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= 0.0194 K(o=-3.3,f=-0.56) USER MOD Set 1.2: A 86 GLN : amide:sc= -3.34! K(o=-3.3!,f=-0.56) USER MOD Set 2.1: A 31 CYS SG : rot 146:sc= 0.498 USER MOD Set 2.2: A 34 CYS SG : rot -56:sc= 0.605 USER MOD Set 2.3: A 56 CYS SG : rot 116:sc= 0.132 USER MOD Set 2.4: A 57 MET CE :methyl 153:sc= -1.68 (180deg=-1.95!) USER MOD Set 2.5: A 67 CYS SG : rot -66:sc= 0.226 USER MOD Single : A 26 SER OG : rot 10:sc= 0.472 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= -2.46 K(o=-2.5,f=-0.83) USER MOD Single : A 59 ASN : amide:sc= 0.0144 K(o=0.014,f=-3.8!) 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= 0.105 USER MOD Single : A 71 GLN : amide:sc= -3.1 K(o=-3.1,f=-4.9!) USER MOD Single : A 73 MET CE :methyl -137:sc= -4.25 (180deg=-6.13!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.258 K(o=-0.26,f=0.77) USER MOD ----------------------------------------------------------------- ATOM 366 N SER A 26 4.057 -12.509 -0.791 1.00 51.02 N ATOM 367 CA SER A 26 2.854 -11.937 -1.383 1.00 72.01 C ATOM 368 C SER A 26 2.882 -10.413 -1.305 1.00 13.11 C ATOM 369 O SER A 26 3.152 -9.840 -0.251 1.00 42.53 O ATOM 370 CB SER A 26 1.608 -12.472 -0.676 1.00 63.21 C ATOM 371 OG SER A 26 1.793 -13.815 -0.263 1.00 20.33 O ATOM 0 HA SER A 26 2.821 -12.229 -2.433 1.00 72.01 H new ATOM 0 HB2 SER A 26 1.382 -11.850 0.190 1.00 63.21 H new ATOM 0 HB3 SER A 26 0.751 -12.409 -1.346 1.00 63.21 H new ATOM 0 HG SER A 26 2.735 -14.063 -0.370 1.00 20.33 H new ATOM 377 N ALA A 27 2.601 -9.765 -2.431 1.00 12.54 N ATOM 378 CA ALA A 27 2.592 -8.308 -2.491 1.00 74.21 C ATOM 379 C ALA A 27 1.172 -7.774 -2.647 1.00 50.12 C ATOM 380 O ALA A 27 0.266 -8.502 -3.054 1.00 12.22 O ATOM 381 CB ALA A 27 3.470 -7.822 -3.635 1.00 64.30 C ATOM 0 H ALA A 27 2.377 -10.225 -3.313 1.00 12.54 H new ATOM 0 HA ALA A 27 2.994 -7.927 -1.552 1.00 74.21 H new ATOM 0 HB1 ALA A 27 3.454 -6.733 -3.668 1.00 64.30 H new ATOM 0 HB2 ALA A 27 4.493 -8.166 -3.480 1.00 64.30 H new ATOM 0 HB3 ALA A 27 3.093 -8.219 -4.577 1.00 64.30 H new ATOM 387 N TRP A 28 0.985 -6.500 -2.320 1.00 72.25 N ATOM 388 CA TRP A 28 -0.326 -5.870 -2.423 1.00 24.32 C ATOM 389 C TRP A 28 -0.429 -5.033 -3.693 1.00 3.11 C ATOM 390 O TRP A 28 0.459 -4.237 -3.998 1.00 10.12 O ATOM 391 CB TRP A 28 -0.591 -4.995 -1.197 1.00 1.45 C ATOM 392 CG TRP A 28 -1.025 -5.774 0.007 1.00 14.50 C ATOM 393 CD1 TRP A 28 -0.309 -5.977 1.153 1.00 60.11 C ATOM 394 CD2 TRP A 28 -2.271 -6.456 0.184 1.00 1.14 C ATOM 395 NE1 TRP A 28 -1.036 -6.744 2.032 1.00 73.51 N ATOM 396 CE2 TRP A 28 -2.243 -7.049 1.461 1.00 50.25 C ATOM 397 CE3 TRP A 28 -3.408 -6.620 -0.610 1.00 23.55 C ATOM 398 CZ2 TRP A 28 -3.309 -7.796 1.958 1.00 55.13 C ATOM 399 CZ3 TRP A 28 -4.465 -7.361 -0.116 1.00 62.23 C ATOM 400 CH2 TRP A 28 -4.410 -7.941 1.158 1.00 11.21 C ATOM 0 H TRP A 28 1.724 -5.884 -1.982 1.00 72.25 H new ATOM 0 HA TRP A 28 -1.078 -6.658 -2.468 1.00 24.32 H new ATOM 0 HB2 TRP A 28 0.315 -4.439 -0.954 1.00 1.45 H new ATOM 0 HB3 TRP A 28 -1.359 -4.262 -1.442 1.00 1.45 H new ATOM 0 HD1 TRP A 28 0.682 -5.592 1.341 1.00 60.11 H new ATOM 0 HE1 TRP A 28 -0.727 -7.038 2.959 1.00 73.51 H new ATOM 0 HE3 TRP A 28 -3.460 -6.176 -1.593 1.00 23.55 H new ATOM 0 HZ2 TRP A 28 -3.268 -8.245 2.940 1.00 55.13 H new ATOM 0 HZ3 TRP A 28 -5.348 -7.495 -0.723 1.00 62.23 H new ATOM 0 HH2 TRP A 28 -5.253 -8.514 1.516 1.00 11.21 H new ATOM 411 N VAL A 29 -1.519 -5.217 -4.432 1.00 45.23 N ATOM 412 CA VAL A 29 -1.738 -4.478 -5.669 1.00 62.10 C ATOM 413 C VAL A 29 -3.141 -3.883 -5.712 1.00 10.43 C ATOM 414 O VAL A 29 -4.100 -4.493 -5.239 1.00 13.44 O ATOM 415 CB VAL A 29 -1.535 -5.376 -6.903 1.00 22.42 C ATOM 416 CG1 VAL A 29 -2.526 -6.531 -6.892 1.00 44.00 C ATOM 417 CG2 VAL A 29 -1.668 -4.562 -8.182 1.00 65.52 C ATOM 0 H VAL A 29 -2.264 -5.872 -4.195 1.00 45.23 H new ATOM 0 HA VAL A 29 -1.004 -3.673 -5.691 1.00 62.10 H new ATOM 0 HB VAL A 29 -0.528 -5.792 -6.866 1.00 22.42 H new ATOM 0 HG11 VAL A 29 -2.367 -7.155 -7.772 1.00 44.00 H new ATOM 0 HG12 VAL A 29 -2.379 -7.128 -5.992 1.00 44.00 H new ATOM 0 HG13 VAL A 29 -3.543 -6.138 -6.904 1.00 44.00 H new ATOM 0 HG21 VAL A 29 -1.522 -5.213 -9.044 1.00 65.52 H new ATOM 0 HG22 VAL A 29 -2.662 -4.117 -8.228 1.00 65.52 H new ATOM 0 HG23 VAL A 29 -0.916 -3.773 -8.191 1.00 65.52 H new ATOM 427 N ARG A 30 -3.253 -2.687 -6.283 1.00 43.12 N ATOM 428 CA ARG A 30 -4.539 -2.008 -6.387 1.00 42.52 C ATOM 429 C ARG A 30 -5.050 -2.029 -7.824 1.00 72.42 C ATOM 430 O ARG A 30 -4.273 -1.913 -8.773 1.00 42.41 O ATOM 431 CB ARG A 30 -4.418 -0.564 -5.898 1.00 13.12 C ATOM 432 CG ARG A 30 -5.753 0.152 -5.777 1.00 25.42 C ATOM 433 CD ARG A 30 -5.679 1.569 -6.326 1.00 73.24 C ATOM 434 NE ARG A 30 -5.479 1.584 -7.773 1.00 52.21 N ATOM 435 CZ ARG A 30 -5.093 2.659 -8.450 1.00 2.31 C ATOM 436 NH1 ARG A 30 -4.866 3.801 -7.814 1.00 31.44 N ATOM 437 NH2 ARG A 30 -4.933 2.595 -9.766 1.00 25.10 N ATOM 0 H ARG A 30 -2.469 -2.169 -6.680 1.00 43.12 H new ATOM 0 HA ARG A 30 -5.254 -2.539 -5.758 1.00 42.52 H new ATOM 0 HB2 ARG A 30 -3.923 -0.559 -4.927 1.00 13.12 H new ATOM 0 HB3 ARG A 30 -3.779 -0.009 -6.585 1.00 13.12 H new ATOM 0 HG2 ARG A 30 -6.517 -0.408 -6.316 1.00 25.42 H new ATOM 0 HG3 ARG A 30 -6.057 0.182 -4.731 1.00 25.42 H new ATOM 0 HD2 ARG A 30 -6.598 2.101 -6.081 1.00 73.24 H new ATOM 0 HD3 ARG A 30 -4.862 2.104 -5.841 1.00 73.24 H new ATOM 0 HE ARG A 30 -5.645 0.722 -8.292 1.00 52.21 H new ATOM 0 HH11 ARG A 30 -4.988 3.855 -6.803 1.00 31.44 H new ATOM 0 HH12 ARG A 30 -4.570 4.625 -8.336 1.00 31.44 H new ATOM 0 HH21 ARG A 30 -5.107 1.719 -10.259 1.00 25.10 H new ATOM 0 HH22 ARG A 30 -4.636 3.422 -10.284 1.00 25.10 H new ATOM 451 N CYS A 31 -6.361 -2.179 -7.978 1.00 31.12 N ATOM 452 CA CYS A 31 -6.977 -2.216 -9.299 1.00 22.24 C ATOM 453 C CYS A 31 -7.070 -0.815 -9.896 1.00 64.00 C ATOM 454 O CYS A 31 -7.349 0.155 -9.189 1.00 13.51 O ATOM 455 CB CYS A 31 -8.371 -2.842 -9.218 1.00 32.01 C ATOM 456 SG CYS A 31 -9.223 -2.972 -10.823 1.00 43.44 S ATOM 0 H CYS A 31 -7.018 -2.277 -7.204 1.00 31.12 H new ATOM 0 HA CYS A 31 -6.349 -2.827 -9.948 1.00 22.24 H new ATOM 0 HB2 CYS A 31 -8.286 -3.838 -8.783 1.00 32.01 H new ATOM 0 HB3 CYS A 31 -8.985 -2.249 -8.540 1.00 32.01 H new ATOM 0 HG CYS A 31 -9.947 -4.052 -10.844 1.00 43.44 H new ATOM 461 N ASP A 32 -6.837 -0.716 -11.200 1.00 24.43 N ATOM 462 CA ASP A 32 -6.897 0.566 -11.892 1.00 25.43 C ATOM 463 C ASP A 32 -8.241 0.744 -12.593 1.00 61.25 C ATOM 464 O ASP A 32 -8.310 1.279 -13.698 1.00 31.15 O ATOM 465 CB ASP A 32 -5.760 0.673 -12.910 1.00 2.21 C ATOM 466 CG ASP A 32 -5.097 2.036 -12.895 1.00 5.44 C ATOM 467 OD1 ASP A 32 -5.802 3.043 -13.118 1.00 62.20 O ATOM 468 OD2 ASP A 32 -3.872 2.097 -12.659 1.00 62.01 O ATOM 0 H ASP A 32 -6.605 -1.508 -11.799 1.00 24.43 H new ATOM 0 HA ASP A 32 -6.787 1.357 -11.150 1.00 25.43 H new ATOM 0 HB2 ASP A 32 -5.014 -0.093 -12.699 1.00 2.21 H new ATOM 0 HB3 ASP A 32 -6.150 0.472 -13.908 1.00 2.21 H new ATOM 473 N ASP A 33 -9.306 0.289 -11.942 1.00 45.33 N ATOM 474 CA ASP A 33 -10.649 0.398 -12.501 1.00 75.10 C ATOM 475 C ASP A 33 -11.684 0.589 -11.397 1.00 55.15 C ATOM 476 O ASP A 33 -12.602 1.399 -11.526 1.00 64.33 O ATOM 477 CB ASP A 33 -10.984 -0.848 -13.323 1.00 51.33 C ATOM 478 CG ASP A 33 -12.094 -0.599 -14.324 1.00 74.31 C ATOM 479 OD1 ASP A 33 -13.138 -0.040 -13.928 1.00 23.21 O ATOM 480 OD2 ASP A 33 -11.918 -0.963 -15.506 1.00 15.02 O ATOM 0 H ASP A 33 -9.266 -0.159 -11.027 1.00 45.33 H new ATOM 0 HA ASP A 33 -10.675 1.272 -13.152 1.00 75.10 H new ATOM 0 HB2 ASP A 33 -10.091 -1.183 -13.851 1.00 51.33 H new ATOM 0 HB3 ASP A 33 -11.278 -1.655 -12.651 1.00 51.33 H new ATOM 485 N CYS A 34 -11.529 -0.162 -10.312 1.00 64.31 N ATOM 486 CA CYS A 34 -12.451 -0.078 -9.185 1.00 34.52 C ATOM 487 C CYS A 34 -11.727 0.386 -7.924 1.00 21.23 C ATOM 488 O CYS A 34 -12.358 0.707 -6.917 1.00 50.41 O ATOM 489 CB CYS A 34 -13.113 -1.435 -8.938 1.00 54.54 C ATOM 490 SG CYS A 34 -11.954 -2.741 -8.415 1.00 64.14 S ATOM 0 H CYS A 34 -10.773 -0.836 -10.189 1.00 64.31 H new ATOM 0 HA CYS A 34 -13.221 0.654 -9.431 1.00 34.52 H new ATOM 0 HB2 CYS A 34 -13.882 -1.319 -8.174 1.00 54.54 H new ATOM 0 HB3 CYS A 34 -13.616 -1.754 -9.851 1.00 54.54 H new ATOM 0 HG CYS A 34 -11.003 -2.855 -9.294 1.00 64.14 H new ATOM 495 N PHE A 35 -10.401 0.418 -7.989 1.00 10.13 N ATOM 496 CA PHE A 35 -9.590 0.842 -6.853 1.00 2.04 C ATOM 497 C PHE A 35 -9.834 -0.058 -5.645 1.00 53.04 C ATOM 498 O PHE A 35 -10.451 0.354 -4.662 1.00 70.41 O ATOM 499 CB PHE A 35 -9.903 2.296 -6.490 1.00 52.21 C ATOM 500 CG PHE A 35 -9.073 3.294 -7.245 1.00 52.55 C ATOM 501 CD1 PHE A 35 -9.011 3.258 -8.629 1.00 21.12 C ATOM 502 CD2 PHE A 35 -8.353 4.267 -6.571 1.00 15.43 C ATOM 503 CE1 PHE A 35 -8.247 4.175 -9.326 1.00 31.05 C ATOM 504 CE2 PHE A 35 -7.586 5.187 -7.263 1.00 45.31 C ATOM 505 CZ PHE A 35 -7.534 5.141 -8.642 1.00 65.22 C ATOM 0 H PHE A 35 -9.864 0.156 -8.816 1.00 10.13 H new ATOM 0 HA PHE A 35 -8.541 0.763 -7.138 1.00 2.04 H new ATOM 0 HB2 PHE A 35 -10.958 2.492 -6.684 1.00 52.21 H new ATOM 0 HB3 PHE A 35 -9.744 2.438 -5.421 1.00 52.21 H new ATOM 0 HD1 PHE A 35 -9.566 2.505 -9.169 1.00 21.12 H new ATOM 0 HD2 PHE A 35 -8.391 4.308 -5.492 1.00 15.43 H new ATOM 0 HE1 PHE A 35 -8.207 4.137 -10.405 1.00 31.05 H new ATOM 0 HE2 PHE A 35 -7.029 5.940 -6.726 1.00 45.31 H new ATOM 0 HZ PHE A 35 -6.937 5.859 -9.185 1.00 65.22 H new ATOM 515 N LYS A 36 -9.345 -1.291 -5.726 1.00 4.11 N ATOM 516 CA LYS A 36 -9.507 -2.252 -4.642 1.00 43.12 C ATOM 517 C LYS A 36 -8.208 -3.009 -4.386 1.00 52.53 C ATOM 518 O LYS A 36 -7.467 -3.322 -5.318 1.00 20.44 O ATOM 519 CB LYS A 36 -10.629 -3.239 -4.971 1.00 53.44 C ATOM 520 CG LYS A 36 -11.451 -3.651 -3.762 1.00 23.33 C ATOM 521 CD LYS A 36 -12.549 -2.643 -3.467 1.00 3.01 C ATOM 522 CE LYS A 36 -13.479 -3.136 -2.369 1.00 71.34 C ATOM 523 NZ LYS A 36 -14.910 -3.043 -2.769 1.00 4.04 N ATOM 0 H LYS A 36 -8.833 -1.648 -6.532 1.00 4.11 H new ATOM 0 HA LYS A 36 -9.769 -1.701 -3.739 1.00 43.12 H new ATOM 0 HB2 LYS A 36 -11.290 -2.791 -5.713 1.00 53.44 H new ATOM 0 HB3 LYS A 36 -10.196 -4.130 -5.426 1.00 53.44 H new ATOM 0 HG2 LYS A 36 -11.893 -4.632 -3.938 1.00 23.33 H new ATOM 0 HG3 LYS A 36 -10.800 -3.746 -2.893 1.00 23.33 H new ATOM 0 HD2 LYS A 36 -12.103 -1.694 -3.168 1.00 3.01 H new ATOM 0 HD3 LYS A 36 -13.123 -2.454 -4.374 1.00 3.01 H new ATOM 0 HE2 LYS A 36 -13.237 -4.171 -2.126 1.00 71.34 H new ATOM 0 HE3 LYS A 36 -13.316 -2.549 -1.465 1.00 71.34 H new ATOM 0 HZ1 LYS A 36 -15.510 -3.389 -1.993 1.00 4.04 H new ATOM 0 HZ2 LYS A 36 -15.149 -2.052 -2.977 1.00 4.04 H new ATOM 0 HZ3 LYS A 36 -15.072 -3.623 -3.617 1.00 4.04 H new ATOM 537 N TRP A 37 -7.938 -3.300 -3.119 1.00 73.12 N ATOM 538 CA TRP A 37 -6.728 -4.022 -2.742 1.00 70.53 C ATOM 539 C TRP A 37 -6.817 -5.487 -3.156 1.00 1.30 C ATOM 540 O TRP A 37 -7.874 -6.109 -3.047 1.00 40.05 O ATOM 541 CB TRP A 37 -6.496 -3.918 -1.233 1.00 62.54 C ATOM 542 CG TRP A 37 -5.676 -2.728 -0.839 1.00 22.35 C ATOM 543 CD1 TRP A 37 -5.988 -1.795 0.109 1.00 23.42 C ATOM 544 CD2 TRP A 37 -4.410 -2.341 -1.383 1.00 34.52 C ATOM 545 NE1 TRP A 37 -4.992 -0.852 0.186 1.00 41.14 N ATOM 546 CE2 TRP A 37 -4.012 -1.165 -0.718 1.00 32.22 C ATOM 547 CE3 TRP A 37 -3.572 -2.875 -2.367 1.00 1.55 C ATOM 548 CZ2 TRP A 37 -2.815 -0.515 -1.007 1.00 31.42 C ATOM 549 CZ3 TRP A 37 -2.384 -2.228 -2.652 1.00 71.24 C ATOM 550 CH2 TRP A 37 -2.014 -1.060 -1.974 1.00 2.21 C ATOM 0 H TRP A 37 -8.540 -3.047 -2.335 1.00 73.12 H new ATOM 0 HA TRP A 37 -5.886 -3.567 -3.264 1.00 70.53 H new ATOM 0 HB2 TRP A 37 -7.460 -3.869 -0.727 1.00 62.54 H new ATOM 0 HB3 TRP A 37 -5.999 -4.824 -0.886 1.00 62.54 H new ATOM 0 HD1 TRP A 37 -6.886 -1.798 0.710 1.00 23.42 H new ATOM 0 HE1 TRP A 37 -4.984 -0.049 0.815 1.00 41.14 H new ATOM 0 HE3 TRP A 37 -3.848 -3.776 -2.895 1.00 1.55 H new ATOM 0 HZ2 TRP A 37 -2.529 0.387 -0.487 1.00 31.42 H new ATOM 0 HZ3 TRP A 37 -1.730 -2.631 -3.411 1.00 71.24 H new ATOM 0 HH2 TRP A 37 -1.078 -0.580 -2.219 1.00 2.21 H new ATOM 561 N ARG A 38 -5.702 -6.033 -3.629 1.00 53.22 N ATOM 562 CA ARG A 38 -5.655 -7.425 -4.059 1.00 15.44 C ATOM 563 C ARG A 38 -4.317 -8.062 -3.697 1.00 54.32 C ATOM 564 O ARG A 38 -3.257 -7.559 -4.071 1.00 71.31 O ATOM 565 CB ARG A 38 -5.886 -7.522 -5.569 1.00 75.14 C ATOM 566 CG ARG A 38 -6.832 -8.642 -5.969 1.00 65.10 C ATOM 567 CD ARG A 38 -8.285 -8.247 -5.753 1.00 34.33 C ATOM 568 NE ARG A 38 -9.200 -9.081 -6.530 1.00 1.50 N ATOM 569 CZ ARG A 38 -10.441 -8.720 -6.835 1.00 60.15 C ATOM 570 NH1 ARG A 38 -10.914 -7.549 -6.433 1.00 13.54 N ATOM 571 NH2 ARG A 38 -11.213 -9.534 -7.545 1.00 20.53 N ATOM 0 H ARG A 38 -4.818 -5.532 -3.724 1.00 53.22 H new ATOM 0 HA ARG A 38 -6.447 -7.966 -3.541 1.00 15.44 H new ATOM 0 HB2 ARG A 38 -6.286 -6.574 -5.929 1.00 75.14 H new ATOM 0 HB3 ARG A 38 -4.928 -7.672 -6.066 1.00 75.14 H new ATOM 0 HG2 ARG A 38 -6.675 -8.896 -7.017 1.00 65.10 H new ATOM 0 HG3 ARG A 38 -6.606 -9.536 -5.387 1.00 65.10 H new ATOM 0 HD2 ARG A 38 -8.530 -8.330 -4.694 1.00 34.33 H new ATOM 0 HD3 ARG A 38 -8.422 -7.202 -6.031 1.00 34.33 H new ATOM 0 HE ARG A 38 -8.868 -9.989 -6.855 1.00 1.50 H new ATOM 0 HH11 ARG A 38 -10.324 -6.921 -5.887 1.00 13.54 H new ATOM 0 HH12 ARG A 38 -11.868 -7.276 -6.670 1.00 13.54 H new ATOM 0 HH21 ARG A 38 -10.853 -10.436 -7.856 1.00 20.53 H new ATOM 0 HH22 ARG A 38 -12.166 -9.257 -7.780 1.00 20.53 H new ATOM 585 N ARG A 39 -4.374 -9.170 -2.966 1.00 11.42 N ATOM 586 CA ARG A 39 -3.166 -9.875 -2.551 1.00 0.13 C ATOM 587 C ARG A 39 -2.709 -10.851 -3.630 1.00 15.31 C ATOM 588 O ARG A 39 -3.430 -11.784 -3.983 1.00 24.52 O ATOM 589 CB ARG A 39 -3.413 -10.624 -1.240 1.00 53.10 C ATOM 590 CG ARG A 39 -2.147 -10.882 -0.439 1.00 73.00 C ATOM 591 CD ARG A 39 -2.169 -12.258 0.209 1.00 52.31 C ATOM 592 NE ARG A 39 -1.441 -12.277 1.475 1.00 45.33 N ATOM 593 CZ ARG A 39 -1.254 -13.375 2.199 1.00 72.35 C ATOM 594 NH1 ARG A 39 -1.739 -14.537 1.782 1.00 75.05 N ATOM 595 NH2 ARG A 39 -0.581 -13.314 3.340 1.00 11.51 N ATOM 0 H ARG A 39 -5.243 -9.599 -2.649 1.00 11.42 H new ATOM 0 HA ARG A 39 -2.379 -9.137 -2.397 1.00 0.13 H new ATOM 0 HB2 ARG A 39 -4.109 -10.050 -0.629 1.00 53.10 H new ATOM 0 HB3 ARG A 39 -3.894 -11.577 -1.461 1.00 53.10 H new ATOM 0 HG2 ARG A 39 -1.279 -10.800 -1.093 1.00 73.00 H new ATOM 0 HG3 ARG A 39 -2.040 -10.118 0.331 1.00 73.00 H new ATOM 0 HD2 ARG A 39 -3.202 -12.562 0.380 1.00 52.31 H new ATOM 0 HD3 ARG A 39 -1.731 -12.987 -0.473 1.00 52.31 H new ATOM 0 HE ARG A 39 -1.055 -11.399 1.822 1.00 45.33 H new ATOM 0 HH11 ARG A 39 -2.256 -14.588 0.904 1.00 75.05 H new ATOM 0 HH12 ARG A 39 -1.595 -15.379 2.339 1.00 75.05 H new ATOM 0 HH21 ARG A 39 -0.206 -12.423 3.664 1.00 11.51 H new ATOM 0 HH22 ARG A 39 -0.439 -14.159 3.894 1.00 11.51 H new ATOM 609 N ILE A 40 -1.505 -10.630 -4.150 1.00 43.11 N ATOM 610 CA ILE A 40 -0.952 -11.491 -5.187 1.00 13.15 C ATOM 611 C ILE A 40 0.391 -12.073 -4.761 1.00 2.24 C ATOM 612 O ILE A 40 1.120 -11.491 -3.956 1.00 31.14 O ATOM 613 CB ILE A 40 -0.771 -10.728 -6.514 1.00 41.34 C ATOM 614 CG1 ILE A 40 0.419 -9.771 -6.417 1.00 34.33 C ATOM 615 CG2 ILE A 40 -2.041 -9.969 -6.865 1.00 2.13 C ATOM 616 CD1 ILE A 40 0.602 -8.909 -7.648 1.00 52.11 C ATOM 0 H ILE A 40 -0.895 -9.862 -3.869 1.00 43.11 H new ATOM 0 HA ILE A 40 -1.665 -12.302 -5.337 1.00 13.15 H new ATOM 0 HB ILE A 40 -0.571 -11.448 -7.307 1.00 41.34 H new ATOM 0 HG12 ILE A 40 0.287 -9.126 -5.548 1.00 34.33 H new ATOM 0 HG13 ILE A 40 1.328 -10.349 -6.250 1.00 34.33 H new ATOM 0 HG21 ILE A 40 -1.898 -9.435 -7.804 1.00 2.13 H new ATOM 0 HG22 ILE A 40 -2.868 -10.672 -6.969 1.00 2.13 H new ATOM 0 HG23 ILE A 40 -2.269 -9.255 -6.073 1.00 2.13 H new ATOM 0 HD11 ILE A 40 1.463 -8.255 -7.510 1.00 52.11 H new ATOM 0 HD12 ILE A 40 0.766 -9.546 -8.517 1.00 52.11 H new ATOM 0 HD13 ILE A 40 -0.291 -8.304 -7.805 1.00 52.11 H new ATOM 628 N PRO A 41 0.729 -13.247 -5.311 1.00 72.53 N ATOM 629 CA PRO A 41 1.988 -13.933 -5.005 1.00 23.20 C ATOM 630 C PRO A 41 3.199 -13.205 -5.577 1.00 14.12 C ATOM 631 O PRO A 41 3.076 -12.425 -6.521 1.00 14.24 O ATOM 632 CB PRO A 41 1.820 -15.300 -5.673 1.00 35.54 C ATOM 633 CG PRO A 41 0.843 -15.065 -6.775 1.00 50.52 C ATOM 634 CD PRO A 41 -0.092 -13.997 -6.277 1.00 32.13 C ATOM 0 HA PRO A 41 2.171 -13.988 -3.932 1.00 23.20 H new ATOM 0 HB2 PRO A 41 2.769 -15.672 -6.058 1.00 35.54 H new ATOM 0 HB3 PRO A 41 1.449 -16.043 -4.967 1.00 35.54 H new ATOM 0 HG2 PRO A 41 1.351 -14.746 -7.685 1.00 50.52 H new ATOM 0 HG3 PRO A 41 0.299 -15.978 -7.016 1.00 50.52 H new ATOM 0 HD2 PRO A 41 -0.441 -13.359 -7.088 1.00 32.13 H new ATOM 0 HD3 PRO A 41 -0.976 -14.425 -5.805 1.00 32.13 H new ATOM 642 N ALA A 42 4.368 -13.466 -5.001 1.00 71.13 N ATOM 643 CA ALA A 42 5.602 -12.837 -5.456 1.00 63.33 C ATOM 644 C ALA A 42 6.001 -13.347 -6.837 1.00 63.13 C ATOM 645 O ALA A 42 6.894 -12.794 -7.479 1.00 62.42 O ATOM 646 CB ALA A 42 6.721 -13.085 -4.456 1.00 60.43 C ATOM 0 H ALA A 42 4.486 -14.109 -4.218 1.00 71.13 H new ATOM 0 HA ALA A 42 5.428 -11.764 -5.530 1.00 63.33 H new ATOM 0 HB1 ALA A 42 7.636 -12.610 -4.809 1.00 60.43 H new ATOM 0 HB2 ALA A 42 6.444 -12.666 -3.489 1.00 60.43 H new ATOM 0 HB3 ALA A 42 6.886 -14.158 -4.353 1.00 60.43 H new ATOM 652 N SER A 43 5.335 -14.406 -7.286 1.00 34.04 N ATOM 653 CA SER A 43 5.624 -14.994 -8.590 1.00 51.14 C ATOM 654 C SER A 43 5.023 -14.151 -9.710 1.00 35.31 C ATOM 655 O SER A 43 5.611 -14.016 -10.784 1.00 71.41 O ATOM 656 CB SER A 43 5.079 -16.422 -8.661 1.00 22.40 C ATOM 657 OG SER A 43 6.102 -17.342 -8.997 1.00 41.21 O ATOM 0 H SER A 43 4.592 -14.874 -6.767 1.00 34.04 H new ATOM 0 HA SER A 43 6.706 -15.020 -8.719 1.00 51.14 H new ATOM 0 HB2 SER A 43 4.641 -16.695 -7.701 1.00 22.40 H new ATOM 0 HB3 SER A 43 4.281 -16.474 -9.402 1.00 22.40 H new ATOM 0 HG SER A 43 5.729 -18.247 -9.034 1.00 41.21 H new ATOM 663 N VAL A 44 3.847 -13.587 -9.454 1.00 71.44 N ATOM 664 CA VAL A 44 3.166 -12.757 -10.439 1.00 31.34 C ATOM 665 C VAL A 44 3.526 -11.286 -10.263 1.00 23.01 C ATOM 666 O VAL A 44 3.590 -10.531 -11.232 1.00 0.51 O ATOM 667 CB VAL A 44 1.637 -12.915 -10.346 1.00 45.04 C ATOM 668 CG1 VAL A 44 1.119 -12.332 -9.040 1.00 42.13 C ATOM 669 CG2 VAL A 44 0.959 -12.258 -11.539 1.00 14.31 C ATOM 0 H VAL A 44 3.346 -13.690 -8.572 1.00 71.44 H new ATOM 0 HA VAL A 44 3.499 -13.094 -11.420 1.00 31.34 H new ATOM 0 HB VAL A 44 1.398 -13.978 -10.362 1.00 45.04 H new ATOM 0 HG11 VAL A 44 0.037 -12.453 -8.992 1.00 42.13 H new ATOM 0 HG12 VAL A 44 1.580 -12.853 -8.201 1.00 42.13 H new ATOM 0 HG13 VAL A 44 1.369 -11.272 -8.990 1.00 42.13 H new ATOM 0 HG21 VAL A 44 -0.121 -12.380 -11.456 1.00 14.31 H new ATOM 0 HG22 VAL A 44 1.204 -11.196 -11.558 1.00 14.31 H new ATOM 0 HG23 VAL A 44 1.307 -12.727 -12.459 1.00 14.31 H new ATOM 679 N VAL A 45 3.760 -10.886 -9.017 1.00 5.41 N ATOM 680 CA VAL A 45 4.114 -9.505 -8.711 1.00 55.42 C ATOM 681 C VAL A 45 5.386 -9.090 -9.444 1.00 4.22 C ATOM 682 O VAL A 45 5.609 -7.907 -9.699 1.00 71.35 O ATOM 683 CB VAL A 45 4.317 -9.299 -7.198 1.00 61.11 C ATOM 684 CG1 VAL A 45 5.758 -9.593 -6.807 1.00 43.22 C ATOM 685 CG2 VAL A 45 3.924 -7.886 -6.796 1.00 22.23 C ATOM 0 H VAL A 45 3.711 -11.499 -8.203 1.00 5.41 H new ATOM 0 HA VAL A 45 3.284 -8.883 -9.046 1.00 55.42 H new ATOM 0 HB VAL A 45 3.672 -9.997 -6.664 1.00 61.11 H new ATOM 0 HG11 VAL A 45 5.882 -9.442 -5.735 1.00 43.22 H new ATOM 0 HG12 VAL A 45 6.000 -10.626 -7.058 1.00 43.22 H new ATOM 0 HG13 VAL A 45 6.426 -8.922 -7.347 1.00 43.22 H new ATOM 0 HG21 VAL A 45 4.074 -7.758 -5.724 1.00 22.23 H new ATOM 0 HG22 VAL A 45 4.541 -7.169 -7.337 1.00 22.23 H new ATOM 0 HG23 VAL A 45 2.875 -7.717 -7.039 1.00 22.23 H new ATOM 695 N GLY A 46 6.217 -10.072 -9.781 1.00 42.32 N ATOM 696 CA GLY A 46 7.455 -9.789 -10.481 1.00 34.11 C ATOM 697 C GLY A 46 7.302 -9.872 -11.987 1.00 64.34 C ATOM 698 O GLY A 46 8.288 -9.996 -12.712 1.00 52.42 O ATOM 0 H GLY A 46 6.054 -11.059 -9.581 1.00 42.32 H new ATOM 0 HA2 GLY A 46 7.803 -8.793 -10.209 1.00 34.11 H new ATOM 0 HA3 GLY A 46 8.221 -10.494 -10.157 1.00 34.11 H new ATOM 702 N SER A 47 6.060 -9.805 -12.458 1.00 54.33 N ATOM 703 CA SER A 47 5.781 -9.880 -13.887 1.00 31.42 C ATOM 704 C SER A 47 4.675 -8.904 -14.276 1.00 24.34 C ATOM 705 O SER A 47 4.756 -8.234 -15.305 1.00 12.13 O ATOM 706 CB SER A 47 5.380 -11.305 -14.276 1.00 33.25 C ATOM 707 OG SER A 47 6.294 -11.854 -15.210 1.00 22.30 O ATOM 0 H SER A 47 5.232 -9.699 -11.871 1.00 54.33 H new ATOM 0 HA SER A 47 6.689 -9.606 -14.425 1.00 31.42 H new ATOM 0 HB2 SER A 47 5.344 -11.932 -13.385 1.00 33.25 H new ATOM 0 HB3 SER A 47 4.377 -11.300 -14.703 1.00 33.25 H new ATOM 0 HG SER A 47 6.017 -12.765 -15.442 1.00 22.30 H new ATOM 713 N ILE A 48 3.641 -8.831 -13.444 1.00 24.14 N ATOM 714 CA ILE A 48 2.518 -7.937 -13.699 1.00 13.44 C ATOM 715 C ILE A 48 2.858 -6.502 -13.307 1.00 73.42 C ATOM 716 O ILE A 48 2.262 -5.552 -13.815 1.00 24.43 O ATOM 717 CB ILE A 48 1.259 -8.381 -12.933 1.00 63.31 C ATOM 718 CG1 ILE A 48 1.554 -8.479 -11.435 1.00 71.11 C ATOM 719 CG2 ILE A 48 0.757 -9.714 -13.467 1.00 11.02 C ATOM 720 CD1 ILE A 48 0.831 -7.440 -10.607 1.00 12.11 C ATOM 0 H ILE A 48 3.558 -9.380 -12.588 1.00 24.14 H new ATOM 0 HA ILE A 48 2.316 -7.982 -14.769 1.00 13.44 H new ATOM 0 HB ILE A 48 0.479 -7.634 -13.082 1.00 63.31 H new ATOM 0 HG12 ILE A 48 1.274 -9.472 -11.082 1.00 71.11 H new ATOM 0 HG13 ILE A 48 2.627 -8.375 -11.277 1.00 71.11 H new ATOM 0 HG21 ILE A 48 -0.134 -10.015 -12.915 1.00 11.02 H new ATOM 0 HG22 ILE A 48 0.512 -9.613 -14.524 1.00 11.02 H new ATOM 0 HG23 ILE A 48 1.532 -10.470 -13.344 1.00 11.02 H new ATOM 0 HD11 ILE A 48 1.087 -7.570 -9.556 1.00 12.11 H new ATOM 0 HD12 ILE A 48 1.129 -6.443 -10.933 1.00 12.11 H new ATOM 0 HD13 ILE A 48 -0.245 -7.557 -10.735 1.00 12.11 H new ATOM 805 N TRP A 54 -2.839 -2.339 -14.012 1.00 14.41 N ATOM 806 CA TRP A 54 -3.278 -3.633 -13.502 1.00 52.04 C ATOM 807 C TRP A 54 -4.759 -3.603 -13.143 1.00 44.11 C ATOM 808 O TRP A 54 -5.303 -2.552 -12.802 1.00 14.21 O ATOM 809 CB TRP A 54 -2.451 -4.029 -12.277 1.00 21.42 C ATOM 810 CG TRP A 54 -2.710 -5.431 -11.815 1.00 54.41 C ATOM 811 CD1 TRP A 54 -2.010 -6.551 -12.164 1.00 53.23 C ATOM 812 CD2 TRP A 54 -3.740 -5.862 -10.919 1.00 33.32 C ATOM 813 NE1 TRP A 54 -2.544 -7.652 -11.539 1.00 24.31 N ATOM 814 CE2 TRP A 54 -3.606 -7.256 -10.770 1.00 42.30 C ATOM 815 CE3 TRP A 54 -4.762 -5.205 -10.229 1.00 42.01 C ATOM 816 CZ2 TRP A 54 -4.456 -8.002 -9.958 1.00 61.12 C ATOM 817 CZ3 TRP A 54 -5.606 -5.948 -9.424 1.00 55.30 C ATOM 818 CH2 TRP A 54 -5.448 -7.334 -9.294 1.00 24.41 C ATOM 0 HA TRP A 54 -3.129 -4.374 -14.287 1.00 52.04 H new ATOM 0 HB2 TRP A 54 -1.392 -3.921 -12.512 1.00 21.42 H new ATOM 0 HB3 TRP A 54 -2.669 -3.339 -11.462 1.00 21.42 H new ATOM 0 HD1 TRP A 54 -1.162 -6.568 -12.833 1.00 53.23 H new ATOM 0 HE1 TRP A 54 -2.204 -8.609 -11.633 1.00 24.31 H new ATOM 0 HE3 TRP A 54 -4.890 -4.137 -10.323 1.00 42.01 H new ATOM 0 HZ2 TRP A 54 -4.336 -9.070 -9.856 1.00 61.12 H new ATOM 0 HZ3 TRP A 54 -6.400 -5.451 -8.886 1.00 55.30 H new ATOM 0 HH2 TRP A 54 -6.123 -7.886 -8.657 1.00 24.41 H new ATOM 829 N ILE A 55 -5.406 -4.761 -13.221 1.00 20.22 N ATOM 830 CA ILE A 55 -6.825 -4.865 -12.902 1.00 71.11 C ATOM 831 C ILE A 55 -7.160 -6.241 -12.335 1.00 1.13 C ATOM 832 O ILE A 55 -6.375 -7.181 -12.452 1.00 52.25 O ATOM 833 CB ILE A 55 -7.701 -4.606 -14.143 1.00 41.23 C ATOM 834 CG1 ILE A 55 -7.113 -5.313 -15.366 1.00 64.52 C ATOM 835 CG2 ILE A 55 -7.829 -3.112 -14.398 1.00 51.42 C ATOM 836 CD1 ILE A 55 -7.880 -5.049 -16.643 1.00 50.02 C ATOM 0 H ILE A 55 -4.971 -5.640 -13.502 1.00 20.22 H new ATOM 0 HA ILE A 55 -7.038 -4.103 -12.152 1.00 71.11 H new ATOM 0 HB ILE A 55 -8.696 -5.010 -13.958 1.00 41.23 H new ATOM 0 HG12 ILE A 55 -6.080 -4.992 -15.499 1.00 64.52 H new ATOM 0 HG13 ILE A 55 -7.092 -6.387 -15.180 1.00 64.52 H new ATOM 0 HG21 ILE A 55 -8.451 -2.945 -15.278 1.00 51.42 H new ATOM 0 HG22 ILE A 55 -8.288 -2.633 -13.533 1.00 51.42 H new ATOM 0 HG23 ILE A 55 -6.840 -2.686 -14.566 1.00 51.42 H new ATOM 0 HD11 ILE A 55 -7.407 -5.581 -17.468 1.00 50.02 H new ATOM 0 HD12 ILE A 55 -8.907 -5.396 -16.529 1.00 50.02 H new ATOM 0 HD13 ILE A 55 -7.879 -3.979 -16.853 1.00 50.02 H new ATOM 848 N CYS A 56 -8.334 -6.350 -11.721 1.00 61.34 N ATOM 849 CA CYS A 56 -8.776 -7.610 -11.136 1.00 71.13 C ATOM 850 C CYS A 56 -8.750 -8.731 -12.172 1.00 54.41 C ATOM 851 O CYS A 56 -8.179 -9.795 -11.936 1.00 13.02 O ATOM 852 CB CYS A 56 -10.187 -7.463 -10.563 1.00 72.21 C ATOM 853 SG CYS A 56 -10.362 -6.113 -9.353 1.00 74.14 S ATOM 0 H CYS A 56 -8.996 -5.581 -11.616 1.00 61.34 H new ATOM 0 HA CYS A 56 -8.089 -7.868 -10.330 1.00 71.13 H new ATOM 0 HB2 CYS A 56 -10.885 -7.294 -11.383 1.00 72.21 H new ATOM 0 HB3 CYS A 56 -10.474 -8.401 -10.088 1.00 72.21 H new ATOM 0 HG CYS A 56 -11.179 -5.216 -9.819 1.00 74.14 H new ATOM 858 N MET A 57 -9.372 -8.482 -13.320 1.00 31.41 N ATOM 859 CA MET A 57 -9.418 -9.469 -14.392 1.00 33.44 C ATOM 860 C MET A 57 -8.012 -9.847 -14.845 1.00 73.13 C ATOM 861 O MET A 57 -7.804 -10.905 -15.437 1.00 11.40 O ATOM 862 CB MET A 57 -10.219 -8.926 -15.579 1.00 51.11 C ATOM 863 CG MET A 57 -9.719 -7.583 -16.085 1.00 22.24 C ATOM 864 SD MET A 57 -11.054 -6.397 -16.338 1.00 41.44 S ATOM 865 CE MET A 57 -11.390 -5.902 -14.650 1.00 44.20 C ATOM 0 H MET A 57 -9.850 -7.606 -13.531 1.00 31.41 H new ATOM 0 HA MET A 57 -9.909 -10.363 -14.008 1.00 33.44 H new ATOM 0 HB2 MET A 57 -10.181 -9.649 -16.394 1.00 51.11 H new ATOM 0 HB3 MET A 57 -11.265 -8.829 -15.287 1.00 51.11 H new ATOM 0 HG2 MET A 57 -9.004 -7.173 -15.371 1.00 22.24 H new ATOM 0 HG3 MET A 57 -9.184 -7.729 -17.024 1.00 22.24 H new ATOM 0 HE1 MET A 57 -11.803 -4.893 -14.642 1.00 44.20 H new ATOM 0 HE2 MET A 57 -12.108 -6.591 -14.205 1.00 44.20 H new ATOM 0 HE3 MET A 57 -10.465 -5.920 -14.074 1.00 44.20 H new ATOM 875 N ASN A 58 -7.049 -8.976 -14.561 1.00 2.10 N ATOM 876 CA ASN A 58 -5.661 -9.219 -14.939 1.00 23.31 C ATOM 877 C ASN A 58 -4.948 -10.056 -13.882 1.00 60.12 C ATOM 878 O ASN A 58 -3.825 -10.512 -14.091 1.00 44.32 O ATOM 879 CB ASN A 58 -4.925 -7.892 -15.139 1.00 45.33 C ATOM 880 CG ASN A 58 -4.949 -7.429 -16.582 1.00 3.12 C ATOM 881 OD1 ASN A 58 -3.933 -6.995 -17.123 1.00 15.15 O ATOM 882 ND2 ASN A 58 -6.114 -7.519 -17.213 1.00 70.21 N ATOM 0 H ASN A 58 -7.204 -8.095 -14.070 1.00 2.10 H new ATOM 0 HA ASN A 58 -5.658 -9.773 -15.878 1.00 23.31 H new ATOM 0 HB2 ASN A 58 -5.380 -7.129 -14.508 1.00 45.33 H new ATOM 0 HB3 ASN A 58 -3.891 -8.001 -14.812 1.00 45.33 H new ATOM 0 HD21 ASN A 58 -6.191 -7.222 -18.186 1.00 70.21 H new ATOM 0 HD22 ASN A 58 -6.931 -7.885 -16.725 1.00 70.21 H new ATOM 889 N ASN A 59 -5.609 -10.253 -12.746 1.00 70.23 N ATOM 890 CA ASN A 59 -5.039 -11.035 -11.656 1.00 43.15 C ATOM 891 C ASN A 59 -4.631 -12.425 -12.137 1.00 25.34 C ATOM 892 O ASN A 59 -5.235 -12.975 -13.059 1.00 4.53 O ATOM 893 CB ASN A 59 -6.043 -11.155 -10.506 1.00 75.41 C ATOM 894 CG ASN A 59 -5.408 -11.692 -9.238 1.00 1.13 C ATOM 895 OD1 ASN A 59 -4.184 -11.739 -9.115 1.00 32.12 O ATOM 896 ND2 ASN A 59 -6.240 -12.098 -8.287 1.00 70.35 N ATOM 0 H ASN A 59 -6.540 -9.882 -12.557 1.00 70.23 H new ATOM 0 HA ASN A 59 -4.148 -10.518 -11.299 1.00 43.15 H new ATOM 0 HB2 ASN A 59 -6.479 -10.177 -10.304 1.00 75.41 H new ATOM 0 HB3 ASN A 59 -6.859 -11.812 -10.807 1.00 75.41 H new ATOM 0 HD21 ASN A 59 -5.871 -12.467 -7.411 1.00 70.35 H new ATOM 0 HD22 ASN A 59 -7.248 -12.041 -8.433 1.00 70.35 H new ATOM 903 N SER A 60 -3.604 -12.986 -11.507 1.00 23.13 N ATOM 904 CA SER A 60 -3.114 -14.309 -11.874 1.00 52.24 C ATOM 905 C SER A 60 -4.126 -15.387 -11.497 1.00 2.41 C ATOM 906 O SER A 60 -4.242 -16.409 -12.173 1.00 22.53 O ATOM 907 CB SER A 60 -1.776 -14.588 -11.187 1.00 62.02 C ATOM 908 OG SER A 60 -0.960 -15.430 -11.983 1.00 1.30 O ATOM 0 H SER A 60 -3.096 -12.545 -10.741 1.00 23.13 H new ATOM 0 HA SER A 60 -2.972 -14.330 -12.954 1.00 52.24 H new ATOM 0 HB2 SER A 60 -1.258 -13.648 -10.997 1.00 62.02 H new ATOM 0 HB3 SER A 60 -1.952 -15.056 -10.218 1.00 62.02 H new ATOM 0 HG SER A 60 -0.110 -15.592 -11.523 1.00 1.30 H new ATOM 914 N ASP A 61 -4.857 -15.151 -10.412 1.00 73.10 N ATOM 915 CA ASP A 61 -5.861 -16.100 -9.945 1.00 51.31 C ATOM 916 C ASP A 61 -7.027 -16.183 -10.924 1.00 21.42 C ATOM 917 O ASP A 61 -6.962 -15.651 -12.032 1.00 14.03 O ATOM 918 CB ASP A 61 -6.368 -15.697 -8.560 1.00 45.33 C ATOM 919 CG ASP A 61 -6.543 -16.887 -7.637 1.00 34.33 C ATOM 920 OD1 ASP A 61 -6.607 -18.027 -8.146 1.00 55.31 O ATOM 921 OD2 ASP A 61 -6.615 -16.680 -6.409 1.00 52.21 O ATOM 0 H ASP A 61 -4.773 -14.311 -9.840 1.00 73.10 H new ATOM 0 HA ASP A 61 -5.395 -17.083 -9.880 1.00 51.31 H new ATOM 0 HB2 ASP A 61 -5.668 -14.993 -8.111 1.00 45.33 H new ATOM 0 HB3 ASP A 61 -7.321 -15.177 -8.662 1.00 45.33 H new ATOM 926 N LYS A 62 -8.096 -16.854 -10.508 1.00 75.23 N ATOM 927 CA LYS A 62 -9.278 -17.009 -11.347 1.00 40.21 C ATOM 928 C LYS A 62 -10.548 -16.710 -10.557 1.00 23.23 C ATOM 929 O LYS A 62 -11.470 -16.072 -11.065 1.00 25.01 O ATOM 930 CB LYS A 62 -9.342 -18.426 -11.919 1.00 41.24 C ATOM 931 CG LYS A 62 -9.294 -19.513 -10.859 1.00 44.32 C ATOM 932 CD LYS A 62 -10.673 -20.092 -10.591 1.00 70.52 C ATOM 933 CE LYS A 62 -10.684 -20.955 -9.338 1.00 15.55 C ATOM 934 NZ LYS A 62 -9.794 -22.141 -9.473 1.00 70.34 N ATOM 0 H LYS A 62 -8.168 -17.300 -9.593 1.00 75.23 H new ATOM 0 HA LYS A 62 -9.205 -16.296 -12.169 1.00 40.21 H new ATOM 0 HB2 LYS A 62 -10.260 -18.534 -12.497 1.00 41.24 H new ATOM 0 HB3 LYS A 62 -8.511 -18.568 -12.610 1.00 41.24 H new ATOM 0 HG2 LYS A 62 -8.621 -20.308 -11.182 1.00 44.32 H new ATOM 0 HG3 LYS A 62 -8.884 -19.104 -9.935 1.00 44.32 H new ATOM 0 HD2 LYS A 62 -11.394 -19.282 -10.482 1.00 70.52 H new ATOM 0 HD3 LYS A 62 -10.991 -20.688 -11.447 1.00 70.52 H new ATOM 0 HE2 LYS A 62 -10.366 -20.358 -8.483 1.00 15.55 H new ATOM 0 HE3 LYS A 62 -11.702 -21.286 -9.134 1.00 15.55 H new ATOM 0 HZ1 LYS A 62 -9.830 -22.703 -8.599 1.00 70.34 H new ATOM 0 HZ2 LYS A 62 -10.112 -22.725 -10.273 1.00 70.34 H new ATOM 0 HZ3 LYS A 62 -8.818 -21.825 -9.642 1.00 70.34 H new ATOM 948 N ARG A 63 -10.588 -17.173 -9.312 1.00 12.20 N ATOM 949 CA ARG A 63 -11.745 -16.954 -8.452 1.00 72.34 C ATOM 950 C ARG A 63 -11.792 -15.510 -7.962 1.00 1.10 C ATOM 951 O ARG A 63 -12.856 -14.997 -7.610 1.00 40.12 O ATOM 952 CB ARG A 63 -11.707 -17.909 -7.257 1.00 50.52 C ATOM 953 CG ARG A 63 -13.069 -18.465 -6.878 1.00 74.50 C ATOM 954 CD ARG A 63 -13.655 -19.311 -7.998 1.00 21.20 C ATOM 955 NE ARG A 63 -14.465 -20.414 -7.485 1.00 0.53 N ATOM 956 CZ ARG A 63 -13.959 -21.453 -6.831 1.00 52.24 C ATOM 957 NH1 ARG A 63 -12.654 -21.532 -6.611 1.00 50.30 N ATOM 958 NH2 ARG A 63 -14.760 -22.418 -6.394 1.00 12.54 N ATOM 0 H ARG A 63 -9.833 -17.702 -8.876 1.00 12.20 H new ATOM 0 HA ARG A 63 -12.644 -17.151 -9.037 1.00 72.34 H new ATOM 0 HB2 ARG A 63 -11.037 -18.738 -7.486 1.00 50.52 H new ATOM 0 HB3 ARG A 63 -11.286 -17.386 -6.398 1.00 50.52 H new ATOM 0 HG2 ARG A 63 -12.979 -19.067 -5.974 1.00 74.50 H new ATOM 0 HG3 ARG A 63 -13.747 -17.644 -6.647 1.00 74.50 H new ATOM 0 HD2 ARG A 63 -14.267 -18.682 -8.645 1.00 21.20 H new ATOM 0 HD3 ARG A 63 -12.847 -19.709 -8.612 1.00 21.20 H new ATOM 0 HE ARG A 63 -15.473 -20.384 -7.638 1.00 0.53 H new ATOM 0 HH11 ARG A 63 -12.035 -20.793 -6.944 1.00 50.30 H new ATOM 0 HH12 ARG A 63 -12.269 -22.332 -6.108 1.00 50.30 H new ATOM 0 HH21 ARG A 63 -15.765 -22.361 -6.561 1.00 12.54 H new ATOM 0 HH22 ARG A 63 -14.370 -23.216 -5.892 1.00 12.54 H new ATOM 972 N PHE A 64 -10.633 -14.860 -7.939 1.00 25.44 N ATOM 973 CA PHE A 64 -10.543 -13.475 -7.490 1.00 22.54 C ATOM 974 C PHE A 64 -9.962 -12.585 -8.586 1.00 71.02 C ATOM 975 O PHE A 64 -9.395 -11.530 -8.307 1.00 10.31 O ATOM 976 CB PHE A 64 -9.681 -13.381 -6.230 1.00 1.04 C ATOM 977 CG PHE A 64 -10.439 -13.656 -4.963 1.00 71.42 C ATOM 978 CD1 PHE A 64 -10.649 -14.958 -4.536 1.00 24.53 C ATOM 979 CD2 PHE A 64 -10.942 -12.616 -4.200 1.00 53.41 C ATOM 980 CE1 PHE A 64 -11.348 -15.215 -3.371 1.00 11.35 C ATOM 981 CE2 PHE A 64 -11.640 -12.867 -3.034 1.00 45.30 C ATOM 982 CZ PHE A 64 -11.842 -14.168 -2.618 1.00 21.41 C ATOM 0 H PHE A 64 -9.744 -15.269 -8.226 1.00 25.44 H new ATOM 0 HA PHE A 64 -11.550 -13.127 -7.260 1.00 22.54 H new ATOM 0 HB2 PHE A 64 -8.855 -14.088 -6.311 1.00 1.04 H new ATOM 0 HB3 PHE A 64 -9.243 -12.385 -6.173 1.00 1.04 H new ATOM 0 HD1 PHE A 64 -10.262 -15.780 -5.120 1.00 24.53 H new ATOM 0 HD2 PHE A 64 -10.787 -11.596 -4.520 1.00 53.41 H new ATOM 0 HE1 PHE A 64 -11.508 -16.234 -3.050 1.00 11.35 H new ATOM 0 HE2 PHE A 64 -12.027 -12.046 -2.449 1.00 45.30 H new ATOM 0 HZ PHE A 64 -12.385 -14.366 -1.706 1.00 21.41 H new ATOM 992 N ALA A 65 -10.108 -13.020 -9.833 1.00 53.24 N ATOM 993 CA ALA A 65 -9.599 -12.264 -10.971 1.00 43.10 C ATOM 994 C ALA A 65 -10.736 -11.611 -11.749 1.00 63.50 C ATOM 995 O ALA A 65 -11.033 -12.003 -12.877 1.00 32.15 O ATOM 996 CB ALA A 65 -8.783 -13.168 -11.883 1.00 12.24 C ATOM 0 H ALA A 65 -10.575 -13.892 -10.081 1.00 53.24 H new ATOM 0 HA ALA A 65 -8.953 -11.473 -10.590 1.00 43.10 H new ATOM 0 HB1 ALA A 65 -8.409 -12.590 -12.728 1.00 12.24 H new ATOM 0 HB2 ALA A 65 -7.942 -13.583 -11.327 1.00 12.24 H new ATOM 0 HB3 ALA A 65 -9.412 -13.980 -12.248 1.00 12.24 H new ATOM 1002 N ASP A 66 -11.370 -10.617 -11.138 1.00 2.24 N ATOM 1003 CA ASP A 66 -12.475 -9.909 -11.775 1.00 63.24 C ATOM 1004 C ASP A 66 -12.989 -8.786 -10.879 1.00 23.44 C ATOM 1005 O ASP A 66 -13.022 -8.920 -9.655 1.00 3.14 O ATOM 1006 CB ASP A 66 -13.611 -10.881 -12.098 1.00 24.22 C ATOM 1007 CG ASP A 66 -13.643 -11.267 -13.564 1.00 51.22 C ATOM 1008 OD1 ASP A 66 -13.581 -10.359 -14.418 1.00 70.14 O ATOM 1009 OD2 ASP A 66 -13.731 -12.478 -13.856 1.00 73.42 O ATOM 0 H ASP A 66 -11.138 -10.283 -10.203 1.00 2.24 H new ATOM 0 HA ASP A 66 -12.107 -9.470 -12.702 1.00 63.24 H new ATOM 0 HB2 ASP A 66 -13.500 -11.780 -11.491 1.00 24.22 H new ATOM 0 HB3 ASP A 66 -14.563 -10.427 -11.824 1.00 24.22 H new ATOM 1014 N CYS A 67 -13.388 -7.679 -11.497 1.00 73.24 N ATOM 1015 CA CYS A 67 -13.898 -6.532 -10.757 1.00 65.00 C ATOM 1016 C CYS A 67 -15.216 -6.872 -10.067 1.00 3.30 C ATOM 1017 O CYS A 67 -15.591 -6.242 -9.077 1.00 71.32 O ATOM 1018 CB CYS A 67 -14.096 -5.339 -11.696 1.00 52.23 C ATOM 1019 SG CYS A 67 -12.621 -4.284 -11.876 1.00 31.53 S ATOM 0 H CYS A 67 -13.368 -7.553 -12.509 1.00 73.24 H new ATOM 0 HA CYS A 67 -13.165 -6.269 -9.994 1.00 65.00 H new ATOM 0 HB2 CYS A 67 -14.388 -5.708 -12.679 1.00 52.23 H new ATOM 0 HB3 CYS A 67 -14.922 -4.731 -11.326 1.00 52.23 H new ATOM 0 HG CYS A 67 -12.355 -3.712 -10.739 1.00 31.53 H new ATOM 1024 N SER A 68 -15.913 -7.872 -10.595 1.00 62.33 N ATOM 1025 CA SER A 68 -17.191 -8.295 -10.032 1.00 21.05 C ATOM 1026 C SER A 68 -16.983 -9.056 -8.726 1.00 70.50 C ATOM 1027 O SER A 68 -17.838 -9.037 -7.841 1.00 64.33 O ATOM 1028 CB SER A 68 -17.948 -9.171 -11.032 1.00 21.33 C ATOM 1029 OG SER A 68 -19.343 -9.144 -10.780 1.00 53.53 O ATOM 0 H SER A 68 -15.615 -8.405 -11.412 1.00 62.33 H new ATOM 0 HA SER A 68 -17.781 -7.403 -9.823 1.00 21.05 H new ATOM 0 HB2 SER A 68 -17.752 -8.823 -12.046 1.00 21.33 H new ATOM 0 HB3 SER A 68 -17.584 -10.197 -10.970 1.00 21.33 H new ATOM 0 HG SER A 68 -19.804 -9.710 -11.433 1.00 53.53 H new ATOM 1035 N LYS A 69 -15.842 -9.727 -8.614 1.00 30.44 N ATOM 1036 CA LYS A 69 -15.519 -10.495 -7.418 1.00 34.03 C ATOM 1037 C LYS A 69 -15.265 -9.571 -6.231 1.00 21.31 C ATOM 1038 O LYS A 69 -14.683 -8.497 -6.381 1.00 60.54 O ATOM 1039 CB LYS A 69 -14.291 -11.372 -7.666 1.00 14.21 C ATOM 1040 CG LYS A 69 -14.369 -12.180 -8.951 1.00 24.21 C ATOM 1041 CD LYS A 69 -15.424 -13.270 -8.860 1.00 3.43 C ATOM 1042 CE LYS A 69 -15.999 -13.604 -10.228 1.00 21.11 C ATOM 1043 NZ LYS A 69 -16.785 -14.869 -10.205 1.00 61.02 N ATOM 0 H LYS A 69 -15.124 -9.754 -9.338 1.00 30.44 H new ATOM 0 HA LYS A 69 -16.372 -11.133 -7.185 1.00 34.03 H new ATOM 0 HB2 LYS A 69 -13.404 -10.740 -7.698 1.00 14.21 H new ATOM 0 HB3 LYS A 69 -14.166 -12.054 -6.825 1.00 14.21 H new ATOM 0 HG2 LYS A 69 -14.600 -11.517 -9.785 1.00 24.21 H new ATOM 0 HG3 LYS A 69 -13.398 -12.629 -9.160 1.00 24.21 H new ATOM 0 HD2 LYS A 69 -14.986 -14.166 -8.419 1.00 3.43 H new ATOM 0 HD3 LYS A 69 -16.226 -12.947 -8.196 1.00 3.43 H new ATOM 0 HE2 LYS A 69 -16.637 -12.786 -10.564 1.00 21.11 H new ATOM 0 HE3 LYS A 69 -15.188 -13.693 -10.951 1.00 21.11 H new ATOM 0 HZ1 LYS A 69 -17.160 -15.062 -11.156 1.00 61.02 H new ATOM 0 HZ2 LYS A 69 -16.171 -15.654 -9.909 1.00 61.02 H new ATOM 0 HZ3 LYS A 69 -17.574 -14.775 -9.534 1.00 61.02 H new ATOM 1057 N SER A 70 -15.706 -9.997 -5.051 1.00 51.35 N ATOM 1058 CA SER A 70 -15.529 -9.206 -3.838 1.00 74.05 C ATOM 1059 C SER A 70 -14.050 -9.083 -3.482 1.00 64.01 C ATOM 1060 O SER A 70 -13.193 -9.687 -4.127 1.00 65.24 O ATOM 1061 CB SER A 70 -16.294 -9.841 -2.675 1.00 14.23 C ATOM 1062 OG SER A 70 -17.077 -10.936 -3.116 1.00 20.54 O ATOM 0 H SER A 70 -16.188 -10.885 -4.909 1.00 51.35 H new ATOM 0 HA SER A 70 -15.925 -8.207 -4.022 1.00 74.05 H new ATOM 0 HB2 SER A 70 -15.590 -10.177 -1.913 1.00 14.23 H new ATOM 0 HB3 SER A 70 -16.937 -9.095 -2.208 1.00 14.23 H new ATOM 0 HG SER A 70 -17.554 -11.325 -2.354 1.00 20.54 H new ATOM 1068 N GLN A 71 -13.760 -8.296 -2.451 1.00 42.00 N ATOM 1069 CA GLN A 71 -12.386 -8.091 -2.010 1.00 41.24 C ATOM 1070 C GLN A 71 -11.837 -9.347 -1.339 1.00 32.42 C ATOM 1071 O GLN A 71 -12.595 -10.236 -0.952 1.00 14.41 O ATOM 1072 CB GLN A 71 -12.309 -6.909 -1.043 1.00 24.01 C ATOM 1073 CG GLN A 71 -10.893 -6.414 -0.797 1.00 41.14 C ATOM 1074 CD GLN A 71 -10.852 -4.982 -0.303 1.00 12.54 C ATOM 1075 OE1 GLN A 71 -11.876 -4.301 -0.253 1.00 43.25 O ATOM 1076 NE2 GLN A 71 -9.664 -4.516 0.066 1.00 24.22 N ATOM 0 H GLN A 71 -14.458 -7.790 -1.906 1.00 42.00 H new ATOM 0 HA GLN A 71 -11.778 -7.873 -2.888 1.00 41.24 H new ATOM 0 HB2 GLN A 71 -12.908 -6.088 -1.437 1.00 24.01 H new ATOM 0 HB3 GLN A 71 -12.754 -7.200 -0.091 1.00 24.01 H new ATOM 0 HG2 GLN A 71 -10.408 -7.060 -0.065 1.00 41.14 H new ATOM 0 HG3 GLN A 71 -10.320 -6.492 -1.721 1.00 41.14 H new ATOM 0 HE21 GLN A 71 -8.841 -5.115 0.008 1.00 24.22 H new ATOM 0 HE22 GLN A 71 -9.575 -3.559 0.407 1.00 24.22 H new ATOM 1085 N GLU A 72 -10.517 -9.413 -1.207 1.00 14.51 N ATOM 1086 CA GLU A 72 -9.867 -10.560 -0.586 1.00 50.12 C ATOM 1087 C GLU A 72 -9.792 -10.388 0.929 1.00 40.52 C ATOM 1088 O GLU A 72 -10.006 -11.337 1.683 1.00 50.32 O ATOM 1089 CB GLU A 72 -8.461 -10.752 -1.158 1.00 21.41 C ATOM 1090 CG GLU A 72 -8.410 -10.691 -2.677 1.00 42.45 C ATOM 1091 CD GLU A 72 -7.482 -11.733 -3.271 1.00 42.30 C ATOM 1092 OE1 GLU A 72 -6.471 -12.067 -2.618 1.00 42.13 O ATOM 1093 OE2 GLU A 72 -7.766 -12.212 -4.387 1.00 72.24 O ATOM 0 H GLU A 72 -9.876 -8.685 -1.522 1.00 14.51 H new ATOM 0 HA GLU A 72 -10.464 -11.445 -0.806 1.00 50.12 H new ATOM 0 HB2 GLU A 72 -7.803 -9.985 -0.749 1.00 21.41 H new ATOM 0 HB3 GLU A 72 -8.071 -11.715 -0.828 1.00 21.41 H new ATOM 0 HG2 GLU A 72 -9.414 -10.834 -3.077 1.00 42.45 H new ATOM 0 HG3 GLU A 72 -8.082 -9.699 -2.986 1.00 42.45 H new ATOM 1100 N MET A 73 -9.485 -9.171 1.366 1.00 30.32 N ATOM 1101 CA MET A 73 -9.381 -8.874 2.790 1.00 31.42 C ATOM 1102 C MET A 73 -10.043 -7.538 3.115 1.00 50.43 C ATOM 1103 O MET A 73 -10.346 -6.750 2.220 1.00 64.14 O ATOM 1104 CB MET A 73 -7.915 -8.849 3.222 1.00 14.43 C ATOM 1105 CG MET A 73 -7.287 -10.229 3.322 1.00 74.12 C ATOM 1106 SD MET A 73 -6.122 -10.366 4.691 1.00 13.41 S ATOM 1107 CE MET A 73 -5.243 -8.812 4.543 1.00 41.43 C ATOM 0 H MET A 73 -9.304 -8.375 0.755 1.00 30.32 H new ATOM 0 HA MET A 73 -9.899 -9.660 3.339 1.00 31.42 H new ATOM 0 HB2 MET A 73 -7.346 -8.250 2.511 1.00 14.43 H new ATOM 0 HB3 MET A 73 -7.838 -8.353 4.190 1.00 14.43 H new ATOM 0 HG2 MET A 73 -8.074 -10.974 3.444 1.00 74.12 H new ATOM 0 HG3 MET A 73 -6.773 -10.458 2.389 1.00 74.12 H new ATOM 0 HE1 MET A 73 -4.175 -8.984 4.679 1.00 41.43 H new ATOM 0 HE2 MET A 73 -5.419 -8.387 3.555 1.00 41.43 H new ATOM 0 HE3 MET A 73 -5.599 -8.119 5.305 1.00 41.43 H new ATOM 1117 N SER A 74 -10.263 -7.291 4.403 1.00 61.34 N ATOM 1118 CA SER A 74 -10.893 -6.052 4.846 1.00 53.35 C ATOM 1119 C SER A 74 -9.871 -4.922 4.924 1.00 41.24 C ATOM 1120 O SER A 74 -8.684 -5.157 5.149 1.00 42.04 O ATOM 1121 CB SER A 74 -11.555 -6.253 6.211 1.00 10.13 C ATOM 1122 OG SER A 74 -12.410 -7.382 6.202 1.00 60.01 O ATOM 0 H SER A 74 -10.015 -7.931 5.157 1.00 61.34 H new ATOM 0 HA SER A 74 -11.656 -5.778 4.117 1.00 53.35 H new ATOM 0 HB2 SER A 74 -10.788 -6.380 6.975 1.00 10.13 H new ATOM 0 HB3 SER A 74 -12.126 -5.363 6.476 1.00 10.13 H new ATOM 0 HG SER A 74 -12.819 -7.490 7.086 1.00 60.01 H new ATOM 1128 N ASN A 75 -10.342 -3.693 4.738 1.00 62.23 N ATOM 1129 CA ASN A 75 -9.471 -2.525 4.787 1.00 54.41 C ATOM 1130 C ASN A 75 -8.628 -2.527 6.059 1.00 63.12 C ATOM 1131 O ASN A 75 -7.439 -2.216 6.028 1.00 40.30 O ATOM 1132 CB ASN A 75 -10.299 -1.241 4.712 1.00 44.30 C ATOM 1133 CG ASN A 75 -10.561 -0.805 3.283 1.00 14.43 C ATOM 1134 OD1 ASN A 75 -11.709 -0.606 2.884 1.00 12.45 O ATOM 1135 ND2 ASN A 75 -9.495 -0.654 2.506 1.00 12.13 N ATOM 0 H ASN A 75 -11.322 -3.481 4.552 1.00 62.23 H new ATOM 0 HA ASN A 75 -8.801 -2.567 3.929 1.00 54.41 H new ATOM 0 HB2 ASN A 75 -11.250 -1.395 5.222 1.00 44.30 H new ATOM 0 HB3 ASN A 75 -9.778 -0.444 5.242 1.00 44.30 H new ATOM 0 HD21 ASN A 75 -9.609 -0.362 1.535 1.00 12.13 H new ATOM 0 HD22 ASN A 75 -8.562 -0.830 2.880 1.00 12.13 H new ATOM 1142 N GLU A 76 -9.256 -2.881 7.177 1.00 10.21 N ATOM 1143 CA GLU A 76 -8.565 -2.923 8.459 1.00 50.53 C ATOM 1144 C GLU A 76 -7.405 -3.914 8.421 1.00 14.33 C ATOM 1145 O GLU A 76 -6.294 -3.600 8.846 1.00 50.02 O ATOM 1146 CB GLU A 76 -9.538 -3.305 9.577 1.00 73.31 C ATOM 1147 CG GLU A 76 -10.295 -4.595 9.310 1.00 50.23 C ATOM 1148 CD GLU A 76 -11.420 -4.827 10.300 1.00 72.30 C ATOM 1149 OE1 GLU A 76 -12.072 -3.839 10.698 1.00 12.12 O ATOM 1150 OE2 GLU A 76 -11.649 -5.996 10.676 1.00 33.42 O ATOM 0 H GLU A 76 -10.241 -3.142 7.220 1.00 10.21 H new ATOM 0 HA GLU A 76 -8.165 -1.929 8.658 1.00 50.53 H new ATOM 0 HB2 GLU A 76 -8.984 -3.405 10.511 1.00 73.31 H new ATOM 0 HB3 GLU A 76 -10.254 -2.495 9.716 1.00 73.31 H new ATOM 0 HG2 GLU A 76 -10.704 -4.569 8.300 1.00 50.23 H new ATOM 0 HG3 GLU A 76 -9.601 -5.434 9.351 1.00 50.23 H new ATOM 1157 N GLU A 77 -7.673 -5.109 7.906 1.00 43.54 N ATOM 1158 CA GLU A 77 -6.651 -6.147 7.813 1.00 21.24 C ATOM 1159 C GLU A 77 -5.488 -5.688 6.938 1.00 4.34 C ATOM 1160 O GLU A 77 -4.323 -5.896 7.276 1.00 60.55 O ATOM 1161 CB GLU A 77 -7.252 -7.435 7.247 1.00 32.24 C ATOM 1162 CG GLU A 77 -6.493 -8.688 7.648 1.00 52.33 C ATOM 1163 CD GLU A 77 -6.418 -8.868 9.152 1.00 14.52 C ATOM 1164 OE1 GLU A 77 -7.389 -8.493 9.843 1.00 15.52 O ATOM 1165 OE2 GLU A 77 -5.389 -9.383 9.638 1.00 21.11 O ATOM 0 H GLU A 77 -8.587 -5.383 7.547 1.00 43.54 H new ATOM 0 HA GLU A 77 -6.273 -6.341 8.817 1.00 21.24 H new ATOM 0 HB2 GLU A 77 -8.285 -7.523 7.584 1.00 32.24 H new ATOM 0 HB3 GLU A 77 -7.276 -7.367 6.159 1.00 32.24 H new ATOM 0 HG2 GLU A 77 -6.977 -9.559 7.205 1.00 52.33 H new ATOM 0 HG3 GLU A 77 -5.483 -8.643 7.240 1.00 52.33 H new ATOM 1172 N ILE A 78 -5.814 -5.060 5.812 1.00 74.44 N ATOM 1173 CA ILE A 78 -4.798 -4.572 4.889 1.00 54.22 C ATOM 1174 C ILE A 78 -3.988 -3.440 5.513 1.00 34.44 C ATOM 1175 O ILE A 78 -2.759 -3.448 5.473 1.00 12.11 O ATOM 1176 CB ILE A 78 -5.425 -4.075 3.573 1.00 75.25 C ATOM 1177 CG1 ILE A 78 -6.303 -5.167 2.958 1.00 23.13 C ATOM 1178 CG2 ILE A 78 -4.338 -3.649 2.597 1.00 63.45 C ATOM 1179 CD1 ILE A 78 -7.193 -4.667 1.842 1.00 24.23 C ATOM 0 H ILE A 78 -6.774 -4.878 5.518 1.00 74.44 H new ATOM 0 HA ILE A 78 -4.138 -5.412 4.672 1.00 54.22 H new ATOM 0 HB ILE A 78 -6.052 -3.210 3.789 1.00 75.25 H new ATOM 0 HG12 ILE A 78 -5.664 -5.963 2.574 1.00 23.13 H new ATOM 0 HG13 ILE A 78 -6.924 -5.606 3.739 1.00 23.13 H new ATOM 0 HG21 ILE A 78 -4.796 -3.300 1.672 1.00 63.45 H new ATOM 0 HG22 ILE A 78 -3.750 -2.844 3.037 1.00 63.45 H new ATOM 0 HG23 ILE A 78 -3.688 -4.498 2.383 1.00 63.45 H new ATOM 0 HD11 ILE A 78 -7.787 -5.494 1.453 1.00 24.23 H new ATOM 0 HD12 ILE A 78 -7.857 -3.892 2.225 1.00 24.23 H new ATOM 0 HD13 ILE A 78 -6.577 -4.255 1.043 1.00 24.23 H new ATOM 1191 N ASN A 79 -4.687 -2.468 6.089 1.00 22.02 N ATOM 1192 CA ASN A 79 -4.033 -1.329 6.724 1.00 32.33 C ATOM 1193 C ASN A 79 -3.050 -1.792 7.794 1.00 71.11 C ATOM 1194 O ASN A 79 -1.932 -1.286 7.884 1.00 24.22 O ATOM 1195 CB ASN A 79 -5.076 -0.395 7.342 1.00 4.33 C ATOM 1196 CG ASN A 79 -4.826 -0.146 8.817 1.00 1.10 C ATOM 1197 OD1 ASN A 79 -4.066 0.750 9.186 1.00 32.11 O ATOM 1198 ND2 ASN A 79 -5.465 -0.939 9.668 1.00 23.52 N ATOM 0 H ASN A 79 -5.706 -2.446 6.129 1.00 22.02 H new ATOM 0 HA ASN A 79 -3.478 -0.787 5.958 1.00 32.33 H new ATOM 0 HB2 ASN A 79 -5.069 0.556 6.809 1.00 4.33 H new ATOM 0 HB3 ASN A 79 -6.069 -0.826 7.212 1.00 4.33 H new ATOM 0 HD21 ASN A 79 -5.336 -0.819 10.673 1.00 23.52 H new ATOM 0 HD22 ASN A 79 -6.085 -1.669 9.317 1.00 23.52 H new ATOM 1205 N GLU A 80 -3.475 -2.758 8.602 1.00 24.24 N ATOM 1206 CA GLU A 80 -2.632 -3.289 9.666 1.00 42.33 C ATOM 1207 C GLU A 80 -1.555 -4.209 9.099 1.00 73.33 C ATOM 1208 O GLU A 80 -0.472 -4.339 9.669 1.00 4.32 O ATOM 1209 CB GLU A 80 -3.480 -4.048 10.689 1.00 24.45 C ATOM 1210 CG GLU A 80 -4.013 -5.375 10.173 1.00 4.23 C ATOM 1211 CD GLU A 80 -4.675 -6.199 11.259 1.00 41.04 C ATOM 1212 OE1 GLU A 80 -3.957 -6.683 12.159 1.00 34.12 O ATOM 1213 OE2 GLU A 80 -5.913 -6.361 11.209 1.00 41.31 O ATOM 0 H GLU A 80 -4.398 -3.188 8.540 1.00 24.24 H new ATOM 0 HA GLU A 80 -2.144 -2.449 10.161 1.00 42.33 H new ATOM 0 HB2 GLU A 80 -2.882 -4.229 11.582 1.00 24.45 H new ATOM 0 HB3 GLU A 80 -4.319 -3.421 10.989 1.00 24.45 H new ATOM 0 HG2 GLU A 80 -4.732 -5.188 9.375 1.00 4.23 H new ATOM 0 HG3 GLU A 80 -3.194 -5.947 9.737 1.00 4.23 H new ATOM 1220 N GLU A 81 -1.862 -4.846 7.974 1.00 33.22 N ATOM 1221 CA GLU A 81 -0.921 -5.755 7.330 1.00 10.31 C ATOM 1222 C GLU A 81 0.325 -5.008 6.864 1.00 2.13 C ATOM 1223 O GLU A 81 1.450 -5.394 7.184 1.00 15.44 O ATOM 1224 CB GLU A 81 -1.584 -6.454 6.141 1.00 63.23 C ATOM 1225 CG GLU A 81 -0.676 -7.445 5.434 1.00 71.40 C ATOM 1226 CD GLU A 81 -0.189 -8.549 6.352 1.00 33.21 C ATOM 1227 OE1 GLU A 81 -0.901 -9.566 6.485 1.00 41.23 O ATOM 1228 OE2 GLU A 81 0.904 -8.396 6.937 1.00 22.11 O ATOM 0 H GLU A 81 -2.754 -4.750 7.490 1.00 33.22 H new ATOM 0 HA GLU A 81 -0.622 -6.505 8.062 1.00 10.31 H new ATOM 0 HB2 GLU A 81 -2.476 -6.975 6.488 1.00 63.23 H new ATOM 0 HB3 GLU A 81 -1.913 -5.701 5.425 1.00 63.23 H new ATOM 0 HG2 GLU A 81 -1.211 -7.887 4.593 1.00 71.40 H new ATOM 0 HG3 GLU A 81 0.183 -6.915 5.022 1.00 71.40 H new ATOM 1235 N LEU A 82 0.116 -3.937 6.106 1.00 35.14 N ATOM 1236 CA LEU A 82 1.222 -3.135 5.594 1.00 62.14 C ATOM 1237 C LEU A 82 1.697 -2.131 6.640 1.00 72.54 C ATOM 1238 O LEU A 82 2.867 -1.753 6.665 1.00 4.22 O ATOM 1239 CB LEU A 82 0.799 -2.400 4.321 1.00 25.42 C ATOM 1240 CG LEU A 82 0.189 -3.265 3.218 1.00 21.22 C ATOM 1241 CD1 LEU A 82 -1.284 -2.936 3.033 1.00 43.24 C ATOM 1242 CD2 LEU A 82 0.946 -3.076 1.912 1.00 35.24 C ATOM 0 H LEU A 82 -0.809 -3.604 5.832 1.00 35.14 H new ATOM 0 HA LEU A 82 2.048 -3.807 5.361 1.00 62.14 H new ATOM 0 HB2 LEU A 82 0.077 -1.630 4.593 1.00 25.42 H new ATOM 0 HB3 LEU A 82 1.671 -1.889 3.914 1.00 25.42 H new ATOM 0 HG LEU A 82 0.272 -4.310 3.516 1.00 21.22 H new ATOM 0 HD11 LEU A 82 -1.700 -3.562 2.244 1.00 43.24 H new ATOM 0 HD12 LEU A 82 -1.818 -3.123 3.964 1.00 43.24 H new ATOM 0 HD13 LEU A 82 -1.391 -1.887 2.758 1.00 43.24 H new ATOM 0 HD21 LEU A 82 0.498 -3.699 1.138 1.00 35.24 H new ATOM 0 HD22 LEU A 82 0.895 -2.030 1.610 1.00 35.24 H new ATOM 0 HD23 LEU A 82 1.988 -3.363 2.051 1.00 35.24 H new ATOM 1254 N GLY A 83 0.780 -1.706 7.503 1.00 45.41 N ATOM 1255 CA GLY A 83 1.125 -0.753 8.542 1.00 24.43 C ATOM 1256 C GLY A 83 0.942 0.684 8.093 1.00 22.22 C ATOM 1257 O GLY A 83 1.699 1.567 8.495 1.00 0.44 O ATOM 0 H GLY A 83 -0.195 -2.004 7.502 1.00 45.41 H new ATOM 0 HA2 GLY A 83 0.507 -0.938 9.420 1.00 24.43 H new ATOM 0 HA3 GLY A 83 2.161 -0.907 8.843 1.00 24.43 H new ATOM 1261 N ILE A 84 -0.063 0.918 7.257 1.00 11.12 N ATOM 1262 CA ILE A 84 -0.341 2.257 6.753 1.00 24.24 C ATOM 1263 C ILE A 84 -1.562 2.860 7.439 1.00 41.43 C ATOM 1264 O ILE A 84 -2.129 2.266 8.355 1.00 43.21 O ATOM 1265 CB ILE A 84 -0.575 2.248 5.230 1.00 2.41 C ATOM 1266 CG1 ILE A 84 -1.789 1.384 4.884 1.00 30.44 C ATOM 1267 CG2 ILE A 84 0.665 1.745 4.507 1.00 64.13 C ATOM 1268 CD1 ILE A 84 -2.094 1.336 3.403 1.00 21.01 C ATOM 0 H ILE A 84 -0.699 0.198 6.914 1.00 11.12 H new ATOM 0 HA ILE A 84 0.536 2.866 6.975 1.00 24.24 H new ATOM 0 HB ILE A 84 -0.774 3.268 4.901 1.00 2.41 H new ATOM 0 HG12 ILE A 84 -1.618 0.370 5.244 1.00 30.44 H new ATOM 0 HG13 ILE A 84 -2.661 1.768 5.414 1.00 30.44 H new ATOM 0 HG21 ILE A 84 0.484 1.744 3.432 1.00 64.13 H new ATOM 0 HG22 ILE A 84 1.508 2.398 4.733 1.00 64.13 H new ATOM 0 HG23 ILE A 84 0.893 0.731 4.837 1.00 64.13 H new ATOM 0 HD11 ILE A 84 -2.967 0.706 3.231 1.00 21.01 H new ATOM 0 HD12 ILE A 84 -2.297 2.344 3.041 1.00 21.01 H new ATOM 0 HD13 ILE A 84 -1.238 0.924 2.868 1.00 21.01 H new ATOM 1280 N GLY A 85 -1.962 4.046 6.990 1.00 13.32 N ATOM 1281 CA GLY A 85 -3.114 4.710 7.572 1.00 13.42 C ATOM 1282 C GLY A 85 -4.241 4.896 6.574 1.00 55.23 C ATOM 1283 O GLY A 85 -4.484 6.007 6.106 1.00 30.55 O ATOM 0 H GLY A 85 -1.509 4.559 6.234 1.00 13.32 H new ATOM 0 HA2 GLY A 85 -3.476 4.128 8.419 1.00 13.42 H new ATOM 0 HA3 GLY A 85 -2.812 5.683 7.960 1.00 13.42 H new ATOM 1287 N GLN A 86 -4.927 3.806 6.249 1.00 53.03 N ATOM 1288 CA GLN A 86 -6.032 3.854 5.299 1.00 13.40 C ATOM 1289 C GLN A 86 -7.162 4.733 5.825 1.00 33.53 C ATOM 1290 O GLN A 86 -7.477 4.712 7.014 1.00 63.54 O ATOM 1291 CB GLN A 86 -6.554 2.444 5.020 1.00 44.13 C ATOM 1292 CG GLN A 86 -6.031 1.847 3.723 1.00 33.20 C ATOM 1293 CD GLN A 86 -6.131 0.334 3.694 1.00 1.44 C ATOM 1294 OE1 GLN A 86 -7.052 -0.249 4.266 1.00 34.31 O ATOM 1295 NE2 GLN A 86 -5.181 -0.309 3.027 1.00 14.10 N ATOM 0 H GLN A 86 -4.737 2.879 6.629 1.00 53.03 H new ATOM 0 HA GLN A 86 -5.662 4.286 4.370 1.00 13.40 H new ATOM 0 HB2 GLN A 86 -6.276 1.792 5.848 1.00 44.13 H new ATOM 0 HB3 GLN A 86 -7.643 2.469 4.986 1.00 44.13 H new ATOM 0 HG2 GLN A 86 -6.592 2.260 2.885 1.00 33.20 H new ATOM 0 HG3 GLN A 86 -4.990 2.141 3.586 1.00 33.20 H new ATOM 0 HE21 GLN A 86 -4.436 0.215 2.568 1.00 14.10 H new ATOM 0 HE22 GLN A 86 -5.196 -1.327 2.974 1.00 14.10 H new