USER MOD reduce.3.24.130724 H: found=0, std=0, add=315, rem=0, adj=11 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 61 CYS SG : rot 150:sc= -0.518 USER MOD Set 1.2: A 64 CYS SG : rot -54:sc= -0.419 USER MOD Set 1.3: A 69 HIS : no HD1:sc= -4.43! K(o=-6.3!,f=0.087) USER MOD Set 1.4: A 73 CYS SG : rot -80:sc= -0.91 USER MOD Set 2.1: A 28 CYS SG : rot 148:sc= 0.539 USER MOD Set 2.2: A 33 CYS SG : rot 142:sc= -1.79! USER MOD Set 2.3: A 48 CYS SG : rot -34:sc= 0.264 USER MOD Set 2.4: A 56 CYS SG : rot 146:sc= -0.78 USER MOD Single : A 23 MET CE :methyl -137:sc= -0.355 (180deg=-2.25!) USER MOD Single : A 43 GLN : amide:sc= -3.1! C(o=-3.1!,f=-6.4!) USER MOD Single : A 45 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.62) 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 9:sc= 0.994 USER MOD ----------------------------------------------------------------- ATOM 341 N MET A 23 -30.932 49.097 -27.621 1.00 60.13 N ATOM 342 CA MET A 23 -31.500 50.401 -27.948 1.00 74.13 C ATOM 343 C MET A 23 -30.401 51.443 -28.126 1.00 65.24 C ATOM 344 O MET A 23 -29.326 51.332 -27.538 1.00 22.43 O ATOM 345 CB MET A 23 -32.469 50.848 -26.851 1.00 35.11 C ATOM 346 CG MET A 23 -33.481 51.882 -27.319 1.00 65.51 C ATOM 347 SD MET A 23 -34.425 51.331 -28.753 1.00 3.03 S ATOM 348 CE MET A 23 -34.070 52.644 -29.918 1.00 23.25 C ATOM 0 HA MET A 23 -32.044 50.308 -28.888 1.00 74.13 H new ATOM 0 HB2 MET A 23 -33.002 49.976 -26.471 1.00 35.11 H new ATOM 0 HB3 MET A 23 -31.898 51.261 -26.019 1.00 35.11 H new ATOM 0 HG2 MET A 23 -34.167 52.109 -26.503 1.00 65.51 H new ATOM 0 HG3 MET A 23 -32.961 52.808 -27.565 1.00 65.51 H new ATOM 0 HE1 MET A 23 -34.985 52.926 -30.438 1.00 23.25 H new ATOM 0 HE2 MET A 23 -33.675 53.508 -29.383 1.00 23.25 H new ATOM 0 HE3 MET A 23 -33.333 52.298 -30.643 1.00 23.25 H new ATOM 358 N GLY A 24 -30.677 52.456 -28.943 1.00 62.52 N ATOM 359 CA GLY A 24 -29.700 53.502 -29.184 1.00 34.50 C ATOM 360 C GLY A 24 -30.318 54.885 -29.164 1.00 71.13 C ATOM 361 O GLY A 24 -30.575 55.444 -28.098 1.00 22.01 O ATOM 0 H GLY A 24 -31.559 52.571 -29.442 1.00 62.52 H new ATOM 0 HA2 GLY A 24 -28.917 53.446 -28.427 1.00 34.50 H new ATOM 0 HA3 GLY A 24 -29.223 53.334 -30.149 1.00 34.50 H new ATOM 365 N GLY A 25 -30.556 55.443 -30.347 1.00 12.41 N ATOM 366 CA GLY A 25 -31.144 56.768 -30.439 1.00 31.15 C ATOM 367 C GLY A 25 -32.578 56.800 -29.951 1.00 71.52 C ATOM 368 O GLY A 25 -33.411 56.008 -30.394 1.00 42.32 O ATOM 0 H GLY A 25 -30.352 55.002 -31.244 1.00 12.41 H new ATOM 0 HA2 GLY A 25 -30.548 57.468 -29.853 1.00 31.15 H new ATOM 0 HA3 GLY A 25 -31.108 57.107 -31.474 1.00 31.15 H new ATOM 372 N VAL A 26 -32.870 57.718 -29.035 1.00 33.11 N ATOM 373 CA VAL A 26 -34.214 57.851 -28.487 1.00 22.52 C ATOM 374 C VAL A 26 -34.703 59.292 -28.573 1.00 1.14 C ATOM 375 O VAL A 26 -34.276 60.151 -27.801 1.00 2.40 O ATOM 376 CB VAL A 26 -34.269 57.389 -27.019 1.00 22.15 C ATOM 377 CG1 VAL A 26 -34.055 55.885 -26.923 1.00 42.52 C ATOM 378 CG2 VAL A 26 -33.239 58.136 -26.186 1.00 44.01 C ATOM 0 H VAL A 26 -32.193 58.381 -28.657 1.00 33.11 H new ATOM 0 HA VAL A 26 -34.864 57.214 -29.086 1.00 22.52 H new ATOM 0 HB VAL A 26 -35.258 57.617 -26.622 1.00 22.15 H new ATOM 0 HG11 VAL A 26 -34.097 55.577 -25.878 1.00 42.52 H new ATOM 0 HG12 VAL A 26 -34.834 55.370 -27.485 1.00 42.52 H new ATOM 0 HG13 VAL A 26 -33.080 55.629 -27.337 1.00 42.52 H new ATOM 0 HG21 VAL A 26 -33.292 57.797 -25.152 1.00 44.01 H new ATOM 0 HG22 VAL A 26 -32.242 57.942 -26.581 1.00 44.01 H new ATOM 0 HG23 VAL A 26 -33.444 59.206 -26.228 1.00 44.01 H new ATOM 388 N LEU A 27 -35.602 59.550 -29.515 1.00 50.04 N ATOM 389 CA LEU A 27 -36.152 60.889 -29.704 1.00 33.45 C ATOM 390 C LEU A 27 -37.122 61.242 -28.579 1.00 3.40 C ATOM 391 O LEU A 27 -38.114 60.540 -28.398 1.00 30.44 O ATOM 392 CB LEU A 27 -36.862 60.985 -31.055 1.00 54.41 C ATOM 393 CG LEU A 27 -36.277 61.988 -32.051 1.00 35.42 C ATOM 394 CD1 LEU A 27 -36.523 63.412 -31.581 1.00 11.13 C ATOM 395 CD2 LEU A 27 -34.789 61.737 -32.246 1.00 32.12 C ATOM 0 H LEU A 27 -35.967 58.850 -30.161 1.00 50.04 H new ATOM 0 HA LEU A 27 -35.327 61.601 -29.684 1.00 33.45 H new ATOM 0 HB2 LEU A 27 -36.855 59.998 -31.517 1.00 54.41 H new ATOM 0 HB3 LEU A 27 -37.905 61.246 -30.877 1.00 54.41 H new ATOM 0 HG LEU A 27 -36.777 61.854 -33.010 1.00 35.42 H new ATOM 0 HD11 LEU A 27 -36.100 64.111 -32.302 1.00 11.13 H new ATOM 0 HD12 LEU A 27 -37.595 63.586 -31.493 1.00 11.13 H new ATOM 0 HD13 LEU A 27 -36.050 63.562 -30.610 1.00 11.13 H new ATOM 0 HD21 LEU A 27 -34.388 62.459 -32.957 1.00 32.12 H new ATOM 0 HD22 LEU A 27 -34.274 61.844 -31.291 1.00 32.12 H new ATOM 0 HD23 LEU A 27 -34.637 60.728 -32.629 1.00 32.12 H new ATOM 407 N CYS A 28 -36.817 62.311 -27.859 1.00 43.32 N ATOM 408 CA CYS A 28 -37.669 62.744 -26.764 1.00 22.34 C ATOM 409 C CYS A 28 -39.052 63.067 -27.332 1.00 15.23 C ATOM 410 O CYS A 28 -39.233 63.919 -28.203 1.00 70.23 O ATOM 411 CB CYS A 28 -37.066 63.934 -26.015 1.00 14.04 C ATOM 412 SG CYS A 28 -36.399 63.384 -24.402 1.00 23.14 S ATOM 0 H CYS A 28 -35.992 62.891 -28.012 1.00 43.32 H new ATOM 0 HA CYS A 28 -37.757 61.944 -26.029 1.00 22.34 H new ATOM 0 HB2 CYS A 28 -36.273 64.386 -26.611 1.00 14.04 H new ATOM 0 HB3 CYS A 28 -37.825 64.701 -25.862 1.00 14.04 H new ATOM 0 HG CYS A 28 -35.367 64.110 -24.089 1.00 23.14 H new ATOM 417 N PRO A 29 -40.061 62.353 -26.809 1.00 50.42 N ATOM 418 CA PRO A 29 -41.454 62.527 -27.229 1.00 22.43 C ATOM 419 C PRO A 29 -42.035 63.862 -26.775 1.00 50.11 C ATOM 420 O PRO A 29 -43.195 64.170 -27.050 1.00 21.35 O ATOM 421 CB PRO A 29 -42.178 61.367 -26.542 1.00 54.23 C ATOM 422 CG PRO A 29 -41.337 61.044 -25.356 1.00 70.42 C ATOM 423 CD PRO A 29 -39.917 61.322 -25.768 1.00 51.42 C ATOM 0 HA PRO A 29 -41.555 62.528 -28.314 1.00 22.43 H new ATOM 0 HB2 PRO A 29 -43.188 61.651 -26.246 1.00 54.23 H new ATOM 0 HB3 PRO A 29 -42.270 60.509 -27.207 1.00 54.23 H new ATOM 0 HG2 PRO A 29 -41.621 61.654 -24.498 1.00 70.42 H new ATOM 0 HG3 PRO A 29 -41.461 60.002 -25.061 1.00 70.42 H new ATOM 0 HD2 PRO A 29 -39.318 61.678 -24.930 1.00 51.42 H new ATOM 0 HD3 PRO A 29 -39.428 60.427 -26.153 1.00 51.42 H new ATOM 431 N ARG A 30 -41.221 64.649 -26.079 1.00 41.32 N ATOM 432 CA ARG A 30 -41.655 65.951 -25.588 1.00 73.20 C ATOM 433 C ARG A 30 -42.255 66.788 -26.714 1.00 63.23 C ATOM 434 O ARG A 30 -42.097 66.484 -27.897 1.00 71.35 O ATOM 435 CB ARG A 30 -40.479 66.698 -24.954 1.00 74.13 C ATOM 436 CG ARG A 30 -40.430 66.583 -23.440 1.00 13.40 C ATOM 437 CD ARG A 30 -39.850 65.248 -23.001 1.00 12.44 C ATOM 438 NE ARG A 30 -40.305 64.866 -21.667 1.00 42.14 N ATOM 439 CZ ARG A 30 -41.462 64.257 -21.431 1.00 11.51 C ATOM 440 NH1 ARG A 30 -42.278 63.965 -22.435 1.00 22.30 N ATOM 441 NH2 ARG A 30 -41.807 63.942 -20.190 1.00 22.53 N ATOM 0 H ARG A 30 -40.258 64.408 -25.843 1.00 41.32 H new ATOM 0 HA ARG A 30 -42.424 65.787 -24.833 1.00 73.20 H new ATOM 0 HB2 ARG A 30 -39.548 66.312 -25.370 1.00 74.13 H new ATOM 0 HB3 ARG A 30 -40.538 67.751 -25.228 1.00 74.13 H new ATOM 0 HG2 ARG A 30 -39.828 67.394 -23.032 1.00 13.40 H new ATOM 0 HG3 ARG A 30 -41.435 66.696 -23.033 1.00 13.40 H new ATOM 0 HD2 ARG A 30 -40.135 64.476 -23.716 1.00 12.44 H new ATOM 0 HD3 ARG A 30 -38.762 65.305 -23.010 1.00 12.44 H new ATOM 0 HE ARG A 30 -39.701 65.078 -20.873 1.00 42.14 H new ATOM 0 HH11 ARG A 30 -42.018 64.208 -23.391 1.00 22.30 H new ATOM 0 HH12 ARG A 30 -43.166 63.497 -22.251 1.00 22.30 H new ATOM 0 HH21 ARG A 30 -41.184 64.167 -19.415 1.00 22.53 H new ATOM 0 HH22 ARG A 30 -42.696 63.475 -20.011 1.00 22.53 H new ATOM 455 N PRO A 31 -42.961 67.865 -26.341 1.00 10.52 N ATOM 456 CA PRO A 31 -43.598 68.766 -27.306 1.00 63.53 C ATOM 457 C PRO A 31 -42.582 69.583 -28.096 1.00 2.03 C ATOM 458 O PRO A 31 -42.847 70.002 -29.222 1.00 72.03 O ATOM 459 CB PRO A 31 -44.451 69.682 -26.425 1.00 21.00 C ATOM 460 CG PRO A 31 -43.780 69.664 -25.096 1.00 25.53 C ATOM 461 CD PRO A 31 -43.189 68.288 -24.949 1.00 12.10 C ATOM 0 HA PRO A 31 -44.169 68.220 -28.057 1.00 63.53 H new ATOM 0 HB2 PRO A 31 -44.496 70.692 -26.832 1.00 21.00 H new ATOM 0 HB3 PRO A 31 -45.477 69.320 -26.355 1.00 21.00 H new ATOM 0 HG2 PRO A 31 -43.006 70.429 -25.039 1.00 25.53 H new ATOM 0 HG3 PRO A 31 -44.492 69.871 -24.297 1.00 25.53 H new ATOM 0 HD2 PRO A 31 -42.261 68.308 -24.378 1.00 12.10 H new ATOM 0 HD3 PRO A 31 -43.868 67.612 -24.430 1.00 12.10 H new ATOM 469 N GLY A 32 -41.415 69.807 -27.497 1.00 61.34 N ATOM 470 CA GLY A 32 -40.376 70.573 -28.160 1.00 1.11 C ATOM 471 C GLY A 32 -39.008 70.346 -27.549 1.00 13.34 C ATOM 472 O GLY A 32 -38.339 71.318 -27.201 1.00 23.01 O ATOM 0 H GLY A 32 -41.172 69.472 -26.565 1.00 61.34 H new ATOM 0 HA2 GLY A 32 -40.348 70.303 -29.216 1.00 1.11 H new ATOM 0 HA3 GLY A 32 -40.622 71.634 -28.108 1.00 1.11 H new ATOM 476 N CYS A 33 -38.621 69.086 -27.424 1.00 23.40 N ATOM 477 CA CYS A 33 -37.327 68.753 -26.849 1.00 55.23 C ATOM 478 C CYS A 33 -36.343 68.502 -27.993 1.00 40.51 C ATOM 479 O CYS A 33 -35.315 69.164 -28.125 1.00 64.21 O ATOM 480 CB CYS A 33 -37.423 67.554 -25.903 1.00 61.52 C ATOM 481 SG CYS A 33 -35.744 66.993 -25.434 1.00 43.44 S ATOM 0 H CYS A 33 -39.180 68.282 -27.711 1.00 23.40 H new ATOM 0 HA CYS A 33 -36.969 69.584 -26.242 1.00 55.23 H new ATOM 0 HB2 CYS A 33 -37.987 67.828 -25.011 1.00 61.52 H new ATOM 0 HB3 CYS A 33 -37.966 66.741 -26.386 1.00 61.52 H new ATOM 0 HG CYS A 33 -35.742 66.623 -24.188 1.00 43.44 H new ATOM 486 N GLY A 34 -36.684 67.522 -28.824 1.00 51.23 N ATOM 487 CA GLY A 34 -35.840 67.179 -29.953 1.00 3.03 C ATOM 488 C GLY A 34 -34.446 66.757 -29.527 1.00 74.41 C ATOM 489 O GLY A 34 -33.479 66.959 -30.260 1.00 32.44 O ATOM 0 H GLY A 34 -37.530 66.959 -28.735 1.00 51.23 H new ATOM 0 HA2 GLY A 34 -36.304 66.371 -30.518 1.00 3.03 H new ATOM 0 HA3 GLY A 34 -35.768 68.036 -30.623 1.00 3.03 H new ATOM 493 N ALA A 35 -34.346 66.169 -28.339 1.00 50.41 N ATOM 494 CA ALA A 35 -33.061 65.719 -27.818 1.00 33.42 C ATOM 495 C ALA A 35 -32.306 64.895 -28.855 1.00 73.25 C ATOM 496 O ALA A 35 -31.153 65.182 -29.170 1.00 51.55 O ATOM 497 CB ALA A 35 -33.264 64.910 -26.544 1.00 63.35 C ATOM 0 H ALA A 35 -35.138 65.994 -27.720 1.00 50.41 H new ATOM 0 HA ALA A 35 -32.462 66.599 -27.586 1.00 33.42 H new ATOM 0 HB1 ALA A 35 -32.297 64.580 -26.165 1.00 63.35 H new ATOM 0 HB2 ALA A 35 -33.755 65.530 -25.794 1.00 63.35 H new ATOM 0 HB3 ALA A 35 -33.885 64.041 -26.760 1.00 63.35 H new ATOM 503 N GLY A 36 -32.964 63.867 -29.382 1.00 53.01 N ATOM 504 CA GLY A 36 -32.340 63.018 -30.378 1.00 62.50 C ATOM 505 C GLY A 36 -30.848 62.863 -30.155 1.00 70.13 C ATOM 506 O GLY A 36 -30.059 62.951 -31.096 1.00 42.54 O ATOM 0 H GLY A 36 -33.919 63.607 -29.136 1.00 53.01 H new ATOM 0 HA2 GLY A 36 -32.811 62.035 -30.360 1.00 62.50 H new ATOM 0 HA3 GLY A 36 -32.515 63.437 -31.369 1.00 62.50 H new ATOM 510 N LEU A 37 -30.460 62.634 -28.905 1.00 5.42 N ATOM 511 CA LEU A 37 -29.052 62.469 -28.561 1.00 23.21 C ATOM 512 C LEU A 37 -28.735 61.009 -28.245 1.00 54.23 C ATOM 513 O LEU A 37 -29.604 60.258 -27.800 1.00 22.02 O ATOM 514 CB LEU A 37 -28.694 63.350 -27.363 1.00 44.13 C ATOM 515 CG LEU A 37 -29.703 63.368 -26.214 1.00 62.33 C ATOM 516 CD1 LEU A 37 -29.575 62.107 -25.373 1.00 52.21 C ATOM 517 CD2 LEU A 37 -29.513 64.607 -25.355 1.00 5.15 C ATOM 0 H LEU A 37 -31.100 62.558 -28.114 1.00 5.42 H new ATOM 0 HA LEU A 37 -28.455 62.773 -29.421 1.00 23.21 H new ATOM 0 HB2 LEU A 37 -27.733 63.020 -26.970 1.00 44.13 H new ATOM 0 HB3 LEU A 37 -28.559 64.372 -27.717 1.00 44.13 H new ATOM 0 HG LEU A 37 -30.707 63.397 -26.638 1.00 62.33 H new ATOM 0 HD11 LEU A 37 -30.300 62.137 -24.560 1.00 52.21 H new ATOM 0 HD12 LEU A 37 -29.764 61.233 -25.996 1.00 52.21 H new ATOM 0 HD13 LEU A 37 -28.568 62.046 -24.959 1.00 52.21 H new ATOM 0 HD21 LEU A 37 -30.240 64.602 -24.543 1.00 5.15 H new ATOM 0 HD22 LEU A 37 -28.505 64.611 -24.940 1.00 5.15 H new ATOM 0 HD23 LEU A 37 -29.657 65.499 -25.965 1.00 5.15 H new ATOM 529 N LEU A 38 -27.488 60.617 -28.475 1.00 61.41 N ATOM 530 CA LEU A 38 -27.056 59.249 -28.213 1.00 41.05 C ATOM 531 C LEU A 38 -26.336 59.152 -26.873 1.00 2.55 C ATOM 532 O LEU A 38 -25.171 59.528 -26.739 1.00 21.34 O ATOM 533 CB LEU A 38 -26.138 58.760 -29.335 1.00 34.21 C ATOM 534 CG LEU A 38 -26.794 57.887 -30.406 1.00 71.34 C ATOM 535 CD1 LEU A 38 -27.351 56.613 -29.790 1.00 22.20 C ATOM 536 CD2 LEU A 38 -27.892 58.659 -31.124 1.00 22.32 C ATOM 0 H LEU A 38 -26.758 61.227 -28.842 1.00 61.41 H new ATOM 0 HA LEU A 38 -27.942 58.616 -28.174 1.00 41.05 H new ATOM 0 HB2 LEU A 38 -25.698 59.630 -29.823 1.00 34.21 H new ATOM 0 HB3 LEU A 38 -25.319 58.197 -28.888 1.00 34.21 H new ATOM 0 HG LEU A 38 -26.034 57.610 -31.137 1.00 71.34 H new ATOM 0 HD11 LEU A 38 -27.814 56.005 -30.567 1.00 22.20 H new ATOM 0 HD12 LEU A 38 -26.542 56.051 -29.323 1.00 22.20 H new ATOM 0 HD13 LEU A 38 -28.097 56.869 -29.037 1.00 22.20 H new ATOM 0 HD21 LEU A 38 -28.348 58.023 -31.883 1.00 22.32 H new ATOM 0 HD22 LEU A 38 -28.651 58.966 -30.404 1.00 22.32 H new ATOM 0 HD23 LEU A 38 -27.465 59.542 -31.600 1.00 22.32 H new ATOM 548 N PRO A 39 -27.042 58.635 -25.857 1.00 4.30 N ATOM 549 CA PRO A 39 -26.488 58.475 -24.508 1.00 73.40 C ATOM 550 C PRO A 39 -25.420 57.390 -24.446 1.00 2.33 C ATOM 551 O PRO A 39 -25.181 56.683 -25.426 1.00 73.11 O ATOM 552 CB PRO A 39 -27.705 58.075 -23.670 1.00 12.00 C ATOM 553 CG PRO A 39 -28.644 57.447 -24.642 1.00 32.51 C ATOM 554 CD PRO A 39 -28.435 58.168 -25.945 1.00 21.34 C ATOM 0 HA PRO A 39 -25.993 59.382 -24.160 1.00 73.40 H new ATOM 0 HB2 PRO A 39 -27.429 57.378 -22.879 1.00 12.00 H new ATOM 0 HB3 PRO A 39 -28.156 58.942 -23.188 1.00 12.00 H new ATOM 0 HG2 PRO A 39 -28.440 56.382 -24.749 1.00 32.51 H new ATOM 0 HG3 PRO A 39 -29.676 57.542 -24.305 1.00 32.51 H new ATOM 0 HD2 PRO A 39 -28.584 57.507 -26.799 1.00 21.34 H new ATOM 0 HD3 PRO A 39 -29.131 58.999 -26.060 1.00 21.34 H new ATOM 562 N GLU A 40 -24.777 57.262 -23.289 1.00 32.35 N ATOM 563 CA GLU A 40 -23.733 56.262 -23.101 1.00 34.24 C ATOM 564 C GLU A 40 -24.226 54.877 -23.511 1.00 32.34 C ATOM 565 O GLU A 40 -25.424 54.592 -23.515 1.00 42.22 O ATOM 566 CB GLU A 40 -23.274 56.241 -21.641 1.00 30.20 C ATOM 567 CG GLU A 40 -22.542 57.501 -21.214 1.00 53.31 C ATOM 568 CD GLU A 40 -21.092 57.244 -20.858 1.00 21.22 C ATOM 569 OE1 GLU A 40 -20.548 56.208 -21.296 1.00 34.10 O ATOM 570 OE2 GLU A 40 -20.500 58.077 -20.140 1.00 75.13 O ATOM 0 H GLU A 40 -24.961 57.839 -22.468 1.00 32.35 H new ATOM 0 HA GLU A 40 -22.889 56.531 -23.736 1.00 34.24 H new ATOM 0 HB2 GLU A 40 -24.143 56.100 -20.998 1.00 30.20 H new ATOM 0 HB3 GLU A 40 -22.621 55.382 -21.487 1.00 30.20 H new ATOM 0 HG2 GLU A 40 -22.589 58.234 -22.019 1.00 53.31 H new ATOM 0 HG3 GLU A 40 -23.051 57.938 -20.355 1.00 53.31 H new ATOM 577 N PRO A 41 -23.281 53.995 -23.867 1.00 22.12 N ATOM 578 CA PRO A 41 -23.593 52.625 -24.285 1.00 54.53 C ATOM 579 C PRO A 41 -24.099 51.767 -23.130 1.00 1.03 C ATOM 580 O PRO A 41 -24.193 50.544 -23.247 1.00 5.42 O ATOM 581 CB PRO A 41 -22.251 52.096 -24.796 1.00 41.24 C ATOM 582 CG PRO A 41 -21.226 52.903 -24.078 1.00 2.44 C ATOM 583 CD PRO A 41 -21.834 54.266 -23.885 1.00 44.30 C ATOM 0 HA PRO A 41 -24.389 52.597 -25.029 1.00 54.53 H new ATOM 0 HB2 PRO A 41 -22.138 51.033 -24.583 1.00 41.24 H new ATOM 0 HB3 PRO A 41 -22.164 52.216 -25.876 1.00 41.24 H new ATOM 0 HG2 PRO A 41 -20.973 52.449 -23.120 1.00 2.44 H new ATOM 0 HG3 PRO A 41 -20.303 52.965 -24.655 1.00 2.44 H new ATOM 0 HD2 PRO A 41 -21.500 54.727 -22.955 1.00 44.30 H new ATOM 0 HD3 PRO A 41 -21.562 54.945 -24.693 1.00 44.30 H new ATOM 591 N ASP A 42 -24.425 52.414 -22.016 1.00 44.25 N ATOM 592 CA ASP A 42 -24.922 51.710 -20.840 1.00 43.44 C ATOM 593 C ASP A 42 -26.190 52.370 -20.308 1.00 33.32 C ATOM 594 O ASP A 42 -26.162 53.514 -19.855 1.00 61.03 O ATOM 595 CB ASP A 42 -23.851 51.677 -19.749 1.00 75.21 C ATOM 596 CG ASP A 42 -22.742 52.678 -19.996 1.00 43.20 C ATOM 597 OD1 ASP A 42 -21.992 52.503 -20.979 1.00 51.14 O ATOM 598 OD2 ASP A 42 -22.622 53.638 -19.206 1.00 43.11 O ATOM 0 H ASP A 42 -24.354 53.425 -21.903 1.00 44.25 H new ATOM 0 HA ASP A 42 -25.162 50.688 -21.132 1.00 43.44 H new ATOM 0 HB2 ASP A 42 -24.314 51.883 -18.784 1.00 75.21 H new ATOM 0 HB3 ASP A 42 -23.426 50.675 -19.692 1.00 75.21 H new ATOM 603 N GLN A 43 -27.301 51.642 -20.368 1.00 63.23 N ATOM 604 CA GLN A 43 -28.579 52.159 -19.894 1.00 12.44 C ATOM 605 C GLN A 43 -28.543 52.402 -18.389 1.00 23.02 C ATOM 606 O GLN A 43 -29.502 52.913 -17.809 1.00 24.33 O ATOM 607 CB GLN A 43 -29.706 51.184 -20.238 1.00 11.42 C ATOM 608 CG GLN A 43 -29.646 49.883 -19.457 1.00 33.22 C ATOM 609 CD GLN A 43 -29.191 48.713 -20.306 1.00 64.34 C ATOM 610 OE1 GLN A 43 -29.080 48.823 -21.527 1.00 41.41 O ATOM 611 NE2 GLN A 43 -28.923 47.582 -19.663 1.00 13.20 N ATOM 0 H GLN A 43 -27.341 50.693 -20.740 1.00 63.23 H new ATOM 0 HA GLN A 43 -28.766 53.110 -20.393 1.00 12.44 H new ATOM 0 HB2 GLN A 43 -30.664 51.668 -20.048 1.00 11.42 H new ATOM 0 HB3 GLN A 43 -29.668 50.960 -21.304 1.00 11.42 H new ATOM 0 HG2 GLN A 43 -28.966 50.001 -18.614 1.00 33.22 H new ATOM 0 HG3 GLN A 43 -30.631 49.666 -19.044 1.00 33.22 H new ATOM 0 HE21 GLN A 43 -29.028 47.534 -18.650 1.00 13.20 H new ATOM 0 HE22 GLN A 43 -28.612 46.761 -20.183 1.00 13.20 H new ATOM 620 N ARG A 44 -27.431 52.030 -17.762 1.00 13.45 N ATOM 621 CA ARG A 44 -27.272 52.207 -16.322 1.00 31.22 C ATOM 622 C ARG A 44 -27.816 53.561 -15.876 1.00 25.22 C ATOM 623 O ARG A 44 -28.528 53.657 -14.878 1.00 35.31 O ATOM 624 CB ARG A 44 -25.797 52.085 -15.933 1.00 32.44 C ATOM 625 CG ARG A 44 -25.154 50.782 -16.383 1.00 10.00 C ATOM 626 CD ARG A 44 -25.692 49.595 -15.598 1.00 54.25 C ATOM 627 NE ARG A 44 -27.092 49.321 -15.914 1.00 22.44 N ATOM 628 CZ ARG A 44 -27.920 48.689 -15.089 1.00 72.25 C ATOM 629 NH1 ARG A 44 -27.493 48.271 -13.907 1.00 61.10 N ATOM 630 NH2 ARG A 44 -29.180 48.476 -15.449 1.00 10.14 N ATOM 0 H ARG A 44 -26.629 51.605 -18.227 1.00 13.45 H new ATOM 0 HA ARG A 44 -27.840 51.424 -15.820 1.00 31.22 H new ATOM 0 HB2 ARG A 44 -25.246 52.920 -16.365 1.00 32.44 H new ATOM 0 HB3 ARG A 44 -25.707 52.170 -14.850 1.00 32.44 H new ATOM 0 HG2 ARG A 44 -25.341 50.631 -17.446 1.00 10.00 H new ATOM 0 HG3 ARG A 44 -24.073 50.845 -16.255 1.00 10.00 H new ATOM 0 HD2 ARG A 44 -25.091 48.712 -15.817 1.00 54.25 H new ATOM 0 HD3 ARG A 44 -25.593 49.791 -14.530 1.00 54.25 H new ATOM 0 HE ARG A 44 -27.453 49.631 -16.816 1.00 22.44 H new ATOM 0 HH11 ARG A 44 -26.526 48.434 -13.627 1.00 61.10 H new ATOM 0 HH12 ARG A 44 -28.131 47.786 -13.276 1.00 61.10 H new ATOM 0 HH21 ARG A 44 -29.512 48.797 -16.358 1.00 10.14 H new ATOM 0 HH22 ARG A 44 -29.816 47.991 -14.816 1.00 10.14 H new ATOM 644 N LYS A 45 -27.474 54.606 -16.623 1.00 62.51 N ATOM 645 CA LYS A 45 -27.928 55.955 -16.306 1.00 22.02 C ATOM 646 C LYS A 45 -27.878 56.849 -17.541 1.00 31.22 C ATOM 647 O LYS A 45 -26.810 57.312 -17.943 1.00 10.04 O ATOM 648 CB LYS A 45 -27.067 56.556 -15.193 1.00 74.00 C ATOM 649 CG LYS A 45 -27.876 57.163 -14.060 1.00 51.23 C ATOM 650 CD LYS A 45 -28.077 58.657 -14.257 1.00 34.51 C ATOM 651 CE LYS A 45 -28.614 59.317 -12.997 1.00 71.13 C ATOM 652 NZ LYS A 45 -29.566 60.419 -13.311 1.00 73.33 N ATOM 0 H LYS A 45 -26.884 54.544 -17.452 1.00 62.51 H new ATOM 0 HA LYS A 45 -28.961 55.894 -15.965 1.00 22.02 H new ATOM 0 HB2 LYS A 45 -26.417 55.780 -14.789 1.00 74.00 H new ATOM 0 HB3 LYS A 45 -26.421 57.324 -15.619 1.00 74.00 H new ATOM 0 HG2 LYS A 45 -28.846 56.669 -13.999 1.00 51.23 H new ATOM 0 HG3 LYS A 45 -27.367 56.985 -13.112 1.00 51.23 H new ATOM 0 HD2 LYS A 45 -27.130 59.119 -14.536 1.00 34.51 H new ATOM 0 HD3 LYS A 45 -28.770 58.827 -15.081 1.00 34.51 H new ATOM 0 HE2 LYS A 45 -29.114 58.570 -12.380 1.00 71.13 H new ATOM 0 HE3 LYS A 45 -27.784 59.710 -12.411 1.00 71.13 H new ATOM 0 HZ1 LYS A 45 -29.609 61.080 -12.509 1.00 73.33 H new ATOM 0 HZ2 LYS A 45 -29.243 60.926 -14.160 1.00 73.33 H new ATOM 0 HZ3 LYS A 45 -30.512 60.022 -13.484 1.00 73.33 H new ATOM 666 N VAL A 46 -29.040 57.089 -18.139 1.00 70.12 N ATOM 667 CA VAL A 46 -29.129 57.930 -19.326 1.00 53.24 C ATOM 668 C VAL A 46 -29.935 59.194 -19.045 1.00 61.34 C ATOM 669 O VAL A 46 -31.098 59.128 -18.648 1.00 32.24 O ATOM 670 CB VAL A 46 -29.777 57.175 -20.502 1.00 65.45 C ATOM 671 CG1 VAL A 46 -30.402 58.152 -21.486 1.00 75.21 C ATOM 672 CG2 VAL A 46 -28.750 56.291 -21.197 1.00 20.55 C ATOM 0 H VAL A 46 -29.933 56.713 -17.821 1.00 70.12 H new ATOM 0 HA VAL A 46 -28.109 58.204 -19.596 1.00 53.24 H new ATOM 0 HB VAL A 46 -30.568 56.537 -20.109 1.00 65.45 H new ATOM 0 HG11 VAL A 46 -30.855 57.600 -22.309 1.00 75.21 H new ATOM 0 HG12 VAL A 46 -31.168 58.739 -20.979 1.00 75.21 H new ATOM 0 HG13 VAL A 46 -29.632 58.818 -21.876 1.00 75.21 H new ATOM 0 HG21 VAL A 46 -29.224 55.765 -22.025 1.00 20.55 H new ATOM 0 HG22 VAL A 46 -27.936 56.909 -21.578 1.00 20.55 H new ATOM 0 HG23 VAL A 46 -28.353 55.566 -20.486 1.00 20.55 H new ATOM 682 N THR A 47 -29.307 60.348 -19.254 1.00 61.41 N ATOM 683 CA THR A 47 -29.965 61.627 -19.024 1.00 0.14 C ATOM 684 C THR A 47 -30.192 62.373 -20.334 1.00 74.21 C ATOM 685 O THR A 47 -29.438 62.167 -21.282 1.00 65.22 O ATOM 686 CB THR A 47 -29.140 62.518 -18.076 1.00 12.04 C ATOM 687 OG1 THR A 47 -28.595 61.730 -17.013 1.00 14.33 O ATOM 688 CG2 THR A 47 -29.999 63.634 -17.498 1.00 64.24 C ATOM 0 H THR A 47 -28.344 60.422 -19.582 1.00 61.41 H new ATOM 0 HA THR A 47 -30.928 61.409 -18.562 1.00 0.14 H new ATOM 0 HB THR A 47 -28.328 62.965 -18.649 1.00 12.04 H new ATOM 0 HG1 THR A 47 -28.071 62.304 -16.416 1.00 14.33 H new ATOM 0 HG21 THR A 47 -29.395 64.250 -16.832 1.00 64.24 H new ATOM 0 HG22 THR A 47 -30.389 64.250 -18.308 1.00 64.24 H new ATOM 0 HG23 THR A 47 -30.829 63.202 -16.939 1.00 64.24 H new ATOM 696 N CYS A 48 -31.216 63.214 -20.358 1.00 32.02 N ATOM 697 CA CYS A 48 -31.528 63.980 -21.552 1.00 63.13 C ATOM 698 C CYS A 48 -30.663 65.241 -21.554 1.00 4.21 C ATOM 699 O CYS A 48 -30.840 66.151 -22.363 1.00 4.30 O ATOM 700 CB CYS A 48 -33.020 64.308 -21.640 1.00 4.42 C ATOM 701 SG CYS A 48 -33.355 65.293 -23.147 1.00 31.31 S ATOM 0 H CYS A 48 -31.840 63.381 -19.569 1.00 32.02 H new ATOM 0 HA CYS A 48 -31.302 63.386 -22.438 1.00 63.13 H new ATOM 0 HB2 CYS A 48 -33.603 63.387 -21.660 1.00 4.42 H new ATOM 0 HB3 CYS A 48 -33.332 64.863 -20.755 1.00 4.42 H new ATOM 0 HG CYS A 48 -32.345 66.075 -23.388 1.00 31.31 H new ATOM 706 N GLU A 49 -29.717 65.276 -20.621 1.00 71.54 N ATOM 707 CA GLU A 49 -28.812 66.411 -20.493 1.00 44.32 C ATOM 708 C GLU A 49 -27.425 66.066 -21.028 1.00 53.00 C ATOM 709 O GLU A 49 -27.171 64.935 -21.439 1.00 21.31 O ATOM 710 CB GLU A 49 -28.711 66.848 -19.030 1.00 51.23 C ATOM 711 CG GLU A 49 -30.060 67.075 -18.369 1.00 13.40 C ATOM 712 CD GLU A 49 -30.056 68.264 -17.427 1.00 13.44 C ATOM 713 OE1 GLU A 49 -28.969 68.619 -16.928 1.00 14.44 O ATOM 714 OE2 GLU A 49 -31.140 68.838 -17.190 1.00 74.14 O ATOM 0 H GLU A 49 -29.558 64.531 -19.943 1.00 71.54 H new ATOM 0 HA GLU A 49 -29.216 67.233 -21.084 1.00 44.32 H new ATOM 0 HB2 GLU A 49 -28.164 66.090 -18.470 1.00 51.23 H new ATOM 0 HB3 GLU A 49 -28.129 67.768 -18.973 1.00 51.23 H new ATOM 0 HG2 GLU A 49 -30.816 67.229 -19.139 1.00 13.40 H new ATOM 0 HG3 GLU A 49 -30.345 66.180 -17.817 1.00 13.40 H new ATOM 775 N GLY A 55 -31.934 69.640 -21.747 1.00 73.44 N ATOM 776 CA GLY A 55 -31.975 68.783 -20.578 1.00 25.21 C ATOM 777 C GLY A 55 -33.365 68.678 -19.982 1.00 52.21 C ATOM 778 O GLY A 55 -33.809 69.622 -19.330 1.00 61.13 O ATOM 0 HA2 GLY A 55 -31.624 67.787 -20.849 1.00 25.21 H new ATOM 0 HA3 GLY A 55 -31.289 69.169 -19.824 1.00 25.21 H new ATOM 782 N CYS A 56 -34.022 67.551 -20.213 1.00 4.10 N ATOM 783 CA CYS A 56 -35.362 67.344 -19.692 1.00 1.30 C ATOM 784 C CYS A 56 -35.299 67.415 -18.165 1.00 24.34 C ATOM 785 O CYS A 56 -36.177 67.964 -17.500 1.00 62.41 O ATOM 786 CB CYS A 56 -35.960 66.023 -20.179 1.00 73.21 C ATOM 787 SG CYS A 56 -36.609 66.219 -21.879 1.00 64.42 S ATOM 0 H CYS A 56 -33.650 66.771 -20.755 1.00 4.10 H new ATOM 0 HA CYS A 56 -36.025 68.125 -20.064 1.00 1.30 H new ATOM 0 HB2 CYS A 56 -35.201 65.241 -20.159 1.00 73.21 H new ATOM 0 HB3 CYS A 56 -36.760 65.708 -19.509 1.00 73.21 H new ATOM 0 HG CYS A 56 -36.438 65.112 -22.539 1.00 64.42 H new ATOM 792 N GLY A 57 -34.231 66.840 -17.618 1.00 63.15 N ATOM 793 CA GLY A 57 -34.046 66.833 -16.180 1.00 62.33 C ATOM 794 C GLY A 57 -34.434 65.509 -15.551 1.00 51.14 C ATOM 795 O GLY A 57 -34.579 65.411 -14.332 1.00 74.11 O ATOM 0 H GLY A 57 -33.491 66.379 -18.147 1.00 63.15 H new ATOM 0 HA2 GLY A 57 -33.003 67.049 -15.950 1.00 62.33 H new ATOM 0 HA3 GLY A 57 -34.642 67.631 -15.736 1.00 62.33 H new ATOM 799 N PHE A 58 -34.603 64.488 -16.384 1.00 35.22 N ATOM 800 CA PHE A 58 -34.980 63.164 -15.903 1.00 0.21 C ATOM 801 C PHE A 58 -34.311 62.073 -16.734 1.00 62.35 C ATOM 802 O PHE A 58 -34.507 61.993 -17.946 1.00 45.13 O ATOM 803 CB PHE A 58 -36.501 62.994 -15.947 1.00 43.31 C ATOM 804 CG PHE A 58 -36.991 61.791 -15.196 1.00 34.32 C ATOM 805 CD1 PHE A 58 -37.071 60.554 -15.816 1.00 21.20 C ATOM 806 CD2 PHE A 58 -37.375 61.896 -13.869 1.00 12.22 C ATOM 807 CE1 PHE A 58 -37.523 59.445 -15.127 1.00 3.43 C ATOM 808 CE2 PHE A 58 -37.826 60.790 -13.174 1.00 72.24 C ATOM 809 CZ PHE A 58 -37.902 59.563 -13.804 1.00 22.32 C ATOM 0 H PHE A 58 -34.485 64.552 -17.395 1.00 35.22 H new ATOM 0 HA PHE A 58 -34.641 63.070 -14.871 1.00 0.21 H new ATOM 0 HB2 PHE A 58 -36.970 63.887 -15.533 1.00 43.31 H new ATOM 0 HB3 PHE A 58 -36.820 62.918 -16.986 1.00 43.31 H new ATOM 0 HD1 PHE A 58 -36.776 60.456 -16.850 1.00 21.20 H new ATOM 0 HD2 PHE A 58 -37.321 62.853 -13.372 1.00 12.22 H new ATOM 0 HE1 PHE A 58 -37.580 58.487 -15.622 1.00 3.43 H new ATOM 0 HE2 PHE A 58 -38.119 60.885 -12.139 1.00 72.24 H new ATOM 0 HZ PHE A 58 -38.257 58.698 -13.263 1.00 22.32 H new ATOM 819 N ALA A 59 -33.520 61.234 -16.072 1.00 55.04 N ATOM 820 CA ALA A 59 -32.824 60.146 -16.749 1.00 52.02 C ATOM 821 C ALA A 59 -33.760 58.971 -17.006 1.00 65.34 C ATOM 822 O ALA A 59 -34.600 58.638 -16.169 1.00 74.25 O ATOM 823 CB ALA A 59 -31.623 59.699 -15.928 1.00 71.04 C ATOM 0 H ALA A 59 -33.345 61.287 -15.068 1.00 55.04 H new ATOM 0 HA ALA A 59 -32.475 60.514 -17.714 1.00 52.02 H new ATOM 0 HB1 ALA A 59 -31.112 58.886 -16.444 1.00 71.04 H new ATOM 0 HB2 ALA A 59 -30.937 60.537 -15.801 1.00 71.04 H new ATOM 0 HB3 ALA A 59 -31.959 59.354 -14.950 1.00 71.04 H new ATOM 829 N PHE A 60 -33.610 58.344 -18.169 1.00 3.24 N ATOM 830 CA PHE A 60 -34.443 57.205 -18.536 1.00 54.34 C ATOM 831 C PHE A 60 -33.587 55.974 -18.819 1.00 42.04 C ATOM 832 O PHE A 60 -32.363 56.085 -18.848 1.00 70.12 O ATOM 833 CB PHE A 60 -35.292 57.544 -19.764 1.00 31.31 C ATOM 834 CG PHE A 60 -34.484 58.008 -20.941 1.00 63.03 C ATOM 835 CD1 PHE A 60 -33.797 59.210 -20.896 1.00 53.11 C ATOM 836 CD2 PHE A 60 -34.413 57.242 -22.095 1.00 15.02 C ATOM 837 CE1 PHE A 60 -33.053 59.641 -21.978 1.00 72.14 C ATOM 838 CE2 PHE A 60 -33.670 57.668 -23.180 1.00 32.44 C ATOM 839 CZ PHE A 60 -32.990 58.869 -23.122 1.00 73.43 C ATOM 0 H PHE A 60 -32.920 58.606 -18.873 1.00 3.24 H new ATOM 0 HA PHE A 60 -35.102 56.982 -17.697 1.00 54.34 H new ATOM 0 HB2 PHE A 60 -35.867 56.664 -20.052 1.00 31.31 H new ATOM 0 HB3 PHE A 60 -36.009 58.320 -19.497 1.00 31.31 H new ATOM 0 HD1 PHE A 60 -33.843 59.818 -20.004 1.00 53.11 H new ATOM 0 HD2 PHE A 60 -34.944 56.303 -22.146 1.00 15.02 H new ATOM 0 HE1 PHE A 60 -32.522 60.580 -21.929 1.00 72.14 H new ATOM 0 HE2 PHE A 60 -33.621 57.062 -24.073 1.00 32.44 H new ATOM 0 HZ PHE A 60 -32.410 59.204 -23.969 1.00 73.43 H new ATOM 849 N CYS A 61 -34.243 54.840 -19.018 1.00 54.33 N ATOM 850 CA CYS A 61 -33.533 53.603 -19.295 1.00 25.13 C ATOM 851 C CYS A 61 -33.498 53.398 -20.811 1.00 71.13 C ATOM 852 O CYS A 61 -34.499 53.067 -21.447 1.00 23.22 O ATOM 853 CB CYS A 61 -34.167 52.413 -18.572 1.00 43.15 C ATOM 854 SG CYS A 61 -33.457 50.849 -19.203 1.00 35.52 S ATOM 0 H CYS A 61 -35.259 54.752 -18.993 1.00 54.33 H new ATOM 0 HA CYS A 61 -32.514 53.673 -18.916 1.00 25.13 H new ATOM 0 HB2 CYS A 61 -33.994 52.494 -17.499 1.00 43.15 H new ATOM 0 HB3 CYS A 61 -35.247 52.419 -18.722 1.00 43.15 H new ATOM 0 HG CYS A 61 -33.466 49.956 -18.258 1.00 35.52 H new ATOM 859 N ARG A 62 -32.315 53.604 -21.378 1.00 52.35 N ATOM 860 CA ARG A 62 -32.120 53.451 -22.816 1.00 10.55 C ATOM 861 C ARG A 62 -32.639 52.098 -23.292 1.00 54.15 C ATOM 862 O ARG A 62 -33.307 52.007 -24.322 1.00 11.25 O ATOM 863 CB ARG A 62 -30.638 53.595 -23.168 1.00 45.15 C ATOM 864 CG ARG A 62 -30.381 53.754 -24.658 1.00 21.34 C ATOM 865 CD ARG A 62 -29.029 53.180 -25.053 1.00 22.01 C ATOM 866 NE ARG A 62 -28.471 53.848 -26.225 1.00 10.30 N ATOM 867 CZ ARG A 62 -27.261 53.596 -26.709 1.00 4.23 C ATOM 868 NH1 ARG A 62 -26.484 52.694 -26.125 1.00 5.11 N ATOM 869 NH2 ARG A 62 -26.824 54.247 -27.780 1.00 42.22 N ATOM 0 H ARG A 62 -31.477 53.877 -20.865 1.00 52.35 H new ATOM 0 HA ARG A 62 -32.684 54.235 -23.321 1.00 10.55 H new ATOM 0 HB2 ARG A 62 -30.230 54.459 -22.643 1.00 45.15 H new ATOM 0 HB3 ARG A 62 -30.100 52.719 -22.806 1.00 45.15 H new ATOM 0 HG2 ARG A 62 -31.169 53.253 -25.220 1.00 21.34 H new ATOM 0 HG3 ARG A 62 -30.422 54.810 -24.925 1.00 21.34 H new ATOM 0 HD2 ARG A 62 -28.336 53.276 -24.217 1.00 22.01 H new ATOM 0 HD3 ARG A 62 -29.134 52.115 -25.259 1.00 22.01 H new ATOM 0 HE ARG A 62 -29.043 54.547 -26.698 1.00 10.30 H new ATOM 0 HH11 ARG A 62 -26.816 52.192 -25.302 1.00 5.11 H new ATOM 0 HH12 ARG A 62 -25.555 52.502 -26.499 1.00 5.11 H new ATOM 0 HH21 ARG A 62 -27.418 54.942 -28.232 1.00 42.22 H new ATOM 0 HH22 ARG A 62 -25.894 54.052 -28.151 1.00 42.22 H new ATOM 883 N GLU A 63 -32.324 51.049 -22.538 1.00 14.43 N ATOM 884 CA GLU A 63 -32.758 49.701 -22.886 1.00 31.02 C ATOM 885 C GLU A 63 -34.212 49.699 -23.346 1.00 42.45 C ATOM 886 O GLU A 63 -34.479 49.377 -24.504 1.00 61.21 O ATOM 887 CB GLU A 63 -32.589 48.763 -21.689 1.00 42.31 C ATOM 888 CG GLU A 63 -31.740 47.539 -21.991 1.00 4.41 C ATOM 889 CD GLU A 63 -32.538 46.251 -21.950 1.00 71.50 C ATOM 890 OE1 GLU A 63 -32.634 45.648 -20.860 1.00 3.15 O ATOM 891 OE2 GLU A 63 -33.066 45.845 -23.005 1.00 63.35 O ATOM 0 H GLU A 63 -31.770 51.107 -21.683 1.00 14.43 H new ATOM 0 HA GLU A 63 -32.135 49.347 -23.707 1.00 31.02 H new ATOM 0 HB2 GLU A 63 -32.135 49.316 -20.866 1.00 42.31 H new ATOM 0 HB3 GLU A 63 -33.573 48.438 -21.351 1.00 42.31 H new ATOM 0 HG2 GLU A 63 -31.287 47.650 -22.976 1.00 4.41 H new ATOM 0 HG3 GLU A 63 -30.925 47.480 -21.270 1.00 4.41 H new ATOM 898 N CYS A 64 -35.112 50.056 -22.441 1.00 73.33 N ATOM 899 CA CYS A 64 -36.528 50.089 -22.766 1.00 22.24 C ATOM 900 C CYS A 64 -36.880 51.504 -23.230 1.00 13.10 C ATOM 901 O CYS A 64 -38.029 51.823 -23.541 1.00 5.12 O ATOM 902 CB CYS A 64 -37.391 49.645 -21.583 1.00 70.45 C ATOM 903 SG CYS A 64 -36.923 50.580 -20.081 1.00 15.30 S ATOM 0 H CYS A 64 -34.888 50.325 -21.483 1.00 73.33 H new ATOM 0 HA CYS A 64 -36.737 49.381 -23.568 1.00 22.24 H new ATOM 0 HB2 CYS A 64 -38.445 49.808 -21.809 1.00 70.45 H new ATOM 0 HB3 CYS A 64 -37.264 48.576 -21.410 1.00 70.45 H new ATOM 0 HG CYS A 64 -35.647 50.452 -19.870 1.00 15.30 H new ATOM 908 N LYS A 65 -35.858 52.353 -23.269 1.00 31.14 N ATOM 909 CA LYS A 65 -36.031 53.738 -23.689 1.00 63.22 C ATOM 910 C LYS A 65 -37.256 54.361 -23.028 1.00 12.11 C ATOM 911 O LYS A 65 -37.917 55.220 -23.610 1.00 60.33 O ATOM 912 CB LYS A 65 -36.165 53.818 -25.212 1.00 65.12 C ATOM 913 CG LYS A 65 -37.123 52.791 -25.792 1.00 70.20 C ATOM 914 CD LYS A 65 -37.208 52.901 -27.305 1.00 40.24 C ATOM 915 CE LYS A 65 -38.653 52.939 -27.780 1.00 44.41 C ATOM 916 NZ LYS A 65 -39.248 51.577 -27.856 1.00 74.44 N ATOM 0 H LYS A 65 -34.902 52.106 -23.015 1.00 31.14 H new ATOM 0 HA LYS A 65 -35.149 54.297 -23.377 1.00 63.22 H new ATOM 0 HB2 LYS A 65 -36.506 54.816 -25.487 1.00 65.12 H new ATOM 0 HB3 LYS A 65 -35.182 53.681 -25.663 1.00 65.12 H new ATOM 0 HG2 LYS A 65 -36.794 51.789 -25.517 1.00 70.20 H new ATOM 0 HG3 LYS A 65 -38.114 52.931 -25.360 1.00 70.20 H new ATOM 0 HD2 LYS A 65 -36.691 53.802 -27.635 1.00 40.24 H new ATOM 0 HD3 LYS A 65 -36.696 52.054 -27.762 1.00 40.24 H new ATOM 0 HE2 LYS A 65 -39.242 53.555 -27.101 1.00 44.41 H new ATOM 0 HE3 LYS A 65 -38.700 53.411 -28.761 1.00 44.41 H new ATOM 0 HZ1 LYS A 65 -40.233 51.646 -28.183 1.00 74.44 H new ATOM 0 HZ2 LYS A 65 -38.701 50.996 -28.523 1.00 74.44 H new ATOM 0 HZ3 LYS A 65 -39.226 51.136 -26.915 1.00 74.44 H new ATOM 930 N GLU A 66 -37.550 53.924 -21.808 1.00 33.31 N ATOM 931 CA GLU A 66 -38.696 54.439 -21.068 1.00 23.44 C ATOM 932 C GLU A 66 -38.263 54.995 -19.713 1.00 75.20 C ATOM 933 O GLU A 66 -37.082 54.967 -19.368 1.00 54.32 O ATOM 934 CB GLU A 66 -39.740 53.339 -20.870 1.00 13.04 C ATOM 935 CG GLU A 66 -40.903 53.420 -21.844 1.00 2.32 C ATOM 936 CD GLU A 66 -42.051 52.506 -21.462 1.00 44.32 C ATOM 937 OE1 GLU A 66 -41.996 51.309 -21.811 1.00 11.01 O ATOM 938 OE2 GLU A 66 -43.001 52.988 -20.812 1.00 51.51 O ATOM 0 H GLU A 66 -37.011 53.215 -21.311 1.00 33.31 H new ATOM 0 HA GLU A 66 -39.138 55.248 -21.650 1.00 23.44 H new ATOM 0 HB2 GLU A 66 -39.256 52.368 -20.975 1.00 13.04 H new ATOM 0 HB3 GLU A 66 -40.125 53.395 -19.852 1.00 13.04 H new ATOM 0 HG2 GLU A 66 -41.262 54.448 -21.890 1.00 2.32 H new ATOM 0 HG3 GLU A 66 -40.554 53.160 -22.843 1.00 2.32 H new ATOM 945 N ALA A 67 -39.228 55.499 -18.952 1.00 75.31 N ATOM 946 CA ALA A 67 -38.948 56.061 -17.636 1.00 20.43 C ATOM 947 C ALA A 67 -38.153 55.081 -16.779 1.00 54.14 C ATOM 948 O ALA A 67 -38.535 53.920 -16.630 1.00 4.00 O ATOM 949 CB ALA A 67 -40.246 56.442 -16.938 1.00 43.14 C ATOM 0 H ALA A 67 -40.211 55.530 -19.224 1.00 75.31 H new ATOM 0 HA ALA A 67 -38.344 56.958 -17.772 1.00 20.43 H new ATOM 0 HB1 ALA A 67 -40.022 56.860 -15.957 1.00 43.14 H new ATOM 0 HB2 ALA A 67 -40.777 57.183 -17.536 1.00 43.14 H new ATOM 0 HB3 ALA A 67 -40.870 55.556 -16.821 1.00 43.14 H new ATOM 955 N TYR A 68 -37.048 55.556 -16.219 1.00 65.53 N ATOM 956 CA TYR A 68 -36.196 54.720 -15.380 1.00 15.02 C ATOM 957 C TYR A 68 -37.012 54.040 -14.284 1.00 70.54 C ATOM 958 O TYR A 68 -37.431 54.678 -13.319 1.00 11.51 O ATOM 959 CB TYR A 68 -35.081 55.560 -14.753 1.00 2.03 C ATOM 960 CG TYR A 68 -33.823 54.774 -14.463 1.00 24.52 C ATOM 961 CD1 TYR A 68 -32.829 54.633 -15.424 1.00 53.54 C ATOM 962 CD2 TYR A 68 -33.628 54.168 -13.226 1.00 72.15 C ATOM 963 CE1 TYR A 68 -31.678 53.916 -15.163 1.00 21.12 C ATOM 964 CE2 TYR A 68 -32.479 53.449 -12.957 1.00 11.51 C ATOM 965 CZ TYR A 68 -31.508 53.325 -13.928 1.00 52.23 C ATOM 966 OH TYR A 68 -30.363 52.609 -13.663 1.00 10.53 O ATOM 0 H TYR A 68 -36.720 56.515 -16.330 1.00 65.53 H new ATOM 0 HA TYR A 68 -35.752 53.949 -16.010 1.00 15.02 H new ATOM 0 HB2 TYR A 68 -34.838 56.385 -15.423 1.00 2.03 H new ATOM 0 HB3 TYR A 68 -35.447 56.000 -13.825 1.00 2.03 H new ATOM 0 HD1 TYR A 68 -32.959 55.093 -16.393 1.00 53.54 H new ATOM 0 HD2 TYR A 68 -34.387 54.261 -12.463 1.00 72.15 H new ATOM 0 HE1 TYR A 68 -30.915 53.818 -15.921 1.00 21.12 H new ATOM 0 HE2 TYR A 68 -32.342 52.986 -11.991 1.00 11.51 H new ATOM 0 HH TYR A 68 -29.720 52.740 -14.391 1.00 10.53 H new ATOM 976 N HIS A 69 -37.233 52.739 -14.442 1.00 11.33 N ATOM 977 CA HIS A 69 -37.996 51.969 -13.467 1.00 52.11 C ATOM 978 C HIS A 69 -37.184 51.744 -12.194 1.00 40.24 C ATOM 979 O HIS A 69 -37.636 51.069 -11.271 1.00 35.33 O ATOM 980 CB HIS A 69 -38.416 50.625 -14.062 1.00 4.24 C ATOM 981 CG HIS A 69 -37.537 50.165 -15.185 1.00 3.55 C ATOM 982 ND1 HIS A 69 -38.030 49.633 -16.357 1.00 43.05 N ATOM 983 CD2 HIS A 69 -36.189 50.165 -15.310 1.00 54.00 C ATOM 984 CE1 HIS A 69 -37.023 49.323 -17.155 1.00 64.42 C ATOM 985 NE2 HIS A 69 -35.896 49.636 -16.543 1.00 24.13 N ATOM 0 H HIS A 69 -36.894 52.196 -15.236 1.00 11.33 H new ATOM 0 HA HIS A 69 -38.889 52.539 -13.211 1.00 52.11 H new ATOM 0 HB2 HIS A 69 -38.410 49.871 -13.275 1.00 4.24 H new ATOM 0 HB3 HIS A 69 -39.442 50.701 -14.423 1.00 4.24 H new ATOM 0 HD2 HIS A 69 -35.477 50.515 -14.577 1.00 54.00 H new ATOM 0 HE1 HIS A 69 -37.108 48.888 -18.140 1.00 64.42 H new ATOM 0 HE2 HIS A 69 -34.959 49.506 -16.924 1.00 24.13 H new ATOM 993 N GLU A 70 -35.984 52.315 -12.156 1.00 55.41 N ATOM 994 CA GLU A 70 -35.110 52.175 -10.998 1.00 64.35 C ATOM 995 C GLU A 70 -34.911 50.705 -10.641 1.00 41.04 C ATOM 996 O GLU A 70 -34.896 50.337 -9.468 1.00 74.55 O ATOM 997 CB GLU A 70 -35.690 52.928 -9.799 1.00 71.13 C ATOM 998 CG GLU A 70 -35.059 54.292 -9.574 1.00 20.40 C ATOM 999 CD GLU A 70 -35.394 54.872 -8.214 1.00 61.11 C ATOM 1000 OE1 GLU A 70 -36.401 54.440 -7.615 1.00 23.22 O ATOM 1001 OE2 GLU A 70 -34.648 55.759 -7.748 1.00 21.52 O ATOM 0 H GLU A 70 -35.596 52.878 -12.913 1.00 55.41 H new ATOM 0 HA GLU A 70 -34.141 52.604 -11.253 1.00 64.35 H new ATOM 0 HB2 GLU A 70 -36.763 53.053 -9.944 1.00 71.13 H new ATOM 0 HB3 GLU A 70 -35.557 52.323 -8.902 1.00 71.13 H new ATOM 0 HG2 GLU A 70 -33.977 54.208 -9.673 1.00 20.40 H new ATOM 0 HG3 GLU A 70 -35.398 54.978 -10.351 1.00 20.40 H new ATOM 1008 N GLY A 71 -34.757 49.869 -11.665 1.00 22.31 N ATOM 1009 CA GLY A 71 -34.561 48.449 -11.438 1.00 51.21 C ATOM 1010 C GLY A 71 -34.086 47.725 -12.682 1.00 31.52 C ATOM 1011 O GLY A 71 -32.890 47.691 -12.969 1.00 70.03 O ATOM 0 H GLY A 71 -34.765 50.150 -12.646 1.00 22.31 H new ATOM 0 HA2 GLY A 71 -33.833 48.309 -10.639 1.00 51.21 H new ATOM 0 HA3 GLY A 71 -35.497 48.006 -11.098 1.00 51.21 H new ATOM 1015 N GLU A 72 -35.026 47.142 -13.421 1.00 65.40 N ATOM 1016 CA GLU A 72 -34.693 46.412 -14.640 1.00 73.02 C ATOM 1017 C GLU A 72 -35.915 46.285 -15.547 1.00 33.44 C ATOM 1018 O GLU A 72 -37.039 46.279 -15.048 1.00 25.21 O ATOM 1019 CB GLU A 72 -34.152 45.022 -14.298 1.00 61.20 C ATOM 1020 CG GLU A 72 -32.902 44.647 -15.076 1.00 30.14 C ATOM 1021 CD GLU A 72 -33.058 43.346 -15.838 1.00 50.25 C ATOM 1022 OE1 GLU A 72 -32.906 42.273 -15.220 1.00 52.21 O ATOM 1023 OE2 GLU A 72 -33.332 43.403 -17.055 1.00 44.32 O ATOM 0 H GLU A 72 -36.021 47.161 -13.198 1.00 65.40 H new ATOM 0 HA GLU A 72 -33.923 46.972 -15.170 1.00 73.02 H new ATOM 0 HB2 GLU A 72 -33.932 44.979 -13.231 1.00 61.20 H new ATOM 0 HB3 GLU A 72 -34.927 44.281 -14.494 1.00 61.20 H new ATOM 0 HG2 GLU A 72 -32.661 45.447 -15.776 1.00 30.14 H new ATOM 0 HG3 GLU A 72 -32.062 44.562 -14.387 1.00 30.14 H new ATOM 1030 N CYS A 73 -35.669 46.188 -16.845 1.00 31.42 N ATOM 1031 CA CYS A 73 -36.754 46.062 -17.803 1.00 42.54 C ATOM 1032 C CYS A 73 -37.556 44.806 -17.460 1.00 54.03 C ATOM 1033 O CYS A 73 -38.784 44.818 -17.376 1.00 51.02 O ATOM 1034 CB CYS A 73 -36.236 46.033 -19.243 1.00 24.30 C ATOM 1035 SG CYS A 73 -35.050 47.401 -19.510 1.00 31.00 S ATOM 0 H CYS A 73 -34.735 46.194 -17.255 1.00 31.42 H new ATOM 0 HA CYS A 73 -37.404 46.935 -17.737 1.00 42.54 H new ATOM 0 HB2 CYS A 73 -35.753 45.077 -19.445 1.00 24.30 H new ATOM 0 HB3 CYS A 73 -37.069 46.122 -19.940 1.00 24.30 H new ATOM 0 HG CYS A 73 -35.702 48.508 -19.710 1.00 31.00 H new