USER MOD reduce.3.24.130724 H: found=0, std=0, add=315, rem=0, adj=10 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 43 GLN : amide:sc= -2.93! C(o=-16!,f=-12!) USER MOD Set 1.2: A 61 CYS SG : rot -116:sc= -1.03 USER MOD Set 1.3: A 64 CYS SG : rot 157:sc= -1.04 USER MOD Set 1.4: A 69 HIS : no HD1:sc= -11! C(o=-16!,f=-11!) USER MOD Set 1.5: A 73 CYS SG : rot -91:sc= 0.41 USER MOD Set 2.1: A 28 CYS SG : rot 123:sc= -0.555 USER MOD Set 2.2: A 33 CYS SG : rot 166:sc= 0.489 USER MOD Set 2.3: A 48 CYS SG : rot 29:sc= 0.314 USER MOD Set 2.4: A 56 CYS SG : rot 155:sc= 0.948 USER MOD Single : A 23 MET CE :methyl -109:sc= -0.387 (180deg=-2.22) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 Single : A 68 TYR OH : rot 4:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 341 N MET A 23 -31.950 49.222 -28.931 1.00 75.10 N ATOM 342 CA MET A 23 -32.152 50.519 -28.298 1.00 41.50 C ATOM 343 C MET A 23 -31.624 51.644 -29.183 1.00 54.42 C ATOM 344 O MET A 23 -32.253 52.694 -29.309 1.00 43.51 O ATOM 345 CB MET A 23 -31.458 50.560 -26.936 1.00 31.15 C ATOM 346 CG MET A 23 -29.963 50.819 -27.022 1.00 41.21 C ATOM 347 SD MET A 23 -29.048 49.406 -27.669 1.00 31.45 S ATOM 348 CE MET A 23 -27.734 50.231 -28.560 1.00 41.44 C ATOM 0 HA MET A 23 -33.223 50.663 -28.157 1.00 41.50 H new ATOM 0 HB2 MET A 23 -31.918 51.337 -26.326 1.00 31.15 H new ATOM 0 HB3 MET A 23 -31.625 49.612 -26.424 1.00 31.15 H new ATOM 0 HG2 MET A 23 -29.785 51.685 -27.659 1.00 41.21 H new ATOM 0 HG3 MET A 23 -29.584 51.069 -26.031 1.00 41.21 H new ATOM 0 HE1 MET A 23 -27.891 50.113 -29.632 1.00 41.44 H new ATOM 0 HE2 MET A 23 -27.734 51.291 -28.308 1.00 41.44 H new ATOM 0 HE3 MET A 23 -26.775 49.792 -28.283 1.00 41.44 H new ATOM 358 N GLY A 24 -30.465 51.416 -29.795 1.00 52.42 N ATOM 359 CA GLY A 24 -29.872 52.420 -30.659 1.00 71.35 C ATOM 360 C GLY A 24 -30.233 53.831 -30.240 1.00 4.24 C ATOM 361 O GLY A 24 -30.250 54.148 -29.052 1.00 4.21 O ATOM 0 H GLY A 24 -29.927 50.554 -29.708 1.00 52.42 H new ATOM 0 HA2 GLY A 24 -28.788 52.308 -30.650 1.00 71.35 H new ATOM 0 HA3 GLY A 24 -30.202 52.253 -31.684 1.00 71.35 H new ATOM 365 N GLY A 25 -30.520 54.683 -31.220 1.00 12.31 N ATOM 366 CA GLY A 25 -30.875 56.060 -30.926 1.00 43.01 C ATOM 367 C GLY A 25 -32.203 56.175 -30.207 1.00 22.53 C ATOM 368 O GLY A 25 -33.049 55.286 -30.303 1.00 62.23 O ATOM 0 H GLY A 25 -30.513 54.445 -32.212 1.00 12.31 H new ATOM 0 HA2 GLY A 25 -30.094 56.511 -30.314 1.00 43.01 H new ATOM 0 HA3 GLY A 25 -30.918 56.627 -31.856 1.00 43.01 H new ATOM 372 N VAL A 26 -32.389 57.273 -29.482 1.00 40.20 N ATOM 373 CA VAL A 26 -33.624 57.501 -28.742 1.00 42.42 C ATOM 374 C VAL A 26 -33.904 58.992 -28.587 1.00 74.11 C ATOM 375 O VAL A 26 -32.982 59.797 -28.445 1.00 31.12 O ATOM 376 CB VAL A 26 -33.572 56.851 -27.347 1.00 64.21 C ATOM 377 CG1 VAL A 26 -32.419 57.421 -26.535 1.00 5.23 C ATOM 378 CG2 VAL A 26 -34.894 57.045 -26.620 1.00 3.24 C ATOM 0 H VAL A 26 -31.699 58.019 -29.391 1.00 40.20 H new ATOM 0 HA VAL A 26 -34.427 57.041 -29.318 1.00 42.42 H new ATOM 0 HB VAL A 26 -33.404 55.781 -27.470 1.00 64.21 H new ATOM 0 HG11 VAL A 26 -32.398 56.950 -25.552 1.00 5.23 H new ATOM 0 HG12 VAL A 26 -31.479 57.226 -27.051 1.00 5.23 H new ATOM 0 HG13 VAL A 26 -32.552 58.497 -26.419 1.00 5.23 H new ATOM 0 HG21 VAL A 26 -34.840 56.579 -25.636 1.00 3.24 H new ATOM 0 HG22 VAL A 26 -35.094 58.110 -26.507 1.00 3.24 H new ATOM 0 HG23 VAL A 26 -35.697 56.584 -27.196 1.00 3.24 H new ATOM 388 N LEU A 27 -35.181 59.355 -28.613 1.00 34.31 N ATOM 389 CA LEU A 27 -35.584 60.750 -28.472 1.00 15.04 C ATOM 390 C LEU A 27 -36.550 60.923 -27.306 1.00 72.42 C ATOM 391 O LEU A 27 -37.193 59.953 -26.905 1.00 44.00 O ATOM 392 CB LEU A 27 -36.233 61.246 -29.765 1.00 1.42 C ATOM 393 CG LEU A 27 -37.349 60.370 -30.335 1.00 51.45 C ATOM 394 CD1 LEU A 27 -38.701 60.815 -29.803 1.00 61.42 C ATOM 395 CD2 LEU A 27 -37.332 60.410 -31.857 1.00 74.41 C ATOM 0 H LEU A 27 -35.956 58.702 -28.730 1.00 34.31 H new ATOM 0 HA LEU A 27 -34.691 61.342 -28.270 1.00 15.04 H new ATOM 0 HB2 LEU A 27 -36.636 62.243 -29.586 1.00 1.42 H new ATOM 0 HB3 LEU A 27 -35.456 61.348 -30.522 1.00 1.42 H new ATOM 0 HG LEU A 27 -37.178 59.342 -30.016 1.00 51.45 H new ATOM 0 HD11 LEU A 27 -39.483 60.180 -30.220 1.00 61.42 H new ATOM 0 HD12 LEU A 27 -38.709 60.734 -28.716 1.00 61.42 H new ATOM 0 HD13 LEU A 27 -38.883 61.850 -30.091 1.00 61.42 H new ATOM 0 HD21 LEU A 27 -38.133 59.781 -32.246 1.00 74.41 H new ATOM 0 HD22 LEU A 27 -37.479 61.436 -32.196 1.00 74.41 H new ATOM 0 HD23 LEU A 27 -36.372 60.042 -32.220 1.00 74.41 H new ATOM 407 N CYS A 28 -36.636 62.143 -26.792 1.00 62.43 N ATOM 408 CA CYS A 28 -37.526 62.425 -25.680 1.00 61.34 C ATOM 409 C CYS A 28 -38.969 62.304 -26.176 1.00 2.13 C ATOM 410 O CYS A 28 -39.341 62.750 -27.261 1.00 4.35 O ATOM 411 CB CYS A 28 -37.248 63.800 -25.068 1.00 10.24 C ATOM 412 SG CYS A 28 -37.004 63.642 -23.261 1.00 1.53 S ATOM 0 H CYS A 28 -36.103 62.946 -27.126 1.00 62.43 H new ATOM 0 HA CYS A 28 -37.355 61.702 -24.882 1.00 61.34 H new ATOM 0 HB2 CYS A 28 -36.362 64.239 -25.526 1.00 10.24 H new ATOM 0 HB3 CYS A 28 -38.080 64.474 -25.274 1.00 10.24 H new ATOM 0 HG CYS A 28 -35.845 64.133 -22.935 1.00 1.53 H new ATOM 417 N PRO A 29 -39.805 61.673 -25.338 1.00 11.54 N ATOM 418 CA PRO A 29 -41.223 61.463 -25.644 1.00 42.32 C ATOM 419 C PRO A 29 -42.020 62.763 -25.616 1.00 50.34 C ATOM 420 O PRO A 29 -43.187 62.795 -26.009 1.00 35.25 O ATOM 421 CB PRO A 29 -41.692 60.525 -24.529 1.00 51.41 C ATOM 422 CG PRO A 29 -40.755 60.783 -23.399 1.00 54.11 C ATOM 423 CD PRO A 29 -39.431 61.116 -24.026 1.00 41.35 C ATOM 0 HA PRO A 29 -41.368 61.061 -26.647 1.00 42.32 H new ATOM 0 HB2 PRO A 29 -42.723 60.733 -24.244 1.00 51.41 H new ATOM 0 HB3 PRO A 29 -41.653 59.483 -24.846 1.00 51.41 H new ATOM 0 HG2 PRO A 29 -41.110 61.605 -22.778 1.00 54.11 H new ATOM 0 HG3 PRO A 29 -40.672 59.909 -22.754 1.00 54.11 H new ATOM 0 HD2 PRO A 29 -38.873 61.836 -23.428 1.00 41.35 H new ATOM 0 HD3 PRO A 29 -38.802 60.232 -24.129 1.00 41.35 H new ATOM 431 N ARG A 30 -41.382 63.834 -25.154 1.00 23.42 N ATOM 432 CA ARG A 30 -42.034 65.136 -25.075 1.00 10.31 C ATOM 433 C ARG A 30 -41.927 65.877 -26.404 1.00 42.15 C ATOM 434 O ARG A 30 -40.885 65.885 -27.058 1.00 3.23 O ATOM 435 CB ARG A 30 -41.408 65.976 -23.960 1.00 11.24 C ATOM 436 CG ARG A 30 -41.646 65.414 -22.568 1.00 24.42 C ATOM 437 CD ARG A 30 -40.374 65.435 -21.734 1.00 54.02 C ATOM 438 NE ARG A 30 -40.656 65.600 -20.310 1.00 42.20 N ATOM 439 CZ ARG A 30 -41.244 66.673 -19.798 1.00 52.13 C ATOM 440 NH1 ARG A 30 -41.615 67.672 -20.588 1.00 44.42 N ATOM 441 NH2 ARG A 30 -41.468 66.750 -18.492 1.00 55.41 N ATOM 0 H ARG A 30 -40.415 63.826 -24.829 1.00 23.42 H new ATOM 0 HA ARG A 30 -43.088 64.974 -24.851 1.00 10.31 H new ATOM 0 HB2 ARG A 30 -40.335 66.052 -24.133 1.00 11.24 H new ATOM 0 HB3 ARG A 30 -41.812 66.987 -24.008 1.00 11.24 H new ATOM 0 HG2 ARG A 30 -42.420 65.995 -22.067 1.00 24.42 H new ATOM 0 HG3 ARG A 30 -42.015 64.391 -22.645 1.00 24.42 H new ATOM 0 HD2 ARG A 30 -39.823 64.507 -21.889 1.00 54.02 H new ATOM 0 HD3 ARG A 30 -39.732 66.248 -22.073 1.00 54.02 H new ATOM 0 HE ARG A 30 -40.386 64.849 -19.675 1.00 42.20 H new ATOM 0 HH11 ARG A 30 -41.448 67.617 -21.593 1.00 44.42 H new ATOM 0 HH12 ARG A 30 -42.067 68.496 -20.191 1.00 44.42 H new ATOM 0 HH21 ARG A 30 -41.188 65.983 -17.880 1.00 55.41 H new ATOM 0 HH22 ARG A 30 -41.920 67.576 -18.100 1.00 55.41 H new ATOM 455 N PRO A 31 -43.033 66.516 -26.817 1.00 15.11 N ATOM 456 CA PRO A 31 -43.090 67.271 -28.071 1.00 54.31 C ATOM 457 C PRO A 31 -42.256 68.546 -28.018 1.00 5.34 C ATOM 458 O PRO A 31 -41.752 69.013 -29.039 1.00 54.32 O ATOM 459 CB PRO A 31 -44.576 67.611 -28.212 1.00 62.14 C ATOM 460 CG PRO A 31 -45.102 67.599 -26.820 1.00 75.43 C ATOM 461 CD PRO A 31 -44.313 66.550 -26.087 1.00 4.42 C ATOM 0 HA PRO A 31 -42.687 66.702 -28.908 1.00 54.31 H new ATOM 0 HB2 PRO A 31 -44.716 68.586 -28.680 1.00 62.14 H new ATOM 0 HB3 PRO A 31 -45.091 66.881 -28.836 1.00 62.14 H new ATOM 0 HG2 PRO A 31 -44.984 68.575 -26.350 1.00 75.43 H new ATOM 0 HG3 PRO A 31 -46.167 67.366 -26.807 1.00 75.43 H new ATOM 0 HD2 PRO A 31 -44.171 66.813 -25.039 1.00 4.42 H new ATOM 0 HD3 PRO A 31 -44.814 65.582 -26.108 1.00 4.42 H new ATOM 469 N GLY A 32 -42.110 69.104 -26.820 1.00 42.51 N ATOM 470 CA GLY A 32 -41.334 70.320 -26.658 1.00 34.00 C ATOM 471 C GLY A 32 -39.863 70.041 -26.425 1.00 50.51 C ATOM 472 O GLY A 32 -39.098 70.986 -26.235 1.00 44.40 O ATOM 0 H GLY A 32 -42.515 68.736 -25.959 1.00 42.51 H new ATOM 0 HA2 GLY A 32 -41.447 70.941 -27.547 1.00 34.00 H new ATOM 0 HA3 GLY A 32 -41.730 70.891 -25.818 1.00 34.00 H new ATOM 476 N CYS A 33 -39.495 68.770 -26.444 1.00 34.53 N ATOM 477 CA CYS A 33 -38.109 68.389 -26.230 1.00 63.21 C ATOM 478 C CYS A 33 -37.689 67.453 -27.365 1.00 24.42 C ATOM 479 O CYS A 33 -38.189 66.339 -27.513 1.00 63.40 O ATOM 480 CB CYS A 33 -37.902 67.748 -24.856 1.00 61.12 C ATOM 481 SG CYS A 33 -36.216 67.049 -24.737 1.00 42.32 S ATOM 0 H CYS A 33 -40.132 67.990 -26.604 1.00 34.53 H new ATOM 0 HA CYS A 33 -37.479 69.279 -26.240 1.00 63.21 H new ATOM 0 HB2 CYS A 33 -38.052 68.491 -24.073 1.00 61.12 H new ATOM 0 HB3 CYS A 33 -38.642 66.963 -24.697 1.00 61.12 H new ATOM 0 HG CYS A 33 -35.948 66.770 -23.496 1.00 42.32 H new ATOM 486 N GLY A 34 -36.747 67.935 -28.171 1.00 25.45 N ATOM 487 CA GLY A 34 -36.256 67.150 -29.290 1.00 0.55 C ATOM 488 C GLY A 34 -34.901 66.528 -29.010 1.00 52.23 C ATOM 489 O GLY A 34 -34.015 66.546 -29.864 1.00 65.51 O ATOM 0 H GLY A 34 -36.316 68.854 -28.069 1.00 25.45 H new ATOM 0 HA2 GLY A 34 -36.974 66.363 -29.520 1.00 0.55 H new ATOM 0 HA3 GLY A 34 -36.186 67.785 -30.173 1.00 0.55 H new ATOM 493 N ALA A 35 -34.739 65.980 -27.812 1.00 31.24 N ATOM 494 CA ALA A 35 -33.484 65.349 -27.422 1.00 11.40 C ATOM 495 C ALA A 35 -32.878 64.570 -28.584 1.00 55.10 C ATOM 496 O ALA A 35 -31.798 64.903 -29.071 1.00 22.24 O ATOM 497 CB ALA A 35 -33.701 64.434 -26.226 1.00 55.34 C ATOM 0 H ALA A 35 -35.462 65.960 -27.093 1.00 31.24 H new ATOM 0 HA ALA A 35 -32.783 66.135 -27.140 1.00 11.40 H new ATOM 0 HB1 ALA A 35 -32.755 63.970 -25.946 1.00 55.34 H new ATOM 0 HB2 ALA A 35 -34.082 65.016 -25.387 1.00 55.34 H new ATOM 0 HB3 ALA A 35 -34.422 63.659 -26.487 1.00 55.34 H new ATOM 503 N GLY A 36 -33.580 63.531 -29.024 1.00 72.24 N ATOM 504 CA GLY A 36 -33.095 62.720 -30.125 1.00 41.03 C ATOM 505 C GLY A 36 -31.588 62.558 -30.106 1.00 53.44 C ATOM 506 O GLY A 36 -30.907 62.900 -31.074 1.00 32.34 O ATOM 0 H GLY A 36 -34.477 63.236 -28.637 1.00 72.24 H new ATOM 0 HA2 GLY A 36 -33.564 61.737 -30.082 1.00 41.03 H new ATOM 0 HA3 GLY A 36 -33.396 63.176 -31.068 1.00 41.03 H new ATOM 510 N LEU A 37 -31.065 62.037 -29.002 1.00 12.51 N ATOM 511 CA LEU A 37 -29.627 61.832 -28.857 1.00 71.24 C ATOM 512 C LEU A 37 -29.316 60.374 -28.537 1.00 45.31 C ATOM 513 O LEU A 37 -30.134 59.667 -27.948 1.00 54.32 O ATOM 514 CB LEU A 37 -29.070 62.739 -27.759 1.00 41.34 C ATOM 515 CG LEU A 37 -29.867 62.783 -26.456 1.00 11.11 C ATOM 516 CD1 LEU A 37 -29.077 62.143 -25.325 1.00 15.42 C ATOM 517 CD2 LEU A 37 -30.238 64.216 -26.106 1.00 54.35 C ATOM 0 H LEU A 37 -31.615 61.748 -28.193 1.00 12.51 H new ATOM 0 HA LEU A 37 -29.151 62.086 -29.804 1.00 71.24 H new ATOM 0 HB2 LEU A 37 -28.054 62.416 -27.529 1.00 41.34 H new ATOM 0 HB3 LEU A 37 -29.001 63.753 -28.153 1.00 41.34 H new ATOM 0 HG LEU A 37 -30.787 62.215 -26.596 1.00 11.11 H new ATOM 0 HD11 LEU A 37 -29.660 62.184 -24.405 1.00 15.42 H new ATOM 0 HD12 LEU A 37 -28.863 61.103 -25.573 1.00 15.42 H new ATOM 0 HD13 LEU A 37 -28.140 62.683 -25.185 1.00 15.42 H new ATOM 0 HD21 LEU A 37 -30.805 64.228 -25.175 1.00 54.35 H new ATOM 0 HD22 LEU A 37 -29.331 64.808 -25.986 1.00 54.35 H new ATOM 0 HD23 LEU A 37 -30.845 64.641 -26.906 1.00 54.35 H new ATOM 529 N LEU A 38 -28.125 59.931 -28.926 1.00 2.31 N ATOM 530 CA LEU A 38 -27.702 58.558 -28.677 1.00 63.32 C ATOM 531 C LEU A 38 -27.474 58.318 -27.188 1.00 70.02 C ATOM 532 O LEU A 38 -26.803 59.091 -26.506 1.00 53.21 O ATOM 533 CB LEU A 38 -26.422 58.247 -29.456 1.00 55.22 C ATOM 534 CG LEU A 38 -26.279 56.814 -29.970 1.00 62.51 C ATOM 535 CD1 LEU A 38 -27.223 56.569 -31.137 1.00 4.45 C ATOM 536 CD2 LEU A 38 -24.839 56.535 -30.377 1.00 73.23 C ATOM 0 H LEU A 38 -27.436 60.503 -29.415 1.00 2.31 H new ATOM 0 HA LEU A 38 -28.497 57.894 -29.016 1.00 63.32 H new ATOM 0 HB2 LEU A 38 -26.366 58.924 -30.308 1.00 55.22 H new ATOM 0 HB3 LEU A 38 -25.568 58.469 -28.816 1.00 55.22 H new ATOM 0 HG LEU A 38 -26.546 56.130 -29.164 1.00 62.51 H new ATOM 0 HD11 LEU A 38 -27.107 55.544 -31.490 1.00 4.45 H new ATOM 0 HD12 LEU A 38 -28.251 56.727 -30.812 1.00 4.45 H new ATOM 0 HD13 LEU A 38 -26.988 57.260 -31.947 1.00 4.45 H new ATOM 0 HD21 LEU A 38 -24.756 55.511 -30.740 1.00 73.23 H new ATOM 0 HD22 LEU A 38 -24.544 57.225 -31.167 1.00 73.23 H new ATOM 0 HD23 LEU A 38 -24.185 56.669 -29.515 1.00 73.23 H new ATOM 548 N PRO A 39 -28.045 57.220 -26.671 1.00 34.14 N ATOM 549 CA PRO A 39 -27.916 56.852 -25.258 1.00 34.53 C ATOM 550 C PRO A 39 -26.503 56.405 -24.902 1.00 24.52 C ATOM 551 O PRO A 39 -25.799 55.825 -25.728 1.00 15.22 O ATOM 552 CB PRO A 39 -28.900 55.689 -25.103 1.00 13.00 C ATOM 553 CG PRO A 39 -29.012 55.104 -26.468 1.00 74.23 C ATOM 554 CD PRO A 39 -28.859 56.252 -27.425 1.00 51.45 C ATOM 0 HA PRO A 39 -28.122 57.694 -24.597 1.00 34.53 H new ATOM 0 HB2 PRO A 39 -28.534 54.954 -24.386 1.00 13.00 H new ATOM 0 HB3 PRO A 39 -29.868 56.035 -24.740 1.00 13.00 H new ATOM 0 HG2 PRO A 39 -28.241 54.352 -26.635 1.00 74.23 H new ATOM 0 HG3 PRO A 39 -29.974 54.609 -26.603 1.00 74.23 H new ATOM 0 HD2 PRO A 39 -28.365 55.944 -28.346 1.00 51.45 H new ATOM 0 HD3 PRO A 39 -29.825 56.672 -27.706 1.00 51.45 H new ATOM 562 N GLU A 40 -26.095 56.676 -23.666 1.00 12.14 N ATOM 563 CA GLU A 40 -24.763 56.301 -23.202 1.00 75.42 C ATOM 564 C GLU A 40 -24.582 54.785 -23.237 1.00 53.51 C ATOM 565 O GLU A 40 -25.546 54.022 -23.302 1.00 10.32 O ATOM 566 CB GLU A 40 -24.530 56.821 -21.782 1.00 3.34 C ATOM 567 CG GLU A 40 -23.966 58.233 -21.736 1.00 61.54 C ATOM 568 CD GLU A 40 -22.936 58.485 -22.820 1.00 74.33 C ATOM 569 OE1 GLU A 40 -21.783 58.033 -22.660 1.00 12.32 O ATOM 570 OE2 GLU A 40 -23.283 59.134 -23.829 1.00 55.20 O ATOM 0 H GLU A 40 -26.666 57.153 -22.969 1.00 12.14 H new ATOM 0 HA GLU A 40 -24.031 56.752 -23.872 1.00 75.42 H new ATOM 0 HB2 GLU A 40 -25.473 56.797 -21.236 1.00 3.34 H new ATOM 0 HB3 GLU A 40 -23.846 56.148 -21.265 1.00 3.34 H new ATOM 0 HG2 GLU A 40 -24.781 58.949 -21.841 1.00 61.54 H new ATOM 0 HG3 GLU A 40 -23.512 58.407 -20.761 1.00 61.54 H new ATOM 577 N PRO A 41 -23.317 54.341 -23.193 1.00 61.54 N ATOM 578 CA PRO A 41 -22.980 52.915 -23.218 1.00 31.54 C ATOM 579 C PRO A 41 -23.380 52.201 -21.931 1.00 1.20 C ATOM 580 O PRO A 41 -23.021 51.045 -21.714 1.00 65.30 O ATOM 581 CB PRO A 41 -21.458 52.914 -23.379 1.00 50.31 C ATOM 582 CG PRO A 41 -21.017 54.220 -22.816 1.00 50.42 C ATOM 583 CD PRO A 41 -22.122 55.195 -23.115 1.00 64.21 C ATOM 0 HA PRO A 41 -23.507 52.386 -24.012 1.00 31.54 H new ATOM 0 HB2 PRO A 41 -21.004 52.079 -22.845 1.00 50.31 H new ATOM 0 HB3 PRO A 41 -21.171 52.817 -24.426 1.00 50.31 H new ATOM 0 HG2 PRO A 41 -20.844 54.144 -21.743 1.00 50.42 H new ATOM 0 HG3 PRO A 41 -20.079 54.543 -23.268 1.00 50.42 H new ATOM 0 HD2 PRO A 41 -22.216 55.948 -22.333 1.00 64.21 H new ATOM 0 HD3 PRO A 41 -21.946 55.727 -24.050 1.00 64.21 H new ATOM 591 N ASP A 42 -24.123 52.898 -21.080 1.00 73.14 N ATOM 592 CA ASP A 42 -24.575 52.330 -19.815 1.00 0.42 C ATOM 593 C ASP A 42 -25.943 52.881 -19.428 1.00 61.35 C ATOM 594 O ASP A 42 -26.056 54.006 -18.943 1.00 12.53 O ATOM 595 CB ASP A 42 -23.561 52.629 -18.708 1.00 5.11 C ATOM 596 CG ASP A 42 -23.352 54.116 -18.501 1.00 34.32 C ATOM 597 OD1 ASP A 42 -23.242 54.846 -19.506 1.00 73.23 O ATOM 598 OD2 ASP A 42 -23.298 54.549 -17.329 1.00 10.23 O ATOM 0 H ASP A 42 -24.426 53.858 -21.243 1.00 73.14 H new ATOM 0 HA ASP A 42 -24.661 51.251 -19.940 1.00 0.42 H new ATOM 0 HB2 ASP A 42 -23.902 52.180 -17.775 1.00 5.11 H new ATOM 0 HB3 ASP A 42 -22.608 52.162 -18.956 1.00 5.11 H new ATOM 603 N GLN A 43 -26.980 52.080 -19.649 1.00 32.23 N ATOM 604 CA GLN A 43 -28.343 52.489 -19.324 1.00 62.43 C ATOM 605 C GLN A 43 -28.447 52.932 -17.869 1.00 4.31 C ATOM 606 O GLN A 43 -29.337 53.701 -17.508 1.00 34.22 O ATOM 607 CB GLN A 43 -29.319 51.340 -19.592 1.00 13.22 C ATOM 608 CG GLN A 43 -29.278 50.250 -18.534 1.00 25.32 C ATOM 609 CD GLN A 43 -29.970 48.978 -18.981 1.00 65.31 C ATOM 610 OE1 GLN A 43 -29.502 48.288 -19.889 1.00 1.24 O ATOM 611 NE2 GLN A 43 -31.092 48.659 -18.346 1.00 65.43 N ATOM 0 H GLN A 43 -26.904 51.146 -20.051 1.00 32.23 H new ATOM 0 HA GLN A 43 -28.604 53.335 -19.960 1.00 62.43 H new ATOM 0 HB2 GLN A 43 -30.331 51.740 -19.651 1.00 13.22 H new ATOM 0 HB3 GLN A 43 -29.093 50.901 -20.564 1.00 13.22 H new ATOM 0 HG2 GLN A 43 -28.240 50.027 -18.287 1.00 25.32 H new ATOM 0 HG3 GLN A 43 -29.751 50.616 -17.622 1.00 25.32 H new ATOM 0 HE21 GLN A 43 -31.444 49.259 -17.600 1.00 65.43 H new ATOM 0 HE22 GLN A 43 -31.602 47.814 -18.604 1.00 65.43 H new ATOM 620 N ARG A 44 -27.532 52.441 -17.039 1.00 45.15 N ATOM 621 CA ARG A 44 -27.522 52.787 -15.624 1.00 75.22 C ATOM 622 C ARG A 44 -27.975 54.228 -15.411 1.00 11.10 C ATOM 623 O ARG A 44 -28.862 54.499 -14.602 1.00 24.21 O ATOM 624 CB ARG A 44 -26.122 52.590 -15.038 1.00 24.31 C ATOM 625 CG ARG A 44 -25.673 51.137 -15.009 1.00 0.42 C ATOM 626 CD ARG A 44 -24.332 50.954 -15.701 1.00 41.03 C ATOM 627 NE ARG A 44 -23.494 49.972 -15.021 1.00 1.54 N ATOM 628 CZ ARG A 44 -22.698 50.266 -13.999 1.00 14.11 C ATOM 629 NH1 ARG A 44 -22.636 51.510 -13.540 1.00 43.43 N ATOM 630 NH2 ARG A 44 -21.965 49.318 -13.430 1.00 63.24 N ATOM 0 H ARG A 44 -26.789 51.803 -17.323 1.00 45.15 H new ATOM 0 HA ARG A 44 -28.220 52.126 -15.111 1.00 75.22 H new ATOM 0 HB2 ARG A 44 -25.408 53.171 -15.622 1.00 24.31 H new ATOM 0 HB3 ARG A 44 -26.103 52.988 -14.023 1.00 24.31 H new ATOM 0 HG2 ARG A 44 -25.599 50.798 -13.976 1.00 0.42 H new ATOM 0 HG3 ARG A 44 -26.423 50.514 -15.496 1.00 0.42 H new ATOM 0 HD2 ARG A 44 -24.496 50.639 -16.731 1.00 41.03 H new ATOM 0 HD3 ARG A 44 -23.811 51.910 -15.740 1.00 41.03 H new ATOM 0 HE ARG A 44 -23.521 49.006 -15.349 1.00 1.54 H new ATOM 0 HH11 ARG A 44 -23.200 52.242 -13.972 1.00 43.43 H new ATOM 0 HH12 ARG A 44 -22.024 51.734 -12.755 1.00 43.43 H new ATOM 0 HH21 ARG A 44 -22.012 48.360 -13.777 1.00 63.24 H new ATOM 0 HH22 ARG A 44 -21.355 49.547 -12.645 1.00 63.24 H new ATOM 644 N LYS A 45 -27.360 55.150 -16.144 1.00 32.21 N ATOM 645 CA LYS A 45 -27.699 56.564 -16.038 1.00 50.44 C ATOM 646 C LYS A 45 -27.634 57.243 -17.403 1.00 23.14 C ATOM 647 O LYS A 45 -26.551 57.551 -17.902 1.00 74.02 O ATOM 648 CB LYS A 45 -26.752 57.264 -15.062 1.00 15.03 C ATOM 649 CG LYS A 45 -27.256 58.620 -14.593 1.00 24.15 C ATOM 650 CD LYS A 45 -26.959 58.845 -13.120 1.00 30.55 C ATOM 651 CE LYS A 45 -28.201 58.639 -12.264 1.00 30.02 C ATOM 652 NZ LYS A 45 -28.287 59.637 -11.164 1.00 53.21 N ATOM 0 H LYS A 45 -26.623 54.943 -16.819 1.00 32.21 H new ATOM 0 HA LYS A 45 -28.719 56.641 -15.662 1.00 50.44 H new ATOM 0 HB2 LYS A 45 -26.599 56.623 -14.194 1.00 15.03 H new ATOM 0 HB3 LYS A 45 -25.781 57.392 -15.540 1.00 15.03 H new ATOM 0 HG2 LYS A 45 -26.788 59.407 -15.184 1.00 24.15 H new ATOM 0 HG3 LYS A 45 -28.330 58.689 -14.763 1.00 24.15 H new ATOM 0 HD2 LYS A 45 -26.175 58.160 -12.797 1.00 30.55 H new ATOM 0 HD3 LYS A 45 -26.579 59.856 -12.974 1.00 30.55 H new ATOM 0 HE2 LYS A 45 -29.090 58.711 -12.890 1.00 30.02 H new ATOM 0 HE3 LYS A 45 -28.189 57.634 -11.842 1.00 30.02 H new ATOM 0 HZ1 LYS A 45 -29.146 59.463 -10.604 1.00 53.21 H new ATOM 0 HZ2 LYS A 45 -27.451 59.551 -10.551 1.00 53.21 H new ATOM 0 HZ3 LYS A 45 -28.324 60.595 -11.567 1.00 53.21 H new ATOM 666 N VAL A 46 -28.798 57.474 -18.001 1.00 32.14 N ATOM 667 CA VAL A 46 -28.873 58.119 -19.306 1.00 31.01 C ATOM 668 C VAL A 46 -29.606 59.454 -19.219 1.00 22.31 C ATOM 669 O VAL A 46 -30.814 59.497 -18.989 1.00 35.35 O ATOM 670 CB VAL A 46 -29.585 57.221 -20.335 1.00 42.43 C ATOM 671 CG1 VAL A 46 -30.166 58.060 -21.463 1.00 62.15 C ATOM 672 CG2 VAL A 46 -28.627 56.172 -20.879 1.00 61.23 C ATOM 0 H VAL A 46 -29.703 57.224 -17.602 1.00 32.14 H new ATOM 0 HA VAL A 46 -27.848 58.292 -19.633 1.00 31.01 H new ATOM 0 HB VAL A 46 -30.406 56.706 -19.836 1.00 42.43 H new ATOM 0 HG11 VAL A 46 -30.665 57.409 -22.181 1.00 62.15 H new ATOM 0 HG12 VAL A 46 -30.886 58.770 -21.055 1.00 62.15 H new ATOM 0 HG13 VAL A 46 -29.364 58.603 -21.963 1.00 62.15 H new ATOM 0 HG21 VAL A 46 -29.147 55.546 -21.605 1.00 61.23 H new ATOM 0 HG22 VAL A 46 -27.784 56.665 -21.363 1.00 61.23 H new ATOM 0 HG23 VAL A 46 -28.263 55.552 -20.060 1.00 61.23 H new ATOM 682 N THR A 47 -28.865 60.542 -19.405 1.00 74.02 N ATOM 683 CA THR A 47 -29.445 61.878 -19.346 1.00 22.41 C ATOM 684 C THR A 47 -29.844 62.365 -20.735 1.00 54.12 C ATOM 685 O THR A 47 -29.064 62.213 -21.673 1.00 73.30 O ATOM 686 CB THR A 47 -28.464 62.889 -18.723 1.00 3.44 C ATOM 687 OG1 THR A 47 -28.132 62.491 -17.388 1.00 34.11 O ATOM 688 CG2 THR A 47 -29.063 64.287 -18.707 1.00 4.12 C ATOM 0 H THR A 47 -27.863 60.524 -19.597 1.00 74.02 H new ATOM 0 HA THR A 47 -30.333 61.810 -18.718 1.00 22.41 H new ATOM 0 HB THR A 47 -27.560 62.906 -19.332 1.00 3.44 H new ATOM 0 HG1 THR A 47 -27.507 63.138 -17.000 1.00 34.11 H new ATOM 0 HG21 THR A 47 -28.351 64.983 -18.262 1.00 4.12 H new ATOM 0 HG22 THR A 47 -29.286 64.599 -19.727 1.00 4.12 H new ATOM 0 HG23 THR A 47 -29.981 64.283 -18.120 1.00 4.12 H new ATOM 696 N CYS A 48 -31.037 62.934 -20.835 1.00 23.45 N ATOM 697 CA CYS A 48 -31.522 63.437 -22.108 1.00 71.14 C ATOM 698 C CYS A 48 -30.861 64.790 -22.375 1.00 54.44 C ATOM 699 O CYS A 48 -30.810 65.280 -23.502 1.00 45.21 O ATOM 700 CB CYS A 48 -33.049 63.532 -22.135 1.00 32.11 C ATOM 701 SG CYS A 48 -33.563 65.176 -22.751 1.00 11.23 S ATOM 0 H CYS A 48 -31.682 63.057 -20.054 1.00 23.45 H new ATOM 0 HA CYS A 48 -31.253 62.740 -22.902 1.00 71.14 H new ATOM 0 HB2 CYS A 48 -33.459 62.750 -22.775 1.00 32.11 H new ATOM 0 HB3 CYS A 48 -33.450 63.368 -21.135 1.00 32.11 H new ATOM 0 HG CYS A 48 -32.662 65.634 -23.569 1.00 11.23 H new ATOM 706 N GLU A 49 -30.352 65.388 -21.302 1.00 3.14 N ATOM 707 CA GLU A 49 -29.690 66.684 -21.392 1.00 53.15 C ATOM 708 C GLU A 49 -28.346 66.560 -22.103 1.00 43.24 C ATOM 709 O GLU A 49 -27.655 65.549 -21.977 1.00 52.14 O ATOM 710 CB GLU A 49 -29.488 67.276 -19.996 1.00 22.21 C ATOM 711 CG GLU A 49 -28.067 67.749 -19.736 1.00 55.44 C ATOM 712 CD GLU A 49 -27.977 68.702 -18.560 1.00 14.52 C ATOM 713 OE1 GLU A 49 -28.055 68.229 -17.406 1.00 1.51 O ATOM 714 OE2 GLU A 49 -27.829 69.920 -18.791 1.00 12.43 O ATOM 0 H GLU A 49 -30.386 64.996 -20.361 1.00 3.14 H new ATOM 0 HA GLU A 49 -30.328 67.350 -21.972 1.00 53.15 H new ATOM 0 HB2 GLU A 49 -30.171 68.115 -19.864 1.00 22.21 H new ATOM 0 HB3 GLU A 49 -29.755 66.527 -19.251 1.00 22.21 H new ATOM 0 HG2 GLU A 49 -27.429 66.885 -19.549 1.00 55.44 H new ATOM 0 HG3 GLU A 49 -27.683 68.242 -20.629 1.00 55.44 H new ATOM 775 N GLY A 55 -32.304 70.039 -22.240 1.00 65.13 N ATOM 776 CA GLY A 55 -32.161 69.417 -20.936 1.00 24.23 C ATOM 777 C GLY A 55 -33.487 69.264 -20.217 1.00 63.25 C ATOM 778 O GLY A 55 -34.175 70.263 -20.013 1.00 30.24 O ATOM 0 HA2 GLY A 55 -31.700 68.436 -21.053 1.00 24.23 H new ATOM 0 HA3 GLY A 55 -31.486 70.015 -20.324 1.00 24.23 H new ATOM 782 N CYS A 56 -33.821 68.034 -19.855 1.00 31.14 N ATOM 783 CA CYS A 56 -35.071 67.773 -19.162 1.00 0.24 C ATOM 784 C CYS A 56 -34.796 67.778 -17.657 1.00 44.04 C ATOM 785 O CYS A 56 -35.425 68.494 -16.880 1.00 15.21 O ATOM 786 CB CYS A 56 -35.707 66.460 -19.621 1.00 74.33 C ATOM 787 SG CYS A 56 -36.634 66.724 -21.178 1.00 50.02 S ATOM 0 H CYS A 56 -33.248 67.208 -20.028 1.00 31.14 H new ATOM 0 HA CYS A 56 -35.793 68.554 -19.401 1.00 0.24 H new ATOM 0 HB2 CYS A 56 -34.935 65.705 -19.771 1.00 74.33 H new ATOM 0 HB3 CYS A 56 -36.377 66.081 -18.849 1.00 74.33 H new ATOM 0 HG CYS A 56 -36.709 65.604 -21.833 1.00 50.02 H new ATOM 792 N GLY A 57 -33.830 66.953 -17.259 1.00 53.25 N ATOM 793 CA GLY A 57 -33.467 66.859 -15.858 1.00 32.30 C ATOM 794 C GLY A 57 -33.736 65.482 -15.281 1.00 31.14 C ATOM 795 O GLY A 57 -33.343 65.187 -14.152 1.00 21.51 O ATOM 0 H GLY A 57 -33.294 66.349 -17.882 1.00 53.25 H new ATOM 0 HA2 GLY A 57 -32.410 67.098 -15.743 1.00 32.30 H new ATOM 0 HA3 GLY A 57 -34.026 67.603 -15.290 1.00 32.30 H new ATOM 799 N PHE A 58 -34.410 64.639 -16.057 1.00 13.43 N ATOM 800 CA PHE A 58 -34.733 63.287 -15.614 1.00 53.02 C ATOM 801 C PHE A 58 -34.141 62.248 -16.563 1.00 55.41 C ATOM 802 O PHE A 58 -34.485 62.203 -17.742 1.00 45.22 O ATOM 803 CB PHE A 58 -36.250 63.107 -15.527 1.00 34.33 C ATOM 804 CG PHE A 58 -36.664 61.786 -14.942 1.00 72.12 C ATOM 805 CD1 PHE A 58 -36.804 60.670 -15.751 1.00 62.33 C ATOM 806 CD2 PHE A 58 -36.913 61.661 -13.585 1.00 54.21 C ATOM 807 CE1 PHE A 58 -37.184 59.454 -15.218 1.00 23.31 C ATOM 808 CE2 PHE A 58 -37.293 60.447 -13.046 1.00 25.35 C ATOM 809 CZ PHE A 58 -37.430 59.341 -13.863 1.00 43.42 C ATOM 0 H PHE A 58 -34.743 64.867 -16.994 1.00 13.43 H new ATOM 0 HA PHE A 58 -34.298 63.141 -14.625 1.00 53.02 H new ATOM 0 HB2 PHE A 58 -36.669 63.911 -14.922 1.00 34.33 H new ATOM 0 HB3 PHE A 58 -36.677 63.203 -16.525 1.00 34.33 H new ATOM 0 HD1 PHE A 58 -36.614 60.752 -16.811 1.00 62.33 H new ATOM 0 HD2 PHE A 58 -36.809 62.522 -12.941 1.00 54.21 H new ATOM 0 HE1 PHE A 58 -37.289 58.592 -15.860 1.00 23.31 H new ATOM 0 HE2 PHE A 58 -37.483 60.362 -11.986 1.00 25.35 H new ATOM 0 HZ PHE A 58 -37.728 58.391 -13.444 1.00 43.42 H new ATOM 819 N ALA A 59 -33.249 61.417 -16.036 1.00 63.01 N ATOM 820 CA ALA A 59 -32.609 60.379 -16.833 1.00 2.14 C ATOM 821 C ALA A 59 -33.585 59.252 -17.153 1.00 74.42 C ATOM 822 O ALA A 59 -34.577 59.057 -16.448 1.00 40.52 O ATOM 823 CB ALA A 59 -31.389 59.832 -16.107 1.00 21.22 C ATOM 0 H ALA A 59 -32.953 61.442 -15.060 1.00 63.01 H new ATOM 0 HA ALA A 59 -32.288 60.825 -17.774 1.00 2.14 H new ATOM 0 HB1 ALA A 59 -30.921 59.057 -16.714 1.00 21.22 H new ATOM 0 HB2 ALA A 59 -30.676 60.638 -15.935 1.00 21.22 H new ATOM 0 HB3 ALA A 59 -31.695 59.408 -15.151 1.00 21.22 H new ATOM 829 N PHE A 60 -33.301 58.512 -18.220 1.00 12.12 N ATOM 830 CA PHE A 60 -34.155 57.406 -18.634 1.00 34.42 C ATOM 831 C PHE A 60 -33.343 56.125 -18.802 1.00 21.45 C ATOM 832 O PHE A 60 -32.129 56.151 -18.608 1.00 61.33 O ATOM 833 CB PHE A 60 -34.870 57.746 -19.942 1.00 10.52 C ATOM 834 CG PHE A 60 -33.966 58.350 -20.979 1.00 72.14 C ATOM 835 CD1 PHE A 60 -33.429 59.615 -20.797 1.00 23.50 C ATOM 836 CD2 PHE A 60 -33.653 57.654 -22.135 1.00 74.41 C ATOM 837 CE1 PHE A 60 -32.596 60.172 -21.749 1.00 11.10 C ATOM 838 CE2 PHE A 60 -32.822 58.206 -23.090 1.00 31.03 C ATOM 839 CZ PHE A 60 -32.294 59.468 -22.898 1.00 42.23 C ATOM 0 H PHE A 60 -32.485 58.659 -18.814 1.00 12.12 H new ATOM 0 HA PHE A 60 -34.899 57.244 -17.854 1.00 34.42 H new ATOM 0 HB2 PHE A 60 -35.320 56.840 -20.347 1.00 10.52 H new ATOM 0 HB3 PHE A 60 -35.684 58.440 -19.732 1.00 10.52 H new ATOM 0 HD1 PHE A 60 -33.664 60.171 -19.902 1.00 23.50 H new ATOM 0 HD2 PHE A 60 -34.064 56.668 -22.291 1.00 74.41 H new ATOM 0 HE1 PHE A 60 -32.182 61.157 -21.594 1.00 11.10 H new ATOM 0 HE2 PHE A 60 -32.585 57.652 -23.986 1.00 31.03 H new ATOM 0 HZ PHE A 60 -31.646 59.903 -23.645 1.00 42.23 H new ATOM 849 N CYS A 61 -34.023 55.044 -19.157 1.00 55.11 N ATOM 850 CA CYS A 61 -33.355 53.769 -19.347 1.00 63.33 C ATOM 851 C CYS A 61 -33.208 53.523 -20.850 1.00 20.43 C ATOM 852 O CYS A 61 -34.185 53.428 -21.595 1.00 5.44 O ATOM 853 CB CYS A 61 -34.104 52.629 -18.653 1.00 31.12 C ATOM 854 SG CYS A 61 -33.634 51.025 -19.400 1.00 61.41 S ATOM 0 H CYS A 61 -35.030 55.026 -19.318 1.00 55.11 H new ATOM 0 HA CYS A 61 -32.368 53.801 -18.887 1.00 63.33 H new ATOM 0 HB2 CYS A 61 -33.872 52.626 -17.588 1.00 31.12 H new ATOM 0 HB3 CYS A 61 -35.180 52.781 -18.744 1.00 31.12 H new ATOM 0 HG CYS A 61 -34.676 50.485 -19.959 1.00 61.41 H new ATOM 859 N ARG A 62 -31.955 53.421 -21.282 1.00 62.52 N ATOM 860 CA ARG A 62 -31.649 53.187 -22.688 1.00 25.15 C ATOM 861 C ARG A 62 -32.157 51.820 -23.136 1.00 63.44 C ATOM 862 O ARG A 62 -32.771 51.693 -24.196 1.00 31.44 O ATOM 863 CB ARG A 62 -30.142 53.285 -22.927 1.00 2.44 C ATOM 864 CG ARG A 62 -29.650 52.427 -24.081 1.00 23.43 C ATOM 865 CD ARG A 62 -28.132 52.423 -24.166 1.00 4.35 C ATOM 866 NE ARG A 62 -27.600 51.083 -24.403 1.00 44.14 N ATOM 867 CZ ARG A 62 -26.416 50.851 -24.960 1.00 12.35 C ATOM 868 NH1 ARG A 62 -25.645 51.863 -25.332 1.00 23.11 N ATOM 869 NH2 ARG A 62 -26.001 49.604 -25.142 1.00 44.13 N ATOM 0 H ARG A 62 -31.136 53.497 -20.679 1.00 62.52 H new ATOM 0 HA ARG A 62 -32.154 53.954 -23.275 1.00 25.15 H new ATOM 0 HB2 ARG A 62 -29.881 54.325 -23.122 1.00 2.44 H new ATOM 0 HB3 ARG A 62 -29.619 52.990 -22.017 1.00 2.44 H new ATOM 0 HG2 ARG A 62 -30.011 51.406 -23.956 1.00 23.43 H new ATOM 0 HG3 ARG A 62 -30.067 52.800 -25.016 1.00 23.43 H new ATOM 0 HD2 ARG A 62 -27.812 53.087 -24.969 1.00 4.35 H new ATOM 0 HD3 ARG A 62 -27.716 52.819 -23.240 1.00 4.35 H new ATOM 0 HE ARG A 62 -28.168 50.282 -24.126 1.00 44.14 H new ATOM 0 HH11 ARG A 62 -25.960 52.823 -25.191 1.00 23.11 H new ATOM 0 HH12 ARG A 62 -24.737 51.682 -25.759 1.00 23.11 H new ATOM 0 HH21 ARG A 62 -26.591 48.823 -24.854 1.00 44.13 H new ATOM 0 HH22 ARG A 62 -25.092 49.426 -25.570 1.00 44.13 H new ATOM 883 N GLU A 63 -31.898 50.801 -22.323 1.00 54.21 N ATOM 884 CA GLU A 63 -32.328 49.445 -22.637 1.00 33.53 C ATOM 885 C GLU A 63 -33.709 49.448 -23.289 1.00 1.15 C ATOM 886 O GLU A 63 -33.894 48.790 -24.310 1.00 33.43 O ATOM 887 CB GLU A 63 -32.353 48.588 -21.370 1.00 31.13 C ATOM 888 CG GLU A 63 -32.454 47.097 -21.645 1.00 1.35 C ATOM 889 CD GLU A 63 -31.134 46.494 -22.087 1.00 60.12 C ATOM 890 OE1 GLU A 63 -30.269 47.253 -22.571 1.00 53.00 O ATOM 891 OE2 GLU A 63 -30.967 45.265 -21.949 1.00 62.42 O ATOM 0 H GLU A 63 -31.392 50.890 -21.442 1.00 54.21 H new ATOM 0 HA GLU A 63 -31.614 49.019 -23.342 1.00 33.53 H new ATOM 0 HB2 GLU A 63 -31.449 48.782 -20.793 1.00 31.13 H new ATOM 0 HB3 GLU A 63 -33.198 48.893 -20.752 1.00 31.13 H new ATOM 0 HG2 GLU A 63 -32.798 46.588 -20.745 1.00 1.35 H new ATOM 0 HG3 GLU A 63 -33.205 46.924 -22.416 1.00 1.35 H new ATOM 898 N CYS A 64 -34.634 50.183 -22.688 1.00 60.23 N ATOM 899 CA CYS A 64 -35.985 50.262 -23.218 1.00 64.05 C ATOM 900 C CYS A 64 -36.239 51.701 -23.672 1.00 42.22 C ATOM 901 O CYS A 64 -37.330 52.063 -24.116 1.00 42.21 O ATOM 902 CB CYS A 64 -37.023 49.793 -22.196 1.00 52.11 C ATOM 903 SG CYS A 64 -36.963 50.861 -20.711 1.00 12.32 S ATOM 0 H CYS A 64 -34.475 50.728 -21.841 1.00 60.23 H new ATOM 0 HA CYS A 64 -36.084 49.590 -24.071 1.00 64.05 H new ATOM 0 HB2 CYS A 64 -38.019 49.824 -22.637 1.00 52.11 H new ATOM 0 HB3 CYS A 64 -36.830 48.757 -21.918 1.00 52.11 H new ATOM 0 HG CYS A 64 -38.100 50.797 -20.084 1.00 12.32 H new ATOM 908 N LYS A 65 -35.201 52.520 -23.550 1.00 42.13 N ATOM 909 CA LYS A 65 -35.282 53.922 -23.940 1.00 54.13 C ATOM 910 C LYS A 65 -36.563 54.561 -23.413 1.00 22.53 C ATOM 911 O LYS A 65 -37.179 55.386 -24.086 1.00 65.43 O ATOM 912 CB LYS A 65 -35.224 54.053 -25.464 1.00 15.10 C ATOM 913 CG LYS A 65 -35.880 52.898 -26.200 1.00 52.31 C ATOM 914 CD LYS A 65 -35.621 52.969 -27.694 1.00 40.32 C ATOM 915 CE LYS A 65 -36.479 54.036 -28.358 1.00 44.14 C ATOM 916 NZ LYS A 65 -37.628 53.443 -29.097 1.00 1.21 N ATOM 0 H LYS A 65 -34.292 52.237 -23.184 1.00 42.13 H new ATOM 0 HA LYS A 65 -34.430 54.444 -23.503 1.00 54.13 H new ATOM 0 HB2 LYS A 65 -35.710 54.983 -25.759 1.00 15.10 H new ATOM 0 HB3 LYS A 65 -34.182 54.125 -25.774 1.00 15.10 H new ATOM 0 HG2 LYS A 65 -35.501 51.954 -25.809 1.00 52.31 H new ATOM 0 HG3 LYS A 65 -36.954 52.911 -26.015 1.00 52.31 H new ATOM 0 HD2 LYS A 65 -34.568 53.185 -27.872 1.00 40.32 H new ATOM 0 HD3 LYS A 65 -35.829 52.000 -28.147 1.00 40.32 H new ATOM 0 HE2 LYS A 65 -36.851 54.726 -27.601 1.00 44.14 H new ATOM 0 HE3 LYS A 65 -35.866 54.618 -29.046 1.00 44.14 H new ATOM 0 HZ1 LYS A 65 -38.188 54.202 -29.535 1.00 1.21 H new ATOM 0 HZ2 LYS A 65 -37.273 52.804 -29.837 1.00 1.21 H new ATOM 0 HZ3 LYS A 65 -38.227 52.908 -28.436 1.00 1.21 H new ATOM 930 N GLU A 66 -36.958 54.174 -22.203 1.00 23.20 N ATOM 931 CA GLU A 66 -38.166 54.709 -21.587 1.00 41.43 C ATOM 932 C GLU A 66 -37.860 55.303 -20.216 1.00 33.05 C ATOM 933 O GLU A 66 -36.719 55.270 -19.754 1.00 62.23 O ATOM 934 CB GLU A 66 -39.226 53.614 -21.457 1.00 53.31 C ATOM 935 CG GLU A 66 -39.342 53.044 -20.054 1.00 75.41 C ATOM 936 CD GLU A 66 -40.199 51.794 -20.000 1.00 2.43 C ATOM 937 OE1 GLU A 66 -41.429 51.909 -20.171 1.00 34.41 O ATOM 938 OE2 GLU A 66 -39.635 50.699 -19.789 1.00 4.54 O ATOM 0 H GLU A 66 -36.459 53.493 -21.631 1.00 23.20 H new ATOM 0 HA GLU A 66 -38.550 55.502 -22.229 1.00 41.43 H new ATOM 0 HB2 GLU A 66 -40.193 54.018 -21.757 1.00 53.31 H new ATOM 0 HB3 GLU A 66 -38.989 52.807 -22.150 1.00 53.31 H new ATOM 0 HG2 GLU A 66 -38.346 52.813 -19.676 1.00 75.41 H new ATOM 0 HG3 GLU A 66 -39.767 53.800 -19.393 1.00 75.41 H new ATOM 945 N ALA A 67 -38.886 55.846 -19.569 1.00 11.10 N ATOM 946 CA ALA A 67 -38.727 56.444 -18.250 1.00 54.33 C ATOM 947 C ALA A 67 -38.038 55.483 -17.288 1.00 65.54 C ATOM 948 O ALA A 67 -38.385 54.304 -17.219 1.00 64.54 O ATOM 949 CB ALA A 67 -40.079 56.867 -17.696 1.00 73.44 C ATOM 0 H ALA A 67 -39.836 55.884 -19.937 1.00 11.10 H new ATOM 0 HA ALA A 67 -38.095 57.326 -18.354 1.00 54.33 H new ATOM 0 HB1 ALA A 67 -39.945 57.312 -16.710 1.00 73.44 H new ATOM 0 HB2 ALA A 67 -40.534 57.597 -18.365 1.00 73.44 H new ATOM 0 HB3 ALA A 67 -40.728 55.995 -17.615 1.00 73.44 H new ATOM 955 N TYR A 68 -37.059 55.991 -16.549 1.00 51.43 N ATOM 956 CA TYR A 68 -36.318 55.176 -15.593 1.00 63.14 C ATOM 957 C TYR A 68 -37.268 54.437 -14.657 1.00 54.32 C ATOM 958 O TYR A 68 -38.140 55.044 -14.032 1.00 71.23 O ATOM 959 CB TYR A 68 -35.360 56.048 -14.783 1.00 4.12 C ATOM 960 CG TYR A 68 -34.087 55.338 -14.381 1.00 11.14 C ATOM 961 CD1 TYR A 68 -33.032 55.203 -15.276 1.00 0.05 C ATOM 962 CD2 TYR A 68 -33.939 54.799 -13.109 1.00 53.40 C ATOM 963 CE1 TYR A 68 -31.866 54.553 -14.914 1.00 71.23 C ATOM 964 CE2 TYR A 68 -32.777 54.150 -12.738 1.00 55.14 C ATOM 965 CZ TYR A 68 -31.745 54.029 -13.644 1.00 52.31 C ATOM 966 OH TYR A 68 -30.587 53.381 -13.279 1.00 40.42 O ATOM 0 H TYR A 68 -36.759 56.965 -16.593 1.00 51.43 H new ATOM 0 HA TYR A 68 -35.742 54.439 -16.152 1.00 63.14 H new ATOM 0 HB2 TYR A 68 -35.104 56.932 -15.368 1.00 4.12 H new ATOM 0 HB3 TYR A 68 -35.870 56.397 -13.885 1.00 4.12 H new ATOM 0 HD1 TYR A 68 -33.124 55.613 -16.271 1.00 0.05 H new ATOM 0 HD2 TYR A 68 -34.747 54.889 -12.398 1.00 53.40 H new ATOM 0 HE1 TYR A 68 -31.056 54.456 -15.621 1.00 71.23 H new ATOM 0 HE2 TYR A 68 -32.678 53.740 -11.744 1.00 55.14 H new ATOM 0 HH TYR A 68 -29.934 53.444 -14.007 1.00 40.42 H new ATOM 976 N HIS A 69 -37.093 53.122 -14.563 1.00 15.54 N ATOM 977 CA HIS A 69 -37.933 52.300 -13.700 1.00 73.41 C ATOM 978 C HIS A 69 -37.100 51.627 -12.611 1.00 43.12 C ATOM 979 O HIS A 69 -37.536 50.654 -11.997 1.00 42.55 O ATOM 980 CB HIS A 69 -38.666 51.242 -14.524 1.00 42.32 C ATOM 981 CG HIS A 69 -37.858 50.711 -15.669 1.00 62.11 C ATOM 982 ND1 HIS A 69 -38.416 50.332 -16.872 1.00 21.03 N ATOM 983 CD2 HIS A 69 -36.527 50.497 -15.790 1.00 34.23 C ATOM 984 CE1 HIS A 69 -37.463 49.906 -17.682 1.00 41.12 C ATOM 985 NE2 HIS A 69 -36.306 49.997 -17.049 1.00 32.22 N ATOM 0 H HIS A 69 -36.378 52.604 -15.073 1.00 15.54 H new ATOM 0 HA HIS A 69 -38.666 52.950 -13.223 1.00 73.41 H new ATOM 0 HB2 HIS A 69 -38.945 50.414 -13.872 1.00 42.32 H new ATOM 0 HB3 HIS A 69 -39.591 51.670 -14.910 1.00 42.32 H new ATOM 0 HD2 HIS A 69 -35.777 50.685 -15.035 1.00 34.23 H new ATOM 0 HE1 HIS A 69 -37.605 49.545 -18.690 1.00 41.12 H new ATOM 0 HE2 HIS A 69 -35.397 49.738 -17.433 1.00 32.22 H new ATOM 993 N GLU A 70 -35.901 52.153 -12.381 1.00 30.34 N ATOM 994 CA GLU A 70 -35.008 51.600 -11.369 1.00 53.41 C ATOM 995 C GLU A 70 -34.513 50.216 -11.777 1.00 52.24 C ATOM 996 O GLU A 70 -34.546 49.275 -10.985 1.00 12.13 O ATOM 997 CB GLU A 70 -35.721 51.521 -10.017 1.00 10.31 C ATOM 998 CG GLU A 70 -36.072 52.880 -9.433 1.00 2.53 C ATOM 999 CD GLU A 70 -36.184 52.854 -7.922 1.00 34.10 C ATOM 1000 OE1 GLU A 70 -37.261 52.477 -7.413 1.00 42.21 O ATOM 1001 OE2 GLU A 70 -35.196 53.209 -7.246 1.00 75.43 O ATOM 0 H GLU A 70 -35.526 52.960 -12.880 1.00 30.34 H new ATOM 0 HA GLU A 70 -34.147 52.262 -11.280 1.00 53.41 H new ATOM 0 HB2 GLU A 70 -36.634 50.937 -10.131 1.00 10.31 H new ATOM 0 HB3 GLU A 70 -35.086 50.985 -9.312 1.00 10.31 H new ATOM 0 HG2 GLU A 70 -35.311 53.604 -9.725 1.00 2.53 H new ATOM 0 HG3 GLU A 70 -37.016 53.221 -9.858 1.00 2.53 H new ATOM 1008 N GLY A 71 -34.053 50.101 -13.019 1.00 65.02 N ATOM 1009 CA GLY A 71 -33.558 48.829 -13.511 1.00 64.42 C ATOM 1010 C GLY A 71 -34.646 47.778 -13.601 1.00 23.21 C ATOM 1011 O GLY A 71 -34.908 47.063 -12.633 1.00 45.40 O ATOM 0 H GLY A 71 -34.014 50.866 -13.693 1.00 65.02 H new ATOM 0 HA2 GLY A 71 -33.113 48.972 -14.496 1.00 64.42 H new ATOM 0 HA3 GLY A 71 -32.766 48.472 -12.853 1.00 64.42 H new ATOM 1015 N GLU A 72 -35.283 47.686 -14.763 1.00 25.42 N ATOM 1016 CA GLU A 72 -36.351 46.715 -14.972 1.00 43.14 C ATOM 1017 C GLU A 72 -37.255 47.141 -16.127 1.00 62.13 C ATOM 1018 O GLU A 72 -38.033 48.081 -15.967 1.00 60.41 O ATOM 1019 CB GLU A 72 -37.179 46.550 -13.697 1.00 22.23 C ATOM 1020 CG GLU A 72 -36.822 45.310 -12.895 1.00 53.13 C ATOM 1021 CD GLU A 72 -37.098 45.473 -11.413 1.00 64.45 C ATOM 1022 OE1 GLU A 72 -37.454 46.595 -10.998 1.00 33.24 O ATOM 1023 OE2 GLU A 72 -36.957 44.480 -10.669 1.00 44.13 O ATOM 0 H GLU A 72 -35.079 48.271 -15.573 1.00 25.42 H new ATOM 0 HA GLU A 72 -35.893 45.759 -15.224 1.00 43.14 H new ATOM 0 HB2 GLU A 72 -37.042 47.430 -13.069 1.00 22.23 H new ATOM 0 HB3 GLU A 72 -38.235 46.509 -13.963 1.00 22.23 H new ATOM 0 HG2 GLU A 72 -37.390 44.461 -13.275 1.00 53.13 H new ATOM 0 HG3 GLU A 72 -35.767 45.079 -13.041 1.00 53.13 H new ATOM 1030 N CYS A 73 -37.133 46.450 -17.250 1.00 13.12 N ATOM 1031 CA CYS A 73 -37.942 46.767 -18.415 1.00 62.23 C ATOM 1032 C CYS A 73 -39.111 45.782 -18.470 1.00 62.15 C ATOM 1033 O CYS A 73 -40.252 46.140 -18.766 1.00 21.55 O ATOM 1034 CB CYS A 73 -37.114 46.742 -19.702 1.00 72.42 C ATOM 1035 SG CYS A 73 -35.597 47.745 -19.489 1.00 63.32 S ATOM 0 H CYS A 73 -36.486 45.672 -17.379 1.00 13.12 H new ATOM 0 HA CYS A 73 -38.328 47.783 -18.328 1.00 62.23 H new ATOM 0 HB2 CYS A 73 -36.849 45.715 -19.954 1.00 72.42 H new ATOM 0 HB3 CYS A 73 -37.704 47.131 -20.532 1.00 72.42 H new ATOM 0 HG CYS A 73 -35.832 48.970 -19.854 1.00 63.32 H new