USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 418 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 31 CYS SG : rot 149:sc=-0.00222 USER MOD Set 1.2: A 34 CYS SG : rot -52:sc= 0.592 USER MOD Set 1.3: A 56 CYS SG : rot 115:sc= -0.0419 USER MOD Set 1.4: A 57 MET CE :methyl 153:sc= -1.91 (180deg=-1.95!) USER MOD Set 1.5: A 67 CYS SG : rot -60:sc= 0.017 USER MOD Single : A 26 SER OG : rot 30:sc= 0.0122 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -2.37 K(o=-2.4,f=-0.79) USER MOD Single : A 59 ASN : amide:sc= 0.138 K(o=0.14,f=-2.2!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0974 USER MOD Single : A 71 GLN : amide:sc= -2.33 K(o=-2.3,f=-3.1!) USER MOD Single : A 73 MET CE :methyl -142:sc= -1.94 (180deg=-4.53!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.01) USER MOD Single : A 79 ASN : amide:sc= 0.0583 K(o=0.058,f=0.91) USER MOD Single : A 86 GLN : amide:sc= -4.79! K(o=-4.8!,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 366 N SER A 26 4.630 -12.432 -0.881 1.00 73.12 N ATOM 367 CA SER A 26 3.440 -11.862 -1.503 1.00 30.51 C ATOM 368 C SER A 26 3.431 -10.342 -1.366 1.00 63.33 C ATOM 369 O SER A 26 3.983 -9.790 -0.414 1.00 64.22 O ATOM 370 CB SER A 26 2.176 -12.449 -0.870 1.00 1.24 C ATOM 371 OG SER A 26 2.057 -13.832 -1.158 1.00 11.42 O ATOM 0 HA SER A 26 3.458 -12.115 -2.563 1.00 30.51 H new ATOM 0 HB2 SER A 26 2.203 -12.300 0.209 1.00 1.24 H new ATOM 0 HB3 SER A 26 1.299 -11.920 -1.243 1.00 1.24 H new ATOM 0 HG SER A 26 2.950 -14.222 -1.263 1.00 11.42 H new ATOM 377 N ALA A 27 2.801 -9.672 -2.326 1.00 2.44 N ATOM 378 CA ALA A 27 2.719 -8.217 -2.312 1.00 51.23 C ATOM 379 C ALA A 27 1.278 -7.747 -2.486 1.00 23.13 C ATOM 380 O ALA A 27 0.404 -8.525 -2.870 1.00 71.42 O ATOM 381 CB ALA A 27 3.603 -7.628 -3.402 1.00 74.33 C ATOM 0 H ALA A 27 2.341 -10.113 -3.122 1.00 2.44 H new ATOM 0 HA ALA A 27 3.074 -7.867 -1.343 1.00 51.23 H new ATOM 0 HB1 ALA A 27 3.532 -6.541 -3.380 1.00 74.33 H new ATOM 0 HB2 ALA A 27 4.637 -7.928 -3.233 1.00 74.33 H new ATOM 0 HB3 ALA A 27 3.274 -7.993 -4.375 1.00 74.33 H new ATOM 387 N TRP A 28 1.038 -6.473 -2.200 1.00 45.45 N ATOM 388 CA TRP A 28 -0.298 -5.901 -2.325 1.00 43.13 C ATOM 389 C TRP A 28 -0.410 -5.048 -3.584 1.00 63.54 C ATOM 390 O TRP A 28 0.469 -4.240 -3.878 1.00 15.32 O ATOM 391 CB TRP A 28 -0.632 -5.058 -1.093 1.00 3.25 C ATOM 392 CG TRP A 28 -1.159 -5.866 0.054 1.00 31.32 C ATOM 393 CD1 TRP A 28 -0.546 -6.081 1.255 1.00 64.30 C ATOM 394 CD2 TRP A 28 -2.407 -6.566 0.107 1.00 43.11 C ATOM 395 NE1 TRP A 28 -1.338 -6.874 2.051 1.00 62.21 N ATOM 396 CE2 TRP A 28 -2.485 -7.184 1.370 1.00 42.01 C ATOM 397 CE3 TRP A 28 -3.466 -6.729 -0.790 1.00 72.30 C ATOM 398 CZ2 TRP A 28 -3.579 -7.953 1.756 1.00 73.04 C ATOM 399 CZ3 TRP A 28 -4.552 -7.493 -0.405 1.00 51.22 C ATOM 400 CH2 TRP A 28 -4.603 -8.096 0.858 1.00 52.11 C ATOM 0 H TRP A 28 1.750 -5.816 -1.880 1.00 45.45 H new ATOM 0 HA TRP A 28 -1.011 -6.722 -2.400 1.00 43.13 H new ATOM 0 HB2 TRP A 28 0.263 -4.526 -0.772 1.00 3.25 H new ATOM 0 HB3 TRP A 28 -1.370 -4.304 -1.367 1.00 3.25 H new ATOM 0 HD1 TRP A 28 0.419 -5.686 1.538 1.00 64.30 H new ATOM 0 HE1 TRP A 28 -1.108 -7.182 2.996 1.00 62.21 H new ATOM 0 HE3 TRP A 28 -3.437 -6.267 -1.766 1.00 72.30 H new ATOM 0 HZ2 TRP A 28 -3.619 -8.420 2.729 1.00 73.04 H new ATOM 0 HZ3 TRP A 28 -5.376 -7.627 -1.090 1.00 51.22 H new ATOM 0 HH2 TRP A 28 -5.467 -8.685 1.129 1.00 52.11 H new ATOM 411 N VAL A 29 -1.498 -5.235 -4.326 1.00 20.52 N ATOM 412 CA VAL A 29 -1.725 -4.482 -5.553 1.00 62.20 C ATOM 413 C VAL A 29 -3.141 -3.918 -5.597 1.00 74.21 C ATOM 414 O VAL A 29 -4.086 -4.550 -5.126 1.00 75.41 O ATOM 415 CB VAL A 29 -1.494 -5.357 -6.800 1.00 33.24 C ATOM 416 CG1 VAL A 29 -2.456 -6.535 -6.811 1.00 53.15 C ATOM 417 CG2 VAL A 29 -1.637 -4.527 -8.066 1.00 73.10 C ATOM 0 H VAL A 29 -2.235 -5.902 -4.098 1.00 20.52 H new ATOM 0 HA VAL A 29 -1.009 -3.660 -5.557 1.00 62.20 H new ATOM 0 HB VAL A 29 -0.478 -5.750 -6.765 1.00 33.24 H new ATOM 0 HG11 VAL A 29 -2.278 -7.142 -7.699 1.00 53.15 H new ATOM 0 HG12 VAL A 29 -2.298 -7.142 -5.919 1.00 53.15 H new ATOM 0 HG13 VAL A 29 -3.482 -6.167 -6.823 1.00 53.15 H new ATOM 0 HG21 VAL A 29 -1.471 -5.161 -8.937 1.00 73.10 H new ATOM 0 HG22 VAL A 29 -2.640 -4.103 -8.112 1.00 73.10 H new ATOM 0 HG23 VAL A 29 -0.903 -3.721 -8.058 1.00 73.10 H new ATOM 427 N ARG A 30 -3.279 -2.726 -6.167 1.00 52.13 N ATOM 428 CA ARG A 30 -4.580 -2.076 -6.273 1.00 12.34 C ATOM 429 C ARG A 30 -5.064 -2.058 -7.720 1.00 2.03 C ATOM 430 O ARG A 30 -4.272 -1.885 -8.648 1.00 33.42 O ATOM 431 CB ARG A 30 -4.506 -0.647 -5.731 1.00 0.41 C ATOM 432 CG ARG A 30 -5.859 0.039 -5.632 1.00 20.33 C ATOM 433 CD ARG A 30 -5.802 1.462 -6.163 1.00 13.30 C ATOM 434 NE ARG A 30 -5.555 1.501 -7.602 1.00 61.12 N ATOM 435 CZ ARG A 30 -5.123 2.580 -8.245 1.00 4.31 C ATOM 436 NH1 ARG A 30 -4.891 3.703 -7.581 1.00 0.14 N ATOM 437 NH2 ARG A 30 -4.921 2.536 -9.555 1.00 52.34 N ATOM 0 H ARG A 30 -2.506 -2.190 -6.563 1.00 52.13 H new ATOM 0 HA ARG A 30 -5.292 -2.647 -5.677 1.00 12.34 H new ATOM 0 HB2 ARG A 30 -4.045 -0.666 -4.744 1.00 0.41 H new ATOM 0 HB3 ARG A 30 -3.855 -0.056 -6.376 1.00 0.41 H new ATOM 0 HG2 ARG A 30 -6.599 -0.531 -6.194 1.00 20.33 H new ATOM 0 HG3 ARG A 30 -6.187 0.050 -4.593 1.00 20.33 H new ATOM 0 HD2 ARG A 30 -6.742 1.969 -5.943 1.00 13.30 H new ATOM 0 HD3 ARG A 30 -5.015 2.011 -5.645 1.00 13.30 H new ATOM 0 HE ARG A 30 -5.724 0.653 -8.143 1.00 61.12 H new ATOM 0 HH11 ARG A 30 -5.044 3.741 -6.573 1.00 0.14 H new ATOM 0 HH12 ARG A 30 -4.559 4.530 -8.078 1.00 0.14 H new ATOM 0 HH21 ARG A 30 -5.097 1.673 -10.070 1.00 52.34 H new ATOM 0 HH22 ARG A 30 -4.589 3.365 -10.048 1.00 52.34 H new ATOM 451 N CYS A 31 -6.366 -2.239 -7.905 1.00 54.41 N ATOM 452 CA CYS A 31 -6.956 -2.245 -9.239 1.00 20.35 C ATOM 453 C CYS A 31 -7.077 -0.825 -9.786 1.00 64.12 C ATOM 454 O CYS A 31 -7.422 0.105 -9.057 1.00 43.15 O ATOM 455 CB CYS A 31 -8.333 -2.911 -9.207 1.00 53.35 C ATOM 456 SG CYS A 31 -9.134 -3.039 -10.838 1.00 63.52 S ATOM 0 H CYS A 31 -7.034 -2.384 -7.148 1.00 54.41 H new ATOM 0 HA CYS A 31 -6.300 -2.814 -9.898 1.00 20.35 H new ATOM 0 HB2 CYS A 31 -8.232 -3.911 -8.784 1.00 53.35 H new ATOM 0 HB3 CYS A 31 -8.983 -2.346 -8.538 1.00 53.35 H new ATOM 0 HG CYS A 31 -9.877 -4.105 -10.874 1.00 63.52 H new ATOM 461 N ASP A 32 -6.792 -0.668 -11.075 1.00 24.14 N ATOM 462 CA ASP A 32 -6.870 0.636 -11.721 1.00 41.51 C ATOM 463 C ASP A 32 -8.197 0.801 -12.453 1.00 54.14 C ATOM 464 O ASP A 32 -8.260 1.423 -13.514 1.00 41.02 O ATOM 465 CB ASP A 32 -5.708 0.814 -12.699 1.00 41.24 C ATOM 466 CG ASP A 32 -5.210 2.246 -12.753 1.00 20.43 C ATOM 467 OD1 ASP A 32 -6.035 3.167 -12.587 1.00 52.44 O ATOM 468 OD2 ASP A 32 -3.994 2.443 -12.960 1.00 71.03 O ATOM 0 H ASP A 32 -6.505 -1.428 -11.692 1.00 24.14 H new ATOM 0 HA ASP A 32 -6.805 1.402 -10.948 1.00 41.51 H new ATOM 0 HB2 ASP A 32 -4.888 0.158 -12.407 1.00 41.24 H new ATOM 0 HB3 ASP A 32 -6.025 0.505 -13.695 1.00 41.24 H new ATOM 473 N ASP A 33 -9.257 0.240 -11.880 1.00 2.53 N ATOM 474 CA ASP A 33 -10.584 0.325 -12.478 1.00 51.04 C ATOM 475 C ASP A 33 -11.655 0.481 -11.404 1.00 71.31 C ATOM 476 O ASP A 33 -12.586 1.274 -11.550 1.00 64.23 O ATOM 477 CB ASP A 33 -10.868 -0.919 -13.322 1.00 23.23 C ATOM 478 CG ASP A 33 -12.197 -0.838 -14.045 1.00 44.03 C ATOM 479 OD1 ASP A 33 -12.871 0.207 -13.931 1.00 1.30 O ATOM 480 OD2 ASP A 33 -12.563 -1.819 -14.726 1.00 53.11 O ATOM 0 H ASP A 33 -9.223 -0.278 -11.002 1.00 2.53 H new ATOM 0 HA ASP A 33 -10.609 1.204 -13.122 1.00 51.04 H new ATOM 0 HB2 ASP A 33 -10.069 -1.050 -14.051 1.00 23.23 H new ATOM 0 HB3 ASP A 33 -10.860 -1.800 -12.680 1.00 23.23 H new ATOM 485 N CYS A 34 -11.518 -0.282 -10.323 1.00 40.32 N ATOM 486 CA CYS A 34 -12.473 -0.230 -9.224 1.00 75.13 C ATOM 487 C CYS A 34 -11.794 0.217 -7.933 1.00 61.44 C ATOM 488 O CYS A 34 -12.459 0.523 -6.943 1.00 34.12 O ATOM 489 CB CYS A 34 -13.126 -1.600 -9.023 1.00 52.32 C ATOM 490 SG CYS A 34 -11.962 -2.912 -8.534 1.00 42.10 S ATOM 0 H CYS A 34 -10.754 -0.944 -10.186 1.00 40.32 H new ATOM 0 HA CYS A 34 -13.243 0.498 -9.479 1.00 75.13 H new ATOM 0 HB2 CYS A 34 -13.901 -1.513 -8.261 1.00 52.32 H new ATOM 0 HB3 CYS A 34 -13.621 -1.894 -9.949 1.00 52.32 H new ATOM 0 HG CYS A 34 -10.965 -2.940 -9.368 1.00 42.10 H new ATOM 495 N PHE A 35 -10.466 0.251 -7.951 1.00 4.21 N ATOM 496 CA PHE A 35 -9.695 0.659 -6.782 1.00 74.42 C ATOM 497 C PHE A 35 -9.939 -0.289 -5.612 1.00 73.24 C ATOM 498 O PHE A 35 -10.610 0.064 -4.641 1.00 63.54 O ATOM 499 CB PHE A 35 -10.060 2.089 -6.379 1.00 43.52 C ATOM 500 CG PHE A 35 -9.956 3.075 -7.507 1.00 44.41 C ATOM 501 CD1 PHE A 35 -8.719 3.536 -7.930 1.00 20.32 C ATOM 502 CD2 PHE A 35 -11.093 3.541 -8.146 1.00 15.22 C ATOM 503 CE1 PHE A 35 -8.619 4.444 -8.968 1.00 64.54 C ATOM 504 CE2 PHE A 35 -11.000 4.448 -9.185 1.00 24.51 C ATOM 505 CZ PHE A 35 -9.761 4.900 -9.595 1.00 73.34 C ATOM 0 H PHE A 35 -9.901 0.001 -8.762 1.00 4.21 H new ATOM 0 HA PHE A 35 -8.637 0.621 -7.043 1.00 74.42 H new ATOM 0 HB2 PHE A 35 -11.078 2.100 -5.991 1.00 43.52 H new ATOM 0 HB3 PHE A 35 -9.406 2.407 -5.567 1.00 43.52 H new ATOM 0 HD1 PHE A 35 -7.823 3.182 -7.443 1.00 20.32 H new ATOM 0 HD2 PHE A 35 -12.064 3.191 -7.829 1.00 15.22 H new ATOM 0 HE1 PHE A 35 -7.649 4.796 -9.288 1.00 64.54 H new ATOM 0 HE2 PHE A 35 -11.895 4.803 -9.675 1.00 24.51 H new ATOM 0 HZ PHE A 35 -9.686 5.610 -10.406 1.00 73.34 H new ATOM 515 N LYS A 36 -9.391 -1.495 -5.711 1.00 40.20 N ATOM 516 CA LYS A 36 -9.547 -2.496 -4.662 1.00 41.41 C ATOM 517 C LYS A 36 -8.230 -3.220 -4.401 1.00 30.21 C ATOM 518 O LYS A 36 -7.484 -3.527 -5.331 1.00 15.04 O ATOM 519 CB LYS A 36 -10.629 -3.506 -5.050 1.00 21.12 C ATOM 520 CG LYS A 36 -11.542 -3.890 -3.899 1.00 61.42 C ATOM 521 CD LYS A 36 -12.623 -2.847 -3.673 1.00 22.14 C ATOM 522 CE LYS A 36 -13.572 -3.260 -2.559 1.00 75.44 C ATOM 523 NZ LYS A 36 -14.957 -2.766 -2.799 1.00 14.03 N ATOM 0 H LYS A 36 -8.834 -1.803 -6.508 1.00 40.20 H new ATOM 0 HA LYS A 36 -9.847 -1.985 -3.747 1.00 41.41 H new ATOM 0 HB2 LYS A 36 -11.231 -3.089 -5.857 1.00 21.12 H new ATOM 0 HB3 LYS A 36 -10.152 -4.405 -5.440 1.00 21.12 H new ATOM 0 HG2 LYS A 36 -12.004 -4.855 -4.106 1.00 61.42 H new ATOM 0 HG3 LYS A 36 -10.953 -4.008 -2.990 1.00 61.42 H new ATOM 0 HD2 LYS A 36 -12.162 -1.891 -3.424 1.00 22.14 H new ATOM 0 HD3 LYS A 36 -13.185 -2.699 -4.595 1.00 22.14 H new ATOM 0 HE2 LYS A 36 -13.583 -4.347 -2.476 1.00 75.44 H new ATOM 0 HE3 LYS A 36 -13.207 -2.871 -1.608 1.00 75.44 H new ATOM 0 HZ1 LYS A 36 -15.574 -3.068 -2.018 1.00 14.03 H new ATOM 0 HZ2 LYS A 36 -14.951 -1.727 -2.853 1.00 14.03 H new ATOM 0 HZ3 LYS A 36 -15.315 -3.157 -3.694 1.00 14.03 H new ATOM 537 N TRP A 37 -7.952 -3.490 -3.130 1.00 44.14 N ATOM 538 CA TRP A 37 -6.725 -4.180 -2.748 1.00 1.23 C ATOM 539 C TRP A 37 -6.781 -5.652 -3.143 1.00 73.24 C ATOM 540 O TRP A 37 -7.833 -6.286 -3.062 1.00 33.54 O ATOM 541 CB TRP A 37 -6.492 -4.053 -1.242 1.00 33.55 C ATOM 542 CG TRP A 37 -5.675 -2.854 -0.865 1.00 60.22 C ATOM 543 CD1 TRP A 37 -5.985 -1.913 0.075 1.00 71.04 C ATOM 544 CD2 TRP A 37 -4.415 -2.467 -1.423 1.00 54.01 C ATOM 545 NE1 TRP A 37 -4.994 -0.964 0.135 1.00 4.33 N ATOM 546 CE2 TRP A 37 -4.018 -1.282 -0.773 1.00 52.53 C ATOM 547 CE3 TRP A 37 -3.582 -3.007 -2.406 1.00 64.04 C ATOM 548 CZ2 TRP A 37 -2.826 -0.629 -1.078 1.00 65.51 C ATOM 549 CZ3 TRP A 37 -2.399 -2.359 -2.708 1.00 75.10 C ATOM 550 CH2 TRP A 37 -2.030 -1.181 -2.044 1.00 41.40 C ATOM 0 H TRP A 37 -8.558 -3.242 -2.348 1.00 44.14 H new ATOM 0 HA TRP A 37 -5.896 -3.712 -3.278 1.00 1.23 H new ATOM 0 HB2 TRP A 37 -7.456 -4.000 -0.736 1.00 33.55 H new ATOM 0 HB3 TRP A 37 -5.992 -4.952 -0.882 1.00 33.55 H new ATOM 0 HD1 TRP A 37 -6.878 -1.915 0.682 1.00 71.04 H new ATOM 0 HE1 TRP A 37 -4.986 -0.154 0.755 1.00 4.33 H new ATOM 0 HE3 TRP A 37 -3.858 -3.915 -2.921 1.00 64.04 H new ATOM 0 HZ2 TRP A 37 -2.540 0.280 -0.570 1.00 65.51 H new ATOM 0 HZ3 TRP A 37 -1.749 -2.767 -3.468 1.00 75.10 H new ATOM 0 HH2 TRP A 37 -1.098 -0.699 -2.300 1.00 41.40 H new ATOM 561 N ARG A 38 -5.644 -6.189 -3.572 1.00 60.13 N ATOM 562 CA ARG A 38 -5.565 -7.586 -3.981 1.00 75.03 C ATOM 563 C ARG A 38 -4.198 -8.176 -3.644 1.00 51.31 C ATOM 564 O ARG A 38 -3.165 -7.630 -4.031 1.00 10.03 O ATOM 565 CB ARG A 38 -5.833 -7.716 -5.481 1.00 44.24 C ATOM 566 CG ARG A 38 -6.802 -8.833 -5.832 1.00 71.15 C ATOM 567 CD ARG A 38 -8.236 -8.327 -5.895 1.00 32.35 C ATOM 568 NE ARG A 38 -9.181 -9.396 -6.202 1.00 64.43 N ATOM 569 CZ ARG A 38 -10.497 -9.271 -6.081 1.00 51.04 C ATOM 570 NH1 ARG A 38 -11.023 -8.129 -5.661 1.00 0.35 N ATOM 571 NH2 ARG A 38 -11.293 -10.291 -6.380 1.00 52.22 N ATOM 0 H ARG A 38 -4.764 -5.678 -3.645 1.00 60.13 H new ATOM 0 HA ARG A 38 -6.326 -8.142 -3.433 1.00 75.03 H new ATOM 0 HB2 ARG A 38 -6.230 -6.772 -5.854 1.00 44.24 H new ATOM 0 HB3 ARG A 38 -4.889 -7.890 -5.996 1.00 44.24 H new ATOM 0 HG2 ARG A 38 -6.526 -9.267 -6.793 1.00 71.15 H new ATOM 0 HG3 ARG A 38 -6.728 -9.628 -5.090 1.00 71.15 H new ATOM 0 HD2 ARG A 38 -8.502 -7.871 -4.941 1.00 32.35 H new ATOM 0 HD3 ARG A 38 -8.312 -7.547 -6.653 1.00 32.35 H new ATOM 0 HE ARG A 38 -8.810 -10.289 -6.528 1.00 64.43 H new ATOM 0 HH11 ARG A 38 -10.416 -7.343 -5.430 1.00 0.35 H new ATOM 0 HH12 ARG A 38 -12.035 -8.037 -5.569 1.00 0.35 H new ATOM 0 HH21 ARG A 38 -10.893 -11.172 -6.703 1.00 52.22 H new ATOM 0 HH22 ARG A 38 -12.304 -10.193 -6.286 1.00 52.22 H new ATOM 585 N ARG A 39 -4.202 -9.291 -2.922 1.00 10.03 N ATOM 586 CA ARG A 39 -2.963 -9.952 -2.531 1.00 73.15 C ATOM 587 C ARG A 39 -2.477 -10.888 -3.634 1.00 24.53 C ATOM 588 O ARG A 39 -3.177 -11.825 -4.019 1.00 3.50 O ATOM 589 CB ARG A 39 -3.166 -10.737 -1.233 1.00 44.55 C ATOM 590 CG ARG A 39 -1.896 -10.897 -0.414 1.00 41.32 C ATOM 591 CD ARG A 39 -1.825 -12.267 0.242 1.00 52.04 C ATOM 592 NE ARG A 39 -0.833 -12.310 1.313 1.00 43.32 N ATOM 593 CZ ARG A 39 -0.304 -13.436 1.780 1.00 54.00 C ATOM 594 NH1 ARG A 39 -0.672 -14.605 1.274 1.00 51.42 N ATOM 595 NH2 ARG A 39 0.594 -13.394 2.756 1.00 31.23 N ATOM 0 H ARG A 39 -5.049 -9.756 -2.596 1.00 10.03 H new ATOM 0 HA ARG A 39 -2.206 -9.185 -2.368 1.00 73.15 H new ATOM 0 HB2 ARG A 39 -3.918 -10.232 -0.627 1.00 44.55 H new ATOM 0 HB3 ARG A 39 -3.560 -11.724 -1.473 1.00 44.55 H new ATOM 0 HG2 ARG A 39 -1.027 -10.755 -1.057 1.00 41.32 H new ATOM 0 HG3 ARG A 39 -1.856 -10.123 0.352 1.00 41.32 H new ATOM 0 HD2 ARG A 39 -2.804 -12.528 0.644 1.00 52.04 H new ATOM 0 HD3 ARG A 39 -1.579 -13.017 -0.510 1.00 52.04 H new ATOM 0 HE ARG A 39 -0.530 -11.428 1.725 1.00 43.32 H new ATOM 0 HH11 ARG A 39 -1.363 -14.642 0.524 1.00 51.42 H new ATOM 0 HH12 ARG A 39 -0.264 -15.468 1.634 1.00 51.42 H new ATOM 0 HH21 ARG A 39 0.879 -12.497 3.149 1.00 31.23 H new ATOM 0 HH22 ARG A 39 0.999 -14.259 3.114 1.00 31.23 H new ATOM 609 N ILE A 40 -1.274 -10.628 -4.136 1.00 34.32 N ATOM 610 CA ILE A 40 -0.694 -11.447 -5.192 1.00 44.32 C ATOM 611 C ILE A 40 0.689 -11.955 -4.799 1.00 71.31 C ATOM 612 O ILE A 40 1.399 -11.341 -4.002 1.00 62.32 O ATOM 613 CB ILE A 40 -0.584 -10.665 -6.515 1.00 2.14 C ATOM 614 CG1 ILE A 40 0.554 -9.645 -6.436 1.00 24.24 C ATOM 615 CG2 ILE A 40 -1.901 -9.972 -6.832 1.00 44.22 C ATOM 616 CD1 ILE A 40 0.657 -8.758 -7.656 1.00 14.22 C ATOM 0 H ILE A 40 -0.683 -9.856 -3.828 1.00 34.32 H new ATOM 0 HA ILE A 40 -1.363 -12.296 -5.335 1.00 44.32 H new ATOM 0 HB ILE A 40 -0.363 -11.368 -7.318 1.00 2.14 H new ATOM 0 HG12 ILE A 40 0.411 -9.021 -5.554 1.00 24.24 H new ATOM 0 HG13 ILE A 40 1.497 -10.175 -6.302 1.00 24.24 H new ATOM 0 HG21 ILE A 40 -1.807 -9.424 -7.769 1.00 44.22 H new ATOM 0 HG22 ILE A 40 -2.691 -10.717 -6.925 1.00 44.22 H new ATOM 0 HG23 ILE A 40 -2.149 -9.278 -6.029 1.00 44.22 H new ATOM 0 HD11 ILE A 40 1.485 -8.060 -7.530 1.00 14.22 H new ATOM 0 HD12 ILE A 40 0.832 -9.373 -8.539 1.00 14.22 H new ATOM 0 HD13 ILE A 40 -0.271 -8.201 -7.780 1.00 14.22 H new ATOM 628 N PRO A 41 1.082 -13.103 -5.369 1.00 42.24 N ATOM 629 CA PRO A 41 2.383 -13.719 -5.095 1.00 31.23 C ATOM 630 C PRO A 41 3.539 -12.917 -5.682 1.00 0.34 C ATOM 631 O PRO A 41 3.361 -12.157 -6.634 1.00 75.10 O ATOM 632 CB PRO A 41 2.281 -15.086 -5.777 1.00 31.11 C ATOM 633 CG PRO A 41 1.271 -14.896 -6.855 1.00 74.32 C ATOM 634 CD PRO A 41 0.286 -13.889 -6.328 1.00 0.13 C ATOM 0 HA PRO A 41 2.589 -13.775 -4.026 1.00 31.23 H new ATOM 0 HB2 PRO A 41 3.242 -15.398 -6.185 1.00 31.11 H new ATOM 0 HB3 PRO A 41 1.969 -15.857 -5.073 1.00 31.11 H new ATOM 0 HG2 PRO A 41 1.741 -14.539 -7.771 1.00 74.32 H new ATOM 0 HG3 PRO A 41 0.776 -15.837 -7.096 1.00 74.32 H new ATOM 0 HD2 PRO A 41 -0.115 -13.263 -7.126 1.00 0.13 H new ATOM 0 HD3 PRO A 41 -0.563 -14.372 -5.845 1.00 0.13 H new ATOM 642 N ALA A 42 4.726 -13.091 -5.109 1.00 14.24 N ATOM 643 CA ALA A 42 5.912 -12.385 -5.578 1.00 13.22 C ATOM 644 C ALA A 42 6.315 -12.854 -6.971 1.00 42.43 C ATOM 645 O ALA A 42 7.144 -12.227 -7.632 1.00 22.22 O ATOM 646 CB ALA A 42 7.062 -12.577 -4.600 1.00 20.43 C ATOM 0 H ALA A 42 4.891 -13.715 -4.319 1.00 14.24 H new ATOM 0 HA ALA A 42 5.673 -11.323 -5.636 1.00 13.22 H new ATOM 0 HB1 ALA A 42 7.941 -12.044 -4.963 1.00 20.43 H new ATOM 0 HB2 ALA A 42 6.778 -12.185 -3.623 1.00 20.43 H new ATOM 0 HB3 ALA A 42 7.292 -13.639 -4.512 1.00 20.43 H new ATOM 652 N SER A 43 5.725 -13.959 -7.413 1.00 74.21 N ATOM 653 CA SER A 43 6.025 -14.515 -8.726 1.00 3.52 C ATOM 654 C SER A 43 5.339 -13.711 -9.826 1.00 50.25 C ATOM 655 O SER A 43 5.899 -13.507 -10.904 1.00 71.14 O ATOM 656 CB SER A 43 5.586 -15.978 -8.798 1.00 31.10 C ATOM 657 OG SER A 43 6.705 -16.843 -8.884 1.00 63.35 O ATOM 0 H SER A 43 5.035 -14.488 -6.880 1.00 74.21 H new ATOM 0 HA SER A 43 7.103 -14.460 -8.878 1.00 3.52 H new ATOM 0 HB2 SER A 43 4.996 -16.228 -7.916 1.00 31.10 H new ATOM 0 HB3 SER A 43 4.941 -16.125 -9.664 1.00 31.10 H new ATOM 0 HG SER A 43 6.397 -17.772 -8.927 1.00 63.35 H new ATOM 663 N VAL A 44 4.121 -13.257 -9.547 1.00 30.22 N ATOM 664 CA VAL A 44 3.358 -12.475 -10.511 1.00 75.14 C ATOM 665 C VAL A 44 3.588 -10.981 -10.314 1.00 21.15 C ATOM 666 O VAL A 44 3.527 -10.201 -11.264 1.00 11.00 O ATOM 667 CB VAL A 44 1.849 -12.768 -10.403 1.00 43.31 C ATOM 668 CG1 VAL A 44 1.285 -12.197 -9.111 1.00 13.43 C ATOM 669 CG2 VAL A 44 1.110 -12.210 -11.610 1.00 60.40 C ATOM 0 H VAL A 44 3.642 -13.418 -8.661 1.00 30.22 H new ATOM 0 HA VAL A 44 3.708 -12.766 -11.501 1.00 75.14 H new ATOM 0 HB VAL A 44 1.707 -13.849 -10.387 1.00 43.31 H new ATOM 0 HG11 VAL A 44 0.218 -12.414 -9.052 1.00 13.43 H new ATOM 0 HG12 VAL A 44 1.794 -12.650 -8.260 1.00 13.43 H new ATOM 0 HG13 VAL A 44 1.437 -11.118 -9.093 1.00 13.43 H new ATOM 0 HG21 VAL A 44 0.046 -12.426 -11.517 1.00 60.40 H new ATOM 0 HG22 VAL A 44 1.258 -11.131 -11.661 1.00 60.40 H new ATOM 0 HG23 VAL A 44 1.496 -12.672 -12.519 1.00 60.40 H new ATOM 679 N VAL A 45 3.855 -10.589 -9.072 1.00 12.21 N ATOM 680 CA VAL A 45 4.098 -9.188 -8.748 1.00 1.50 C ATOM 681 C VAL A 45 5.222 -8.613 -9.603 1.00 40.45 C ATOM 682 O VAL A 45 5.285 -7.406 -9.835 1.00 40.20 O ATOM 683 CB VAL A 45 4.456 -9.009 -7.261 1.00 13.01 C ATOM 684 CG1 VAL A 45 5.946 -9.222 -7.041 1.00 23.23 C ATOM 685 CG2 VAL A 45 4.028 -7.633 -6.772 1.00 1.12 C ATOM 0 H VAL A 45 3.908 -11.222 -8.274 1.00 12.21 H new ATOM 0 HA VAL A 45 3.174 -8.650 -8.958 1.00 1.50 H new ATOM 0 HB VAL A 45 3.917 -9.759 -6.683 1.00 13.01 H new ATOM 0 HG11 VAL A 45 6.180 -9.091 -5.984 1.00 23.23 H new ATOM 0 HG12 VAL A 45 6.219 -10.231 -7.351 1.00 23.23 H new ATOM 0 HG13 VAL A 45 6.508 -8.497 -7.629 1.00 23.23 H new ATOM 0 HG21 VAL A 45 4.289 -7.524 -5.719 1.00 1.12 H new ATOM 0 HG22 VAL A 45 4.538 -6.865 -7.354 1.00 1.12 H new ATOM 0 HG23 VAL A 45 2.950 -7.523 -6.892 1.00 1.12 H new ATOM 695 N GLY A 46 6.106 -9.487 -10.070 1.00 50.03 N ATOM 696 CA GLY A 46 7.219 -9.047 -10.895 1.00 61.22 C ATOM 697 C GLY A 46 6.959 -9.251 -12.375 1.00 23.31 C ATOM 698 O GLY A 46 7.893 -9.317 -13.173 1.00 44.24 O ATOM 0 H GLY A 46 6.073 -10.491 -9.893 1.00 50.03 H new ATOM 0 HA2 GLY A 46 7.413 -7.991 -10.705 1.00 61.22 H new ATOM 0 HA3 GLY A 46 8.118 -9.593 -10.608 1.00 61.22 H new ATOM 702 N SER A 47 5.686 -9.354 -12.741 1.00 74.53 N ATOM 703 CA SER A 47 5.305 -9.558 -14.134 1.00 45.03 C ATOM 704 C SER A 47 4.137 -8.653 -14.516 1.00 45.22 C ATOM 705 O SER A 47 4.111 -8.084 -15.608 1.00 4.43 O ATOM 706 CB SER A 47 4.930 -11.022 -14.373 1.00 51.14 C ATOM 707 OG SER A 47 6.063 -11.865 -14.254 1.00 13.32 O ATOM 0 H SER A 47 4.901 -9.300 -12.093 1.00 74.53 H new ATOM 0 HA SER A 47 6.160 -9.302 -14.760 1.00 45.03 H new ATOM 0 HB2 SER A 47 4.169 -11.327 -13.655 1.00 51.14 H new ATOM 0 HB3 SER A 47 4.494 -11.132 -15.366 1.00 51.14 H new ATOM 0 HG SER A 47 5.796 -12.795 -14.410 1.00 13.32 H new ATOM 713 N ILE A 48 3.174 -8.526 -13.610 1.00 23.51 N ATOM 714 CA ILE A 48 2.005 -7.691 -13.851 1.00 55.21 C ATOM 715 C ILE A 48 2.356 -6.210 -13.743 1.00 51.03 C ATOM 716 O ILE A 48 1.587 -5.347 -14.167 1.00 73.31 O ATOM 717 CB ILE A 48 0.869 -8.011 -12.862 1.00 3.34 C ATOM 718 CG1 ILE A 48 1.336 -7.777 -11.423 1.00 62.53 C ATOM 719 CG2 ILE A 48 0.398 -9.446 -13.044 1.00 61.20 C ATOM 720 CD1 ILE A 48 1.086 -6.370 -10.929 1.00 75.40 C ATOM 0 H ILE A 48 3.181 -8.991 -12.702 1.00 23.51 H new ATOM 0 HA ILE A 48 1.665 -7.909 -14.863 1.00 55.21 H new ATOM 0 HB ILE A 48 0.031 -7.345 -13.066 1.00 3.34 H new ATOM 0 HG12 ILE A 48 0.826 -8.481 -10.765 1.00 62.53 H new ATOM 0 HG13 ILE A 48 2.402 -7.993 -11.356 1.00 62.53 H new ATOM 0 HG21 ILE A 48 -0.405 -9.658 -12.338 1.00 61.20 H new ATOM 0 HG22 ILE A 48 0.032 -9.583 -14.062 1.00 61.20 H new ATOM 0 HG23 ILE A 48 1.229 -10.127 -12.863 1.00 61.20 H new ATOM 0 HD11 ILE A 48 1.442 -6.276 -9.903 1.00 75.40 H new ATOM 0 HD12 ILE A 48 1.618 -5.662 -11.564 1.00 75.40 H new ATOM 0 HD13 ILE A 48 0.018 -6.157 -10.964 1.00 75.40 H new ATOM 805 N TRP A 54 -2.319 -2.660 -12.876 1.00 12.45 N ATOM 806 CA TRP A 54 -2.854 -3.971 -12.525 1.00 55.43 C ATOM 807 C TRP A 54 -4.359 -3.898 -12.289 1.00 74.20 C ATOM 808 O TRP A 54 -4.871 -2.895 -11.792 1.00 33.14 O ATOM 809 CB TRP A 54 -2.155 -4.513 -11.277 1.00 42.41 C ATOM 810 CG TRP A 54 -2.706 -5.827 -10.812 1.00 2.42 C ATOM 811 CD1 TRP A 54 -2.171 -7.064 -11.034 1.00 4.21 C ATOM 812 CD2 TRP A 54 -3.898 -6.034 -10.048 1.00 15.14 C ATOM 813 NE1 TRP A 54 -2.959 -8.027 -10.453 1.00 61.14 N ATOM 814 CE2 TRP A 54 -4.024 -7.421 -9.842 1.00 32.44 C ATOM 815 CE3 TRP A 54 -4.869 -5.183 -9.515 1.00 53.34 C ATOM 816 CZ2 TRP A 54 -5.084 -7.973 -9.127 1.00 64.41 C ATOM 817 CZ3 TRP A 54 -5.921 -5.733 -8.807 1.00 0.52 C ATOM 818 CH2 TRP A 54 -6.022 -7.117 -8.617 1.00 23.31 C ATOM 0 HA TRP A 54 -2.668 -4.648 -13.359 1.00 55.43 H new ATOM 0 HB2 TRP A 54 -1.091 -4.626 -11.485 1.00 42.41 H new ATOM 0 HB3 TRP A 54 -2.246 -3.783 -10.472 1.00 42.41 H new ATOM 0 HD1 TRP A 54 -1.262 -7.256 -11.585 1.00 4.21 H new ATOM 0 HE1 TRP A 54 -2.780 -9.031 -10.473 1.00 61.14 H new ATOM 0 HE3 TRP A 54 -4.799 -4.114 -9.654 1.00 53.34 H new ATOM 0 HZ2 TRP A 54 -5.163 -9.040 -8.980 1.00 64.41 H new ATOM 0 HZ3 TRP A 54 -6.679 -5.084 -8.393 1.00 0.52 H new ATOM 0 HH2 TRP A 54 -6.855 -7.516 -8.058 1.00 23.31 H new ATOM 829 N ILE A 55 -5.062 -4.967 -12.648 1.00 22.11 N ATOM 830 CA ILE A 55 -6.508 -5.024 -12.474 1.00 22.43 C ATOM 831 C ILE A 55 -6.943 -6.384 -11.939 1.00 14.12 C ATOM 832 O ILE A 55 -6.165 -7.338 -11.926 1.00 43.54 O ATOM 833 CB ILE A 55 -7.246 -4.745 -13.796 1.00 11.11 C ATOM 834 CG1 ILE A 55 -6.574 -5.493 -14.949 1.00 32.34 C ATOM 835 CG2 ILE A 55 -7.281 -3.250 -14.076 1.00 43.50 C ATOM 836 CD1 ILE A 55 -7.184 -5.194 -16.300 1.00 1.54 C ATOM 0 H ILE A 55 -4.653 -5.805 -13.061 1.00 22.11 H new ATOM 0 HA ILE A 55 -6.770 -4.251 -11.752 1.00 22.43 H new ATOM 0 HB ILE A 55 -8.272 -5.103 -13.706 1.00 11.11 H new ATOM 0 HG12 ILE A 55 -5.516 -5.234 -14.972 1.00 32.34 H new ATOM 0 HG13 ILE A 55 -6.635 -6.565 -14.761 1.00 32.34 H new ATOM 0 HG21 ILE A 55 -7.806 -3.068 -15.014 1.00 43.50 H new ATOM 0 HG22 ILE A 55 -7.800 -2.740 -13.265 1.00 43.50 H new ATOM 0 HG23 ILE A 55 -6.262 -2.870 -14.151 1.00 43.50 H new ATOM 0 HD11 ILE A 55 -6.658 -5.759 -17.070 1.00 1.54 H new ATOM 0 HD12 ILE A 55 -8.236 -5.480 -16.296 1.00 1.54 H new ATOM 0 HD13 ILE A 55 -7.099 -4.128 -16.510 1.00 1.54 H new ATOM 848 N CYS A 56 -8.194 -6.467 -11.497 1.00 64.03 N ATOM 849 CA CYS A 56 -8.736 -7.710 -10.963 1.00 21.23 C ATOM 850 C CYS A 56 -8.648 -8.831 -11.994 1.00 44.22 C ATOM 851 O CYS A 56 -8.143 -9.915 -11.706 1.00 25.43 O ATOM 852 CB CYS A 56 -10.190 -7.513 -10.530 1.00 41.05 C ATOM 853 SG CYS A 56 -10.443 -6.121 -9.382 1.00 21.20 S ATOM 0 H CYS A 56 -8.851 -5.687 -11.498 1.00 64.03 H new ATOM 0 HA CYS A 56 -8.140 -7.992 -10.095 1.00 21.23 H new ATOM 0 HB2 CYS A 56 -10.804 -7.354 -11.417 1.00 41.05 H new ATOM 0 HB3 CYS A 56 -10.544 -8.429 -10.057 1.00 41.05 H new ATOM 0 HG CYS A 56 -11.181 -5.216 -9.953 1.00 21.20 H new ATOM 858 N MET A 57 -9.143 -8.560 -13.197 1.00 51.35 N ATOM 859 CA MET A 57 -9.119 -9.545 -14.272 1.00 42.34 C ATOM 860 C MET A 57 -7.688 -9.975 -14.584 1.00 32.22 C ATOM 861 O MET A 57 -7.462 -11.036 -15.165 1.00 32.55 O ATOM 862 CB MET A 57 -9.776 -8.975 -15.531 1.00 55.53 C ATOM 863 CG MET A 57 -9.173 -7.655 -15.987 1.00 22.20 C ATOM 864 SD MET A 57 -10.424 -6.409 -16.353 1.00 61.42 S ATOM 865 CE MET A 57 -10.908 -5.919 -14.700 1.00 61.54 C ATOM 0 H MET A 57 -9.565 -7.667 -13.452 1.00 51.35 H new ATOM 0 HA MET A 57 -9.680 -10.419 -13.941 1.00 42.34 H new ATOM 0 HB2 MET A 57 -9.689 -9.703 -16.338 1.00 55.53 H new ATOM 0 HB3 MET A 57 -10.840 -8.833 -15.343 1.00 55.53 H new ATOM 0 HG2 MET A 57 -8.506 -7.278 -15.212 1.00 22.20 H new ATOM 0 HG3 MET A 57 -8.565 -7.826 -16.875 1.00 22.20 H new ATOM 0 HE1 MET A 57 -11.276 -4.893 -14.718 1.00 61.54 H new ATOM 0 HE2 MET A 57 -11.696 -6.581 -14.340 1.00 61.54 H new ATOM 0 HE3 MET A 57 -10.047 -5.984 -14.034 1.00 61.54 H new ATOM 875 N ASN A 58 -6.727 -9.145 -14.193 1.00 63.11 N ATOM 876 CA ASN A 58 -5.319 -9.440 -14.431 1.00 54.31 C ATOM 877 C ASN A 58 -4.750 -10.310 -13.314 1.00 2.51 C ATOM 878 O ASN A 58 -3.631 -10.814 -13.416 1.00 15.31 O ATOM 879 CB ASN A 58 -4.516 -8.142 -14.541 1.00 63.53 C ATOM 880 CG ASN A 58 -4.365 -7.676 -15.976 1.00 64.44 C ATOM 881 OD1 ASN A 58 -3.279 -7.281 -16.402 1.00 54.20 O ATOM 882 ND2 ASN A 58 -5.457 -7.721 -16.731 1.00 14.10 N ATOM 0 H ASN A 58 -6.897 -8.263 -13.710 1.00 63.11 H new ATOM 0 HA ASN A 58 -5.241 -9.988 -15.370 1.00 54.31 H new ATOM 0 HB2 ASN A 58 -5.008 -7.363 -13.959 1.00 63.53 H new ATOM 0 HB3 ASN A 58 -3.528 -8.291 -14.104 1.00 63.53 H new ATOM 0 HD21 ASN A 58 -5.416 -7.421 -17.705 1.00 14.10 H new ATOM 0 HD22 ASN A 58 -6.336 -8.056 -16.337 1.00 14.10 H new ATOM 889 N ASN A 59 -5.528 -10.482 -12.251 1.00 5.14 N ATOM 890 CA ASN A 59 -5.100 -11.292 -11.115 1.00 41.44 C ATOM 891 C ASN A 59 -4.741 -12.706 -11.559 1.00 43.25 C ATOM 892 O ASN A 59 -5.363 -13.261 -12.466 1.00 10.02 O ATOM 893 CB ASN A 59 -6.203 -11.343 -10.056 1.00 60.53 C ATOM 894 CG ASN A 59 -5.708 -11.893 -8.732 1.00 54.14 C ATOM 895 OD1 ASN A 59 -4.508 -11.886 -8.454 1.00 62.45 O ATOM 896 ND2 ASN A 59 -6.633 -12.371 -7.907 1.00 1.40 N ATOM 0 H ASN A 59 -6.457 -10.072 -12.152 1.00 5.14 H new ATOM 0 HA ASN A 59 -4.212 -10.829 -10.685 1.00 41.44 H new ATOM 0 HB2 ASN A 59 -6.603 -10.341 -9.903 1.00 60.53 H new ATOM 0 HB3 ASN A 59 -7.024 -11.962 -10.419 1.00 60.53 H new ATOM 0 HD21 ASN A 59 -6.360 -12.753 -7.001 1.00 1.40 H new ATOM 0 HD22 ASN A 59 -7.616 -12.356 -8.179 1.00 1.40 H new ATOM 903 N SER A 60 -3.732 -13.285 -10.915 1.00 51.02 N ATOM 904 CA SER A 60 -3.288 -14.634 -11.246 1.00 45.32 C ATOM 905 C SER A 60 -4.368 -15.659 -10.916 1.00 53.12 C ATOM 906 O SER A 60 -4.428 -16.731 -11.519 1.00 51.40 O ATOM 907 CB SER A 60 -2.001 -14.969 -10.488 1.00 61.54 C ATOM 908 OG SER A 60 -1.310 -16.040 -11.107 1.00 31.42 O ATOM 0 H SER A 60 -3.207 -12.841 -10.162 1.00 51.02 H new ATOM 0 HA SER A 60 -3.092 -14.673 -12.317 1.00 45.32 H new ATOM 0 HB2 SER A 60 -1.358 -14.090 -10.451 1.00 61.54 H new ATOM 0 HB3 SER A 60 -2.240 -15.233 -9.458 1.00 61.54 H new ATOM 0 HG SER A 60 -0.491 -16.234 -10.605 1.00 31.42 H new ATOM 914 N ASP A 61 -5.221 -15.321 -9.955 1.00 20.23 N ATOM 915 CA ASP A 61 -6.301 -16.211 -9.544 1.00 1.22 C ATOM 916 C ASP A 61 -7.369 -16.306 -10.630 1.00 1.01 C ATOM 917 O ASP A 61 -7.173 -15.838 -11.752 1.00 0.24 O ATOM 918 CB ASP A 61 -6.926 -15.719 -8.238 1.00 75.10 C ATOM 919 CG ASP A 61 -7.281 -16.857 -7.302 1.00 72.42 C ATOM 920 OD1 ASP A 61 -8.342 -17.484 -7.504 1.00 63.41 O ATOM 921 OD2 ASP A 61 -6.497 -17.121 -6.367 1.00 32.24 O ATOM 0 H ASP A 61 -5.186 -14.438 -9.446 1.00 20.23 H new ATOM 0 HA ASP A 61 -5.881 -17.204 -9.385 1.00 1.22 H new ATOM 0 HB2 ASP A 61 -6.231 -15.044 -7.738 1.00 75.10 H new ATOM 0 HB3 ASP A 61 -7.824 -15.143 -8.462 1.00 75.10 H new ATOM 926 N LYS A 62 -8.498 -16.917 -10.289 1.00 72.42 N ATOM 927 CA LYS A 62 -9.599 -17.075 -11.234 1.00 22.14 C ATOM 928 C LYS A 62 -10.919 -16.639 -10.607 1.00 71.21 C ATOM 929 O LYS A 62 -11.639 -15.812 -11.167 1.00 30.35 O ATOM 930 CB LYS A 62 -9.696 -18.531 -11.696 1.00 12.51 C ATOM 931 CG LYS A 62 -8.352 -19.152 -12.038 1.00 54.33 C ATOM 932 CD LYS A 62 -7.770 -19.906 -10.856 1.00 22.50 C ATOM 933 CE LYS A 62 -8.582 -21.152 -10.535 1.00 1.31 C ATOM 934 NZ LYS A 62 -7.708 -22.317 -10.220 1.00 53.21 N ATOM 0 H LYS A 62 -8.676 -17.311 -9.365 1.00 72.42 H new ATOM 0 HA LYS A 62 -9.400 -16.440 -12.097 1.00 22.14 H new ATOM 0 HB2 LYS A 62 -10.170 -19.121 -10.912 1.00 12.51 H new ATOM 0 HB3 LYS A 62 -10.344 -18.583 -12.571 1.00 12.51 H new ATOM 0 HG2 LYS A 62 -8.468 -19.831 -12.882 1.00 54.33 H new ATOM 0 HG3 LYS A 62 -7.658 -18.371 -12.350 1.00 54.33 H new ATOM 0 HD2 LYS A 62 -6.740 -20.188 -11.074 1.00 22.50 H new ATOM 0 HD3 LYS A 62 -7.744 -19.253 -9.984 1.00 22.50 H new ATOM 0 HE2 LYS A 62 -9.238 -20.950 -9.688 1.00 1.31 H new ATOM 0 HE3 LYS A 62 -9.222 -21.397 -11.382 1.00 1.31 H new ATOM 0 HZ1 LYS A 62 -8.298 -23.146 -10.007 1.00 53.21 H new ATOM 0 HZ2 LYS A 62 -7.100 -22.526 -11.037 1.00 53.21 H new ATOM 0 HZ3 LYS A 62 -7.115 -22.093 -9.396 1.00 53.21 H new ATOM 948 N ARG A 63 -11.231 -17.200 -9.444 1.00 21.21 N ATOM 949 CA ARG A 63 -12.464 -16.870 -8.742 1.00 75.30 C ATOM 950 C ARG A 63 -12.421 -15.441 -8.209 1.00 31.02 C ATOM 951 O ARG A 63 -13.459 -14.832 -7.947 1.00 50.04 O ATOM 952 CB ARG A 63 -12.700 -17.848 -7.589 1.00 63.01 C ATOM 953 CG ARG A 63 -13.718 -18.931 -7.908 1.00 51.41 C ATOM 954 CD ARG A 63 -13.154 -19.958 -8.877 1.00 4.02 C ATOM 955 NE ARG A 63 -14.176 -20.895 -9.338 1.00 11.14 N ATOM 956 CZ ARG A 63 -13.903 -22.012 -10.001 1.00 23.43 C ATOM 957 NH1 ARG A 63 -12.646 -22.332 -10.279 1.00 24.12 N ATOM 958 NH2 ARG A 63 -14.887 -22.815 -10.387 1.00 11.54 N ATOM 0 H ARG A 63 -10.646 -17.886 -8.968 1.00 21.21 H new ATOM 0 HA ARG A 63 -13.287 -16.951 -9.452 1.00 75.30 H new ATOM 0 HB2 ARG A 63 -11.753 -18.318 -7.323 1.00 63.01 H new ATOM 0 HB3 ARG A 63 -13.036 -17.291 -6.714 1.00 63.01 H new ATOM 0 HG2 ARG A 63 -14.023 -19.428 -6.987 1.00 51.41 H new ATOM 0 HG3 ARG A 63 -14.611 -18.477 -8.337 1.00 51.41 H new ATOM 0 HD2 ARG A 63 -12.718 -19.446 -9.735 1.00 4.02 H new ATOM 0 HD3 ARG A 63 -12.349 -20.510 -8.392 1.00 4.02 H new ATOM 0 HE ARG A 63 -15.153 -20.679 -9.139 1.00 11.14 H new ATOM 0 HH11 ARG A 63 -11.886 -21.719 -9.983 1.00 24.12 H new ATOM 0 HH12 ARG A 63 -12.439 -23.191 -10.789 1.00 24.12 H new ATOM 0 HH21 ARG A 63 -15.855 -22.574 -10.174 1.00 11.54 H new ATOM 0 HH22 ARG A 63 -14.675 -23.673 -10.896 1.00 11.54 H new ATOM 972 N PHE A 64 -11.213 -14.910 -8.049 1.00 22.41 N ATOM 973 CA PHE A 64 -11.033 -13.554 -7.545 1.00 43.34 C ATOM 974 C PHE A 64 -10.312 -12.685 -8.571 1.00 3.41 C ATOM 975 O PHE A 64 -9.700 -11.674 -8.225 1.00 62.42 O ATOM 976 CB PHE A 64 -10.245 -13.574 -6.234 1.00 75.31 C ATOM 977 CG PHE A 64 -11.106 -13.783 -5.021 1.00 21.12 C ATOM 978 CD1 PHE A 64 -11.675 -15.019 -4.764 1.00 22.54 C ATOM 979 CD2 PHE A 64 -11.347 -12.741 -4.139 1.00 64.25 C ATOM 980 CE1 PHE A 64 -12.467 -15.215 -3.648 1.00 74.52 C ATOM 981 CE2 PHE A 64 -12.138 -12.931 -3.021 1.00 43.22 C ATOM 982 CZ PHE A 64 -12.700 -14.168 -2.777 1.00 21.45 C ATOM 0 H PHE A 64 -10.344 -15.399 -8.261 1.00 22.41 H new ATOM 0 HA PHE A 64 -12.019 -13.128 -7.361 1.00 43.34 H new ATOM 0 HB2 PHE A 64 -9.498 -14.366 -6.280 1.00 75.31 H new ATOM 0 HB3 PHE A 64 -9.705 -12.633 -6.129 1.00 75.31 H new ATOM 0 HD1 PHE A 64 -11.498 -15.840 -5.443 1.00 22.54 H new ATOM 0 HD2 PHE A 64 -10.912 -11.770 -4.327 1.00 64.25 H new ATOM 0 HE1 PHE A 64 -12.903 -16.185 -3.457 1.00 74.52 H new ATOM 0 HE2 PHE A 64 -12.316 -12.112 -2.339 1.00 43.22 H new ATOM 0 HZ PHE A 64 -13.321 -14.317 -1.906 1.00 21.45 H new ATOM 992 N ALA A 65 -10.388 -13.085 -9.836 1.00 60.15 N ATOM 993 CA ALA A 65 -9.745 -12.342 -10.914 1.00 31.31 C ATOM 994 C ALA A 65 -10.778 -11.645 -11.792 1.00 52.34 C ATOM 995 O ALA A 65 -10.974 -12.017 -12.949 1.00 75.15 O ATOM 996 CB ALA A 65 -8.879 -13.272 -11.750 1.00 3.54 C ATOM 0 H ALA A 65 -10.889 -13.920 -10.140 1.00 60.15 H new ATOM 0 HA ALA A 65 -9.111 -11.576 -10.468 1.00 31.31 H new ATOM 0 HB1 ALA A 65 -8.405 -12.705 -12.551 1.00 3.54 H new ATOM 0 HB2 ALA A 65 -8.111 -13.720 -11.119 1.00 3.54 H new ATOM 0 HB3 ALA A 65 -9.499 -14.058 -12.180 1.00 3.54 H new ATOM 1002 N ASP A 66 -11.435 -10.634 -11.236 1.00 54.20 N ATOM 1003 CA ASP A 66 -12.447 -9.883 -11.970 1.00 34.51 C ATOM 1004 C ASP A 66 -12.979 -8.725 -11.132 1.00 12.53 C ATOM 1005 O ASP A 66 -13.132 -8.843 -9.916 1.00 20.01 O ATOM 1006 CB ASP A 66 -13.599 -10.804 -12.378 1.00 63.31 C ATOM 1007 CG ASP A 66 -13.511 -11.231 -13.830 1.00 21.41 C ATOM 1008 OD1 ASP A 66 -13.481 -10.345 -14.709 1.00 14.32 O ATOM 1009 OD2 ASP A 66 -13.473 -12.453 -14.087 1.00 0.55 O ATOM 0 H ASP A 66 -11.285 -10.315 -10.279 1.00 54.20 H new ATOM 0 HA ASP A 66 -11.982 -9.475 -12.867 1.00 34.51 H new ATOM 0 HB2 ASP A 66 -13.596 -11.689 -11.741 1.00 63.31 H new ATOM 0 HB3 ASP A 66 -14.547 -10.293 -12.209 1.00 63.31 H new ATOM 1014 N CYS A 67 -13.258 -7.605 -11.791 1.00 14.44 N ATOM 1015 CA CYS A 67 -13.772 -6.423 -11.107 1.00 3.25 C ATOM 1016 C CYS A 67 -15.145 -6.698 -10.504 1.00 20.12 C ATOM 1017 O CYS A 67 -15.552 -6.049 -9.539 1.00 41.55 O ATOM 1018 CB CYS A 67 -13.855 -5.243 -12.077 1.00 65.12 C ATOM 1019 SG CYS A 67 -12.350 -4.218 -12.133 1.00 23.33 S ATOM 0 H CYS A 67 -13.137 -7.491 -12.797 1.00 14.44 H new ATOM 0 HA CYS A 67 -13.084 -6.173 -10.299 1.00 3.25 H new ATOM 0 HB2 CYS A 67 -14.060 -5.623 -13.078 1.00 65.12 H new ATOM 0 HB3 CYS A 67 -14.700 -4.614 -11.796 1.00 65.12 H new ATOM 0 HG CYS A 67 -12.121 -3.718 -10.955 1.00 23.33 H new ATOM 1024 N SER A 68 -15.855 -7.663 -11.077 1.00 22.41 N ATOM 1025 CA SER A 68 -17.185 -8.022 -10.598 1.00 13.10 C ATOM 1026 C SER A 68 -17.104 -8.741 -9.254 1.00 45.42 C ATOM 1027 O SER A 68 -18.042 -8.702 -8.459 1.00 25.41 O ATOM 1028 CB SER A 68 -17.897 -8.909 -11.622 1.00 22.33 C ATOM 1029 OG SER A 68 -19.151 -9.350 -11.130 1.00 53.13 O ATOM 0 H SER A 68 -15.532 -8.211 -11.874 1.00 22.41 H new ATOM 0 HA SER A 68 -17.756 -7.103 -10.464 1.00 13.10 H new ATOM 0 HB2 SER A 68 -18.041 -8.355 -12.550 1.00 22.33 H new ATOM 0 HB3 SER A 68 -17.272 -9.770 -11.859 1.00 22.33 H new ATOM 0 HG SER A 68 -19.587 -9.914 -11.803 1.00 53.13 H new ATOM 1035 N LYS A 69 -15.974 -9.396 -9.009 1.00 60.35 N ATOM 1036 CA LYS A 69 -15.767 -10.124 -7.763 1.00 12.22 C ATOM 1037 C LYS A 69 -15.589 -9.160 -6.594 1.00 4.40 C ATOM 1038 O LYS A 69 -15.348 -7.969 -6.790 1.00 11.30 O ATOM 1039 CB LYS A 69 -14.542 -11.034 -7.878 1.00 2.13 C ATOM 1040 CG LYS A 69 -14.542 -11.899 -9.126 1.00 61.44 C ATOM 1041 CD LYS A 69 -15.768 -12.796 -9.182 1.00 0.52 C ATOM 1042 CE LYS A 69 -15.640 -13.846 -10.276 1.00 30.34 C ATOM 1043 NZ LYS A 69 -16.634 -13.637 -11.364 1.00 72.05 N ATOM 0 H LYS A 69 -15.188 -9.437 -9.657 1.00 60.35 H new ATOM 0 HA LYS A 69 -16.650 -10.735 -7.577 1.00 12.22 H new ATOM 0 HB2 LYS A 69 -13.642 -10.420 -7.872 1.00 2.13 H new ATOM 0 HB3 LYS A 69 -14.494 -11.678 -7.000 1.00 2.13 H new ATOM 0 HG2 LYS A 69 -14.514 -11.263 -10.011 1.00 61.44 H new ATOM 0 HG3 LYS A 69 -13.641 -12.511 -9.146 1.00 61.44 H new ATOM 0 HD2 LYS A 69 -15.905 -13.287 -8.219 1.00 0.52 H new ATOM 0 HD3 LYS A 69 -16.656 -12.190 -9.360 1.00 0.52 H new ATOM 0 HE2 LYS A 69 -14.633 -13.815 -10.693 1.00 30.34 H new ATOM 0 HE3 LYS A 69 -15.776 -14.838 -9.845 1.00 30.34 H new ATOM 0 HZ1 LYS A 69 -16.514 -14.372 -12.090 1.00 72.05 H new ATOM 0 HZ2 LYS A 69 -17.595 -13.692 -10.971 1.00 72.05 H new ATOM 0 HZ3 LYS A 69 -16.488 -12.701 -11.793 1.00 72.05 H new ATOM 1057 N SER A 70 -15.708 -9.683 -5.378 1.00 63.41 N ATOM 1058 CA SER A 70 -15.563 -8.868 -4.178 1.00 21.44 C ATOM 1059 C SER A 70 -14.102 -8.797 -3.743 1.00 63.34 C ATOM 1060 O SER A 70 -13.222 -9.354 -4.398 1.00 14.45 O ATOM 1061 CB SER A 70 -16.417 -9.438 -3.043 1.00 3.40 C ATOM 1062 OG SER A 70 -16.888 -10.736 -3.361 1.00 12.42 O ATOM 0 H SER A 70 -15.904 -10.668 -5.198 1.00 63.41 H new ATOM 0 HA SER A 70 -15.905 -7.859 -4.410 1.00 21.44 H new ATOM 0 HB2 SER A 70 -15.830 -9.476 -2.126 1.00 3.40 H new ATOM 0 HB3 SER A 70 -17.263 -8.777 -2.853 1.00 3.40 H new ATOM 0 HG SER A 70 -17.429 -11.078 -2.619 1.00 12.42 H new ATOM 1068 N GLN A 71 -13.855 -8.108 -2.633 1.00 43.43 N ATOM 1069 CA GLN A 71 -12.501 -7.962 -2.112 1.00 21.23 C ATOM 1070 C GLN A 71 -12.032 -9.253 -1.448 1.00 35.24 C ATOM 1071 O GLN A 71 -12.838 -10.130 -1.140 1.00 23.53 O ATOM 1072 CB GLN A 71 -12.439 -6.807 -1.110 1.00 64.53 C ATOM 1073 CG GLN A 71 -11.025 -6.341 -0.806 1.00 41.41 C ATOM 1074 CD GLN A 71 -10.981 -4.929 -0.256 1.00 33.00 C ATOM 1075 OE1 GLN A 71 -12.010 -4.262 -0.145 1.00 62.44 O ATOM 1076 NE2 GLN A 71 -9.786 -4.466 0.093 1.00 74.42 N ATOM 0 H GLN A 71 -14.574 -7.643 -2.078 1.00 43.43 H new ATOM 0 HA GLN A 71 -11.838 -7.743 -2.949 1.00 21.23 H new ATOM 0 HB2 GLN A 71 -13.013 -5.967 -1.501 1.00 64.53 H new ATOM 0 HB3 GLN A 71 -12.918 -7.117 -0.181 1.00 64.53 H new ATOM 0 HG2 GLN A 71 -10.569 -7.021 -0.087 1.00 41.41 H new ATOM 0 HG3 GLN A 71 -10.427 -6.391 -1.716 1.00 41.41 H new ATOM 0 HE21 GLN A 71 -8.960 -5.054 -0.016 1.00 74.42 H new ATOM 0 HE22 GLN A 71 -9.695 -3.523 0.470 1.00 74.42 H new ATOM 1085 N GLU A 72 -10.725 -9.359 -1.228 1.00 61.12 N ATOM 1086 CA GLU A 72 -10.150 -10.544 -0.601 1.00 52.42 C ATOM 1087 C GLU A 72 -10.064 -10.370 0.912 1.00 10.44 C ATOM 1088 O GLU A 72 -10.318 -11.304 1.671 1.00 62.40 O ATOM 1089 CB GLU A 72 -8.761 -10.828 -1.174 1.00 10.35 C ATOM 1090 CG GLU A 72 -8.692 -10.720 -2.689 1.00 33.54 C ATOM 1091 CD GLU A 72 -7.872 -11.831 -3.315 1.00 42.11 C ATOM 1092 OE1 GLU A 72 -6.715 -12.026 -2.888 1.00 24.33 O ATOM 1093 OE2 GLU A 72 -8.387 -12.504 -4.232 1.00 21.42 O ATOM 0 H GLU A 72 -10.045 -8.640 -1.474 1.00 61.12 H new ATOM 0 HA GLU A 72 -10.802 -11.391 -0.815 1.00 52.42 H new ATOM 0 HB2 GLU A 72 -8.047 -10.130 -0.736 1.00 10.35 H new ATOM 0 HB3 GLU A 72 -8.452 -11.830 -0.875 1.00 10.35 H new ATOM 0 HG2 GLU A 72 -9.702 -10.744 -3.098 1.00 33.54 H new ATOM 0 HG3 GLU A 72 -8.261 -9.757 -2.962 1.00 33.54 H new ATOM 1100 N MET A 73 -9.701 -9.166 1.344 1.00 4.52 N ATOM 1101 CA MET A 73 -9.580 -8.868 2.766 1.00 72.22 C ATOM 1102 C MET A 73 -10.223 -7.525 3.097 1.00 12.44 C ATOM 1103 O MET A 73 -10.530 -6.736 2.203 1.00 63.12 O ATOM 1104 CB MET A 73 -8.109 -8.861 3.185 1.00 53.42 C ATOM 1105 CG MET A 73 -7.495 -10.248 3.273 1.00 23.15 C ATOM 1106 SD MET A 73 -6.341 -10.410 4.649 1.00 3.24 S ATOM 1107 CE MET A 73 -5.451 -8.860 4.528 1.00 22.43 C ATOM 0 H MET A 73 -9.486 -8.381 0.729 1.00 4.52 H new ATOM 0 HA MET A 73 -10.103 -9.647 3.320 1.00 72.22 H new ATOM 0 HB2 MET A 73 -7.540 -8.265 2.472 1.00 53.42 H new ATOM 0 HB3 MET A 73 -8.018 -8.370 4.154 1.00 53.42 H new ATOM 0 HG2 MET A 73 -8.289 -10.987 3.381 1.00 23.15 H new ATOM 0 HG3 MET A 73 -6.976 -10.472 2.341 1.00 23.15 H new ATOM 0 HE1 MET A 73 -4.398 -9.026 4.758 1.00 22.43 H new ATOM 0 HE2 MET A 73 -5.544 -8.465 3.516 1.00 22.43 H new ATOM 0 HE3 MET A 73 -5.868 -8.144 5.236 1.00 22.43 H new ATOM 1117 N SER A 74 -10.422 -7.270 4.386 1.00 3.12 N ATOM 1118 CA SER A 74 -11.032 -6.024 4.835 1.00 2.43 C ATOM 1119 C SER A 74 -9.996 -4.905 4.896 1.00 41.32 C ATOM 1120 O SER A 74 -8.815 -5.149 5.137 1.00 24.11 O ATOM 1121 CB SER A 74 -11.677 -6.212 6.208 1.00 35.02 C ATOM 1122 OG SER A 74 -12.465 -7.390 6.244 1.00 25.44 O ATOM 0 H SER A 74 -10.169 -7.910 5.139 1.00 3.12 H new ATOM 0 HA SER A 74 -11.802 -5.745 4.116 1.00 2.43 H new ATOM 0 HB2 SER A 74 -10.902 -6.265 6.973 1.00 35.02 H new ATOM 0 HB3 SER A 74 -12.298 -5.348 6.443 1.00 35.02 H new ATOM 0 HG SER A 74 -12.865 -7.489 7.133 1.00 25.44 H new ATOM 1128 N ASN A 75 -10.449 -3.675 4.675 1.00 53.20 N ATOM 1129 CA ASN A 75 -9.564 -2.517 4.705 1.00 25.12 C ATOM 1130 C ASN A 75 -8.729 -2.503 5.982 1.00 13.41 C ATOM 1131 O ASN A 75 -7.542 -2.180 5.956 1.00 32.41 O ATOM 1132 CB ASN A 75 -10.376 -1.224 4.597 1.00 23.44 C ATOM 1133 CG ASN A 75 -10.765 -0.903 3.168 1.00 42.10 C ATOM 1134 OD1 ASN A 75 -11.946 -0.759 2.851 1.00 14.24 O ATOM 1135 ND2 ASN A 75 -9.770 -0.790 2.296 1.00 44.32 N ATOM 0 H ASN A 75 -11.424 -3.455 4.473 1.00 53.20 H new ATOM 0 HA ASN A 75 -8.889 -2.585 3.852 1.00 25.12 H new ATOM 0 HB2 ASN A 75 -11.277 -1.312 5.205 1.00 23.44 H new ATOM 0 HB3 ASN A 75 -9.795 -0.398 5.007 1.00 23.44 H new ATOM 0 HD21 ASN A 75 -9.970 -0.576 1.319 1.00 44.32 H new ATOM 0 HD22 ASN A 75 -8.806 -0.917 2.603 1.00 44.32 H new ATOM 1142 N GLU A 76 -9.360 -2.853 7.099 1.00 70.44 N ATOM 1143 CA GLU A 76 -8.676 -2.881 8.386 1.00 54.22 C ATOM 1144 C GLU A 76 -7.523 -3.880 8.369 1.00 72.44 C ATOM 1145 O GLU A 76 -6.410 -3.567 8.787 1.00 15.33 O ATOM 1146 CB GLU A 76 -9.658 -3.238 9.503 1.00 14.41 C ATOM 1147 CG GLU A 76 -10.434 -4.518 9.246 1.00 41.13 C ATOM 1148 CD GLU A 76 -11.859 -4.451 9.761 1.00 20.34 C ATOM 1149 OE1 GLU A 76 -12.634 -3.614 9.254 1.00 43.23 O ATOM 1150 OE2 GLU A 76 -12.198 -5.235 10.673 1.00 43.23 O ATOM 0 H GLU A 76 -10.343 -3.121 7.138 1.00 70.44 H new ATOM 0 HA GLU A 76 -8.269 -1.887 8.573 1.00 54.22 H new ATOM 0 HB2 GLU A 76 -9.109 -3.338 10.439 1.00 14.41 H new ATOM 0 HB3 GLU A 76 -10.362 -2.416 9.632 1.00 14.41 H new ATOM 0 HG2 GLU A 76 -10.448 -4.721 8.175 1.00 41.13 H new ATOM 0 HG3 GLU A 76 -9.919 -5.352 9.722 1.00 41.13 H new ATOM 1157 N GLU A 77 -7.800 -5.086 7.881 1.00 73.43 N ATOM 1158 CA GLU A 77 -6.787 -6.132 7.811 1.00 21.01 C ATOM 1159 C GLU A 77 -5.615 -5.696 6.937 1.00 3.24 C ATOM 1160 O GLU A 77 -4.454 -5.902 7.290 1.00 23.33 O ATOM 1161 CB GLU A 77 -7.395 -7.425 7.262 1.00 44.32 C ATOM 1162 CG GLU A 77 -8.531 -7.972 8.109 1.00 11.43 C ATOM 1163 CD GLU A 77 -8.563 -9.488 8.134 1.00 52.31 C ATOM 1164 OE1 GLU A 77 -9.216 -10.081 7.250 1.00 54.32 O ATOM 1165 OE2 GLU A 77 -7.935 -10.080 9.036 1.00 60.33 O ATOM 0 H GLU A 77 -8.717 -5.362 7.529 1.00 73.43 H new ATOM 0 HA GLU A 77 -6.417 -6.313 8.820 1.00 21.01 H new ATOM 0 HB2 GLU A 77 -7.761 -7.244 6.252 1.00 44.32 H new ATOM 0 HB3 GLU A 77 -6.613 -8.181 7.187 1.00 44.32 H new ATOM 0 HG2 GLU A 77 -8.432 -7.598 9.128 1.00 11.43 H new ATOM 0 HG3 GLU A 77 -9.479 -7.599 7.723 1.00 11.43 H new ATOM 1172 N ILE A 78 -5.928 -5.094 5.795 1.00 43.13 N ATOM 1173 CA ILE A 78 -4.902 -4.628 4.871 1.00 44.03 C ATOM 1174 C ILE A 78 -4.085 -3.494 5.481 1.00 64.14 C ATOM 1175 O ILE A 78 -2.857 -3.492 5.409 1.00 61.11 O ATOM 1176 CB ILE A 78 -5.516 -4.146 3.543 1.00 75.12 C ATOM 1177 CG1 ILE A 78 -6.420 -5.230 2.951 1.00 55.22 C ATOM 1178 CG2 ILE A 78 -4.420 -3.767 2.558 1.00 71.52 C ATOM 1179 CD1 ILE A 78 -7.292 -4.736 1.817 1.00 1.12 C ATOM 0 H ILE A 78 -6.884 -4.917 5.487 1.00 43.13 H new ATOM 0 HA ILE A 78 -4.248 -5.477 4.673 1.00 44.03 H new ATOM 0 HB ILE A 78 -6.121 -3.261 3.740 1.00 75.12 H new ATOM 0 HG12 ILE A 78 -5.801 -6.052 2.591 1.00 55.22 H new ATOM 0 HG13 ILE A 78 -7.056 -5.632 3.740 1.00 55.22 H new ATOM 0 HG21 ILE A 78 -4.870 -3.429 1.625 1.00 71.52 H new ATOM 0 HG22 ILE A 78 -3.813 -2.966 2.980 1.00 71.52 H new ATOM 0 HG23 ILE A 78 -3.790 -4.635 2.363 1.00 71.52 H new ATOM 0 HD11 ILE A 78 -7.906 -5.557 1.446 1.00 1.12 H new ATOM 0 HD12 ILE A 78 -7.937 -3.934 2.177 1.00 1.12 H new ATOM 0 HD13 ILE A 78 -6.662 -4.361 1.011 1.00 1.12 H new ATOM 1191 N ASN A 79 -4.776 -2.533 6.084 1.00 74.33 N ATOM 1192 CA ASN A 79 -4.116 -1.394 6.709 1.00 14.44 C ATOM 1193 C ASN A 79 -3.137 -1.855 7.786 1.00 41.12 C ATOM 1194 O ASN A 79 -2.022 -1.345 7.884 1.00 30.03 O ATOM 1195 CB ASN A 79 -5.151 -0.447 7.319 1.00 34.20 C ATOM 1196 CG ASN A 79 -4.927 -0.220 8.801 1.00 4.01 C ATOM 1197 OD1 ASN A 79 -4.170 0.667 9.197 1.00 45.20 O ATOM 1198 ND2 ASN A 79 -5.583 -1.024 9.630 1.00 52.12 N ATOM 0 H ASN A 79 -5.794 -2.521 6.153 1.00 74.33 H new ATOM 0 HA ASN A 79 -3.558 -0.863 5.937 1.00 14.44 H new ATOM 0 HB2 ASN A 79 -5.115 0.510 6.798 1.00 34.20 H new ATOM 0 HB3 ASN A 79 -6.149 -0.856 7.164 1.00 34.20 H new ATOM 0 HD21 ASN A 79 -5.469 -0.920 10.638 1.00 52.12 H new ATOM 0 HD22 ASN A 79 -6.200 -1.746 9.258 1.00 52.12 H new ATOM 1205 N GLU A 80 -3.564 -2.824 8.589 1.00 63.24 N ATOM 1206 CA GLU A 80 -2.725 -3.355 9.657 1.00 12.21 C ATOM 1207 C GLU A 80 -1.644 -4.275 9.095 1.00 52.02 C ATOM 1208 O GLU A 80 -0.565 -4.404 9.670 1.00 13.13 O ATOM 1209 CB GLU A 80 -3.578 -4.114 10.676 1.00 10.20 C ATOM 1210 CG GLU A 80 -4.154 -5.413 10.140 1.00 61.01 C ATOM 1211 CD GLU A 80 -4.779 -6.267 11.226 1.00 24.34 C ATOM 1212 OE1 GLU A 80 -5.873 -5.907 11.706 1.00 34.25 O ATOM 1213 OE2 GLU A 80 -4.172 -7.295 11.595 1.00 73.42 O ATOM 0 H GLU A 80 -4.485 -3.257 8.521 1.00 63.24 H new ATOM 0 HA GLU A 80 -2.239 -2.515 10.154 1.00 12.21 H new ATOM 0 HB2 GLU A 80 -2.971 -4.331 11.555 1.00 10.20 H new ATOM 0 HB3 GLU A 80 -4.395 -3.472 11.003 1.00 10.20 H new ATOM 0 HG2 GLU A 80 -4.905 -5.188 9.383 1.00 61.01 H new ATOM 0 HG3 GLU A 80 -3.364 -5.980 9.647 1.00 61.01 H new ATOM 1220 N GLU A 81 -1.946 -4.912 7.969 1.00 41.35 N ATOM 1221 CA GLU A 81 -1.001 -5.821 7.330 1.00 73.45 C ATOM 1222 C GLU A 81 0.234 -5.069 6.844 1.00 15.43 C ATOM 1223 O GLU A 81 1.366 -5.439 7.162 1.00 51.24 O ATOM 1224 CB GLU A 81 -1.667 -6.542 6.157 1.00 43.45 C ATOM 1225 CG GLU A 81 -0.755 -7.536 5.455 1.00 34.13 C ATOM 1226 CD GLU A 81 -0.182 -8.571 6.404 1.00 13.33 C ATOM 1227 OE1 GLU A 81 -0.973 -9.303 7.034 1.00 45.41 O ATOM 1228 OE2 GLU A 81 1.060 -8.647 6.516 1.00 3.13 O ATOM 0 H GLU A 81 -2.836 -4.816 7.480 1.00 41.35 H new ATOM 0 HA GLU A 81 -0.688 -6.558 8.070 1.00 73.45 H new ATOM 0 HB2 GLU A 81 -2.551 -7.066 6.519 1.00 43.45 H new ATOM 0 HB3 GLU A 81 -2.009 -5.802 5.434 1.00 43.45 H new ATOM 0 HG2 GLU A 81 -1.312 -8.041 4.666 1.00 34.13 H new ATOM 0 HG3 GLU A 81 0.062 -6.998 4.974 1.00 34.13 H new ATOM 1235 N LEU A 82 0.009 -4.012 6.072 1.00 44.12 N ATOM 1236 CA LEU A 82 1.104 -3.206 5.540 1.00 53.15 C ATOM 1237 C LEU A 82 1.599 -2.207 6.580 1.00 41.10 C ATOM 1238 O LEU A 82 2.770 -1.828 6.584 1.00 40.43 O ATOM 1239 CB LEU A 82 0.653 -2.466 4.279 1.00 61.22 C ATOM 1240 CG LEU A 82 0.104 -3.337 3.149 1.00 22.31 C ATOM 1241 CD1 LEU A 82 -1.353 -3.001 2.875 1.00 64.05 C ATOM 1242 CD2 LEU A 82 0.940 -3.164 1.888 1.00 30.45 C ATOM 0 H LEU A 82 -0.921 -3.692 5.800 1.00 44.12 H new ATOM 0 HA LEU A 82 1.926 -3.876 5.286 1.00 53.15 H new ATOM 0 HB2 LEU A 82 -0.114 -1.745 4.560 1.00 61.22 H new ATOM 0 HB3 LEU A 82 1.499 -1.897 3.894 1.00 61.22 H new ATOM 0 HG LEU A 82 0.162 -4.380 3.459 1.00 22.31 H new ATOM 0 HD11 LEU A 82 -1.726 -3.631 2.068 1.00 64.05 H new ATOM 0 HD12 LEU A 82 -1.942 -3.177 3.775 1.00 64.05 H new ATOM 0 HD13 LEU A 82 -1.437 -1.953 2.586 1.00 64.05 H new ATOM 0 HD21 LEU A 82 0.535 -3.791 1.094 1.00 30.45 H new ATOM 0 HD22 LEU A 82 0.914 -2.120 1.575 1.00 30.45 H new ATOM 0 HD23 LEU A 82 1.970 -3.456 2.091 1.00 30.45 H new ATOM 1254 N GLY A 83 0.700 -1.786 7.465 1.00 62.41 N ATOM 1255 CA GLY A 83 1.066 -0.837 8.500 1.00 54.22 C ATOM 1256 C GLY A 83 0.868 0.601 8.062 1.00 15.44 C ATOM 1257 O GLY A 83 1.616 1.490 8.474 1.00 71.43 O ATOM 0 H GLY A 83 -0.275 -2.085 7.483 1.00 62.41 H new ATOM 0 HA2 GLY A 83 0.469 -1.028 9.392 1.00 54.22 H new ATOM 0 HA3 GLY A 83 2.109 -0.989 8.776 1.00 54.22 H new ATOM 1261 N ILE A 84 -0.139 0.832 7.227 1.00 21.21 N ATOM 1262 CA ILE A 84 -0.431 2.172 6.734 1.00 40.04 C ATOM 1263 C ILE A 84 -1.658 2.756 7.425 1.00 63.41 C ATOM 1264 O ILE A 84 -2.219 2.149 8.337 1.00 4.21 O ATOM 1265 CB ILE A 84 -0.663 2.173 5.211 1.00 11.14 C ATOM 1266 CG1 ILE A 84 -1.873 1.306 4.857 1.00 12.12 C ATOM 1267 CG2 ILE A 84 0.580 1.680 4.485 1.00 35.52 C ATOM 1268 CD1 ILE A 84 -2.261 1.378 3.397 1.00 42.12 C ATOM 0 H ILE A 84 -0.767 0.108 6.877 1.00 21.21 H new ATOM 0 HA ILE A 84 0.439 2.789 6.961 1.00 40.04 H new ATOM 0 HB ILE A 84 -0.866 3.195 4.890 1.00 11.14 H new ATOM 0 HG12 ILE A 84 -1.656 0.270 5.116 1.00 12.12 H new ATOM 0 HG13 ILE A 84 -2.722 1.616 5.466 1.00 12.12 H new ATOM 0 HG21 ILE A 84 0.400 1.687 3.410 1.00 35.52 H new ATOM 0 HG22 ILE A 84 1.420 2.335 4.716 1.00 35.52 H new ATOM 0 HG23 ILE A 84 0.811 0.665 4.808 1.00 35.52 H new ATOM 0 HD11 ILE A 84 -3.126 0.739 3.218 1.00 42.12 H new ATOM 0 HD12 ILE A 84 -2.510 2.407 3.137 1.00 42.12 H new ATOM 0 HD13 ILE A 84 -1.427 1.040 2.782 1.00 42.12 H new ATOM 1280 N GLY A 85 -2.073 3.939 6.982 1.00 64.53 N ATOM 1281 CA GLY A 85 -3.234 4.585 7.567 1.00 31.22 C ATOM 1282 C GLY A 85 -4.363 4.762 6.571 1.00 1.52 C ATOM 1283 O GLY A 85 -4.548 5.848 6.022 1.00 10.21 O ATOM 0 H GLY A 85 -1.626 4.462 6.229 1.00 64.53 H new ATOM 0 HA2 GLY A 85 -3.588 3.993 8.411 1.00 31.22 H new ATOM 0 HA3 GLY A 85 -2.944 5.560 7.960 1.00 31.22 H new ATOM 1287 N GLN A 86 -5.117 3.694 6.336 1.00 24.35 N ATOM 1288 CA GLN A 86 -6.231 3.736 5.397 1.00 34.05 C ATOM 1289 C GLN A 86 -7.405 4.517 5.981 1.00 3.11 C ATOM 1290 O GLN A 86 -7.466 4.755 7.187 1.00 61.32 O ATOM 1291 CB GLN A 86 -6.676 2.319 5.036 1.00 64.33 C ATOM 1292 CG GLN A 86 -6.038 1.786 3.763 1.00 2.12 C ATOM 1293 CD GLN A 86 -6.130 0.277 3.651 1.00 33.41 C ATOM 1294 OE1 GLN A 86 -7.051 -0.341 4.187 1.00 3.11 O ATOM 1295 NE2 GLN A 86 -5.175 -0.324 2.952 1.00 22.43 N ATOM 0 H GLN A 86 -4.977 2.788 6.783 1.00 24.35 H new ATOM 0 HA GLN A 86 -5.893 4.243 4.494 1.00 34.05 H new ATOM 0 HB2 GLN A 86 -6.434 1.650 5.862 1.00 64.33 H new ATOM 0 HB3 GLN A 86 -7.760 2.306 4.922 1.00 64.33 H new ATOM 0 HG2 GLN A 86 -6.524 2.241 2.900 1.00 2.12 H new ATOM 0 HG3 GLN A 86 -4.990 2.085 3.733 1.00 2.12 H new ATOM 0 HE21 GLN A 86 -4.431 0.228 2.525 1.00 22.43 H new ATOM 0 HE22 GLN A 86 -5.185 -1.338 2.842 1.00 22.43 H new