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 61 CYS SG : rot 160:sc= -0.497 USER MOD Set 1.2: A 64 CYS SG : rot -54:sc= -0.185 USER MOD Set 1.3: A 69 HIS : no HD1:sc= -1.92 K(o=-3.7,f=-5.5) USER MOD Set 1.4: A 73 CYS SG : rot -82:sc= -1.08 USER MOD Set 2.1: A 28 CYS SG : rot 146:sc= 0.0292 USER MOD Set 2.2: A 33 CYS SG : rot -156:sc= -0.768 USER MOD Set 2.3: A 48 CYS SG : rot -156:sc= -1.05! USER MOD Set 2.4: A 56 CYS SG : rot 146:sc= -0.243 USER MOD Single : A 23 MET CE :methyl 135:sc= -2.42 (180deg=-4.91!) USER MOD Single : A 43 GLN : amide:sc= -1.3 K(o=-1.3,f=-3!) 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 -123:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 341 N MET A 23 -30.201 49.559 -28.325 1.00 1.32 N ATOM 342 CA MET A 23 -31.233 50.555 -28.591 1.00 11.43 C ATOM 343 C MET A 23 -30.634 51.956 -28.660 1.00 60.05 C ATOM 344 O MET A 23 -31.346 52.953 -28.552 1.00 51.12 O ATOM 345 CB MET A 23 -32.312 50.503 -27.507 1.00 54.03 C ATOM 346 CG MET A 23 -33.670 50.056 -28.023 1.00 72.31 C ATOM 347 SD MET A 23 -34.751 51.442 -28.428 1.00 43.53 S ATOM 348 CE MET A 23 -33.880 52.152 -29.823 1.00 41.13 C ATOM 0 HA MET A 23 -31.684 50.325 -29.556 1.00 11.43 H new ATOM 0 HB2 MET A 23 -31.990 49.823 -26.718 1.00 54.03 H new ATOM 0 HB3 MET A 23 -32.411 51.491 -27.056 1.00 54.03 H new ATOM 0 HG2 MET A 23 -33.532 49.437 -28.910 1.00 72.31 H new ATOM 0 HG3 MET A 23 -34.153 49.432 -27.271 1.00 72.31 H new ATOM 0 HE1 MET A 23 -34.591 52.384 -30.616 1.00 41.13 H new ATOM 0 HE2 MET A 23 -33.375 53.066 -29.510 1.00 41.13 H new ATOM 0 HE3 MET A 23 -33.143 51.439 -30.193 1.00 41.13 H new ATOM 358 N GLY A 24 -29.318 52.023 -28.840 1.00 74.43 N ATOM 359 CA GLY A 24 -28.645 53.307 -28.920 1.00 74.33 C ATOM 360 C GLY A 24 -29.477 54.354 -29.635 1.00 31.32 C ATOM 361 O GLY A 24 -29.745 54.234 -30.829 1.00 71.23 O ATOM 0 H GLY A 24 -28.706 51.212 -28.932 1.00 74.43 H new ATOM 0 HA2 GLY A 24 -28.414 53.656 -27.914 1.00 74.33 H new ATOM 0 HA3 GLY A 24 -27.695 53.184 -29.441 1.00 74.33 H new ATOM 365 N GLY A 25 -29.886 55.383 -28.900 1.00 41.31 N ATOM 366 CA GLY A 25 -30.690 56.440 -29.487 1.00 23.01 C ATOM 367 C GLY A 25 -32.110 56.450 -28.960 1.00 51.22 C ATOM 368 O GLY A 25 -32.855 55.487 -29.143 1.00 23.01 O ATOM 0 H GLY A 25 -29.676 55.504 -27.909 1.00 41.31 H new ATOM 0 HA2 GLY A 25 -30.223 57.403 -29.282 1.00 23.01 H new ATOM 0 HA3 GLY A 25 -30.709 56.319 -30.570 1.00 23.01 H new ATOM 372 N VAL A 26 -32.488 57.541 -28.301 1.00 21.42 N ATOM 373 CA VAL A 26 -33.828 57.671 -27.743 1.00 41.33 C ATOM 374 C VAL A 26 -34.387 59.070 -27.977 1.00 44.05 C ATOM 375 O VAL A 26 -33.790 60.067 -27.564 1.00 73.25 O ATOM 376 CB VAL A 26 -33.840 57.372 -26.232 1.00 4.42 C ATOM 377 CG1 VAL A 26 -35.266 57.344 -25.704 1.00 73.32 C ATOM 378 CG2 VAL A 26 -33.130 56.059 -25.944 1.00 31.43 C ATOM 0 H VAL A 26 -31.884 58.348 -28.141 1.00 21.42 H new ATOM 0 HA VAL A 26 -34.455 56.941 -28.255 1.00 41.33 H new ATOM 0 HB VAL A 26 -33.304 58.169 -25.717 1.00 4.42 H new ATOM 0 HG11 VAL A 26 -35.254 57.131 -24.635 1.00 73.32 H new ATOM 0 HG12 VAL A 26 -35.737 58.312 -25.876 1.00 73.32 H new ATOM 0 HG13 VAL A 26 -35.831 56.569 -26.222 1.00 73.32 H new ATOM 0 HG21 VAL A 26 -33.148 55.863 -24.872 1.00 31.43 H new ATOM 0 HG22 VAL A 26 -33.636 55.249 -26.469 1.00 31.43 H new ATOM 0 HG23 VAL A 26 -32.096 56.122 -26.284 1.00 31.43 H new ATOM 388 N LEU A 27 -35.536 59.139 -28.641 1.00 65.34 N ATOM 389 CA LEU A 27 -36.176 60.418 -28.931 1.00 2.10 C ATOM 390 C LEU A 27 -37.058 60.861 -27.768 1.00 44.31 C ATOM 391 O LEU A 27 -38.085 60.233 -27.520 1.00 33.54 O ATOM 392 CB LEU A 27 -37.011 60.315 -30.209 1.00 62.52 C ATOM 393 CG LEU A 27 -36.577 61.211 -31.369 1.00 2.21 C ATOM 394 CD1 LEU A 27 -37.004 62.651 -31.118 1.00 23.21 C ATOM 395 CD2 LEU A 27 -35.072 61.127 -31.575 1.00 31.23 C ATOM 0 H LEU A 27 -36.043 58.325 -28.988 1.00 65.34 H new ATOM 0 HA LEU A 27 -35.394 61.164 -29.075 1.00 2.10 H new ATOM 0 HB2 LEU A 27 -36.992 59.280 -30.549 1.00 62.52 H new ATOM 0 HB3 LEU A 27 -38.046 60.550 -29.962 1.00 62.52 H new ATOM 0 HG LEU A 27 -37.067 60.860 -32.277 1.00 2.21 H new ATOM 0 HD11 LEU A 27 -36.687 63.275 -31.953 1.00 23.21 H new ATOM 0 HD12 LEU A 27 -38.089 62.697 -31.021 1.00 23.21 H new ATOM 0 HD13 LEU A 27 -36.542 63.013 -30.199 1.00 23.21 H new ATOM 0 HD21 LEU A 27 -34.782 61.771 -32.405 1.00 31.23 H new ATOM 0 HD22 LEU A 27 -34.562 61.452 -30.668 1.00 31.23 H new ATOM 0 HD23 LEU A 27 -34.792 60.098 -31.800 1.00 31.23 H new ATOM 407 N CYS A 28 -36.644 61.921 -27.090 1.00 62.43 N ATOM 408 CA CYS A 28 -37.404 62.434 -25.965 1.00 64.02 C ATOM 409 C CYS A 28 -38.851 62.642 -26.417 1.00 32.22 C ATOM 410 O CYS A 28 -39.146 63.239 -27.451 1.00 53.21 O ATOM 411 CB CYS A 28 -36.792 63.721 -25.407 1.00 31.31 C ATOM 412 SG CYS A 28 -36.704 63.630 -23.581 1.00 60.12 S ATOM 0 H CYS A 28 -35.790 62.439 -27.299 1.00 62.43 H new ATOM 0 HA CYS A 28 -37.378 61.713 -25.148 1.00 64.02 H new ATOM 0 HB2 CYS A 28 -35.794 63.868 -25.821 1.00 31.31 H new ATOM 0 HB3 CYS A 28 -37.392 64.580 -25.708 1.00 31.31 H new ATOM 0 HG CYS A 28 -35.638 64.247 -23.167 1.00 60.12 H new ATOM 417 N PRO A 29 -39.779 62.121 -25.601 1.00 11.40 N ATOM 418 CA PRO A 29 -41.218 62.223 -25.872 1.00 25.44 C ATOM 419 C PRO A 29 -41.738 63.647 -25.716 1.00 61.54 C ATOM 420 O PRO A 29 -42.898 63.931 -26.017 1.00 30.31 O ATOM 421 CB PRO A 29 -41.842 61.307 -24.815 1.00 61.45 C ATOM 422 CG PRO A 29 -40.851 61.280 -23.703 1.00 60.22 C ATOM 423 CD PRO A 29 -39.499 61.396 -24.351 1.00 21.21 C ATOM 0 HA PRO A 29 -41.461 61.943 -26.897 1.00 25.44 H new ATOM 0 HB2 PRO A 29 -42.805 61.691 -24.478 1.00 61.45 H new ATOM 0 HB3 PRO A 29 -42.019 60.307 -25.212 1.00 61.45 H new ATOM 0 HG2 PRO A 29 -41.022 62.102 -23.007 1.00 60.22 H new ATOM 0 HG3 PRO A 29 -40.932 60.356 -23.131 1.00 60.22 H new ATOM 0 HD2 PRO A 29 -38.797 61.940 -23.720 1.00 21.21 H new ATOM 0 HD3 PRO A 29 -39.061 60.417 -24.544 1.00 21.21 H new ATOM 431 N ARG A 30 -40.874 64.541 -25.247 1.00 60.40 N ATOM 432 CA ARG A 30 -41.247 65.936 -25.051 1.00 22.31 C ATOM 433 C ARG A 30 -41.707 66.565 -26.363 1.00 35.51 C ATOM 434 O ARG A 30 -41.309 66.149 -27.452 1.00 72.34 O ATOM 435 CB ARG A 30 -40.067 66.726 -24.482 1.00 63.13 C ATOM 436 CG ARG A 30 -40.026 66.748 -22.962 1.00 54.22 C ATOM 437 CD ARG A 30 -39.836 65.353 -22.389 1.00 51.25 C ATOM 438 NE ARG A 30 -40.940 64.965 -21.516 1.00 62.34 N ATOM 439 CZ ARG A 30 -41.018 65.308 -20.236 1.00 15.34 C ATOM 440 NH1 ARG A 30 -40.063 66.044 -19.682 1.00 74.31 N ATOM 441 NH2 ARG A 30 -42.055 64.917 -19.505 1.00 21.12 N ATOM 0 H ARG A 30 -39.910 64.323 -24.995 1.00 60.40 H new ATOM 0 HA ARG A 30 -42.074 65.969 -24.342 1.00 22.31 H new ATOM 0 HB2 ARG A 30 -39.138 66.296 -24.856 1.00 63.13 H new ATOM 0 HB3 ARG A 30 -40.115 67.751 -24.851 1.00 63.13 H new ATOM 0 HG2 ARG A 30 -39.213 67.393 -22.628 1.00 54.22 H new ATOM 0 HG3 ARG A 30 -40.952 67.177 -22.578 1.00 54.22 H new ATOM 0 HD2 ARG A 30 -39.749 64.635 -23.204 1.00 51.25 H new ATOM 0 HD3 ARG A 30 -38.901 65.315 -21.830 1.00 51.25 H new ATOM 0 HE ARG A 30 -41.692 64.400 -21.911 1.00 62.34 H new ATOM 0 HH11 ARG A 30 -39.265 66.348 -20.240 1.00 74.31 H new ATOM 0 HH12 ARG A 30 -40.127 66.305 -18.698 1.00 74.31 H new ATOM 0 HH21 ARG A 30 -42.792 64.353 -19.927 1.00 21.12 H new ATOM 0 HH22 ARG A 30 -42.114 65.181 -18.522 1.00 21.12 H new ATOM 455 N PRO A 31 -42.567 67.588 -26.260 1.00 34.23 N ATOM 456 CA PRO A 31 -43.100 68.295 -27.427 1.00 14.22 C ATOM 457 C PRO A 31 -42.039 69.130 -28.135 1.00 44.34 C ATOM 458 O PRO A 31 -41.886 69.054 -29.354 1.00 5.44 O ATOM 459 CB PRO A 31 -44.182 69.200 -26.832 1.00 34.53 C ATOM 460 CG PRO A 31 -43.764 69.409 -25.416 1.00 62.43 C ATOM 461 CD PRO A 31 -43.084 68.136 -24.995 1.00 5.14 C ATOM 0 HA PRO A 31 -43.471 67.605 -28.185 1.00 14.22 H new ATOM 0 HB2 PRO A 31 -44.247 70.146 -27.370 1.00 34.53 H new ATOM 0 HB3 PRO A 31 -45.165 68.733 -26.890 1.00 34.53 H new ATOM 0 HG2 PRO A 31 -43.088 70.260 -25.330 1.00 62.43 H new ATOM 0 HG3 PRO A 31 -44.625 69.620 -24.782 1.00 62.43 H new ATOM 0 HD2 PRO A 31 -42.282 68.326 -24.282 1.00 5.14 H new ATOM 0 HD3 PRO A 31 -43.780 67.449 -24.515 1.00 5.14 H new ATOM 469 N GLY A 32 -41.306 69.927 -27.362 1.00 33.22 N ATOM 470 CA GLY A 32 -40.269 70.765 -27.933 1.00 64.32 C ATOM 471 C GLY A 32 -38.915 70.081 -27.947 1.00 21.33 C ATOM 472 O GLY A 32 -38.163 70.260 -28.904 1.00 14.23 O ATOM 0 H GLY A 32 -41.413 70.007 -26.351 1.00 33.22 H new ATOM 0 HA2 GLY A 32 -40.546 71.038 -28.951 1.00 64.32 H new ATOM 0 HA3 GLY A 32 -40.199 71.691 -27.363 1.00 64.32 H new ATOM 476 N CYS A 33 -38.628 69.322 -26.899 1.00 51.22 N ATOM 477 CA CYS A 33 -37.358 68.622 -26.807 1.00 75.33 C ATOM 478 C CYS A 33 -37.508 67.264 -27.496 1.00 63.32 C ATOM 479 O CYS A 33 -38.594 66.695 -27.590 1.00 61.11 O ATOM 480 CB CYS A 33 -36.895 68.478 -25.356 1.00 73.02 C ATOM 481 SG CYS A 33 -35.851 66.986 -25.177 1.00 33.01 S ATOM 0 H CYS A 33 -39.253 69.177 -26.106 1.00 51.22 H new ATOM 0 HA CYS A 33 -36.583 69.201 -27.310 1.00 75.33 H new ATOM 0 HB2 CYS A 33 -36.334 69.363 -25.055 1.00 73.02 H new ATOM 0 HB3 CYS A 33 -37.759 68.409 -24.695 1.00 73.02 H new ATOM 0 HG CYS A 33 -35.885 66.578 -23.943 1.00 33.01 H new ATOM 486 N GLY A 34 -36.379 66.752 -27.981 1.00 3.11 N ATOM 487 CA GLY A 34 -36.377 65.469 -28.659 1.00 53.42 C ATOM 488 C GLY A 34 -35.225 64.586 -28.223 1.00 75.43 C ATOM 489 O GLY A 34 -35.165 63.411 -28.588 1.00 64.50 O ATOM 0 H GLY A 34 -35.467 67.204 -27.916 1.00 3.11 H new ATOM 0 HA2 GLY A 34 -37.319 64.956 -28.463 1.00 53.42 H new ATOM 0 HA3 GLY A 34 -36.320 65.630 -29.736 1.00 53.42 H new ATOM 493 N ALA A 35 -34.311 65.151 -27.445 1.00 23.30 N ATOM 494 CA ALA A 35 -33.155 64.405 -26.959 1.00 4.45 C ATOM 495 C ALA A 35 -32.711 63.358 -27.975 1.00 3.24 C ATOM 496 O ALA A 35 -32.229 62.287 -27.607 1.00 5.44 O ATOM 497 CB ALA A 35 -33.473 63.748 -25.624 1.00 33.34 C ATOM 0 H ALA A 35 -34.347 66.123 -27.137 1.00 23.30 H new ATOM 0 HA ALA A 35 -32.333 65.107 -26.818 1.00 4.45 H new ATOM 0 HB1 ALA A 35 -32.601 63.195 -25.274 1.00 33.34 H new ATOM 0 HB2 ALA A 35 -33.734 64.515 -24.894 1.00 33.34 H new ATOM 0 HB3 ALA A 35 -34.312 63.063 -25.746 1.00 33.34 H new ATOM 503 N GLY A 36 -32.877 63.674 -29.255 1.00 13.12 N ATOM 504 CA GLY A 36 -32.490 62.749 -30.305 1.00 31.13 C ATOM 505 C GLY A 36 -31.053 62.286 -30.168 1.00 13.42 C ATOM 506 O GLY A 36 -30.619 61.368 -30.863 1.00 43.15 O ATOM 0 H GLY A 36 -33.273 64.554 -29.584 1.00 13.12 H new ATOM 0 HA2 GLY A 36 -33.151 61.883 -30.284 1.00 31.13 H new ATOM 0 HA3 GLY A 36 -32.623 63.228 -31.275 1.00 31.13 H new ATOM 510 N LEU A 37 -30.311 62.923 -29.269 1.00 3.33 N ATOM 511 CA LEU A 37 -28.913 62.573 -29.044 1.00 11.44 C ATOM 512 C LEU A 37 -28.761 61.077 -28.790 1.00 3.11 C ATOM 513 O LEU A 37 -29.749 60.355 -28.657 1.00 52.11 O ATOM 514 CB LEU A 37 -28.354 63.363 -27.858 1.00 72.20 C ATOM 515 CG LEU A 37 -29.259 63.461 -26.629 1.00 13.41 C ATOM 516 CD1 LEU A 37 -28.918 62.370 -25.625 1.00 70.14 C ATOM 517 CD2 LEU A 37 -29.141 64.836 -25.988 1.00 30.23 C ATOM 0 H LEU A 37 -30.654 63.685 -28.684 1.00 3.33 H new ATOM 0 HA LEU A 37 -28.350 62.829 -29.942 1.00 11.44 H new ATOM 0 HB2 LEU A 37 -27.412 62.906 -27.555 1.00 72.20 H new ATOM 0 HB3 LEU A 37 -28.124 64.373 -28.196 1.00 72.20 H new ATOM 0 HG LEU A 37 -30.291 63.320 -26.950 1.00 13.41 H new ATOM 0 HD11 LEU A 37 -29.572 62.456 -24.758 1.00 70.14 H new ATOM 0 HD12 LEU A 37 -29.056 61.393 -26.088 1.00 70.14 H new ATOM 0 HD13 LEU A 37 -27.880 62.478 -25.309 1.00 70.14 H new ATOM 0 HD21 LEU A 37 -29.792 64.888 -25.115 1.00 30.23 H new ATOM 0 HD22 LEU A 37 -28.109 65.007 -25.682 1.00 30.23 H new ATOM 0 HD23 LEU A 37 -29.438 65.599 -26.707 1.00 30.23 H new ATOM 529 N LEU A 38 -27.516 60.619 -28.723 1.00 34.44 N ATOM 530 CA LEU A 38 -27.234 59.207 -28.483 1.00 23.44 C ATOM 531 C LEU A 38 -26.721 58.988 -27.063 1.00 60.15 C ATOM 532 O LEU A 38 -25.625 59.416 -26.699 1.00 44.42 O ATOM 533 CB LEU A 38 -26.205 58.694 -29.493 1.00 10.20 C ATOM 534 CG LEU A 38 -26.496 57.326 -30.110 1.00 52.53 C ATOM 535 CD1 LEU A 38 -26.518 56.249 -29.037 1.00 13.00 C ATOM 536 CD2 LEU A 38 -27.815 57.351 -30.868 1.00 44.44 C ATOM 0 H LEU A 38 -26.687 61.203 -28.831 1.00 34.44 H new ATOM 0 HA LEU A 38 -28.163 58.650 -28.604 1.00 23.44 H new ATOM 0 HB2 LEU A 38 -26.121 59.423 -30.299 1.00 10.20 H new ATOM 0 HB3 LEU A 38 -25.233 58.649 -29.001 1.00 10.20 H new ATOM 0 HG LEU A 38 -25.699 57.092 -30.815 1.00 52.53 H new ATOM 0 HD11 LEU A 38 -26.727 55.283 -29.496 1.00 13.00 H new ATOM 0 HD12 LEU A 38 -25.549 56.212 -28.538 1.00 13.00 H new ATOM 0 HD13 LEU A 38 -27.294 56.479 -28.307 1.00 13.00 H new ATOM 0 HD21 LEU A 38 -28.005 56.369 -31.300 1.00 44.44 H new ATOM 0 HD22 LEU A 38 -28.623 57.609 -30.184 1.00 44.44 H new ATOM 0 HD23 LEU A 38 -27.763 58.094 -31.664 1.00 44.44 H new ATOM 548 N PRO A 39 -27.529 58.304 -26.240 1.00 73.42 N ATOM 549 CA PRO A 39 -27.178 58.010 -24.848 1.00 50.40 C ATOM 550 C PRO A 39 -26.045 56.995 -24.738 1.00 13.11 C ATOM 551 O PRO A 39 -25.830 56.192 -25.646 1.00 34.14 O ATOM 552 CB PRO A 39 -28.472 57.433 -24.270 1.00 73.11 C ATOM 553 CG PRO A 39 -29.196 56.875 -25.445 1.00 71.33 C ATOM 554 CD PRO A 39 -28.850 57.764 -26.606 1.00 41.34 C ATOM 0 HA PRO A 39 -26.818 58.895 -24.323 1.00 50.40 H new ATOM 0 HB2 PRO A 39 -28.265 56.661 -23.529 1.00 73.11 H new ATOM 0 HB3 PRO A 39 -29.061 58.203 -23.771 1.00 73.11 H new ATOM 0 HG2 PRO A 39 -28.892 55.846 -25.638 1.00 71.33 H new ATOM 0 HG3 PRO A 39 -30.272 56.862 -25.270 1.00 71.33 H new ATOM 0 HD2 PRO A 39 -28.811 57.206 -27.542 1.00 41.34 H new ATOM 0 HD3 PRO A 39 -29.586 58.557 -26.738 1.00 41.34 H new ATOM 562 N GLU A 40 -25.327 57.036 -23.621 1.00 3.32 N ATOM 563 CA GLU A 40 -24.216 56.119 -23.394 1.00 34.42 C ATOM 564 C GLU A 40 -24.652 54.672 -23.611 1.00 63.03 C ATOM 565 O GLU A 40 -25.834 54.336 -23.541 1.00 11.33 O ATOM 566 CB GLU A 40 -23.666 56.290 -21.977 1.00 4.12 C ATOM 567 CG GLU A 40 -24.746 56.439 -20.919 1.00 42.11 C ATOM 568 CD GLU A 40 -24.698 57.786 -20.224 1.00 11.25 C ATOM 569 OE1 GLU A 40 -25.285 58.750 -20.757 1.00 13.33 O ATOM 570 OE2 GLU A 40 -24.075 57.875 -19.144 1.00 21.33 O ATOM 0 H GLU A 40 -25.494 57.694 -22.859 1.00 3.32 H new ATOM 0 HA GLU A 40 -23.431 56.356 -24.112 1.00 34.42 H new ATOM 0 HB2 GLU A 40 -23.045 55.429 -21.731 1.00 4.12 H new ATOM 0 HB3 GLU A 40 -23.020 57.167 -21.951 1.00 4.12 H new ATOM 0 HG2 GLU A 40 -25.724 56.308 -21.382 1.00 42.11 H new ATOM 0 HG3 GLU A 40 -24.635 55.647 -20.178 1.00 42.11 H new ATOM 577 N PRO A 41 -23.674 53.794 -23.882 1.00 35.11 N ATOM 578 CA PRO A 41 -23.932 52.370 -24.115 1.00 43.04 C ATOM 579 C PRO A 41 -24.366 51.645 -22.847 1.00 35.32 C ATOM 580 O PRO A 41 -24.393 50.414 -22.803 1.00 4.23 O ATOM 581 CB PRO A 41 -22.580 51.840 -24.599 1.00 45.35 C ATOM 582 CG PRO A 41 -21.576 52.777 -24.021 1.00 21.00 C ATOM 583 CD PRO A 41 -22.243 54.125 -23.981 1.00 74.23 C ATOM 0 HA PRO A 41 -24.745 52.213 -24.824 1.00 43.04 H new ATOM 0 HB2 PRO A 41 -22.410 50.819 -24.258 1.00 45.35 H new ATOM 0 HB3 PRO A 41 -22.527 51.826 -25.688 1.00 45.35 H new ATOM 0 HG2 PRO A 41 -21.276 52.460 -23.022 1.00 21.00 H new ATOM 0 HG3 PRO A 41 -20.673 52.806 -24.631 1.00 21.00 H new ATOM 0 HD2 PRO A 41 -21.907 54.715 -23.128 1.00 74.23 H new ATOM 0 HD3 PRO A 41 -22.026 54.707 -24.876 1.00 74.23 H new ATOM 591 N ASP A 42 -24.704 52.413 -21.817 1.00 55.13 N ATOM 592 CA ASP A 42 -25.139 51.842 -20.548 1.00 25.24 C ATOM 593 C ASP A 42 -26.325 52.617 -19.982 1.00 12.24 C ATOM 594 O ASP A 42 -26.161 53.702 -19.426 1.00 23.45 O ATOM 595 CB ASP A 42 -23.986 51.844 -19.542 1.00 34.42 C ATOM 596 CG ASP A 42 -22.658 51.495 -20.185 1.00 24.33 C ATOM 597 OD1 ASP A 42 -22.492 50.331 -20.611 1.00 4.15 O ATOM 598 OD2 ASP A 42 -21.785 52.384 -20.261 1.00 23.44 O ATOM 0 H ASP A 42 -24.685 53.433 -21.836 1.00 55.13 H new ATOM 0 HA ASP A 42 -25.452 50.814 -20.728 1.00 25.24 H new ATOM 0 HB2 ASP A 42 -23.914 52.827 -19.077 1.00 34.42 H new ATOM 0 HB3 ASP A 42 -24.200 51.130 -18.746 1.00 34.42 H new ATOM 603 N GLN A 43 -27.519 52.052 -20.129 1.00 34.54 N ATOM 604 CA GLN A 43 -28.732 52.690 -19.634 1.00 43.31 C ATOM 605 C GLN A 43 -28.592 53.056 -18.160 1.00 62.24 C ATOM 606 O GLN A 43 -29.377 53.841 -17.628 1.00 35.14 O ATOM 607 CB GLN A 43 -29.936 51.768 -19.830 1.00 33.31 C ATOM 608 CG GLN A 43 -29.964 50.591 -18.867 1.00 63.44 C ATOM 609 CD GLN A 43 -29.124 49.425 -19.350 1.00 72.22 C ATOM 610 OE1 GLN A 43 -29.196 49.031 -20.515 1.00 41.35 O ATOM 611 NE2 GLN A 43 -28.321 48.862 -18.454 1.00 2.10 N ATOM 0 H GLN A 43 -27.672 51.154 -20.587 1.00 34.54 H new ATOM 0 HA GLN A 43 -28.888 53.606 -20.204 1.00 43.31 H new ATOM 0 HB2 GLN A 43 -30.851 52.348 -19.709 1.00 33.31 H new ATOM 0 HB3 GLN A 43 -29.931 51.390 -20.852 1.00 33.31 H new ATOM 0 HG2 GLN A 43 -29.602 50.915 -17.891 1.00 63.44 H new ATOM 0 HG3 GLN A 43 -30.994 50.261 -18.732 1.00 63.44 H new ATOM 0 HE21 GLN A 43 -28.292 49.220 -17.499 1.00 2.10 H new ATOM 0 HE22 GLN A 43 -27.733 48.072 -18.721 1.00 2.10 H new ATOM 620 N ARG A 44 -27.588 52.483 -17.506 1.00 20.34 N ATOM 621 CA ARG A 44 -27.346 52.748 -16.092 1.00 65.20 C ATOM 622 C ARG A 44 -27.742 54.177 -15.732 1.00 21.12 C ATOM 623 O ARG A 44 -28.475 54.405 -14.771 1.00 3.33 O ATOM 624 CB ARG A 44 -25.872 52.515 -15.753 1.00 11.05 C ATOM 625 CG ARG A 44 -25.639 51.314 -14.851 1.00 63.45 C ATOM 626 CD ARG A 44 -24.317 50.629 -15.168 1.00 10.44 C ATOM 627 NE ARG A 44 -23.859 49.788 -14.065 1.00 73.10 N ATOM 628 CZ ARG A 44 -22.586 49.464 -13.869 1.00 11.14 C ATOM 629 NH1 ARG A 44 -21.650 49.907 -14.696 1.00 71.51 N ATOM 630 NH2 ARG A 44 -22.247 48.694 -12.842 1.00 72.41 N ATOM 0 H ARG A 44 -26.928 51.832 -17.932 1.00 20.34 H new ATOM 0 HA ARG A 44 -27.959 52.061 -15.509 1.00 65.20 H new ATOM 0 HB2 ARG A 44 -25.312 52.378 -16.678 1.00 11.05 H new ATOM 0 HB3 ARG A 44 -25.474 53.406 -15.268 1.00 11.05 H new ATOM 0 HG2 ARG A 44 -25.644 51.633 -13.809 1.00 63.45 H new ATOM 0 HG3 ARG A 44 -26.457 50.603 -14.971 1.00 63.45 H new ATOM 0 HD2 ARG A 44 -24.430 50.021 -16.065 1.00 10.44 H new ATOM 0 HD3 ARG A 44 -23.561 51.383 -15.387 1.00 10.44 H new ATOM 0 HE ARG A 44 -24.554 49.430 -13.410 1.00 73.10 H new ATOM 0 HH11 ARG A 44 -21.906 50.499 -15.486 1.00 71.51 H new ATOM 0 HH12 ARG A 44 -20.673 49.656 -14.542 1.00 71.51 H new ATOM 0 HH21 ARG A 44 -22.964 48.351 -12.203 1.00 72.41 H new ATOM 0 HH22 ARG A 44 -21.269 48.445 -12.692 1.00 72.41 H new ATOM 644 N LYS A 45 -27.250 55.137 -16.510 1.00 33.51 N ATOM 645 CA LYS A 45 -27.552 56.543 -16.274 1.00 2.20 C ATOM 646 C LYS A 45 -27.396 57.355 -17.555 1.00 43.11 C ATOM 647 O LYS A 45 -26.289 57.517 -18.068 1.00 74.31 O ATOM 648 CB LYS A 45 -26.635 57.106 -15.186 1.00 51.21 C ATOM 649 CG LYS A 45 -27.361 57.972 -14.168 1.00 64.30 C ATOM 650 CD LYS A 45 -26.440 59.025 -13.575 1.00 63.12 C ATOM 651 CE LYS A 45 -27.001 60.425 -13.762 1.00 51.42 C ATOM 652 NZ LYS A 45 -26.178 61.452 -13.064 1.00 31.44 N ATOM 0 H LYS A 45 -26.640 54.965 -17.309 1.00 33.51 H new ATOM 0 HA LYS A 45 -28.588 56.616 -15.942 1.00 2.20 H new ATOM 0 HB2 LYS A 45 -26.150 56.279 -14.667 1.00 51.21 H new ATOM 0 HB3 LYS A 45 -25.847 57.695 -15.655 1.00 51.21 H new ATOM 0 HG2 LYS A 45 -28.213 58.458 -14.644 1.00 64.30 H new ATOM 0 HG3 LYS A 45 -27.758 57.343 -13.371 1.00 64.30 H new ATOM 0 HD2 LYS A 45 -26.297 58.828 -12.512 1.00 63.12 H new ATOM 0 HD3 LYS A 45 -25.459 58.959 -14.046 1.00 63.12 H new ATOM 0 HE2 LYS A 45 -27.047 60.658 -14.826 1.00 51.42 H new ATOM 0 HE3 LYS A 45 -28.023 60.460 -13.384 1.00 51.42 H new ATOM 0 HZ1 LYS A 45 -26.594 62.393 -13.216 1.00 31.44 H new ATOM 0 HZ2 LYS A 45 -26.155 61.244 -12.045 1.00 31.44 H new ATOM 0 HZ3 LYS A 45 -25.209 61.437 -13.443 1.00 31.44 H new ATOM 666 N VAL A 46 -28.512 57.865 -18.067 1.00 21.21 N ATOM 667 CA VAL A 46 -28.498 58.663 -19.287 1.00 31.21 C ATOM 668 C VAL A 46 -29.362 59.911 -19.138 1.00 2.52 C ATOM 669 O VAL A 46 -30.576 59.822 -18.951 1.00 50.22 O ATOM 670 CB VAL A 46 -28.999 57.849 -20.495 1.00 43.02 C ATOM 671 CG1 VAL A 46 -28.277 56.511 -20.574 1.00 33.02 C ATOM 672 CG2 VAL A 46 -30.504 57.648 -20.416 1.00 14.32 C ATOM 0 H VAL A 46 -29.437 57.740 -17.656 1.00 21.21 H new ATOM 0 HA VAL A 46 -27.463 58.959 -19.460 1.00 31.21 H new ATOM 0 HB VAL A 46 -28.778 58.408 -21.404 1.00 43.02 H new ATOM 0 HG11 VAL A 46 -28.644 55.950 -21.433 1.00 33.02 H new ATOM 0 HG12 VAL A 46 -27.206 56.681 -20.682 1.00 33.02 H new ATOM 0 HG13 VAL A 46 -28.464 55.943 -19.663 1.00 33.02 H new ATOM 0 HG21 VAL A 46 -30.840 57.071 -21.278 1.00 14.32 H new ATOM 0 HG22 VAL A 46 -30.752 57.111 -19.501 1.00 14.32 H new ATOM 0 HG23 VAL A 46 -31.001 58.618 -20.413 1.00 14.32 H new ATOM 682 N THR A 47 -28.726 61.076 -19.221 1.00 73.30 N ATOM 683 CA THR A 47 -29.435 62.343 -19.093 1.00 42.24 C ATOM 684 C THR A 47 -29.825 62.894 -20.461 1.00 12.45 C ATOM 685 O THR A 47 -28.950 63.099 -21.300 1.00 22.12 O ATOM 686 CB THR A 47 -28.582 63.392 -18.355 1.00 41.03 C ATOM 687 OG1 THR A 47 -27.766 62.753 -17.368 1.00 33.53 O ATOM 688 CG2 THR A 47 -29.465 64.437 -17.692 1.00 51.32 C ATOM 0 H THR A 47 -27.722 61.168 -19.376 1.00 73.30 H new ATOM 0 HA THR A 47 -30.336 62.144 -18.513 1.00 42.24 H new ATOM 0 HB THR A 47 -27.944 63.889 -19.086 1.00 41.03 H new ATOM 0 HG1 THR A 47 -27.226 63.426 -16.904 1.00 33.53 H new ATOM 0 HG21 THR A 47 -28.841 65.167 -17.177 1.00 51.32 H new ATOM 0 HG22 THR A 47 -30.063 64.942 -18.450 1.00 51.32 H new ATOM 0 HG23 THR A 47 -30.125 63.952 -16.973 1.00 51.32 H new ATOM 696 N CYS A 48 -31.117 63.119 -20.654 1.00 10.01 N ATOM 697 CA CYS A 48 -31.604 63.645 -21.917 1.00 71.13 C ATOM 698 C CYS A 48 -30.861 64.948 -22.215 1.00 31.24 C ATOM 699 O CYS A 48 -30.833 65.440 -23.342 1.00 32.11 O ATOM 700 CB CYS A 48 -33.122 63.845 -21.899 1.00 21.43 C ATOM 701 SG CYS A 48 -33.546 65.484 -22.594 1.00 20.45 S ATOM 0 H CYS A 48 -31.841 62.946 -19.956 1.00 10.01 H new ATOM 0 HA CYS A 48 -31.407 62.926 -22.712 1.00 71.13 H new ATOM 0 HB2 CYS A 48 -33.607 63.059 -22.477 1.00 21.43 H new ATOM 0 HB3 CYS A 48 -33.495 63.766 -20.878 1.00 21.43 H new ATOM 0 HG CYS A 48 -34.700 65.866 -22.133 1.00 20.45 H new ATOM 706 N GLU A 49 -30.253 65.499 -21.168 1.00 51.34 N ATOM 707 CA GLU A 49 -29.504 66.745 -21.290 1.00 34.21 C ATOM 708 C GLU A 49 -28.381 66.606 -22.314 1.00 70.42 C ATOM 709 O GLU A 49 -28.168 65.532 -22.877 1.00 52.44 O ATOM 710 CB GLU A 49 -28.924 67.151 -19.934 1.00 45.10 C ATOM 711 CG GLU A 49 -29.928 67.837 -19.024 1.00 4.24 C ATOM 712 CD GLU A 49 -29.268 68.543 -17.855 1.00 54.45 C ATOM 713 OE1 GLU A 49 -28.045 68.374 -17.673 1.00 2.14 O ATOM 714 OE2 GLU A 49 -29.977 69.266 -17.123 1.00 54.43 O ATOM 0 H GLU A 49 -30.264 65.103 -20.228 1.00 51.34 H new ATOM 0 HA GLU A 49 -30.190 67.520 -21.631 1.00 34.21 H new ATOM 0 HB2 GLU A 49 -28.539 66.263 -19.432 1.00 45.10 H new ATOM 0 HB3 GLU A 49 -28.077 67.818 -20.095 1.00 45.10 H new ATOM 0 HG2 GLU A 49 -30.503 68.560 -19.603 1.00 4.24 H new ATOM 0 HG3 GLU A 49 -30.634 67.098 -18.646 1.00 4.24 H new ATOM 775 N GLY A 55 -32.553 69.716 -22.289 1.00 12.24 N ATOM 776 CA GLY A 55 -32.366 69.241 -20.930 1.00 32.54 C ATOM 777 C GLY A 55 -33.670 69.148 -20.163 1.00 63.32 C ATOM 778 O GLY A 55 -34.188 70.178 -19.734 1.00 22.41 O ATOM 0 HA2 GLY A 55 -31.891 68.260 -20.954 1.00 32.54 H new ATOM 0 HA3 GLY A 55 -31.686 69.912 -20.404 1.00 32.54 H new ATOM 782 N CYS A 56 -34.175 67.932 -20.006 1.00 43.02 N ATOM 783 CA CYS A 56 -35.421 67.727 -19.289 1.00 10.01 C ATOM 784 C CYS A 56 -35.109 67.656 -17.792 1.00 43.14 C ATOM 785 O CYS A 56 -35.799 68.236 -16.954 1.00 65.42 O ATOM 786 CB CYS A 56 -36.155 66.476 -19.778 1.00 2.35 C ATOM 787 SG CYS A 56 -36.745 66.727 -21.491 1.00 55.44 S ATOM 0 H CYS A 56 -33.743 67.080 -20.363 1.00 43.02 H new ATOM 0 HA CYS A 56 -36.094 68.563 -19.479 1.00 10.01 H new ATOM 0 HB2 CYS A 56 -35.489 65.614 -19.737 1.00 2.35 H new ATOM 0 HB3 CYS A 56 -36.998 66.259 -19.122 1.00 2.35 H new ATOM 0 HG CYS A 56 -36.692 65.600 -22.138 1.00 55.44 H new ATOM 792 N GLY A 57 -34.043 66.928 -17.475 1.00 4.22 N ATOM 793 CA GLY A 57 -33.633 66.777 -16.090 1.00 53.42 C ATOM 794 C GLY A 57 -34.034 65.436 -15.509 1.00 75.15 C ATOM 795 O GLY A 57 -33.900 65.206 -14.307 1.00 43.14 O ATOM 0 H GLY A 57 -33.456 66.440 -18.152 1.00 4.22 H new ATOM 0 HA2 GLY A 57 -32.551 66.891 -16.020 1.00 53.42 H new ATOM 0 HA3 GLY A 57 -34.076 67.575 -15.494 1.00 53.42 H new ATOM 799 N PHE A 58 -34.531 64.548 -16.365 1.00 60.12 N ATOM 800 CA PHE A 58 -34.957 63.222 -15.929 1.00 44.23 C ATOM 801 C PHE A 58 -34.365 62.140 -16.827 1.00 23.53 C ATOM 802 O PHE A 58 -34.810 61.943 -17.957 1.00 72.15 O ATOM 803 CB PHE A 58 -36.483 63.126 -15.934 1.00 43.45 C ATOM 804 CG PHE A 58 -37.001 61.806 -15.440 1.00 11.31 C ATOM 805 CD1 PHE A 58 -36.941 60.678 -16.241 1.00 62.14 C ATOM 806 CD2 PHE A 58 -37.552 61.693 -14.173 1.00 45.01 C ATOM 807 CE1 PHE A 58 -37.416 59.462 -15.789 1.00 3.41 C ATOM 808 CE2 PHE A 58 -38.030 60.480 -13.715 1.00 61.12 C ATOM 809 CZ PHE A 58 -37.964 59.363 -14.526 1.00 24.45 C ATOM 0 H PHE A 58 -34.649 64.722 -17.363 1.00 60.12 H new ATOM 0 HA PHE A 58 -34.594 63.066 -14.913 1.00 44.23 H new ATOM 0 HB2 PHE A 58 -36.891 63.923 -15.313 1.00 43.45 H new ATOM 0 HB3 PHE A 58 -36.847 63.294 -16.948 1.00 43.45 H new ATOM 0 HD1 PHE A 58 -36.517 60.750 -17.232 1.00 62.14 H new ATOM 0 HD2 PHE A 58 -37.608 62.563 -13.536 1.00 45.01 H new ATOM 0 HE1 PHE A 58 -37.359 58.590 -16.423 1.00 3.41 H new ATOM 0 HE2 PHE A 58 -38.455 60.405 -12.725 1.00 61.12 H new ATOM 0 HZ PHE A 58 -38.340 58.415 -14.172 1.00 24.45 H new ATOM 819 N ALA A 59 -33.357 61.441 -16.315 1.00 22.32 N ATOM 820 CA ALA A 59 -32.704 60.376 -17.068 1.00 0.03 C ATOM 821 C ALA A 59 -33.714 59.333 -17.531 1.00 31.23 C ATOM 822 O ALA A 59 -34.833 59.267 -17.020 1.00 71.12 O ATOM 823 CB ALA A 59 -31.618 59.723 -16.225 1.00 1.41 C ATOM 0 H ALA A 59 -32.975 61.593 -15.382 1.00 22.32 H new ATOM 0 HA ALA A 59 -32.246 60.818 -17.953 1.00 0.03 H new ATOM 0 HB1 ALA A 59 -31.139 58.930 -16.799 1.00 1.41 H new ATOM 0 HB2 ALA A 59 -30.874 60.470 -15.948 1.00 1.41 H new ATOM 0 HB3 ALA A 59 -32.062 59.301 -15.323 1.00 1.41 H new ATOM 829 N PHE A 60 -33.315 58.519 -18.502 1.00 62.34 N ATOM 830 CA PHE A 60 -34.187 57.480 -19.037 1.00 61.24 C ATOM 831 C PHE A 60 -33.424 56.170 -19.218 1.00 2.11 C ATOM 832 O PHE A 60 -32.233 56.120 -18.916 1.00 24.54 O ATOM 833 CB PHE A 60 -34.784 57.924 -20.374 1.00 31.23 C ATOM 834 CG PHE A 60 -33.761 58.418 -21.356 1.00 22.55 C ATOM 835 CD1 PHE A 60 -33.155 59.652 -21.182 1.00 44.21 C ATOM 836 CD2 PHE A 60 -33.402 57.647 -22.450 1.00 54.53 C ATOM 837 CE1 PHE A 60 -32.211 60.109 -22.083 1.00 11.13 C ATOM 838 CE2 PHE A 60 -32.460 58.100 -23.354 1.00 74.10 C ATOM 839 CZ PHE A 60 -31.863 59.332 -23.171 1.00 14.42 C ATOM 0 H PHE A 60 -32.392 58.559 -18.935 1.00 62.34 H new ATOM 0 HA PHE A 60 -34.994 57.315 -18.323 1.00 61.24 H new ATOM 0 HB2 PHE A 60 -35.325 57.088 -20.816 1.00 31.23 H new ATOM 0 HB3 PHE A 60 -35.512 58.714 -20.192 1.00 31.23 H new ATOM 0 HD1 PHE A 60 -33.423 60.264 -20.333 1.00 44.21 H new ATOM 0 HD2 PHE A 60 -33.863 56.682 -22.598 1.00 54.53 H new ATOM 0 HE1 PHE A 60 -31.746 61.073 -21.936 1.00 11.13 H new ATOM 0 HE2 PHE A 60 -32.191 57.490 -24.204 1.00 74.10 H new ATOM 0 HZ PHE A 60 -31.126 59.687 -23.876 1.00 14.42 H new ATOM 849 N CYS A 61 -34.120 55.152 -19.703 1.00 4.22 N ATOM 850 CA CYS A 61 -33.497 53.856 -19.915 1.00 54.14 C ATOM 851 C CYS A 61 -33.350 53.636 -21.424 1.00 13.24 C ATOM 852 O CYS A 61 -34.320 53.410 -22.147 1.00 4.42 O ATOM 853 CB CYS A 61 -34.292 52.731 -19.250 1.00 74.31 C ATOM 854 SG CYS A 61 -33.458 51.126 -19.529 1.00 75.04 S ATOM 0 H CYS A 61 -35.107 55.198 -19.955 1.00 4.22 H new ATOM 0 HA CYS A 61 -32.512 53.841 -19.448 1.00 54.14 H new ATOM 0 HB2 CYS A 61 -34.383 52.922 -18.181 1.00 74.31 H new ATOM 0 HB3 CYS A 61 -35.303 52.700 -19.656 1.00 74.31 H new ATOM 0 HG CYS A 61 -33.867 50.265 -18.645 1.00 75.04 H new ATOM 859 N ARG A 62 -32.106 53.710 -21.883 1.00 3.12 N ATOM 860 CA ARG A 62 -31.801 53.525 -23.296 1.00 12.42 C ATOM 861 C ARG A 62 -32.152 52.111 -23.748 1.00 13.22 C ATOM 862 O ARG A 62 -32.294 51.847 -24.942 1.00 64.11 O ATOM 863 CB ARG A 62 -30.320 53.802 -23.560 1.00 44.32 C ATOM 864 CG ARG A 62 -29.399 52.682 -23.104 1.00 10.31 C ATOM 865 CD ARG A 62 -28.363 52.345 -24.164 1.00 11.30 C ATOM 866 NE ARG A 62 -27.926 50.954 -24.080 1.00 41.22 N ATOM 867 CZ ARG A 62 -28.694 49.922 -24.412 1.00 34.10 C ATOM 868 NH1 ARG A 62 -29.930 50.123 -24.848 1.00 25.21 N ATOM 869 NH2 ARG A 62 -28.225 48.684 -24.308 1.00 45.44 N ATOM 0 H ARG A 62 -31.292 53.897 -21.297 1.00 3.12 H new ATOM 0 HA ARG A 62 -32.404 54.231 -23.867 1.00 12.42 H new ATOM 0 HB2 ARG A 62 -30.175 53.968 -24.627 1.00 44.32 H new ATOM 0 HB3 ARG A 62 -30.036 54.724 -23.053 1.00 44.32 H new ATOM 0 HG2 ARG A 62 -28.896 52.976 -22.183 1.00 10.31 H new ATOM 0 HG3 ARG A 62 -29.989 51.795 -22.876 1.00 10.31 H new ATOM 0 HD2 ARG A 62 -28.781 52.534 -25.153 1.00 11.30 H new ATOM 0 HD3 ARG A 62 -27.501 53.003 -24.051 1.00 11.30 H new ATOM 0 HE ARG A 62 -26.980 50.765 -23.749 1.00 41.22 H new ATOM 0 HH11 ARG A 62 -30.294 51.072 -24.929 1.00 25.21 H new ATOM 0 HH12 ARG A 62 -30.517 49.328 -25.102 1.00 25.21 H new ATOM 0 HH21 ARG A 62 -27.275 48.525 -23.973 1.00 45.44 H new ATOM 0 HH22 ARG A 62 -28.815 47.892 -24.563 1.00 45.44 H new ATOM 883 N GLU A 63 -32.295 51.205 -22.784 1.00 63.24 N ATOM 884 CA GLU A 63 -32.628 49.818 -23.084 1.00 54.32 C ATOM 885 C GLU A 63 -34.081 49.695 -23.538 1.00 61.43 C ATOM 886 O GLU A 63 -34.355 48.968 -24.491 1.00 62.14 O ATOM 887 CB GLU A 63 -32.389 48.936 -21.858 1.00 14.52 C ATOM 888 CG GLU A 63 -31.552 47.701 -22.149 1.00 10.24 C ATOM 889 CD GLU A 63 -32.011 46.488 -21.364 1.00 72.03 C ATOM 890 OE1 GLU A 63 -31.647 46.377 -20.174 1.00 44.44 O ATOM 891 OE2 GLU A 63 -32.734 45.648 -21.940 1.00 12.05 O ATOM 0 H GLU A 63 -32.185 51.407 -21.790 1.00 63.24 H new ATOM 0 HA GLU A 63 -31.981 49.482 -23.895 1.00 54.32 H new ATOM 0 HB2 GLU A 63 -31.894 49.527 -21.087 1.00 14.52 H new ATOM 0 HB3 GLU A 63 -33.351 48.625 -21.452 1.00 14.52 H new ATOM 0 HG2 GLU A 63 -31.598 47.478 -23.215 1.00 10.24 H new ATOM 0 HG3 GLU A 63 -30.509 47.909 -21.912 1.00 10.24 H new ATOM 898 N CYS A 64 -34.969 50.400 -22.854 1.00 22.44 N ATOM 899 CA CYS A 64 -36.380 50.360 -23.194 1.00 71.14 C ATOM 900 C CYS A 64 -36.816 51.768 -23.602 1.00 14.13 C ATOM 901 O CYS A 64 -38.002 52.074 -23.730 1.00 23.44 O ATOM 902 CB CYS A 64 -37.226 49.811 -22.043 1.00 21.31 C ATOM 903 SG CYS A 64 -36.892 50.760 -20.514 1.00 34.12 S ATOM 0 H CYS A 64 -34.738 51.003 -22.065 1.00 22.44 H new ATOM 0 HA CYS A 64 -36.535 49.676 -24.029 1.00 71.14 H new ATOM 0 HB2 CYS A 64 -38.284 49.874 -22.296 1.00 21.31 H new ATOM 0 HB3 CYS A 64 -36.998 48.757 -21.884 1.00 21.31 H new ATOM 0 HG CYS A 64 -35.614 50.763 -20.275 1.00 34.12 H new ATOM 908 N LYS A 65 -35.823 52.628 -23.802 1.00 34.33 N ATOM 909 CA LYS A 65 -36.074 54.009 -24.196 1.00 73.22 C ATOM 910 C LYS A 65 -37.285 54.573 -23.461 1.00 62.11 C ATOM 911 O LYS A 65 -38.010 55.411 -23.994 1.00 54.42 O ATOM 912 CB LYS A 65 -36.295 54.097 -25.708 1.00 53.44 C ATOM 913 CG LYS A 65 -37.001 52.886 -26.292 1.00 1.22 C ATOM 914 CD LYS A 65 -37.259 53.054 -27.779 1.00 64.33 C ATOM 915 CE LYS A 65 -38.601 53.718 -28.041 1.00 13.32 C ATOM 916 NZ LYS A 65 -38.446 55.044 -28.700 1.00 54.33 N ATOM 0 H LYS A 65 -34.836 52.392 -23.698 1.00 34.33 H new ATOM 0 HA LYS A 65 -35.200 54.602 -23.927 1.00 73.22 H new ATOM 0 HB2 LYS A 65 -36.880 54.990 -25.930 1.00 53.44 H new ATOM 0 HB3 LYS A 65 -35.330 54.217 -26.201 1.00 53.44 H new ATOM 0 HG2 LYS A 65 -36.395 51.995 -26.125 1.00 1.22 H new ATOM 0 HG3 LYS A 65 -37.947 52.730 -25.773 1.00 1.22 H new ATOM 0 HD2 LYS A 65 -36.463 53.653 -28.222 1.00 64.33 H new ATOM 0 HD3 LYS A 65 -37.233 52.079 -28.266 1.00 64.33 H new ATOM 0 HE2 LYS A 65 -39.210 53.069 -28.670 1.00 13.32 H new ATOM 0 HE3 LYS A 65 -39.135 53.841 -27.099 1.00 13.32 H new ATOM 0 HZ1 LYS A 65 -39.384 55.463 -28.861 1.00 54.33 H new ATOM 0 HZ2 LYS A 65 -37.886 55.672 -28.089 1.00 54.33 H new ATOM 0 HZ3 LYS A 65 -37.959 54.924 -29.611 1.00 54.33 H new ATOM 930 N GLU A 66 -37.495 54.109 -22.233 1.00 2.21 N ATOM 931 CA GLU A 66 -38.617 54.569 -21.424 1.00 11.41 C ATOM 932 C GLU A 66 -38.131 55.175 -20.111 1.00 72.40 C ATOM 933 O GLU A 66 -36.945 55.113 -19.789 1.00 24.22 O ATOM 934 CB GLU A 66 -39.578 53.413 -21.140 1.00 22.12 C ATOM 935 CG GLU A 66 -40.424 53.015 -22.338 1.00 22.15 C ATOM 936 CD GLU A 66 -41.831 53.574 -22.270 1.00 64.10 C ATOM 937 OE1 GLU A 66 -42.010 54.770 -22.585 1.00 5.21 O ATOM 938 OE2 GLU A 66 -42.755 52.817 -21.903 1.00 40.52 O ATOM 0 H GLU A 66 -36.903 53.415 -21.777 1.00 2.21 H new ATOM 0 HA GLU A 66 -39.144 55.340 -21.986 1.00 11.41 H new ATOM 0 HB2 GLU A 66 -39.004 52.548 -20.808 1.00 22.12 H new ATOM 0 HB3 GLU A 66 -40.237 53.693 -20.318 1.00 22.12 H new ATOM 0 HG2 GLU A 66 -39.942 53.365 -23.251 1.00 22.15 H new ATOM 0 HG3 GLU A 66 -40.472 51.928 -22.399 1.00 22.15 H new ATOM 945 N ALA A 67 -39.057 55.762 -19.358 1.00 62.42 N ATOM 946 CA ALA A 67 -38.722 56.378 -18.080 1.00 34.01 C ATOM 947 C ALA A 67 -37.974 55.402 -17.179 1.00 21.52 C ATOM 948 O ALA A 67 -38.350 54.235 -17.064 1.00 15.13 O ATOM 949 CB ALA A 67 -39.984 56.877 -17.389 1.00 60.52 C ATOM 0 H ALA A 67 -40.043 55.824 -19.611 1.00 62.42 H new ATOM 0 HA ALA A 67 -38.066 57.227 -18.274 1.00 34.01 H new ATOM 0 HB1 ALA A 67 -39.720 57.335 -16.436 1.00 60.52 H new ATOM 0 HB2 ALA A 67 -40.478 57.615 -18.022 1.00 60.52 H new ATOM 0 HB3 ALA A 67 -40.659 56.039 -17.214 1.00 60.52 H new ATOM 955 N TYR A 68 -36.913 55.885 -16.543 1.00 20.31 N ATOM 956 CA TYR A 68 -36.110 55.054 -15.653 1.00 12.12 C ATOM 957 C TYR A 68 -36.988 54.353 -14.621 1.00 61.20 C ATOM 958 O TYR A 68 -37.596 54.998 -13.766 1.00 51.01 O ATOM 959 CB TYR A 68 -35.050 55.901 -14.948 1.00 14.03 C ATOM 960 CG TYR A 68 -33.778 55.146 -14.639 1.00 11.35 C ATOM 961 CD1 TYR A 68 -33.641 54.433 -13.455 1.00 31.15 C ATOM 962 CD2 TYR A 68 -32.714 55.144 -15.531 1.00 65.11 C ATOM 963 CE1 TYR A 68 -32.479 53.741 -13.168 1.00 12.33 C ATOM 964 CE2 TYR A 68 -31.549 54.455 -15.254 1.00 54.14 C ATOM 965 CZ TYR A 68 -31.437 53.755 -14.070 1.00 63.33 C ATOM 966 OH TYR A 68 -30.278 53.067 -13.789 1.00 41.23 O ATOM 0 H TYR A 68 -36.588 56.848 -16.627 1.00 20.31 H new ATOM 0 HA TYR A 68 -35.614 54.294 -16.257 1.00 12.12 H new ATOM 0 HB2 TYR A 68 -34.809 56.761 -15.573 1.00 14.03 H new ATOM 0 HB3 TYR A 68 -35.467 56.289 -14.019 1.00 14.03 H new ATOM 0 HD1 TYR A 68 -34.456 54.419 -12.746 1.00 31.15 H new ATOM 0 HD2 TYR A 68 -32.799 55.691 -16.458 1.00 65.11 H new ATOM 0 HE1 TYR A 68 -32.388 53.192 -12.242 1.00 12.33 H new ATOM 0 HE2 TYR A 68 -30.731 54.464 -15.959 1.00 54.14 H new ATOM 0 HH TYR A 68 -29.517 53.684 -13.814 1.00 41.23 H new ATOM 976 N HIS A 69 -37.049 53.029 -14.707 1.00 33.32 N ATOM 977 CA HIS A 69 -37.852 52.238 -13.780 1.00 24.30 C ATOM 978 C HIS A 69 -37.081 51.962 -12.493 1.00 23.21 C ATOM 979 O HIS A 69 -37.673 51.663 -11.457 1.00 24.45 O ATOM 980 CB HIS A 69 -38.270 50.920 -14.431 1.00 4.24 C ATOM 981 CG HIS A 69 -37.281 50.404 -15.429 1.00 22.10 C ATOM 982 ND1 HIS A 69 -36.179 49.653 -15.079 1.00 12.51 N ATOM 983 CD2 HIS A 69 -37.233 50.534 -16.776 1.00 22.33 C ATOM 984 CE1 HIS A 69 -35.495 49.345 -16.166 1.00 53.14 C ATOM 985 NE2 HIS A 69 -36.113 49.866 -17.210 1.00 2.22 N ATOM 0 H HIS A 69 -36.552 52.480 -15.409 1.00 33.32 H new ATOM 0 HA HIS A 69 -38.746 52.811 -13.532 1.00 24.30 H new ATOM 0 HB2 HIS A 69 -38.414 50.170 -13.653 1.00 4.24 H new ATOM 0 HB3 HIS A 69 -39.233 51.057 -14.924 1.00 4.24 H new ATOM 0 HD2 HIS A 69 -37.943 51.064 -17.394 1.00 22.33 H new ATOM 0 HE1 HIS A 69 -34.584 48.765 -16.196 1.00 53.14 H new ATOM 0 HE2 HIS A 69 -35.809 49.786 -18.180 1.00 2.22 H new ATOM 993 N GLU A 70 -35.758 52.063 -12.568 1.00 62.13 N ATOM 994 CA GLU A 70 -34.907 51.822 -11.409 1.00 45.01 C ATOM 995 C GLU A 70 -35.064 50.389 -10.907 1.00 10.51 C ATOM 996 O GLU A 70 -35.242 50.156 -9.712 1.00 14.04 O ATOM 997 CB GLU A 70 -35.242 52.809 -10.288 1.00 31.12 C ATOM 998 CG GLU A 70 -34.079 53.085 -9.352 1.00 25.53 C ATOM 999 CD GLU A 70 -34.516 53.719 -8.047 1.00 32.33 C ATOM 1000 OE1 GLU A 70 -35.618 54.305 -8.012 1.00 15.21 O ATOM 1001 OE2 GLU A 70 -33.757 53.627 -7.058 1.00 73.05 O ATOM 0 H GLU A 70 -35.252 52.310 -13.419 1.00 62.13 H new ATOM 0 HA GLU A 70 -33.871 51.969 -11.714 1.00 45.01 H new ATOM 0 HB2 GLU A 70 -35.572 53.749 -10.730 1.00 31.12 H new ATOM 0 HB3 GLU A 70 -36.078 52.418 -9.709 1.00 31.12 H new ATOM 0 HG2 GLU A 70 -33.558 52.151 -9.141 1.00 25.53 H new ATOM 0 HG3 GLU A 70 -33.366 53.742 -9.849 1.00 25.53 H new ATOM 1008 N GLY A 71 -35.000 49.435 -11.829 1.00 33.11 N ATOM 1009 CA GLY A 71 -35.139 48.037 -11.460 1.00 50.04 C ATOM 1010 C GLY A 71 -34.785 47.100 -12.597 1.00 63.21 C ATOM 1011 O GLY A 71 -33.796 46.371 -12.523 1.00 4.40 O ATOM 0 H GLY A 71 -34.855 49.604 -12.824 1.00 33.11 H new ATOM 0 HA2 GLY A 71 -34.497 47.825 -10.605 1.00 50.04 H new ATOM 0 HA3 GLY A 71 -36.165 47.848 -11.143 1.00 50.04 H new ATOM 1015 N GLU A 72 -35.594 47.118 -13.651 1.00 74.14 N ATOM 1016 CA GLU A 72 -35.362 46.260 -14.808 1.00 64.03 C ATOM 1017 C GLU A 72 -36.461 46.441 -15.849 1.00 73.55 C ATOM 1018 O GLU A 72 -37.627 46.576 -15.479 1.00 65.51 O ATOM 1019 CB GLU A 72 -35.287 44.794 -14.376 1.00 41.01 C ATOM 1020 CG GLU A 72 -33.908 44.179 -14.543 1.00 14.10 C ATOM 1021 CD GLU A 72 -33.814 43.279 -15.760 1.00 65.40 C ATOM 1022 OE1 GLU A 72 -34.857 42.740 -16.183 1.00 10.33 O ATOM 1023 OE2 GLU A 72 -32.694 43.117 -16.290 1.00 72.24 O ATOM 0 H GLU A 72 -36.416 47.717 -13.728 1.00 74.14 H new ATOM 0 HA GLU A 72 -34.411 46.547 -15.257 1.00 64.03 H new ATOM 0 HB2 GLU A 72 -35.586 44.717 -13.331 1.00 41.01 H new ATOM 0 HB3 GLU A 72 -36.006 44.216 -14.957 1.00 41.01 H new ATOM 0 HG2 GLU A 72 -33.167 44.974 -14.626 1.00 14.10 H new ATOM 0 HG3 GLU A 72 -33.660 43.604 -13.651 1.00 14.10 H new ATOM 1030 N CYS A 73 -36.072 46.441 -17.116 1.00 70.11 N ATOM 1031 CA CYS A 73 -37.032 46.605 -18.194 1.00 4.10 C ATOM 1032 C CYS A 73 -38.152 45.582 -18.001 1.00 23.52 C ATOM 1033 O CYS A 73 -39.265 45.728 -18.506 1.00 5.12 O ATOM 1034 CB CYS A 73 -36.369 46.473 -19.567 1.00 71.51 C ATOM 1035 SG CYS A 73 -34.956 47.628 -19.694 1.00 22.32 S ATOM 0 H CYS A 73 -35.105 46.330 -17.420 1.00 70.11 H new ATOM 0 HA CYS A 73 -37.451 47.611 -18.161 1.00 4.10 H new ATOM 0 HB2 CYS A 73 -36.027 45.449 -19.718 1.00 71.51 H new ATOM 0 HB3 CYS A 73 -37.095 46.685 -20.352 1.00 71.51 H new ATOM 0 HG CYS A 73 -35.391 48.813 -20.003 1.00 22.32 H new