -4.649 -0.580 -8.259 1.00 41.31 H new ATOM 0 HH11 ARG A 70 -2.369 1.164 -10.260 1.00 54.25 H new ATOM 0 HH12 ARG A 70 -1.896 -0.292 -11.142 1.00 54.25 H new ATOM 0 HH21 ARG A 70 -4.045 -2.359 -9.354 1.00 61.11 H new ATOM 0 HH22 ARG A 70 -2.833 -2.259 -10.635 1.00 61.11 H new ATOM 1138 N ARG A 71 -6.451 1.629 -4.404 1.00 30.20 N ATOM 1139 CA ARG A 71 -7.736 1.004 -4.062 1.00 61.41 C ATOM 1140 C ARG A 71 -8.418 1.742 -2.903 1.00 22.31 C ATOM 1141 O ARG A 71 -9.591 2.106 -2.990 1.00 71.02 O ATOM 1142 CB ARG A 71 -7.542 -0.481 -3.706 1.00 44.20 C ATOM 1143 CG ARG A 71 -7.213 -1.375 -4.902 1.00 42.33 C ATOM 1144 CD ARG A 71 -8.359 -1.409 -5.909 1.00 53.23 C ATOM 1145 NE ARG A 71 -8.068 -2.262 -7.063 1.00 52.35 N ATOM 1146 CZ ARG A 71 -8.989 -2.787 -7.833 1.00 44.33 C ATOM 1147 NH1 ARG A 71 -10.247 -2.615 -7.569 1.00 31.45 N ATOM 1148 NH2 ARG A 71 -8.646 -3.496 -8.858 1.00 1.13 N ATOM 0 H ARG A 71 -5.635 1.061 -4.175 1.00 30.20 H new ATOM 0 HA ARG A 71 -8.382 1.072 -4.938 1.00 61.41 H new ATOM 0 HB2 ARG A 71 -6.740 -0.565 -2.972 1.00 44.20 H new ATOM 0 HB3 ARG A 71 -8.450 -0.850 -3.230 1.00 44.20 H new ATOM 0 HG2 ARG A 71 -6.309 -1.012 -5.391 1.00 42.33 H new ATOM 0 HG3 ARG A 71 -7.003 -2.386 -4.554 1.00 42.33 H new ATOM 0 HD2 ARG A 71 -9.262 -1.768 -5.415 1.00 53.23 H new ATOM 0 HD3 ARG A 71 -8.566 -0.396 -6.253 1.00 53.23 H new ATOM 0 HE ARG A 71 -7.091 -2.459 -7.280 1.00 52.35 H new ATOM 0 HH11 ARG A 71 -10.527 -2.067 -6.756 1.00 31.45 H new ATOM 0 HH12 ARG A 71 -10.956 -3.028 -8.175 1.00 31.45 H new ATOM 0 HH21 ARG A 71 -7.659 -3.646 -9.067 1.00 1.13 H new ATOM 0 HH22 ARG A 71 -9.362 -3.905 -9.458 1.00 1.13 H new ATOM 1162 N GLY A 72 -7.677 1.962 -1.821 1.00 43.01 N ATOM 1163 CA GLY A 72 -8.196 2.737 -0.702 1.00 2.40 C ATOM 1164 C GLY A 72 -8.556 4.167 -1.093 1.00 4.45 C ATOM 1165 O GLY A 72 -9.626 4.671 -0.740 1.00 22.15 O ATOM 0 H GLY A 72 -6.725 1.618 -1.697 1.00 43.01 H new ATOM 0 HA2 GLY A 72 -9.080 2.241 -0.301 1.00 2.40 H new ATOM 0 HA3 GLY A 72 -7.453 2.759 0.095 1.00 2.40 H new ATOM 1169 N LYS A 73 -7.657 4.821 -1.834 1.00 71.31 N ATOM 1170 CA LYS A 73 -7.881 6.190 -2.313 1.00 21.45 C ATOM 1171 C LYS A 73 -9.052 6.262 -3.306 1.00 34.12 C ATOM 1172 O LYS A 73 -9.711 7.294 -3.417 1.00 22.35 O ATOM 1173 CB LYS A 73 -6.598 6.751 -2.957 1.00 42.42 C ATOM 1174 CG LYS A 73 -6.782 8.115 -3.628 1.00 65.42 C ATOM 1175 CD LYS A 73 -5.458 8.712 -4.100 1.00 14.00 C ATOM 1176 CE LYS A 73 -4.575 9.142 -2.933 1.00 54.41 C ATOM 1177 NZ LYS A 73 -5.237 10.171 -2.087 1.00 12.21 N ATOM 0 H LYS A 73 -6.762 4.422 -2.117 1.00 71.31 H new ATOM 0 HA LYS A 73 -8.142 6.801 -1.449 1.00 21.45 H new ATOM 0 HB2 LYS A 73 -5.827 6.835 -2.191 1.00 42.42 H new ATOM 0 HB3 LYS A 73 -6.235 6.039 -3.698 1.00 42.42 H new ATOM 0 HG2 LYS A 73 -7.455 8.011 -4.479 1.00 65.42 H new ATOM 0 HG3 LYS A 73 -7.258 8.801 -2.927 1.00 65.42 H new ATOM 0 HD2 LYS A 73 -4.926 7.979 -4.706 1.00 14.00 H new ATOM 0 HD3 LYS A 73 -5.656 9.572 -4.740 1.00 14.00 H new ATOM 0 HE2 LYS A 73 -4.331 8.272 -2.323 1.00 54.41 H new ATOM 0 HE3 LYS A 73 -3.634 9.537 -3.316 1.00 54.41 H new ATOM 0 HZ1 LYS A 73 -4.528 10.631 -1.481 1.00 12.21 H new ATOM 0 HZ2 LYS A 73 -5.687 10.884 -2.696 1.00 12.21 H new ATOM 0 HZ3 LYS A 73 -5.960 9.718 -1.492 1.00 12.21 H new