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= -8.16! C(o=-25!,f=-15!) USER MOD Set 1.2: A 61 CYS SG : rot -164:sc= -6.92! USER MOD Set 1.3: A 64 CYS SG : rot -53:sc= -1.95 USER MOD Set 1.4: A 69 HIS : no HD1:sc= -5.16! K(o=-25!,f=-15) USER MOD Set 1.5: A 73 CYS SG : rot -87:sc= -3.18 USER MOD Set 2.1: A 28 CYS SG : rot -130:sc= 0.409 USER MOD Set 2.2: A 33 CYS SG : rot -165:sc= 0.617 USER MOD Set 2.3: A 48 CYS SG : rot 20:sc= -0.432! USER MOD Set 2.4: A 56 CYS SG : rot 131:sc= 1.02 USER MOD Single : A 23 MET CE :methyl -115:sc= -5.25! (180deg=-7.49!) 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 -124:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 341 N MET A 23 -31.319 48.862 -28.183 1.00 4.01 N ATOM 342 CA MET A 23 -32.278 49.947 -28.357 1.00 12.11 C ATOM 343 C MET A 23 -31.563 51.261 -28.658 1.00 13.33 C ATOM 344 O MET A 23 -32.194 52.255 -29.011 1.00 40.30 O ATOM 345 CB MET A 23 -33.140 50.098 -27.103 1.00 41.44 C ATOM 346 CG MET A 23 -34.627 50.211 -27.398 1.00 50.51 C ATOM 347 SD MET A 23 -34.985 51.376 -28.728 1.00 13.43 S ATOM 348 CE MET A 23 -34.481 52.919 -27.969 1.00 14.55 C ATOM 0 HA MET A 23 -32.919 49.701 -29.203 1.00 12.11 H new ATOM 0 HB2 MET A 23 -32.971 49.241 -26.451 1.00 41.44 H new ATOM 0 HB3 MET A 23 -32.818 50.984 -26.555 1.00 41.44 H new ATOM 0 HG2 MET A 23 -35.016 49.229 -27.666 1.00 50.51 H new ATOM 0 HG3 MET A 23 -35.150 50.525 -26.495 1.00 50.51 H new ATOM 0 HE1 MET A 23 -35.351 53.563 -27.842 1.00 14.55 H new ATOM 0 HE2 MET A 23 -34.034 52.717 -26.996 1.00 14.55 H new ATOM 0 HE3 MET A 23 -33.751 53.417 -28.607 1.00 14.55 H new ATOM 358 N GLY A 24 -30.240 51.256 -28.516 1.00 14.15 N ATOM 359 CA GLY A 24 -29.461 52.453 -28.775 1.00 61.14 C ATOM 360 C GLY A 24 -30.040 53.286 -29.903 1.00 75.05 C ATOM 361 O GLY A 24 -30.383 52.760 -30.960 1.00 2.20 O ATOM 0 H GLY A 24 -29.695 50.444 -28.226 1.00 14.15 H new ATOM 0 HA2 GLY A 24 -29.414 53.056 -27.868 1.00 61.14 H new ATOM 0 HA3 GLY A 24 -28.438 52.171 -29.023 1.00 61.14 H new ATOM 365 N GLY A 25 -30.149 54.592 -29.675 1.00 44.23 N ATOM 366 CA GLY A 25 -30.691 55.478 -30.689 1.00 53.51 C ATOM 367 C GLY A 25 -32.117 55.899 -30.388 1.00 10.11 C ATOM 368 O GLY A 25 -33.046 55.516 -31.099 1.00 73.55 O ATOM 0 H GLY A 25 -29.872 55.051 -28.807 1.00 44.23 H new ATOM 0 HA2 GLY A 25 -30.062 56.365 -30.766 1.00 53.51 H new ATOM 0 HA3 GLY A 25 -30.659 54.979 -31.658 1.00 53.51 H new ATOM 372 N VAL A 26 -32.289 56.687 -29.332 1.00 13.43 N ATOM 373 CA VAL A 26 -33.611 57.160 -28.939 1.00 31.52 C ATOM 374 C VAL A 26 -33.628 58.676 -28.778 1.00 1.21 C ATOM 375 O VAL A 26 -32.619 59.284 -28.417 1.00 64.55 O ATOM 376 CB VAL A 26 -34.070 56.509 -27.621 1.00 14.43 C ATOM 377 CG1 VAL A 26 -33.280 57.069 -26.446 1.00 62.32 C ATOM 378 CG2 VAL A 26 -35.563 56.716 -27.417 1.00 75.52 C ATOM 0 H VAL A 26 -31.530 57.011 -28.733 1.00 13.43 H new ATOM 0 HA VAL A 26 -34.299 56.875 -29.735 1.00 31.52 H new ATOM 0 HB VAL A 26 -33.880 55.437 -27.679 1.00 14.43 H new ATOM 0 HG11 VAL A 26 -33.618 56.598 -25.523 1.00 62.32 H new ATOM 0 HG12 VAL A 26 -32.219 56.865 -26.591 1.00 62.32 H new ATOM 0 HG13 VAL A 26 -33.437 58.146 -26.382 1.00 62.32 H new ATOM 0 HG21 VAL A 26 -35.870 56.250 -26.481 1.00 75.52 H new ATOM 0 HG22 VAL A 26 -35.781 57.783 -27.379 1.00 75.52 H new ATOM 0 HG23 VAL A 26 -36.109 56.263 -28.244 1.00 75.52 H new ATOM 388 N LEU A 27 -34.779 59.281 -29.047 1.00 32.32 N ATOM 389 CA LEU A 27 -34.929 60.727 -28.933 1.00 0.15 C ATOM 390 C LEU A 27 -36.068 61.083 -27.983 1.00 40.24 C ATOM 391 O LEU A 27 -37.009 60.302 -27.852 1.00 73.12 O ATOM 392 CB LEU A 27 -35.184 61.344 -30.308 1.00 52.11 C ATOM 393 CG LEU A 27 -36.347 60.753 -31.105 1.00 23.41 C ATOM 394 CD1 LEU A 27 -37.632 61.513 -30.819 1.00 54.35 C ATOM 395 CD2 LEU A 27 -36.037 60.766 -32.594 1.00 41.41 C ATOM 0 H LEU A 27 -35.623 58.792 -29.346 1.00 32.32 H new ATOM 0 HA LEU A 27 -34.002 61.132 -28.527 1.00 0.15 H new ATOM 0 HB2 LEU A 27 -35.365 62.411 -30.177 1.00 52.11 H new ATOM 0 HB3 LEU A 27 -34.276 61.245 -30.902 1.00 52.11 H new ATOM 0 HG LEU A 27 -36.485 59.718 -30.793 1.00 23.41 H new ATOM 0 HD11 LEU A 27 -38.448 61.078 -31.395 1.00 54.35 H new ATOM 0 HD12 LEU A 27 -37.864 61.449 -29.756 1.00 54.35 H new ATOM 0 HD13 LEU A 27 -37.507 62.559 -31.100 1.00 54.35 H new ATOM 0 HD21 LEU A 27 -36.877 60.341 -33.144 1.00 41.41 H new ATOM 0 HD22 LEU A 27 -35.870 61.792 -32.922 1.00 41.41 H new ATOM 0 HD23 LEU A 27 -35.142 60.174 -32.784 1.00 41.41 H new ATOM 407 N CYS A 28 -35.962 62.242 -27.351 1.00 60.32 N ATOM 408 CA CYS A 28 -36.991 62.686 -26.424 1.00 30.33 C ATOM 409 C CYS A 28 -38.319 62.765 -27.181 1.00 3.05 C ATOM 410 O CYS A 28 -38.482 63.483 -28.167 1.00 4.32 O ATOM 411 CB CYS A 28 -36.625 64.020 -25.771 1.00 1.42 C ATOM 412 SG CYS A 28 -37.320 64.102 -24.080 1.00 51.25 S ATOM 0 H CYS A 28 -35.180 62.888 -27.462 1.00 60.32 H new ATOM 0 HA CYS A 28 -37.083 61.970 -25.607 1.00 30.33 H new ATOM 0 HB2 CYS A 28 -35.541 64.130 -25.733 1.00 1.42 H new ATOM 0 HB3 CYS A 28 -37.009 64.845 -26.371 1.00 1.42 H new ATOM 0 HG CYS A 28 -37.959 65.224 -23.928 1.00 51.25 H new ATOM 417 N PRO A 29 -39.297 61.993 -26.688 1.00 20.22 N ATOM 418 CA PRO A 29 -40.636 61.939 -27.282 1.00 52.12 C ATOM 419 C PRO A 29 -41.416 63.232 -27.070 1.00 62.45 C ATOM 420 O PRO A 29 -42.525 63.390 -27.581 1.00 34.21 O ATOM 421 CB PRO A 29 -41.309 60.781 -26.538 1.00 5.43 C ATOM 422 CG PRO A 29 -40.592 60.703 -25.234 1.00 52.42 C ATOM 423 CD PRO A 29 -39.172 61.112 -25.515 1.00 74.34 C ATOM 0 HA PRO A 29 -40.597 61.804 -28.363 1.00 52.12 H new ATOM 0 HB2 PRO A 29 -42.373 60.968 -26.394 1.00 5.43 H new ATOM 0 HB3 PRO A 29 -41.221 59.848 -27.095 1.00 5.43 H new ATOM 0 HG2 PRO A 29 -41.049 61.363 -24.497 1.00 52.42 H new ATOM 0 HG3 PRO A 29 -40.633 59.693 -24.826 1.00 52.42 H new ATOM 0 HD2 PRO A 29 -38.728 61.633 -24.667 1.00 74.34 H new ATOM 0 HD3 PRO A 29 -38.540 60.250 -25.726 1.00 74.34 H new ATOM 431 N ARG A 30 -40.830 64.154 -26.315 1.00 11.51 N ATOM 432 CA ARG A 30 -41.472 65.433 -26.035 1.00 2.51 C ATOM 433 C ARG A 30 -41.446 66.336 -27.266 1.00 24.31 C ATOM 434 O ARG A 30 -40.472 66.372 -28.020 1.00 33.30 O ATOM 435 CB ARG A 30 -40.776 66.132 -24.865 1.00 64.13 C ATOM 436 CG ARG A 30 -40.969 65.425 -23.533 1.00 0.55 C ATOM 437 CD ARG A 30 -42.411 65.510 -23.060 1.00 13.42 C ATOM 438 NE ARG A 30 -42.603 66.574 -22.079 1.00 53.11 N ATOM 439 CZ ARG A 30 -43.774 67.159 -21.850 1.00 34.52 C ATOM 440 NH1 ARG A 30 -44.851 66.785 -22.527 1.00 3.01 N ATOM 441 NH2 ARG A 30 -43.870 68.121 -20.941 1.00 35.22 N ATOM 0 H ARG A 30 -39.912 64.040 -25.886 1.00 11.51 H new ATOM 0 HA ARG A 30 -42.511 65.238 -25.769 1.00 2.51 H new ATOM 0 HB2 ARG A 30 -39.709 66.204 -25.078 1.00 64.13 H new ATOM 0 HB3 ARG A 30 -41.154 67.151 -24.784 1.00 64.13 H new ATOM 0 HG2 ARG A 30 -40.678 64.379 -23.630 1.00 0.55 H new ATOM 0 HG3 ARG A 30 -40.313 65.871 -22.785 1.00 0.55 H new ATOM 0 HD2 ARG A 30 -43.064 65.684 -23.916 1.00 13.42 H new ATOM 0 HD3 ARG A 30 -42.706 64.556 -22.623 1.00 13.42 H new ATOM 0 HE ARG A 30 -41.795 66.885 -21.540 1.00 53.11 H new ATOM 0 HH11 ARG A 30 -44.782 66.046 -23.226 1.00 3.01 H new ATOM 0 HH12 ARG A 30 -45.748 67.236 -22.348 1.00 3.01 H new ATOM 0 HH21 ARG A 30 -43.044 68.412 -20.417 1.00 35.22 H new ATOM 0 HH22 ARG A 30 -44.769 68.569 -20.766 1.00 35.22 H new ATOM 455 N PRO A 31 -42.541 67.080 -27.477 1.00 64.40 N ATOM 456 CA PRO A 31 -42.669 67.994 -28.615 1.00 53.23 C ATOM 457 C PRO A 31 -41.750 69.204 -28.492 1.00 53.53 C ATOM 458 O PRO A 31 -41.016 69.535 -29.422 1.00 23.20 O ATOM 459 CB PRO A 31 -44.136 68.428 -28.557 1.00 44.04 C ATOM 460 CG PRO A 31 -44.525 68.263 -27.130 1.00 41.10 C ATOM 461 CD PRO A 31 -43.739 67.086 -26.621 1.00 34.15 C ATOM 0 HA PRO A 31 -42.388 67.518 -29.554 1.00 53.23 H new ATOM 0 HB2 PRO A 31 -44.256 69.461 -28.883 1.00 44.04 H new ATOM 0 HB3 PRO A 31 -44.756 67.814 -29.210 1.00 44.04 H new ATOM 0 HG2 PRO A 31 -44.297 69.162 -26.557 1.00 41.10 H new ATOM 0 HG3 PRO A 31 -45.597 68.087 -27.035 1.00 41.10 H new ATOM 0 HD2 PRO A 31 -43.480 67.201 -25.568 1.00 34.15 H new ATOM 0 HD3 PRO A 31 -44.302 66.157 -26.712 1.00 34.15 H new ATOM 469 N GLY A 32 -41.798 69.863 -27.338 1.00 40.22 N ATOM 470 CA GLY A 32 -40.964 71.031 -27.115 1.00 63.44 C ATOM 471 C GLY A 32 -39.570 70.665 -26.646 1.00 34.12 C ATOM 472 O GLY A 32 -38.930 71.480 -25.981 1.00 50.21 O ATOM 0 H GLY A 32 -42.399 69.609 -26.554 1.00 40.22 H new ATOM 0 HA2 GLY A 32 -40.894 71.606 -28.038 1.00 63.44 H new ATOM 0 HA3 GLY A 32 -41.436 71.675 -26.373 1.00 63.44 H new ATOM 476 N CYS A 33 -39.128 69.465 -26.990 1.00 71.30 N ATOM 477 CA CYS A 33 -37.807 69.011 -26.590 1.00 21.42 C ATOM 478 C CYS A 33 -37.349 67.938 -27.580 1.00 21.25 C ATOM 479 O CYS A 33 -37.851 66.815 -27.603 1.00 3.45 O ATOM 480 CB CYS A 33 -37.796 68.500 -25.147 1.00 61.25 C ATOM 481 SG CYS A 33 -36.201 67.679 -24.787 1.00 33.24 S ATOM 0 H CYS A 33 -39.661 68.793 -27.541 1.00 71.30 H new ATOM 0 HA CYS A 33 -37.109 69.848 -26.614 1.00 21.42 H new ATOM 0 HB2 CYS A 33 -37.951 69.330 -24.457 1.00 61.25 H new ATOM 0 HB3 CYS A 33 -38.618 67.800 -24.994 1.00 61.25 H new ATOM 0 HG CYS A 33 -36.307 66.985 -23.693 1.00 33.24 H new ATOM 486 N GLY A 34 -36.375 68.312 -28.402 1.00 5.22 N ATOM 487 CA GLY A 34 -35.844 67.392 -29.392 1.00 61.44 C ATOM 488 C GLY A 34 -34.450 66.909 -29.046 1.00 2.15 C ATOM 489 O GLY A 34 -33.498 67.157 -29.786 1.00 74.03 O ATOM 0 H GLY A 34 -35.943 69.236 -28.401 1.00 5.22 H new ATOM 0 HA2 GLY A 34 -36.511 66.534 -29.481 1.00 61.44 H new ATOM 0 HA3 GLY A 34 -35.824 67.882 -30.365 1.00 61.44 H new ATOM 493 N ALA A 35 -34.327 66.217 -27.918 1.00 70.12 N ATOM 494 CA ALA A 35 -33.040 65.697 -27.476 1.00 0.44 C ATOM 495 C ALA A 35 -32.285 65.046 -28.630 1.00 50.33 C ATOM 496 O ALA A 35 -31.198 65.486 -29.000 1.00 43.21 O ATOM 497 CB ALA A 35 -33.233 64.703 -26.341 1.00 12.50 C ATOM 0 H ALA A 35 -35.105 66.004 -27.293 1.00 70.12 H new ATOM 0 HA ALA A 35 -32.444 66.534 -27.113 1.00 0.44 H new ATOM 0 HB1 ALA A 35 -32.263 64.323 -26.021 1.00 12.50 H new ATOM 0 HB2 ALA A 35 -33.723 65.199 -25.503 1.00 12.50 H new ATOM 0 HB3 ALA A 35 -33.852 63.874 -26.685 1.00 12.50 H new ATOM 503 N GLY A 36 -32.871 63.993 -29.194 1.00 5.45 N ATOM 504 CA GLY A 36 -32.238 63.297 -30.299 1.00 70.24 C ATOM 505 C GLY A 36 -30.748 63.116 -30.094 1.00 1.22 C ATOM 506 O GLY A 36 -29.956 63.325 -31.015 1.00 74.31 O ATOM 0 H GLY A 36 -33.771 63.610 -28.905 1.00 5.45 H new ATOM 0 HA2 GLY A 36 -32.705 62.320 -30.424 1.00 70.24 H new ATOM 0 HA3 GLY A 36 -32.410 63.853 -31.221 1.00 70.24 H new ATOM 510 N LEU A 37 -30.361 62.727 -28.884 1.00 40.31 N ATOM 511 CA LEU A 37 -28.954 62.520 -28.559 1.00 23.34 C ATOM 512 C LEU A 37 -28.696 61.070 -28.161 1.00 44.41 C ATOM 513 O LEU A 37 -29.580 60.393 -27.636 1.00 70.45 O ATOM 514 CB LEU A 37 -28.528 63.455 -27.427 1.00 32.24 C ATOM 515 CG LEU A 37 -29.548 63.661 -26.307 1.00 53.03 C ATOM 516 CD1 LEU A 37 -29.576 62.454 -25.381 1.00 15.42 C ATOM 517 CD2 LEU A 37 -29.233 64.928 -25.524 1.00 61.13 C ATOM 0 H LEU A 37 -31.002 62.548 -28.111 1.00 40.31 H new ATOM 0 HA LEU A 37 -28.364 62.745 -29.448 1.00 23.34 H new ATOM 0 HB2 LEU A 37 -27.609 63.066 -26.988 1.00 32.24 H new ATOM 0 HB3 LEU A 37 -28.289 64.428 -27.857 1.00 32.24 H new ATOM 0 HG LEU A 37 -30.535 63.771 -26.757 1.00 53.03 H new ATOM 0 HD11 LEU A 37 -30.308 62.619 -24.590 1.00 15.42 H new ATOM 0 HD12 LEU A 37 -29.850 61.565 -25.950 1.00 15.42 H new ATOM 0 HD13 LEU A 37 -28.590 62.312 -24.939 1.00 15.42 H new ATOM 0 HD21 LEU A 37 -29.969 65.058 -24.731 1.00 61.13 H new ATOM 0 HD22 LEU A 37 -28.238 64.847 -25.086 1.00 61.13 H new ATOM 0 HD23 LEU A 37 -29.265 65.787 -26.194 1.00 61.13 H new ATOM 529 N LEU A 38 -27.479 60.601 -28.412 1.00 1.22 N ATOM 530 CA LEU A 38 -27.102 59.232 -28.078 1.00 71.55 C ATOM 531 C LEU A 38 -26.199 59.200 -26.849 1.00 42.41 C ATOM 532 O LEU A 38 -25.003 59.481 -26.920 1.00 63.41 O ATOM 533 CB LEU A 38 -26.395 58.572 -29.263 1.00 13.42 C ATOM 534 CG LEU A 38 -27.198 57.516 -30.022 1.00 64.15 C ATOM 535 CD1 LEU A 38 -27.544 56.351 -29.109 1.00 72.14 C ATOM 536 CD2 LEU A 38 -28.461 58.129 -30.611 1.00 25.00 C ATOM 0 H LEU A 38 -26.736 61.149 -28.846 1.00 1.22 H new ATOM 0 HA LEU A 38 -28.012 58.676 -27.852 1.00 71.55 H new ATOM 0 HB2 LEU A 38 -26.103 59.352 -29.966 1.00 13.42 H new ATOM 0 HB3 LEU A 38 -25.477 58.110 -28.901 1.00 13.42 H new ATOM 0 HG LEU A 38 -26.585 57.139 -30.841 1.00 64.15 H new ATOM 0 HD11 LEU A 38 -28.116 55.609 -29.667 1.00 72.14 H new ATOM 0 HD12 LEU A 38 -26.626 55.896 -28.736 1.00 72.14 H new ATOM 0 HD13 LEU A 38 -28.138 56.711 -28.269 1.00 72.14 H new ATOM 0 HD21 LEU A 38 -29.021 57.363 -31.148 1.00 25.00 H new ATOM 0 HD22 LEU A 38 -29.078 58.533 -29.808 1.00 25.00 H new ATOM 0 HD23 LEU A 38 -28.190 58.930 -31.299 1.00 25.00 H new ATOM 548 N PRO A 39 -26.783 58.848 -25.694 1.00 3.42 N ATOM 549 CA PRO A 39 -26.049 58.768 -24.428 1.00 43.30 C ATOM 550 C PRO A 39 -25.066 57.602 -24.401 1.00 32.24 C ATOM 551 O PRO A 39 -24.744 57.026 -25.439 1.00 64.40 O ATOM 552 CB PRO A 39 -27.154 58.560 -23.390 1.00 12.14 C ATOM 553 CG PRO A 39 -28.270 57.928 -24.145 1.00 64.32 C ATOM 554 CD PRO A 39 -28.205 58.499 -25.535 1.00 62.02 C ATOM 0 HA PRO A 39 -25.442 59.656 -24.252 1.00 43.30 H new ATOM 0 HB2 PRO A 39 -26.816 57.920 -22.575 1.00 12.14 H new ATOM 0 HB3 PRO A 39 -27.463 59.506 -22.946 1.00 12.14 H new ATOM 0 HG2 PRO A 39 -28.164 56.843 -24.163 1.00 64.32 H new ATOM 0 HG3 PRO A 39 -29.230 58.146 -23.678 1.00 64.32 H new ATOM 0 HD2 PRO A 39 -28.527 57.774 -26.283 1.00 62.02 H new ATOM 0 HD3 PRO A 39 -28.848 59.373 -25.641 1.00 62.02 H new ATOM 562 N GLU A 40 -24.592 57.260 -23.205 1.00 45.41 N ATOM 563 CA GLU A 40 -23.646 56.164 -23.045 1.00 65.54 C ATOM 564 C GLU A 40 -24.279 54.834 -23.449 1.00 4.34 C ATOM 565 O GLU A 40 -25.497 54.663 -23.413 1.00 25.34 O ATOM 566 CB GLU A 40 -23.158 56.088 -21.598 1.00 55.51 C ATOM 567 CG GLU A 40 -24.135 55.400 -20.660 1.00 41.15 C ATOM 568 CD GLU A 40 -24.181 56.044 -19.288 1.00 23.11 C ATOM 569 OE1 GLU A 40 -24.331 57.282 -19.220 1.00 75.52 O ATOM 570 OE2 GLU A 40 -24.067 55.310 -18.283 1.00 40.41 O ATOM 0 H GLU A 40 -24.849 57.727 -22.335 1.00 45.41 H new ATOM 0 HA GLU A 40 -22.795 56.356 -23.699 1.00 65.54 H new ATOM 0 HB2 GLU A 40 -22.207 55.556 -21.572 1.00 55.51 H new ATOM 0 HB3 GLU A 40 -22.968 57.098 -21.234 1.00 55.51 H new ATOM 0 HG2 GLU A 40 -25.132 55.422 -21.101 1.00 41.15 H new ATOM 0 HG3 GLU A 40 -23.855 54.352 -20.556 1.00 41.15 H new ATOM 577 N PRO A 41 -23.432 53.872 -23.843 1.00 54.12 N ATOM 578 CA PRO A 41 -23.885 52.542 -24.262 1.00 53.21 C ATOM 579 C PRO A 41 -24.430 51.722 -23.097 1.00 12.43 C ATOM 580 O PRO A 41 -24.587 50.505 -23.201 1.00 45.34 O ATOM 581 CB PRO A 41 -22.616 51.896 -24.824 1.00 42.21 C ATOM 582 CG PRO A 41 -21.497 52.598 -24.136 1.00 20.43 C ATOM 583 CD PRO A 41 -21.968 54.008 -23.911 1.00 31.45 C ATOM 0 HA PRO A 41 -24.705 52.597 -24.978 1.00 53.21 H new ATOM 0 HB2 PRO A 41 -22.595 50.825 -24.623 1.00 42.21 H new ATOM 0 HB3 PRO A 41 -22.555 52.019 -25.905 1.00 42.21 H new ATOM 0 HG2 PRO A 41 -21.254 52.112 -23.191 1.00 20.43 H new ATOM 0 HG3 PRO A 41 -20.593 52.581 -24.745 1.00 20.43 H new ATOM 0 HD2 PRO A 41 -21.560 54.426 -22.991 1.00 31.45 H new ATOM 0 HD3 PRO A 41 -21.663 54.668 -24.723 1.00 31.45 H new ATOM 591 N ASP A 42 -24.715 52.396 -21.988 1.00 45.30 N ATOM 592 CA ASP A 42 -25.244 51.728 -20.803 1.00 14.40 C ATOM 593 C ASP A 42 -26.431 52.497 -20.232 1.00 4.20 C ATOM 594 O ASP A 42 -26.267 53.564 -19.641 1.00 4.44 O ATOM 595 CB ASP A 42 -24.152 51.589 -19.741 1.00 14.21 C ATOM 596 CG ASP A 42 -24.207 50.255 -19.026 1.00 51.05 C ATOM 597 OD1 ASP A 42 -25.314 49.689 -18.910 1.00 72.15 O ATOM 598 OD2 ASP A 42 -23.144 49.775 -18.581 1.00 23.15 O ATOM 0 H ASP A 42 -24.589 53.403 -21.884 1.00 45.30 H new ATOM 0 HA ASP A 42 -25.584 50.735 -21.096 1.00 14.40 H new ATOM 0 HB2 ASP A 42 -23.175 51.706 -20.211 1.00 14.21 H new ATOM 0 HB3 ASP A 42 -24.254 52.393 -19.012 1.00 14.21 H new ATOM 603 N GLN A 43 -27.628 51.947 -20.415 1.00 73.12 N ATOM 604 CA GLN A 43 -28.843 52.582 -19.919 1.00 12.50 C ATOM 605 C GLN A 43 -28.702 52.952 -18.446 1.00 22.30 C ATOM 606 O GLN A 43 -29.466 53.763 -17.924 1.00 70.44 O ATOM 607 CB GLN A 43 -30.043 51.654 -20.112 1.00 62.31 C ATOM 608 CG GLN A 43 -30.114 50.531 -19.090 1.00 62.40 C ATOM 609 CD GLN A 43 -31.006 50.868 -17.912 1.00 52.41 C ATOM 610 OE1 GLN A 43 -31.003 51.998 -17.419 1.00 44.02 O ATOM 611 NE2 GLN A 43 -31.776 49.889 -17.451 1.00 53.45 N ATOM 0 H GLN A 43 -27.782 51.064 -20.902 1.00 73.12 H new ATOM 0 HA GLN A 43 -29.004 53.496 -20.490 1.00 12.50 H new ATOM 0 HB2 GLN A 43 -30.959 52.242 -20.057 1.00 62.31 H new ATOM 0 HB3 GLN A 43 -30.001 51.222 -21.112 1.00 62.31 H new ATOM 0 HG2 GLN A 43 -30.484 49.627 -19.574 1.00 62.40 H new ATOM 0 HG3 GLN A 43 -29.110 50.310 -18.729 1.00 62.40 H new ATOM 0 HE21 GLN A 43 -31.747 48.968 -17.889 1.00 53.45 H new ATOM 0 HE22 GLN A 43 -32.396 50.058 -16.659 1.00 53.45 H new ATOM 620 N ARG A 44 -27.720 52.350 -17.782 1.00 73.05 N ATOM 621 CA ARG A 44 -27.481 52.615 -16.368 1.00 74.10 C ATOM 622 C ARG A 44 -27.831 54.059 -16.019 1.00 21.14 C ATOM 623 O ARG A 44 -28.504 54.322 -15.022 1.00 53.13 O ATOM 624 CB ARG A 44 -26.020 52.334 -16.016 1.00 4.34 C ATOM 625 CG ARG A 44 -25.846 51.494 -14.761 1.00 34.25 C ATOM 626 CD ARG A 44 -26.153 50.028 -15.027 1.00 53.21 C ATOM 627 NE ARG A 44 -25.020 49.334 -15.633 1.00 21.52 N ATOM 628 CZ ARG A 44 -24.889 48.012 -15.644 1.00 30.44 C ATOM 629 NH1 ARG A 44 -25.815 47.245 -15.083 1.00 13.31 N ATOM 630 NH2 ARG A 44 -23.830 47.453 -16.216 1.00 2.12 N ATOM 0 H ARG A 44 -27.078 51.676 -18.200 1.00 73.05 H new ATOM 0 HA ARG A 44 -28.122 51.953 -15.786 1.00 74.10 H new ATOM 0 HB2 ARG A 44 -25.545 51.823 -16.854 1.00 4.34 H new ATOM 0 HB3 ARG A 44 -25.498 53.282 -15.884 1.00 4.34 H new ATOM 0 HG2 ARG A 44 -24.824 51.593 -14.394 1.00 34.25 H new ATOM 0 HG3 ARG A 44 -26.504 51.869 -13.977 1.00 34.25 H new ATOM 0 HD2 ARG A 44 -26.420 49.538 -14.091 1.00 53.21 H new ATOM 0 HD3 ARG A 44 -27.019 49.952 -15.685 1.00 53.21 H new ATOM 0 HE ARG A 44 -24.290 49.895 -16.072 1.00 21.52 H new ATOM 0 HH11 ARG A 44 -26.630 47.670 -14.642 1.00 13.31 H new ATOM 0 HH12 ARG A 44 -25.711 46.230 -15.093 1.00 13.31 H new ATOM 0 HH21 ARG A 44 -23.115 48.039 -16.648 1.00 2.12 H new ATOM 0 HH22 ARG A 44 -23.731 46.438 -16.224 1.00 2.12 H new ATOM 644 N LYS A 45 -27.370 54.990 -16.844 1.00 2.42 N ATOM 645 CA LYS A 45 -27.634 56.408 -16.625 1.00 73.01 C ATOM 646 C LYS A 45 -27.744 57.153 -17.952 1.00 2.25 C ATOM 647 O LYS A 45 -26.735 57.459 -18.588 1.00 40.24 O ATOM 648 CB LYS A 45 -26.527 57.027 -15.770 1.00 13.21 C ATOM 649 CG LYS A 45 -26.776 58.483 -15.413 1.00 32.50 C ATOM 650 CD LYS A 45 -27.214 58.634 -13.965 1.00 51.23 C ATOM 651 CE LYS A 45 -27.554 60.079 -13.634 1.00 31.12 C ATOM 652 NZ LYS A 45 -28.813 60.186 -12.843 1.00 44.30 N ATOM 0 H LYS A 45 -26.810 54.789 -17.673 1.00 2.42 H new ATOM 0 HA LYS A 45 -28.584 56.498 -16.099 1.00 73.01 H new ATOM 0 HB2 LYS A 45 -26.423 56.449 -14.852 1.00 13.21 H new ATOM 0 HB3 LYS A 45 -25.580 56.949 -16.305 1.00 13.21 H new ATOM 0 HG2 LYS A 45 -25.867 59.061 -15.582 1.00 32.50 H new ATOM 0 HG3 LYS A 45 -27.542 58.894 -16.071 1.00 32.50 H new ATOM 0 HD2 LYS A 45 -28.083 58.003 -13.779 1.00 51.23 H new ATOM 0 HD3 LYS A 45 -26.420 58.286 -13.305 1.00 51.23 H new ATOM 0 HE2 LYS A 45 -26.733 60.526 -13.073 1.00 31.12 H new ATOM 0 HE3 LYS A 45 -27.656 60.649 -14.558 1.00 31.12 H new ATOM 0 HZ1 LYS A 45 -29.010 61.186 -12.638 1.00 44.30 H new ATOM 0 HZ2 LYS A 45 -29.601 59.783 -13.389 1.00 44.30 H new ATOM 0 HZ3 LYS A 45 -28.707 59.664 -11.950 1.00 44.30 H new ATOM 666 N VAL A 46 -28.973 57.445 -18.362 1.00 34.41 N ATOM 667 CA VAL A 46 -29.215 58.157 -19.611 1.00 3.11 C ATOM 668 C VAL A 46 -29.981 59.451 -19.367 1.00 15.31 C ATOM 669 O VAL A 46 -31.160 59.431 -19.014 1.00 72.11 O ATOM 670 CB VAL A 46 -30.001 57.287 -20.610 1.00 74.44 C ATOM 671 CG1 VAL A 46 -30.779 58.162 -21.581 1.00 45.53 C ATOM 672 CG2 VAL A 46 -29.063 56.351 -21.356 1.00 50.13 C ATOM 0 H VAL A 46 -29.818 57.199 -17.847 1.00 34.41 H new ATOM 0 HA VAL A 46 -28.239 58.392 -20.035 1.00 3.11 H new ATOM 0 HB VAL A 46 -30.714 56.679 -20.053 1.00 74.44 H new ATOM 0 HG11 VAL A 46 -31.328 57.531 -22.280 1.00 45.53 H new ATOM 0 HG12 VAL A 46 -31.480 58.786 -21.027 1.00 45.53 H new ATOM 0 HG13 VAL A 46 -30.087 58.797 -22.133 1.00 45.53 H new ATOM 0 HG21 VAL A 46 -29.636 55.744 -22.057 1.00 50.13 H new ATOM 0 HG22 VAL A 46 -28.324 56.936 -21.903 1.00 50.13 H new ATOM 0 HG23 VAL A 46 -28.556 55.700 -20.644 1.00 50.13 H new ATOM 682 N THR A 47 -29.303 60.580 -19.559 1.00 62.40 N ATOM 683 CA THR A 47 -29.920 61.884 -19.358 1.00 51.42 C ATOM 684 C THR A 47 -30.233 62.554 -20.692 1.00 72.24 C ATOM 685 O THR A 47 -29.325 62.749 -21.496 1.00 3.30 O ATOM 686 CB THR A 47 -29.012 62.814 -18.531 1.00 41.23 C ATOM 687 OG1 THR A 47 -28.795 62.256 -17.230 1.00 43.11 O ATOM 688 CG2 THR A 47 -29.630 64.198 -18.399 1.00 61.54 C ATOM 0 H THR A 47 -28.327 60.616 -19.853 1.00 62.40 H new ATOM 0 HA THR A 47 -30.848 61.714 -18.812 1.00 51.42 H new ATOM 0 HB THR A 47 -28.058 62.909 -19.049 1.00 41.23 H new ATOM 0 HG1 THR A 47 -28.216 62.852 -16.711 1.00 43.11 H new ATOM 0 HG21 THR A 47 -28.971 64.836 -17.811 1.00 61.54 H new ATOM 0 HG22 THR A 47 -29.766 64.632 -19.390 1.00 61.54 H new ATOM 0 HG23 THR A 47 -30.597 64.119 -17.901 1.00 61.54 H new ATOM 696 N CYS A 48 -31.500 62.889 -20.894 1.00 41.53 N ATOM 697 CA CYS A 48 -31.915 63.533 -22.129 1.00 32.25 C ATOM 698 C CYS A 48 -31.210 64.888 -22.223 1.00 20.40 C ATOM 699 O CYS A 48 -31.127 65.506 -23.284 1.00 72.25 O ATOM 700 CB CYS A 48 -33.436 63.674 -22.209 1.00 3.31 C ATOM 701 SG CYS A 48 -33.877 65.289 -22.949 1.00 44.13 S ATOM 0 H CYS A 48 -32.252 62.727 -20.224 1.00 41.53 H new ATOM 0 HA CYS A 48 -31.628 62.915 -22.980 1.00 32.25 H new ATOM 0 HB2 CYS A 48 -33.854 62.864 -22.807 1.00 3.31 H new ATOM 0 HB3 CYS A 48 -33.870 63.591 -21.213 1.00 3.31 H new ATOM 0 HG CYS A 48 -32.860 65.756 -23.610 1.00 44.13 H new ATOM 706 N GLU A 49 -30.702 65.338 -21.080 1.00 0.12 N ATOM 707 CA GLU A 49 -30.001 66.614 -21.007 1.00 70.24 C ATOM 708 C GLU A 49 -28.510 66.433 -21.274 1.00 42.03 C ATOM 709 O GLU A 49 -27.837 65.654 -20.600 1.00 51.11 O ATOM 710 CB GLU A 49 -30.209 67.258 -19.634 1.00 64.21 C ATOM 711 CG GLU A 49 -29.108 68.230 -19.245 1.00 70.23 C ATOM 712 CD GLU A 49 -29.646 69.592 -18.849 1.00 21.22 C ATOM 713 OE1 GLU A 49 -30.836 69.675 -18.483 1.00 52.12 O ATOM 714 OE2 GLU A 49 -28.876 70.573 -18.906 1.00 31.30 O ATOM 0 H GLU A 49 -30.763 64.838 -20.193 1.00 0.12 H new ATOM 0 HA GLU A 49 -30.413 67.269 -21.775 1.00 70.24 H new ATOM 0 HB2 GLU A 49 -31.164 67.783 -19.629 1.00 64.21 H new ATOM 0 HB3 GLU A 49 -30.273 66.474 -18.880 1.00 64.21 H new ATOM 0 HG2 GLU A 49 -28.537 67.814 -18.415 1.00 70.23 H new ATOM 0 HG3 GLU A 49 -28.418 68.345 -20.081 1.00 70.23 H new ATOM 775 N GLY A 55 -32.703 69.377 -22.829 1.00 2.45 N ATOM 776 CA GLY A 55 -32.515 68.649 -21.587 1.00 41.24 C ATOM 777 C GLY A 55 -33.706 68.773 -20.657 1.00 4.22 C ATOM 778 O GLY A 55 -34.002 69.879 -20.209 1.00 20.20 O ATOM 0 HA2 GLY A 55 -32.339 67.596 -21.809 1.00 41.24 H new ATOM 0 HA3 GLY A 55 -31.623 69.021 -21.082 1.00 41.24 H new ATOM 782 N CYS A 56 -34.360 67.653 -20.388 1.00 55.41 N ATOM 783 CA CYS A 56 -35.518 67.656 -19.510 1.00 12.33 C ATOM 784 C CYS A 56 -35.023 67.666 -18.062 1.00 31.53 C ATOM 785 O CYS A 56 -35.336 68.554 -17.270 1.00 4.34 O ATOM 786 CB CYS A 56 -36.444 66.471 -19.790 1.00 33.14 C ATOM 787 SG CYS A 56 -37.131 66.599 -21.479 1.00 4.30 S ATOM 0 H CYS A 56 -34.110 66.738 -20.762 1.00 55.41 H new ATOM 0 HA CYS A 56 -36.115 68.549 -19.694 1.00 12.33 H new ATOM 0 HB2 CYS A 56 -35.894 65.536 -19.682 1.00 33.14 H new ATOM 0 HB3 CYS A 56 -37.253 66.451 -19.060 1.00 33.14 H new ATOM 0 HG CYS A 56 -36.976 65.466 -22.098 1.00 4.30 H new ATOM 792 N GLY A 57 -34.235 66.647 -17.731 1.00 72.34 N ATOM 793 CA GLY A 57 -33.696 66.531 -16.389 1.00 44.10 C ATOM 794 C GLY A 57 -33.967 65.175 -15.769 1.00 22.11 C ATOM 795 O GLY A 57 -33.385 64.826 -14.742 1.00 72.12 O ATOM 0 H GLY A 57 -33.961 65.900 -18.369 1.00 72.34 H new ATOM 0 HA2 GLY A 57 -32.620 66.706 -16.417 1.00 44.10 H new ATOM 0 HA3 GLY A 57 -34.129 67.308 -15.759 1.00 44.10 H new ATOM 799 N PHE A 58 -34.855 64.408 -16.393 1.00 11.01 N ATOM 800 CA PHE A 58 -35.205 63.082 -15.895 1.00 53.53 C ATOM 801 C PHE A 58 -34.585 61.994 -16.765 1.00 34.45 C ATOM 802 O PHE A 58 -34.989 61.792 -17.909 1.00 75.41 O ATOM 803 CB PHE A 58 -36.725 62.914 -15.854 1.00 54.53 C ATOM 804 CG PHE A 58 -37.168 61.597 -15.288 1.00 73.21 C ATOM 805 CD1 PHE A 58 -37.137 60.449 -16.064 1.00 74.31 C ATOM 806 CD2 PHE A 58 -37.616 61.505 -13.980 1.00 13.44 C ATOM 807 CE1 PHE A 58 -37.543 59.234 -15.545 1.00 72.35 C ATOM 808 CE2 PHE A 58 -38.022 60.293 -13.456 1.00 72.45 C ATOM 809 CZ PHE A 58 -37.989 59.156 -14.239 1.00 4.33 C ATOM 0 H PHE A 58 -35.346 64.682 -17.244 1.00 11.01 H new ATOM 0 HA PHE A 58 -34.809 62.984 -14.884 1.00 53.53 H new ATOM 0 HB2 PHE A 58 -37.155 63.719 -15.259 1.00 54.53 H new ATOM 0 HB3 PHE A 58 -37.121 63.018 -16.864 1.00 54.53 H new ATOM 0 HD1 PHE A 58 -36.792 60.504 -17.086 1.00 74.31 H new ATOM 0 HD2 PHE A 58 -37.648 62.391 -13.363 1.00 13.44 H new ATOM 0 HE1 PHE A 58 -37.512 58.346 -16.159 1.00 72.35 H new ATOM 0 HE2 PHE A 58 -38.365 60.235 -12.434 1.00 72.45 H new ATOM 0 HZ PHE A 58 -38.311 58.209 -13.832 1.00 4.33 H new ATOM 819 N ALA A 59 -33.600 61.294 -16.212 1.00 1.14 N ATOM 820 CA ALA A 59 -32.923 60.224 -16.935 1.00 43.12 C ATOM 821 C ALA A 59 -33.844 59.023 -17.126 1.00 21.25 C ATOM 822 O ALA A 59 -34.621 58.677 -16.236 1.00 72.44 O ATOM 823 CB ALA A 59 -31.655 59.809 -16.202 1.00 41.33 C ATOM 0 H ALA A 59 -33.253 61.449 -15.265 1.00 1.14 H new ATOM 0 HA ALA A 59 -32.651 60.601 -17.921 1.00 43.12 H new ATOM 0 HB1 ALA A 59 -31.161 59.009 -16.754 1.00 41.33 H new ATOM 0 HB2 ALA A 59 -30.984 60.664 -16.123 1.00 41.33 H new ATOM 0 HB3 ALA A 59 -31.911 59.456 -15.203 1.00 41.33 H new ATOM 829 N PHE A 60 -33.750 58.390 -18.290 1.00 41.20 N ATOM 830 CA PHE A 60 -34.575 57.228 -18.598 1.00 52.21 C ATOM 831 C PHE A 60 -33.707 56.018 -18.930 1.00 73.44 C ATOM 832 O PHE A 60 -32.483 56.127 -18.902 1.00 53.04 O ATOM 833 CB PHE A 60 -35.510 57.537 -19.770 1.00 63.23 C ATOM 834 CG PHE A 60 -34.787 57.822 -21.055 1.00 31.23 C ATOM 835 CD1 PHE A 60 -34.036 58.976 -21.202 1.00 14.24 C ATOM 836 CD2 PHE A 60 -34.859 56.934 -22.117 1.00 1.25 C ATOM 837 CE1 PHE A 60 -33.368 59.241 -22.383 1.00 71.41 C ATOM 838 CE2 PHE A 60 -34.193 57.193 -23.300 1.00 61.35 C ATOM 839 CZ PHE A 60 -33.448 58.348 -23.434 1.00 60.31 C ATOM 0 H PHE A 60 -33.110 58.662 -19.036 1.00 41.20 H new ATOM 0 HA PHE A 60 -35.173 56.993 -17.717 1.00 52.21 H new ATOM 0 HB2 PHE A 60 -36.182 56.692 -19.920 1.00 63.23 H new ATOM 0 HB3 PHE A 60 -36.130 58.396 -19.513 1.00 63.23 H new ATOM 0 HD1 PHE A 60 -33.971 59.678 -20.384 1.00 14.24 H new ATOM 0 HD2 PHE A 60 -35.442 56.030 -22.019 1.00 1.25 H new ATOM 0 HE1 PHE A 60 -32.785 60.144 -22.484 1.00 71.41 H new ATOM 0 HE2 PHE A 60 -34.255 56.492 -24.119 1.00 61.35 H new ATOM 0 HZ PHE A 60 -32.929 58.553 -24.359 1.00 60.31 H new ATOM 849 N CYS A 61 -34.355 54.902 -19.231 1.00 61.51 N ATOM 850 CA CYS A 61 -33.634 53.684 -19.563 1.00 15.20 C ATOM 851 C CYS A 61 -33.737 53.463 -21.073 1.00 30.24 C ATOM 852 O CYS A 61 -34.780 53.093 -21.609 1.00 71.02 O ATOM 853 CB CYS A 61 -34.157 52.483 -18.771 1.00 45.55 C ATOM 854 SG CYS A 61 -33.494 50.931 -19.480 1.00 14.33 S ATOM 0 H CYS A 61 -35.371 54.815 -19.252 1.00 61.51 H new ATOM 0 HA CYS A 61 -32.586 53.790 -19.283 1.00 15.20 H new ATOM 0 HB2 CYS A 61 -33.862 52.570 -17.725 1.00 45.55 H new ATOM 0 HB3 CYS A 61 -35.247 52.467 -18.795 1.00 45.55 H new ATOM 0 HG CYS A 61 -34.186 49.922 -19.039 1.00 14.33 H new ATOM 859 N ARG A 62 -32.618 53.697 -21.752 1.00 31.01 N ATOM 860 CA ARG A 62 -32.555 53.532 -23.200 1.00 30.24 C ATOM 861 C ARG A 62 -32.981 52.124 -23.605 1.00 63.12 C ATOM 862 O ARG A 62 -33.505 51.915 -24.698 1.00 22.13 O ATOM 863 CB ARG A 62 -31.137 53.812 -23.705 1.00 54.42 C ATOM 864 CG ARG A 62 -30.125 52.757 -23.293 1.00 23.11 C ATOM 865 CD ARG A 62 -28.813 52.920 -24.045 1.00 34.21 C ATOM 866 NE ARG A 62 -28.559 51.808 -24.955 1.00 64.54 N ATOM 867 CZ ARG A 62 -28.302 50.569 -24.548 1.00 1.21 C ATOM 868 NH1 ARG A 62 -28.263 50.288 -23.252 1.00 0.00 N ATOM 869 NH2 ARG A 62 -28.082 49.609 -25.437 1.00 45.02 N ATOM 0 H ARG A 62 -31.744 54.001 -21.323 1.00 31.01 H new ATOM 0 HA ARG A 62 -33.243 54.246 -23.653 1.00 30.24 H new ATOM 0 HB2 ARG A 62 -31.155 53.881 -24.793 1.00 54.42 H new ATOM 0 HB3 ARG A 62 -30.811 54.782 -23.329 1.00 54.42 H new ATOM 0 HG2 ARG A 62 -29.942 52.826 -22.221 1.00 23.11 H new ATOM 0 HG3 ARG A 62 -30.534 51.765 -23.483 1.00 23.11 H new ATOM 0 HD2 ARG A 62 -28.833 53.852 -24.609 1.00 34.21 H new ATOM 0 HD3 ARG A 62 -27.994 52.997 -23.330 1.00 34.21 H new ATOM 0 HE ARG A 62 -28.580 51.991 -25.958 1.00 64.54 H new ATOM 0 HH11 ARG A 62 -28.430 51.024 -22.565 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -28.066 49.336 -22.942 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -28.110 49.821 -26.434 1.00 45.02 H new ATOM 0 HH22 ARG A 62 -27.885 48.659 -25.123 1.00 45.02 H new ATOM 883 N GLU A 63 -32.753 51.163 -22.716 1.00 21.13 N ATOM 884 CA GLU A 63 -33.113 49.775 -22.983 1.00 13.53 C ATOM 885 C GLU A 63 -34.598 49.652 -23.314 1.00 12.33 C ATOM 886 O GLU A 63 -34.942 49.040 -24.323 1.00 0.10 O ATOM 887 CB GLU A 63 -32.772 48.896 -21.778 1.00 71.14 C ATOM 888 CG GLU A 63 -32.154 47.560 -22.155 1.00 35.53 C ATOM 889 CD GLU A 63 -32.562 46.442 -21.214 1.00 0.42 C ATOM 890 OE1 GLU A 63 -31.906 46.281 -20.163 1.00 0.31 O ATOM 891 OE2 GLU A 63 -33.537 45.729 -21.528 1.00 52.41 O ATOM 0 H GLU A 63 -32.321 51.319 -21.805 1.00 21.13 H new ATOM 0 HA GLU A 63 -32.538 49.436 -23.845 1.00 13.53 H new ATOM 0 HB2 GLU A 63 -32.082 49.436 -21.129 1.00 71.14 H new ATOM 0 HB3 GLU A 63 -33.679 48.717 -21.201 1.00 71.14 H new ATOM 0 HG2 GLU A 63 -32.450 47.301 -23.171 1.00 35.53 H new ATOM 0 HG3 GLU A 63 -31.068 47.653 -22.154 1.00 35.53 H new ATOM 898 N CYS A 64 -35.434 50.229 -22.463 1.00 71.35 N ATOM 899 CA CYS A 64 -36.872 50.175 -22.676 1.00 12.32 C ATOM 900 C CYS A 64 -37.345 51.567 -23.104 1.00 22.25 C ATOM 901 O CYS A 64 -38.534 51.824 -23.288 1.00 72.25 O ATOM 902 CB CYS A 64 -37.609 49.681 -21.431 1.00 22.53 C ATOM 903 SG CYS A 64 -37.025 50.588 -19.954 1.00 13.40 S ATOM 0 H CYS A 64 -35.145 50.735 -21.626 1.00 71.35 H new ATOM 0 HA CYS A 64 -37.100 49.456 -23.463 1.00 12.32 H new ATOM 0 HB2 CYS A 64 -38.683 49.823 -21.554 1.00 22.53 H new ATOM 0 HB3 CYS A 64 -37.442 48.612 -21.300 1.00 22.53 H new ATOM 0 HG CYS A 64 -35.728 50.522 -19.889 1.00 13.40 H new ATOM 908 N LYS A 65 -36.379 52.465 -23.260 1.00 0.20 N ATOM 909 CA LYS A 65 -36.666 53.835 -23.667 1.00 74.31 C ATOM 910 C LYS A 65 -37.856 54.394 -22.891 1.00 5.13 C ATOM 911 O LYS A 65 -38.620 55.208 -23.412 1.00 21.41 O ATOM 912 CB LYS A 65 -36.950 53.895 -25.170 1.00 34.31 C ATOM 913 CG LYS A 65 -37.788 52.733 -25.677 1.00 45.13 C ATOM 914 CD LYS A 65 -37.966 52.791 -27.184 1.00 60.11 C ATOM 915 CE LYS A 65 -39.436 52.882 -27.569 1.00 25.24 C ATOM 916 NZ LYS A 65 -39.620 53.484 -28.918 1.00 73.01 N ATOM 0 H LYS A 65 -35.389 52.268 -23.111 1.00 0.20 H new ATOM 0 HA LYS A 65 -35.790 54.445 -23.445 1.00 74.31 H new ATOM 0 HB2 LYS A 65 -37.464 54.829 -25.397 1.00 34.31 H new ATOM 0 HB3 LYS A 65 -36.003 53.912 -25.710 1.00 34.31 H new ATOM 0 HG2 LYS A 65 -37.311 51.792 -25.402 1.00 45.13 H new ATOM 0 HG3 LYS A 65 -38.765 52.749 -25.193 1.00 45.13 H new ATOM 0 HD2 LYS A 65 -37.431 53.653 -27.582 1.00 60.11 H new ATOM 0 HD3 LYS A 65 -37.524 51.904 -27.638 1.00 60.11 H new ATOM 0 HE2 LYS A 65 -39.878 51.886 -27.553 1.00 25.24 H new ATOM 0 HE3 LYS A 65 -39.969 53.479 -26.829 1.00 25.24 H new ATOM 0 HZ1 LYS A 65 -40.634 53.528 -29.143 1.00 73.01 H new ATOM 0 HZ2 LYS A 65 -39.221 54.444 -28.927 1.00 73.01 H new ATOM 0 HZ3 LYS A 65 -39.133 52.900 -29.628 1.00 73.01 H new ATOM 930 N GLU A 66 -38.005 53.954 -21.648 1.00 71.43 N ATOM 931 CA GLU A 66 -39.102 54.410 -20.803 1.00 14.33 C ATOM 932 C GLU A 66 -38.575 54.978 -19.487 1.00 75.24 C ATOM 933 O GLU A 66 -37.371 54.975 -19.237 1.00 12.01 O ATOM 934 CB GLU A 66 -40.074 53.261 -20.521 1.00 1.42 C ATOM 935 CG GLU A 66 -39.847 52.589 -19.179 1.00 32.52 C ATOM 936 CD GLU A 66 -40.753 51.391 -18.965 1.00 61.40 C ATOM 937 OE1 GLU A 66 -41.281 50.863 -19.967 1.00 22.45 O ATOM 938 OE2 GLU A 66 -40.934 50.982 -17.799 1.00 51.22 O ATOM 0 H GLU A 66 -37.380 53.282 -21.202 1.00 71.43 H new ATOM 0 HA GLU A 66 -39.631 55.200 -21.336 1.00 14.33 H new ATOM 0 HB2 GLU A 66 -41.095 53.642 -20.559 1.00 1.42 H new ATOM 0 HB3 GLU A 66 -39.982 52.516 -21.311 1.00 1.42 H new ATOM 0 HG2 GLU A 66 -38.807 52.271 -19.108 1.00 32.52 H new ATOM 0 HG3 GLU A 66 -40.014 53.313 -18.382 1.00 32.52 H new ATOM 945 N ALA A 67 -39.487 55.466 -18.651 1.00 44.22 N ATOM 946 CA ALA A 67 -39.116 56.036 -17.364 1.00 73.50 C ATOM 947 C ALA A 67 -38.235 55.075 -16.571 1.00 71.23 C ATOM 948 O ALA A 67 -38.548 53.890 -16.449 1.00 3.21 O ATOM 949 CB ALA A 67 -40.362 56.393 -16.565 1.00 24.31 C ATOM 0 H ALA A 67 -40.489 55.477 -18.844 1.00 44.22 H new ATOM 0 HA ALA A 67 -38.543 56.945 -17.549 1.00 73.50 H new ATOM 0 HB1 ALA A 67 -40.069 56.818 -15.605 1.00 24.31 H new ATOM 0 HB2 ALA A 67 -40.953 57.122 -17.119 1.00 24.31 H new ATOM 0 HB3 ALA A 67 -40.957 55.495 -16.398 1.00 24.31 H new ATOM 955 N TYR A 68 -37.137 55.593 -16.034 1.00 24.25 N ATOM 956 CA TYR A 68 -36.209 54.779 -15.257 1.00 55.30 C ATOM 957 C TYR A 68 -36.944 54.016 -14.159 1.00 12.53 C ATOM 958 O TYR A 68 -37.289 54.578 -13.120 1.00 34.25 O ATOM 959 CB TYR A 68 -35.119 55.658 -14.640 1.00 71.52 C ATOM 960 CG TYR A 68 -33.805 54.940 -14.439 1.00 12.42 C ATOM 961 CD1 TYR A 68 -33.555 54.219 -13.277 1.00 60.33 C ATOM 962 CD2 TYR A 68 -32.811 54.982 -15.409 1.00 42.22 C ATOM 963 CE1 TYR A 68 -32.355 53.562 -13.088 1.00 12.43 C ATOM 964 CE2 TYR A 68 -31.608 54.328 -15.229 1.00 64.45 C ATOM 965 CZ TYR A 68 -31.385 53.619 -14.067 1.00 22.34 C ATOM 966 OH TYR A 68 -30.188 52.965 -13.883 1.00 64.23 O ATOM 0 H TYR A 68 -36.867 56.573 -16.122 1.00 24.25 H new ATOM 0 HA TYR A 68 -35.746 54.057 -15.930 1.00 55.30 H new ATOM 0 HB2 TYR A 68 -34.956 56.524 -15.281 1.00 71.52 H new ATOM 0 HB3 TYR A 68 -35.468 56.035 -13.679 1.00 71.52 H new ATOM 0 HD1 TYR A 68 -34.312 54.172 -12.509 1.00 60.33 H new ATOM 0 HD2 TYR A 68 -32.982 55.536 -16.320 1.00 42.22 H new ATOM 0 HE1 TYR A 68 -32.177 53.007 -12.179 1.00 12.43 H new ATOM 0 HE2 TYR A 68 -30.846 54.371 -15.993 1.00 64.45 H new ATOM 0 HH TYR A 68 -29.449 53.601 -13.980 1.00 64.23 H new ATOM 976 N HIS A 69 -37.179 52.730 -14.397 1.00 65.44 N ATOM 977 CA HIS A 69 -37.872 51.887 -13.429 1.00 31.11 C ATOM 978 C HIS A 69 -37.029 51.700 -12.170 1.00 31.22 C ATOM 979 O HIS A 69 -37.493 51.134 -11.181 1.00 32.51 O ATOM 980 CB HIS A 69 -38.196 50.525 -14.045 1.00 42.14 C ATOM 981 CG HIS A 69 -37.275 50.138 -15.161 1.00 32.03 C ATOM 982 ND1 HIS A 69 -37.703 49.493 -16.302 1.00 63.44 N ATOM 983 CD2 HIS A 69 -35.940 50.311 -15.308 1.00 12.31 C ATOM 984 CE1 HIS A 69 -36.673 49.284 -17.101 1.00 5.52 C ATOM 985 NE2 HIS A 69 -35.590 49.773 -16.522 1.00 60.42 N ATOM 0 H HIS A 69 -36.900 52.249 -15.252 1.00 65.44 H new ATOM 0 HA HIS A 69 -38.802 52.383 -13.153 1.00 31.11 H new ATOM 0 HB2 HIS A 69 -38.150 49.763 -13.267 1.00 42.14 H new ATOM 0 HB3 HIS A 69 -39.220 50.539 -14.418 1.00 42.14 H new ATOM 0 HD2 HIS A 69 -35.274 50.784 -14.602 1.00 12.31 H new ATOM 0 HE1 HIS A 69 -36.709 48.796 -18.064 1.00 5.52 H new ATOM 0 HE2 HIS A 69 -34.648 49.754 -16.913 1.00 60.42 H new ATOM 993 N GLU A 70 -35.790 52.180 -12.217 1.00 54.42 N ATOM 994 CA GLU A 70 -34.883 52.064 -11.079 1.00 64.05 C ATOM 995 C GLU A 70 -34.594 50.600 -10.763 1.00 1.41 C ATOM 996 O GLU A 70 -34.464 50.220 -9.600 1.00 4.22 O ATOM 997 CB GLU A 70 -35.479 52.757 -9.852 1.00 61.44 C ATOM 998 CG GLU A 70 -35.924 54.185 -10.115 1.00 21.41 C ATOM 999 CD GLU A 70 -37.378 54.419 -9.758 1.00 74.32 C ATOM 1000 OE1 GLU A 70 -37.936 53.615 -8.981 1.00 54.40 O ATOM 1001 OE2 GLU A 70 -37.960 55.406 -10.255 1.00 32.23 O ATOM 0 H GLU A 70 -35.391 52.652 -13.029 1.00 54.42 H new ATOM 0 HA GLU A 70 -33.944 52.552 -11.341 1.00 64.05 H new ATOM 0 HB2 GLU A 70 -36.333 52.179 -9.498 1.00 61.44 H new ATOM 0 HB3 GLU A 70 -34.740 52.758 -9.051 1.00 61.44 H new ATOM 0 HG2 GLU A 70 -35.298 54.868 -9.540 1.00 21.41 H new ATOM 0 HG3 GLU A 70 -35.770 54.421 -11.168 1.00 21.41 H new ATOM 1008 N GLY A 71 -34.494 49.782 -11.806 1.00 51.14 N ATOM 1009 CA GLY A 71 -34.221 48.370 -11.619 1.00 3.43 C ATOM 1010 C GLY A 71 -33.843 47.676 -12.913 1.00 12.55 C ATOM 1011 O GLY A 71 -32.725 47.834 -13.404 1.00 73.50 O ATOM 0 H GLY A 71 -34.597 50.073 -12.778 1.00 51.14 H new ATOM 0 HA2 GLY A 71 -33.413 48.252 -10.897 1.00 3.43 H new ATOM 0 HA3 GLY A 71 -35.101 47.886 -11.194 1.00 3.43 H new ATOM 1015 N GLU A 72 -34.774 46.904 -13.462 1.00 4.23 N ATOM 1016 CA GLU A 72 -34.530 46.180 -14.705 1.00 72.13 C ATOM 1017 C GLU A 72 -35.794 46.125 -15.558 1.00 62.23 C ATOM 1018 O GLU A 72 -36.893 46.081 -15.006 1.00 22.42 O ATOM 1019 CB GLU A 72 -34.039 44.762 -14.408 1.00 41.32 C ATOM 1020 CG GLU A 72 -35.044 43.918 -13.644 1.00 34.40 C ATOM 1021 CD GLU A 72 -34.562 42.497 -13.420 1.00 73.40 C ATOM 1022 OE1 GLU A 72 -33.673 42.047 -14.171 1.00 24.12 O ATOM 1023 OE2 GLU A 72 -35.076 41.837 -12.492 1.00 3.00 O ATOM 0 H GLU A 72 -35.704 46.763 -13.067 1.00 4.23 H new ATOM 0 HA GLU A 72 -33.759 46.713 -15.261 1.00 72.13 H new ATOM 0 HB2 GLU A 72 -33.800 44.265 -15.348 1.00 41.32 H new ATOM 0 HB3 GLU A 72 -33.114 44.820 -13.834 1.00 41.32 H new ATOM 0 HG2 GLU A 72 -35.247 44.385 -12.680 1.00 34.40 H new ATOM 0 HG3 GLU A 72 -35.986 43.896 -14.192 1.00 34.40 H new ATOM 1030 N CYS A 73 -35.614 46.128 -16.871 1.00 73.11 N ATOM 1031 CA CYS A 73 -36.743 46.079 -17.783 1.00 53.24 C ATOM 1032 C CYS A 73 -37.542 44.808 -17.489 1.00 61.31 C ATOM 1033 O CYS A 73 -38.758 44.744 -17.667 1.00 51.44 O ATOM 1034 CB CYS A 73 -36.295 46.147 -19.244 1.00 73.50 C ATOM 1035 SG CYS A 73 -34.990 47.416 -19.440 1.00 72.34 S ATOM 0 H CYS A 73 -34.701 46.164 -17.325 1.00 73.11 H new ATOM 0 HA CYS A 73 -37.378 46.951 -17.627 1.00 53.24 H new ATOM 0 HB2 CYS A 73 -35.919 45.175 -19.563 1.00 73.50 H new ATOM 0 HB3 CYS A 73 -37.145 46.386 -19.883 1.00 73.50 H new ATOM 0 HG CYS A 73 -35.540 48.575 -19.650 1.00 72.34 H new