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 75 ASN : amide:sc= -0.282 K(o=-3.1,f=-2.5) USER MOD Set 1.2: A 86 GLN : amide:sc= -2.85! K(o=-3.1!,f=-1.9) USER MOD Set 2.1: A 31 CYS SG : rot 145:sc= -0.164 USER MOD Set 2.2: A 34 CYS SG : rot -60:sc= 0.627 USER MOD Set 2.3: A 56 CYS SG : rot 118:sc= -0.0069 USER MOD Set 2.4: A 57 MET CE :methyl 155:sc= -1.92 (180deg=-2.07!) USER MOD Set 2.5: A 67 CYS SG : rot -63:sc= -0.0223 USER MOD Single : A 26 SER OG : rot 32:sc= 0.191 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= -2.57! K(o=-2.6!,f=-0.93) USER MOD Single : A 59 ASN : amide:sc= 0.299 K(o=0.3,f=-2.7!) 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= -3.07! C(o=-3.1!,f=-4.4!) USER MOD Single : A 73 MET CE :methyl -171:sc= -2.11 (180deg=-2.31!) USER MOD Single : A 74 SER OG : rot -145:sc= 0.951 USER MOD Single : A 79 ASN : amide:sc= -0.367 K(o=-0.37,f=0.84) USER MOD ----------------------------------------------------------------- ATOM 366 N SER A 26 4.098 -12.344 -0.899 1.00 63.33 N ATOM 367 CA SER A 26 2.860 -11.751 -1.391 1.00 73.42 C ATOM 368 C SER A 26 2.939 -10.228 -1.362 1.00 32.50 C ATOM 369 O SER A 26 3.383 -9.638 -0.378 1.00 51.44 O ATOM 370 CB SER A 26 1.672 -12.228 -0.553 1.00 32.45 C ATOM 371 OG SER A 26 1.663 -13.640 -0.440 1.00 63.11 O ATOM 0 HA SER A 26 2.718 -12.071 -2.423 1.00 73.42 H new ATOM 0 HB2 SER A 26 1.720 -11.781 0.440 1.00 32.45 H new ATOM 0 HB3 SER A 26 0.742 -11.891 -1.010 1.00 32.45 H new ATOM 0 HG SER A 26 2.584 -13.975 -0.452 1.00 63.11 H new ATOM 377 N ALA A 27 2.504 -9.598 -2.449 1.00 42.02 N ATOM 378 CA ALA A 27 2.523 -8.144 -2.548 1.00 1.31 C ATOM 379 C ALA A 27 1.111 -7.585 -2.686 1.00 12.04 C ATOM 380 O ALA A 27 0.193 -8.289 -3.105 1.00 42.21 O ATOM 381 CB ALA A 27 3.384 -7.706 -3.723 1.00 61.40 C ATOM 0 H ALA A 27 2.134 -10.072 -3.273 1.00 42.02 H new ATOM 0 HA ALA A 27 2.954 -7.747 -1.629 1.00 1.31 H new ATOM 0 HB1 ALA A 27 3.389 -6.618 -3.785 1.00 61.40 H new ATOM 0 HB2 ALA A 27 4.403 -8.066 -3.582 1.00 61.40 H new ATOM 0 HB3 ALA A 27 2.978 -8.120 -4.646 1.00 61.40 H new ATOM 387 N TRP A 28 0.946 -6.316 -2.331 1.00 20.31 N ATOM 388 CA TRP A 28 -0.356 -5.663 -2.416 1.00 41.21 C ATOM 389 C TRP A 28 -0.469 -4.837 -3.693 1.00 52.51 C ATOM 390 O TRP A 28 0.408 -4.028 -4.000 1.00 44.12 O ATOM 391 CB TRP A 28 -0.582 -4.770 -1.195 1.00 10.10 C ATOM 392 CG TRP A 28 -1.156 -5.503 -0.020 1.00 14.31 C ATOM 393 CD1 TRP A 28 -0.549 -5.726 1.183 1.00 65.35 C ATOM 394 CD2 TRP A 28 -2.449 -6.111 0.061 1.00 43.31 C ATOM 395 NE1 TRP A 28 -1.387 -6.436 2.008 1.00 25.23 N ATOM 396 CE2 TRP A 28 -2.560 -6.684 1.344 1.00 73.40 C ATOM 397 CE3 TRP A 28 -3.526 -6.225 -0.822 1.00 34.42 C ATOM 398 CZ2 TRP A 28 -3.703 -7.361 1.760 1.00 21.03 C ATOM 399 CZ3 TRP A 28 -4.659 -6.898 -0.408 1.00 33.44 C ATOM 400 CH2 TRP A 28 -4.742 -7.457 0.874 1.00 61.24 C ATOM 0 H TRP A 28 1.696 -5.719 -1.982 1.00 20.31 H new ATOM 0 HA TRP A 28 -1.122 -6.438 -2.438 1.00 41.21 H new ATOM 0 HB2 TRP A 28 0.366 -4.318 -0.904 1.00 10.10 H new ATOM 0 HB3 TRP A 28 -1.253 -3.956 -1.469 1.00 10.10 H new ATOM 0 HD1 TRP A 28 0.444 -5.393 1.447 1.00 65.35 H new ATOM 0 HE1 TRP A 28 -1.171 -6.731 2.960 1.00 25.23 H new ATOM 0 HE3 TRP A 28 -3.473 -5.794 -1.811 1.00 34.42 H new ATOM 0 HZ2 TRP A 28 -3.768 -7.795 2.747 1.00 21.03 H new ATOM 0 HZ3 TRP A 28 -5.495 -6.995 -1.084 1.00 33.44 H new ATOM 0 HH2 TRP A 28 -5.643 -7.974 1.169 1.00 61.24 H new ATOM 411 N VAL A 29 -1.553 -5.045 -4.434 1.00 50.14 N ATOM 412 CA VAL A 29 -1.780 -4.319 -5.677 1.00 3.25 C ATOM 413 C VAL A 29 -3.191 -3.744 -5.727 1.00 22.34 C ATOM 414 O VAL A 29 -4.139 -4.353 -5.231 1.00 72.33 O ATOM 415 CB VAL A 29 -1.563 -5.224 -6.904 1.00 54.10 C ATOM 416 CG1 VAL A 29 -0.080 -5.503 -7.104 1.00 21.43 C ATOM 417 CG2 VAL A 29 -2.342 -6.521 -6.753 1.00 64.30 C ATOM 0 H VAL A 29 -2.288 -5.711 -4.194 1.00 50.14 H new ATOM 0 HA VAL A 29 -1.057 -3.504 -5.704 1.00 3.25 H new ATOM 0 HB VAL A 29 -1.934 -4.705 -7.788 1.00 54.10 H new ATOM 0 HG11 VAL A 29 0.055 -6.144 -7.975 1.00 21.43 H new ATOM 0 HG12 VAL A 29 0.449 -4.563 -7.259 1.00 21.43 H new ATOM 0 HG13 VAL A 29 0.319 -6.002 -6.221 1.00 21.43 H new ATOM 0 HG21 VAL A 29 -2.177 -7.148 -7.629 1.00 64.30 H new ATOM 0 HG22 VAL A 29 -2.003 -7.047 -5.861 1.00 64.30 H new ATOM 0 HG23 VAL A 29 -3.405 -6.298 -6.661 1.00 64.30 H new ATOM 427 N ARG A 30 -3.323 -2.567 -6.330 1.00 22.14 N ATOM 428 CA ARG A 30 -4.620 -1.909 -6.445 1.00 41.14 C ATOM 429 C ARG A 30 -5.131 -1.962 -7.881 1.00 61.41 C ATOM 430 O ARG A 30 -4.359 -1.832 -8.832 1.00 11.04 O ATOM 431 CB ARG A 30 -4.520 -0.454 -5.981 1.00 22.24 C ATOM 432 CG ARG A 30 -5.862 0.258 -5.917 1.00 51.44 C ATOM 433 CD ARG A 30 -5.799 1.624 -6.580 1.00 23.43 C ATOM 434 NE ARG A 30 -5.553 1.525 -8.016 1.00 21.22 N ATOM 435 CZ ARG A 30 -5.072 2.522 -8.751 1.00 40.12 C ATOM 436 NH1 ARG A 30 -4.786 3.687 -8.187 1.00 42.32 N ATOM 437 NH2 ARG A 30 -4.874 2.354 -10.052 1.00 23.51 N ATOM 0 H ARG A 30 -2.549 -2.050 -6.746 1.00 22.14 H new ATOM 0 HA ARG A 30 -5.327 -2.439 -5.807 1.00 41.14 H new ATOM 0 HB2 ARG A 30 -4.056 -0.427 -4.995 1.00 22.24 H new ATOM 0 HB3 ARG A 30 -3.861 0.090 -6.658 1.00 22.24 H new ATOM 0 HG2 ARG A 30 -6.622 -0.351 -6.407 1.00 51.44 H new ATOM 0 HG3 ARG A 30 -6.166 0.371 -4.876 1.00 51.44 H new ATOM 0 HD2 ARG A 30 -6.736 2.154 -6.409 1.00 23.43 H new ATOM 0 HD3 ARG A 30 -5.009 2.216 -6.117 1.00 23.43 H new ATOM 0 HE ARG A 30 -5.762 0.641 -8.481 1.00 21.22 H new ATOM 0 HH11 ARG A 30 -4.935 3.820 -7.187 1.00 42.32 H new ATOM 0 HH12 ARG A 30 -4.417 4.451 -8.753 1.00 42.32 H new ATOM 0 HH21 ARG A 30 -5.091 1.459 -10.489 1.00 23.51 H new ATOM 0 HH22 ARG A 30 -4.505 3.120 -10.615 1.00 23.51 H new ATOM 451 N CYS A 31 -6.437 -2.155 -8.032 1.00 71.22 N ATOM 452 CA CYS A 31 -7.053 -2.227 -9.352 1.00 62.21 C ATOM 453 C CYS A 31 -7.185 -0.837 -9.967 1.00 11.42 C ATOM 454 O CYS A 31 -7.573 0.117 -9.293 1.00 45.10 O ATOM 455 CB CYS A 31 -8.429 -2.889 -9.260 1.00 32.31 C ATOM 456 SG CYS A 31 -9.225 -3.175 -10.874 1.00 4.42 S ATOM 0 H CYS A 31 -7.090 -2.264 -7.256 1.00 71.22 H new ATOM 0 HA CYS A 31 -6.410 -2.829 -9.994 1.00 62.21 H new ATOM 0 HB2 CYS A 31 -8.328 -3.843 -8.743 1.00 32.31 H new ATOM 0 HB3 CYS A 31 -9.081 -2.264 -8.651 1.00 32.31 H new ATOM 0 HG CYS A 31 -9.903 -4.283 -10.833 1.00 4.42 H new ATOM 461 N ASP A 32 -6.860 -0.730 -11.250 1.00 73.20 N ATOM 462 CA ASP A 32 -6.943 0.543 -11.958 1.00 41.34 C ATOM 463 C ASP A 32 -8.267 0.663 -12.704 1.00 34.54 C ATOM 464 O ASP A 32 -8.339 1.289 -13.762 1.00 22.34 O ATOM 465 CB ASP A 32 -5.776 0.685 -12.935 1.00 71.12 C ATOM 466 CG ASP A 32 -5.344 2.127 -13.115 1.00 72.01 C ATOM 467 OD1 ASP A 32 -6.157 3.030 -12.831 1.00 71.21 O ATOM 468 OD2 ASP A 32 -4.191 2.351 -13.541 1.00 50.45 O ATOM 0 H ASP A 32 -6.536 -1.510 -11.822 1.00 73.20 H new ATOM 0 HA ASP A 32 -6.888 1.345 -11.222 1.00 41.34 H new ATOM 0 HB2 ASP A 32 -4.931 0.098 -12.575 1.00 71.12 H new ATOM 0 HB3 ASP A 32 -6.063 0.271 -13.902 1.00 71.12 H new ATOM 473 N ASP A 33 -9.311 0.058 -12.151 1.00 44.34 N ATOM 474 CA ASP A 33 -10.633 0.096 -12.764 1.00 1.34 C ATOM 475 C ASP A 33 -11.715 0.313 -11.710 1.00 22.55 C ATOM 476 O ASP A 33 -12.655 1.081 -11.919 1.00 25.51 O ATOM 477 CB ASP A 33 -10.901 -1.200 -13.531 1.00 11.44 C ATOM 478 CG ASP A 33 -11.860 -1.000 -14.689 1.00 3.53 C ATOM 479 OD1 ASP A 33 -12.335 0.140 -14.876 1.00 14.12 O ATOM 480 OD2 ASP A 33 -12.136 -1.983 -15.407 1.00 54.43 O ATOM 0 H ASP A 33 -9.267 -0.466 -11.277 1.00 44.34 H new ATOM 0 HA ASP A 33 -10.659 0.933 -13.462 1.00 1.34 H new ATOM 0 HB2 ASP A 33 -9.959 -1.597 -13.908 1.00 11.44 H new ATOM 0 HB3 ASP A 33 -11.310 -1.945 -12.848 1.00 11.44 H new ATOM 485 N CYS A 34 -11.578 -0.372 -10.580 1.00 4.45 N ATOM 486 CA CYS A 34 -12.545 -0.257 -9.494 1.00 53.30 C ATOM 487 C CYS A 34 -11.887 0.308 -8.238 1.00 55.10 C ATOM 488 O CYS A 34 -12.566 0.659 -7.272 1.00 34.34 O ATOM 489 CB CYS A 34 -13.164 -1.621 -9.189 1.00 51.15 C ATOM 490 SG CYS A 34 -11.988 -2.839 -8.514 1.00 14.42 S ATOM 0 H CYS A 34 -10.807 -1.013 -10.392 1.00 4.45 H new ATOM 0 HA CYS A 34 -13.331 0.428 -9.811 1.00 53.30 H new ATOM 0 HB2 CYS A 34 -13.979 -1.487 -8.478 1.00 51.15 H new ATOM 0 HB3 CYS A 34 -13.601 -2.022 -10.103 1.00 51.15 H new ATOM 0 HG CYS A 34 -11.035 -3.044 -9.374 1.00 14.42 H new ATOM 495 N PHE A 35 -10.560 0.395 -8.259 1.00 63.42 N ATOM 496 CA PHE A 35 -9.810 0.916 -7.123 1.00 64.04 C ATOM 497 C PHE A 35 -10.044 0.063 -5.879 1.00 60.44 C ATOM 498 O PHE A 35 -10.713 0.487 -4.938 1.00 24.01 O ATOM 499 CB PHE A 35 -10.211 2.366 -6.843 1.00 51.35 C ATOM 500 CG PHE A 35 -10.026 3.278 -8.022 1.00 71.44 C ATOM 501 CD1 PHE A 35 -8.822 3.930 -8.229 1.00 52.01 C ATOM 502 CD2 PHE A 35 -11.058 3.481 -8.924 1.00 11.02 C ATOM 503 CE1 PHE A 35 -8.648 4.769 -9.314 1.00 62.14 C ATOM 504 CE2 PHE A 35 -10.890 4.319 -10.011 1.00 62.04 C ATOM 505 CZ PHE A 35 -9.685 4.964 -10.205 1.00 34.53 C ATOM 0 H PHE A 35 -9.983 0.111 -9.051 1.00 63.42 H new ATOM 0 HA PHE A 35 -8.749 0.880 -7.372 1.00 64.04 H new ATOM 0 HB2 PHE A 35 -11.256 2.392 -6.534 1.00 51.35 H new ATOM 0 HB3 PHE A 35 -9.622 2.742 -6.007 1.00 51.35 H new ATOM 0 HD1 PHE A 35 -8.009 3.781 -7.534 1.00 52.01 H new ATOM 0 HD2 PHE A 35 -12.003 2.980 -8.777 1.00 11.02 H new ATOM 0 HE1 PHE A 35 -7.703 5.271 -9.464 1.00 62.14 H new ATOM 0 HE2 PHE A 35 -11.701 4.469 -10.708 1.00 62.04 H new ATOM 0 HZ PHE A 35 -9.553 5.620 -11.053 1.00 34.53 H new ATOM 515 N LYS A 36 -9.486 -1.144 -5.884 1.00 1.50 N ATOM 516 CA LYS A 36 -9.631 -2.058 -4.757 1.00 32.44 C ATOM 517 C LYS A 36 -8.332 -2.814 -4.500 1.00 52.24 C ATOM 518 O LYS A 36 -7.586 -3.122 -5.430 1.00 5.34 O ATOM 519 CB LYS A 36 -10.767 -3.049 -5.022 1.00 11.11 C ATOM 520 CG LYS A 36 -11.579 -3.388 -3.784 1.00 32.10 C ATOM 521 CD LYS A 36 -12.716 -2.401 -3.576 1.00 53.44 C ATOM 522 CE LYS A 36 -13.669 -2.871 -2.488 1.00 51.14 C ATOM 523 NZ LYS A 36 -15.092 -2.627 -2.854 1.00 72.21 N ATOM 0 H LYS A 36 -8.930 -1.511 -6.656 1.00 1.50 H new ATOM 0 HA LYS A 36 -9.869 -1.469 -3.871 1.00 32.44 H new ATOM 0 HB2 LYS A 36 -11.431 -2.633 -5.779 1.00 11.11 H new ATOM 0 HB3 LYS A 36 -10.348 -3.967 -5.434 1.00 11.11 H new ATOM 0 HG2 LYS A 36 -11.983 -4.396 -3.878 1.00 32.10 H new ATOM 0 HG3 LYS A 36 -10.929 -3.385 -2.909 1.00 32.10 H new ATOM 0 HD2 LYS A 36 -12.309 -1.426 -3.308 1.00 53.44 H new ATOM 0 HD3 LYS A 36 -13.263 -2.272 -4.510 1.00 53.44 H new ATOM 0 HE2 LYS A 36 -13.518 -3.935 -2.308 1.00 51.14 H new ATOM 0 HE3 LYS A 36 -13.440 -2.354 -1.556 1.00 51.14 H new ATOM 0 HZ1 LYS A 36 -15.710 -2.961 -2.087 1.00 72.21 H new ATOM 0 HZ2 LYS A 36 -15.243 -1.609 -3.002 1.00 72.21 H new ATOM 0 HZ3 LYS A 36 -15.318 -3.141 -3.729 1.00 72.21 H new ATOM 537 N TRP A 37 -8.068 -3.112 -3.233 1.00 63.34 N ATOM 538 CA TRP A 37 -6.858 -3.835 -2.854 1.00 1.15 C ATOM 539 C TRP A 37 -6.943 -5.297 -3.277 1.00 71.42 C ATOM 540 O TRP A 37 -8.013 -5.903 -3.239 1.00 1.32 O ATOM 541 CB TRP A 37 -6.635 -3.740 -1.343 1.00 20.14 C ATOM 542 CG TRP A 37 -5.777 -2.579 -0.942 1.00 5.23 C ATOM 543 CD1 TRP A 37 -6.051 -1.654 0.026 1.00 1.41 C ATOM 544 CD2 TRP A 37 -4.510 -2.216 -1.498 1.00 74.33 C ATOM 545 NE1 TRP A 37 -5.029 -0.739 0.104 1.00 4.20 N ATOM 546 CE2 TRP A 37 -4.070 -1.063 -0.819 1.00 3.02 C ATOM 547 CE3 TRP A 37 -3.701 -2.755 -2.502 1.00 50.44 C ATOM 548 CZ2 TRP A 37 -2.860 -0.440 -1.114 1.00 25.42 C ATOM 549 CZ3 TRP A 37 -2.500 -2.137 -2.794 1.00 53.22 C ATOM 550 CH2 TRP A 37 -2.089 -0.990 -2.102 1.00 15.14 C ATOM 0 H TRP A 37 -8.674 -2.865 -2.451 1.00 63.34 H new ATOM 0 HA TRP A 37 -6.014 -3.376 -3.368 1.00 1.15 H new ATOM 0 HB2 TRP A 37 -7.601 -3.658 -0.845 1.00 20.14 H new ATOM 0 HB3 TRP A 37 -6.173 -4.663 -0.992 1.00 20.14 H new ATOM 0 HD1 TRP A 37 -6.940 -1.644 0.639 1.00 1.41 H new ATOM 0 HE1 TRP A 37 -4.991 0.053 0.745 1.00 4.20 H new ATOM 0 HE3 TRP A 37 -4.009 -3.639 -3.040 1.00 50.44 H new ATOM 0 HZ2 TRP A 37 -2.542 0.445 -0.583 1.00 25.42 H new ATOM 0 HZ3 TRP A 37 -1.868 -2.545 -3.569 1.00 53.22 H new ATOM 0 HH2 TRP A 37 -1.144 -0.531 -2.353 1.00 15.14 H new ATOM 561 N ARG A 38 -5.807 -5.858 -3.680 1.00 60.13 N ATOM 562 CA ARG A 38 -5.754 -7.250 -4.112 1.00 0.41 C ATOM 563 C ARG A 38 -4.401 -7.871 -3.777 1.00 62.53 C ATOM 564 O ARG A 38 -3.355 -7.353 -4.168 1.00 43.11 O ATOM 565 CB ARG A 38 -6.015 -7.350 -5.616 1.00 41.13 C ATOM 566 CG ARG A 38 -7.330 -8.031 -5.961 1.00 51.12 C ATOM 567 CD ARG A 38 -7.361 -9.467 -5.461 1.00 22.54 C ATOM 568 NE ARG A 38 -8.486 -10.215 -6.017 1.00 54.45 N ATOM 569 CZ ARG A 38 -9.750 -10.014 -5.661 1.00 70.14 C ATOM 570 NH1 ARG A 38 -10.048 -9.092 -4.756 1.00 24.35 N ATOM 571 NH2 ARG A 38 -10.718 -10.735 -6.212 1.00 34.01 N ATOM 0 H ARG A 38 -4.912 -5.370 -3.716 1.00 60.13 H new ATOM 0 HA ARG A 38 -6.529 -7.800 -3.579 1.00 0.41 H new ATOM 0 HB2 ARG A 38 -6.011 -6.348 -6.045 1.00 41.13 H new ATOM 0 HB3 ARG A 38 -5.197 -7.899 -6.083 1.00 41.13 H new ATOM 0 HG2 ARG A 38 -8.156 -7.473 -5.521 1.00 51.12 H new ATOM 0 HG3 ARG A 38 -7.476 -8.017 -7.041 1.00 51.12 H new ATOM 0 HD2 ARG A 38 -6.428 -9.964 -5.727 1.00 22.54 H new ATOM 0 HD3 ARG A 38 -7.425 -9.471 -4.373 1.00 22.54 H new ATOM 0 HE ARG A 38 -8.290 -10.931 -6.717 1.00 54.45 H new ATOM 0 HH11 ARG A 38 -9.306 -8.535 -4.332 1.00 24.35 H new ATOM 0 HH12 ARG A 38 -11.019 -8.939 -4.484 1.00 24.35 H new ATOM 0 HH21 ARG A 38 -10.492 -11.444 -6.909 1.00 34.01 H new ATOM 0 HH22 ARG A 38 -11.688 -10.580 -5.938 1.00 34.01 H new ATOM 585 N ARG A 39 -4.431 -8.984 -3.052 1.00 51.33 N ATOM 586 CA ARG A 39 -3.207 -9.675 -2.663 1.00 51.33 C ATOM 587 C ARG A 39 -2.756 -10.639 -3.756 1.00 60.53 C ATOM 588 O ARG A 39 -3.505 -11.531 -4.158 1.00 41.00 O ATOM 589 CB ARG A 39 -3.419 -10.436 -1.352 1.00 20.01 C ATOM 590 CG ARG A 39 -2.147 -10.621 -0.542 1.00 21.22 C ATOM 591 CD ARG A 39 -2.117 -11.976 0.148 1.00 22.23 C ATOM 592 NE ARG A 39 -1.191 -11.996 1.276 1.00 22.03 N ATOM 593 CZ ARG A 39 -1.085 -13.015 2.122 1.00 13.12 C ATOM 594 NH1 ARG A 39 -1.843 -14.092 1.966 1.00 10.41 N ATOM 595 NH2 ARG A 39 -0.218 -12.958 3.125 1.00 41.20 N ATOM 0 H ARG A 39 -5.289 -9.427 -2.722 1.00 51.33 H new ATOM 0 HA ARG A 39 -2.428 -8.927 -2.518 1.00 51.33 H new ATOM 0 HB2 ARG A 39 -4.151 -9.902 -0.746 1.00 20.01 H new ATOM 0 HB3 ARG A 39 -3.843 -11.415 -1.575 1.00 20.01 H new ATOM 0 HG2 ARG A 39 -1.281 -10.526 -1.197 1.00 21.22 H new ATOM 0 HG3 ARG A 39 -2.071 -9.830 0.204 1.00 21.22 H new ATOM 0 HD2 ARG A 39 -3.119 -12.227 0.497 1.00 22.23 H new ATOM 0 HD3 ARG A 39 -1.829 -12.743 -0.571 1.00 22.23 H new ATOM 0 HE ARG A 39 -0.592 -11.183 1.423 1.00 22.03 H new ATOM 0 HH11 ARG A 39 -2.509 -14.139 1.195 1.00 10.41 H new ATOM 0 HH12 ARG A 39 -1.760 -14.873 2.617 1.00 10.41 H new ATOM 0 HH21 ARG A 39 0.367 -12.132 3.247 1.00 41.20 H new ATOM 0 HH22 ARG A 39 -0.137 -13.741 3.774 1.00 41.20 H new ATOM 609 N ILE A 40 -1.529 -10.454 -4.233 1.00 65.23 N ATOM 610 CA ILE A 40 -0.980 -11.308 -5.278 1.00 0.55 C ATOM 611 C ILE A 40 0.372 -11.880 -4.867 1.00 13.20 C ATOM 612 O ILE A 40 1.104 -11.295 -4.068 1.00 41.02 O ATOM 613 CB ILE A 40 -0.819 -10.540 -6.604 1.00 43.25 C ATOM 614 CG1 ILE A 40 0.359 -9.568 -6.515 1.00 31.03 C ATOM 615 CG2 ILE A 40 -2.102 -9.798 -6.945 1.00 71.52 C ATOM 616 CD1 ILE A 40 0.508 -8.687 -7.736 1.00 41.22 C ATOM 0 H ILE A 40 -0.897 -9.720 -3.912 1.00 65.23 H new ATOM 0 HA ILE A 40 -1.687 -12.124 -5.423 1.00 0.55 H new ATOM 0 HB ILE A 40 -0.615 -11.256 -7.400 1.00 43.25 H new ATOM 0 HG12 ILE A 40 0.234 -8.937 -5.635 1.00 31.03 H new ATOM 0 HG13 ILE A 40 1.278 -10.136 -6.372 1.00 31.03 H new ATOM 0 HG21 ILE A 40 -1.973 -9.260 -7.884 1.00 71.52 H new ATOM 0 HG22 ILE A 40 -2.920 -10.512 -7.045 1.00 71.52 H new ATOM 0 HG23 ILE A 40 -2.335 -9.089 -6.150 1.00 71.52 H new ATOM 0 HD11 ILE A 40 1.363 -8.023 -7.604 1.00 41.22 H new ATOM 0 HD12 ILE A 40 0.665 -9.310 -8.617 1.00 41.22 H new ATOM 0 HD13 ILE A 40 -0.396 -8.092 -7.868 1.00 41.22 H new ATOM 628 N PRO A 41 0.715 -13.049 -5.425 1.00 32.43 N ATOM 629 CA PRO A 41 1.983 -13.726 -5.134 1.00 3.32 C ATOM 630 C PRO A 41 3.182 -12.984 -5.716 1.00 44.13 C ATOM 631 O PRO A 41 3.048 -12.222 -6.672 1.00 33.14 O ATOM 632 CB PRO A 41 1.819 -15.091 -5.807 1.00 13.32 C ATOM 633 CG PRO A 41 0.830 -14.860 -6.896 1.00 32.30 C ATOM 634 CD PRO A 41 -0.109 -13.802 -6.386 1.00 72.41 C ATOM 0 HA PRO A 41 2.178 -13.785 -4.063 1.00 3.32 H new ATOM 0 HB2 PRO A 41 2.767 -15.453 -6.204 1.00 13.32 H new ATOM 0 HB3 PRO A 41 1.462 -15.840 -5.101 1.00 13.32 H new ATOM 0 HG2 PRO A 41 1.326 -14.534 -7.810 1.00 32.30 H new ATOM 0 HG3 PRO A 41 0.292 -15.777 -7.135 1.00 32.30 H new ATOM 0 HD2 PRO A 41 -0.471 -13.164 -7.192 1.00 72.41 H new ATOM 0 HD3 PRO A 41 -0.985 -14.239 -5.908 1.00 72.41 H new ATOM 642 N ALA A 42 4.354 -13.214 -5.132 1.00 22.10 N ATOM 643 CA ALA A 42 5.576 -12.570 -5.595 1.00 50.15 C ATOM 644 C ALA A 42 5.972 -13.074 -6.978 1.00 20.52 C ATOM 645 O ALA A 42 6.846 -12.502 -7.631 1.00 41.01 O ATOM 646 CB ALA A 42 6.705 -12.807 -4.603 1.00 43.33 C ATOM 0 H ALA A 42 4.482 -13.841 -4.338 1.00 22.10 H new ATOM 0 HA ALA A 42 5.388 -11.499 -5.667 1.00 50.15 H new ATOM 0 HB1 ALA A 42 7.612 -12.320 -4.961 1.00 43.33 H new ATOM 0 HB2 ALA A 42 6.430 -12.393 -3.633 1.00 43.33 H new ATOM 0 HB3 ALA A 42 6.883 -13.878 -4.503 1.00 43.33 H new ATOM 652 N SER A 43 5.325 -14.147 -7.421 1.00 10.32 N ATOM 653 CA SER A 43 5.612 -14.730 -8.726 1.00 14.32 C ATOM 654 C SER A 43 4.993 -13.895 -9.842 1.00 33.32 C ATOM 655 O SER A 43 5.575 -13.744 -10.917 1.00 61.22 O ATOM 656 CB SER A 43 5.086 -16.165 -8.795 1.00 43.53 C ATOM 657 OG SER A 43 6.020 -17.078 -8.245 1.00 1.41 O ATOM 0 H SER A 43 4.598 -14.631 -6.894 1.00 10.32 H new ATOM 0 HA SER A 43 6.694 -14.741 -8.861 1.00 14.32 H new ATOM 0 HB2 SER A 43 4.142 -16.236 -8.255 1.00 43.53 H new ATOM 0 HB3 SER A 43 4.880 -16.431 -9.832 1.00 43.53 H new ATOM 0 HG SER A 43 5.659 -17.988 -8.300 1.00 1.41 H new ATOM 663 N VAL A 44 3.808 -13.352 -9.580 1.00 63.24 N ATOM 664 CA VAL A 44 3.108 -12.532 -10.561 1.00 52.32 C ATOM 665 C VAL A 44 3.441 -11.055 -10.378 1.00 35.34 C ATOM 666 O VAL A 44 3.471 -10.290 -11.343 1.00 53.03 O ATOM 667 CB VAL A 44 1.583 -12.719 -10.463 1.00 24.15 C ATOM 668 CG1 VAL A 44 1.053 -12.126 -9.167 1.00 52.41 C ATOM 669 CG2 VAL A 44 0.892 -12.094 -11.666 1.00 35.24 C ATOM 0 H VAL A 44 3.313 -13.466 -8.696 1.00 63.24 H new ATOM 0 HA VAL A 44 3.443 -12.859 -11.545 1.00 52.32 H new ATOM 0 HB VAL A 44 1.365 -13.787 -10.461 1.00 24.15 H new ATOM 0 HG11 VAL A 44 -0.027 -12.268 -9.117 1.00 52.41 H new ATOM 0 HG12 VAL A 44 1.525 -12.624 -8.320 1.00 52.41 H new ATOM 0 HG13 VAL A 44 1.280 -11.060 -9.135 1.00 52.41 H new ATOM 0 HG21 VAL A 44 -0.185 -12.235 -11.581 1.00 35.24 H new ATOM 0 HG22 VAL A 44 1.117 -11.028 -11.701 1.00 35.24 H new ATOM 0 HG23 VAL A 44 1.249 -12.570 -12.579 1.00 35.24 H new ATOM 679 N VAL A 45 3.691 -10.660 -9.134 1.00 74.11 N ATOM 680 CA VAL A 45 4.024 -9.275 -8.824 1.00 11.55 C ATOM 681 C VAL A 45 5.256 -8.820 -9.597 1.00 15.54 C ATOM 682 O VAL A 45 5.442 -7.628 -9.845 1.00 52.14 O ATOM 683 CB VAL A 45 4.276 -9.081 -7.317 1.00 74.31 C ATOM 684 CG1 VAL A 45 5.734 -9.353 -6.980 1.00 63.14 C ATOM 685 CG2 VAL A 45 3.873 -7.679 -6.885 1.00 21.10 C ATOM 0 H VAL A 45 3.669 -11.280 -8.324 1.00 74.11 H new ATOM 0 HA VAL A 45 3.168 -8.670 -9.122 1.00 11.55 H new ATOM 0 HB VAL A 45 3.662 -9.796 -6.769 1.00 74.31 H new ATOM 0 HG11 VAL A 45 5.893 -9.211 -5.911 1.00 63.14 H new ATOM 0 HG12 VAL A 45 5.985 -10.379 -7.251 1.00 63.14 H new ATOM 0 HG13 VAL A 45 6.370 -8.665 -7.536 1.00 63.14 H new ATOM 0 HG21 VAL A 45 4.058 -7.560 -5.817 1.00 21.10 H new ATOM 0 HG22 VAL A 45 4.459 -6.945 -7.439 1.00 21.10 H new ATOM 0 HG23 VAL A 45 2.813 -7.526 -7.089 1.00 21.10 H new ATOM 695 N GLY A 46 6.098 -9.776 -9.976 1.00 25.31 N ATOM 696 CA GLY A 46 7.303 -9.454 -10.718 1.00 12.32 C ATOM 697 C GLY A 46 7.153 -9.706 -12.206 1.00 3.52 C ATOM 698 O GLY A 46 8.141 -9.906 -12.911 1.00 71.01 O ATOM 0 H GLY A 46 5.967 -10.769 -9.782 1.00 25.31 H new ATOM 0 HA2 GLY A 46 7.558 -8.407 -10.554 1.00 12.32 H new ATOM 0 HA3 GLY A 46 8.132 -10.048 -10.334 1.00 12.32 H new ATOM 702 N SER A 47 5.912 -9.696 -12.683 1.00 53.01 N ATOM 703 CA SER A 47 5.637 -9.930 -14.096 1.00 23.54 C ATOM 704 C SER A 47 4.575 -8.962 -14.609 1.00 23.22 C ATOM 705 O SER A 47 4.682 -8.437 -15.719 1.00 42.12 O ATOM 706 CB SER A 47 5.176 -11.372 -14.315 1.00 64.05 C ATOM 707 OG SER A 47 6.209 -12.290 -14.001 1.00 61.13 O ATOM 0 H SER A 47 5.083 -9.529 -12.113 1.00 53.01 H new ATOM 0 HA SER A 47 6.558 -9.762 -14.654 1.00 23.54 H new ATOM 0 HB2 SER A 47 4.303 -11.576 -13.695 1.00 64.05 H new ATOM 0 HB3 SER A 47 4.869 -11.506 -15.352 1.00 64.05 H new ATOM 0 HG SER A 47 5.889 -13.205 -14.147 1.00 61.13 H new ATOM 713 N ILE A 48 3.550 -8.731 -13.795 1.00 14.22 N ATOM 714 CA ILE A 48 2.470 -7.825 -14.166 1.00 72.34 C ATOM 715 C ILE A 48 2.939 -6.374 -14.150 1.00 31.04 C ATOM 716 O ILE A 48 2.282 -5.493 -14.705 1.00 22.32 O ATOM 717 CB ILE A 48 1.263 -7.973 -13.221 1.00 61.52 C ATOM 718 CG1 ILE A 48 1.676 -7.671 -11.779 1.00 13.50 C ATOM 719 CG2 ILE A 48 0.676 -9.372 -13.327 1.00 24.41 C ATOM 720 CD1 ILE A 48 1.524 -6.215 -11.400 1.00 0.12 C ATOM 0 H ILE A 48 3.445 -9.159 -12.875 1.00 14.22 H new ATOM 0 HA ILE A 48 2.165 -8.094 -15.177 1.00 72.34 H new ATOM 0 HB ILE A 48 0.498 -7.255 -13.518 1.00 61.52 H new ATOM 0 HG12 ILE A 48 1.075 -8.279 -11.103 1.00 13.50 H new ATOM 0 HG13 ILE A 48 2.715 -7.969 -11.637 1.00 13.50 H new ATOM 0 HG21 ILE A 48 -0.176 -9.461 -12.653 1.00 24.41 H new ATOM 0 HG22 ILE A 48 0.349 -9.553 -14.351 1.00 24.41 H new ATOM 0 HG23 ILE A 48 1.434 -10.106 -13.053 1.00 24.41 H new ATOM 0 HD11 ILE A 48 1.835 -6.074 -10.365 1.00 0.12 H new ATOM 0 HD12 ILE A 48 2.146 -5.602 -12.052 1.00 0.12 H new ATOM 0 HD13 ILE A 48 0.481 -5.918 -11.509 1.00 0.12 H new ATOM 805 N TRP A 54 -2.411 -2.671 -13.124 1.00 21.54 N ATOM 806 CA TRP A 54 -2.921 -3.978 -12.727 1.00 24.11 C ATOM 807 C TRP A 54 -4.416 -3.912 -12.429 1.00 74.51 C ATOM 808 O TRP A 54 -4.922 -2.888 -11.971 1.00 54.31 O ATOM 809 CB TRP A 54 -2.167 -4.491 -11.499 1.00 62.11 C ATOM 810 CG TRP A 54 -2.484 -5.916 -11.158 1.00 31.24 C ATOM 811 CD1 TRP A 54 -1.765 -7.022 -11.509 1.00 74.12 C ATOM 812 CD2 TRP A 54 -3.605 -6.387 -10.402 1.00 31.34 C ATOM 813 NE1 TRP A 54 -2.371 -8.152 -11.017 1.00 71.14 N ATOM 814 CE2 TRP A 54 -3.502 -7.790 -10.333 1.00 54.34 C ATOM 815 CE3 TRP A 54 -4.686 -5.759 -9.775 1.00 73.55 C ATOM 816 CZ2 TRP A 54 -4.437 -8.573 -9.663 1.00 40.04 C ATOM 817 CZ3 TRP A 54 -5.613 -6.538 -9.110 1.00 31.24 C ATOM 818 CH2 TRP A 54 -5.484 -7.933 -9.058 1.00 0.51 C ATOM 0 HA TRP A 54 -2.764 -4.668 -13.556 1.00 24.11 H new ATOM 0 HB2 TRP A 54 -1.095 -4.397 -11.674 1.00 62.11 H new ATOM 0 HB3 TRP A 54 -2.407 -3.859 -10.644 1.00 62.11 H new ATOM 0 HD1 TRP A 54 -0.854 -7.010 -12.088 1.00 74.12 H new ATOM 0 HE1 TRP A 54 -2.034 -9.107 -11.141 1.00 71.14 H new ATOM 0 HE3 TRP A 54 -4.794 -4.685 -9.810 1.00 73.55 H new ATOM 0 HZ2 TRP A 54 -4.340 -9.648 -9.622 1.00 40.04 H new ATOM 0 HZ3 TRP A 54 -6.452 -6.064 -8.622 1.00 31.24 H new ATOM 0 HH2 TRP A 54 -6.226 -8.514 -8.530 1.00 0.51 H new ATOM 829 N ILE A 55 -5.116 -5.010 -12.694 1.00 1.43 N ATOM 830 CA ILE A 55 -6.552 -5.076 -12.453 1.00 53.32 C ATOM 831 C ILE A 55 -6.956 -6.440 -11.904 1.00 13.30 C ATOM 832 O ILE A 55 -6.142 -7.362 -11.840 1.00 34.14 O ATOM 833 CB ILE A 55 -7.352 -4.795 -13.738 1.00 3.04 C ATOM 834 CG1 ILE A 55 -6.723 -5.525 -14.926 1.00 71.12 C ATOM 835 CG2 ILE A 55 -7.418 -3.299 -14.005 1.00 3.43 C ATOM 836 CD1 ILE A 55 -7.407 -5.236 -16.244 1.00 73.22 C ATOM 0 H ILE A 55 -4.712 -5.865 -13.075 1.00 1.43 H new ATOM 0 HA ILE A 55 -6.783 -4.308 -11.715 1.00 53.32 H new ATOM 0 HB ILE A 55 -8.368 -5.166 -13.603 1.00 3.04 H new ATOM 0 HG12 ILE A 55 -5.673 -5.242 -15.001 1.00 71.12 H new ATOM 0 HG13 ILE A 55 -6.751 -6.598 -14.739 1.00 71.12 H new ATOM 0 HG21 ILE A 55 -7.987 -3.117 -14.917 1.00 3.43 H new ATOM 0 HG22 ILE A 55 -7.906 -2.801 -13.167 1.00 3.43 H new ATOM 0 HG23 ILE A 55 -6.408 -2.906 -14.123 1.00 3.43 H new ATOM 0 HD11 ILE A 55 -6.908 -5.787 -17.041 1.00 73.22 H new ATOM 0 HD12 ILE A 55 -8.451 -5.545 -16.188 1.00 73.22 H new ATOM 0 HD13 ILE A 55 -7.356 -4.168 -16.454 1.00 73.22 H new ATOM 848 N CYS A 56 -8.219 -6.562 -11.509 1.00 52.15 N ATOM 849 CA CYS A 56 -8.733 -7.814 -10.967 1.00 74.20 C ATOM 850 C CYS A 56 -8.658 -8.928 -12.007 1.00 62.35 C ATOM 851 O CYS A 56 -8.118 -10.004 -11.742 1.00 1.15 O ATOM 852 CB CYS A 56 -10.178 -7.636 -10.497 1.00 11.33 C ATOM 853 SG CYS A 56 -10.415 -6.258 -9.330 1.00 44.44 S ATOM 0 H CYS A 56 -8.905 -5.809 -11.554 1.00 52.15 H new ATOM 0 HA CYS A 56 -8.113 -8.094 -10.115 1.00 74.20 H new ATOM 0 HB2 CYS A 56 -10.815 -7.475 -11.367 1.00 11.33 H new ATOM 0 HB3 CYS A 56 -10.512 -8.560 -10.024 1.00 11.33 H new ATOM 0 HG CYS A 56 -11.217 -5.379 -9.854 1.00 44.44 H new ATOM 858 N MET A 57 -9.202 -8.664 -13.190 1.00 41.43 N ATOM 859 CA MET A 57 -9.196 -9.644 -14.270 1.00 52.14 C ATOM 860 C MET A 57 -7.769 -10.048 -14.629 1.00 1.23 C ATOM 861 O MET A 57 -7.543 -11.108 -15.210 1.00 73.15 O ATOM 862 CB MET A 57 -9.906 -9.081 -15.502 1.00 72.11 C ATOM 863 CG MET A 57 -9.342 -7.749 -15.973 1.00 44.33 C ATOM 864 SD MET A 57 -10.624 -6.516 -16.261 1.00 4.24 S ATOM 865 CE MET A 57 -11.020 -6.038 -14.580 1.00 35.41 C ATOM 0 H MET A 57 -9.653 -7.780 -13.425 1.00 41.43 H new ATOM 0 HA MET A 57 -9.730 -10.530 -13.927 1.00 52.14 H new ATOM 0 HB2 MET A 57 -9.835 -9.804 -16.314 1.00 72.11 H new ATOM 0 HB3 MET A 57 -10.965 -8.958 -15.276 1.00 72.11 H new ATOM 0 HG2 MET A 57 -8.641 -7.372 -15.228 1.00 44.33 H new ATOM 0 HG3 MET A 57 -8.778 -7.903 -16.893 1.00 44.33 H new ATOM 0 HE1 MET A 57 -11.433 -5.029 -14.576 1.00 35.41 H new ATOM 0 HE2 MET A 57 -11.753 -6.731 -14.168 1.00 35.41 H new ATOM 0 HE3 MET A 57 -10.116 -6.062 -13.972 1.00 35.41 H new ATOM 875 N ASN A 58 -6.812 -9.195 -14.280 1.00 24.05 N ATOM 876 CA ASN A 58 -5.407 -9.463 -14.567 1.00 2.24 C ATOM 877 C ASN A 58 -4.810 -10.405 -13.527 1.00 20.41 C ATOM 878 O ASN A 58 -3.691 -10.892 -13.686 1.00 22.31 O ATOM 879 CB ASN A 58 -4.614 -8.155 -14.603 1.00 3.25 C ATOM 880 CG ASN A 58 -4.462 -7.609 -16.010 1.00 53.34 C ATOM 881 OD1 ASN A 58 -3.380 -7.174 -16.404 1.00 14.44 O ATOM 882 ND2 ASN A 58 -5.547 -7.632 -16.775 1.00 44.34 N ATOM 0 H ASN A 58 -6.983 -8.312 -13.798 1.00 24.05 H new ATOM 0 HA ASN A 58 -5.346 -9.944 -15.543 1.00 2.24 H new ATOM 0 HB2 ASN A 58 -5.114 -7.413 -13.980 1.00 3.25 H new ATOM 0 HB3 ASN A 58 -3.627 -8.320 -14.172 1.00 3.25 H new ATOM 0 HD21 ASN A 58 -5.504 -7.280 -17.731 1.00 44.34 H new ATOM 0 HD22 ASN A 58 -6.423 -8.002 -16.406 1.00 44.34 H new ATOM 889 N ASN A 59 -5.564 -10.658 -12.462 1.00 20.24 N ATOM 890 CA ASN A 59 -5.110 -11.542 -11.396 1.00 14.00 C ATOM 891 C ASN A 59 -4.773 -12.926 -11.943 1.00 24.43 C ATOM 892 O ASN A 59 -5.387 -13.391 -12.904 1.00 1.13 O ATOM 893 CB ASN A 59 -6.180 -11.657 -10.308 1.00 34.53 C ATOM 894 CG ASN A 59 -5.625 -12.199 -9.006 1.00 54.25 C ATOM 895 OD1 ASN A 59 -4.410 -12.253 -8.810 1.00 20.33 O ATOM 896 ND2 ASN A 59 -6.515 -12.604 -8.107 1.00 15.24 N ATOM 0 H ASN A 59 -6.493 -10.263 -12.315 1.00 20.24 H new ATOM 0 HA ASN A 59 -4.207 -11.112 -10.963 1.00 14.00 H new ATOM 0 HB2 ASN A 59 -6.621 -10.676 -10.131 1.00 34.53 H new ATOM 0 HB3 ASN A 59 -6.981 -12.309 -10.657 1.00 34.53 H new ATOM 0 HD21 ASN A 59 -6.201 -12.978 -7.211 1.00 15.24 H new ATOM 0 HD22 ASN A 59 -7.512 -12.541 -8.312 1.00 15.24 H new ATOM 903 N SER A 60 -3.797 -13.581 -11.324 1.00 55.53 N ATOM 904 CA SER A 60 -3.377 -14.910 -11.750 1.00 64.15 C ATOM 905 C SER A 60 -4.435 -15.952 -11.397 1.00 73.33 C ATOM 906 O SER A 60 -4.519 -17.005 -12.030 1.00 31.40 O ATOM 907 CB SER A 60 -2.043 -15.280 -11.098 1.00 60.13 C ATOM 908 OG SER A 60 -1.260 -16.087 -11.962 1.00 12.30 O ATOM 0 H SER A 60 -3.282 -13.212 -10.525 1.00 55.53 H new ATOM 0 HA SER A 60 -3.252 -14.896 -12.833 1.00 64.15 H new ATOM 0 HB2 SER A 60 -1.494 -14.373 -10.845 1.00 60.13 H new ATOM 0 HB3 SER A 60 -2.226 -15.812 -10.164 1.00 60.13 H new ATOM 0 HG SER A 60 -0.412 -16.309 -11.523 1.00 12.30 H new ATOM 914 N ASP A 61 -5.238 -15.651 -10.384 1.00 40.33 N ATOM 915 CA ASP A 61 -6.291 -16.561 -9.946 1.00 11.03 C ATOM 916 C ASP A 61 -7.380 -16.683 -11.009 1.00 53.13 C ATOM 917 O ASP A 61 -7.239 -16.168 -12.119 1.00 42.42 O ATOM 918 CB ASP A 61 -6.900 -16.074 -8.630 1.00 64.35 C ATOM 919 CG ASP A 61 -7.025 -17.185 -7.606 1.00 60.24 C ATOM 920 OD1 ASP A 61 -6.064 -17.970 -7.461 1.00 20.31 O ATOM 921 OD2 ASP A 61 -8.083 -17.271 -6.949 1.00 43.54 O ATOM 0 H ASP A 61 -5.181 -14.784 -9.850 1.00 40.33 H new ATOM 0 HA ASP A 61 -5.847 -17.544 -9.791 1.00 11.03 H new ATOM 0 HB2 ASP A 61 -6.283 -15.274 -8.221 1.00 64.35 H new ATOM 0 HB3 ASP A 61 -7.885 -15.649 -8.824 1.00 64.35 H new ATOM 926 N LYS A 62 -8.462 -17.370 -10.663 1.00 1.04 N ATOM 927 CA LYS A 62 -9.575 -17.561 -11.585 1.00 72.41 C ATOM 928 C LYS A 62 -10.897 -17.167 -10.934 1.00 61.13 C ATOM 929 O LYS A 62 -11.772 -16.592 -11.580 1.00 11.13 O ATOM 930 CB LYS A 62 -9.637 -19.018 -12.048 1.00 31.11 C ATOM 931 CG LYS A 62 -9.457 -20.021 -10.922 1.00 73.41 C ATOM 932 CD LYS A 62 -8.153 -20.788 -11.061 1.00 73.13 C ATOM 933 CE LYS A 62 -7.772 -21.482 -9.762 1.00 41.10 C ATOM 934 NZ LYS A 62 -7.706 -22.961 -9.922 1.00 74.21 N ATOM 0 H LYS A 62 -8.592 -17.805 -9.749 1.00 1.04 H new ATOM 0 HA LYS A 62 -9.411 -16.918 -12.450 1.00 72.41 H new ATOM 0 HB2 LYS A 62 -10.597 -19.196 -12.532 1.00 31.11 H new ATOM 0 HB3 LYS A 62 -8.865 -19.185 -12.799 1.00 31.11 H new ATOM 0 HG2 LYS A 62 -9.474 -19.501 -9.964 1.00 73.41 H new ATOM 0 HG3 LYS A 62 -10.293 -20.720 -10.920 1.00 73.41 H new ATOM 0 HD2 LYS A 62 -8.248 -21.528 -11.856 1.00 73.13 H new ATOM 0 HD3 LYS A 62 -7.357 -20.104 -11.356 1.00 73.13 H new ATOM 0 HE2 LYS A 62 -6.806 -21.110 -9.421 1.00 41.10 H new ATOM 0 HE3 LYS A 62 -8.500 -21.232 -8.990 1.00 41.10 H new ATOM 0 HZ1 LYS A 62 -7.443 -23.397 -9.015 1.00 74.21 H new ATOM 0 HZ2 LYS A 62 -8.635 -23.319 -10.222 1.00 74.21 H new ATOM 0 HZ3 LYS A 62 -6.993 -23.201 -10.640 1.00 74.21 H new ATOM 948 N ARG A 63 -11.034 -17.480 -9.649 1.00 12.33 N ATOM 949 CA ARG A 63 -12.249 -17.158 -8.910 1.00 74.42 C ATOM 950 C ARG A 63 -12.192 -15.733 -8.366 1.00 65.24 C ATOM 951 O ARG A 63 -13.224 -15.129 -8.073 1.00 21.02 O ATOM 952 CB ARG A 63 -12.448 -18.148 -7.760 1.00 21.05 C ATOM 953 CG ARG A 63 -13.422 -19.269 -8.084 1.00 74.54 C ATOM 954 CD ARG A 63 -12.691 -20.539 -8.495 1.00 42.32 C ATOM 955 NE ARG A 63 -13.047 -21.673 -7.647 1.00 43.35 N ATOM 956 CZ ARG A 63 -12.364 -22.812 -7.618 1.00 62.23 C ATOM 957 NH1 ARG A 63 -11.294 -22.967 -8.384 1.00 30.45 N ATOM 958 NH2 ARG A 63 -12.751 -23.799 -6.819 1.00 73.01 N ATOM 0 H ARG A 63 -10.319 -17.956 -9.099 1.00 12.33 H new ATOM 0 HA ARG A 63 -13.093 -17.233 -9.595 1.00 74.42 H new ATOM 0 HB2 ARG A 63 -11.484 -18.581 -7.494 1.00 21.05 H new ATOM 0 HB3 ARG A 63 -12.807 -17.607 -6.884 1.00 21.05 H new ATOM 0 HG2 ARG A 63 -14.047 -19.472 -7.214 1.00 74.54 H new ATOM 0 HG3 ARG A 63 -14.087 -18.954 -8.888 1.00 74.54 H new ATOM 0 HD2 ARG A 63 -12.928 -20.774 -9.533 1.00 42.32 H new ATOM 0 HD3 ARG A 63 -11.615 -20.371 -8.443 1.00 42.32 H new ATOM 0 HE ARG A 63 -13.865 -21.586 -7.044 1.00 43.35 H new ATOM 0 HH11 ARG A 63 -10.993 -22.211 -8.998 1.00 30.45 H new ATOM 0 HH12 ARG A 63 -10.772 -23.843 -8.359 1.00 30.45 H new ATOM 0 HH21 ARG A 63 -13.573 -23.683 -6.227 1.00 73.01 H new ATOM 0 HH22 ARG A 63 -12.226 -24.673 -6.797 1.00 73.01 H new ATOM 972 N PHE A 64 -10.981 -15.204 -8.232 1.00 33.33 N ATOM 973 CA PHE A 64 -10.791 -13.851 -7.722 1.00 60.32 C ATOM 974 C PHE A 64 -10.125 -12.963 -8.769 1.00 70.24 C ATOM 975 O PHE A 64 -9.523 -11.942 -8.440 1.00 74.24 O ATOM 976 CB PHE A 64 -9.944 -13.880 -6.448 1.00 2.32 C ATOM 977 CG PHE A 64 -10.758 -13.971 -5.189 1.00 44.15 C ATOM 978 CD1 PHE A 64 -11.755 -14.925 -5.061 1.00 23.42 C ATOM 979 CD2 PHE A 64 -10.526 -13.104 -4.133 1.00 64.13 C ATOM 980 CE1 PHE A 64 -12.506 -15.013 -3.904 1.00 1.05 C ATOM 981 CE2 PHE A 64 -11.274 -13.189 -2.974 1.00 54.50 C ATOM 982 CZ PHE A 64 -12.266 -14.143 -2.859 1.00 22.02 C ATOM 0 H PHE A 64 -10.117 -15.691 -8.469 1.00 33.33 H new ATOM 0 HA PHE A 64 -11.771 -13.435 -7.490 1.00 60.32 H new ATOM 0 HB2 PHE A 64 -9.263 -14.730 -6.493 1.00 2.32 H new ATOM 0 HB3 PHE A 64 -9.329 -12.981 -6.409 1.00 2.32 H new ATOM 0 HD1 PHE A 64 -11.947 -15.608 -5.875 1.00 23.42 H new ATOM 0 HD2 PHE A 64 -9.753 -12.354 -4.217 1.00 64.13 H new ATOM 0 HE1 PHE A 64 -13.280 -15.761 -3.817 1.00 1.05 H new ATOM 0 HE2 PHE A 64 -11.083 -12.509 -2.157 1.00 54.50 H new ATOM 0 HZ PHE A 64 -12.852 -14.208 -1.954 1.00 22.02 H new ATOM 992 N ALA A 65 -10.238 -13.362 -10.031 1.00 33.33 N ATOM 993 CA ALA A 65 -9.648 -12.603 -11.128 1.00 13.00 C ATOM 994 C ALA A 65 -10.723 -11.898 -11.948 1.00 62.42 C ATOM 995 O ALA A 65 -10.975 -12.258 -13.098 1.00 35.04 O ATOM 996 CB ALA A 65 -8.817 -13.517 -12.016 1.00 5.13 C ATOM 0 H ALA A 65 -10.732 -14.206 -10.320 1.00 33.33 H new ATOM 0 HA ALA A 65 -8.996 -11.841 -10.701 1.00 13.00 H new ATOM 0 HB1 ALA A 65 -8.383 -12.937 -12.830 1.00 5.13 H new ATOM 0 HB2 ALA A 65 -8.019 -13.969 -11.427 1.00 5.13 H new ATOM 0 HB3 ALA A 65 -9.453 -14.301 -12.428 1.00 5.13 H new ATOM 1002 N ASP A 66 -11.355 -10.895 -11.349 1.00 34.13 N ATOM 1003 CA ASP A 66 -12.403 -10.140 -12.025 1.00 11.42 C ATOM 1004 C ASP A 66 -12.927 -9.019 -11.132 1.00 52.12 C ATOM 1005 O ASP A 66 -13.028 -9.176 -9.915 1.00 71.13 O ATOM 1006 CB ASP A 66 -13.551 -11.066 -12.427 1.00 24.40 C ATOM 1007 CG ASP A 66 -13.521 -11.420 -13.900 1.00 74.21 C ATOM 1008 OD1 ASP A 66 -13.262 -10.517 -14.722 1.00 10.50 O ATOM 1009 OD2 ASP A 66 -13.757 -12.601 -14.233 1.00 61.21 O ATOM 0 H ASP A 66 -11.160 -10.586 -10.397 1.00 34.13 H new ATOM 0 HA ASP A 66 -11.974 -9.695 -12.923 1.00 11.42 H new ATOM 0 HB2 ASP A 66 -13.500 -11.980 -11.836 1.00 24.40 H new ATOM 0 HB3 ASP A 66 -14.501 -10.586 -12.191 1.00 24.40 H new ATOM 1014 N CYS A 67 -13.259 -7.887 -11.745 1.00 72.11 N ATOM 1015 CA CYS A 67 -13.770 -6.739 -11.007 1.00 5.22 C ATOM 1016 C CYS A 67 -15.100 -7.071 -10.337 1.00 23.30 C ATOM 1017 O CYS A 67 -15.470 -6.465 -9.332 1.00 51.22 O ATOM 1018 CB CYS A 67 -13.943 -5.541 -11.942 1.00 2.30 C ATOM 1019 SG CYS A 67 -12.508 -4.419 -11.987 1.00 25.43 S ATOM 0 H CYS A 67 -13.183 -7.741 -12.752 1.00 72.11 H new ATOM 0 HA CYS A 67 -13.046 -6.486 -10.232 1.00 5.22 H new ATOM 0 HB2 CYS A 67 -14.137 -5.906 -12.951 1.00 2.30 H new ATOM 0 HB3 CYS A 67 -14.823 -4.976 -11.633 1.00 2.30 H new ATOM 0 HG CYS A 67 -12.324 -3.903 -10.808 1.00 25.43 H new ATOM 1024 N SER A 68 -15.815 -8.039 -10.901 1.00 23.52 N ATOM 1025 CA SER A 68 -17.105 -8.451 -10.362 1.00 44.11 C ATOM 1026 C SER A 68 -16.935 -9.144 -9.014 1.00 41.34 C ATOM 1027 O SER A 68 -17.841 -9.143 -8.181 1.00 2.15 O ATOM 1028 CB SER A 68 -17.818 -9.386 -11.342 1.00 72.41 C ATOM 1029 OG SER A 68 -18.923 -8.742 -11.949 1.00 4.23 O ATOM 0 H SER A 68 -15.522 -8.553 -11.732 1.00 23.52 H new ATOM 0 HA SER A 68 -17.711 -7.557 -10.218 1.00 44.11 H new ATOM 0 HB2 SER A 68 -17.118 -9.715 -12.110 1.00 72.41 H new ATOM 0 HB3 SER A 68 -18.157 -10.279 -10.816 1.00 72.41 H new ATOM 0 HG SER A 68 -19.360 -9.360 -12.572 1.00 4.23 H new ATOM 1035 N LYS A 69 -15.764 -9.737 -8.805 1.00 51.13 N ATOM 1036 CA LYS A 69 -15.470 -10.435 -7.558 1.00 12.34 C ATOM 1037 C LYS A 69 -15.389 -9.453 -6.392 1.00 62.40 C ATOM 1038 O LYS A 69 -15.459 -8.240 -6.584 1.00 24.11 O ATOM 1039 CB LYS A 69 -14.156 -11.208 -7.680 1.00 62.05 C ATOM 1040 CG LYS A 69 -14.069 -12.067 -8.929 1.00 72.33 C ATOM 1041 CD LYS A 69 -15.183 -13.101 -8.973 1.00 11.43 C ATOM 1042 CE LYS A 69 -16.370 -12.605 -9.785 1.00 51.13 C ATOM 1043 NZ LYS A 69 -17.107 -13.726 -10.432 1.00 43.42 N ATOM 0 H LYS A 69 -15.003 -9.748 -9.484 1.00 51.13 H new ATOM 0 HA LYS A 69 -16.280 -11.138 -7.363 1.00 12.34 H new ATOM 0 HB2 LYS A 69 -13.327 -10.501 -7.677 1.00 62.05 H new ATOM 0 HB3 LYS A 69 -14.036 -11.844 -6.803 1.00 62.05 H new ATOM 0 HG2 LYS A 69 -14.125 -11.432 -9.813 1.00 72.33 H new ATOM 0 HG3 LYS A 69 -13.103 -12.570 -8.959 1.00 72.33 H new ATOM 0 HD2 LYS A 69 -14.805 -14.027 -9.407 1.00 11.43 H new ATOM 0 HD3 LYS A 69 -15.506 -13.333 -7.958 1.00 11.43 H new ATOM 0 HE2 LYS A 69 -17.048 -12.051 -9.136 1.00 51.13 H new ATOM 0 HE3 LYS A 69 -16.022 -11.910 -10.549 1.00 51.13 H new ATOM 0 HZ1 LYS A 69 -17.908 -13.347 -10.976 1.00 43.42 H new ATOM 0 HZ2 LYS A 69 -16.467 -14.239 -11.071 1.00 43.42 H new ATOM 0 HZ3 LYS A 69 -17.461 -14.376 -9.701 1.00 43.42 H new ATOM 1057 N SER A 70 -15.239 -9.988 -5.185 1.00 53.33 N ATOM 1058 CA SER A 70 -15.151 -9.159 -3.988 1.00 51.03 C ATOM 1059 C SER A 70 -13.695 -8.924 -3.597 1.00 35.10 C ATOM 1060 O SER A 70 -12.779 -9.435 -4.240 1.00 73.33 O ATOM 1061 CB SER A 70 -15.902 -9.818 -2.829 1.00 50.00 C ATOM 1062 OG SER A 70 -17.272 -9.455 -2.837 1.00 13.25 O ATOM 0 H SER A 70 -15.176 -10.991 -5.010 1.00 53.33 H new ATOM 0 HA SER A 70 -15.611 -8.196 -4.208 1.00 51.03 H new ATOM 0 HB2 SER A 70 -15.809 -10.902 -2.901 1.00 50.00 H new ATOM 0 HB3 SER A 70 -15.449 -9.521 -1.883 1.00 50.00 H new ATOM 0 HG SER A 70 -17.730 -9.890 -2.088 1.00 13.25 H new ATOM 1068 N GLN A 71 -13.491 -8.146 -2.539 1.00 44.31 N ATOM 1069 CA GLN A 71 -12.148 -7.842 -2.061 1.00 73.22 C ATOM 1070 C GLN A 71 -11.544 -9.039 -1.335 1.00 74.04 C ATOM 1071 O GLN A 71 -12.261 -9.939 -0.899 1.00 1.50 O ATOM 1072 CB GLN A 71 -12.176 -6.628 -1.131 1.00 12.14 C ATOM 1073 CG GLN A 71 -10.797 -6.081 -0.802 1.00 0.21 C ATOM 1074 CD GLN A 71 -10.840 -4.651 -0.300 1.00 63.03 C ATOM 1075 OE1 GLN A 71 -11.870 -3.982 -0.385 1.00 22.43 O ATOM 1076 NE2 GLN A 71 -9.719 -4.175 0.228 1.00 12.41 N ATOM 0 H GLN A 71 -14.239 -7.715 -1.996 1.00 44.31 H new ATOM 0 HA GLN A 71 -11.526 -7.613 -2.926 1.00 73.22 H new ATOM 0 HB2 GLN A 71 -12.769 -5.840 -1.594 1.00 12.14 H new ATOM 0 HB3 GLN A 71 -12.679 -6.903 -0.204 1.00 12.14 H new ATOM 0 HG2 GLN A 71 -10.330 -6.713 -0.047 1.00 0.21 H new ATOM 0 HG3 GLN A 71 -10.169 -6.131 -1.691 1.00 0.21 H new ATOM 0 HE21 GLN A 71 -8.888 -4.765 0.278 1.00 12.41 H new ATOM 0 HE22 GLN A 71 -9.688 -3.219 0.583 1.00 12.41 H new ATOM 1085 N GLU A 72 -10.220 -9.043 -1.210 1.00 25.24 N ATOM 1086 CA GLU A 72 -9.521 -10.132 -0.536 1.00 34.54 C ATOM 1087 C GLU A 72 -9.602 -9.976 0.979 1.00 41.10 C ATOM 1088 O GLU A 72 -9.844 -10.944 1.700 1.00 0.13 O ATOM 1089 CB GLU A 72 -8.056 -10.176 -0.978 1.00 44.34 C ATOM 1090 CG GLU A 72 -7.836 -10.921 -2.283 1.00 35.53 C ATOM 1091 CD GLU A 72 -7.642 -12.411 -2.079 1.00 22.34 C ATOM 1092 OE1 GLU A 72 -7.856 -12.887 -0.946 1.00 62.42 O ATOM 1093 OE2 GLU A 72 -7.279 -13.100 -3.056 1.00 44.52 O ATOM 0 H GLU A 72 -9.611 -8.306 -1.566 1.00 25.24 H new ATOM 0 HA GLU A 72 -10.006 -11.068 -0.813 1.00 34.54 H new ATOM 0 HB2 GLU A 72 -7.687 -9.156 -1.085 1.00 44.34 H new ATOM 0 HB3 GLU A 72 -7.463 -10.649 -0.195 1.00 44.34 H new ATOM 0 HG2 GLU A 72 -8.690 -10.756 -2.939 1.00 35.53 H new ATOM 0 HG3 GLU A 72 -6.962 -10.510 -2.788 1.00 35.53 H new ATOM 1100 N MET A 73 -9.399 -8.752 1.454 1.00 75.13 N ATOM 1101 CA MET A 73 -9.450 -8.469 2.883 1.00 4.50 C ATOM 1102 C MET A 73 -10.063 -7.097 3.145 1.00 72.22 C ATOM 1103 O MET A 73 -10.239 -6.300 2.223 1.00 24.24 O ATOM 1104 CB MET A 73 -8.047 -8.538 3.489 1.00 53.12 C ATOM 1105 CG MET A 73 -7.545 -9.957 3.700 1.00 2.21 C ATOM 1106 SD MET A 73 -6.331 -10.074 5.029 1.00 10.41 S ATOM 1107 CE MET A 73 -5.317 -8.638 4.688 1.00 31.22 C ATOM 0 H MET A 73 -9.198 -7.940 0.870 1.00 75.13 H new ATOM 0 HA MET A 73 -10.079 -9.224 3.355 1.00 4.50 H new ATOM 0 HB2 MET A 73 -7.352 -8.009 2.837 1.00 53.12 H new ATOM 0 HB3 MET A 73 -8.047 -8.015 4.446 1.00 53.12 H new ATOM 0 HG2 MET A 73 -8.390 -10.607 3.927 1.00 2.21 H new ATOM 0 HG3 MET A 73 -7.101 -10.323 2.774 1.00 2.21 H new ATOM 0 HE1 MET A 73 -4.431 -8.659 5.323 1.00 31.22 H new ATOM 0 HE2 MET A 73 -5.013 -8.647 3.641 1.00 31.22 H new ATOM 0 HE3 MET A 73 -5.888 -7.732 4.892 1.00 31.22 H new ATOM 1117 N SER A 74 -10.385 -6.827 4.406 1.00 65.32 N ATOM 1118 CA SER A 74 -10.982 -5.553 4.787 1.00 23.13 C ATOM 1119 C SER A 74 -9.910 -4.481 4.959 1.00 41.22 C ATOM 1120 O SER A 74 -8.729 -4.788 5.112 1.00 63.31 O ATOM 1121 CB SER A 74 -11.779 -5.707 6.084 1.00 12.31 C ATOM 1122 OG SER A 74 -12.516 -4.531 6.372 1.00 23.32 O ATOM 0 H SER A 74 -10.242 -7.474 5.181 1.00 65.32 H new ATOM 0 HA SER A 74 -11.657 -5.243 3.989 1.00 23.13 H new ATOM 0 HB2 SER A 74 -12.459 -6.554 5.998 1.00 12.31 H new ATOM 0 HB3 SER A 74 -11.100 -5.925 6.908 1.00 12.31 H new ATOM 0 HG SER A 74 -12.548 -4.394 7.342 1.00 23.32 H new ATOM 1128 N ASN A 75 -10.333 -3.222 4.933 1.00 34.03 N ATOM 1129 CA ASN A 75 -9.410 -2.102 5.084 1.00 51.31 C ATOM 1130 C ASN A 75 -8.618 -2.223 6.383 1.00 25.20 C ATOM 1131 O ASN A 75 -7.426 -1.922 6.425 1.00 63.42 O ATOM 1132 CB ASN A 75 -10.175 -0.777 5.061 1.00 13.20 C ATOM 1133 CG ASN A 75 -9.729 0.128 3.929 1.00 73.54 C ATOM 1134 OD1 ASN A 75 -9.446 1.308 4.137 1.00 24.13 O ATOM 1135 ND2 ASN A 75 -9.662 -0.423 2.722 1.00 3.22 N ATOM 0 H ASN A 75 -11.308 -2.951 4.809 1.00 34.03 H new ATOM 0 HA ASN A 75 -8.710 -2.124 4.249 1.00 51.31 H new ATOM 0 HB2 ASN A 75 -11.242 -0.978 4.963 1.00 13.20 H new ATOM 0 HB3 ASN A 75 -10.034 -0.262 6.011 1.00 13.20 H new ATOM 0 HD21 ASN A 75 -9.367 0.136 1.922 1.00 3.22 H new ATOM 0 HD22 ASN A 75 -9.906 -1.405 2.596 1.00 3.22 H new ATOM 1142 N GLU A 76 -9.291 -2.665 7.441 1.00 25.15 N ATOM 1143 CA GLU A 76 -8.650 -2.824 8.741 1.00 63.43 C ATOM 1144 C GLU A 76 -7.504 -3.829 8.663 1.00 1.10 C ATOM 1145 O GLU A 76 -6.402 -3.566 9.142 1.00 75.51 O ATOM 1146 CB GLU A 76 -9.671 -3.280 9.786 1.00 21.42 C ATOM 1147 CG GLU A 76 -10.450 -4.519 9.376 1.00 20.20 C ATOM 1148 CD GLU A 76 -11.890 -4.487 9.852 1.00 40.03 C ATOM 1149 OE1 GLU A 76 -12.740 -3.928 9.129 1.00 64.20 O ATOM 1150 OE2 GLU A 76 -12.165 -5.021 10.946 1.00 41.13 O ATOM 0 H GLU A 76 -10.279 -2.919 7.423 1.00 25.15 H new ATOM 0 HA GLU A 76 -8.244 -1.857 9.038 1.00 63.43 H new ATOM 0 HB2 GLU A 76 -9.153 -3.481 10.724 1.00 21.42 H new ATOM 0 HB3 GLU A 76 -10.372 -2.467 9.976 1.00 21.42 H new ATOM 0 HG2 GLU A 76 -10.432 -4.612 8.290 1.00 20.20 H new ATOM 0 HG3 GLU A 76 -9.957 -5.404 9.780 1.00 20.20 H new ATOM 1157 N GLU A 77 -7.775 -4.980 8.056 1.00 71.42 N ATOM 1158 CA GLU A 77 -6.766 -6.024 7.916 1.00 63.42 C ATOM 1159 C GLU A 77 -5.598 -5.543 7.061 1.00 51.21 C ATOM 1160 O GLU A 77 -4.439 -5.844 7.347 1.00 42.24 O ATOM 1161 CB GLU A 77 -7.383 -7.280 7.295 1.00 73.23 C ATOM 1162 CG GLU A 77 -8.433 -7.941 8.172 1.00 41.11 C ATOM 1163 CD GLU A 77 -8.403 -9.454 8.079 1.00 25.13 C ATOM 1164 OE1 GLU A 77 -7.553 -10.073 8.752 1.00 43.41 O ATOM 1165 OE2 GLU A 77 -9.230 -10.019 7.332 1.00 14.52 O ATOM 0 H GLU A 77 -8.683 -5.213 7.654 1.00 71.42 H new ATOM 0 HA GLU A 77 -6.390 -6.265 8.910 1.00 63.42 H new ATOM 0 HB2 GLU A 77 -7.834 -7.018 6.338 1.00 73.23 H new ATOM 0 HB3 GLU A 77 -6.591 -7.999 7.087 1.00 73.23 H new ATOM 0 HG2 GLU A 77 -8.276 -7.641 9.208 1.00 41.11 H new ATOM 0 HG3 GLU A 77 -9.421 -7.583 7.882 1.00 41.11 H new ATOM 1172 N ILE A 78 -5.912 -4.792 6.010 1.00 4.41 N ATOM 1173 CA ILE A 78 -4.889 -4.268 5.114 1.00 12.50 C ATOM 1174 C ILE A 78 -4.045 -3.202 5.806 1.00 45.32 C ATOM 1175 O ILE A 78 -2.820 -3.195 5.693 1.00 21.52 O ATOM 1176 CB ILE A 78 -5.511 -3.666 3.841 1.00 11.54 C ATOM 1177 CG1 ILE A 78 -6.351 -4.716 3.111 1.00 53.52 C ATOM 1178 CG2 ILE A 78 -4.424 -3.120 2.927 1.00 0.50 C ATOM 1179 CD1 ILE A 78 -7.364 -4.124 2.156 1.00 1.12 C ATOM 0 H ILE A 78 -6.866 -4.533 5.759 1.00 4.41 H new ATOM 0 HA ILE A 78 -4.253 -5.108 4.836 1.00 12.50 H new ATOM 0 HB ILE A 78 -6.164 -2.842 4.129 1.00 11.54 H new ATOM 0 HG12 ILE A 78 -5.687 -5.380 2.557 1.00 53.52 H new ATOM 0 HG13 ILE A 78 -6.872 -5.328 3.847 1.00 53.52 H new ATOM 0 HG21 ILE A 78 -4.880 -2.698 2.031 1.00 0.50 H new ATOM 0 HG22 ILE A 78 -3.865 -2.344 3.450 1.00 0.50 H new ATOM 0 HG23 ILE A 78 -3.747 -3.926 2.644 1.00 0.50 H new ATOM 0 HD11 ILE A 78 -7.923 -4.927 1.675 1.00 1.12 H new ATOM 0 HD12 ILE A 78 -8.052 -3.483 2.707 1.00 1.12 H new ATOM 0 HD13 ILE A 78 -6.848 -3.535 1.397 1.00 1.12 H new ATOM 1191 N ASN A 79 -4.710 -2.304 6.527 1.00 75.32 N ATOM 1192 CA ASN A 79 -4.020 -1.235 7.240 1.00 20.53 C ATOM 1193 C ASN A 79 -3.071 -1.805 8.290 1.00 1.21 C ATOM 1194 O ASN A 79 -1.936 -1.351 8.425 1.00 3.54 O ATOM 1195 CB ASN A 79 -5.034 -0.301 7.905 1.00 71.23 C ATOM 1196 CG ASN A 79 -4.796 -0.158 9.395 1.00 52.33 C ATOM 1197 OD1 ASN A 79 -4.006 0.680 9.831 1.00 0.32 O ATOM 1198 ND2 ASN A 79 -5.480 -0.977 10.186 1.00 35.43 N ATOM 0 H ASN A 79 -5.724 -2.296 6.633 1.00 75.32 H new ATOM 0 HA ASN A 79 -3.434 -0.668 6.517 1.00 20.53 H new ATOM 0 HB2 ASN A 79 -4.982 0.681 7.435 1.00 71.23 H new ATOM 0 HB3 ASN A 79 -6.041 -0.682 7.735 1.00 71.23 H new ATOM 0 HD21 ASN A 79 -5.361 -0.926 11.198 1.00 35.43 H new ATOM 0 HD22 ASN A 79 -6.124 -1.657 9.782 1.00 35.43 H new ATOM 1205 N GLU A 80 -3.546 -2.802 9.029 1.00 43.43 N ATOM 1206 CA GLU A 80 -2.740 -3.433 10.067 1.00 55.32 C ATOM 1207 C GLU A 80 -1.694 -4.361 9.455 1.00 62.30 C ATOM 1208 O GLU A 80 -0.630 -4.581 10.033 1.00 43.13 O ATOM 1209 CB GLU A 80 -3.631 -4.217 11.031 1.00 43.22 C ATOM 1210 CG GLU A 80 -3.893 -5.649 10.592 1.00 13.34 C ATOM 1211 CD GLU A 80 -2.819 -6.610 11.066 1.00 11.14 C ATOM 1212 OE1 GLU A 80 -1.888 -6.159 11.765 1.00 74.00 O ATOM 1213 OE2 GLU A 80 -2.910 -7.810 10.737 1.00 4.13 O ATOM 0 H GLU A 80 -4.484 -3.190 8.928 1.00 43.43 H new ATOM 0 HA GLU A 80 -2.225 -2.646 10.619 1.00 55.32 H new ATOM 0 HB2 GLU A 80 -3.165 -4.228 12.016 1.00 43.22 H new ATOM 0 HB3 GLU A 80 -4.584 -3.698 11.135 1.00 43.22 H new ATOM 0 HG2 GLU A 80 -4.860 -5.972 10.977 1.00 13.34 H new ATOM 0 HG3 GLU A 80 -3.954 -5.686 9.504 1.00 13.34 H new ATOM 1220 N GLU A 81 -2.007 -4.903 8.282 1.00 14.00 N ATOM 1221 CA GLU A 81 -1.096 -5.808 7.592 1.00 51.43 C ATOM 1222 C GLU A 81 0.166 -5.074 7.145 1.00 13.52 C ATOM 1223 O GLU A 81 1.283 -5.492 7.452 1.00 22.52 O ATOM 1224 CB GLU A 81 -1.787 -6.439 6.382 1.00 23.51 C ATOM 1225 CG GLU A 81 -0.861 -7.288 5.526 1.00 11.43 C ATOM 1226 CD GLU A 81 -1.567 -8.480 4.909 1.00 53.33 C ATOM 1227 OE1 GLU A 81 -2.167 -9.270 5.666 1.00 64.33 O ATOM 1228 OE2 GLU A 81 -1.518 -8.621 3.670 1.00 31.24 O ATOM 0 H GLU A 81 -2.884 -4.731 7.790 1.00 14.00 H new ATOM 0 HA GLU A 81 -0.810 -6.595 8.290 1.00 51.43 H new ATOM 0 HB2 GLU A 81 -2.616 -7.057 6.729 1.00 23.51 H new ATOM 0 HB3 GLU A 81 -2.215 -5.649 5.765 1.00 23.51 H new ATOM 0 HG2 GLU A 81 -0.437 -6.671 4.733 1.00 11.43 H new ATOM 0 HG3 GLU A 81 -0.029 -7.639 6.136 1.00 11.43 H new ATOM 1235 N LEU A 82 -0.021 -3.977 6.419 1.00 33.32 N ATOM 1236 CA LEU A 82 1.101 -3.184 5.928 1.00 64.13 C ATOM 1237 C LEU A 82 1.645 -2.275 7.025 1.00 31.23 C ATOM 1238 O LEU A 82 2.830 -1.944 7.039 1.00 54.45 O ATOM 1239 CB LEU A 82 0.669 -2.347 4.722 1.00 73.04 C ATOM 1240 CG LEU A 82 0.127 -3.126 3.523 1.00 53.21 C ATOM 1241 CD1 LEU A 82 -1.323 -2.755 3.258 1.00 32.15 C ATOM 1242 CD2 LEU A 82 0.981 -2.867 2.290 1.00 45.04 C ATOM 0 H LEU A 82 -0.939 -3.616 6.157 1.00 33.32 H new ATOM 0 HA LEU A 82 1.893 -3.868 5.623 1.00 64.13 H new ATOM 0 HB2 LEU A 82 -0.097 -1.644 5.049 1.00 73.04 H new ATOM 0 HB3 LEU A 82 1.523 -1.757 4.390 1.00 73.04 H new ATOM 0 HG LEU A 82 0.171 -4.190 3.754 1.00 53.21 H new ATOM 0 HD11 LEU A 82 -1.692 -3.319 2.401 1.00 32.15 H new ATOM 0 HD12 LEU A 82 -1.925 -2.992 4.135 1.00 32.15 H new ATOM 0 HD13 LEU A 82 -1.393 -1.688 3.047 1.00 32.15 H new ATOM 0 HD21 LEU A 82 0.581 -3.429 1.446 1.00 45.04 H new ATOM 0 HD22 LEU A 82 0.968 -1.803 2.056 1.00 45.04 H new ATOM 0 HD23 LEU A 82 2.006 -3.184 2.484 1.00 45.04 H new ATOM 1254 N GLY A 83 0.771 -1.875 7.944 1.00 62.25 N ATOM 1255 CA GLY A 83 1.184 -1.010 9.033 1.00 13.20 C ATOM 1256 C GLY A 83 1.025 0.460 8.698 1.00 70.44 C ATOM 1257 O GLY A 83 1.772 1.301 9.198 1.00 13.33 O ATOM 0 H GLY A 83 -0.215 -2.135 7.953 1.00 62.25 H new ATOM 0 HA2 GLY A 83 0.596 -1.243 9.921 1.00 13.20 H new ATOM 0 HA3 GLY A 83 2.226 -1.213 9.279 1.00 13.20 H new ATOM 1261 N ILE A 84 0.051 0.769 7.849 1.00 73.04 N ATOM 1262 CA ILE A 84 -0.202 2.147 7.448 1.00 22.23 C ATOM 1263 C ILE A 84 -1.398 2.727 8.196 1.00 52.11 C ATOM 1264 O ILE A 84 -1.955 2.087 9.086 1.00 42.41 O ATOM 1265 CB ILE A 84 -0.459 2.254 5.932 1.00 10.55 C ATOM 1266 CG1 ILE A 84 -1.718 1.473 5.550 1.00 12.04 C ATOM 1267 CG2 ILE A 84 0.744 1.745 5.154 1.00 51.14 C ATOM 1268 CD1 ILE A 84 -2.055 1.553 4.077 1.00 54.52 C ATOM 0 H ILE A 84 -0.575 0.084 7.426 1.00 73.04 H new ATOM 0 HA ILE A 84 0.692 2.718 7.699 1.00 22.23 H new ATOM 0 HB ILE A 84 -0.614 3.302 5.677 1.00 10.55 H new ATOM 0 HG12 ILE A 84 -1.585 0.427 5.828 1.00 12.04 H new ATOM 0 HG13 ILE A 84 -2.561 1.852 6.128 1.00 12.04 H new ATOM 0 HG21 ILE A 84 0.547 1.827 4.085 1.00 51.14 H new ATOM 0 HG22 ILE A 84 1.620 2.341 5.408 1.00 51.14 H new ATOM 0 HG23 ILE A 84 0.928 0.702 5.410 1.00 51.14 H new ATOM 0 HD11 ILE A 84 -2.959 0.976 3.879 1.00 54.52 H new ATOM 0 HD12 ILE A 84 -2.220 2.594 3.797 1.00 54.52 H new ATOM 0 HD13 ILE A 84 -1.230 1.147 3.492 1.00 54.52 H new ATOM 1280 N GLY A 85 -1.787 3.944 7.828 1.00 34.33 N ATOM 1281 CA GLY A 85 -2.915 4.590 8.473 1.00 72.44 C ATOM 1282 C GLY A 85 -4.042 4.893 7.505 1.00 30.40 C ATOM 1283 O GLY A 85 -4.433 6.047 7.343 1.00 23.24 O ATOM 0 H GLY A 85 -1.341 4.494 7.094 1.00 34.33 H new ATOM 0 HA2 GLY A 85 -3.289 3.949 9.272 1.00 72.44 H new ATOM 0 HA3 GLY A 85 -2.581 5.517 8.939 1.00 72.44 H new ATOM 1287 N GLN A 86 -4.561 3.853 6.860 1.00 21.03 N ATOM 1288 CA GLN A 86 -5.648 4.015 5.901 1.00 30.30 C ATOM 1289 C GLN A 86 -6.801 4.803 6.513 1.00 43.44 C ATOM 1290 O GLN A 86 -6.935 4.879 7.736 1.00 32.43 O ATOM 1291 CB GLN A 86 -6.144 2.648 5.425 1.00 14.40 C ATOM 1292 CG GLN A 86 -5.591 2.240 4.069 1.00 64.45 C ATOM 1293 CD GLN A 86 -5.853 0.781 3.748 1.00 53.32 C ATOM 1294 OE1 GLN A 86 -6.753 0.161 4.313 1.00 41.02 O ATOM 1295 NE2 GLN A 86 -5.063 0.225 2.837 1.00 71.50 N ATOM 0 H GLN A 86 -4.247 2.890 6.984 1.00 21.03 H new ATOM 0 HA GLN A 86 -5.265 4.572 5.046 1.00 30.30 H new ATOM 0 HB2 GLN A 86 -5.869 1.894 6.162 1.00 14.40 H new ATOM 0 HB3 GLN A 86 -7.233 2.663 5.375 1.00 14.40 H new ATOM 0 HG2 GLN A 86 -6.038 2.864 3.295 1.00 64.45 H new ATOM 0 HG3 GLN A 86 -4.517 2.426 4.048 1.00 64.45 H new ATOM 0 HE21 GLN A 86 -4.329 0.777 2.393 1.00 71.50 H new ATOM 0 HE22 GLN A 86 -5.190 -0.754 2.581 1.00 71.50 H new