USER MOD reduce.3.24.130724 H: found=0, std=0, add=315, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 309 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 GLN : amide:sc= -0.824 K(o=-1.7,f=-4.4!) USER MOD Set 1.2: A 61 CYS SG : rot 149:sc= -1.48 USER MOD Set 1.3: A 64 CYS SG : rot -159:sc= 0.523 USER MOD Set 1.4: A 69 HIS :FLIP no HE2:sc= 1.32 F(o=-7.8!,f=-1.7) USER MOD Set 1.5: A 73 CYS SG : rot -89:sc= -1.28 USER MOD Set 2.1: A 28 CYS SG : rot 132:sc= 1.15 USER MOD Set 2.2: A 33 CYS SG : rot -172:sc= 0.0843 USER MOD Set 2.3: A 48 CYS SG : rot 32:sc= 1.17 USER MOD Set 2.4: A 56 CYS SG : rot 134:sc= 0.868 USER MOD Single : A 23 MET CE :methyl -122:sc= -2.88 (180deg=-5.77!) USER MOD Single : A 45 LYS NZ :NH3+ 155:sc= -0.0491 (180deg=-0.34) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot -130:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 341 N MET A 23 -33.262 49.606 -28.180 1.00 13.02 N ATOM 342 CA MET A 23 -32.392 50.605 -27.567 1.00 21.40 C ATOM 343 C MET A 23 -31.502 51.265 -28.614 1.00 12.22 C ATOM 344 O MET A 23 -31.521 50.891 -29.786 1.00 72.42 O ATOM 345 CB MET A 23 -31.529 49.961 -26.480 1.00 71.35 C ATOM 346 CG MET A 23 -30.174 49.488 -26.980 1.00 20.31 C ATOM 347 SD MET A 23 -30.303 48.407 -28.418 1.00 32.33 S ATOM 348 CE MET A 23 -29.278 49.285 -29.595 1.00 15.43 C ATOM 0 HA MET A 23 -33.021 51.372 -27.115 1.00 21.40 H new ATOM 0 HB2 MET A 23 -31.379 50.679 -25.674 1.00 71.35 H new ATOM 0 HB3 MET A 23 -32.067 49.113 -26.056 1.00 71.35 H new ATOM 0 HG2 MET A 23 -29.563 50.354 -27.235 1.00 20.31 H new ATOM 0 HG3 MET A 23 -29.659 48.959 -26.178 1.00 20.31 H new ATOM 0 HE1 MET A 23 -29.866 49.526 -30.481 1.00 15.43 H new ATOM 0 HE2 MET A 23 -28.910 50.205 -29.142 1.00 15.43 H new ATOM 0 HE3 MET A 23 -28.433 48.658 -29.880 1.00 15.43 H new ATOM 358 N GLY A 24 -30.720 52.252 -28.183 1.00 61.31 N ATOM 359 CA GLY A 24 -29.834 52.950 -29.097 1.00 62.04 C ATOM 360 C GLY A 24 -30.590 53.772 -30.123 1.00 1.04 C ATOM 361 O GLY A 24 -31.614 53.337 -30.645 1.00 5.10 O ATOM 0 H GLY A 24 -30.685 52.580 -27.218 1.00 61.31 H new ATOM 0 HA2 GLY A 24 -29.172 53.603 -28.529 1.00 62.04 H new ATOM 0 HA3 GLY A 24 -29.202 52.225 -29.611 1.00 62.04 H new ATOM 365 N GLY A 25 -30.081 54.968 -30.409 1.00 35.22 N ATOM 366 CA GLY A 25 -30.729 55.835 -31.375 1.00 4.32 C ATOM 367 C GLY A 25 -32.111 56.269 -30.931 1.00 74.23 C ATOM 368 O GLY A 25 -33.029 56.373 -31.745 1.00 54.44 O ATOM 0 H GLY A 25 -29.233 55.350 -29.989 1.00 35.22 H new ATOM 0 HA2 GLY A 25 -30.110 56.717 -31.539 1.00 4.32 H new ATOM 0 HA3 GLY A 25 -30.804 55.316 -32.331 1.00 4.32 H new ATOM 372 N VAL A 26 -32.263 56.523 -29.635 1.00 63.21 N ATOM 373 CA VAL A 26 -33.543 56.947 -29.082 1.00 54.32 C ATOM 374 C VAL A 26 -33.537 58.438 -28.762 1.00 25.05 C ATOM 375 O VAL A 26 -32.477 59.046 -28.605 1.00 42.14 O ATOM 376 CB VAL A 26 -33.893 56.160 -27.806 1.00 32.34 C ATOM 377 CG1 VAL A 26 -33.872 54.665 -28.077 1.00 65.35 C ATOM 378 CG2 VAL A 26 -32.935 56.519 -26.680 1.00 2.32 C ATOM 0 H VAL A 26 -31.514 56.442 -28.948 1.00 63.21 H new ATOM 0 HA VAL A 26 -34.298 56.745 -29.842 1.00 54.32 H new ATOM 0 HB VAL A 26 -34.902 56.434 -27.497 1.00 32.34 H new ATOM 0 HG11 VAL A 26 -34.122 54.126 -27.163 1.00 65.35 H new ATOM 0 HG12 VAL A 26 -34.601 54.425 -28.851 1.00 65.35 H new ATOM 0 HG13 VAL A 26 -32.878 54.370 -28.412 1.00 65.35 H new ATOM 0 HG21 VAL A 26 -33.197 55.954 -25.786 1.00 2.32 H new ATOM 0 HG22 VAL A 26 -31.915 56.275 -26.978 1.00 2.32 H new ATOM 0 HG23 VAL A 26 -33.006 57.586 -26.469 1.00 2.32 H new ATOM 388 N LEU A 27 -34.727 59.022 -28.665 1.00 4.04 N ATOM 389 CA LEU A 27 -34.858 60.442 -28.363 1.00 21.22 C ATOM 390 C LEU A 27 -35.755 60.659 -27.149 1.00 53.11 C ATOM 391 O LEU A 27 -36.427 59.721 -26.720 1.00 43.33 O ATOM 392 CB LEU A 27 -35.426 61.191 -29.571 1.00 72.31 C ATOM 393 CG LEU A 27 -36.696 60.604 -30.187 1.00 73.31 C ATOM 394 CD1 LEU A 27 -37.933 61.222 -29.553 1.00 22.41 C ATOM 395 CD2 LEU A 27 -36.706 60.817 -31.693 1.00 64.04 C ATOM 0 H LEU A 27 -35.614 58.534 -28.791 1.00 4.04 H new ATOM 0 HA LEU A 27 -33.866 60.833 -28.135 1.00 21.22 H new ATOM 0 HB2 LEU A 27 -35.632 62.219 -29.272 1.00 72.31 H new ATOM 0 HB3 LEU A 27 -34.657 61.232 -30.343 1.00 72.31 H new ATOM 0 HG LEU A 27 -36.709 59.532 -29.991 1.00 73.31 H new ATOM 0 HD11 LEU A 27 -38.827 60.792 -30.004 1.00 22.41 H new ATOM 0 HD12 LEU A 27 -37.933 61.018 -28.482 1.00 22.41 H new ATOM 0 HD13 LEU A 27 -37.926 62.300 -29.717 1.00 22.41 H new ATOM 0 HD21 LEU A 27 -37.617 60.393 -32.114 1.00 64.04 H new ATOM 0 HD22 LEU A 27 -36.669 61.885 -31.910 1.00 64.04 H new ATOM 0 HD23 LEU A 27 -35.839 60.326 -32.136 1.00 64.04 H new ATOM 407 N CYS A 28 -35.750 61.878 -26.627 1.00 62.43 N ATOM 408 CA CYS A 28 -36.567 62.200 -25.470 1.00 71.45 C ATOM 409 C CYS A 28 -38.034 61.977 -25.841 1.00 12.30 C ATOM 410 O CYS A 28 -38.609 62.630 -26.714 1.00 4.04 O ATOM 411 CB CYS A 28 -36.312 63.626 -24.977 1.00 53.23 C ATOM 412 SG CYS A 28 -36.643 63.736 -23.182 1.00 33.11 S ATOM 0 H CYS A 28 -35.193 62.654 -26.985 1.00 62.43 H new ATOM 0 HA CYS A 28 -36.301 61.546 -24.640 1.00 71.45 H new ATOM 0 HB2 CYS A 28 -35.281 63.912 -25.183 1.00 53.23 H new ATOM 0 HB3 CYS A 28 -36.950 64.326 -25.516 1.00 53.23 H new ATOM 0 HG CYS A 28 -35.652 64.338 -22.594 1.00 33.11 H new ATOM 417 N PRO A 29 -38.656 61.014 -25.145 1.00 44.41 N ATOM 418 CA PRO A 29 -40.061 60.661 -25.362 1.00 51.53 C ATOM 419 C PRO A 29 -41.014 61.753 -24.889 1.00 31.14 C ATOM 420 O PRO A 29 -42.232 61.629 -25.021 1.00 30.43 O ATOM 421 CB PRO A 29 -40.243 59.393 -24.524 1.00 65.24 C ATOM 422 CG PRO A 29 -39.203 59.489 -23.463 1.00 25.04 C ATOM 423 CD PRO A 29 -38.033 60.195 -24.090 1.00 42.53 C ATOM 0 HA PRO A 29 -40.287 60.525 -26.420 1.00 51.53 H new ATOM 0 HB2 PRO A 29 -41.244 59.342 -24.094 1.00 65.24 H new ATOM 0 HB3 PRO A 29 -40.110 58.496 -25.129 1.00 65.24 H new ATOM 0 HG2 PRO A 29 -39.576 60.042 -22.601 1.00 25.04 H new ATOM 0 HG3 PRO A 29 -38.916 58.499 -23.107 1.00 25.04 H new ATOM 0 HD2 PRO A 29 -37.499 60.810 -23.366 1.00 42.53 H new ATOM 0 HD3 PRO A 29 -37.311 59.490 -24.502 1.00 42.53 H new ATOM 431 N ARG A 30 -40.451 62.823 -24.336 1.00 2.13 N ATOM 432 CA ARG A 30 -41.251 63.937 -23.841 1.00 1.15 C ATOM 433 C ARG A 30 -41.793 64.773 -24.997 1.00 72.23 C ATOM 434 O ARG A 30 -41.219 64.819 -26.085 1.00 63.43 O ATOM 435 CB ARG A 30 -40.416 64.817 -22.909 1.00 4.32 C ATOM 436 CG ARG A 30 -39.956 64.104 -21.648 1.00 24.10 C ATOM 437 CD ARG A 30 -41.119 63.827 -20.709 1.00 61.35 C ATOM 438 NE ARG A 30 -41.515 65.017 -19.962 1.00 22.10 N ATOM 439 CZ ARG A 30 -42.628 65.094 -19.239 1.00 51.43 C ATOM 440 NH1 ARG A 30 -43.450 64.057 -19.169 1.00 24.34 N ATOM 441 NH2 ARG A 30 -42.919 66.212 -18.587 1.00 54.11 N ATOM 0 H ARG A 30 -39.445 62.942 -24.220 1.00 2.13 H new ATOM 0 HA ARG A 30 -42.094 63.528 -23.285 1.00 1.15 H new ATOM 0 HB2 ARG A 30 -39.542 65.179 -23.451 1.00 4.32 H new ATOM 0 HB3 ARG A 30 -41.002 65.692 -22.628 1.00 4.32 H new ATOM 0 HG2 ARG A 30 -39.472 63.165 -21.916 1.00 24.10 H new ATOM 0 HG3 ARG A 30 -39.211 64.713 -21.136 1.00 24.10 H new ATOM 0 HD2 ARG A 30 -41.969 63.460 -21.284 1.00 61.35 H new ATOM 0 HD3 ARG A 30 -40.841 63.037 -20.011 1.00 61.35 H new ATOM 0 HE ARG A 30 -40.905 65.834 -19.997 1.00 22.10 H new ATOM 0 HH11 ARG A 30 -43.230 63.197 -19.671 1.00 24.34 H new ATOM 0 HH12 ARG A 30 -44.303 64.119 -18.613 1.00 24.34 H new ATOM 0 HH21 ARG A 30 -42.289 67.012 -18.640 1.00 54.11 H new ATOM 0 HH22 ARG A 30 -43.773 66.271 -18.032 1.00 54.11 H new ATOM 455 N PRO A 31 -42.926 65.450 -24.757 1.00 44.32 N ATOM 456 CA PRO A 31 -43.571 66.296 -25.767 1.00 10.15 C ATOM 457 C PRO A 31 -42.765 67.555 -26.067 1.00 1.24 C ATOM 458 O PRO A 31 -42.356 68.275 -25.155 1.00 42.44 O ATOM 459 CB PRO A 31 -44.910 66.659 -25.122 1.00 34.15 C ATOM 460 CG PRO A 31 -44.667 66.550 -23.655 1.00 52.03 C ATOM 461 CD PRO A 31 -43.664 65.442 -23.484 1.00 44.43 C ATOM 0 HA PRO A 31 -43.669 65.786 -26.725 1.00 10.15 H new ATOM 0 HB2 PRO A 31 -45.222 67.666 -25.398 1.00 34.15 H new ATOM 0 HB3 PRO A 31 -45.701 65.981 -25.444 1.00 34.15 H new ATOM 0 HG2 PRO A 31 -44.285 67.488 -23.252 1.00 52.03 H new ATOM 0 HG3 PRO A 31 -45.591 66.326 -23.122 1.00 52.03 H new ATOM 0 HD2 PRO A 31 -43.004 65.625 -22.636 1.00 44.43 H new ATOM 0 HD3 PRO A 31 -44.151 64.483 -23.308 1.00 44.43 H new ATOM 469 N GLY A 32 -42.540 67.818 -27.351 1.00 4.21 N ATOM 470 CA GLY A 32 -41.785 68.992 -27.747 1.00 45.03 C ATOM 471 C GLY A 32 -40.288 68.763 -27.690 1.00 2.35 C ATOM 472 O GLY A 32 -39.607 68.996 -28.689 1.00 30.34 O ATOM 0 H GLY A 32 -42.867 67.239 -28.124 1.00 4.21 H new ATOM 0 HA2 GLY A 32 -42.068 69.278 -28.760 1.00 45.03 H new ATOM 0 HA3 GLY A 32 -42.047 69.826 -27.096 1.00 45.03 H new ATOM 476 N CYS A 33 -39.803 68.322 -26.538 1.00 61.54 N ATOM 477 CA CYS A 33 -38.382 68.072 -26.371 1.00 62.01 C ATOM 478 C CYS A 33 -37.999 66.875 -27.245 1.00 21.42 C ATOM 479 O CYS A 33 -38.284 65.720 -26.931 1.00 73.14 O ATOM 480 CB CYS A 33 -38.016 67.845 -24.903 1.00 14.14 C ATOM 481 SG CYS A 33 -36.317 67.180 -24.775 1.00 42.14 S ATOM 0 H CYS A 33 -40.370 68.132 -25.711 1.00 61.54 H new ATOM 0 HA CYS A 33 -37.817 68.949 -26.687 1.00 62.01 H new ATOM 0 HB2 CYS A 33 -38.090 68.783 -24.352 1.00 14.14 H new ATOM 0 HB3 CYS A 33 -38.722 67.151 -24.447 1.00 14.14 H new ATOM 0 HG CYS A 33 -36.080 66.829 -23.546 1.00 42.14 H new ATOM 486 N GLY A 34 -37.340 67.180 -28.357 1.00 4.33 N ATOM 487 CA GLY A 34 -36.916 66.142 -29.277 1.00 52.44 C ATOM 488 C GLY A 34 -35.425 65.872 -29.201 1.00 31.01 C ATOM 489 O GLY A 34 -34.729 65.909 -30.215 1.00 1.51 O ATOM 0 H GLY A 34 -37.092 68.129 -28.638 1.00 4.33 H new ATOM 0 HA2 GLY A 34 -37.460 65.223 -29.059 1.00 52.44 H new ATOM 0 HA3 GLY A 34 -37.178 66.433 -30.294 1.00 52.44 H new ATOM 493 N ALA A 35 -34.936 65.601 -27.995 1.00 40.34 N ATOM 494 CA ALA A 35 -33.520 65.325 -27.791 1.00 65.50 C ATOM 495 C ALA A 35 -33.129 63.981 -28.398 1.00 53.54 C ATOM 496 O ALA A 35 -33.398 62.928 -27.823 1.00 31.54 O ATOM 497 CB ALA A 35 -33.186 65.353 -26.307 1.00 63.42 C ATOM 0 H ALA A 35 -35.500 65.567 -27.146 1.00 40.34 H new ATOM 0 HA ALA A 35 -32.947 66.102 -28.296 1.00 65.50 H new ATOM 0 HB1 ALA A 35 -32.125 65.145 -26.169 1.00 63.42 H new ATOM 0 HB2 ALA A 35 -33.419 66.337 -25.900 1.00 63.42 H new ATOM 0 HB3 ALA A 35 -33.774 64.597 -25.787 1.00 63.42 H new ATOM 503 N GLY A 36 -32.496 64.026 -29.566 1.00 44.25 N ATOM 504 CA GLY A 36 -32.080 62.806 -30.232 1.00 4.35 C ATOM 505 C GLY A 36 -30.613 62.496 -30.012 1.00 23.14 C ATOM 506 O GLY A 36 -29.963 61.891 -30.865 1.00 60.12 O ATOM 0 H GLY A 36 -32.264 64.886 -30.063 1.00 44.25 H new ATOM 0 HA2 GLY A 36 -32.682 61.974 -29.868 1.00 4.35 H new ATOM 0 HA3 GLY A 36 -32.273 62.896 -31.301 1.00 4.35 H new ATOM 510 N LEU A 37 -30.088 62.912 -28.863 1.00 61.14 N ATOM 511 CA LEU A 37 -28.687 62.676 -28.533 1.00 45.04 C ATOM 512 C LEU A 37 -28.436 61.200 -28.241 1.00 41.40 C ATOM 513 O LEU A 37 -29.111 60.600 -27.404 1.00 33.04 O ATOM 514 CB LEU A 37 -28.277 63.524 -27.328 1.00 61.14 C ATOM 515 CG LEU A 37 -29.195 63.444 -26.108 1.00 53.34 C ATOM 516 CD1 LEU A 37 -28.648 62.455 -25.090 1.00 2.34 C ATOM 517 CD2 LEU A 37 -29.368 64.819 -25.480 1.00 43.24 C ATOM 0 H LEU A 37 -30.612 63.414 -28.146 1.00 61.14 H new ATOM 0 HA LEU A 37 -28.083 62.963 -29.394 1.00 45.04 H new ATOM 0 HB2 LEU A 37 -27.274 63.225 -27.023 1.00 61.14 H new ATOM 0 HB3 LEU A 37 -28.217 64.565 -27.645 1.00 61.14 H new ATOM 0 HG LEU A 37 -30.173 63.091 -26.436 1.00 53.34 H new ATOM 0 HD11 LEU A 37 -29.315 62.412 -24.229 1.00 2.34 H new ATOM 0 HD12 LEU A 37 -28.578 61.467 -25.544 1.00 2.34 H new ATOM 0 HD13 LEU A 37 -27.658 62.776 -24.766 1.00 2.34 H new ATOM 0 HD21 LEU A 37 -30.024 64.743 -24.613 1.00 43.24 H new ATOM 0 HD22 LEU A 37 -28.396 65.201 -25.167 1.00 43.24 H new ATOM 0 HD23 LEU A 37 -29.808 65.499 -26.209 1.00 43.24 H new ATOM 529 N LEU A 38 -27.462 60.623 -28.933 1.00 65.53 N ATOM 530 CA LEU A 38 -27.119 59.216 -28.746 1.00 41.13 C ATOM 531 C LEU A 38 -26.685 58.948 -27.309 1.00 74.35 C ATOM 532 O LEU A 38 -25.632 59.398 -26.859 1.00 34.54 O ATOM 533 CB LEU A 38 -26.006 58.809 -29.712 1.00 60.51 C ATOM 534 CG LEU A 38 -25.415 57.414 -29.504 1.00 63.54 C ATOM 535 CD1 LEU A 38 -26.442 56.343 -29.845 1.00 21.34 C ATOM 536 CD2 LEU A 38 -24.160 57.236 -30.346 1.00 21.31 C ATOM 0 H LEU A 38 -26.895 61.106 -29.629 1.00 65.53 H new ATOM 0 HA LEU A 38 -28.008 58.620 -28.955 1.00 41.13 H new ATOM 0 HB2 LEU A 38 -26.394 58.870 -30.729 1.00 60.51 H new ATOM 0 HB3 LEU A 38 -25.200 59.539 -29.635 1.00 60.51 H new ATOM 0 HG LEU A 38 -25.143 57.308 -28.454 1.00 63.54 H new ATOM 0 HD11 LEU A 38 -26.004 55.357 -29.691 1.00 21.34 H new ATOM 0 HD12 LEU A 38 -27.314 56.457 -29.201 1.00 21.34 H new ATOM 0 HD13 LEU A 38 -26.744 56.447 -30.887 1.00 21.34 H new ATOM 0 HD21 LEU A 38 -23.753 56.238 -30.186 1.00 21.31 H new ATOM 0 HD22 LEU A 38 -24.408 57.362 -31.400 1.00 21.31 H new ATOM 0 HD23 LEU A 38 -23.419 57.981 -30.056 1.00 21.31 H new ATOM 548 N PRO A 39 -27.515 58.195 -26.571 1.00 24.41 N ATOM 549 CA PRO A 39 -27.237 57.847 -25.174 1.00 21.30 C ATOM 550 C PRO A 39 -26.072 56.871 -25.040 1.00 41.13 C ATOM 551 O PRO A 39 -25.844 56.039 -25.919 1.00 34.13 O ATOM 552 CB PRO A 39 -28.539 57.193 -24.705 1.00 14.33 C ATOM 553 CG PRO A 39 -29.167 56.666 -25.948 1.00 62.42 C ATOM 554 CD PRO A 39 -28.786 57.624 -27.043 1.00 35.43 C ATOM 0 HA PRO A 39 -26.946 58.718 -24.587 1.00 21.30 H new ATOM 0 HB2 PRO A 39 -28.345 56.394 -23.990 1.00 14.33 H new ATOM 0 HB3 PRO A 39 -29.188 57.914 -24.209 1.00 14.33 H new ATOM 0 HG2 PRO A 39 -28.811 55.660 -26.169 1.00 62.42 H new ATOM 0 HG3 PRO A 39 -30.250 56.605 -25.842 1.00 62.42 H new ATOM 0 HD2 PRO A 39 -28.667 57.114 -27.999 1.00 35.43 H new ATOM 0 HD3 PRO A 39 -29.544 58.394 -27.185 1.00 35.43 H new ATOM 562 N GLU A 40 -25.340 56.977 -23.937 1.00 52.43 N ATOM 563 CA GLU A 40 -24.198 56.103 -23.690 1.00 54.21 C ATOM 564 C GLU A 40 -24.594 54.637 -23.845 1.00 33.21 C ATOM 565 O GLU A 40 -25.770 54.275 -23.790 1.00 25.05 O ATOM 566 CB GLU A 40 -23.635 56.347 -22.289 1.00 51.31 C ATOM 567 CG GLU A 40 -22.680 57.526 -22.213 1.00 20.24 C ATOM 568 CD GLU A 40 -21.258 57.152 -22.582 1.00 52.25 C ATOM 569 OE1 GLU A 40 -21.039 56.715 -23.730 1.00 63.15 O ATOM 570 OE2 GLU A 40 -20.365 57.294 -21.722 1.00 12.14 O ATOM 0 H GLU A 40 -25.516 57.659 -23.199 1.00 52.43 H new ATOM 0 HA GLU A 40 -23.428 56.334 -24.427 1.00 54.21 H new ATOM 0 HB2 GLU A 40 -24.462 56.515 -21.599 1.00 51.31 H new ATOM 0 HB3 GLU A 40 -23.117 55.449 -21.953 1.00 51.31 H new ATOM 0 HG2 GLU A 40 -23.029 58.314 -22.880 1.00 20.24 H new ATOM 0 HG3 GLU A 40 -22.693 57.935 -21.203 1.00 20.24 H new ATOM 577 N PRO A 41 -23.588 53.772 -24.043 1.00 74.41 N ATOM 578 CA PRO A 41 -23.804 52.331 -24.208 1.00 51.20 C ATOM 579 C PRO A 41 -24.257 51.660 -22.916 1.00 11.14 C ATOM 580 O PRO A 41 -24.344 50.435 -22.839 1.00 61.12 O ATOM 581 CB PRO A 41 -22.427 51.812 -24.626 1.00 24.10 C ATOM 582 CG PRO A 41 -21.464 52.803 -24.069 1.00 25.32 C ATOM 583 CD PRO A 41 -22.163 54.133 -24.118 1.00 70.02 C ATOM 0 HA PRO A 41 -24.593 52.117 -24.930 1.00 51.20 H new ATOM 0 HB2 PRO A 41 -22.243 50.814 -24.228 1.00 24.10 H new ATOM 0 HB3 PRO A 41 -22.342 51.744 -25.711 1.00 24.10 H new ATOM 0 HG2 PRO A 41 -21.187 52.545 -23.047 1.00 25.32 H new ATOM 0 HG3 PRO A 41 -20.544 52.824 -24.653 1.00 25.32 H new ATOM 0 HD2 PRO A 41 -21.866 54.774 -23.287 1.00 70.02 H new ATOM 0 HD3 PRO A 41 -21.933 54.674 -25.036 1.00 70.02 H new ATOM 591 N ASP A 42 -24.546 52.471 -21.904 1.00 72.11 N ATOM 592 CA ASP A 42 -24.993 51.956 -20.614 1.00 43.21 C ATOM 593 C ASP A 42 -26.176 52.761 -20.088 1.00 14.02 C ATOM 594 O ASP A 42 -26.030 53.923 -19.709 1.00 60.42 O ATOM 595 CB ASP A 42 -23.846 51.990 -19.603 1.00 53.45 C ATOM 596 CG ASP A 42 -23.303 50.608 -19.295 1.00 42.20 C ATOM 597 OD1 ASP A 42 -24.101 49.731 -18.907 1.00 35.00 O ATOM 598 OD2 ASP A 42 -22.080 50.405 -19.445 1.00 41.30 O ATOM 0 H ASP A 42 -24.479 53.488 -21.952 1.00 72.11 H new ATOM 0 HA ASP A 42 -25.313 50.924 -20.753 1.00 43.21 H new ATOM 0 HB2 ASP A 42 -23.042 52.615 -19.992 1.00 53.45 H new ATOM 0 HB3 ASP A 42 -24.193 52.455 -18.680 1.00 53.45 H new ATOM 603 N GLN A 43 -27.348 52.134 -20.068 1.00 53.22 N ATOM 604 CA GLN A 43 -28.558 52.795 -19.590 1.00 71.34 C ATOM 605 C GLN A 43 -28.428 53.166 -18.115 1.00 41.41 C ATOM 606 O GLN A 43 -29.285 53.854 -17.562 1.00 1.33 O ATOM 607 CB GLN A 43 -29.774 51.887 -19.794 1.00 10.12 C ATOM 608 CG GLN A 43 -29.652 50.540 -19.100 1.00 13.53 C ATOM 609 CD GLN A 43 -30.153 50.574 -17.669 1.00 40.04 C ATOM 610 OE1 GLN A 43 -30.790 51.539 -17.244 1.00 61.54 O ATOM 611 NE2 GLN A 43 -29.867 49.517 -16.918 1.00 32.33 N ATOM 0 H GLN A 43 -27.486 51.172 -20.376 1.00 53.22 H new ATOM 0 HA GLN A 43 -28.695 53.710 -20.166 1.00 71.34 H new ATOM 0 HB2 GLN A 43 -30.664 52.397 -19.425 1.00 10.12 H new ATOM 0 HB3 GLN A 43 -29.920 51.724 -20.862 1.00 10.12 H new ATOM 0 HG2 GLN A 43 -30.215 49.794 -19.661 1.00 13.53 H new ATOM 0 HG3 GLN A 43 -28.609 50.224 -19.108 1.00 13.53 H new ATOM 0 HE21 GLN A 43 -29.337 48.740 -17.312 1.00 32.33 H new ATOM 0 HE22 GLN A 43 -30.178 49.482 -15.947 1.00 32.33 H new ATOM 620 N ARG A 44 -27.352 52.705 -17.487 1.00 1.14 N ATOM 621 CA ARG A 44 -27.112 52.988 -16.078 1.00 35.20 C ATOM 622 C ARG A 44 -27.564 54.402 -15.722 1.00 74.20 C ATOM 623 O ARG A 44 -28.255 54.612 -14.724 1.00 64.24 O ATOM 624 CB ARG A 44 -25.627 52.818 -15.747 1.00 41.05 C ATOM 625 CG ARG A 44 -25.071 51.458 -16.131 1.00 20.44 C ATOM 626 CD ARG A 44 -23.557 51.413 -15.985 1.00 12.13 C ATOM 627 NE ARG A 44 -22.926 52.644 -16.454 1.00 65.13 N ATOM 628 CZ ARG A 44 -21.735 53.061 -16.043 1.00 0.24 C ATOM 629 NH1 ARG A 44 -21.048 52.351 -15.159 1.00 64.30 N ATOM 630 NH2 ARG A 44 -21.227 54.192 -16.516 1.00 4.21 N ATOM 0 H ARG A 44 -26.633 52.134 -17.932 1.00 1.14 H new ATOM 0 HA ARG A 44 -27.693 52.280 -15.487 1.00 35.20 H new ATOM 0 HB2 ARG A 44 -25.058 53.592 -16.261 1.00 41.05 H new ATOM 0 HB3 ARG A 44 -25.482 52.972 -14.678 1.00 41.05 H new ATOM 0 HG2 ARG A 44 -25.521 50.689 -15.503 1.00 20.44 H new ATOM 0 HG3 ARG A 44 -25.345 51.229 -17.161 1.00 20.44 H new ATOM 0 HD2 ARG A 44 -23.298 51.249 -14.939 1.00 12.13 H new ATOM 0 HD3 ARG A 44 -23.163 50.566 -16.548 1.00 12.13 H new ATOM 0 HE ARG A 44 -23.428 53.214 -17.135 1.00 65.13 H new ATOM 0 HH11 ARG A 44 -21.434 51.481 -14.792 1.00 64.30 H new ATOM 0 HH12 ARG A 44 -20.133 52.675 -14.845 1.00 64.30 H new ATOM 0 HH21 ARG A 44 -21.752 54.742 -17.196 1.00 4.21 H new ATOM 0 HH22 ARG A 44 -20.312 54.512 -16.199 1.00 4.21 H new ATOM 644 N LYS A 45 -27.169 55.368 -16.545 1.00 52.23 N ATOM 645 CA LYS A 45 -27.535 56.762 -16.318 1.00 44.24 C ATOM 646 C LYS A 45 -27.449 57.563 -17.613 1.00 51.14 C ATOM 647 O LYS A 45 -26.359 57.850 -18.107 1.00 54.21 O ATOM 648 CB LYS A 45 -26.621 57.384 -15.260 1.00 15.33 C ATOM 649 CG LYS A 45 -27.292 58.476 -14.444 1.00 44.54 C ATOM 650 CD LYS A 45 -27.558 58.024 -13.020 1.00 35.25 C ATOM 651 CE LYS A 45 -29.003 58.275 -12.615 1.00 10.40 C ATOM 652 NZ LYS A 45 -29.956 57.488 -13.445 1.00 73.21 N ATOM 0 H LYS A 45 -26.596 55.212 -17.374 1.00 52.23 H new ATOM 0 HA LYS A 45 -28.565 56.789 -15.961 1.00 44.24 H new ATOM 0 HB2 LYS A 45 -26.273 56.601 -14.587 1.00 15.33 H new ATOM 0 HB3 LYS A 45 -25.740 57.798 -15.751 1.00 15.33 H new ATOM 0 HG2 LYS A 45 -26.659 59.364 -14.433 1.00 44.54 H new ATOM 0 HG3 LYS A 45 -28.232 58.760 -14.918 1.00 44.54 H new ATOM 0 HD2 LYS A 45 -27.332 56.962 -12.926 1.00 35.25 H new ATOM 0 HD3 LYS A 45 -26.891 58.553 -12.339 1.00 35.25 H new ATOM 0 HE2 LYS A 45 -29.136 58.016 -11.565 1.00 10.40 H new ATOM 0 HE3 LYS A 45 -29.228 59.337 -12.712 1.00 10.40 H new ATOM 0 HZ1 LYS A 45 -30.837 57.338 -12.914 1.00 73.21 H new ATOM 0 HZ2 LYS A 45 -30.164 58.008 -14.322 1.00 73.21 H new ATOM 0 HZ3 LYS A 45 -29.533 56.567 -13.680 1.00 73.21 H new ATOM 666 N VAL A 46 -28.608 57.922 -18.159 1.00 43.11 N ATOM 667 CA VAL A 46 -28.663 58.693 -19.395 1.00 14.50 C ATOM 668 C VAL A 46 -29.527 59.938 -19.228 1.00 42.31 C ATOM 669 O VAL A 46 -30.735 59.846 -19.007 1.00 75.11 O ATOM 670 CB VAL A 46 -29.219 57.849 -20.558 1.00 54.11 C ATOM 671 CG1 VAL A 46 -29.889 58.740 -21.592 1.00 1.23 C ATOM 672 CG2 VAL A 46 -28.112 57.022 -21.192 1.00 63.34 C ATOM 0 H VAL A 46 -29.520 57.691 -17.765 1.00 43.11 H new ATOM 0 HA VAL A 46 -27.641 58.992 -19.628 1.00 14.50 H new ATOM 0 HB VAL A 46 -29.970 57.166 -20.162 1.00 54.11 H new ATOM 0 HG11 VAL A 46 -30.275 58.126 -22.406 1.00 1.23 H new ATOM 0 HG12 VAL A 46 -30.711 59.284 -21.126 1.00 1.23 H new ATOM 0 HG13 VAL A 46 -29.162 59.450 -21.987 1.00 1.23 H new ATOM 0 HG21 VAL A 46 -28.522 56.432 -22.012 1.00 63.34 H new ATOM 0 HG22 VAL A 46 -27.336 57.685 -21.575 1.00 63.34 H new ATOM 0 HG23 VAL A 46 -27.682 56.355 -20.444 1.00 63.34 H new ATOM 682 N THR A 47 -28.899 61.105 -19.335 1.00 71.13 N ATOM 683 CA THR A 47 -29.609 62.371 -19.195 1.00 34.43 C ATOM 684 C THR A 47 -29.908 62.987 -20.555 1.00 45.33 C ATOM 685 O THR A 47 -28.990 63.148 -21.358 1.00 54.13 O ATOM 686 CB THR A 47 -28.802 63.378 -18.353 1.00 44.35 C ATOM 687 OG1 THR A 47 -28.008 62.683 -17.385 1.00 70.24 O ATOM 688 CG2 THR A 47 -29.727 64.358 -17.648 1.00 14.35 C ATOM 0 H THR A 47 -27.900 61.200 -19.518 1.00 71.13 H new ATOM 0 HA THR A 47 -30.547 62.152 -18.685 1.00 34.43 H new ATOM 0 HB THR A 47 -28.149 63.937 -19.023 1.00 44.35 H new ATOM 0 HG1 THR A 47 -27.497 63.330 -16.855 1.00 70.24 H new ATOM 0 HG21 THR A 47 -29.134 65.059 -17.060 1.00 14.35 H new ATOM 0 HG22 THR A 47 -30.308 64.907 -18.389 1.00 14.35 H new ATOM 0 HG23 THR A 47 -30.402 63.812 -16.989 1.00 14.35 H new ATOM 696 N CYS A 48 -31.171 63.316 -20.785 1.00 42.13 N ATOM 697 CA CYS A 48 -31.571 63.912 -22.048 1.00 52.34 C ATOM 698 C CYS A 48 -30.937 65.301 -22.147 1.00 51.23 C ATOM 699 O CYS A 48 -30.973 65.960 -23.186 1.00 33.43 O ATOM 700 CB CYS A 48 -33.095 63.968 -22.189 1.00 3.24 C ATOM 701 SG CYS A 48 -33.629 65.688 -22.519 1.00 63.34 S ATOM 0 H CYS A 48 -31.930 63.181 -20.118 1.00 42.13 H new ATOM 0 HA CYS A 48 -31.217 63.294 -22.873 1.00 52.34 H new ATOM 0 HB2 CYS A 48 -33.418 63.316 -23.001 1.00 3.24 H new ATOM 0 HB3 CYS A 48 -33.567 63.600 -21.278 1.00 3.24 H new ATOM 0 HG CYS A 48 -32.709 66.305 -23.199 1.00 63.34 H new ATOM 706 N GLU A 49 -30.352 65.731 -21.035 1.00 22.33 N ATOM 707 CA GLU A 49 -29.702 67.035 -20.970 1.00 34.53 C ATOM 708 C GLU A 49 -29.052 67.387 -22.304 1.00 33.10 C ATOM 709 O GLU A 49 -29.493 68.299 -23.001 1.00 63.13 O ATOM 710 CB GLU A 49 -28.651 67.051 -19.857 1.00 41.41 C ATOM 711 CG GLU A 49 -28.673 68.318 -19.018 1.00 12.43 C ATOM 712 CD GLU A 49 -28.180 69.533 -19.780 1.00 65.41 C ATOM 713 OE1 GLU A 49 -28.237 69.512 -21.028 1.00 62.42 O ATOM 714 OE2 GLU A 49 -27.735 70.501 -19.132 1.00 24.52 O ATOM 0 H GLU A 49 -30.314 65.197 -20.167 1.00 22.33 H new ATOM 0 HA GLU A 49 -30.465 67.782 -20.750 1.00 34.53 H new ATOM 0 HB2 GLU A 49 -28.810 66.191 -19.206 1.00 41.41 H new ATOM 0 HB3 GLU A 49 -27.662 66.936 -20.301 1.00 41.41 H new ATOM 0 HG2 GLU A 49 -29.690 68.501 -18.670 1.00 12.43 H new ATOM 0 HG3 GLU A 49 -28.054 68.173 -18.133 1.00 12.43 H new ATOM 775 N GLY A 55 -32.730 69.590 -22.275 1.00 31.52 N ATOM 776 CA GLY A 55 -32.573 68.858 -21.030 1.00 1.53 C ATOM 777 C GLY A 55 -33.812 68.924 -20.159 1.00 13.42 C ATOM 778 O GLY A 55 -34.241 70.023 -19.811 1.00 13.43 O ATOM 0 HA2 GLY A 55 -32.343 67.816 -21.251 1.00 1.53 H new ATOM 0 HA3 GLY A 55 -31.723 69.262 -20.479 1.00 1.53 H new ATOM 782 N CYS A 56 -34.361 67.765 -19.826 1.00 13.03 N ATOM 783 CA CYS A 56 -35.551 67.712 -18.997 1.00 32.44 C ATOM 784 C CYS A 56 -35.115 67.689 -17.530 1.00 22.12 C ATOM 785 O CYS A 56 -35.745 68.276 -16.652 1.00 21.40 O ATOM 786 CB CYS A 56 -36.433 66.512 -19.347 1.00 60.44 C ATOM 787 SG CYS A 56 -37.017 66.648 -21.075 1.00 53.14 S ATOM 0 H CYS A 56 -34.003 66.855 -20.116 1.00 13.03 H new ATOM 0 HA CYS A 56 -36.163 68.595 -19.180 1.00 32.44 H new ATOM 0 HB2 CYS A 56 -35.872 65.587 -19.216 1.00 60.44 H new ATOM 0 HB3 CYS A 56 -37.285 66.466 -18.669 1.00 60.44 H new ATOM 0 HG CYS A 56 -36.868 65.504 -21.675 1.00 53.14 H new ATOM 792 N GLY A 57 -34.009 66.993 -17.284 1.00 65.22 N ATOM 793 CA GLY A 57 -33.482 66.889 -15.935 1.00 53.11 C ATOM 794 C GLY A 57 -33.702 65.516 -15.331 1.00 63.40 C ATOM 795 O GLY A 57 -33.230 65.231 -14.230 1.00 51.13 O ATOM 0 H GLY A 57 -33.469 66.499 -17.994 1.00 65.22 H new ATOM 0 HA2 GLY A 57 -32.415 67.111 -15.947 1.00 53.11 H new ATOM 0 HA3 GLY A 57 -33.956 67.640 -15.304 1.00 53.11 H new ATOM 799 N PHE A 58 -34.421 64.662 -16.053 1.00 75.43 N ATOM 800 CA PHE A 58 -34.704 63.312 -15.580 1.00 62.21 C ATOM 801 C PHE A 58 -34.167 62.270 -16.558 1.00 71.01 C ATOM 802 O PHE A 58 -34.638 62.164 -17.690 1.00 30.04 O ATOM 803 CB PHE A 58 -36.210 63.121 -15.391 1.00 71.40 C ATOM 804 CG PHE A 58 -36.580 61.769 -14.852 1.00 63.52 C ATOM 805 CD1 PHE A 58 -36.679 60.674 -15.698 1.00 13.23 C ATOM 806 CD2 PHE A 58 -36.828 61.590 -13.501 1.00 53.41 C ATOM 807 CE1 PHE A 58 -37.018 59.428 -15.205 1.00 54.22 C ATOM 808 CE2 PHE A 58 -37.167 60.346 -13.003 1.00 61.01 C ATOM 809 CZ PHE A 58 -37.264 59.264 -13.856 1.00 4.44 C ATOM 0 H PHE A 58 -34.818 64.881 -16.967 1.00 75.43 H new ATOM 0 HA PHE A 58 -34.204 63.177 -14.621 1.00 62.21 H new ATOM 0 HB2 PHE A 58 -36.583 63.888 -14.713 1.00 71.40 H new ATOM 0 HB3 PHE A 58 -36.710 63.271 -16.348 1.00 71.40 H new ATOM 0 HD1 PHE A 58 -36.489 60.797 -16.754 1.00 13.23 H new ATOM 0 HD2 PHE A 58 -36.756 62.432 -12.829 1.00 53.41 H new ATOM 0 HE1 PHE A 58 -37.090 58.583 -15.874 1.00 54.22 H new ATOM 0 HE2 PHE A 58 -37.356 60.220 -11.947 1.00 61.01 H new ATOM 0 HZ PHE A 58 -37.532 58.292 -13.469 1.00 4.44 H new ATOM 819 N ALA A 59 -33.178 61.504 -16.112 1.00 71.22 N ATOM 820 CA ALA A 59 -32.578 60.469 -16.943 1.00 45.21 C ATOM 821 C ALA A 59 -33.584 59.372 -17.268 1.00 62.14 C ATOM 822 O ALA A 59 -34.540 59.152 -16.524 1.00 2.31 O ATOM 823 CB ALA A 59 -31.355 59.880 -16.255 1.00 2.55 C ATOM 0 H ALA A 59 -32.775 61.581 -15.178 1.00 71.22 H new ATOM 0 HA ALA A 59 -32.267 60.929 -17.881 1.00 45.21 H new ATOM 0 HB1 ALA A 59 -30.918 59.108 -16.888 1.00 2.55 H new ATOM 0 HB2 ALA A 59 -30.621 60.667 -16.082 1.00 2.55 H new ATOM 0 HB3 ALA A 59 -31.650 59.443 -15.301 1.00 2.55 H new ATOM 829 N PHE A 60 -33.366 58.685 -18.384 1.00 43.42 N ATOM 830 CA PHE A 60 -34.256 57.610 -18.809 1.00 42.44 C ATOM 831 C PHE A 60 -33.478 56.317 -19.037 1.00 21.44 C ATOM 832 O PHE A 60 -32.254 56.320 -18.910 1.00 51.33 O ATOM 833 CB PHE A 60 -34.994 58.007 -20.089 1.00 1.21 C ATOM 834 CG PHE A 60 -34.091 58.556 -21.156 1.00 14.33 C ATOM 835 CD1 PHE A 60 -33.471 59.784 -20.992 1.00 25.13 C ATOM 836 CD2 PHE A 60 -33.864 57.845 -22.324 1.00 22.03 C ATOM 837 CE1 PHE A 60 -32.640 60.293 -21.971 1.00 43.54 C ATOM 838 CE2 PHE A 60 -33.035 58.349 -23.306 1.00 43.30 C ATOM 839 CZ PHE A 60 -32.422 59.574 -23.132 1.00 5.44 C ATOM 0 H PHE A 60 -32.580 58.853 -19.012 1.00 43.42 H new ATOM 0 HA PHE A 60 -34.984 57.440 -18.016 1.00 42.44 H new ATOM 0 HB2 PHE A 60 -35.519 57.136 -20.481 1.00 1.21 H new ATOM 0 HB3 PHE A 60 -35.751 58.753 -19.846 1.00 1.21 H new ATOM 0 HD1 PHE A 60 -33.639 60.350 -20.088 1.00 25.13 H new ATOM 0 HD2 PHE A 60 -34.341 56.887 -22.467 1.00 22.03 H new ATOM 0 HE1 PHE A 60 -32.161 61.251 -21.830 1.00 43.54 H new ATOM 0 HE2 PHE A 60 -32.866 57.785 -24.211 1.00 43.30 H new ATOM 0 HZ PHE A 60 -31.774 59.969 -23.900 1.00 5.44 H new ATOM 849 N CYS A 61 -34.197 55.253 -19.362 1.00 22.01 N ATOM 850 CA CYS A 61 -33.564 53.967 -19.602 1.00 53.22 C ATOM 851 C CYS A 61 -33.491 53.743 -21.115 1.00 25.23 C ATOM 852 O CYS A 61 -34.494 53.508 -21.789 1.00 23.21 O ATOM 853 CB CYS A 61 -34.303 52.831 -18.892 1.00 40.31 C ATOM 854 SG CYS A 61 -33.436 51.245 -19.178 1.00 13.44 S ATOM 0 H CYS A 61 -35.212 55.255 -19.465 1.00 22.01 H new ATOM 0 HA CYS A 61 -32.556 53.972 -19.187 1.00 53.22 H new ATOM 0 HB2 CYS A 61 -34.361 53.036 -17.823 1.00 40.31 H new ATOM 0 HB3 CYS A 61 -35.327 52.767 -19.260 1.00 40.31 H new ATOM 0 HG CYS A 61 -33.602 50.468 -18.149 1.00 13.44 H new ATOM 859 N ARG A 62 -32.270 53.821 -21.634 1.00 50.21 N ATOM 860 CA ARG A 62 -32.034 53.632 -23.061 1.00 3.11 C ATOM 861 C ARG A 62 -32.446 52.230 -23.498 1.00 44.03 C ATOM 862 O ARG A 62 -32.796 52.010 -24.658 1.00 71.02 O ATOM 863 CB ARG A 62 -30.559 53.869 -23.391 1.00 53.24 C ATOM 864 CG ARG A 62 -30.139 53.305 -24.739 1.00 62.41 C ATOM 865 CD ARG A 62 -28.646 53.022 -24.784 1.00 33.31 C ATOM 866 NE ARG A 62 -28.226 52.494 -26.079 1.00 73.33 N ATOM 867 CZ ARG A 62 -27.245 51.611 -26.231 1.00 15.15 C ATOM 868 NH1 ARG A 62 -26.585 51.161 -25.172 1.00 73.02 N ATOM 869 NH2 ARG A 62 -26.923 51.177 -27.442 1.00 5.25 N ATOM 0 H ARG A 62 -31.430 54.013 -21.089 1.00 50.21 H new ATOM 0 HA ARG A 62 -32.641 54.356 -23.604 1.00 3.11 H new ATOM 0 HB2 ARG A 62 -30.360 54.941 -23.377 1.00 53.24 H new ATOM 0 HB3 ARG A 62 -29.944 53.420 -22.611 1.00 53.24 H new ATOM 0 HG2 ARG A 62 -30.691 52.386 -24.938 1.00 62.41 H new ATOM 0 HG3 ARG A 62 -30.400 54.011 -25.527 1.00 62.41 H new ATOM 0 HD2 ARG A 62 -28.097 53.939 -24.572 1.00 33.31 H new ATOM 0 HD3 ARG A 62 -28.389 52.308 -24.001 1.00 33.31 H new ATOM 0 HE ARG A 62 -28.713 52.821 -26.913 1.00 73.33 H new ATOM 0 HH11 ARG A 62 -26.830 51.493 -24.239 1.00 73.02 H new ATOM 0 HH12 ARG A 62 -25.832 50.483 -25.290 1.00 73.02 H new ATOM 0 HH21 ARG A 62 -27.429 51.521 -28.258 1.00 5.25 H new ATOM 0 HH22 ARG A 62 -26.170 50.499 -27.557 1.00 5.25 H new ATOM 883 N GLU A 63 -32.401 51.286 -22.564 1.00 31.33 N ATOM 884 CA GLU A 63 -32.768 49.906 -22.855 1.00 41.31 C ATOM 885 C GLU A 63 -34.222 49.813 -23.313 1.00 1.14 C ATOM 886 O GLU A 63 -34.490 49.202 -24.345 1.00 54.02 O ATOM 887 CB GLU A 63 -32.555 49.026 -21.621 1.00 1.21 C ATOM 888 CG GLU A 63 -31.551 47.907 -21.837 1.00 41.42 C ATOM 889 CD GLU A 63 -32.187 46.656 -22.414 1.00 2.33 C ATOM 890 OE1 GLU A 63 -33.070 46.790 -23.287 1.00 64.33 O ATOM 891 OE2 GLU A 63 -31.802 45.546 -21.991 1.00 45.24 O ATOM 0 H GLU A 63 -32.114 51.452 -21.599 1.00 31.33 H new ATOM 0 HA GLU A 63 -32.127 49.551 -23.662 1.00 41.31 H new ATOM 0 HB2 GLU A 63 -32.218 49.651 -20.794 1.00 1.21 H new ATOM 0 HB3 GLU A 63 -33.510 48.593 -21.325 1.00 1.21 H new ATOM 0 HG2 GLU A 63 -30.765 48.253 -22.508 1.00 41.42 H new ATOM 0 HG3 GLU A 63 -31.074 47.663 -20.888 1.00 41.42 H new ATOM 898 N CYS A 64 -35.116 50.417 -22.543 1.00 3.42 N ATOM 899 CA CYS A 64 -36.529 50.395 -22.879 1.00 21.53 C ATOM 900 C CYS A 64 -36.930 51.792 -23.354 1.00 12.31 C ATOM 901 O CYS A 64 -38.104 52.095 -23.579 1.00 40.22 O ATOM 902 CB CYS A 64 -37.383 49.924 -21.701 1.00 75.13 C ATOM 903 SG CYS A 64 -36.876 50.793 -20.173 1.00 31.40 S ATOM 0 H CYS A 64 -34.889 50.924 -21.688 1.00 3.42 H new ATOM 0 HA CYS A 64 -36.705 49.676 -23.679 1.00 21.53 H new ATOM 0 HB2 CYS A 64 -38.436 50.115 -21.905 1.00 75.13 H new ATOM 0 HB3 CYS A 64 -37.274 48.847 -21.570 1.00 75.13 H new ATOM 0 HG CYS A 64 -37.266 50.112 -19.137 1.00 31.40 H new ATOM 908 N LYS A 65 -35.924 52.647 -23.501 1.00 21.22 N ATOM 909 CA LYS A 65 -36.143 54.018 -23.947 1.00 1.22 C ATOM 910 C LYS A 65 -37.337 54.640 -23.231 1.00 53.20 C ATOM 911 O LYS A 65 -38.045 55.474 -23.795 1.00 44.44 O ATOM 912 CB LYS A 65 -36.367 54.054 -25.460 1.00 3.11 C ATOM 913 CG LYS A 65 -37.131 52.853 -25.991 1.00 43.01 C ATOM 914 CD LYS A 65 -37.181 52.851 -27.509 1.00 43.22 C ATOM 915 CE LYS A 65 -38.262 53.784 -28.033 1.00 72.42 C ATOM 916 NZ LYS A 65 -38.792 53.335 -29.351 1.00 24.24 N ATOM 0 H LYS A 65 -34.948 52.415 -23.318 1.00 21.22 H new ATOM 0 HA LYS A 65 -35.253 54.599 -23.703 1.00 1.22 H new ATOM 0 HB2 LYS A 65 -36.911 54.963 -25.717 1.00 3.11 H new ATOM 0 HB3 LYS A 65 -35.400 54.109 -25.961 1.00 3.11 H new ATOM 0 HG2 LYS A 65 -36.658 51.936 -25.640 1.00 43.01 H new ATOM 0 HG3 LYS A 65 -38.146 52.861 -25.593 1.00 43.01 H new ATOM 0 HD2 LYS A 65 -36.213 53.155 -27.906 1.00 43.22 H new ATOM 0 HD3 LYS A 65 -37.368 51.838 -27.866 1.00 43.22 H new ATOM 0 HE2 LYS A 65 -39.078 53.836 -27.312 1.00 72.42 H new ATOM 0 HE3 LYS A 65 -37.857 54.791 -28.129 1.00 72.42 H new ATOM 0 HZ1 LYS A 65 -39.526 53.997 -29.674 1.00 24.24 H new ATOM 0 HZ2 LYS A 65 -38.019 53.310 -30.046 1.00 24.24 H new ATOM 0 HZ3 LYS A 65 -39.202 52.384 -29.255 1.00 24.24 H new ATOM 930 N GLU A 66 -37.554 54.229 -21.986 1.00 71.55 N ATOM 931 CA GLU A 66 -38.665 54.746 -21.194 1.00 5.45 C ATOM 932 C GLU A 66 -38.163 55.353 -19.886 1.00 45.02 C ATOM 933 O GLU A 66 -36.962 55.369 -19.618 1.00 53.20 O ATOM 934 CB GLU A 66 -39.674 53.634 -20.899 1.00 3.11 C ATOM 935 CG GLU A 66 -40.786 53.534 -21.929 1.00 72.12 C ATOM 936 CD GLU A 66 -40.922 52.138 -22.506 1.00 61.43 C ATOM 937 OE1 GLU A 66 -41.036 51.178 -21.717 1.00 54.33 O ATOM 938 OE2 GLU A 66 -40.915 52.007 -23.749 1.00 22.50 O ATOM 0 H GLU A 66 -36.976 53.540 -21.504 1.00 71.55 H new ATOM 0 HA GLU A 66 -39.157 55.527 -21.773 1.00 5.45 H new ATOM 0 HB2 GLU A 66 -39.148 52.681 -20.851 1.00 3.11 H new ATOM 0 HB3 GLU A 66 -40.114 53.805 -19.917 1.00 3.11 H new ATOM 0 HG2 GLU A 66 -41.730 53.827 -21.469 1.00 72.12 H new ATOM 0 HG3 GLU A 66 -40.593 54.240 -22.737 1.00 72.12 H new ATOM 945 N ALA A 67 -39.092 55.851 -19.077 1.00 73.33 N ATOM 946 CA ALA A 67 -38.746 56.456 -17.799 1.00 22.35 C ATOM 947 C ALA A 67 -37.868 55.525 -16.969 1.00 63.32 C ATOM 948 O ALA A 67 -38.200 54.355 -16.771 1.00 4.21 O ATOM 949 CB ALA A 67 -40.007 56.821 -17.027 1.00 61.14 C ATOM 0 H ALA A 67 -40.091 55.847 -19.285 1.00 73.33 H new ATOM 0 HA ALA A 67 -38.179 57.365 -17.999 1.00 22.35 H new ATOM 0 HB1 ALA A 67 -39.732 57.272 -16.074 1.00 61.14 H new ATOM 0 HB2 ALA A 67 -40.597 57.530 -17.608 1.00 61.14 H new ATOM 0 HB3 ALA A 67 -40.596 55.922 -16.846 1.00 61.14 H new ATOM 955 N TYR A 68 -36.747 56.049 -16.487 1.00 11.05 N ATOM 956 CA TYR A 68 -35.819 55.263 -15.682 1.00 54.12 C ATOM 957 C TYR A 68 -36.544 54.582 -14.525 1.00 43.54 C ATOM 958 O TYR A 68 -37.120 55.245 -13.662 1.00 61.23 O ATOM 959 CB TYR A 68 -34.699 56.153 -15.143 1.00 22.01 C ATOM 960 CG TYR A 68 -33.454 55.390 -14.754 1.00 31.55 C ATOM 961 CD1 TYR A 68 -33.415 54.628 -13.592 1.00 73.31 C ATOM 962 CD2 TYR A 68 -32.314 55.429 -15.548 1.00 22.11 C ATOM 963 CE1 TYR A 68 -32.279 53.930 -13.231 1.00 72.15 C ATOM 964 CE2 TYR A 68 -31.174 54.732 -15.197 1.00 0.23 C ATOM 965 CZ TYR A 68 -31.161 53.985 -14.039 1.00 72.30 C ATOM 966 OH TYR A 68 -30.028 53.289 -13.684 1.00 30.22 O ATOM 0 H TYR A 68 -36.458 57.015 -16.640 1.00 11.05 H new ATOM 0 HA TYR A 68 -35.386 54.492 -16.320 1.00 54.12 H new ATOM 0 HB2 TYR A 68 -34.439 56.894 -15.899 1.00 22.01 H new ATOM 0 HB3 TYR A 68 -35.067 56.699 -14.274 1.00 22.01 H new ATOM 0 HD1 TYR A 68 -34.289 54.581 -12.960 1.00 73.31 H new ATOM 0 HD2 TYR A 68 -32.319 56.015 -16.455 1.00 22.11 H new ATOM 0 HE1 TYR A 68 -32.266 53.345 -12.323 1.00 72.15 H new ATOM 0 HE2 TYR A 68 -30.298 54.772 -15.827 1.00 0.23 H new ATOM 0 HH TYR A 68 -29.250 53.883 -13.734 1.00 30.22 H new ATOM 976 N HIS A 69 -36.510 53.253 -14.515 1.00 31.00 N ATOM 977 CA HIS A 69 -37.163 52.480 -13.465 1.00 3.22 C ATOM 978 C HIS A 69 -36.132 51.853 -12.531 1.00 12.14 C ATOM 979 O HIS A 69 -35.038 51.486 -12.957 1.00 64.25 O ATOM 980 CB HIS A 69 -38.042 51.389 -14.076 1.00 42.40 C ATOM 981 CG HIS A 69 -37.441 50.743 -15.287 1.00 12.34 C ATOM 982 ND1 HIS A 69 -36.149 50.582 -15.654 1.00 32.04 N flip ATOM 983 CD2 HIS A 69 -38.197 50.174 -16.290 1.00 70.21 C flip ATOM 984 CE1 HIS A 69 -36.147 49.922 -16.858 1.00 12.00 C flip ATOM 985 NE2 HIS A 69 -37.395 49.687 -17.220 1.00 42.32 N flip ATOM 0 H HIS A 69 -36.037 52.690 -15.222 1.00 31.00 H new ATOM 0 HA HIS A 69 -37.789 53.159 -12.886 1.00 3.22 H new ATOM 0 HB2 HIS A 69 -38.233 50.624 -13.323 1.00 42.40 H new ATOM 0 HB3 HIS A 69 -39.007 51.819 -14.345 1.00 42.40 H new ATOM 0 HD1 HIS A 69 -35.329 50.893 -15.133 1.00 32.04 H new ATOM 0 HD2 HIS A 69 -39.276 50.133 -16.312 1.00 70.21 H new ATOM 0 HE1 HIS A 69 -35.267 49.641 -17.418 1.00 12.00 H new ATOM 993 N GLU A 70 -36.488 51.738 -11.255 1.00 10.30 N ATOM 994 CA GLU A 70 -35.592 51.158 -10.262 1.00 63.14 C ATOM 995 C GLU A 70 -35.652 49.634 -10.299 1.00 33.43 C ATOM 996 O GLU A 70 -35.242 48.962 -9.353 1.00 33.14 O ATOM 997 CB GLU A 70 -35.952 51.661 -8.862 1.00 70.13 C ATOM 998 CG GLU A 70 -35.644 53.133 -8.646 1.00 3.10 C ATOM 999 CD GLU A 70 -36.098 53.631 -7.288 1.00 52.14 C ATOM 1000 OE1 GLU A 70 -35.832 52.939 -6.283 1.00 42.42 O ATOM 1001 OE2 GLU A 70 -36.720 54.713 -7.230 1.00 75.12 O ATOM 0 H GLU A 70 -37.390 52.039 -10.885 1.00 10.30 H new ATOM 0 HA GLU A 70 -34.575 51.470 -10.501 1.00 63.14 H new ATOM 0 HB2 GLU A 70 -37.014 51.491 -8.686 1.00 70.13 H new ATOM 0 HB3 GLU A 70 -35.408 51.073 -8.123 1.00 70.13 H new ATOM 0 HG2 GLU A 70 -34.571 53.294 -8.748 1.00 3.10 H new ATOM 0 HG3 GLU A 70 -36.130 53.720 -9.425 1.00 3.10 H new ATOM 1008 N GLY A 71 -36.169 49.093 -11.398 1.00 15.22 N ATOM 1009 CA GLY A 71 -36.275 47.654 -11.537 1.00 70.23 C ATOM 1010 C GLY A 71 -35.583 47.138 -12.784 1.00 12.13 C ATOM 1011 O GLY A 71 -34.379 47.329 -12.955 1.00 23.21 O ATOM 0 H GLY A 71 -36.516 49.627 -12.195 1.00 15.22 H new ATOM 0 HA2 GLY A 71 -35.841 47.175 -10.660 1.00 70.23 H new ATOM 0 HA3 GLY A 71 -37.327 47.372 -11.566 1.00 70.23 H new ATOM 1015 N GLU A 72 -36.344 46.482 -13.654 1.00 2.14 N ATOM 1016 CA GLU A 72 -35.793 45.937 -14.890 1.00 74.20 C ATOM 1017 C GLU A 72 -36.757 46.146 -16.053 1.00 21.33 C ATOM 1018 O GLU A 72 -37.951 46.335 -15.822 1.00 1.54 O ATOM 1019 CB GLU A 72 -35.491 44.446 -14.725 1.00 35.30 C ATOM 1020 CG GLU A 72 -36.700 43.622 -14.314 1.00 51.24 C ATOM 1021 CD GLU A 72 -36.676 43.240 -12.846 1.00 3.13 C ATOM 1022 OE1 GLU A 72 -35.922 43.877 -12.080 1.00 41.52 O ATOM 1023 OE2 GLU A 72 -37.408 42.302 -12.465 1.00 4.20 O ATOM 0 H GLU A 72 -37.342 46.315 -13.527 1.00 2.14 H new ATOM 0 HA GLU A 72 -34.866 46.466 -15.110 1.00 74.20 H new ATOM 0 HB2 GLU A 72 -35.099 44.057 -15.665 1.00 35.30 H new ATOM 0 HB3 GLU A 72 -34.707 44.323 -13.978 1.00 35.30 H new ATOM 0 HG2 GLU A 72 -37.608 44.187 -14.523 1.00 51.24 H new ATOM 0 HG3 GLU A 72 -36.741 42.717 -14.920 1.00 51.24 H new ATOM 1030 N CYS A 73 -36.224 46.108 -17.266 1.00 54.31 N ATOM 1031 CA CYS A 73 -37.046 46.296 -18.450 1.00 52.20 C ATOM 1032 C CYS A 73 -37.944 45.067 -18.611 1.00 33.30 C ATOM 1033 O CYS A 73 -39.163 45.123 -18.445 1.00 3.04 O ATOM 1034 CB CYS A 73 -36.194 46.547 -19.695 1.00 14.12 C ATOM 1035 SG CYS A 73 -34.835 47.706 -19.301 1.00 11.43 S ATOM 0 H CYS A 73 -35.234 45.950 -17.454 1.00 54.31 H new ATOM 0 HA CYS A 73 -37.666 47.184 -18.329 1.00 52.20 H new ATOM 0 HB2 CYS A 73 -35.785 45.605 -20.062 1.00 14.12 H new ATOM 0 HB3 CYS A 73 -36.813 46.958 -20.493 1.00 14.12 H new ATOM 0 HG CYS A 73 -35.239 48.928 -19.488 1.00 11.43 H new