USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=12 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 75 ASN : amide:sc= 0.189 K(o=-3.4,f=-0.16) USER MOD Set 1.2: A 86 GLN : amide:sc= -3.6! K(o=-3.4!,f=-0.16) USER MOD Set 2.1: A 31 CYS SG : rot 149:sc= -0.0371 USER MOD Set 2.2: A 34 CYS SG : rot -50:sc= 0.64 USER MOD Set 2.3: A 56 CYS SG : rot 116:sc= -0.0166 USER MOD Set 2.4: A 57 MET CE :methyl 156:sc= -1.67 (180deg=-1.93!) USER MOD Set 2.5: A 67 CYS SG : rot -59:sc= 0.034 USER MOD Single : A 26 SER OG : rot 34:sc= 0.0312 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= -2.55 K(o=-2.5,f=-0.87) USER MOD Single : A 59 ASN : amide:sc= -0.435 K(o=-0.44,f=-1.6) 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 USER MOD Single : A 71 GLN : amide:sc= -2.91 K(o=-2.9,f=-4!) USER MOD Single : A 73 MET CE :methyl 180:sc= -2.15 (180deg=-2.15) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.751 K(o=-0.75,f=0.6) USER MOD ----------------------------------------------------------------- ATOM 366 N SER A 26 4.542 -12.272 -0.733 1.00 15.05 N ATOM 367 CA SER A 26 3.292 -11.740 -1.260 1.00 15.55 C ATOM 368 C SER A 26 3.300 -10.214 -1.240 1.00 71.45 C ATOM 369 O SER A 26 3.752 -9.597 -0.277 1.00 53.03 O ATOM 370 CB SER A 26 2.106 -12.265 -0.447 1.00 4.10 C ATOM 371 OG SER A 26 2.000 -13.674 -0.552 1.00 20.04 O ATOM 0 HA SER A 26 3.191 -12.073 -2.293 1.00 15.55 H new ATOM 0 HB2 SER A 26 2.225 -11.983 0.599 1.00 4.10 H new ATOM 0 HB3 SER A 26 1.185 -11.801 -0.800 1.00 4.10 H new ATOM 0 HG SER A 26 2.896 -14.065 -0.626 1.00 20.04 H new ATOM 377 N ALA A 27 2.797 -9.613 -2.313 1.00 63.34 N ATOM 378 CA ALA A 27 2.744 -8.160 -2.420 1.00 43.01 C ATOM 379 C ALA A 27 1.305 -7.672 -2.557 1.00 32.32 C ATOM 380 O ALA A 27 0.402 -8.451 -2.862 1.00 2.13 O ATOM 381 CB ALA A 27 3.578 -7.687 -3.602 1.00 34.24 C ATOM 0 H ALA A 27 2.420 -10.110 -3.120 1.00 63.34 H new ATOM 0 HA ALA A 27 3.158 -7.738 -1.505 1.00 43.01 H new ATOM 0 HB1 ALA A 27 3.529 -6.600 -3.670 1.00 34.24 H new ATOM 0 HB2 ALA A 27 4.614 -7.996 -3.463 1.00 34.24 H new ATOM 0 HB3 ALA A 27 3.189 -8.126 -4.521 1.00 34.24 H new ATOM 387 N TRP A 28 1.101 -6.380 -2.329 1.00 53.32 N ATOM 388 CA TRP A 28 -0.229 -5.788 -2.426 1.00 31.41 C ATOM 389 C TRP A 28 -0.372 -4.977 -3.709 1.00 61.13 C ATOM 390 O TRP A 28 0.495 -4.171 -4.045 1.00 2.22 O ATOM 391 CB TRP A 28 -0.504 -4.898 -1.213 1.00 20.25 C ATOM 392 CG TRP A 28 -1.140 -5.631 -0.071 1.00 31.15 C ATOM 393 CD1 TRP A 28 -0.625 -5.800 1.183 1.00 41.10 C ATOM 394 CD2 TRP A 28 -2.409 -6.295 -0.078 1.00 24.15 C ATOM 395 NE1 TRP A 28 -1.497 -6.529 1.956 1.00 4.30 N ATOM 396 CE2 TRP A 28 -2.600 -6.844 1.205 1.00 21.13 C ATOM 397 CE3 TRP A 28 -3.402 -6.477 -1.044 1.00 11.42 C ATOM 398 CZ2 TRP A 28 -3.742 -7.562 1.544 1.00 51.15 C ATOM 399 CZ3 TRP A 28 -4.536 -7.190 -0.705 1.00 73.52 C ATOM 400 CH2 TRP A 28 -4.699 -7.725 0.580 1.00 71.03 C ATOM 0 H TRP A 28 1.838 -5.722 -2.076 1.00 53.32 H new ATOM 0 HA TRP A 28 -0.958 -6.598 -2.447 1.00 31.41 H new ATOM 0 HB2 TRP A 28 0.434 -4.457 -0.875 1.00 20.25 H new ATOM 0 HB3 TRP A 28 -1.153 -4.076 -1.514 1.00 20.25 H new ATOM 0 HD1 TRP A 28 0.328 -5.417 1.518 1.00 41.10 H new ATOM 0 HE1 TRP A 28 -1.348 -6.793 2.930 1.00 4.30 H new ATOM 0 HE3 TRP A 28 -3.285 -6.068 -2.037 1.00 11.42 H new ATOM 0 HZ2 TRP A 28 -3.869 -7.976 2.533 1.00 51.15 H new ATOM 0 HZ3 TRP A 28 -5.310 -7.338 -1.443 1.00 73.52 H new ATOM 0 HH2 TRP A 28 -5.598 -8.277 0.814 1.00 71.03 H new ATOM 411 N VAL A 29 -1.471 -5.196 -4.423 1.00 53.41 N ATOM 412 CA VAL A 29 -1.728 -4.484 -5.669 1.00 41.41 C ATOM 413 C VAL A 29 -3.145 -3.921 -5.699 1.00 4.11 C ATOM 414 O VAL A 29 -4.089 -4.566 -5.243 1.00 42.53 O ATOM 415 CB VAL A 29 -1.526 -5.400 -6.891 1.00 24.25 C ATOM 416 CG1 VAL A 29 -0.045 -5.664 -7.122 1.00 1.44 C ATOM 417 CG2 VAL A 29 -2.286 -6.705 -6.710 1.00 11.03 C ATOM 0 H VAL A 29 -2.198 -5.861 -4.160 1.00 53.41 H new ATOM 0 HA VAL A 29 -1.013 -3.663 -5.717 1.00 41.41 H new ATOM 0 HB VAL A 29 -1.922 -4.894 -7.771 1.00 24.25 H new ATOM 0 HG11 VAL A 29 0.078 -6.313 -7.989 1.00 1.44 H new ATOM 0 HG12 VAL A 29 0.470 -4.720 -7.299 1.00 1.44 H new ATOM 0 HG13 VAL A 29 0.380 -6.149 -6.243 1.00 1.44 H new ATOM 0 HG21 VAL A 29 -2.132 -7.340 -7.583 1.00 11.03 H new ATOM 0 HG22 VAL A 29 -1.922 -7.218 -5.820 1.00 11.03 H new ATOM 0 HG23 VAL A 29 -3.350 -6.494 -6.598 1.00 11.03 H new ATOM 427 N ARG A 30 -3.285 -2.715 -6.240 1.00 31.31 N ATOM 428 CA ARG A 30 -4.587 -2.064 -6.328 1.00 21.14 C ATOM 429 C ARG A 30 -5.087 -2.044 -7.769 1.00 62.23 C ATOM 430 O ARG A 30 -4.309 -1.858 -8.706 1.00 43.52 O ATOM 431 CB ARG A 30 -4.504 -0.636 -5.786 1.00 72.31 C ATOM 432 CG ARG A 30 -5.855 0.053 -5.677 1.00 22.31 C ATOM 433 CD ARG A 30 -5.804 1.469 -6.228 1.00 21.12 C ATOM 434 NE ARG A 30 -5.580 1.488 -7.671 1.00 35.32 N ATOM 435 CZ ARG A 30 -5.109 2.542 -8.327 1.00 43.31 C ATOM 436 NH1 ARG A 30 -4.815 3.658 -7.674 1.00 41.24 N ATOM 437 NH2 ARG A 30 -4.932 2.482 -9.641 1.00 75.23 N ATOM 0 H ARG A 30 -2.513 -2.169 -6.624 1.00 31.31 H new ATOM 0 HA ARG A 30 -5.293 -2.634 -5.724 1.00 21.14 H new ATOM 0 HB2 ARG A 30 -4.035 -0.656 -4.802 1.00 72.31 H new ATOM 0 HB3 ARG A 30 -3.856 -0.047 -6.435 1.00 72.31 H new ATOM 0 HG2 ARG A 30 -6.604 -0.523 -6.221 1.00 22.31 H new ATOM 0 HG3 ARG A 30 -6.168 0.079 -4.633 1.00 22.31 H new ATOM 0 HD2 ARG A 30 -6.739 1.980 -6.000 1.00 21.12 H new ATOM 0 HD3 ARG A 30 -5.008 2.023 -5.730 1.00 21.12 H new ATOM 0 HE ARG A 30 -5.797 0.646 -8.204 1.00 35.32 H new ATOM 0 HH11 ARG A 30 -4.950 3.709 -6.664 1.00 41.24 H new ATOM 0 HH12 ARG A 30 -4.453 4.466 -8.181 1.00 41.24 H new ATOM 0 HH21 ARG A 30 -5.158 1.626 -10.147 1.00 75.23 H new ATOM 0 HH22 ARG A 30 -4.570 3.292 -10.144 1.00 75.23 H new ATOM 451 N CYS A 31 -6.390 -2.239 -7.941 1.00 1.52 N ATOM 452 CA CYS A 31 -6.995 -2.244 -9.267 1.00 55.22 C ATOM 453 C CYS A 31 -7.143 -0.823 -9.804 1.00 71.52 C ATOM 454 O CYS A 31 -7.496 0.097 -9.066 1.00 62.10 O ATOM 455 CB CYS A 31 -8.363 -2.929 -9.223 1.00 3.30 C ATOM 456 SG CYS A 31 -9.187 -3.049 -10.844 1.00 14.14 S ATOM 0 H CYS A 31 -7.048 -2.396 -7.177 1.00 1.52 H new ATOM 0 HA CYS A 31 -6.338 -2.800 -9.936 1.00 55.22 H new ATOM 0 HB2 CYS A 31 -8.242 -3.932 -8.814 1.00 3.30 H new ATOM 0 HB3 CYS A 31 -9.010 -2.381 -8.538 1.00 3.30 H new ATOM 0 HG CYS A 31 -9.926 -4.118 -10.877 1.00 14.14 H new ATOM 461 N ASP A 32 -6.869 -0.653 -11.092 1.00 42.01 N ATOM 462 CA ASP A 32 -6.972 0.655 -11.730 1.00 75.10 C ATOM 463 C ASP A 32 -8.310 0.807 -12.446 1.00 71.32 C ATOM 464 O ASP A 32 -8.396 1.456 -13.489 1.00 30.31 O ATOM 465 CB ASP A 32 -5.823 0.855 -12.719 1.00 10.02 C ATOM 466 CG ASP A 32 -5.362 2.298 -12.787 1.00 72.21 C ATOM 467 OD1 ASP A 32 -6.198 3.199 -12.565 1.00 54.23 O ATOM 468 OD2 ASP A 32 -4.165 2.527 -13.063 1.00 40.43 O ATOM 0 H ASP A 32 -6.574 -1.404 -11.716 1.00 42.01 H new ATOM 0 HA ASP A 32 -6.909 1.417 -10.953 1.00 75.10 H new ATOM 0 HB2 ASP A 32 -4.984 0.222 -12.430 1.00 10.02 H new ATOM 0 HB3 ASP A 32 -6.140 0.531 -13.710 1.00 10.02 H new ATOM 473 N ASP A 33 -9.350 0.203 -11.882 1.00 33.43 N ATOM 474 CA ASP A 33 -10.684 0.271 -12.467 1.00 33.43 C ATOM 475 C ASP A 33 -11.744 0.431 -11.383 1.00 55.01 C ATOM 476 O ASP A 33 -12.680 1.218 -11.526 1.00 42.24 O ATOM 477 CB ASP A 33 -10.965 -0.986 -13.293 1.00 13.34 C ATOM 478 CG ASP A 33 -12.303 -0.922 -14.005 1.00 22.44 C ATOM 479 OD1 ASP A 33 -13.343 -1.061 -13.328 1.00 31.20 O ATOM 480 OD2 ASP A 33 -12.308 -0.731 -15.239 1.00 54.52 O ATOM 0 H ASP A 33 -9.295 -0.339 -11.020 1.00 33.43 H new ATOM 0 HA ASP A 33 -10.725 1.142 -13.121 1.00 33.43 H new ATOM 0 HB2 ASP A 33 -10.171 -1.120 -14.028 1.00 13.34 H new ATOM 0 HB3 ASP A 33 -10.945 -1.859 -12.640 1.00 13.34 H new ATOM 485 N CYS A 34 -11.594 -0.322 -10.298 1.00 71.45 N ATOM 486 CA CYS A 34 -12.539 -0.267 -9.191 1.00 13.34 C ATOM 487 C CYS A 34 -11.848 0.187 -7.908 1.00 12.44 C ATOM 488 O CYS A 34 -12.503 0.491 -6.911 1.00 71.23 O ATOM 489 CB CYS A 34 -13.187 -1.636 -8.975 1.00 43.23 C ATOM 490 SG CYS A 34 -12.011 -2.955 -8.535 1.00 54.04 S ATOM 0 H CYS A 34 -10.825 -0.978 -10.163 1.00 71.45 H new ATOM 0 HA CYS A 34 -13.313 0.458 -9.444 1.00 13.34 H new ATOM 0 HB2 CYS A 34 -13.934 -1.552 -8.186 1.00 43.23 H new ATOM 0 HB3 CYS A 34 -13.715 -1.923 -9.884 1.00 43.23 H new ATOM 0 HG CYS A 34 -11.023 -2.956 -9.380 1.00 54.04 H new ATOM 495 N PHE A 35 -10.520 0.230 -7.941 1.00 62.00 N ATOM 496 CA PHE A 35 -9.739 0.646 -6.783 1.00 11.04 C ATOM 497 C PHE A 35 -9.964 -0.301 -5.608 1.00 35.54 C ATOM 498 O PHE A 35 -10.600 0.059 -4.617 1.00 23.10 O ATOM 499 CB PHE A 35 -10.108 2.075 -6.378 1.00 52.15 C ATOM 500 CG PHE A 35 -10.023 3.059 -7.510 1.00 10.50 C ATOM 501 CD1 PHE A 35 -8.794 3.516 -7.956 1.00 5.43 C ATOM 502 CD2 PHE A 35 -11.172 3.526 -8.128 1.00 55.01 C ATOM 503 CE1 PHE A 35 -8.713 4.422 -8.997 1.00 3.34 C ATOM 504 CE2 PHE A 35 -11.097 4.431 -9.169 1.00 10.24 C ATOM 505 CZ PHE A 35 -9.865 4.880 -9.605 1.00 70.04 C ATOM 0 H PHE A 35 -9.962 -0.018 -8.758 1.00 62.00 H new ATOM 0 HA PHE A 35 -8.684 0.614 -7.057 1.00 11.04 H new ATOM 0 HB2 PHE A 35 -11.122 2.080 -5.978 1.00 52.15 H new ATOM 0 HB3 PHE A 35 -9.446 2.399 -5.575 1.00 52.15 H new ATOM 0 HD1 PHE A 35 -7.889 3.161 -7.485 1.00 5.43 H new ATOM 0 HD2 PHE A 35 -12.138 3.178 -7.792 1.00 55.01 H new ATOM 0 HE1 PHE A 35 -7.749 4.772 -9.335 1.00 3.34 H new ATOM 0 HE2 PHE A 35 -12.000 4.787 -9.642 1.00 10.24 H new ATOM 0 HZ PHE A 35 -9.803 5.587 -10.419 1.00 70.04 H new ATOM 515 N LYS A 36 -9.436 -1.514 -5.724 1.00 62.40 N ATOM 516 CA LYS A 36 -9.576 -2.515 -4.673 1.00 20.41 C ATOM 517 C LYS A 36 -8.250 -3.222 -4.414 1.00 71.41 C ATOM 518 O LYS A 36 -7.502 -3.519 -5.346 1.00 63.22 O ATOM 519 CB LYS A 36 -10.646 -3.540 -5.055 1.00 50.14 C ATOM 520 CG LYS A 36 -11.556 -3.928 -3.902 1.00 62.23 C ATOM 521 CD LYS A 36 -12.636 -2.885 -3.669 1.00 20.04 C ATOM 522 CE LYS A 36 -13.594 -3.312 -2.566 1.00 62.21 C ATOM 523 NZ LYS A 36 -14.974 -2.809 -2.805 1.00 45.43 N ATOM 0 H LYS A 36 -8.906 -1.829 -6.537 1.00 62.40 H new ATOM 0 HA LYS A 36 -9.880 -2.005 -3.759 1.00 20.41 H new ATOM 0 HB2 LYS A 36 -11.252 -3.135 -5.865 1.00 50.14 H new ATOM 0 HB3 LYS A 36 -10.158 -4.436 -5.439 1.00 50.14 H new ATOM 0 HG2 LYS A 36 -12.019 -4.892 -4.111 1.00 62.23 H new ATOM 0 HG3 LYS A 36 -10.964 -4.049 -2.995 1.00 62.23 H new ATOM 0 HD2 LYS A 36 -12.174 -1.934 -3.403 1.00 20.04 H new ATOM 0 HD3 LYS A 36 -13.192 -2.722 -4.592 1.00 20.04 H new ATOM 0 HE2 LYS A 36 -13.610 -4.400 -2.500 1.00 62.21 H new ATOM 0 HE3 LYS A 36 -13.233 -2.940 -1.607 1.00 62.21 H new ATOM 0 HZ1 LYS A 36 -15.596 -3.121 -2.032 1.00 45.43 H new ATOM 0 HZ2 LYS A 36 -14.963 -1.770 -2.843 1.00 45.43 H new ATOM 0 HZ3 LYS A 36 -15.329 -3.184 -3.708 1.00 45.43 H new ATOM 537 N TRP A 37 -7.965 -3.491 -3.145 1.00 45.34 N ATOM 538 CA TRP A 37 -6.729 -4.165 -2.765 1.00 53.31 C ATOM 539 C TRP A 37 -6.768 -5.638 -3.162 1.00 3.35 C ATOM 540 O TRP A 37 -7.805 -6.291 -3.055 1.00 51.42 O ATOM 541 CB TRP A 37 -6.496 -4.036 -1.258 1.00 62.15 C ATOM 542 CG TRP A 37 -5.718 -2.812 -0.881 1.00 12.01 C ATOM 543 CD1 TRP A 37 -6.057 -1.884 0.062 1.00 42.45 C ATOM 544 CD2 TRP A 37 -4.471 -2.383 -1.438 1.00 61.04 C ATOM 545 NE1 TRP A 37 -5.097 -0.904 0.123 1.00 35.04 N ATOM 546 CE2 TRP A 37 -4.113 -1.187 -0.786 1.00 70.22 C ATOM 547 CE3 TRP A 37 -3.621 -2.894 -2.423 1.00 53.14 C ATOM 548 CZ2 TRP A 37 -2.942 -0.497 -1.089 1.00 3.50 C ATOM 549 CZ3 TRP A 37 -2.461 -2.207 -2.724 1.00 13.12 C ATOM 550 CH2 TRP A 37 -2.130 -1.020 -2.058 1.00 12.14 C ATOM 0 H TRP A 37 -8.573 -3.253 -2.362 1.00 45.34 H new ATOM 0 HA TRP A 37 -5.905 -3.687 -3.295 1.00 53.31 H new ATOM 0 HB2 TRP A 37 -7.460 -4.017 -0.749 1.00 62.15 H new ATOM 0 HB3 TRP A 37 -5.965 -4.919 -0.903 1.00 62.15 H new ATOM 0 HD1 TRP A 37 -6.949 -1.916 0.670 1.00 42.45 H new ATOM 0 HE1 TRP A 37 -5.114 -0.096 0.745 1.00 35.04 H new ATOM 0 HE3 TRP A 37 -3.867 -3.810 -2.940 1.00 53.14 H new ATOM 0 HZ2 TRP A 37 -2.684 0.418 -0.577 1.00 3.50 H new ATOM 0 HZ3 TRP A 37 -1.798 -2.591 -3.485 1.00 13.12 H new ATOM 0 HH2 TRP A 37 -1.215 -0.507 -2.315 1.00 12.14 H new ATOM 561 N ARG A 38 -5.631 -6.152 -3.619 1.00 4.22 N ATOM 562 CA ARG A 38 -5.537 -7.547 -4.033 1.00 72.11 C ATOM 563 C ARG A 38 -4.166 -8.124 -3.689 1.00 1.32 C ATOM 564 O ARG A 38 -3.136 -7.582 -4.089 1.00 71.32 O ATOM 565 CB ARG A 38 -5.793 -7.674 -5.535 1.00 65.42 C ATOM 566 CG ARG A 38 -6.757 -8.793 -5.897 1.00 21.22 C ATOM 567 CD ARG A 38 -8.184 -8.281 -6.015 1.00 73.35 C ATOM 568 NE ARG A 38 -9.132 -9.361 -6.279 1.00 25.34 N ATOM 569 CZ ARG A 38 -10.450 -9.195 -6.290 1.00 71.14 C ATOM 570 NH1 ARG A 38 -10.973 -8.001 -6.053 1.00 42.51 N ATOM 571 NH2 ARG A 38 -11.247 -10.228 -6.538 1.00 5.44 N ATOM 0 H ARG A 38 -4.763 -5.624 -3.712 1.00 4.22 H new ATOM 0 HA ARG A 38 -6.297 -8.112 -3.493 1.00 72.11 H new ATOM 0 HB2 ARG A 38 -6.189 -6.730 -5.908 1.00 65.42 H new ATOM 0 HB3 ARG A 38 -4.844 -7.845 -6.043 1.00 65.42 H new ATOM 0 HG2 ARG A 38 -6.453 -9.246 -6.840 1.00 21.22 H new ATOM 0 HG3 ARG A 38 -6.711 -9.574 -5.138 1.00 21.22 H new ATOM 0 HD2 ARG A 38 -8.463 -7.770 -5.093 1.00 73.35 H new ATOM 0 HD3 ARG A 38 -8.240 -7.545 -6.817 1.00 73.35 H new ATOM 0 HE ARG A 38 -8.762 -10.293 -6.465 1.00 25.34 H new ATOM 0 HH11 ARG A 38 -10.363 -7.206 -5.861 1.00 42.51 H new ATOM 0 HH12 ARG A 38 -11.985 -7.877 -6.062 1.00 42.51 H new ATOM 0 HH21 ARG A 38 -10.847 -11.149 -6.720 1.00 5.44 H new ATOM 0 HH22 ARG A 38 -12.259 -10.101 -6.546 1.00 5.44 H new ATOM 585 N ARG A 39 -4.163 -9.226 -2.946 1.00 12.23 N ATOM 586 CA ARG A 39 -2.920 -9.875 -2.547 1.00 42.11 C ATOM 587 C ARG A 39 -2.440 -10.839 -3.627 1.00 41.24 C ATOM 588 O ARG A 39 -3.167 -11.749 -4.028 1.00 62.35 O ATOM 589 CB ARG A 39 -3.113 -10.625 -1.227 1.00 4.04 C ATOM 590 CG ARG A 39 -1.889 -10.593 -0.326 1.00 75.21 C ATOM 591 CD ARG A 39 -1.698 -11.917 0.398 1.00 14.23 C ATOM 592 NE ARG A 39 -0.631 -11.847 1.393 1.00 53.03 N ATOM 593 CZ ARG A 39 -0.001 -12.915 1.872 1.00 12.21 C ATOM 594 NH1 ARG A 39 -0.330 -14.128 1.449 1.00 42.43 N ATOM 595 NH2 ARG A 39 0.959 -12.770 2.776 1.00 42.00 N ATOM 0 H ARG A 39 -5.007 -9.688 -2.608 1.00 12.23 H new ATOM 0 HA ARG A 39 -2.163 -9.103 -2.411 1.00 42.11 H new ATOM 0 HB2 ARG A 39 -3.959 -10.192 -0.693 1.00 4.04 H new ATOM 0 HB3 ARG A 39 -3.369 -11.662 -1.442 1.00 4.04 H new ATOM 0 HG2 ARG A 39 -1.003 -10.371 -0.921 1.00 75.21 H new ATOM 0 HG3 ARG A 39 -1.993 -9.790 0.403 1.00 75.21 H new ATOM 0 HD2 ARG A 39 -2.630 -12.201 0.886 1.00 14.23 H new ATOM 0 HD3 ARG A 39 -1.467 -12.697 -0.327 1.00 14.23 H new ATOM 0 HE ARG A 39 -0.354 -10.928 1.739 1.00 53.03 H new ATOM 0 HH11 ARG A 39 -1.068 -14.243 0.754 1.00 42.43 H new ATOM 0 HH12 ARG A 39 0.155 -14.946 1.818 1.00 42.43 H new ATOM 0 HH21 ARG A 39 1.214 -11.838 3.104 1.00 42.00 H new ATOM 0 HH22 ARG A 39 1.442 -13.590 3.143 1.00 42.00 H new ATOM 609 N ILE A 40 -1.213 -10.634 -4.093 1.00 62.32 N ATOM 610 CA ILE A 40 -0.636 -11.485 -5.126 1.00 42.44 C ATOM 611 C ILE A 40 0.738 -11.998 -4.712 1.00 31.24 C ATOM 612 O ILE A 40 1.451 -11.372 -3.926 1.00 64.04 O ATOM 613 CB ILE A 40 -0.509 -10.737 -6.467 1.00 55.34 C ATOM 614 CG1 ILE A 40 0.639 -9.728 -6.406 1.00 62.43 C ATOM 615 CG2 ILE A 40 -1.818 -10.040 -6.810 1.00 33.02 C ATOM 616 CD1 ILE A 40 0.747 -8.862 -7.641 1.00 65.24 C ATOM 0 H ILE A 40 -0.599 -9.886 -3.771 1.00 62.32 H new ATOM 0 HA ILE A 40 -1.314 -12.329 -5.253 1.00 42.44 H new ATOM 0 HB ILE A 40 -0.289 -11.461 -7.252 1.00 55.34 H new ATOM 0 HG12 ILE A 40 0.504 -9.088 -5.534 1.00 62.43 H new ATOM 0 HG13 ILE A 40 1.577 -10.265 -6.265 1.00 62.43 H new ATOM 0 HG21 ILE A 40 -1.713 -9.516 -7.760 1.00 33.02 H new ATOM 0 HG22 ILE A 40 -2.614 -10.780 -6.890 1.00 33.02 H new ATOM 0 HG23 ILE A 40 -2.065 -9.324 -6.026 1.00 33.02 H new ATOM 0 HD11 ILE A 40 1.582 -8.170 -7.529 1.00 65.24 H new ATOM 0 HD12 ILE A 40 0.913 -9.493 -8.514 1.00 65.24 H new ATOM 0 HD13 ILE A 40 -0.176 -8.298 -7.772 1.00 65.24 H new ATOM 628 N PRO A 41 1.123 -13.164 -5.252 1.00 12.21 N ATOM 629 CA PRO A 41 2.416 -13.786 -4.954 1.00 71.00 C ATOM 630 C PRO A 41 3.584 -13.011 -5.554 1.00 30.34 C ATOM 631 O PRO A 41 3.419 -12.276 -6.527 1.00 42.14 O ATOM 632 CB PRO A 41 2.303 -15.168 -5.603 1.00 54.12 C ATOM 633 CG PRO A 41 1.301 -14.995 -6.691 1.00 2.13 C ATOM 634 CD PRO A 41 0.324 -13.965 -6.196 1.00 31.44 C ATOM 0 HA PRO A 41 2.615 -13.818 -3.883 1.00 71.00 H new ATOM 0 HB2 PRO A 41 3.263 -15.499 -5.998 1.00 54.12 H new ATOM 0 HB3 PRO A 41 1.979 -15.919 -4.882 1.00 54.12 H new ATOM 0 HG2 PRO A 41 1.780 -14.667 -7.614 1.00 2.13 H new ATOM 0 HG3 PRO A 41 0.797 -15.936 -6.911 1.00 2.13 H new ATOM 0 HD2 PRO A 41 -0.065 -13.355 -7.011 1.00 31.44 H new ATOM 0 HD3 PRO A 41 -0.533 -14.427 -5.706 1.00 31.44 H new ATOM 642 N ALA A 42 4.765 -13.181 -4.968 1.00 10.22 N ATOM 643 CA ALA A 42 5.961 -12.498 -5.446 1.00 71.25 C ATOM 644 C ALA A 42 6.364 -13.003 -6.828 1.00 32.25 C ATOM 645 O ALA A 42 7.199 -12.397 -7.501 1.00 34.30 O ATOM 646 CB ALA A 42 7.104 -12.682 -4.460 1.00 32.14 C ATOM 0 H ALA A 42 4.919 -13.786 -4.161 1.00 10.22 H new ATOM 0 HA ALA A 42 5.735 -11.435 -5.527 1.00 71.25 H new ATOM 0 HB1 ALA A 42 7.990 -12.167 -4.830 1.00 32.14 H new ATOM 0 HB2 ALA A 42 6.820 -12.267 -3.493 1.00 32.14 H new ATOM 0 HB3 ALA A 42 7.322 -13.744 -4.349 1.00 32.14 H new ATOM 652 N SER A 43 5.768 -14.115 -7.244 1.00 33.42 N ATOM 653 CA SER A 43 6.071 -14.705 -8.544 1.00 12.42 C ATOM 654 C SER A 43 5.394 -13.922 -9.664 1.00 43.12 C ATOM 655 O SER A 43 5.961 -13.741 -10.742 1.00 0.25 O ATOM 656 CB SER A 43 5.619 -16.166 -8.582 1.00 35.14 C ATOM 657 OG SER A 43 6.162 -16.837 -9.706 1.00 74.01 O ATOM 0 H SER A 43 5.072 -14.626 -6.701 1.00 33.42 H new ATOM 0 HA SER A 43 7.150 -14.662 -8.694 1.00 12.42 H new ATOM 0 HB2 SER A 43 5.931 -16.671 -7.667 1.00 35.14 H new ATOM 0 HB3 SER A 43 4.531 -16.213 -8.617 1.00 35.14 H new ATOM 0 HG SER A 43 5.860 -17.769 -9.708 1.00 74.01 H new ATOM 663 N VAL A 44 4.175 -13.459 -9.403 1.00 13.50 N ATOM 664 CA VAL A 44 3.419 -12.695 -10.388 1.00 21.32 C ATOM 665 C VAL A 44 3.654 -11.198 -10.219 1.00 55.24 C ATOM 666 O VAL A 44 3.581 -10.435 -11.183 1.00 35.10 O ATOM 667 CB VAL A 44 1.910 -12.982 -10.283 1.00 40.55 C ATOM 668 CG1 VAL A 44 1.337 -12.372 -9.014 1.00 52.43 C ATOM 669 CG2 VAL A 44 1.182 -12.459 -11.513 1.00 55.21 C ATOM 0 H VAL A 44 3.690 -13.600 -8.517 1.00 13.50 H new ATOM 0 HA VAL A 44 3.772 -13.007 -11.371 1.00 21.32 H new ATOM 0 HB VAL A 44 1.765 -14.061 -10.235 1.00 40.55 H new ATOM 0 HG11 VAL A 44 0.270 -12.585 -8.958 1.00 52.43 H new ATOM 0 HG12 VAL A 44 1.839 -12.800 -8.146 1.00 52.43 H new ATOM 0 HG13 VAL A 44 1.491 -11.293 -9.027 1.00 52.43 H new ATOM 0 HG21 VAL A 44 0.117 -12.670 -11.422 1.00 55.21 H new ATOM 0 HG22 VAL A 44 1.333 -11.383 -11.595 1.00 55.21 H new ATOM 0 HG23 VAL A 44 1.575 -12.949 -12.404 1.00 55.21 H new ATOM 679 N VAL A 45 3.934 -10.783 -8.988 1.00 32.33 N ATOM 680 CA VAL A 45 4.182 -9.377 -8.692 1.00 11.20 C ATOM 681 C VAL A 45 5.290 -8.816 -9.576 1.00 55.22 C ATOM 682 O VAL A 45 5.345 -7.614 -9.833 1.00 74.31 O ATOM 683 CB VAL A 45 4.565 -9.173 -7.215 1.00 20.12 C ATOM 684 CG1 VAL A 45 6.056 -9.394 -7.014 1.00 63.33 C ATOM 685 CG2 VAL A 45 4.156 -7.786 -6.745 1.00 3.12 C ATOM 0 H VAL A 45 3.995 -11.401 -8.179 1.00 32.33 H new ATOM 0 HA VAL A 45 3.254 -8.843 -8.895 1.00 11.20 H new ATOM 0 HB VAL A 45 4.029 -9.908 -6.615 1.00 20.12 H new ATOM 0 HG11 VAL A 45 6.308 -9.245 -5.964 1.00 63.33 H new ATOM 0 HG12 VAL A 45 6.316 -10.411 -7.309 1.00 63.33 H new ATOM 0 HG13 VAL A 45 6.615 -8.685 -7.625 1.00 63.33 H new ATOM 0 HG21 VAL A 45 4.434 -7.660 -5.699 1.00 3.12 H new ATOM 0 HG22 VAL A 45 4.663 -7.033 -7.349 1.00 3.12 H new ATOM 0 HG23 VAL A 45 3.077 -7.670 -6.850 1.00 3.12 H new ATOM 695 N GLY A 46 6.173 -9.696 -10.040 1.00 54.23 N ATOM 696 CA GLY A 46 7.268 -9.270 -10.890 1.00 44.04 C ATOM 697 C GLY A 46 6.994 -9.524 -12.358 1.00 65.53 C ATOM 698 O GLY A 46 7.922 -9.611 -13.164 1.00 45.34 O ATOM 0 H GLY A 46 6.149 -10.696 -9.842 1.00 54.23 H new ATOM 0 HA2 GLY A 46 7.451 -8.206 -10.736 1.00 44.04 H new ATOM 0 HA3 GLY A 46 8.177 -9.795 -10.597 1.00 44.04 H new ATOM 702 N SER A 47 5.718 -9.646 -12.709 1.00 61.11 N ATOM 703 CA SER A 47 5.326 -9.899 -14.091 1.00 13.22 C ATOM 704 C SER A 47 4.160 -9.001 -14.496 1.00 63.40 C ATOM 705 O SER A 47 4.126 -8.478 -15.611 1.00 50.45 O ATOM 706 CB SER A 47 4.940 -11.368 -14.273 1.00 50.03 C ATOM 707 OG SER A 47 5.869 -12.223 -13.630 1.00 43.04 O ATOM 0 H SER A 47 4.938 -9.574 -12.056 1.00 61.11 H new ATOM 0 HA SER A 47 6.178 -9.673 -14.733 1.00 13.22 H new ATOM 0 HB2 SER A 47 3.943 -11.538 -13.867 1.00 50.03 H new ATOM 0 HB3 SER A 47 4.896 -11.607 -15.336 1.00 50.03 H new ATOM 0 HG SER A 47 5.599 -13.156 -13.760 1.00 43.04 H new ATOM 713 N ILE A 48 3.209 -8.829 -13.586 1.00 14.13 N ATOM 714 CA ILE A 48 2.043 -7.994 -13.847 1.00 3.14 C ATOM 715 C ILE A 48 2.428 -6.520 -13.920 1.00 1.33 C ATOM 716 O ILE A 48 1.678 -5.698 -14.449 1.00 53.11 O ATOM 717 CB ILE A 48 0.964 -8.178 -12.764 1.00 31.41 C ATOM 718 CG1 ILE A 48 1.523 -7.809 -11.388 1.00 3.53 C ATOM 719 CG2 ILE A 48 0.451 -9.611 -12.766 1.00 1.22 C ATOM 720 CD1 ILE A 48 1.281 -6.366 -11.005 1.00 44.53 C ATOM 0 H ILE A 48 3.222 -9.257 -12.660 1.00 14.13 H new ATOM 0 HA ILE A 48 1.638 -8.310 -14.808 1.00 3.14 H new ATOM 0 HB ILE A 48 0.130 -7.513 -12.987 1.00 31.41 H new ATOM 0 HG12 ILE A 48 1.072 -8.457 -10.636 1.00 3.53 H new ATOM 0 HG13 ILE A 48 2.595 -8.005 -11.376 1.00 3.53 H new ATOM 0 HG21 ILE A 48 -0.311 -9.726 -11.995 1.00 1.22 H new ATOM 0 HG22 ILE A 48 0.020 -9.842 -13.740 1.00 1.22 H new ATOM 0 HG23 ILE A 48 1.277 -10.293 -12.564 1.00 1.22 H new ATOM 0 HD11 ILE A 48 1.704 -6.176 -10.019 1.00 44.53 H new ATOM 0 HD12 ILE A 48 1.756 -5.711 -11.736 1.00 44.53 H new ATOM 0 HD13 ILE A 48 0.209 -6.170 -10.984 1.00 44.53 H new ATOM 805 N TRP A 54 -2.377 -2.611 -12.822 1.00 31.14 N ATOM 806 CA TRP A 54 -2.906 -3.926 -12.476 1.00 45.51 C ATOM 807 C TRP A 54 -4.416 -3.868 -12.271 1.00 43.24 C ATOM 808 O TRP A 54 -4.947 -2.871 -11.781 1.00 5.22 O ATOM 809 CB TRP A 54 -2.227 -4.454 -11.211 1.00 51.12 C ATOM 810 CG TRP A 54 -2.715 -5.810 -10.799 1.00 12.22 C ATOM 811 CD1 TRP A 54 -2.093 -7.005 -11.015 1.00 73.33 C ATOM 812 CD2 TRP A 54 -3.929 -6.108 -10.098 1.00 65.52 C ATOM 813 NE1 TRP A 54 -2.846 -8.029 -10.493 1.00 33.32 N ATOM 814 CE2 TRP A 54 -3.977 -7.505 -9.924 1.00 62.10 C ATOM 815 CE3 TRP A 54 -4.978 -5.330 -9.601 1.00 62.44 C ATOM 816 CZ2 TRP A 54 -5.034 -8.138 -9.275 1.00 20.55 C ATOM 817 CZ3 TRP A 54 -6.026 -5.960 -8.957 1.00 73.41 C ATOM 818 CH2 TRP A 54 -6.047 -7.352 -8.798 1.00 63.41 C ATOM 0 HA TRP A 54 -2.696 -4.604 -13.303 1.00 45.51 H new ATOM 0 HB2 TRP A 54 -1.150 -4.497 -11.376 1.00 51.12 H new ATOM 0 HB3 TRP A 54 -2.397 -3.751 -10.395 1.00 51.12 H new ATOM 0 HD1 TRP A 54 -1.147 -7.128 -11.522 1.00 73.33 H new ATOM 0 HE1 TRP A 54 -2.602 -9.019 -10.524 1.00 33.32 H new ATOM 0 HE3 TRP A 54 -4.970 -4.256 -9.718 1.00 62.44 H new ATOM 0 HZ2 TRP A 54 -5.053 -9.211 -9.153 1.00 20.55 H new ATOM 0 HZ3 TRP A 54 -6.843 -5.369 -8.570 1.00 73.41 H new ATOM 0 HH2 TRP A 54 -6.880 -7.814 -8.289 1.00 63.41 H new ATOM 829 N ILE A 55 -5.102 -4.941 -12.650 1.00 21.24 N ATOM 830 CA ILE A 55 -6.550 -5.012 -12.506 1.00 32.13 C ATOM 831 C ILE A 55 -6.987 -6.382 -12.000 1.00 21.34 C ATOM 832 O ILE A 55 -6.211 -7.339 -12.020 1.00 51.22 O ATOM 833 CB ILE A 55 -7.263 -4.719 -13.840 1.00 32.15 C ATOM 834 CG1 ILE A 55 -6.552 -5.433 -14.990 1.00 4.11 C ATOM 835 CG2 ILE A 55 -7.318 -3.220 -14.092 1.00 41.20 C ATOM 836 CD1 ILE A 55 -7.144 -5.127 -16.348 1.00 61.22 C ATOM 0 H ILE A 55 -4.678 -5.773 -13.059 1.00 21.24 H new ATOM 0 HA ILE A 55 -6.832 -4.252 -11.777 1.00 32.13 H new ATOM 0 HB ILE A 55 -8.284 -5.095 -13.780 1.00 32.15 H new ATOM 0 HG12 ILE A 55 -5.500 -5.149 -14.989 1.00 4.11 H new ATOM 0 HG13 ILE A 55 -6.592 -6.509 -14.819 1.00 4.11 H new ATOM 0 HG21 ILE A 55 -7.824 -3.028 -15.038 1.00 41.20 H new ATOM 0 HG22 ILE A 55 -7.864 -2.735 -13.283 1.00 41.20 H new ATOM 0 HG23 ILE A 55 -6.305 -2.821 -14.136 1.00 41.20 H new ATOM 0 HD11 ILE A 55 -6.591 -5.667 -17.116 1.00 61.22 H new ATOM 0 HD12 ILE A 55 -8.189 -5.437 -16.368 1.00 61.22 H new ATOM 0 HD13 ILE A 55 -7.080 -4.056 -16.540 1.00 61.22 H new ATOM 848 N CYS A 56 -8.233 -6.471 -11.547 1.00 23.53 N ATOM 849 CA CYS A 56 -8.774 -7.724 -11.036 1.00 42.12 C ATOM 850 C CYS A 56 -8.671 -8.829 -12.084 1.00 24.40 C ATOM 851 O CYS A 56 -8.169 -9.917 -11.806 1.00 60.35 O ATOM 852 CB CYS A 56 -10.234 -7.541 -10.616 1.00 4.14 C ATOM 853 SG CYS A 56 -10.504 -6.163 -9.456 1.00 14.41 S ATOM 0 H CYS A 56 -8.887 -5.689 -11.524 1.00 23.53 H new ATOM 0 HA CYS A 56 -8.186 -8.015 -10.166 1.00 42.12 H new ATOM 0 HB2 CYS A 56 -10.840 -7.376 -11.507 1.00 4.14 H new ATOM 0 HB3 CYS A 56 -10.588 -8.464 -10.156 1.00 4.14 H new ATOM 0 HG CYS A 56 -11.250 -5.260 -10.021 1.00 14.41 H new ATOM 858 N MET A 57 -9.148 -8.539 -13.291 1.00 1.02 N ATOM 859 CA MET A 57 -9.107 -9.507 -14.381 1.00 41.42 C ATOM 860 C MET A 57 -7.673 -9.932 -14.677 1.00 60.13 C ATOM 861 O MET A 57 -7.438 -10.983 -15.273 1.00 1.24 O ATOM 862 CB MET A 57 -9.747 -8.917 -15.639 1.00 2.44 C ATOM 863 CG MET A 57 -9.144 -7.586 -16.060 1.00 3.14 C ATOM 864 SD MET A 57 -10.397 -6.346 -16.442 1.00 21.24 S ATOM 865 CE MET A 57 -10.911 -5.865 -14.795 1.00 44.23 C ATOM 0 H MET A 57 -9.567 -7.642 -13.538 1.00 1.02 H new ATOM 0 HA MET A 57 -9.671 -10.387 -14.074 1.00 41.42 H new ATOM 0 HB2 MET A 57 -9.643 -9.629 -16.458 1.00 2.44 H new ATOM 0 HB3 MET A 57 -10.815 -8.784 -15.466 1.00 2.44 H new ATOM 0 HG2 MET A 57 -8.501 -7.214 -15.262 1.00 3.14 H new ATOM 0 HG3 MET A 57 -8.511 -7.739 -16.934 1.00 3.14 H new ATOM 0 HE1 MET A 57 -11.334 -4.861 -14.825 1.00 44.23 H new ATOM 0 HE2 MET A 57 -11.662 -6.565 -14.429 1.00 44.23 H new ATOM 0 HE3 MET A 57 -10.050 -5.876 -14.127 1.00 44.23 H new ATOM 875 N ASN A 58 -6.717 -9.109 -14.258 1.00 30.21 N ATOM 876 CA ASN A 58 -5.305 -9.400 -14.480 1.00 53.33 C ATOM 877 C ASN A 58 -4.753 -10.289 -13.369 1.00 5.31 C ATOM 878 O ASN A 58 -3.631 -10.788 -13.460 1.00 40.55 O ATOM 879 CB ASN A 58 -4.501 -8.101 -14.557 1.00 73.24 C ATOM 880 CG ASN A 58 -4.332 -7.609 -15.981 1.00 22.32 C ATOM 881 OD1 ASN A 58 -3.242 -7.202 -16.383 1.00 65.34 O ATOM 882 ND2 ASN A 58 -5.413 -7.645 -16.751 1.00 1.45 N ATOM 0 H ASN A 58 -6.894 -8.235 -13.763 1.00 30.21 H new ATOM 0 HA ASN A 58 -5.213 -9.932 -15.427 1.00 53.33 H new ATOM 0 HB2 ASN A 58 -5.000 -7.332 -13.967 1.00 73.24 H new ATOM 0 HB3 ASN A 58 -3.519 -8.258 -14.111 1.00 73.24 H new ATOM 0 HD21 ASN A 58 -5.361 -7.327 -17.719 1.00 1.45 H new ATOM 0 HD22 ASN A 58 -6.296 -7.991 -16.375 1.00 1.45 H new ATOM 889 N ASN A 59 -5.548 -10.482 -12.323 1.00 55.24 N ATOM 890 CA ASN A 59 -5.139 -11.311 -11.195 1.00 73.11 C ATOM 891 C ASN A 59 -4.796 -12.725 -11.654 1.00 23.53 C ATOM 892 O ASN A 59 -5.460 -13.283 -12.526 1.00 74.23 O ATOM 893 CB ASN A 59 -6.248 -11.361 -10.142 1.00 1.25 C ATOM 894 CG ASN A 59 -5.773 -11.951 -8.829 1.00 32.41 C ATOM 895 OD1 ASN A 59 -4.579 -11.942 -8.527 1.00 63.44 O ATOM 896 ND2 ASN A 59 -6.708 -12.468 -8.040 1.00 11.44 N ATOM 0 H ASN A 59 -6.479 -10.076 -12.232 1.00 55.24 H new ATOM 0 HA ASN A 59 -4.248 -10.864 -10.754 1.00 73.11 H new ATOM 0 HB2 ASN A 59 -6.626 -10.353 -9.969 1.00 1.25 H new ATOM 0 HB3 ASN A 59 -7.080 -11.953 -10.523 1.00 1.25 H new ATOM 0 HD21 ASN A 59 -6.448 -12.879 -7.143 1.00 11.44 H new ATOM 0 HD22 ASN A 59 -7.686 -12.454 -8.331 1.00 11.44 H new ATOM 903 N SER A 60 -3.752 -13.297 -11.061 1.00 40.50 N ATOM 904 CA SER A 60 -3.318 -14.644 -11.412 1.00 12.03 C ATOM 905 C SER A 60 -4.404 -15.666 -11.093 1.00 44.54 C ATOM 906 O SER A 60 -4.474 -16.728 -11.711 1.00 61.44 O ATOM 907 CB SER A 60 -2.032 -14.999 -10.662 1.00 34.32 C ATOM 908 OG SER A 60 -1.096 -15.623 -11.523 1.00 62.44 O ATOM 0 H SER A 60 -3.192 -12.849 -10.336 1.00 40.50 H new ATOM 0 HA SER A 60 -3.125 -14.669 -12.484 1.00 12.03 H new ATOM 0 HB2 SER A 60 -1.594 -14.096 -10.237 1.00 34.32 H new ATOM 0 HB3 SER A 60 -2.264 -15.663 -9.829 1.00 34.32 H new ATOM 0 HG SER A 60 -0.283 -15.838 -11.021 1.00 62.44 H new ATOM 914 N ASP A 61 -5.252 -15.336 -10.125 1.00 12.13 N ATOM 915 CA ASP A 61 -6.338 -16.223 -9.724 1.00 12.24 C ATOM 916 C ASP A 61 -7.399 -16.311 -10.816 1.00 11.52 C ATOM 917 O ASP A 61 -7.196 -15.839 -11.934 1.00 63.31 O ATOM 918 CB ASP A 61 -6.969 -15.733 -8.419 1.00 72.35 C ATOM 919 CG ASP A 61 -7.083 -16.834 -7.382 1.00 43.42 C ATOM 920 OD1 ASP A 61 -7.269 -18.004 -7.777 1.00 22.04 O ATOM 921 OD2 ASP A 61 -6.987 -16.524 -6.177 1.00 24.34 O ATOM 0 H ASP A 61 -5.208 -14.461 -9.603 1.00 12.13 H new ATOM 0 HA ASP A 61 -5.923 -17.218 -9.566 1.00 12.24 H new ATOM 0 HB2 ASP A 61 -6.371 -14.917 -8.014 1.00 72.35 H new ATOM 0 HB3 ASP A 61 -7.960 -15.330 -8.627 1.00 72.35 H new ATOM 926 N LYS A 62 -8.532 -16.920 -10.484 1.00 53.21 N ATOM 927 CA LYS A 62 -9.627 -17.071 -11.435 1.00 75.42 C ATOM 928 C LYS A 62 -10.953 -16.644 -10.812 1.00 22.42 C ATOM 929 O LYS A 62 -11.662 -15.800 -11.358 1.00 3.12 O ATOM 930 CB LYS A 62 -9.720 -18.523 -11.911 1.00 43.21 C ATOM 931 CG LYS A 62 -8.374 -19.137 -12.254 1.00 41.05 C ATOM 932 CD LYS A 62 -7.800 -19.912 -11.080 1.00 31.45 C ATOM 933 CE LYS A 62 -8.613 -21.163 -10.786 1.00 52.30 C ATOM 934 NZ LYS A 62 -7.744 -22.323 -10.443 1.00 0.34 N ATOM 0 H LYS A 62 -8.716 -17.317 -9.563 1.00 53.21 H new ATOM 0 HA LYS A 62 -9.423 -16.426 -12.290 1.00 75.42 H new ATOM 0 HB2 LYS A 62 -10.196 -19.122 -11.134 1.00 43.21 H new ATOM 0 HB3 LYS A 62 -10.365 -18.568 -12.788 1.00 43.21 H new ATOM 0 HG2 LYS A 62 -8.484 -19.801 -13.111 1.00 41.05 H new ATOM 0 HG3 LYS A 62 -7.678 -18.351 -12.547 1.00 41.05 H new ATOM 0 HD2 LYS A 62 -6.768 -20.190 -11.296 1.00 31.45 H new ATOM 0 HD3 LYS A 62 -7.780 -19.274 -10.196 1.00 31.45 H new ATOM 0 HE2 LYS A 62 -9.297 -20.966 -9.961 1.00 52.30 H new ATOM 0 HE3 LYS A 62 -9.224 -21.411 -11.654 1.00 52.30 H new ATOM 0 HZ1 LYS A 62 -8.337 -23.155 -10.250 1.00 0.34 H new ATOM 0 HZ2 LYS A 62 -7.108 -22.528 -11.240 1.00 0.34 H new ATOM 0 HZ3 LYS A 62 -7.179 -22.096 -9.599 1.00 0.34 H new ATOM 948 N ARG A 63 -11.279 -17.232 -9.666 1.00 34.11 N ATOM 949 CA ARG A 63 -12.519 -16.912 -8.969 1.00 32.44 C ATOM 950 C ARG A 63 -12.483 -15.488 -8.422 1.00 2.21 C ATOM 951 O ARG A 63 -13.524 -14.884 -8.164 1.00 72.13 O ATOM 952 CB ARG A 63 -12.757 -17.902 -7.826 1.00 44.15 C ATOM 953 CG ARG A 63 -13.786 -18.972 -8.154 1.00 22.41 C ATOM 954 CD ARG A 63 -13.328 -19.851 -9.308 1.00 2.45 C ATOM 955 NE ARG A 63 -13.260 -21.260 -8.929 1.00 2.13 N ATOM 956 CZ ARG A 63 -14.328 -22.039 -8.806 1.00 54.45 C ATOM 957 NH1 ARG A 63 -15.540 -21.551 -9.031 1.00 11.34 N ATOM 958 NH2 ARG A 63 -14.186 -23.312 -8.458 1.00 14.35 N ATOM 0 H ARG A 63 -10.702 -17.932 -9.200 1.00 34.11 H new ATOM 0 HA ARG A 63 -13.338 -16.988 -9.684 1.00 32.44 H new ATOM 0 HB2 ARG A 63 -11.813 -18.383 -7.571 1.00 44.15 H new ATOM 0 HB3 ARG A 63 -13.084 -17.353 -6.943 1.00 44.15 H new ATOM 0 HG2 ARG A 63 -13.964 -19.589 -7.273 1.00 22.41 H new ATOM 0 HG3 ARG A 63 -14.735 -18.500 -8.409 1.00 22.41 H new ATOM 0 HD2 ARG A 63 -14.014 -19.734 -10.147 1.00 2.45 H new ATOM 0 HD3 ARG A 63 -12.347 -19.520 -9.649 1.00 2.45 H new ATOM 0 HE ARG A 63 -12.342 -21.667 -8.749 1.00 2.13 H new ATOM 0 HH11 ARG A 63 -15.654 -20.574 -9.300 1.00 11.34 H new ATOM 0 HH12 ARG A 63 -16.358 -22.153 -8.935 1.00 11.34 H new ATOM 0 HH21 ARG A 63 -13.256 -23.693 -8.285 1.00 14.35 H new ATOM 0 HH22 ARG A 63 -15.007 -23.910 -8.364 1.00 14.35 H new ATOM 972 N PHE A 64 -11.277 -14.958 -8.247 1.00 4.53 N ATOM 973 CA PHE A 64 -11.105 -13.604 -7.730 1.00 15.11 C ATOM 974 C PHE A 64 -10.367 -12.727 -8.737 1.00 34.21 C ATOM 975 O PHE A 64 -9.751 -11.726 -8.369 1.00 63.34 O ATOM 976 CB PHE A 64 -10.339 -13.636 -6.405 1.00 31.10 C ATOM 977 CG PHE A 64 -11.224 -13.809 -5.205 1.00 14.13 C ATOM 978 CD1 PHE A 64 -12.095 -14.884 -5.118 1.00 5.22 C ATOM 979 CD2 PHE A 64 -11.186 -12.896 -4.162 1.00 71.11 C ATOM 980 CE1 PHE A 64 -12.911 -15.046 -4.014 1.00 21.23 C ATOM 981 CE2 PHE A 64 -12.000 -13.054 -3.056 1.00 44.10 C ATOM 982 CZ PHE A 64 -12.864 -14.129 -2.983 1.00 13.14 C ATOM 0 H PHE A 64 -10.405 -15.444 -8.455 1.00 4.53 H new ATOM 0 HA PHE A 64 -12.094 -13.177 -7.560 1.00 15.11 H new ATOM 0 HB2 PHE A 64 -9.615 -14.450 -6.433 1.00 31.10 H new ATOM 0 HB3 PHE A 64 -9.774 -12.710 -6.299 1.00 31.10 H new ATOM 0 HD1 PHE A 64 -12.137 -15.604 -5.922 1.00 5.22 H new ATOM 0 HD2 PHE A 64 -10.513 -12.053 -4.214 1.00 71.11 H new ATOM 0 HE1 PHE A 64 -13.584 -15.889 -3.958 1.00 21.23 H new ATOM 0 HE2 PHE A 64 -11.960 -12.337 -2.249 1.00 44.10 H new ATOM 0 HZ PHE A 64 -13.502 -14.252 -2.120 1.00 13.14 H new ATOM 992 N ALA A 65 -10.434 -13.109 -10.007 1.00 74.51 N ATOM 993 CA ALA A 65 -9.774 -12.358 -11.067 1.00 24.52 C ATOM 994 C ALA A 65 -10.792 -11.646 -11.950 1.00 64.22 C ATOM 995 O ALA A 65 -10.974 -12.002 -13.116 1.00 14.23 O ATOM 996 CB ALA A 65 -8.900 -13.282 -11.904 1.00 1.51 C ATOM 0 H ALA A 65 -10.939 -13.935 -10.327 1.00 74.51 H new ATOM 0 HA ALA A 65 -9.142 -11.601 -10.603 1.00 24.52 H new ATOM 0 HB1 ALA A 65 -8.413 -12.707 -12.692 1.00 1.51 H new ATOM 0 HB2 ALA A 65 -8.142 -13.741 -11.269 1.00 1.51 H new ATOM 0 HB3 ALA A 65 -9.518 -14.061 -12.352 1.00 1.51 H new ATOM 1002 N ASP A 66 -11.454 -10.640 -11.390 1.00 10.21 N ATOM 1003 CA ASP A 66 -12.454 -9.877 -12.128 1.00 13.30 C ATOM 1004 C ASP A 66 -13.012 -8.743 -11.272 1.00 65.53 C ATOM 1005 O ASP A 66 -13.195 -8.895 -10.065 1.00 1.11 O ATOM 1006 CB ASP A 66 -13.590 -10.794 -12.585 1.00 62.12 C ATOM 1007 CG ASP A 66 -13.477 -11.170 -14.049 1.00 62.00 C ATOM 1008 OD1 ASP A 66 -13.511 -10.257 -14.900 1.00 44.23 O ATOM 1009 OD2 ASP A 66 -13.354 -12.377 -14.344 1.00 42.12 O ATOM 0 H ASP A 66 -11.316 -10.334 -10.427 1.00 10.21 H new ATOM 0 HA ASP A 66 -11.972 -9.444 -13.004 1.00 13.30 H new ATOM 0 HB2 ASP A 66 -13.588 -11.700 -11.979 1.00 62.12 H new ATOM 0 HB3 ASP A 66 -14.545 -10.298 -12.413 1.00 62.12 H new ATOM 1014 N CYS A 67 -13.279 -7.607 -11.908 1.00 12.44 N ATOM 1015 CA CYS A 67 -13.814 -6.446 -11.207 1.00 55.32 C ATOM 1016 C CYS A 67 -15.192 -6.749 -10.625 1.00 35.32 C ATOM 1017 O CYS A 67 -15.616 -6.129 -9.650 1.00 4.54 O ATOM 1018 CB CYS A 67 -13.902 -5.248 -12.154 1.00 31.15 C ATOM 1019 SG CYS A 67 -12.423 -4.183 -12.144 1.00 11.00 S ATOM 0 H CYS A 67 -13.134 -7.466 -12.908 1.00 12.44 H new ATOM 0 HA CYS A 67 -13.137 -6.205 -10.387 1.00 55.32 H new ATOM 0 HB2 CYS A 67 -14.068 -5.611 -13.168 1.00 31.15 H new ATOM 0 HB3 CYS A 67 -14.771 -4.648 -11.884 1.00 31.15 H new ATOM 0 HG CYS A 67 -12.224 -3.728 -10.943 1.00 11.00 H new ATOM 1024 N SER A 68 -15.886 -7.709 -11.229 1.00 22.41 N ATOM 1025 CA SER A 68 -17.217 -8.093 -10.774 1.00 35.35 C ATOM 1026 C SER A 68 -17.146 -8.792 -9.419 1.00 4.42 C ATOM 1027 O SER A 68 -18.106 -8.774 -8.647 1.00 3.12 O ATOM 1028 CB SER A 68 -17.884 -9.010 -11.799 1.00 74.55 C ATOM 1029 OG SER A 68 -19.183 -8.548 -12.127 1.00 62.41 O ATOM 0 H SER A 68 -15.548 -8.235 -12.035 1.00 22.41 H new ATOM 0 HA SER A 68 -17.813 -7.187 -10.666 1.00 35.35 H new ATOM 0 HB2 SER A 68 -17.273 -9.058 -12.701 1.00 74.55 H new ATOM 0 HB3 SER A 68 -17.945 -10.023 -11.401 1.00 74.55 H new ATOM 0 HG SER A 68 -19.588 -9.150 -12.785 1.00 62.41 H new ATOM 1035 N LYS A 69 -16.003 -9.407 -9.136 1.00 41.21 N ATOM 1036 CA LYS A 69 -15.805 -10.111 -7.874 1.00 64.43 C ATOM 1037 C LYS A 69 -15.747 -9.131 -6.707 1.00 25.21 C ATOM 1038 O LYS A 69 -16.044 -7.946 -6.864 1.00 25.53 O ATOM 1039 CB LYS A 69 -14.518 -10.936 -7.925 1.00 31.53 C ATOM 1040 CG LYS A 69 -14.417 -11.834 -9.147 1.00 3.34 C ATOM 1041 CD LYS A 69 -15.604 -12.777 -9.245 1.00 44.00 C ATOM 1042 CE LYS A 69 -16.511 -12.411 -10.410 1.00 54.25 C ATOM 1043 NZ LYS A 69 -17.489 -13.493 -10.712 1.00 12.32 N ATOM 0 H LYS A 69 -15.199 -9.432 -9.763 1.00 41.21 H new ATOM 0 HA LYS A 69 -16.653 -10.779 -7.722 1.00 64.43 H new ATOM 0 HB2 LYS A 69 -13.663 -10.260 -7.910 1.00 31.53 H new ATOM 0 HB3 LYS A 69 -14.455 -11.551 -7.027 1.00 31.53 H new ATOM 0 HG2 LYS A 69 -14.363 -11.221 -10.047 1.00 3.34 H new ATOM 0 HG3 LYS A 69 -13.494 -12.413 -9.099 1.00 3.34 H new ATOM 0 HD2 LYS A 69 -15.248 -13.800 -9.367 1.00 44.00 H new ATOM 0 HD3 LYS A 69 -16.173 -12.746 -8.316 1.00 44.00 H new ATOM 0 HE2 LYS A 69 -17.047 -11.491 -10.178 1.00 54.25 H new ATOM 0 HE3 LYS A 69 -15.905 -12.212 -11.294 1.00 54.25 H new ATOM 0 HZ1 LYS A 69 -18.089 -13.206 -11.512 1.00 12.32 H new ATOM 0 HZ2 LYS A 69 -16.978 -14.364 -10.958 1.00 12.32 H new ATOM 0 HZ3 LYS A 69 -18.085 -13.666 -9.877 1.00 12.32 H new ATOM 1057 N SER A 70 -15.362 -9.632 -5.538 1.00 51.34 N ATOM 1058 CA SER A 70 -15.268 -8.801 -4.344 1.00 43.51 C ATOM 1059 C SER A 70 -13.827 -8.725 -3.847 1.00 13.32 C ATOM 1060 O SER A 70 -12.916 -9.264 -4.473 1.00 30.23 O ATOM 1061 CB SER A 70 -16.172 -9.351 -3.239 1.00 61.14 C ATOM 1062 OG SER A 70 -17.334 -9.954 -3.785 1.00 1.11 O ATOM 0 H SER A 70 -15.110 -10.610 -5.392 1.00 51.34 H new ATOM 0 HA SER A 70 -15.598 -7.796 -4.605 1.00 43.51 H new ATOM 0 HB2 SER A 70 -15.623 -10.082 -2.646 1.00 61.14 H new ATOM 0 HB3 SER A 70 -16.459 -8.544 -2.564 1.00 61.14 H new ATOM 0 HG SER A 70 -17.895 -10.299 -3.059 1.00 1.11 H new ATOM 1068 N GLN A 71 -13.633 -8.052 -2.717 1.00 2.22 N ATOM 1069 CA GLN A 71 -12.303 -7.905 -2.136 1.00 14.10 C ATOM 1070 C GLN A 71 -11.852 -9.203 -1.474 1.00 52.33 C ATOM 1071 O GLN A 71 -12.659 -10.100 -1.231 1.00 5.35 O ATOM 1072 CB GLN A 71 -12.293 -6.767 -1.114 1.00 14.21 C ATOM 1073 CG GLN A 71 -10.900 -6.260 -0.781 1.00 2.42 C ATOM 1074 CD GLN A 71 -10.907 -4.843 -0.242 1.00 51.21 C ATOM 1075 OE1 GLN A 71 -11.953 -4.195 -0.182 1.00 21.22 O ATOM 1076 NE2 GLN A 71 -9.738 -4.354 0.154 1.00 63.44 N ATOM 0 H GLN A 71 -14.378 -7.601 -2.186 1.00 2.22 H new ATOM 0 HA GLN A 71 -11.607 -7.668 -2.940 1.00 14.10 H new ATOM 0 HB2 GLN A 71 -12.889 -5.940 -1.498 1.00 14.21 H new ATOM 0 HB3 GLN A 71 -12.775 -7.109 -0.198 1.00 14.21 H new ATOM 0 HG2 GLN A 71 -10.443 -6.922 -0.045 1.00 2.42 H new ATOM 0 HG3 GLN A 71 -10.279 -6.301 -1.676 1.00 2.42 H new ATOM 0 HE21 GLN A 71 -8.896 -4.926 0.086 1.00 63.44 H new ATOM 0 HE22 GLN A 71 -9.681 -3.406 0.526 1.00 63.44 H new ATOM 1085 N GLU A 72 -10.557 -9.295 -1.185 1.00 42.44 N ATOM 1086 CA GLU A 72 -10.000 -10.484 -0.552 1.00 42.23 C ATOM 1087 C GLU A 72 -9.923 -10.309 0.962 1.00 63.33 C ATOM 1088 O GLU A 72 -10.139 -11.255 1.718 1.00 72.52 O ATOM 1089 CB GLU A 72 -8.609 -10.783 -1.113 1.00 22.12 C ATOM 1090 CG GLU A 72 -8.527 -10.678 -2.627 1.00 71.24 C ATOM 1091 CD GLU A 72 -7.714 -11.798 -3.246 1.00 74.44 C ATOM 1092 OE1 GLU A 72 -8.268 -12.904 -3.427 1.00 44.23 O ATOM 1093 OE2 GLU A 72 -6.524 -11.572 -3.549 1.00 0.31 O ATOM 0 H GLU A 72 -9.876 -8.561 -1.379 1.00 42.44 H new ATOM 0 HA GLU A 72 -10.660 -11.323 -0.770 1.00 42.23 H new ATOM 0 HB2 GLU A 72 -7.892 -10.092 -0.670 1.00 22.12 H new ATOM 0 HB3 GLU A 72 -8.313 -11.787 -0.810 1.00 22.12 H new ATOM 0 HG2 GLU A 72 -9.534 -10.692 -3.044 1.00 71.24 H new ATOM 0 HG3 GLU A 72 -8.084 -9.720 -2.898 1.00 71.24 H new ATOM 1100 N MET A 73 -9.613 -9.092 1.396 1.00 53.11 N ATOM 1101 CA MET A 73 -9.509 -8.793 2.819 1.00 33.35 C ATOM 1102 C MET A 73 -10.147 -7.445 3.140 1.00 40.22 C ATOM 1103 O MET A 73 -10.416 -6.646 2.243 1.00 54.12 O ATOM 1104 CB MET A 73 -8.042 -8.791 3.255 1.00 23.22 C ATOM 1105 CG MET A 73 -7.450 -10.183 3.401 1.00 60.34 C ATOM 1106 SD MET A 73 -5.647 -10.170 3.452 1.00 42.22 S ATOM 1107 CE MET A 73 -5.350 -8.761 4.517 1.00 21.52 C ATOM 0 H MET A 73 -9.430 -8.298 0.783 1.00 53.11 H new ATOM 0 HA MET A 73 -10.044 -9.568 3.367 1.00 33.35 H new ATOM 0 HB2 MET A 73 -7.456 -8.230 2.527 1.00 23.22 H new ATOM 0 HB3 MET A 73 -7.955 -8.266 4.206 1.00 23.22 H new ATOM 0 HG2 MET A 73 -7.832 -10.642 4.313 1.00 60.34 H new ATOM 0 HG3 MET A 73 -7.782 -10.804 2.569 1.00 60.34 H new ATOM 0 HE1 MET A 73 -4.277 -8.622 4.646 1.00 21.52 H new ATOM 0 HE2 MET A 73 -5.780 -7.867 4.066 1.00 21.52 H new ATOM 0 HE3 MET A 73 -5.812 -8.935 5.489 1.00 21.52 H new ATOM 1117 N SER A 74 -10.389 -7.201 4.424 1.00 44.32 N ATOM 1118 CA SER A 74 -11.001 -5.951 4.862 1.00 61.10 C ATOM 1119 C SER A 74 -9.958 -4.844 4.971 1.00 30.34 C ATOM 1120 O SER A 74 -8.772 -5.111 5.162 1.00 10.24 O ATOM 1121 CB SER A 74 -11.698 -6.145 6.210 1.00 53.34 C ATOM 1122 OG SER A 74 -12.482 -7.326 6.214 1.00 65.43 O ATOM 0 H SER A 74 -10.171 -7.851 5.179 1.00 44.32 H new ATOM 0 HA SER A 74 -11.741 -5.657 4.117 1.00 61.10 H new ATOM 0 HB2 SER A 74 -10.953 -6.197 7.004 1.00 53.34 H new ATOM 0 HB3 SER A 74 -12.331 -5.284 6.423 1.00 53.34 H new ATOM 0 HG SER A 74 -12.915 -7.428 7.087 1.00 65.43 H new ATOM 1128 N ASN A 75 -10.408 -3.600 4.850 1.00 43.32 N ATOM 1129 CA ASN A 75 -9.514 -2.451 4.933 1.00 14.23 C ATOM 1130 C ASN A 75 -8.664 -2.516 6.199 1.00 21.43 C ATOM 1131 O ASN A 75 -7.467 -2.232 6.168 1.00 11.24 O ATOM 1132 CB ASN A 75 -10.318 -1.150 4.912 1.00 51.42 C ATOM 1133 CG ASN A 75 -10.955 -0.887 3.562 1.00 3.52 C ATOM 1134 OD1 ASN A 75 -12.176 -0.772 3.450 1.00 13.34 O ATOM 1135 ND2 ASN A 75 -10.129 -0.789 2.527 1.00 40.33 N ATOM 0 H ASN A 75 -11.387 -3.361 4.694 1.00 43.32 H new ATOM 0 HA ASN A 75 -8.851 -2.474 4.068 1.00 14.23 H new ATOM 0 HB2 ASN A 75 -11.095 -1.194 5.675 1.00 51.42 H new ATOM 0 HB3 ASN A 75 -9.664 -0.317 5.171 1.00 51.42 H new ATOM 0 HD21 ASN A 75 -10.500 -0.612 1.594 1.00 40.33 H new ATOM 0 HD22 ASN A 75 -9.124 -0.891 2.665 1.00 40.33 H new ATOM 1142 N GLU A 76 -9.290 -2.892 7.309 1.00 51.33 N ATOM 1143 CA GLU A 76 -8.590 -2.993 8.583 1.00 55.42 C ATOM 1144 C GLU A 76 -7.417 -3.963 8.484 1.00 21.30 C ATOM 1145 O GLU A 76 -6.306 -3.655 8.916 1.00 4.53 O ATOM 1146 CB GLU A 76 -9.552 -3.451 9.683 1.00 33.04 C ATOM 1147 CG GLU A 76 -10.306 -4.725 9.341 1.00 30.23 C ATOM 1148 CD GLU A 76 -11.421 -5.025 10.325 1.00 33.43 C ATOM 1149 OE1 GLU A 76 -12.196 -4.099 10.642 1.00 40.03 O ATOM 1150 OE2 GLU A 76 -11.516 -6.185 10.778 1.00 11.41 O ATOM 0 H GLU A 76 -10.281 -3.132 7.352 1.00 51.33 H new ATOM 0 HA GLU A 76 -8.203 -2.006 8.835 1.00 55.42 H new ATOM 0 HB2 GLU A 76 -8.990 -3.608 10.604 1.00 33.04 H new ATOM 0 HB3 GLU A 76 -10.271 -2.655 9.880 1.00 33.04 H new ATOM 0 HG2 GLU A 76 -10.725 -4.637 8.339 1.00 30.23 H new ATOM 0 HG3 GLU A 76 -9.608 -5.562 9.322 1.00 30.23 H new ATOM 1157 N GLU A 77 -7.671 -5.135 7.913 1.00 64.45 N ATOM 1158 CA GLU A 77 -6.635 -6.150 7.758 1.00 51.35 C ATOM 1159 C GLU A 77 -5.479 -5.622 6.916 1.00 23.54 C ATOM 1160 O GLU A 77 -4.310 -5.792 7.270 1.00 51.54 O ATOM 1161 CB GLU A 77 -7.217 -7.410 7.113 1.00 61.34 C ATOM 1162 CG GLU A 77 -8.527 -7.863 7.735 1.00 43.45 C ATOM 1163 CD GLU A 77 -8.683 -9.372 7.735 1.00 23.22 C ATOM 1164 OE1 GLU A 77 -9.066 -9.927 6.684 1.00 52.13 O ATOM 1165 OE2 GLU A 77 -8.420 -9.996 8.784 1.00 71.11 O ATOM 0 H GLU A 77 -8.585 -5.406 7.550 1.00 64.45 H new ATOM 0 HA GLU A 77 -6.256 -6.400 8.749 1.00 51.35 H new ATOM 0 HB2 GLU A 77 -7.374 -7.225 6.050 1.00 61.34 H new ATOM 0 HB3 GLU A 77 -6.489 -8.217 7.191 1.00 61.34 H new ATOM 0 HG2 GLU A 77 -8.584 -7.496 8.760 1.00 43.45 H new ATOM 0 HG3 GLU A 77 -9.358 -7.416 7.189 1.00 43.45 H new ATOM 1172 N ILE A 78 -5.811 -4.983 5.799 1.00 24.21 N ATOM 1173 CA ILE A 78 -4.799 -4.430 4.907 1.00 42.50 C ATOM 1174 C ILE A 78 -4.027 -3.302 5.583 1.00 20.52 C ATOM 1175 O ILE A 78 -2.810 -3.195 5.436 1.00 75.42 O ATOM 1176 CB ILE A 78 -5.428 -3.896 3.605 1.00 72.54 C ATOM 1177 CG1 ILE A 78 -6.220 -5.003 2.906 1.00 23.51 C ATOM 1178 CG2 ILE A 78 -4.350 -3.345 2.684 1.00 45.24 C ATOM 1179 CD1 ILE A 78 -7.344 -4.485 2.036 1.00 13.50 C ATOM 0 H ILE A 78 -6.772 -4.836 5.490 1.00 24.21 H new ATOM 0 HA ILE A 78 -4.114 -5.243 4.665 1.00 42.50 H new ATOM 0 HB ILE A 78 -6.114 -3.086 3.854 1.00 72.54 H new ATOM 0 HG12 ILE A 78 -5.539 -5.594 2.293 1.00 23.51 H new ATOM 0 HG13 ILE A 78 -6.634 -5.674 3.659 1.00 23.51 H new ATOM 0 HG21 ILE A 78 -4.809 -2.972 1.769 1.00 45.24 H new ATOM 0 HG22 ILE A 78 -3.825 -2.531 3.184 1.00 45.24 H new ATOM 0 HG23 ILE A 78 -3.642 -4.137 2.438 1.00 45.24 H new ATOM 0 HD11 ILE A 78 -7.862 -5.325 1.572 1.00 13.50 H new ATOM 0 HD12 ILE A 78 -8.046 -3.919 2.648 1.00 13.50 H new ATOM 0 HD13 ILE A 78 -6.935 -3.838 1.260 1.00 13.50 H new ATOM 1191 N ASN A 79 -4.742 -2.464 6.326 1.00 10.13 N ATOM 1192 CA ASN A 79 -4.123 -1.345 7.027 1.00 62.34 C ATOM 1193 C ASN A 79 -3.104 -1.840 8.049 1.00 73.21 C ATOM 1194 O ASN A 79 -2.013 -1.282 8.173 1.00 42.55 O ATOM 1195 CB ASN A 79 -5.190 -0.499 7.723 1.00 52.43 C ATOM 1196 CG ASN A 79 -4.975 -0.413 9.221 1.00 31.54 C ATOM 1197 OD1 ASN A 79 -4.118 0.334 9.694 1.00 10.03 O ATOM 1198 ND2 ASN A 79 -5.752 -1.181 9.976 1.00 12.35 N ATOM 0 H ASN A 79 -5.751 -2.538 6.458 1.00 10.13 H new ATOM 0 HA ASN A 79 -3.604 -0.730 6.291 1.00 62.34 H new ATOM 0 HB2 ASN A 79 -5.186 0.506 7.300 1.00 52.43 H new ATOM 0 HB3 ASN A 79 -6.174 -0.924 7.524 1.00 52.43 H new ATOM 0 HD21 ASN A 79 -5.651 -1.167 10.991 1.00 12.35 H new ATOM 0 HD22 ASN A 79 -6.449 -1.785 9.541 1.00 12.35 H new ATOM 1205 N GLU A 80 -3.468 -2.890 8.778 1.00 21.51 N ATOM 1206 CA GLU A 80 -2.584 -3.460 9.789 1.00 53.05 C ATOM 1207 C GLU A 80 -1.469 -4.276 9.141 1.00 50.21 C ATOM 1208 O GLU A 80 -0.376 -4.398 9.692 1.00 24.14 O ATOM 1209 CB GLU A 80 -3.380 -4.340 10.755 1.00 12.42 C ATOM 1210 CG GLU A 80 -3.947 -5.594 10.111 1.00 24.45 C ATOM 1211 CD GLU A 80 -4.463 -6.592 11.129 1.00 1.33 C ATOM 1212 OE1 GLU A 80 -3.635 -7.169 11.866 1.00 2.30 O ATOM 1213 OE2 GLU A 80 -5.693 -6.795 11.190 1.00 63.25 O ATOM 0 H GLU A 80 -4.367 -3.363 8.688 1.00 21.51 H new ATOM 0 HA GLU A 80 -2.132 -2.638 10.345 1.00 53.05 H new ATOM 0 HB2 GLU A 80 -2.736 -4.628 11.586 1.00 12.42 H new ATOM 0 HB3 GLU A 80 -4.199 -3.756 11.175 1.00 12.42 H new ATOM 0 HG2 GLU A 80 -4.757 -5.317 9.437 1.00 24.45 H new ATOM 0 HG3 GLU A 80 -3.175 -6.067 9.504 1.00 24.45 H new ATOM 1220 N GLU A 81 -1.757 -4.833 7.969 1.00 62.41 N ATOM 1221 CA GLU A 81 -0.780 -5.638 7.247 1.00 22.52 C ATOM 1222 C GLU A 81 0.384 -4.778 6.762 1.00 0.10 C ATOM 1223 O GLU A 81 1.548 -5.089 7.014 1.00 22.54 O ATOM 1224 CB GLU A 81 -1.440 -6.338 6.057 1.00 43.12 C ATOM 1225 CG GLU A 81 -0.486 -7.203 5.252 1.00 72.41 C ATOM 1226 CD GLU A 81 -1.153 -8.446 4.695 1.00 74.21 C ATOM 1227 OE1 GLU A 81 -1.985 -9.043 5.409 1.00 42.52 O ATOM 1228 OE2 GLU A 81 -0.841 -8.821 3.546 1.00 44.32 O ATOM 0 H GLU A 81 -2.658 -4.741 7.500 1.00 62.41 H new ATOM 0 HA GLU A 81 -0.392 -6.391 7.933 1.00 22.52 H new ATOM 0 HB2 GLU A 81 -2.260 -6.958 6.420 1.00 43.12 H new ATOM 0 HB3 GLU A 81 -1.876 -5.585 5.400 1.00 43.12 H new ATOM 0 HG2 GLU A 81 -0.075 -6.616 4.430 1.00 72.41 H new ATOM 0 HG3 GLU A 81 0.352 -7.497 5.883 1.00 72.41 H new ATOM 1235 N LEU A 82 0.060 -3.694 6.065 1.00 50.23 N ATOM 1236 CA LEU A 82 1.076 -2.787 5.543 1.00 53.13 C ATOM 1237 C LEU A 82 1.596 -1.863 6.640 1.00 15.32 C ATOM 1238 O LEU A 82 2.747 -1.429 6.608 1.00 72.34 O ATOM 1239 CB LEU A 82 0.506 -1.959 4.391 1.00 41.51 C ATOM 1240 CG LEU A 82 -0.172 -2.746 3.269 1.00 52.34 C ATOM 1241 CD1 LEU A 82 -1.449 -2.050 2.824 1.00 4.21 C ATOM 1242 CD2 LEU A 82 0.778 -2.926 2.094 1.00 52.53 C ATOM 0 H LEU A 82 -0.899 -3.422 5.848 1.00 50.23 H new ATOM 0 HA LEU A 82 1.908 -3.387 5.174 1.00 53.13 H new ATOM 0 HB2 LEU A 82 -0.217 -1.253 4.800 1.00 41.51 H new ATOM 0 HB3 LEU A 82 1.315 -1.371 3.958 1.00 41.51 H new ATOM 0 HG LEU A 82 -0.435 -3.732 3.651 1.00 52.34 H new ATOM 0 HD11 LEU A 82 -1.917 -2.625 2.025 1.00 4.21 H new ATOM 0 HD12 LEU A 82 -2.135 -1.975 3.667 1.00 4.21 H new ATOM 0 HD13 LEU A 82 -1.211 -1.051 2.460 1.00 4.21 H new ATOM 0 HD21 LEU A 82 0.278 -3.488 1.305 1.00 52.53 H new ATOM 0 HD22 LEU A 82 1.073 -1.949 1.712 1.00 52.53 H new ATOM 0 HD23 LEU A 82 1.664 -3.470 2.422 1.00 52.53 H new ATOM 1254 N GLY A 83 0.739 -1.567 7.614 1.00 61.43 N ATOM 1255 CA GLY A 83 1.130 -0.699 8.708 1.00 43.30 C ATOM 1256 C GLY A 83 0.827 0.760 8.427 1.00 34.23 C ATOM 1257 O GLY A 83 1.520 1.651 8.920 1.00 35.31 O ATOM 0 H GLY A 83 -0.219 -1.914 7.664 1.00 61.43 H new ATOM 0 HA2 GLY A 83 0.610 -1.007 9.615 1.00 43.30 H new ATOM 0 HA3 GLY A 83 2.197 -0.816 8.897 1.00 43.30 H new ATOM 1261 N ILE A 84 -0.209 1.005 7.632 1.00 61.11 N ATOM 1262 CA ILE A 84 -0.601 2.366 7.287 1.00 22.25 C ATOM 1263 C ILE A 84 -1.854 2.787 8.048 1.00 30.23 C ATOM 1264 O ILE A 84 -2.345 2.058 8.907 1.00 73.23 O ATOM 1265 CB ILE A 84 -0.859 2.511 5.776 1.00 71.23 C ATOM 1266 CG1 ILE A 84 -2.039 1.633 5.351 1.00 21.44 C ATOM 1267 CG2 ILE A 84 0.390 2.146 4.987 1.00 5.52 C ATOM 1268 CD1 ILE A 84 -2.361 1.726 3.876 1.00 11.25 C ATOM 0 H ILE A 84 -0.792 0.279 7.215 1.00 61.11 H new ATOM 0 HA ILE A 84 0.228 3.015 7.570 1.00 22.25 H new ATOM 0 HB ILE A 84 -1.108 3.551 5.564 1.00 71.23 H new ATOM 0 HG12 ILE A 84 -1.818 0.595 5.602 1.00 21.44 H new ATOM 0 HG13 ILE A 84 -2.920 1.919 5.926 1.00 21.44 H new ATOM 0 HG21 ILE A 84 0.191 2.254 3.921 1.00 5.52 H new ATOM 0 HG22 ILE A 84 1.207 2.808 5.272 1.00 5.52 H new ATOM 0 HG23 ILE A 84 0.668 1.114 5.202 1.00 5.52 H new ATOM 0 HD11 ILE A 84 -3.207 1.078 3.647 1.00 11.25 H new ATOM 0 HD12 ILE A 84 -2.614 2.756 3.623 1.00 11.25 H new ATOM 0 HD13 ILE A 84 -1.495 1.411 3.294 1.00 11.25 H new ATOM 1280 N GLY A 85 -2.366 3.971 7.724 1.00 51.04 N ATOM 1281 CA GLY A 85 -3.559 4.468 8.385 1.00 62.22 C ATOM 1282 C GLY A 85 -4.710 4.681 7.421 1.00 34.44 C ATOM 1283 O GLY A 85 -5.213 5.796 7.284 1.00 62.43 O ATOM 0 H GLY A 85 -1.976 4.594 7.017 1.00 51.04 H new ATOM 0 HA2 GLY A 85 -3.863 3.763 9.158 1.00 62.22 H new ATOM 0 HA3 GLY A 85 -3.329 5.409 8.885 1.00 62.22 H new ATOM 1287 N GLN A 86 -5.126 3.610 6.753 1.00 31.24 N ATOM 1288 CA GLN A 86 -6.223 3.686 5.797 1.00 63.32 C ATOM 1289 C GLN A 86 -7.447 4.345 6.423 1.00 54.21 C ATOM 1290 O GLN A 86 -7.503 4.546 7.636 1.00 72.12 O ATOM 1291 CB GLN A 86 -6.584 2.288 5.291 1.00 24.30 C ATOM 1292 CG GLN A 86 -6.306 2.086 3.810 1.00 30.20 C ATOM 1293 CD GLN A 86 -6.372 0.629 3.397 1.00 32.14 C ATOM 1294 OE1 GLN A 86 -7.389 -0.037 3.592 1.00 70.14 O ATOM 1295 NE2 GLN A 86 -5.286 0.126 2.823 1.00 22.23 N ATOM 0 H GLN A 86 -4.720 2.680 6.856 1.00 31.24 H new ATOM 0 HA GLN A 86 -5.896 4.296 4.955 1.00 63.32 H new ATOM 0 HB2 GLN A 86 -6.023 1.548 5.862 1.00 24.30 H new ATOM 0 HB3 GLN A 86 -7.641 2.103 5.482 1.00 24.30 H new ATOM 0 HG2 GLN A 86 -7.028 2.658 3.227 1.00 30.20 H new ATOM 0 HG3 GLN A 86 -5.319 2.483 3.572 1.00 30.20 H new ATOM 0 HE21 GLN A 86 -4.465 0.715 2.681 1.00 22.23 H new ATOM 0 HE22 GLN A 86 -5.272 -0.849 2.524 1.00 22.23 H new