USER MOD reduce.3.24.130724 H: found=0, std=0, add=315, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 309 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 45 LYS NZ :NH3+ 141:sc= 0.157 (180deg=0) USER MOD Set 1.2: A 68 TYR OH : rot 172:sc= 1.14 USER MOD Set 2.1: A 61 CYS SG : rot -119:sc= -0.884 USER MOD Set 2.2: A 64 CYS SG : rot -154:sc= 0.993 USER MOD Set 2.3: A 69 HIS :FLIP no HE2:sc= 0.977 F(o=-5!,f=-0.033) USER MOD Set 2.4: A 73 CYS SG : rot -74:sc= -1.12 USER MOD Set 3.1: A 28 CYS SG : rot 136:sc= -0.867 USER MOD Set 3.2: A 33 CYS SG : rot 168:sc= 0.385 USER MOD Set 3.3: A 48 CYS SG : rot 22:sc= 1.32 USER MOD Set 3.4: A 56 CYS SG : rot 135:sc= 0.625 USER MOD Single : A 23 MET CE :methyl -154:sc= -4.66! (180deg=-7.28!) USER MOD Single : A 43 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.34) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 341 N MET A 23 -33.180 50.299 -29.487 1.00 52.13 N ATOM 342 CA MET A 23 -32.876 50.922 -28.204 1.00 72.14 C ATOM 343 C MET A 23 -31.925 52.100 -28.383 1.00 45.43 C ATOM 344 O MET A 23 -31.969 53.067 -27.625 1.00 2.21 O ATOM 345 CB MET A 23 -32.263 49.897 -27.248 1.00 71.24 C ATOM 346 CG MET A 23 -31.286 48.946 -27.921 1.00 41.43 C ATOM 347 SD MET A 23 -29.727 49.743 -28.349 1.00 44.45 S ATOM 348 CE MET A 23 -28.917 49.786 -26.753 1.00 71.42 C ATOM 0 HA MET A 23 -33.809 51.293 -27.779 1.00 72.14 H new ATOM 0 HB2 MET A 23 -31.749 50.424 -26.444 1.00 71.24 H new ATOM 0 HB3 MET A 23 -33.063 49.317 -26.788 1.00 71.24 H new ATOM 0 HG2 MET A 23 -31.089 48.104 -27.258 1.00 41.43 H new ATOM 0 HG3 MET A 23 -31.743 48.541 -28.824 1.00 41.43 H new ATOM 0 HE1 MET A 23 -28.203 50.609 -26.729 1.00 71.42 H new ATOM 0 HE2 MET A 23 -29.662 49.929 -25.971 1.00 71.42 H new ATOM 0 HE3 MET A 23 -28.392 48.846 -26.586 1.00 71.42 H new ATOM 358 N GLY A 24 -31.063 52.010 -29.392 1.00 52.12 N ATOM 359 CA GLY A 24 -30.112 53.075 -29.652 1.00 12.01 C ATOM 360 C GLY A 24 -30.725 54.222 -30.432 1.00 42.32 C ATOM 361 O GLY A 24 -31.922 54.219 -30.715 1.00 12.22 O ATOM 0 H GLY A 24 -31.007 51.219 -30.033 1.00 52.12 H new ATOM 0 HA2 GLY A 24 -29.723 53.450 -28.705 1.00 12.01 H new ATOM 0 HA3 GLY A 24 -29.265 52.674 -30.208 1.00 12.01 H new ATOM 365 N GLY A 25 -29.901 55.207 -30.780 1.00 52.31 N ATOM 366 CA GLY A 25 -30.388 56.352 -31.526 1.00 3.44 C ATOM 367 C GLY A 25 -31.813 56.717 -31.163 1.00 11.30 C ATOM 368 O GLY A 25 -32.672 56.841 -32.037 1.00 42.53 O ATOM 0 H GLY A 25 -28.906 55.232 -30.558 1.00 52.31 H new ATOM 0 HA2 GLY A 25 -29.738 57.207 -31.338 1.00 3.44 H new ATOM 0 HA3 GLY A 25 -30.332 56.137 -32.593 1.00 3.44 H new ATOM 372 N VAL A 26 -32.068 56.888 -29.869 1.00 43.41 N ATOM 373 CA VAL A 26 -33.400 57.241 -29.393 1.00 31.31 C ATOM 374 C VAL A 26 -33.532 58.747 -29.194 1.00 22.00 C ATOM 375 O VAL A 26 -32.540 59.477 -29.222 1.00 5.11 O ATOM 376 CB VAL A 26 -33.730 56.528 -28.069 1.00 22.53 C ATOM 377 CG1 VAL A 26 -33.855 55.027 -28.285 1.00 4.31 C ATOM 378 CG2 VAL A 26 -32.669 56.836 -27.020 1.00 43.15 C ATOM 0 H VAL A 26 -31.370 56.788 -29.132 1.00 43.41 H new ATOM 0 HA VAL A 26 -34.106 56.916 -30.158 1.00 31.31 H new ATOM 0 HB VAL A 26 -34.688 56.899 -27.707 1.00 22.53 H new ATOM 0 HG11 VAL A 26 -34.088 54.541 -27.338 1.00 4.31 H new ATOM 0 HG12 VAL A 26 -34.652 54.828 -29.001 1.00 4.31 H new ATOM 0 HG13 VAL A 26 -32.914 54.635 -28.671 1.00 4.31 H new ATOM 0 HG21 VAL A 26 -32.917 56.324 -26.090 1.00 43.15 H new ATOM 0 HG22 VAL A 26 -31.697 56.493 -27.374 1.00 43.15 H new ATOM 0 HG23 VAL A 26 -32.633 57.911 -26.844 1.00 43.15 H new ATOM 388 N LEU A 27 -34.762 59.207 -28.991 1.00 32.31 N ATOM 389 CA LEU A 27 -35.023 60.626 -28.786 1.00 14.52 C ATOM 390 C LEU A 27 -36.132 60.832 -27.757 1.00 54.02 C ATOM 391 O LEU A 27 -36.935 59.925 -27.547 1.00 65.13 O ATOM 392 CB LEU A 27 -35.409 61.291 -30.108 1.00 62.22 C ATOM 393 CG LEU A 27 -36.592 60.670 -30.851 1.00 13.22 C ATOM 394 CD1 LEU A 27 -37.869 61.446 -30.565 1.00 2.13 C ATOM 395 CD2 LEU A 27 -36.319 60.624 -32.347 1.00 42.22 C ATOM 0 H LEU A 27 -35.594 58.617 -28.964 1.00 32.31 H new ATOM 0 HA LEU A 27 -34.110 61.087 -28.408 1.00 14.52 H new ATOM 0 HB2 LEU A 27 -35.638 62.338 -29.911 1.00 62.22 H new ATOM 0 HB3 LEU A 27 -34.541 61.273 -30.768 1.00 62.22 H new ATOM 0 HG LEU A 27 -36.723 59.648 -30.494 1.00 13.22 H new ATOM 0 HD11 LEU A 27 -38.700 60.989 -31.102 1.00 2.13 H new ATOM 0 HD12 LEU A 27 -38.074 61.427 -29.495 1.00 2.13 H new ATOM 0 HD13 LEU A 27 -37.748 62.479 -30.893 1.00 2.13 H new ATOM 0 HD21 LEU A 27 -37.172 60.179 -32.859 1.00 42.22 H new ATOM 0 HD22 LEU A 27 -36.160 61.636 -32.719 1.00 42.22 H new ATOM 0 HD23 LEU A 27 -35.429 60.024 -32.536 1.00 42.22 H new ATOM 407 N CYS A 28 -36.153 62.008 -27.147 1.00 31.42 N ATOM 408 CA CYS A 28 -37.164 62.317 -26.152 1.00 73.31 C ATOM 409 C CYS A 28 -38.531 62.323 -26.841 1.00 12.52 C ATOM 410 O CYS A 28 -38.731 62.883 -27.919 1.00 44.11 O ATOM 411 CB CYS A 28 -36.876 63.642 -25.444 1.00 3.23 C ATOM 412 SG CYS A 28 -37.096 63.448 -23.637 1.00 50.30 S ATOM 0 H CYS A 28 -35.485 62.758 -27.323 1.00 31.42 H new ATOM 0 HA CYS A 28 -37.154 61.555 -25.372 1.00 73.31 H new ATOM 0 HB2 CYS A 28 -35.858 63.966 -25.662 1.00 3.23 H new ATOM 0 HB3 CYS A 28 -37.545 64.417 -25.819 1.00 3.23 H new ATOM 0 HG CYS A 28 -36.110 64.025 -23.015 1.00 50.30 H new ATOM 417 N PRO A 29 -39.500 61.672 -26.183 1.00 73.43 N ATOM 418 CA PRO A 29 -40.873 61.573 -26.690 1.00 32.32 C ATOM 419 C PRO A 29 -41.605 62.909 -26.644 1.00 4.53 C ATOM 420 O PRO A 29 -42.692 63.052 -27.204 1.00 54.04 O ATOM 421 CB PRO A 29 -41.531 60.570 -25.739 1.00 35.23 C ATOM 422 CG PRO A 29 -40.745 60.673 -24.478 1.00 31.53 C ATOM 423 CD PRO A 29 -39.332 60.981 -24.892 1.00 41.23 C ATOM 0 HA PRO A 29 -40.900 61.270 -27.737 1.00 32.32 H new ATOM 0 HB2 PRO A 29 -42.581 60.812 -25.572 1.00 35.23 H new ATOM 0 HB3 PRO A 29 -41.498 59.559 -26.145 1.00 35.23 H new ATOM 0 HG2 PRO A 29 -41.142 61.458 -23.834 1.00 31.53 H new ATOM 0 HG3 PRO A 29 -40.791 59.742 -23.913 1.00 31.53 H new ATOM 0 HD2 PRO A 29 -38.827 61.612 -24.161 1.00 41.23 H new ATOM 0 HD3 PRO A 29 -38.736 60.074 -24.996 1.00 41.23 H new ATOM 431 N ARG A 30 -41.002 63.887 -25.976 1.00 13.03 N ATOM 432 CA ARG A 30 -41.598 65.213 -25.856 1.00 61.54 C ATOM 433 C ARG A 30 -41.707 65.883 -27.222 1.00 20.23 C ATOM 434 O ARG A 30 -40.864 65.699 -28.102 1.00 14.03 O ATOM 435 CB ARG A 30 -40.770 66.085 -24.912 1.00 25.23 C ATOM 436 CG ARG A 30 -40.690 65.543 -23.495 1.00 73.03 C ATOM 437 CD ARG A 30 -41.974 65.807 -22.725 1.00 53.33 C ATOM 438 NE ARG A 30 -41.850 66.954 -21.830 1.00 13.42 N ATOM 439 CZ ARG A 30 -42.732 67.246 -20.881 1.00 35.35 C ATOM 440 NH1 ARG A 30 -43.798 66.476 -20.702 1.00 44.44 N ATOM 441 NH2 ARG A 30 -42.550 68.307 -20.105 1.00 13.52 N ATOM 0 H ARG A 30 -40.101 63.786 -25.509 1.00 13.03 H new ATOM 0 HA ARG A 30 -42.601 65.098 -25.445 1.00 61.54 H new ATOM 0 HB2 ARG A 30 -39.761 66.182 -25.312 1.00 25.23 H new ATOM 0 HB3 ARG A 30 -41.200 67.086 -24.885 1.00 25.23 H new ATOM 0 HG2 ARG A 30 -40.496 64.471 -23.525 1.00 73.03 H new ATOM 0 HG3 ARG A 30 -39.851 66.004 -22.975 1.00 73.03 H new ATOM 0 HD2 ARG A 30 -42.789 65.982 -23.428 1.00 53.33 H new ATOM 0 HD3 ARG A 30 -42.238 64.922 -22.146 1.00 53.33 H new ATOM 0 HE ARG A 30 -41.041 67.565 -21.940 1.00 13.42 H new ATOM 0 HH11 ARG A 30 -43.941 65.658 -21.294 1.00 44.44 H new ATOM 0 HH12 ARG A 30 -44.474 66.702 -19.972 1.00 44.44 H new ATOM 0 HH21 ARG A 30 -41.731 68.901 -20.237 1.00 13.52 H new ATOM 0 HH22 ARG A 30 -43.229 68.529 -19.377 1.00 13.52 H new ATOM 455 N PRO A 31 -42.770 66.681 -27.407 1.00 70.30 N ATOM 456 CA PRO A 31 -43.013 67.395 -28.663 1.00 53.22 C ATOM 457 C PRO A 31 -42.008 68.517 -28.897 1.00 55.11 C ATOM 458 O PRO A 31 -41.425 68.628 -29.976 1.00 14.22 O ATOM 459 CB PRO A 31 -44.422 67.968 -28.478 1.00 0.43 C ATOM 460 CG PRO A 31 -44.590 68.087 -27.002 1.00 31.10 C ATOM 461 CD PRO A 31 -43.813 66.947 -26.404 1.00 73.24 C ATOM 0 HA PRO A 31 -42.914 66.741 -29.529 1.00 53.22 H new ATOM 0 HB2 PRO A 31 -44.523 68.937 -28.968 1.00 0.43 H new ATOM 0 HB3 PRO A 31 -45.177 67.311 -28.911 1.00 0.43 H new ATOM 0 HG2 PRO A 31 -44.216 69.046 -26.643 1.00 31.10 H new ATOM 0 HG3 PRO A 31 -45.642 68.031 -26.723 1.00 31.10 H new ATOM 0 HD2 PRO A 31 -43.383 67.216 -25.439 1.00 73.24 H new ATOM 0 HD3 PRO A 31 -44.444 66.074 -26.239 1.00 73.24 H new ATOM 469 N GLY A 32 -41.808 69.349 -27.878 1.00 43.25 N ATOM 470 CA GLY A 32 -40.872 70.451 -27.994 1.00 52.11 C ATOM 471 C GLY A 32 -39.440 70.024 -27.743 1.00 34.03 C ATOM 472 O GLY A 32 -38.551 70.446 -28.480 1.00 32.43 O ATOM 0 H GLY A 32 -42.278 69.279 -26.975 1.00 43.25 H new ATOM 0 HA2 GLY A 32 -40.949 70.886 -28.991 1.00 52.11 H new ATOM 0 HA3 GLY A 32 -41.145 71.232 -27.284 1.00 52.11 H new ATOM 476 N CYS A 33 -39.240 69.208 -26.718 1.00 55.43 N ATOM 477 CA CYS A 33 -37.907 68.738 -26.384 1.00 23.21 C ATOM 478 C CYS A 33 -37.514 67.655 -27.390 1.00 55.43 C ATOM 479 O CYS A 33 -38.068 66.557 -27.418 1.00 23.51 O ATOM 480 CB CYS A 33 -37.831 68.231 -24.942 1.00 4.15 C ATOM 481 SG CYS A 33 -36.468 67.020 -24.776 1.00 32.04 S ATOM 0 H CYS A 33 -39.980 68.860 -26.108 1.00 55.43 H new ATOM 0 HA CYS A 33 -37.200 69.566 -26.447 1.00 23.21 H new ATOM 0 HB2 CYS A 33 -37.670 69.067 -24.262 1.00 4.15 H new ATOM 0 HB3 CYS A 33 -38.777 67.768 -24.660 1.00 4.15 H new ATOM 0 HG CYS A 33 -36.240 66.794 -23.516 1.00 32.04 H new ATOM 486 N GLY A 34 -36.536 67.992 -28.227 1.00 14.35 N ATOM 487 CA GLY A 34 -36.065 67.059 -29.232 1.00 41.14 C ATOM 488 C GLY A 34 -34.668 66.549 -28.941 1.00 21.20 C ATOM 489 O GLY A 34 -33.812 66.527 -29.823 1.00 4.02 O ATOM 0 H GLY A 34 -36.062 68.895 -28.226 1.00 14.35 H new ATOM 0 HA2 GLY A 34 -36.752 66.215 -29.290 1.00 41.14 H new ATOM 0 HA3 GLY A 34 -36.075 67.545 -30.208 1.00 41.14 H new ATOM 493 N ALA A 35 -34.436 66.138 -27.699 1.00 35.15 N ATOM 494 CA ALA A 35 -33.134 65.626 -27.292 1.00 53.13 C ATOM 495 C ALA A 35 -32.451 64.891 -28.441 1.00 31.43 C ATOM 496 O ALA A 35 -31.397 65.307 -28.918 1.00 34.14 O ATOM 497 CB ALA A 35 -33.279 64.708 -26.088 1.00 73.44 C ATOM 0 H ALA A 35 -35.135 66.150 -26.956 1.00 35.15 H new ATOM 0 HA ALA A 35 -32.509 66.474 -27.014 1.00 53.13 H new ATOM 0 HB1 ALA A 35 -32.298 64.333 -25.796 1.00 73.44 H new ATOM 0 HB2 ALA A 35 -33.718 65.263 -25.258 1.00 73.44 H new ATOM 0 HB3 ALA A 35 -33.926 63.869 -26.346 1.00 73.44 H new ATOM 503 N GLY A 36 -33.062 63.794 -28.882 1.00 43.22 N ATOM 504 CA GLY A 36 -32.497 63.019 -29.971 1.00 72.51 C ATOM 505 C GLY A 36 -30.986 62.937 -29.902 1.00 4.33 C ATOM 506 O GLY A 36 -30.292 63.340 -30.837 1.00 25.14 O ATOM 0 H GLY A 36 -33.937 63.429 -28.505 1.00 43.22 H new ATOM 0 HA2 GLY A 36 -32.914 62.012 -29.950 1.00 72.51 H new ATOM 0 HA3 GLY A 36 -32.790 63.466 -30.921 1.00 72.51 H new ATOM 510 N LEU A 37 -30.472 62.417 -28.793 1.00 73.20 N ATOM 511 CA LEU A 37 -29.032 62.286 -28.604 1.00 30.30 C ATOM 512 C LEU A 37 -28.650 60.837 -28.314 1.00 14.03 C ATOM 513 O LEU A 37 -29.406 60.100 -27.678 1.00 43.33 O ATOM 514 CB LEU A 37 -28.563 63.188 -27.461 1.00 50.22 C ATOM 515 CG LEU A 37 -29.495 63.281 -26.253 1.00 72.53 C ATOM 516 CD1 LEU A 37 -29.362 62.044 -25.379 1.00 62.24 C ATOM 517 CD2 LEU A 37 -29.201 64.538 -25.449 1.00 73.21 C ATOM 0 H LEU A 37 -31.032 62.079 -28.010 1.00 73.20 H new ATOM 0 HA LEU A 37 -28.540 62.594 -29.527 1.00 30.30 H new ATOM 0 HB2 LEU A 37 -27.592 62.831 -27.118 1.00 50.22 H new ATOM 0 HB3 LEU A 37 -28.412 64.193 -27.856 1.00 50.22 H new ATOM 0 HG LEU A 37 -30.522 63.336 -26.614 1.00 72.53 H new ATOM 0 HD11 LEU A 37 -30.033 62.129 -24.524 1.00 62.24 H new ATOM 0 HD12 LEU A 37 -29.623 61.159 -25.959 1.00 62.24 H new ATOM 0 HD13 LEU A 37 -28.334 61.957 -25.026 1.00 62.24 H new ATOM 0 HD21 LEU A 37 -29.874 64.588 -24.593 1.00 73.21 H new ATOM 0 HD22 LEU A 37 -28.169 64.513 -25.099 1.00 73.21 H new ATOM 0 HD23 LEU A 37 -29.349 65.415 -26.078 1.00 73.21 H new ATOM 529 N LEU A 38 -27.473 60.435 -28.780 1.00 52.42 N ATOM 530 CA LEU A 38 -26.990 59.076 -28.569 1.00 14.33 C ATOM 531 C LEU A 38 -26.593 58.859 -27.113 1.00 30.44 C ATOM 532 O LEU A 38 -25.613 59.419 -26.620 1.00 44.50 O ATOM 533 CB LEU A 38 -25.797 58.790 -29.483 1.00 11.23 C ATOM 534 CG LEU A 38 -25.704 57.370 -30.041 1.00 54.43 C ATOM 535 CD1 LEU A 38 -25.852 56.346 -28.927 1.00 13.32 C ATOM 536 CD2 LEU A 38 -26.762 57.150 -31.114 1.00 63.22 C ATOM 0 H LEU A 38 -26.835 61.032 -29.307 1.00 52.42 H new ATOM 0 HA LEU A 38 -27.799 58.387 -28.812 1.00 14.33 H new ATOM 0 HB2 LEU A 38 -25.832 59.486 -30.321 1.00 11.23 H new ATOM 0 HB3 LEU A 38 -24.882 59.002 -28.930 1.00 11.23 H new ATOM 0 HG LEU A 38 -24.721 57.242 -30.494 1.00 54.43 H new ATOM 0 HD11 LEU A 38 -25.783 55.342 -29.345 1.00 13.32 H new ATOM 0 HD12 LEU A 38 -25.059 56.489 -28.193 1.00 13.32 H new ATOM 0 HD13 LEU A 38 -26.821 56.472 -28.443 1.00 13.32 H new ATOM 0 HD21 LEU A 38 -26.682 56.134 -31.501 1.00 63.22 H new ATOM 0 HD22 LEU A 38 -27.753 57.298 -30.684 1.00 63.22 H new ATOM 0 HD23 LEU A 38 -26.610 57.861 -31.926 1.00 63.22 H new ATOM 548 N PRO A 39 -27.369 58.027 -26.405 1.00 74.32 N ATOM 549 CA PRO A 39 -27.117 57.714 -24.994 1.00 24.04 C ATOM 550 C PRO A 39 -25.865 56.865 -24.805 1.00 13.15 C ATOM 551 O PRO A 39 -25.462 56.128 -25.703 1.00 1.13 O ATOM 552 CB PRO A 39 -28.364 56.930 -24.577 1.00 3.45 C ATOM 553 CG PRO A 39 -28.879 56.336 -25.841 1.00 35.51 C ATOM 554 CD PRO A 39 -28.554 57.325 -26.926 1.00 61.52 C ATOM 0 HA PRO A 39 -26.944 58.612 -24.401 1.00 24.04 H new ATOM 0 HB2 PRO A 39 -28.120 56.158 -23.847 1.00 3.45 H new ATOM 0 HB3 PRO A 39 -29.105 57.582 -24.115 1.00 3.45 H new ATOM 0 HG2 PRO A 39 -28.410 55.372 -26.039 1.00 35.51 H new ATOM 0 HG3 PRO A 39 -29.953 56.162 -25.781 1.00 35.51 H new ATOM 0 HD2 PRO A 39 -28.342 56.828 -27.873 1.00 61.52 H new ATOM 0 HD3 PRO A 39 -29.381 58.012 -27.105 1.00 61.52 H new ATOM 562 N GLU A 40 -25.255 56.975 -23.628 1.00 34.45 N ATOM 563 CA GLU A 40 -24.048 56.216 -23.321 1.00 31.21 C ATOM 564 C GLU A 40 -24.254 54.729 -23.596 1.00 43.43 C ATOM 565 O GLU A 40 -25.380 54.245 -23.719 1.00 12.13 O ATOM 566 CB GLU A 40 -23.646 56.424 -21.859 1.00 41.33 C ATOM 567 CG GLU A 40 -22.706 57.601 -21.648 1.00 71.01 C ATOM 568 CD GLU A 40 -21.301 57.321 -22.141 1.00 41.12 C ATOM 569 OE1 GLU A 40 -20.564 56.589 -21.448 1.00 25.21 O ATOM 570 OE2 GLU A 40 -20.937 57.834 -23.220 1.00 71.33 O ATOM 0 H GLU A 40 -25.576 57.581 -22.873 1.00 34.45 H new ATOM 0 HA GLU A 40 -23.248 56.579 -23.966 1.00 31.21 H new ATOM 0 HB2 GLU A 40 -24.545 56.576 -21.262 1.00 41.33 H new ATOM 0 HB3 GLU A 40 -23.168 55.517 -21.490 1.00 41.33 H new ATOM 0 HG2 GLU A 40 -23.102 58.474 -22.166 1.00 71.01 H new ATOM 0 HG3 GLU A 40 -22.672 57.848 -20.587 1.00 71.01 H new ATOM 577 N PRO A 41 -23.142 53.987 -23.697 1.00 44.34 N ATOM 578 CA PRO A 41 -23.174 52.546 -23.960 1.00 24.34 C ATOM 579 C PRO A 41 -23.713 51.752 -22.773 1.00 62.14 C ATOM 580 O PRO A 41 -23.680 50.522 -22.771 1.00 43.32 O ATOM 581 CB PRO A 41 -21.705 52.197 -24.211 1.00 4.20 C ATOM 582 CG PRO A 41 -20.938 53.247 -23.482 1.00 24.42 C ATOM 583 CD PRO A 41 -21.767 54.498 -23.563 1.00 32.13 C ATOM 0 HA PRO A 41 -23.833 52.299 -24.792 1.00 24.34 H new ATOM 0 HB2 PRO A 41 -21.465 51.201 -23.839 1.00 4.20 H new ATOM 0 HB3 PRO A 41 -21.472 52.204 -25.276 1.00 4.20 H new ATOM 0 HG2 PRO A 41 -20.769 52.957 -22.445 1.00 24.42 H new ATOM 0 HG3 PRO A 41 -19.958 53.399 -23.934 1.00 24.42 H new ATOM 0 HD2 PRO A 41 -21.652 55.115 -22.672 1.00 32.13 H new ATOM 0 HD3 PRO A 41 -21.482 55.114 -24.416 1.00 32.13 H new ATOM 591 N ASP A 42 -24.210 52.465 -21.769 1.00 20.43 N ATOM 592 CA ASP A 42 -24.758 51.827 -20.577 1.00 13.24 C ATOM 593 C ASP A 42 -26.034 52.530 -20.123 1.00 14.33 C ATOM 594 O ASP A 42 -25.980 53.594 -19.507 1.00 53.21 O ATOM 595 CB ASP A 42 -23.727 51.835 -19.448 1.00 23.34 C ATOM 596 CG ASP A 42 -23.091 50.475 -19.235 1.00 14.40 C ATOM 597 OD1 ASP A 42 -23.840 49.492 -19.058 1.00 25.11 O ATOM 598 OD2 ASP A 42 -21.844 50.395 -19.245 1.00 10.34 O ATOM 0 H ASP A 42 -24.245 53.484 -21.756 1.00 20.43 H new ATOM 0 HA ASP A 42 -25.002 50.795 -20.827 1.00 13.24 H new ATOM 0 HB2 ASP A 42 -22.950 52.565 -19.675 1.00 23.34 H new ATOM 0 HB3 ASP A 42 -24.207 52.157 -18.524 1.00 23.34 H new ATOM 603 N GLN A 43 -27.178 51.928 -20.432 1.00 65.35 N ATOM 604 CA GLN A 43 -28.466 52.497 -20.057 1.00 0.45 C ATOM 605 C GLN A 43 -28.496 52.843 -18.571 1.00 53.44 C ATOM 606 O GLN A 43 -29.319 53.643 -18.128 1.00 32.42 O ATOM 607 CB GLN A 43 -29.596 51.521 -20.389 1.00 2.12 C ATOM 608 CG GLN A 43 -29.748 50.400 -19.374 1.00 13.44 C ATOM 609 CD GLN A 43 -28.615 49.396 -19.437 1.00 50.00 C ATOM 610 OE1 GLN A 43 -27.893 49.196 -18.460 1.00 64.13 O ATOM 611 NE2 GLN A 43 -28.453 48.758 -20.590 1.00 43.01 N ATOM 0 H GLN A 43 -27.239 51.046 -20.941 1.00 65.35 H new ATOM 0 HA GLN A 43 -28.610 53.414 -20.628 1.00 0.45 H new ATOM 0 HB2 GLN A 43 -30.534 52.072 -20.453 1.00 2.12 H new ATOM 0 HB3 GLN A 43 -29.414 51.088 -21.372 1.00 2.12 H new ATOM 0 HG2 GLN A 43 -29.795 50.827 -18.372 1.00 13.44 H new ATOM 0 HG3 GLN A 43 -30.694 49.886 -19.546 1.00 13.44 H new ATOM 0 HE21 GLN A 43 -29.075 48.955 -21.374 1.00 43.01 H new ATOM 0 HE22 GLN A 43 -27.706 48.070 -20.692 1.00 43.01 H new ATOM 620 N ARG A 44 -27.595 52.233 -17.809 1.00 34.05 N ATOM 621 CA ARG A 44 -27.520 52.475 -16.372 1.00 21.03 C ATOM 622 C ARG A 44 -27.837 53.934 -16.049 1.00 31.43 C ATOM 623 O ARG A 44 -28.501 54.230 -15.056 1.00 42.04 O ATOM 624 CB ARG A 44 -26.129 52.117 -15.845 1.00 33.14 C ATOM 625 CG ARG A 44 -25.968 50.643 -15.507 1.00 52.35 C ATOM 626 CD ARG A 44 -24.680 50.077 -16.083 1.00 62.41 C ATOM 627 NE ARG A 44 -24.124 49.019 -15.243 1.00 14.33 N ATOM 628 CZ ARG A 44 -23.061 48.296 -15.580 1.00 33.31 C ATOM 629 NH1 ARG A 44 -22.444 48.515 -16.732 1.00 73.31 N ATOM 630 NH2 ARG A 44 -22.615 47.351 -14.762 1.00 22.30 N ATOM 0 H ARG A 44 -26.907 51.568 -18.161 1.00 34.05 H new ATOM 0 HA ARG A 44 -28.261 51.842 -15.883 1.00 21.03 H new ATOM 0 HB2 ARG A 44 -25.384 52.394 -16.591 1.00 33.14 H new ATOM 0 HB3 ARG A 44 -25.923 52.710 -14.954 1.00 33.14 H new ATOM 0 HG2 ARG A 44 -25.971 50.514 -14.425 1.00 52.35 H new ATOM 0 HG3 ARG A 44 -26.819 50.084 -15.897 1.00 52.35 H new ATOM 0 HD2 ARG A 44 -24.871 49.684 -17.082 1.00 62.41 H new ATOM 0 HD3 ARG A 44 -23.948 50.878 -16.190 1.00 62.41 H new ATOM 0 HE ARG A 44 -24.576 48.825 -14.350 1.00 14.33 H new ATOM 0 HH11 ARG A 44 -22.785 49.240 -17.363 1.00 73.31 H new ATOM 0 HH12 ARG A 44 -21.628 47.958 -16.988 1.00 73.31 H new ATOM 0 HH21 ARG A 44 -23.088 47.180 -13.875 1.00 22.30 H new ATOM 0 HH22 ARG A 44 -21.799 46.796 -15.021 1.00 22.30 H new ATOM 644 N LYS A 45 -27.356 54.839 -16.895 1.00 34.40 N ATOM 645 CA LYS A 45 -27.589 56.266 -16.700 1.00 62.34 C ATOM 646 C LYS A 45 -27.626 56.997 -18.039 1.00 62.11 C ATOM 647 O LYS A 45 -26.586 57.268 -18.638 1.00 43.51 O ATOM 648 CB LYS A 45 -26.498 56.864 -15.810 1.00 4.44 C ATOM 649 CG LYS A 45 -27.039 57.620 -14.610 1.00 52.41 C ATOM 650 CD LYS A 45 -27.457 56.674 -13.497 1.00 3.04 C ATOM 651 CE LYS A 45 -28.899 56.910 -13.077 1.00 61.34 C ATOM 652 NZ LYS A 45 -29.241 56.172 -11.828 1.00 62.02 N ATOM 0 H LYS A 45 -26.803 54.610 -17.721 1.00 34.40 H new ATOM 0 HA LYS A 45 -28.555 56.389 -16.211 1.00 62.34 H new ATOM 0 HB2 LYS A 45 -25.846 56.063 -15.461 1.00 4.44 H new ATOM 0 HB3 LYS A 45 -25.883 57.538 -16.406 1.00 4.44 H new ATOM 0 HG2 LYS A 45 -26.278 58.307 -14.238 1.00 52.41 H new ATOM 0 HG3 LYS A 45 -27.893 58.225 -14.915 1.00 52.41 H new ATOM 0 HD2 LYS A 45 -27.338 55.643 -13.831 1.00 3.04 H new ATOM 0 HD3 LYS A 45 -26.800 56.809 -12.638 1.00 3.04 H new ATOM 0 HE2 LYS A 45 -29.063 57.977 -12.925 1.00 61.34 H new ATOM 0 HE3 LYS A 45 -29.567 56.596 -13.879 1.00 61.34 H new ATOM 0 HZ1 LYS A 45 -29.852 56.765 -11.231 1.00 62.02 H new ATOM 0 HZ2 LYS A 45 -29.742 55.293 -12.070 1.00 62.02 H new ATOM 0 HZ3 LYS A 45 -28.369 55.942 -11.311 1.00 62.02 H new ATOM 666 N VAL A 46 -28.832 57.315 -18.501 1.00 71.31 N ATOM 667 CA VAL A 46 -29.004 58.017 -19.767 1.00 32.15 C ATOM 668 C VAL A 46 -29.738 59.339 -19.566 1.00 73.54 C ATOM 669 O VAL A 46 -30.922 59.358 -19.224 1.00 50.23 O ATOM 670 CB VAL A 46 -29.782 57.159 -20.783 1.00 10.33 C ATOM 671 CG1 VAL A 46 -30.482 58.045 -21.803 1.00 53.14 C ATOM 672 CG2 VAL A 46 -28.849 56.174 -21.471 1.00 40.03 C ATOM 0 H VAL A 46 -29.703 57.097 -18.017 1.00 71.31 H new ATOM 0 HA VAL A 46 -28.006 58.214 -20.159 1.00 32.15 H new ATOM 0 HB VAL A 46 -30.543 56.591 -20.248 1.00 10.33 H new ATOM 0 HG11 VAL A 46 -31.027 57.422 -22.513 1.00 53.14 H new ATOM 0 HG12 VAL A 46 -31.180 58.707 -21.291 1.00 53.14 H new ATOM 0 HG13 VAL A 46 -29.741 58.641 -22.337 1.00 53.14 H new ATOM 0 HG21 VAL A 46 -29.414 55.576 -22.185 1.00 40.03 H new ATOM 0 HG22 VAL A 46 -28.065 56.721 -21.995 1.00 40.03 H new ATOM 0 HG23 VAL A 46 -28.398 55.519 -20.726 1.00 40.03 H new ATOM 682 N THR A 47 -29.029 60.442 -19.781 1.00 74.55 N ATOM 683 CA THR A 47 -29.614 61.768 -19.623 1.00 45.14 C ATOM 684 C THR A 47 -30.179 62.281 -20.943 1.00 35.32 C ATOM 685 O THR A 47 -29.700 61.874 -22.001 1.00 0.41 O ATOM 686 CB THR A 47 -28.578 62.778 -19.095 1.00 4.44 C ATOM 687 OG1 THR A 47 -27.892 62.230 -17.963 1.00 51.13 O ATOM 688 CG2 THR A 47 -29.248 64.086 -18.703 1.00 3.12 C ATOM 0 H THR A 47 -28.049 60.444 -20.065 1.00 74.55 H new ATOM 0 HA THR A 47 -30.422 61.673 -18.898 1.00 45.14 H new ATOM 0 HB THR A 47 -27.862 62.979 -19.891 1.00 4.44 H new ATOM 0 HG1 THR A 47 -27.234 62.878 -17.634 1.00 51.13 H new ATOM 0 HG21 THR A 47 -28.496 64.783 -18.333 1.00 3.12 H new ATOM 0 HG22 THR A 47 -29.745 64.516 -19.573 1.00 3.12 H new ATOM 0 HG23 THR A 47 -29.984 63.898 -17.921 1.00 3.12 H new ATOM 696 N CYS A 48 -31.173 63.152 -20.856 1.00 22.35 N ATOM 697 CA CYS A 48 -31.788 63.708 -22.047 1.00 44.44 C ATOM 698 C CYS A 48 -31.270 65.135 -22.235 1.00 75.03 C ATOM 699 O CYS A 48 -31.372 65.731 -23.307 1.00 22.01 O ATOM 700 CB CYS A 48 -33.315 63.659 -21.972 1.00 74.54 C ATOM 701 SG CYS A 48 -34.017 65.282 -22.443 1.00 60.02 S ATOM 0 H CYS A 48 -31.568 63.486 -19.977 1.00 22.35 H new ATOM 0 HA CYS A 48 -31.514 63.107 -22.914 1.00 44.44 H new ATOM 0 HB2 CYS A 48 -33.695 62.883 -22.636 1.00 74.54 H new ATOM 0 HB3 CYS A 48 -33.630 63.397 -20.962 1.00 74.54 H new ATOM 0 HG CYS A 48 -33.154 65.936 -23.163 1.00 60.02 H new ATOM 706 N GLU A 49 -30.711 65.675 -21.156 1.00 41.10 N ATOM 707 CA GLU A 49 -30.171 67.030 -21.174 1.00 23.31 C ATOM 708 C GLU A 49 -28.682 67.017 -21.509 1.00 1.55 C ATOM 709 O GLU A 49 -27.949 66.121 -21.092 1.00 24.02 O ATOM 710 CB GLU A 49 -30.394 67.709 -19.823 1.00 53.54 C ATOM 711 CG GLU A 49 -29.409 67.276 -18.751 1.00 51.25 C ATOM 712 CD GLU A 49 -29.244 68.312 -17.656 1.00 44.12 C ATOM 713 OE1 GLU A 49 -30.233 68.588 -16.946 1.00 43.44 O ATOM 714 OE2 GLU A 49 -28.124 68.845 -17.509 1.00 40.53 O ATOM 0 H GLU A 49 -30.620 65.196 -20.260 1.00 41.10 H new ATOM 0 HA GLU A 49 -30.695 67.593 -21.946 1.00 23.31 H new ATOM 0 HB2 GLU A 49 -30.324 68.789 -19.953 1.00 53.54 H new ATOM 0 HB3 GLU A 49 -31.407 67.494 -19.481 1.00 53.54 H new ATOM 0 HG2 GLU A 49 -29.747 66.338 -18.310 1.00 51.25 H new ATOM 0 HG3 GLU A 49 -28.440 67.082 -19.211 1.00 51.25 H new ATOM 775 N GLY A 55 -33.070 69.390 -22.345 1.00 54.53 N ATOM 776 CA GLY A 55 -32.828 68.857 -21.018 1.00 32.25 C ATOM 777 C GLY A 55 -34.075 68.859 -20.155 1.00 72.44 C ATOM 778 O GLY A 55 -34.389 69.888 -19.557 1.00 4.21 O ATOM 0 HA2 GLY A 55 -32.450 67.838 -21.103 1.00 32.25 H new ATOM 0 HA3 GLY A 55 -32.051 69.445 -20.530 1.00 32.25 H new ATOM 782 N CYS A 56 -34.759 67.725 -20.107 1.00 32.31 N ATOM 783 CA CYS A 56 -35.972 67.616 -19.314 1.00 3.42 C ATOM 784 C CYS A 56 -35.584 67.669 -17.834 1.00 64.31 C ATOM 785 O CYS A 56 -36.186 68.375 -17.026 1.00 12.11 O ATOM 786 CB CYS A 56 -36.757 66.347 -19.651 1.00 51.34 C ATOM 787 SG CYS A 56 -37.422 66.458 -21.353 1.00 25.52 S ATOM 0 H CYS A 56 -34.496 66.874 -20.604 1.00 32.31 H new ATOM 0 HA CYS A 56 -36.637 68.448 -19.546 1.00 3.42 H new ATOM 0 HB2 CYS A 56 -36.110 65.474 -19.560 1.00 51.34 H new ATOM 0 HB3 CYS A 56 -37.573 66.214 -18.941 1.00 51.34 H new ATOM 0 HG CYS A 56 -37.214 65.335 -21.974 1.00 25.52 H new ATOM 792 N GLY A 57 -34.555 66.899 -17.495 1.00 63.21 N ATOM 793 CA GLY A 57 -34.080 66.854 -16.123 1.00 73.25 C ATOM 794 C GLY A 57 -34.398 65.536 -15.444 1.00 14.41 C ATOM 795 O GLY A 57 -34.342 65.433 -14.218 1.00 43.12 O ATOM 0 H GLY A 57 -34.041 66.305 -18.146 1.00 63.21 H new ATOM 0 HA2 GLY A 57 -33.002 67.016 -16.109 1.00 73.25 H new ATOM 0 HA3 GLY A 57 -34.532 67.669 -15.558 1.00 73.25 H new ATOM 799 N PHE A 58 -34.731 64.527 -16.241 1.00 11.42 N ATOM 800 CA PHE A 58 -35.061 63.209 -15.709 1.00 41.10 C ATOM 801 C PHE A 58 -34.485 62.107 -16.592 1.00 61.42 C ATOM 802 O PHE A 58 -35.025 61.804 -17.657 1.00 32.44 O ATOM 803 CB PHE A 58 -36.578 63.047 -15.594 1.00 2.34 C ATOM 804 CG PHE A 58 -36.994 61.772 -14.919 1.00 72.21 C ATOM 805 CD1 PHE A 58 -36.951 60.565 -15.600 1.00 11.52 C ATOM 806 CD2 PHE A 58 -37.431 61.779 -13.604 1.00 5.40 C ATOM 807 CE1 PHE A 58 -37.335 59.390 -14.981 1.00 50.45 C ATOM 808 CE2 PHE A 58 -37.814 60.607 -12.980 1.00 53.11 C ATOM 809 CZ PHE A 58 -37.767 59.412 -13.670 1.00 42.21 C ATOM 0 H PHE A 58 -34.780 64.596 -17.258 1.00 11.42 H new ATOM 0 HA PHE A 58 -34.618 63.124 -14.717 1.00 41.10 H new ATOM 0 HB2 PHE A 58 -36.985 63.892 -15.039 1.00 2.34 H new ATOM 0 HB3 PHE A 58 -37.016 63.080 -16.592 1.00 2.34 H new ATOM 0 HD1 PHE A 58 -36.614 60.542 -16.626 1.00 11.52 H new ATOM 0 HD2 PHE A 58 -37.473 62.711 -13.060 1.00 5.40 H new ATOM 0 HE1 PHE A 58 -37.297 58.456 -15.522 1.00 50.45 H new ATOM 0 HE2 PHE A 58 -38.150 60.626 -11.954 1.00 53.11 H new ATOM 0 HZ PHE A 58 -38.068 58.495 -13.185 1.00 42.21 H new ATOM 819 N ALA A 59 -33.385 61.511 -16.143 1.00 1.14 N ATOM 820 CA ALA A 59 -32.736 60.441 -16.891 1.00 31.43 C ATOM 821 C ALA A 59 -33.701 59.289 -17.147 1.00 64.42 C ATOM 822 O ALA A 59 -34.587 59.015 -16.337 1.00 44.11 O ATOM 823 CB ALA A 59 -31.506 59.948 -16.145 1.00 23.25 C ATOM 0 H ALA A 59 -32.925 61.751 -15.265 1.00 1.14 H new ATOM 0 HA ALA A 59 -32.425 60.841 -17.856 1.00 31.43 H new ATOM 0 HB1 ALA A 59 -31.031 59.149 -16.714 1.00 23.25 H new ATOM 0 HB2 ALA A 59 -30.803 60.771 -16.019 1.00 23.25 H new ATOM 0 HB3 ALA A 59 -31.801 59.570 -15.166 1.00 23.25 H new ATOM 829 N PHE A 60 -33.522 58.614 -18.278 1.00 21.30 N ATOM 830 CA PHE A 60 -34.377 57.491 -18.642 1.00 21.53 C ATOM 831 C PHE A 60 -33.542 56.261 -18.987 1.00 64.24 C ATOM 832 O PHE A 60 -32.315 56.350 -19.004 1.00 51.31 O ATOM 833 CB PHE A 60 -35.271 57.864 -19.827 1.00 5.12 C ATOM 834 CG PHE A 60 -34.509 58.396 -21.007 1.00 0.34 C ATOM 835 CD1 PHE A 60 -33.782 59.572 -20.907 1.00 1.31 C ATOM 836 CD2 PHE A 60 -34.518 57.721 -22.216 1.00 50.05 C ATOM 837 CE1 PHE A 60 -33.081 60.066 -21.991 1.00 21.42 C ATOM 838 CE2 PHE A 60 -33.818 58.209 -23.303 1.00 10.11 C ATOM 839 CZ PHE A 60 -33.099 59.383 -23.191 1.00 22.11 C ATOM 0 H PHE A 60 -32.792 58.826 -18.958 1.00 21.30 H new ATOM 0 HA PHE A 60 -35.005 57.253 -17.784 1.00 21.53 H new ATOM 0 HB2 PHE A 60 -35.837 56.985 -20.136 1.00 5.12 H new ATOM 0 HB3 PHE A 60 -35.995 58.612 -19.505 1.00 5.12 H new ATOM 0 HD1 PHE A 60 -33.763 60.109 -19.970 1.00 1.31 H new ATOM 0 HD2 PHE A 60 -35.078 56.803 -22.311 1.00 50.05 H new ATOM 0 HE1 PHE A 60 -32.520 60.984 -21.900 1.00 21.42 H new ATOM 0 HE2 PHE A 60 -33.833 57.672 -24.240 1.00 10.11 H new ATOM 0 HZ PHE A 60 -32.552 59.766 -24.040 1.00 22.11 H new ATOM 849 N CYS A 61 -34.217 55.152 -19.254 1.00 14.03 N ATOM 850 CA CYS A 61 -33.528 53.919 -19.596 1.00 12.44 C ATOM 851 C CYS A 61 -33.572 53.750 -21.115 1.00 12.01 C ATOM 852 O CYS A 61 -34.627 53.559 -21.720 1.00 14.41 O ATOM 853 CB CYS A 61 -34.129 52.715 -18.868 1.00 75.22 C ATOM 854 SG CYS A 61 -33.368 51.169 -19.483 1.00 43.24 S ATOM 0 H CYS A 61 -35.234 55.082 -19.240 1.00 14.03 H new ATOM 0 HA CYS A 61 -32.490 53.976 -19.269 1.00 12.44 H new ATOM 0 HB2 CYS A 61 -33.964 52.809 -17.795 1.00 75.22 H new ATOM 0 HB3 CYS A 61 -35.207 52.686 -19.024 1.00 75.22 H new ATOM 0 HG CYS A 61 -34.285 50.415 -20.012 1.00 43.24 H new ATOM 859 N ARG A 62 -32.393 53.823 -21.723 1.00 71.33 N ATOM 860 CA ARG A 62 -32.268 53.682 -23.169 1.00 14.50 C ATOM 861 C ARG A 62 -32.656 52.275 -23.613 1.00 3.41 C ATOM 862 O ARG A 62 -33.160 52.081 -24.720 1.00 21.34 O ATOM 863 CB ARG A 62 -30.837 53.993 -23.612 1.00 61.11 C ATOM 864 CG ARG A 62 -30.501 53.467 -24.998 1.00 54.30 C ATOM 865 CD ARG A 62 -29.520 52.307 -24.932 1.00 52.32 C ATOM 866 NE ARG A 62 -28.370 52.611 -24.084 1.00 43.30 N ATOM 867 CZ ARG A 62 -27.533 51.688 -23.622 1.00 10.30 C ATOM 868 NH1 ARG A 62 -27.719 50.411 -23.923 1.00 65.22 N ATOM 869 NH2 ARG A 62 -26.509 52.043 -22.857 1.00 10.31 N ATOM 0 H ARG A 62 -31.510 53.979 -21.237 1.00 71.33 H new ATOM 0 HA ARG A 62 -32.948 54.393 -23.638 1.00 14.50 H new ATOM 0 HB2 ARG A 62 -30.687 55.073 -23.596 1.00 61.11 H new ATOM 0 HB3 ARG A 62 -30.141 53.564 -22.891 1.00 61.11 H new ATOM 0 HG2 ARG A 62 -31.415 53.144 -25.497 1.00 54.30 H new ATOM 0 HG3 ARG A 62 -30.076 54.270 -25.600 1.00 54.30 H new ATOM 0 HD2 ARG A 62 -30.029 51.423 -24.549 1.00 52.32 H new ATOM 0 HD3 ARG A 62 -29.175 52.066 -25.938 1.00 52.32 H new ATOM 0 HE ARG A 62 -28.200 53.585 -23.833 1.00 43.30 H new ATOM 0 HH11 ARG A 62 -28.506 50.135 -24.510 1.00 65.22 H new ATOM 0 HH12 ARG A 62 -27.075 49.704 -23.567 1.00 65.22 H new ATOM 0 HH21 ARG A 62 -26.364 53.025 -22.623 1.00 10.31 H new ATOM 0 HH22 ARG A 62 -25.867 51.334 -22.503 1.00 10.31 H new ATOM 883 N GLU A 63 -32.417 51.298 -22.745 1.00 32.24 N ATOM 884 CA GLU A 63 -32.740 49.910 -23.048 1.00 50.24 C ATOM 885 C GLU A 63 -34.212 49.765 -23.430 1.00 43.11 C ATOM 886 O GLU A 63 -34.520 49.047 -24.380 1.00 44.45 O ATOM 887 CB GLU A 63 -32.423 49.014 -21.849 1.00 43.25 C ATOM 888 CG GLU A 63 -31.559 47.814 -22.199 1.00 63.33 C ATOM 889 CD GLU A 63 -32.379 46.592 -22.566 1.00 62.14 C ATOM 890 OE1 GLU A 63 -33.496 46.765 -23.097 1.00 5.40 O ATOM 891 OE2 GLU A 63 -31.904 45.463 -22.322 1.00 33.41 O ATOM 0 H GLU A 63 -32.000 51.443 -21.825 1.00 32.24 H new ATOM 0 HA GLU A 63 -32.129 49.599 -23.895 1.00 50.24 H new ATOM 0 HB2 GLU A 63 -31.916 49.606 -21.087 1.00 43.25 H new ATOM 0 HB3 GLU A 63 -33.357 48.663 -21.411 1.00 43.25 H new ATOM 0 HG2 GLU A 63 -30.906 48.072 -23.032 1.00 63.33 H new ATOM 0 HG3 GLU A 63 -30.916 47.575 -21.352 1.00 63.33 H new ATOM 898 N CYS A 64 -35.076 50.441 -22.688 1.00 50.23 N ATOM 899 CA CYS A 64 -36.503 50.379 -22.959 1.00 33.34 C ATOM 900 C CYS A 64 -36.981 51.779 -23.344 1.00 2.41 C ATOM 901 O CYS A 64 -38.169 52.032 -23.547 1.00 14.24 O ATOM 902 CB CYS A 64 -37.280 49.817 -21.765 1.00 24.13 C ATOM 903 SG CYS A 64 -36.846 50.741 -20.246 1.00 60.14 S ATOM 0 H CYS A 64 -34.816 51.034 -21.900 1.00 50.23 H new ATOM 0 HA CYS A 64 -36.690 49.694 -23.786 1.00 33.34 H new ATOM 0 HB2 CYS A 64 -38.352 49.889 -21.951 1.00 24.13 H new ATOM 0 HB3 CYS A 64 -37.050 48.759 -21.636 1.00 24.13 H new ATOM 0 HG CYS A 64 -37.026 49.979 -19.208 1.00 60.14 H new ATOM 908 N LYS A 65 -36.021 52.693 -23.440 1.00 53.44 N ATOM 909 CA LYS A 65 -36.314 54.075 -23.801 1.00 41.33 C ATOM 910 C LYS A 65 -37.529 54.590 -23.037 1.00 12.22 C ATOM 911 O LYS A 65 -38.285 55.420 -23.542 1.00 45.10 O ATOM 912 CB LYS A 65 -36.558 54.191 -25.306 1.00 4.50 C ATOM 913 CG LYS A 65 -37.299 53.004 -25.897 1.00 34.13 C ATOM 914 CD LYS A 65 -37.411 53.111 -27.408 1.00 12.42 C ATOM 915 CE LYS A 65 -38.862 53.217 -27.853 1.00 73.41 C ATOM 916 NZ LYS A 65 -39.427 51.889 -28.224 1.00 64.22 N ATOM 0 H LYS A 65 -35.033 52.501 -23.273 1.00 53.44 H new ATOM 0 HA LYS A 65 -35.452 54.685 -23.532 1.00 41.33 H new ATOM 0 HB2 LYS A 65 -37.128 55.099 -25.504 1.00 4.50 H new ATOM 0 HB3 LYS A 65 -35.599 54.299 -25.813 1.00 4.50 H new ATOM 0 HG2 LYS A 65 -36.779 52.083 -25.634 1.00 34.13 H new ATOM 0 HG3 LYS A 65 -38.296 52.943 -25.461 1.00 34.13 H new ATOM 0 HD2 LYS A 65 -36.858 53.985 -27.754 1.00 12.42 H new ATOM 0 HD3 LYS A 65 -36.950 52.238 -27.871 1.00 12.42 H new ATOM 0 HE2 LYS A 65 -39.457 53.654 -27.051 1.00 73.41 H new ATOM 0 HE3 LYS A 65 -38.932 53.893 -28.706 1.00 73.41 H new ATOM 0 HZ1 LYS A 65 -40.417 52.004 -28.521 1.00 64.22 H new ATOM 0 HZ2 LYS A 65 -38.875 51.483 -29.007 1.00 64.22 H new ATOM 0 HZ3 LYS A 65 -39.384 51.252 -27.403 1.00 64.22 H new ATOM 930 N GLU A 66 -37.711 54.094 -21.816 1.00 44.15 N ATOM 931 CA GLU A 66 -38.835 54.506 -20.986 1.00 33.53 C ATOM 932 C GLU A 66 -38.346 55.135 -19.683 1.00 74.23 C ATOM 933 O GLU A 66 -37.145 55.196 -19.423 1.00 72.01 O ATOM 934 CB GLU A 66 -39.737 53.308 -20.679 1.00 14.30 C ATOM 935 CG GLU A 66 -41.210 53.573 -20.940 1.00 71.43 C ATOM 936 CD GLU A 66 -42.118 52.666 -20.133 1.00 3.32 C ATOM 937 OE1 GLU A 66 -42.088 52.752 -18.887 1.00 53.52 O ATOM 938 OE2 GLU A 66 -42.859 51.871 -20.748 1.00 75.11 O ATOM 0 H GLU A 66 -37.095 53.407 -21.382 1.00 44.15 H new ATOM 0 HA GLU A 66 -39.408 55.251 -21.538 1.00 33.53 H new ATOM 0 HB2 GLU A 66 -39.417 52.459 -21.282 1.00 14.30 H new ATOM 0 HB3 GLU A 66 -39.607 53.024 -19.635 1.00 14.30 H new ATOM 0 HG2 GLU A 66 -41.436 54.612 -20.702 1.00 71.43 H new ATOM 0 HG3 GLU A 66 -41.417 53.437 -22.001 1.00 71.43 H new ATOM 945 N ALA A 67 -39.288 55.602 -18.868 1.00 44.13 N ATOM 946 CA ALA A 67 -38.953 56.226 -17.594 1.00 74.45 C ATOM 947 C ALA A 67 -38.038 55.328 -16.768 1.00 2.34 C ATOM 948 O ALA A 67 -38.303 54.139 -16.600 1.00 24.31 O ATOM 949 CB ALA A 67 -40.222 56.546 -16.816 1.00 24.33 C ATOM 0 H ALA A 67 -40.287 55.560 -19.068 1.00 44.13 H new ATOM 0 HA ALA A 67 -38.420 57.154 -17.799 1.00 74.45 H new ATOM 0 HB1 ALA A 67 -39.959 57.012 -15.866 1.00 24.33 H new ATOM 0 HB2 ALA A 67 -40.842 57.230 -17.396 1.00 24.33 H new ATOM 0 HB3 ALA A 67 -40.775 55.626 -16.628 1.00 24.33 H new ATOM 955 N TYR A 68 -36.956 55.908 -16.256 1.00 61.30 N ATOM 956 CA TYR A 68 -35.998 55.161 -15.451 1.00 62.42 C ATOM 957 C TYR A 68 -36.701 54.414 -14.320 1.00 63.10 C ATOM 958 O TYR A 68 -37.418 55.011 -13.518 1.00 35.00 O ATOM 959 CB TYR A 68 -34.940 56.103 -14.873 1.00 54.33 C ATOM 960 CG TYR A 68 -33.658 55.406 -14.478 1.00 63.14 C ATOM 961 CD1 TYR A 68 -33.549 54.746 -13.261 1.00 10.02 C ATOM 962 CD2 TYR A 68 -32.556 55.406 -15.325 1.00 63.24 C ATOM 963 CE1 TYR A 68 -32.379 54.109 -12.897 1.00 60.44 C ATOM 964 CE2 TYR A 68 -31.383 54.770 -14.971 1.00 52.01 C ATOM 965 CZ TYR A 68 -31.299 54.123 -13.755 1.00 62.13 C ATOM 966 OH TYR A 68 -30.132 53.488 -13.397 1.00 1.32 O ATOM 0 H TYR A 68 -36.722 56.892 -16.385 1.00 61.30 H new ATOM 0 HA TYR A 68 -35.511 54.431 -16.098 1.00 62.42 H new ATOM 0 HB2 TYR A 68 -34.712 56.875 -15.608 1.00 54.33 H new ATOM 0 HB3 TYR A 68 -35.353 56.607 -14.000 1.00 54.33 H new ATOM 0 HD1 TYR A 68 -34.393 54.731 -12.588 1.00 10.02 H new ATOM 0 HD2 TYR A 68 -32.618 55.912 -16.277 1.00 63.24 H new ATOM 0 HE1 TYR A 68 -32.310 53.603 -11.946 1.00 60.44 H new ATOM 0 HE2 TYR A 68 -30.536 54.779 -15.642 1.00 52.01 H new ATOM 0 HH TYR A 68 -29.516 53.481 -14.159 1.00 1.32 H new ATOM 976 N HIS A 69 -36.490 53.103 -14.265 1.00 62.04 N ATOM 977 CA HIS A 69 -37.101 52.273 -13.234 1.00 32.21 C ATOM 978 C HIS A 69 -36.065 51.837 -12.203 1.00 73.53 C ATOM 979 O HIS A 69 -34.908 51.587 -12.538 1.00 41.14 O ATOM 980 CB HIS A 69 -37.760 51.045 -13.862 1.00 72.35 C ATOM 981 CG HIS A 69 -37.078 50.570 -15.108 1.00 71.31 C ATOM 982 ND1 HIS A 69 -35.765 50.515 -15.433 1.00 73.22 N flip ATOM 983 CD2 HIS A 69 -37.761 50.079 -16.201 1.00 33.33 C flip ATOM 984 CE1 HIS A 69 -35.679 49.996 -16.701 1.00 42.42 C flip ATOM 985 NE2 HIS A 69 -36.898 49.740 -17.141 1.00 32.41 N flip ATOM 0 H HIS A 69 -35.900 52.593 -14.923 1.00 62.04 H new ATOM 0 HA HIS A 69 -37.863 52.867 -12.729 1.00 32.21 H new ATOM 0 HB2 HIS A 69 -37.770 50.235 -13.132 1.00 72.35 H new ATOM 0 HB3 HIS A 69 -38.799 51.279 -14.093 1.00 72.35 H new ATOM 0 HD1 HIS A 69 -34.984 50.805 -14.845 1.00 73.22 H new ATOM 0 HD2 HIS A 69 -38.834 49.986 -16.276 1.00 33.33 H new ATOM 0 HE1 HIS A 69 -34.764 49.825 -17.249 1.00 42.42 H new ATOM 993 N GLU A 70 -36.490 51.749 -10.946 1.00 71.44 N ATOM 994 CA GLU A 70 -35.598 51.344 -9.865 1.00 12.02 C ATOM 995 C GLU A 70 -35.434 49.828 -9.834 1.00 31.33 C ATOM 996 O GLU A 70 -34.946 49.266 -8.855 1.00 30.41 O ATOM 997 CB GLU A 70 -36.132 51.840 -8.520 1.00 60.25 C ATOM 998 CG GLU A 70 -36.246 53.352 -8.429 1.00 70.14 C ATOM 999 CD GLU A 70 -37.663 53.815 -8.149 1.00 21.14 C ATOM 1000 OE1 GLU A 70 -38.158 53.562 -7.030 1.00 51.33 O ATOM 1001 OE2 GLU A 70 -38.275 54.429 -9.046 1.00 50.53 O ATOM 0 H GLU A 70 -37.445 51.952 -10.651 1.00 71.44 H new ATOM 0 HA GLU A 70 -34.621 51.793 -10.047 1.00 12.02 H new ATOM 0 HB2 GLU A 70 -37.113 51.399 -8.344 1.00 60.25 H new ATOM 0 HB3 GLU A 70 -35.476 51.485 -7.725 1.00 60.25 H new ATOM 0 HG2 GLU A 70 -35.587 53.715 -7.641 1.00 70.14 H new ATOM 0 HG3 GLU A 70 -35.901 53.795 -9.363 1.00 70.14 H new ATOM 1008 N GLY A 71 -35.848 49.171 -10.912 1.00 42.20 N ATOM 1009 CA GLY A 71 -35.740 47.725 -10.989 1.00 13.15 C ATOM 1010 C GLY A 71 -35.002 47.262 -12.230 1.00 11.32 C ATOM 1011 O GLY A 71 -33.779 47.129 -12.218 1.00 13.10 O ATOM 0 H GLY A 71 -36.257 49.614 -11.735 1.00 42.20 H new ATOM 0 HA2 GLY A 71 -35.223 47.355 -10.104 1.00 13.15 H new ATOM 0 HA3 GLY A 71 -36.739 47.289 -10.980 1.00 13.15 H new ATOM 1015 N GLU A 72 -35.748 47.017 -13.302 1.00 1.40 N ATOM 1016 CA GLU A 72 -35.157 46.564 -14.556 1.00 13.51 C ATOM 1017 C GLU A 72 -36.221 46.427 -15.641 1.00 0.45 C ATOM 1018 O GLU A 72 -37.393 46.246 -15.315 1.00 60.11 O ATOM 1019 CB GLU A 72 -34.441 45.227 -14.355 1.00 14.34 C ATOM 1020 CG GLU A 72 -33.234 45.041 -15.257 1.00 24.33 C ATOM 1021 CD GLU A 72 -31.921 45.182 -14.512 1.00 31.32 C ATOM 1022 OE1 GLU A 72 -31.922 45.029 -13.271 1.00 43.04 O ATOM 1023 OE2 GLU A 72 -30.891 45.444 -15.167 1.00 3.51 O ATOM 0 H GLU A 72 -36.762 47.124 -13.328 1.00 1.40 H new ATOM 0 HA GLU A 72 -34.431 47.311 -14.876 1.00 13.51 H new ATOM 0 HB2 GLU A 72 -34.123 45.148 -13.316 1.00 14.34 H new ATOM 0 HB3 GLU A 72 -35.147 44.416 -14.535 1.00 14.34 H new ATOM 0 HG2 GLU A 72 -33.280 44.056 -15.721 1.00 24.33 H new ATOM 0 HG3 GLU A 72 -33.271 45.774 -16.063 1.00 24.33 H new ATOM 1030 N CYS A 73 -35.794 46.514 -16.892 1.00 4.15 N ATOM 1031 CA CYS A 73 -36.717 46.398 -18.008 1.00 61.10 C ATOM 1032 C CYS A 73 -37.644 45.211 -17.742 1.00 72.43 C ATOM 1033 O CYS A 73 -38.859 45.351 -17.600 1.00 54.31 O ATOM 1034 CB CYS A 73 -35.979 46.259 -19.341 1.00 13.11 C ATOM 1035 SG CYS A 73 -34.777 47.625 -19.537 1.00 12.14 S ATOM 0 H CYS A 73 -34.821 46.664 -17.158 1.00 4.15 H new ATOM 0 HA CYS A 73 -37.309 47.309 -18.090 1.00 61.10 H new ATOM 0 HB2 CYS A 73 -35.462 45.300 -19.382 1.00 13.11 H new ATOM 0 HB3 CYS A 73 -36.693 46.271 -20.164 1.00 13.11 H new ATOM 0 HG CYS A 73 -35.412 48.727 -19.806 1.00 12.14 H new