USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 CYS SG : rot 145:sc= 0.548 USER MOD Set 1.2: A 34 CYS SG : rot -56:sc= 0.599 USER MOD Set 1.3: A 56 CYS SG : rot 115:sc= 0.0169 USER MOD Set 1.4: A 57 MET CE :methyl 160:sc= -1.68 (180deg=-1.94!) USER MOD Set 1.5: A 67 CYS SG : rot -61:sc= 0.063 USER MOD Single : A 26 SER OG : rot -34:sc= 0.076 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 99:sc= 0.0284 USER MOD Single : A 58 ASN : amide:sc= -2.58 K(o=-2.6,f=-0.93) USER MOD Single : A 59 ASN : amide:sc= -0.053 K(o=-0.053,f=-4.3!) USER MOD Single : A 60 SER OG : rot 54:sc= -0.341 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 K(o=-3.1,f=-4.4!) USER MOD Single : A 73 MET CE :methyl -137:sc= -2.47 (180deg=-4.9!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.213 X(o=-0.21,f=-0.046) USER MOD Single : A 79 ASN : amide:sc= -0.259 K(o=-0.26,f=0.97) USER MOD Single : A 86 GLN : amide:sc= -4.46! K(o=-4.5!,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 366 N SER A 26 4.569 -12.363 -1.352 1.00 72.54 N ATOM 367 CA SER A 26 3.275 -11.793 -1.702 1.00 51.24 C ATOM 368 C SER A 26 3.294 -10.274 -1.560 1.00 51.23 C ATOM 369 O SER A 26 3.881 -9.735 -0.622 1.00 72.03 O ATOM 370 CB SER A 26 2.176 -12.385 -0.816 1.00 64.21 C ATOM 371 OG SER A 26 2.441 -12.145 0.554 1.00 11.04 O ATOM 0 HA SER A 26 3.066 -12.041 -2.743 1.00 51.24 H new ATOM 0 HB2 SER A 26 1.214 -11.950 -1.085 1.00 64.21 H new ATOM 0 HB3 SER A 26 2.101 -13.458 -0.993 1.00 64.21 H new ATOM 0 HG SER A 26 3.408 -12.174 0.710 1.00 11.04 H new ATOM 377 N ALA A 27 2.648 -9.590 -2.499 1.00 41.41 N ATOM 378 CA ALA A 27 2.589 -8.134 -2.478 1.00 5.33 C ATOM 379 C ALA A 27 1.156 -7.640 -2.645 1.00 60.30 C ATOM 380 O ALA A 27 0.285 -8.379 -3.103 1.00 53.31 O ATOM 381 CB ALA A 27 3.479 -7.554 -3.567 1.00 4.10 C ATOM 0 H ALA A 27 2.158 -10.021 -3.283 1.00 41.41 H new ATOM 0 HA ALA A 27 2.952 -7.795 -1.508 1.00 5.33 H new ATOM 0 HB1 ALA A 27 3.425 -6.466 -3.540 1.00 4.10 H new ATOM 0 HB2 ALA A 27 4.509 -7.871 -3.402 1.00 4.10 H new ATOM 0 HB3 ALA A 27 3.141 -7.910 -4.541 1.00 4.10 H new ATOM 387 N TRP A 28 0.920 -6.388 -2.271 1.00 53.41 N ATOM 388 CA TRP A 28 -0.410 -5.796 -2.379 1.00 21.03 C ATOM 389 C TRP A 28 -0.523 -4.937 -3.634 1.00 74.45 C ATOM 390 O TRP A 28 0.328 -4.087 -3.895 1.00 32.33 O ATOM 391 CB TRP A 28 -0.718 -4.953 -1.140 1.00 64.44 C ATOM 392 CG TRP A 28 -1.177 -5.767 0.032 1.00 63.42 C ATOM 393 CD1 TRP A 28 -0.478 -6.023 1.176 1.00 31.22 C ATOM 394 CD2 TRP A 28 -2.438 -6.431 0.172 1.00 33.44 C ATOM 395 NE1 TRP A 28 -1.228 -6.806 2.021 1.00 61.35 N ATOM 396 CE2 TRP A 28 -2.434 -7.070 1.427 1.00 33.13 C ATOM 397 CE3 TRP A 28 -3.569 -6.547 -0.639 1.00 51.23 C ATOM 398 CZ2 TRP A 28 -3.518 -7.814 1.887 1.00 5.43 C ATOM 399 CZ3 TRP A 28 -4.644 -7.285 -0.182 1.00 70.34 C ATOM 400 CH2 TRP A 28 -4.612 -7.911 1.072 1.00 10.12 C ATOM 0 H TRP A 28 1.631 -5.763 -1.891 1.00 53.41 H new ATOM 0 HA TRP A 28 -1.136 -6.606 -2.449 1.00 21.03 H new ATOM 0 HB2 TRP A 28 0.174 -4.394 -0.858 1.00 64.44 H new ATOM 0 HB3 TRP A 28 -1.487 -4.221 -1.389 1.00 64.44 H new ATOM 0 HD1 TRP A 28 0.518 -5.663 1.386 1.00 31.22 H new ATOM 0 HE1 TRP A 28 -0.935 -7.137 2.940 1.00 61.35 H new ATOM 0 HE3 TRP A 28 -3.603 -6.068 -1.606 1.00 51.23 H new ATOM 0 HZ2 TRP A 28 -3.495 -8.297 2.853 1.00 5.43 H new ATOM 0 HZ3 TRP A 28 -5.524 -7.381 -0.801 1.00 70.34 H new ATOM 0 HH2 TRP A 28 -5.468 -8.481 1.401 1.00 10.12 H new ATOM 411 N VAL A 29 -1.578 -5.166 -4.409 1.00 42.44 N ATOM 412 CA VAL A 29 -1.803 -4.411 -5.637 1.00 15.15 C ATOM 413 C VAL A 29 -3.215 -3.840 -5.680 1.00 0.33 C ATOM 414 O VAL A 29 -4.164 -4.466 -5.207 1.00 32.03 O ATOM 415 CB VAL A 29 -1.577 -5.288 -6.883 1.00 1.21 C ATOM 416 CG1 VAL A 29 -2.577 -6.434 -6.918 1.00 12.15 C ATOM 417 CG2 VAL A 29 -1.672 -4.448 -8.148 1.00 2.11 C ATOM 0 H VAL A 29 -2.290 -5.868 -4.209 1.00 42.44 H new ATOM 0 HA VAL A 29 -1.083 -3.592 -5.642 1.00 15.15 H new ATOM 0 HB VAL A 29 -0.575 -5.714 -6.830 1.00 1.21 H new ATOM 0 HG11 VAL A 29 -2.402 -7.043 -7.805 1.00 12.15 H new ATOM 0 HG12 VAL A 29 -2.457 -7.049 -6.026 1.00 12.15 H new ATOM 0 HG13 VAL A 29 -3.590 -6.032 -6.948 1.00 12.15 H new ATOM 0 HG21 VAL A 29 -1.510 -5.083 -9.019 1.00 2.11 H new ATOM 0 HG22 VAL A 29 -2.661 -3.993 -8.209 1.00 2.11 H new ATOM 0 HG23 VAL A 29 -0.914 -3.666 -8.123 1.00 2.11 H new ATOM 427 N ARG A 30 -3.348 -2.646 -6.249 1.00 61.13 N ATOM 428 CA ARG A 30 -4.645 -1.989 -6.354 1.00 50.20 C ATOM 429 C ARG A 30 -5.157 -2.021 -7.791 1.00 3.02 C ATOM 430 O ARG A 30 -4.384 -1.886 -8.740 1.00 20.53 O ATOM 431 CB ARG A 30 -4.548 -0.542 -5.867 1.00 61.33 C ATOM 432 CG ARG A 30 -5.894 0.155 -5.759 1.00 45.40 C ATOM 433 CD ARG A 30 -5.839 1.563 -6.332 1.00 51.53 C ATOM 434 NE ARG A 30 -5.643 1.558 -7.779 1.00 44.24 N ATOM 435 CZ ARG A 30 -5.255 2.622 -8.472 1.00 61.14 C ATOM 436 NH1 ARG A 30 -5.023 3.771 -7.853 1.00 24.31 N ATOM 437 NH2 ARG A 30 -5.099 2.538 -9.787 1.00 64.51 N ATOM 0 H ARG A 30 -2.573 -2.114 -6.644 1.00 61.13 H new ATOM 0 HA ARG A 30 -5.351 -2.531 -5.724 1.00 50.20 H new ATOM 0 HB2 ARG A 30 -4.061 -0.528 -4.892 1.00 61.33 H new ATOM 0 HB3 ARG A 30 -3.911 0.020 -6.549 1.00 61.33 H new ATOM 0 HG2 ARG A 30 -6.649 -0.426 -6.289 1.00 45.40 H new ATOM 0 HG3 ARG A 30 -6.200 0.198 -4.714 1.00 45.40 H new ATOM 0 HD2 ARG A 30 -6.764 2.088 -6.093 1.00 51.53 H new ATOM 0 HD3 ARG A 30 -5.028 2.116 -5.858 1.00 51.53 H new ATOM 0 HE ARG A 30 -5.814 0.689 -8.285 1.00 44.24 H new ATOM 0 HH11 ARG A 30 -5.142 3.839 -6.842 1.00 24.31 H new ATOM 0 HH12 ARG A 30 -4.725 4.587 -8.387 1.00 24.31 H new ATOM 0 HH21 ARG A 30 -5.277 1.655 -10.266 1.00 64.51 H new ATOM 0 HH22 ARG A 30 -4.801 3.356 -10.318 1.00 64.51 H new ATOM 451 N CYS A 31 -6.464 -2.201 -7.945 1.00 52.40 N ATOM 452 CA CYS A 31 -7.079 -2.251 -9.265 1.00 54.34 C ATOM 453 C CYS A 31 -7.213 -0.851 -9.857 1.00 54.11 C ATOM 454 O CYS A 31 -7.531 0.104 -9.150 1.00 5.42 O ATOM 455 CB CYS A 31 -8.456 -2.916 -9.185 1.00 32.31 C ATOM 456 SG CYS A 31 -9.278 -3.120 -10.797 1.00 53.32 S ATOM 0 H CYS A 31 -7.118 -2.315 -7.171 1.00 52.40 H new ATOM 0 HA CYS A 31 -6.434 -2.842 -9.916 1.00 54.34 H new ATOM 0 HB2 CYS A 31 -8.348 -3.895 -8.718 1.00 32.31 H new ATOM 0 HB3 CYS A 31 -9.098 -2.321 -8.535 1.00 32.31 H new ATOM 0 HG CYS A 31 -9.950 -4.233 -10.804 1.00 53.32 H new ATOM 461 N ASP A 32 -6.969 -0.739 -11.158 1.00 1.11 N ATOM 462 CA ASP A 32 -7.063 0.543 -11.847 1.00 14.35 C ATOM 463 C ASP A 32 -8.399 0.674 -12.571 1.00 63.34 C ATOM 464 O ASP A 32 -8.476 1.266 -13.648 1.00 4.03 O ATOM 465 CB ASP A 32 -5.911 0.699 -12.839 1.00 45.04 C ATOM 466 CG ASP A 32 -5.549 2.151 -13.083 1.00 73.55 C ATOM 467 OD1 ASP A 32 -6.451 2.937 -13.440 1.00 15.10 O ATOM 468 OD2 ASP A 32 -4.361 2.501 -12.916 1.00 43.03 O ATOM 0 H ASP A 32 -6.704 -1.521 -11.757 1.00 1.11 H new ATOM 0 HA ASP A 32 -6.997 1.335 -11.101 1.00 14.35 H new ATOM 0 HB2 ASP A 32 -5.037 0.168 -12.462 1.00 45.04 H new ATOM 0 HB3 ASP A 32 -6.184 0.232 -13.785 1.00 45.04 H new ATOM 473 N ASP A 33 -9.447 0.116 -11.976 1.00 75.34 N ATOM 474 CA ASP A 33 -10.779 0.169 -12.565 1.00 4.32 C ATOM 475 C ASP A 33 -11.844 0.349 -11.487 1.00 21.13 C ATOM 476 O ASP A 33 -12.784 1.127 -11.651 1.00 73.24 O ATOM 477 CB ASP A 33 -11.057 -1.103 -13.367 1.00 43.02 C ATOM 478 CG ASP A 33 -12.149 -0.909 -14.401 1.00 21.41 C ATOM 479 OD1 ASP A 33 -11.823 -0.512 -15.540 1.00 71.32 O ATOM 480 OD2 ASP A 33 -13.329 -1.152 -14.073 1.00 15.13 O ATOM 0 H ASP A 33 -9.400 -0.379 -11.085 1.00 75.34 H new ATOM 0 HA ASP A 33 -10.818 1.027 -13.236 1.00 4.32 H new ATOM 0 HB2 ASP A 33 -10.142 -1.422 -13.865 1.00 43.02 H new ATOM 0 HB3 ASP A 33 -11.344 -1.903 -12.685 1.00 43.02 H new ATOM 485 N CYS A 34 -11.689 -0.376 -10.385 1.00 14.23 N ATOM 486 CA CYS A 34 -12.636 -0.299 -9.279 1.00 1.43 C ATOM 487 C CYS A 34 -11.959 0.228 -8.017 1.00 43.11 C ATOM 488 O CYS A 34 -12.623 0.555 -7.033 1.00 0.11 O ATOM 489 CB CYS A 34 -13.247 -1.674 -9.006 1.00 73.34 C ATOM 490 SG CYS A 34 -12.047 -2.920 -8.433 1.00 74.11 S ATOM 0 H CYS A 34 -10.916 -1.024 -10.234 1.00 14.23 H new ATOM 0 HA CYS A 34 -13.428 0.394 -9.561 1.00 1.43 H new ATOM 0 HB2 CYS A 34 -14.031 -1.569 -8.257 1.00 73.34 H new ATOM 0 HB3 CYS A 34 -13.723 -2.036 -9.917 1.00 73.34 H new ATOM 0 HG CYS A 34 -11.082 -3.023 -9.298 1.00 74.11 H new ATOM 495 N PHE A 35 -10.633 0.309 -8.054 1.00 41.12 N ATOM 496 CA PHE A 35 -9.864 0.796 -6.914 1.00 50.45 C ATOM 497 C PHE A 35 -10.082 -0.093 -5.693 1.00 2.14 C ATOM 498 O PHE A 35 -10.719 0.313 -4.720 1.00 62.54 O ATOM 499 CB PHE A 35 -10.257 2.238 -6.586 1.00 12.30 C ATOM 500 CG PHE A 35 -10.101 3.180 -7.745 1.00 65.41 C ATOM 501 CD1 PHE A 35 -8.855 3.684 -8.082 1.00 14.14 C ATOM 502 CD2 PHE A 35 -11.200 3.561 -8.498 1.00 24.42 C ATOM 503 CE1 PHE A 35 -8.708 4.551 -9.148 1.00 23.34 C ATOM 504 CE2 PHE A 35 -11.057 4.428 -9.566 1.00 54.43 C ATOM 505 CZ PHE A 35 -9.810 4.924 -9.891 1.00 41.50 C ATOM 0 H PHE A 35 -10.068 0.044 -8.861 1.00 41.12 H new ATOM 0 HA PHE A 35 -8.807 0.766 -7.180 1.00 50.45 H new ATOM 0 HB2 PHE A 35 -11.294 2.256 -6.250 1.00 12.30 H new ATOM 0 HB3 PHE A 35 -9.647 2.592 -5.755 1.00 12.30 H new ATOM 0 HD1 PHE A 35 -7.989 3.396 -7.505 1.00 14.14 H new ATOM 0 HD2 PHE A 35 -12.178 3.177 -8.248 1.00 24.42 H new ATOM 0 HE1 PHE A 35 -7.731 4.937 -9.400 1.00 23.34 H new ATOM 0 HE2 PHE A 35 -11.921 4.717 -10.146 1.00 54.43 H new ATOM 0 HZ PHE A 35 -9.697 5.602 -10.724 1.00 41.50 H new ATOM 515 N LYS A 36 -9.548 -1.308 -5.751 1.00 15.21 N ATOM 516 CA LYS A 36 -9.681 -2.256 -4.650 1.00 1.32 C ATOM 517 C LYS A 36 -8.370 -2.995 -4.406 1.00 64.45 C ATOM 518 O LYS A 36 -7.642 -3.314 -5.349 1.00 15.24 O ATOM 519 CB LYS A 36 -10.798 -3.259 -4.947 1.00 32.41 C ATOM 520 CG LYS A 36 -11.635 -3.614 -3.731 1.00 54.43 C ATOM 521 CD LYS A 36 -12.718 -2.578 -3.477 1.00 0.04 C ATOM 522 CE LYS A 36 -13.643 -3.003 -2.347 1.00 71.34 C ATOM 523 NZ LYS A 36 -15.035 -2.516 -2.558 1.00 74.52 N ATOM 0 H LYS A 36 -9.019 -1.660 -6.549 1.00 15.21 H new ATOM 0 HA LYS A 36 -9.934 -1.696 -3.750 1.00 1.32 H new ATOM 0 HB2 LYS A 36 -11.449 -2.847 -5.718 1.00 32.41 H new ATOM 0 HB3 LYS A 36 -10.358 -4.170 -5.354 1.00 32.41 H new ATOM 0 HG2 LYS A 36 -12.093 -4.592 -3.877 1.00 54.43 H new ATOM 0 HG3 LYS A 36 -10.991 -3.691 -2.855 1.00 54.43 H new ATOM 0 HD2 LYS A 36 -12.257 -1.621 -3.231 1.00 0.04 H new ATOM 0 HD3 LYS A 36 -13.299 -2.427 -4.387 1.00 0.04 H new ATOM 0 HE2 LYS A 36 -13.646 -4.090 -2.270 1.00 71.34 H new ATOM 0 HE3 LYS A 36 -13.262 -2.617 -1.401 1.00 71.34 H new ATOM 0 HZ1 LYS A 36 -15.635 -2.826 -1.767 1.00 74.52 H new ATOM 0 HZ2 LYS A 36 -15.036 -1.477 -2.607 1.00 74.52 H new ATOM 0 HZ3 LYS A 36 -15.408 -2.905 -3.448 1.00 74.52 H new ATOM 537 N TRP A 37 -8.075 -3.267 -3.141 1.00 11.43 N ATOM 538 CA TRP A 37 -6.851 -3.971 -2.776 1.00 21.21 C ATOM 539 C TRP A 37 -6.931 -5.442 -3.169 1.00 71.10 C ATOM 540 O TRP A 37 -7.989 -6.064 -3.071 1.00 2.01 O ATOM 541 CB TRP A 37 -6.595 -3.846 -1.273 1.00 15.55 C ATOM 542 CG TRP A 37 -5.726 -2.680 -0.913 1.00 71.23 C ATOM 543 CD1 TRP A 37 -5.981 -1.727 0.031 1.00 52.32 C ATOM 544 CD2 TRP A 37 -4.461 -2.343 -1.494 1.00 51.41 C ATOM 545 NE1 TRP A 37 -4.952 -0.818 0.072 1.00 24.24 N ATOM 546 CE2 TRP A 37 -4.007 -1.174 -0.853 1.00 32.41 C ATOM 547 CE3 TRP A 37 -3.668 -2.916 -2.492 1.00 21.43 C ATOM 548 CZ2 TRP A 37 -2.796 -0.570 -1.179 1.00 4.14 C ATOM 549 CZ3 TRP A 37 -2.466 -2.314 -2.814 1.00 53.35 C ATOM 550 CH2 TRP A 37 -2.039 -1.151 -2.160 1.00 32.24 C ATOM 0 H TRP A 37 -8.666 -3.011 -2.350 1.00 11.43 H new ATOM 0 HA TRP A 37 -6.023 -3.514 -3.318 1.00 21.21 H new ATOM 0 HB2 TRP A 37 -7.550 -3.751 -0.756 1.00 15.55 H new ATOM 0 HB3 TRP A 37 -6.127 -4.763 -0.914 1.00 15.55 H new ATOM 0 HD1 TRP A 37 -6.862 -1.693 0.654 1.00 52.32 H new ATOM 0 HE1 TRP A 37 -4.900 -0.009 0.691 1.00 24.24 H new ATOM 0 HE3 TRP A 37 -3.988 -3.812 -3.002 1.00 21.43 H new ATOM 0 HZ2 TRP A 37 -2.465 0.326 -0.675 1.00 4.14 H new ATOM 0 HZ3 TRP A 37 -1.845 -2.748 -3.584 1.00 53.35 H new ATOM 0 HH2 TRP A 37 -1.095 -0.705 -2.435 1.00 32.24 H new ATOM 561 N ARG A 38 -5.806 -5.993 -3.615 1.00 54.51 N ATOM 562 CA ARG A 38 -5.751 -7.391 -4.025 1.00 33.23 C ATOM 563 C ARG A 38 -4.395 -8.004 -3.682 1.00 21.01 C ATOM 564 O ARG A 38 -3.352 -7.492 -4.087 1.00 11.25 O ATOM 565 CB ARG A 38 -6.014 -7.516 -5.526 1.00 55.30 C ATOM 566 CG ARG A 38 -6.895 -8.698 -5.894 1.00 13.31 C ATOM 567 CD ARG A 38 -8.344 -8.276 -6.087 1.00 10.25 C ATOM 568 NE ARG A 38 -9.234 -9.423 -6.239 1.00 33.01 N ATOM 569 CZ ARG A 38 -10.550 -9.359 -6.074 1.00 21.11 C ATOM 570 NH1 ARG A 38 -11.127 -8.209 -5.754 1.00 21.21 N ATOM 571 NH2 ARG A 38 -11.294 -10.448 -6.230 1.00 22.34 N ATOM 0 H ARG A 38 -4.921 -5.493 -3.701 1.00 54.51 H new ATOM 0 HA ARG A 38 -6.525 -7.934 -3.482 1.00 33.23 H new ATOM 0 HB2 ARG A 38 -6.484 -6.599 -5.881 1.00 55.30 H new ATOM 0 HB3 ARG A 38 -5.061 -7.608 -6.047 1.00 55.30 H new ATOM 0 HG2 ARG A 38 -6.524 -9.158 -6.810 1.00 13.31 H new ATOM 0 HG3 ARG A 38 -6.837 -9.454 -5.111 1.00 13.31 H new ATOM 0 HD2 ARG A 38 -8.664 -7.680 -5.233 1.00 10.25 H new ATOM 0 HD3 ARG A 38 -8.421 -7.638 -6.968 1.00 10.25 H new ATOM 0 HE ARG A 38 -8.822 -10.323 -6.486 1.00 33.01 H new ATOM 0 HH11 ARG A 38 -10.560 -7.370 -5.634 1.00 21.21 H new ATOM 0 HH12 ARG A 38 -12.138 -8.163 -5.628 1.00 21.21 H new ATOM 0 HH21 ARG A 38 -10.855 -11.335 -6.477 1.00 22.34 H new ATOM 0 HH22 ARG A 38 -12.305 -10.398 -6.103 1.00 22.34 H new ATOM 585 N ARG A 39 -4.420 -9.103 -2.935 1.00 3.14 N ATOM 586 CA ARG A 39 -3.195 -9.784 -2.538 1.00 31.35 C ATOM 587 C ARG A 39 -2.731 -10.748 -3.626 1.00 72.31 C ATOM 588 O ARG A 39 -3.475 -11.638 -4.038 1.00 65.03 O ATOM 589 CB ARG A 39 -3.410 -10.542 -1.227 1.00 73.12 C ATOM 590 CG ARG A 39 -2.117 -10.978 -0.556 1.00 1.41 C ATOM 591 CD ARG A 39 -2.294 -12.288 0.196 1.00 20.12 C ATOM 592 NE ARG A 39 -1.494 -12.330 1.418 1.00 2.25 N ATOM 593 CZ ARG A 39 -1.501 -13.352 2.266 1.00 64.31 C ATOM 594 NH1 ARG A 39 -2.261 -14.412 2.026 1.00 61.02 N ATOM 595 NH2 ARG A 39 -0.745 -13.317 3.357 1.00 4.41 N ATOM 0 H ARG A 39 -5.276 -9.540 -2.593 1.00 3.14 H new ATOM 0 HA ARG A 39 -2.421 -9.030 -2.391 1.00 31.35 H new ATOM 0 HB2 ARG A 39 -3.971 -9.909 -0.539 1.00 73.12 H new ATOM 0 HB3 ARG A 39 -4.023 -11.422 -1.422 1.00 73.12 H new ATOM 0 HG2 ARG A 39 -1.336 -11.091 -1.308 1.00 1.41 H new ATOM 0 HG3 ARG A 39 -1.785 -10.203 0.134 1.00 1.41 H new ATOM 0 HD2 ARG A 39 -3.346 -12.423 0.447 1.00 20.12 H new ATOM 0 HD3 ARG A 39 -2.012 -13.118 -0.451 1.00 20.12 H new ATOM 0 HE ARG A 39 -0.898 -11.531 1.631 1.00 2.25 H new ATOM 0 HH11 ARG A 39 -2.842 -14.444 1.188 1.00 61.02 H new ATOM 0 HH12 ARG A 39 -2.264 -15.196 2.679 1.00 61.02 H new ATOM 0 HH21 ARG A 39 -0.158 -12.504 3.545 1.00 4.41 H new ATOM 0 HH22 ARG A 39 -0.751 -14.103 4.007 1.00 4.41 H new ATOM 609 N ILE A 40 -1.497 -10.564 -4.086 1.00 53.42 N ATOM 610 CA ILE A 40 -0.935 -11.418 -5.124 1.00 44.53 C ATOM 611 C ILE A 40 0.421 -11.974 -4.705 1.00 22.25 C ATOM 612 O ILE A 40 1.143 -11.378 -3.904 1.00 64.21 O ATOM 613 CB ILE A 40 -0.777 -10.656 -6.454 1.00 62.43 C ATOM 614 CG1 ILE A 40 0.397 -9.679 -6.370 1.00 63.43 C ATOM 615 CG2 ILE A 40 -2.063 -9.920 -6.799 1.00 23.02 C ATOM 616 CD1 ILE A 40 0.542 -8.802 -7.594 1.00 63.23 C ATOM 0 H ILE A 40 -0.869 -9.831 -3.756 1.00 53.42 H new ATOM 0 HA ILE A 40 -1.633 -12.243 -5.267 1.00 44.53 H new ATOM 0 HB ILE A 40 -0.570 -11.376 -7.246 1.00 62.43 H new ATOM 0 HG12 ILE A 40 0.270 -9.046 -5.492 1.00 63.43 H new ATOM 0 HG13 ILE A 40 1.319 -10.243 -6.226 1.00 63.43 H new ATOM 0 HG21 ILE A 40 -1.935 -9.387 -7.741 1.00 23.02 H new ATOM 0 HG22 ILE A 40 -2.878 -10.637 -6.896 1.00 23.02 H new ATOM 0 HG23 ILE A 40 -2.298 -9.208 -6.008 1.00 23.02 H new ATOM 0 HD11 ILE A 40 1.394 -8.135 -7.465 1.00 63.23 H new ATOM 0 HD12 ILE A 40 0.701 -9.427 -8.473 1.00 63.23 H new ATOM 0 HD13 ILE A 40 -0.364 -8.211 -7.728 1.00 63.23 H new ATOM 628 N PRO A 41 0.779 -13.142 -5.260 1.00 11.54 N ATOM 629 CA PRO A 41 2.053 -13.802 -4.959 1.00 64.24 C ATOM 630 C PRO A 41 3.246 -13.051 -5.538 1.00 2.01 C ATOM 631 O PRO A 41 3.113 -12.312 -6.514 1.00 34.03 O ATOM 632 CB PRO A 41 1.908 -15.171 -5.628 1.00 61.13 C ATOM 633 CG PRO A 41 0.921 -14.956 -6.724 1.00 11.13 C ATOM 634 CD PRO A 41 -0.031 -13.906 -6.221 1.00 50.43 C ATOM 0 HA PRO A 41 2.243 -13.853 -3.887 1.00 64.24 H new ATOM 0 HB2 PRO A 41 2.863 -15.524 -6.019 1.00 61.13 H new ATOM 0 HB3 PRO A 41 1.556 -15.922 -4.920 1.00 61.13 H new ATOM 0 HG2 PRO A 41 1.417 -14.628 -7.638 1.00 11.13 H new ATOM 0 HG3 PRO A 41 0.394 -15.880 -6.962 1.00 11.13 H new ATOM 0 HD2 PRO A 41 -0.396 -13.274 -7.031 1.00 50.43 H new ATOM 0 HD3 PRO A 41 -0.905 -14.351 -5.745 1.00 50.43 H new ATOM 642 N ALA A 42 4.412 -13.244 -4.930 1.00 23.23 N ATOM 643 CA ALA A 42 5.630 -12.585 -5.387 1.00 12.22 C ATOM 644 C ALA A 42 6.044 -13.092 -6.764 1.00 25.32 C ATOM 645 O ALA A 42 6.905 -12.504 -7.419 1.00 22.02 O ATOM 646 CB ALA A 42 6.754 -12.799 -4.383 1.00 71.54 C ATOM 0 H ALA A 42 4.539 -13.851 -4.120 1.00 23.23 H new ATOM 0 HA ALA A 42 5.428 -11.517 -5.468 1.00 12.22 H new ATOM 0 HB1 ALA A 42 7.657 -12.302 -4.737 1.00 71.54 H new ATOM 0 HB2 ALA A 42 6.464 -12.382 -3.418 1.00 71.54 H new ATOM 0 HB3 ALA A 42 6.946 -13.866 -4.274 1.00 71.54 H new ATOM 652 N SER A 43 5.426 -14.185 -7.197 1.00 63.34 N ATOM 653 CA SER A 43 5.734 -14.773 -8.496 1.00 31.52 C ATOM 654 C SER A 43 5.086 -13.974 -9.623 1.00 14.23 C ATOM 655 O SER A 43 5.666 -13.808 -10.695 1.00 24.13 O ATOM 656 CB SER A 43 5.259 -16.227 -8.547 1.00 44.34 C ATOM 657 OG SER A 43 6.328 -17.102 -8.859 1.00 31.31 O ATOM 0 H SER A 43 4.709 -14.682 -6.668 1.00 63.34 H new ATOM 0 HA SER A 43 6.815 -14.746 -8.632 1.00 31.52 H new ATOM 0 HB2 SER A 43 4.826 -16.505 -7.586 1.00 44.34 H new ATOM 0 HB3 SER A 43 4.471 -16.330 -9.293 1.00 44.34 H new ATOM 0 HG SER A 43 5.999 -18.025 -8.884 1.00 31.31 H new ATOM 663 N VAL A 44 3.877 -13.481 -9.370 1.00 20.44 N ATOM 664 CA VAL A 44 3.148 -12.698 -10.361 1.00 34.12 C ATOM 665 C VAL A 44 3.423 -11.208 -10.193 1.00 50.33 C ATOM 666 O VAL A 44 3.399 -10.449 -11.162 1.00 1.53 O ATOM 667 CB VAL A 44 1.631 -12.944 -10.264 1.00 1.33 C ATOM 668 CG1 VAL A 44 1.065 -12.304 -9.005 1.00 63.44 C ATOM 669 CG2 VAL A 44 0.926 -12.414 -11.504 1.00 30.12 C ATOM 0 H VAL A 44 3.382 -13.610 -8.487 1.00 20.44 H new ATOM 0 HA VAL A 44 3.498 -13.021 -11.341 1.00 34.12 H new ATOM 0 HB VAL A 44 1.458 -14.019 -10.206 1.00 1.33 H new ATOM 0 HG11 VAL A 44 -0.008 -12.488 -8.954 1.00 63.44 H new ATOM 0 HG12 VAL A 44 1.549 -12.735 -8.129 1.00 63.44 H new ATOM 0 HG13 VAL A 44 1.248 -11.230 -9.029 1.00 63.44 H new ATOM 0 HG21 VAL A 44 -0.145 -12.596 -11.419 1.00 30.12 H new ATOM 0 HG22 VAL A 44 1.106 -11.343 -11.595 1.00 30.12 H new ATOM 0 HG23 VAL A 44 1.312 -12.923 -12.387 1.00 30.12 H new ATOM 679 N VAL A 45 3.684 -10.795 -8.957 1.00 21.33 N ATOM 680 CA VAL A 45 3.965 -9.395 -8.662 1.00 12.43 C ATOM 681 C VAL A 45 5.131 -8.880 -9.498 1.00 72.31 C ATOM 682 O VAL A 45 5.241 -7.683 -9.760 1.00 14.22 O ATOM 683 CB VAL A 45 4.287 -9.190 -7.170 1.00 25.25 C ATOM 684 CG1 VAL A 45 5.764 -9.443 -6.903 1.00 12.13 C ATOM 685 CG2 VAL A 45 3.890 -7.789 -6.728 1.00 14.03 C ATOM 0 H VAL A 45 3.707 -11.410 -8.144 1.00 21.33 H new ATOM 0 HA VAL A 45 3.066 -8.832 -8.913 1.00 12.43 H new ATOM 0 HB VAL A 45 3.709 -9.908 -6.589 1.00 25.25 H new ATOM 0 HG11 VAL A 45 5.973 -9.293 -5.844 1.00 12.13 H new ATOM 0 HG12 VAL A 45 6.014 -10.467 -7.181 1.00 12.13 H new ATOM 0 HG13 VAL A 45 6.364 -8.750 -7.493 1.00 12.13 H new ATOM 0 HG21 VAL A 45 4.124 -7.661 -5.671 1.00 14.03 H new ATOM 0 HG22 VAL A 45 4.441 -7.053 -7.314 1.00 14.03 H new ATOM 0 HG23 VAL A 45 2.820 -7.648 -6.882 1.00 14.03 H new ATOM 695 N GLY A 46 6.001 -9.794 -9.917 1.00 75.01 N ATOM 696 CA GLY A 46 7.149 -9.414 -10.720 1.00 43.52 C ATOM 697 C GLY A 46 6.937 -9.683 -12.197 1.00 72.44 C ATOM 698 O GLY A 46 7.898 -9.792 -12.959 1.00 34.04 O ATOM 0 H GLY A 46 5.931 -10.791 -9.715 1.00 75.01 H new ATOM 0 HA2 GLY A 46 7.357 -8.354 -10.573 1.00 43.52 H new ATOM 0 HA3 GLY A 46 8.027 -9.962 -10.376 1.00 43.52 H new ATOM 702 N SER A 47 5.676 -9.792 -12.602 1.00 63.23 N ATOM 703 CA SER A 47 5.341 -10.056 -13.997 1.00 12.23 C ATOM 704 C SER A 47 4.211 -9.145 -14.466 1.00 43.33 C ATOM 705 O SER A 47 4.238 -8.630 -15.585 1.00 72.01 O ATOM 706 CB SER A 47 4.939 -11.521 -14.179 1.00 32.05 C ATOM 707 OG SER A 47 5.886 -12.387 -13.578 1.00 71.14 O ATOM 0 H SER A 47 4.869 -9.702 -11.984 1.00 63.23 H new ATOM 0 HA SER A 47 6.224 -9.851 -14.602 1.00 12.23 H new ATOM 0 HB2 SER A 47 3.956 -11.689 -13.738 1.00 32.05 H new ATOM 0 HB3 SER A 47 4.855 -11.749 -15.242 1.00 32.05 H new ATOM 0 HG SER A 47 5.559 -12.669 -12.698 1.00 71.14 H new ATOM 713 N ILE A 48 3.219 -8.950 -13.604 1.00 35.22 N ATOM 714 CA ILE A 48 2.081 -8.101 -13.928 1.00 43.32 C ATOM 715 C ILE A 48 2.489 -6.633 -13.989 1.00 60.42 C ATOM 716 O ILE A 48 1.849 -5.827 -14.665 1.00 14.11 O ATOM 717 CB ILE A 48 0.945 -8.264 -12.900 1.00 74.24 C ATOM 718 CG1 ILE A 48 1.470 -8.013 -11.485 1.00 43.51 C ATOM 719 CG2 ILE A 48 0.331 -9.652 -13.005 1.00 60.34 C ATOM 720 CD1 ILE A 48 0.845 -6.810 -10.814 1.00 31.41 C ATOM 0 H ILE A 48 3.181 -9.369 -12.675 1.00 35.22 H new ATOM 0 HA ILE A 48 1.722 -8.417 -14.907 1.00 43.32 H new ATOM 0 HB ILE A 48 0.170 -7.528 -13.116 1.00 74.24 H new ATOM 0 HG12 ILE A 48 1.284 -8.897 -10.875 1.00 43.51 H new ATOM 0 HG13 ILE A 48 2.551 -7.876 -11.526 1.00 43.51 H new ATOM 0 HG21 ILE A 48 -0.470 -9.752 -12.272 1.00 60.34 H new ATOM 0 HG22 ILE A 48 -0.073 -9.796 -14.007 1.00 60.34 H new ATOM 0 HG23 ILE A 48 1.096 -10.404 -12.811 1.00 60.34 H new ATOM 0 HD11 ILE A 48 1.264 -6.692 -9.815 1.00 31.41 H new ATOM 0 HD12 ILE A 48 1.053 -5.916 -11.402 1.00 31.41 H new ATOM 0 HD13 ILE A 48 -0.233 -6.953 -10.741 1.00 31.41 H new ATOM 805 N TRP A 54 -2.628 -2.387 -12.963 1.00 65.01 N ATOM 806 CA TRP A 54 -3.084 -3.748 -12.707 1.00 21.20 C ATOM 807 C TRP A 54 -4.580 -3.775 -12.415 1.00 44.52 C ATOM 808 O TRP A 54 -5.115 -2.862 -11.784 1.00 70.53 O ATOM 809 CB TRP A 54 -2.312 -4.353 -11.534 1.00 72.30 C ATOM 810 CG TRP A 54 -2.829 -5.695 -11.111 1.00 50.24 C ATOM 811 CD1 TRP A 54 -2.304 -6.914 -11.433 1.00 20.54 C ATOM 812 CD2 TRP A 54 -3.975 -5.953 -10.292 1.00 53.34 C ATOM 813 NE1 TRP A 54 -3.054 -7.915 -10.863 1.00 12.21 N ATOM 814 CE2 TRP A 54 -4.084 -7.351 -10.157 1.00 50.02 C ATOM 815 CE3 TRP A 54 -4.918 -5.139 -9.659 1.00 72.22 C ATOM 816 CZ2 TRP A 54 -5.098 -7.950 -9.415 1.00 51.44 C ATOM 817 CZ3 TRP A 54 -5.925 -5.736 -8.923 1.00 24.20 C ATOM 818 CH2 TRP A 54 -6.008 -7.129 -8.806 1.00 73.24 C ATOM 0 HA TRP A 54 -2.897 -4.342 -13.602 1.00 21.20 H new ATOM 0 HB2 TRP A 54 -1.262 -4.447 -11.809 1.00 72.30 H new ATOM 0 HB3 TRP A 54 -2.359 -3.670 -10.686 1.00 72.30 H new ATOM 0 HD1 TRP A 54 -1.428 -7.069 -12.046 1.00 20.54 H new ATOM 0 HE1 TRP A 54 -2.873 -8.915 -10.951 1.00 12.21 H new ATOM 0 HE3 TRP A 54 -4.861 -4.064 -9.743 1.00 72.22 H new ATOM 0 HZ2 TRP A 54 -5.164 -9.024 -9.323 1.00 51.44 H new ATOM 0 HZ3 TRP A 54 -6.660 -5.117 -8.430 1.00 24.20 H new ATOM 0 HH2 TRP A 54 -6.806 -7.564 -8.223 1.00 73.24 H new ATOM 829 N ILE A 55 -5.250 -4.825 -12.877 1.00 12.32 N ATOM 830 CA ILE A 55 -6.685 -4.970 -12.664 1.00 21.23 C ATOM 831 C ILE A 55 -7.021 -6.348 -12.105 1.00 41.51 C ATOM 832 O ILE A 55 -6.197 -7.262 -12.139 1.00 62.55 O ATOM 833 CB ILE A 55 -7.473 -4.751 -13.968 1.00 25.11 C ATOM 834 CG1 ILE A 55 -6.781 -5.460 -15.133 1.00 61.24 C ATOM 835 CG2 ILE A 55 -7.618 -3.264 -14.256 1.00 31.40 C ATOM 836 CD1 ILE A 55 -7.446 -5.217 -16.470 1.00 64.34 C ATOM 0 H ILE A 55 -4.822 -5.588 -13.401 1.00 12.32 H new ATOM 0 HA ILE A 55 -6.975 -4.207 -11.942 1.00 21.23 H new ATOM 0 HB ILE A 55 -8.469 -5.177 -13.849 1.00 25.11 H new ATOM 0 HG12 ILE A 55 -5.744 -5.127 -15.186 1.00 61.24 H new ATOM 0 HG13 ILE A 55 -6.762 -6.532 -14.936 1.00 61.24 H new ATOM 0 HG21 ILE A 55 -8.177 -3.125 -15.181 1.00 31.40 H new ATOM 0 HG22 ILE A 55 -8.151 -2.785 -13.435 1.00 31.40 H new ATOM 0 HG23 ILE A 55 -6.630 -2.815 -14.359 1.00 31.40 H new ATOM 0 HD11 ILE A 55 -6.902 -5.750 -17.249 1.00 64.34 H new ATOM 0 HD12 ILE A 55 -8.475 -5.576 -16.435 1.00 64.34 H new ATOM 0 HD13 ILE A 55 -7.442 -4.149 -16.690 1.00 64.34 H new ATOM 848 N CYS A 56 -8.238 -6.492 -11.591 1.00 42.23 N ATOM 849 CA CYS A 56 -8.686 -7.759 -11.027 1.00 11.02 C ATOM 850 C CYS A 56 -8.580 -8.881 -12.055 1.00 32.32 C ATOM 851 O CYS A 56 -8.012 -9.937 -11.780 1.00 21.43 O ATOM 852 CB CYS A 56 -10.129 -7.639 -10.533 1.00 32.00 C ATOM 853 SG CYS A 56 -10.402 -6.277 -9.354 1.00 63.42 S ATOM 0 H CYS A 56 -8.932 -5.746 -11.554 1.00 42.23 H new ATOM 0 HA CYS A 56 -8.039 -8.001 -10.184 1.00 11.02 H new ATOM 0 HB2 CYS A 56 -10.785 -7.498 -11.392 1.00 32.00 H new ATOM 0 HB3 CYS A 56 -10.419 -8.578 -10.061 1.00 32.00 H new ATOM 0 HG CYS A 56 -11.204 -5.401 -9.882 1.00 63.42 H new ATOM 858 N MET A 57 -9.131 -8.643 -13.241 1.00 31.25 N ATOM 859 CA MET A 57 -9.097 -9.633 -14.312 1.00 12.01 C ATOM 860 C MET A 57 -7.660 -9.992 -14.675 1.00 24.41 C ATOM 861 O MET A 57 -7.402 -11.037 -15.269 1.00 35.42 O ATOM 862 CB MET A 57 -9.832 -9.107 -15.546 1.00 25.21 C ATOM 863 CG MET A 57 -9.293 -7.779 -16.054 1.00 34.14 C ATOM 864 SD MET A 57 -10.600 -6.585 -16.397 1.00 21.25 S ATOM 865 CE MET A 57 -11.089 -6.131 -14.735 1.00 55.51 C ATOM 0 H MET A 57 -9.606 -7.774 -13.485 1.00 31.25 H new ATOM 0 HA MET A 57 -9.598 -10.533 -13.957 1.00 12.01 H new ATOM 0 HB2 MET A 57 -9.762 -9.847 -16.343 1.00 25.21 H new ATOM 0 HB3 MET A 57 -10.890 -8.993 -15.308 1.00 25.21 H new ATOM 0 HG2 MET A 57 -8.610 -7.362 -15.314 1.00 34.14 H new ATOM 0 HG3 MET A 57 -8.714 -7.949 -16.962 1.00 34.14 H new ATOM 0 HE1 MET A 57 -11.613 -5.176 -14.758 1.00 55.51 H new ATOM 0 HE2 MET A 57 -11.749 -6.897 -14.328 1.00 55.51 H new ATOM 0 HE3 MET A 57 -10.203 -6.044 -14.106 1.00 55.51 H new ATOM 875 N ASN A 58 -6.727 -9.116 -14.314 1.00 21.51 N ATOM 876 CA ASN A 58 -5.315 -9.340 -14.604 1.00 41.14 C ATOM 877 C ASN A 58 -4.664 -10.189 -13.516 1.00 53.42 C ATOM 878 O ASN A 58 -3.521 -10.621 -13.652 1.00 63.21 O ATOM 879 CB ASN A 58 -4.581 -8.004 -14.731 1.00 63.31 C ATOM 880 CG ASN A 58 -4.489 -7.529 -16.169 1.00 51.31 C ATOM 881 OD1 ASN A 58 -3.439 -7.069 -16.617 1.00 55.13 O ATOM 882 ND2 ASN A 58 -5.594 -7.636 -16.898 1.00 62.42 N ATOM 0 H ASN A 58 -6.923 -8.245 -13.821 1.00 21.51 H new ATOM 0 HA ASN A 58 -5.245 -9.877 -15.550 1.00 41.14 H new ATOM 0 HB2 ASN A 58 -5.097 -7.251 -14.135 1.00 63.31 H new ATOM 0 HB3 ASN A 58 -3.577 -8.104 -14.319 1.00 63.31 H new ATOM 0 HD21 ASN A 58 -5.595 -7.330 -17.871 1.00 62.42 H new ATOM 0 HD22 ASN A 58 -6.442 -8.024 -16.485 1.00 62.42 H new ATOM 889 N ASN A 59 -5.403 -10.424 -12.436 1.00 44.21 N ATOM 890 CA ASN A 59 -4.899 -11.221 -11.324 1.00 31.12 C ATOM 891 C ASN A 59 -4.493 -12.614 -11.794 1.00 74.33 C ATOM 892 O ASN A 59 -4.982 -13.105 -12.811 1.00 33.12 O ATOM 893 CB ASN A 59 -5.958 -11.329 -10.226 1.00 15.24 C ATOM 894 CG ASN A 59 -5.369 -11.754 -8.893 1.00 64.14 C ATOM 895 OD1 ASN A 59 -4.157 -11.688 -8.689 1.00 25.33 O ATOM 896 ND2 ASN A 59 -6.227 -12.195 -7.981 1.00 0.34 N ATOM 0 H ASN A 59 -6.352 -10.074 -12.308 1.00 44.21 H new ATOM 0 HA ASN A 59 -4.018 -10.722 -10.921 1.00 31.12 H new ATOM 0 HB2 ASN A 59 -6.456 -10.366 -10.110 1.00 15.24 H new ATOM 0 HB3 ASN A 59 -6.720 -12.047 -10.529 1.00 15.24 H new ATOM 0 HD21 ASN A 59 -5.889 -12.497 -7.067 1.00 0.34 H new ATOM 0 HD22 ASN A 59 -7.224 -12.232 -8.194 1.00 0.34 H new ATOM 903 N SER A 60 -3.595 -13.248 -11.045 1.00 43.32 N ATOM 904 CA SER A 60 -3.121 -14.583 -11.386 1.00 34.13 C ATOM 905 C SER A 60 -4.158 -15.639 -11.017 1.00 21.45 C ATOM 906 O SER A 60 -4.182 -16.729 -11.589 1.00 71.32 O ATOM 907 CB SER A 60 -1.800 -14.877 -10.670 1.00 42.42 C ATOM 908 OG SER A 60 -1.652 -14.063 -9.520 1.00 51.55 O ATOM 0 H SER A 60 -3.182 -12.857 -10.198 1.00 43.32 H new ATOM 0 HA SER A 60 -2.958 -14.619 -12.463 1.00 34.13 H new ATOM 0 HB2 SER A 60 -1.764 -15.928 -10.383 1.00 42.42 H new ATOM 0 HB3 SER A 60 -0.967 -14.704 -11.351 1.00 42.42 H new ATOM 0 HG SER A 60 -2.439 -14.164 -8.945 1.00 51.55 H new ATOM 914 N ASP A 61 -5.013 -15.308 -10.056 1.00 12.31 N ATOM 915 CA ASP A 61 -6.056 -16.226 -9.610 1.00 24.33 C ATOM 916 C ASP A 61 -7.093 -16.445 -10.706 1.00 10.20 C ATOM 917 O ASP A 61 -7.066 -15.781 -11.743 1.00 54.45 O ATOM 918 CB ASP A 61 -6.732 -15.688 -8.348 1.00 41.54 C ATOM 919 CG ASP A 61 -6.958 -16.767 -7.307 1.00 4.11 C ATOM 920 OD1 ASP A 61 -6.056 -16.980 -6.470 1.00 72.53 O ATOM 921 OD2 ASP A 61 -8.036 -17.396 -7.329 1.00 72.41 O ATOM 0 H ASP A 61 -5.005 -14.411 -9.570 1.00 12.31 H new ATOM 0 HA ASP A 61 -5.590 -17.184 -9.382 1.00 24.33 H new ATOM 0 HB2 ASP A 61 -6.117 -14.897 -7.919 1.00 41.54 H new ATOM 0 HB3 ASP A 61 -7.689 -15.239 -8.615 1.00 41.54 H new ATOM 926 N LYS A 62 -8.007 -17.380 -10.470 1.00 43.53 N ATOM 927 CA LYS A 62 -9.055 -17.687 -11.436 1.00 44.34 C ATOM 928 C LYS A 62 -10.437 -17.486 -10.822 1.00 73.34 C ATOM 929 O LYS A 62 -11.442 -17.442 -11.532 1.00 54.12 O ATOM 930 CB LYS A 62 -8.911 -19.126 -11.935 1.00 52.32 C ATOM 931 CG LYS A 62 -8.428 -20.094 -10.869 1.00 54.13 C ATOM 932 CD LYS A 62 -9.414 -20.192 -9.717 1.00 2.11 C ATOM 933 CE LYS A 62 -9.298 -21.525 -8.995 1.00 23.11 C ATOM 934 NZ LYS A 62 -10.052 -22.602 -9.694 1.00 12.32 N ATOM 0 H LYS A 62 -8.043 -17.939 -9.617 1.00 43.53 H new ATOM 0 HA LYS A 62 -8.949 -17.004 -12.279 1.00 44.34 H new ATOM 0 HB2 LYS A 62 -9.874 -19.468 -12.315 1.00 52.32 H new ATOM 0 HB3 LYS A 62 -8.213 -19.143 -12.772 1.00 52.32 H new ATOM 0 HG2 LYS A 62 -8.283 -21.080 -11.310 1.00 54.13 H new ATOM 0 HG3 LYS A 62 -7.458 -19.768 -10.493 1.00 54.13 H new ATOM 0 HD2 LYS A 62 -9.235 -19.379 -9.013 1.00 2.11 H new ATOM 0 HD3 LYS A 62 -10.429 -20.069 -10.094 1.00 2.11 H new ATOM 0 HE2 LYS A 62 -8.248 -21.807 -8.920 1.00 23.11 H new ATOM 0 HE3 LYS A 62 -9.674 -21.421 -7.977 1.00 23.11 H new ATOM 0 HZ1 LYS A 62 -9.948 -23.495 -9.171 1.00 12.32 H new ATOM 0 HZ2 LYS A 62 -11.059 -22.345 -9.744 1.00 12.32 H new ATOM 0 HZ3 LYS A 62 -9.677 -22.720 -10.657 1.00 12.32 H new ATOM 948 N ARG A 63 -10.480 -17.365 -9.499 1.00 42.03 N ATOM 949 CA ARG A 63 -11.739 -17.168 -8.791 1.00 31.41 C ATOM 950 C ARG A 63 -11.848 -15.742 -8.260 1.00 33.53 C ATOM 951 O ARG A 63 -12.946 -15.240 -8.020 1.00 24.32 O ATOM 952 CB ARG A 63 -11.858 -18.165 -7.635 1.00 22.14 C ATOM 953 CG ARG A 63 -13.190 -18.897 -7.597 1.00 64.34 C ATOM 954 CD ARG A 63 -13.350 -19.822 -8.794 1.00 3.23 C ATOM 955 NE ARG A 63 -14.746 -20.189 -9.019 1.00 5.02 N ATOM 956 CZ ARG A 63 -15.417 -21.035 -8.246 1.00 61.30 C ATOM 957 NH1 ARG A 63 -14.823 -21.600 -7.205 1.00 15.44 N ATOM 958 NH2 ARG A 63 -16.685 -21.319 -8.516 1.00 11.31 N ATOM 0 H ARG A 63 -9.658 -17.400 -8.896 1.00 42.03 H new ATOM 0 HA ARG A 63 -12.554 -17.337 -9.495 1.00 31.41 H new ATOM 0 HB2 ARG A 63 -11.053 -18.896 -7.713 1.00 22.14 H new ATOM 0 HB3 ARG A 63 -11.717 -17.635 -6.693 1.00 22.14 H new ATOM 0 HG2 ARG A 63 -13.263 -19.476 -6.676 1.00 64.34 H new ATOM 0 HG3 ARG A 63 -14.005 -18.173 -7.584 1.00 64.34 H new ATOM 0 HD2 ARG A 63 -12.955 -19.334 -9.685 1.00 3.23 H new ATOM 0 HD3 ARG A 63 -12.759 -20.724 -8.637 1.00 3.23 H new ATOM 0 HE ARG A 63 -15.232 -19.773 -9.813 1.00 5.02 H new ATOM 0 HH11 ARG A 63 -13.848 -21.385 -6.996 1.00 15.44 H new ATOM 0 HH12 ARG A 63 -15.341 -22.249 -6.613 1.00 15.44 H new ATOM 0 HH21 ARG A 63 -17.145 -20.887 -9.318 1.00 11.31 H new ATOM 0 HH22 ARG A 63 -17.200 -21.969 -7.922 1.00 11.31 H new ATOM 972 N PHE A 64 -10.701 -15.094 -8.079 1.00 72.05 N ATOM 973 CA PHE A 64 -10.667 -13.726 -7.576 1.00 13.31 C ATOM 974 C PHE A 64 -10.057 -12.783 -8.607 1.00 1.44 C ATOM 975 O PHE A 64 -9.615 -11.684 -8.273 1.00 24.24 O ATOM 976 CB PHE A 64 -9.870 -13.660 -6.271 1.00 61.54 C ATOM 977 CG PHE A 64 -10.688 -13.968 -5.051 1.00 51.33 C ATOM 978 CD1 PHE A 64 -11.206 -15.238 -4.851 1.00 31.42 C ATOM 979 CD2 PHE A 64 -10.942 -12.989 -4.104 1.00 32.12 C ATOM 980 CE1 PHE A 64 -11.960 -15.525 -3.729 1.00 11.22 C ATOM 981 CE2 PHE A 64 -11.695 -13.270 -2.980 1.00 64.13 C ATOM 982 CZ PHE A 64 -12.205 -14.540 -2.792 1.00 1.24 C ATOM 0 H PHE A 64 -9.783 -15.495 -8.273 1.00 72.05 H new ATOM 0 HA PHE A 64 -11.692 -13.410 -7.383 1.00 13.31 H new ATOM 0 HB2 PHE A 64 -9.038 -14.362 -6.327 1.00 61.54 H new ATOM 0 HB3 PHE A 64 -9.440 -12.664 -6.168 1.00 61.54 H new ATOM 0 HD1 PHE A 64 -11.018 -16.012 -5.580 1.00 31.42 H new ATOM 0 HD2 PHE A 64 -10.547 -11.994 -4.246 1.00 32.12 H new ATOM 0 HE1 PHE A 64 -12.357 -16.519 -3.585 1.00 11.22 H new ATOM 0 HE2 PHE A 64 -11.885 -12.498 -2.249 1.00 64.13 H new ATOM 0 HZ PHE A 64 -12.794 -14.762 -1.914 1.00 1.24 H new ATOM 992 N ALA A 65 -10.037 -13.220 -9.862 1.00 30.43 N ATOM 993 CA ALA A 65 -9.482 -12.414 -10.942 1.00 44.44 C ATOM 994 C ALA A 65 -10.589 -11.775 -11.774 1.00 30.03 C ATOM 995 O ALA A 65 -10.819 -12.159 -12.920 1.00 73.24 O ATOM 996 CB ALA A 65 -8.580 -13.265 -11.826 1.00 51.41 C ATOM 0 H ALA A 65 -10.399 -14.127 -10.156 1.00 30.43 H new ATOM 0 HA ALA A 65 -8.889 -11.615 -10.498 1.00 44.44 H new ATOM 0 HB1 ALA A 65 -8.172 -12.650 -12.629 1.00 51.41 H new ATOM 0 HB2 ALA A 65 -7.763 -13.671 -11.229 1.00 51.41 H new ATOM 0 HB3 ALA A 65 -9.158 -14.084 -12.254 1.00 51.41 H new ATOM 1002 N ASP A 66 -11.272 -10.797 -11.188 1.00 4.21 N ATOM 1003 CA ASP A 66 -12.355 -10.103 -11.876 1.00 53.12 C ATOM 1004 C ASP A 66 -12.891 -8.956 -11.025 1.00 55.11 C ATOM 1005 O ASP A 66 -12.980 -9.065 -9.802 1.00 35.04 O ATOM 1006 CB ASP A 66 -13.484 -11.079 -12.209 1.00 11.22 C ATOM 1007 CG ASP A 66 -13.445 -11.539 -13.652 1.00 72.33 C ATOM 1008 OD1 ASP A 66 -13.552 -10.680 -14.552 1.00 53.42 O ATOM 1009 OD2 ASP A 66 -13.308 -12.759 -13.883 1.00 62.25 O ATOM 0 H ASP A 66 -11.095 -10.467 -10.239 1.00 4.21 H new ATOM 0 HA ASP A 66 -11.958 -9.689 -12.803 1.00 53.12 H new ATOM 0 HB2 ASP A 66 -13.416 -11.946 -11.552 1.00 11.22 H new ATOM 0 HB3 ASP A 66 -14.443 -10.602 -12.009 1.00 11.22 H new ATOM 1014 N CYS A 67 -13.248 -7.856 -11.681 1.00 30.14 N ATOM 1015 CA CYS A 67 -13.773 -6.688 -10.985 1.00 53.22 C ATOM 1016 C CYS A 67 -15.121 -7.000 -10.340 1.00 24.12 C ATOM 1017 O CYS A 67 -15.524 -6.350 -9.375 1.00 63.12 O ATOM 1018 CB CYS A 67 -13.921 -5.515 -11.956 1.00 5.33 C ATOM 1019 SG CYS A 67 -12.498 -4.376 -11.968 1.00 53.21 S ATOM 0 H CYS A 67 -13.183 -7.750 -12.693 1.00 30.14 H new ATOM 0 HA CYS A 67 -13.068 -6.416 -10.200 1.00 53.22 H new ATOM 0 HB2 CYS A 67 -14.068 -5.907 -12.963 1.00 5.33 H new ATOM 0 HB3 CYS A 67 -14.819 -4.954 -11.698 1.00 5.33 H new ATOM 0 HG CYS A 67 -12.347 -3.858 -10.785 1.00 53.21 H new ATOM 1024 N SER A 68 -15.812 -7.999 -10.879 1.00 11.13 N ATOM 1025 CA SER A 68 -17.115 -8.396 -10.359 1.00 1.42 C ATOM 1026 C SER A 68 -16.976 -9.050 -8.988 1.00 33.24 C ATOM 1027 O SER A 68 -17.877 -8.967 -8.152 1.00 71.32 O ATOM 1028 CB SER A 68 -17.804 -9.358 -11.328 1.00 31.51 C ATOM 1029 OG SER A 68 -18.864 -8.717 -12.017 1.00 21.15 O ATOM 0 H SER A 68 -15.491 -8.549 -11.676 1.00 11.13 H new ATOM 0 HA SER A 68 -17.725 -7.499 -10.255 1.00 1.42 H new ATOM 0 HB2 SER A 68 -17.077 -9.738 -12.046 1.00 31.51 H new ATOM 0 HB3 SER A 68 -18.190 -10.217 -10.779 1.00 31.51 H new ATOM 0 HG SER A 68 -19.287 -9.353 -12.631 1.00 21.15 H new ATOM 1035 N LYS A 69 -15.840 -9.702 -8.762 1.00 4.42 N ATOM 1036 CA LYS A 69 -15.579 -10.370 -7.493 1.00 44.53 C ATOM 1037 C LYS A 69 -15.323 -9.354 -6.386 1.00 11.25 C ATOM 1038 O LYS A 69 -14.698 -8.318 -6.613 1.00 14.24 O ATOM 1039 CB LYS A 69 -14.379 -11.310 -7.625 1.00 2.13 C ATOM 1040 CG LYS A 69 -14.406 -12.158 -8.885 1.00 21.22 C ATOM 1041 CD LYS A 69 -15.683 -12.976 -8.979 1.00 32.05 C ATOM 1042 CE LYS A 69 -16.523 -12.561 -10.176 1.00 3.50 C ATOM 1043 NZ LYS A 69 -17.405 -13.666 -10.644 1.00 43.15 N ATOM 0 H LYS A 69 -15.085 -9.782 -9.443 1.00 4.42 H new ATOM 0 HA LYS A 69 -16.462 -10.953 -7.230 1.00 44.53 H new ATOM 0 HB2 LYS A 69 -13.463 -10.720 -7.614 1.00 2.13 H new ATOM 0 HB3 LYS A 69 -14.345 -11.967 -6.756 1.00 2.13 H new ATOM 0 HG2 LYS A 69 -14.320 -11.514 -9.760 1.00 21.22 H new ATOM 0 HG3 LYS A 69 -13.544 -12.825 -8.894 1.00 21.22 H new ATOM 0 HD2 LYS A 69 -15.434 -14.034 -9.057 1.00 32.05 H new ATOM 0 HD3 LYS A 69 -16.264 -12.852 -8.065 1.00 32.05 H new ATOM 0 HE2 LYS A 69 -17.133 -11.697 -9.910 1.00 3.50 H new ATOM 0 HE3 LYS A 69 -15.868 -12.250 -10.989 1.00 3.50 H new ATOM 0 HZ1 LYS A 69 -17.961 -13.344 -11.461 1.00 43.15 H new ATOM 0 HZ2 LYS A 69 -16.822 -14.481 -10.922 1.00 43.15 H new ATOM 0 HZ3 LYS A 69 -18.048 -13.946 -9.876 1.00 43.15 H new ATOM 1057 N SER A 70 -15.809 -9.658 -5.186 1.00 23.25 N ATOM 1058 CA SER A 70 -15.634 -8.769 -4.043 1.00 24.22 C ATOM 1059 C SER A 70 -14.166 -8.692 -3.634 1.00 44.40 C ATOM 1060 O SER A 70 -13.298 -9.265 -4.291 1.00 20.12 O ATOM 1061 CB SER A 70 -16.479 -9.250 -2.862 1.00 41.12 C ATOM 1062 OG SER A 70 -17.863 -9.166 -3.158 1.00 32.05 O ATOM 0 H SER A 70 -16.327 -10.513 -4.980 1.00 23.25 H new ATOM 0 HA SER A 70 -15.965 -7.772 -4.336 1.00 24.22 H new ATOM 0 HB2 SER A 70 -16.218 -10.280 -2.619 1.00 41.12 H new ATOM 0 HB3 SER A 70 -16.255 -8.648 -1.981 1.00 41.12 H new ATOM 0 HG SER A 70 -18.382 -9.481 -2.388 1.00 32.05 H new ATOM 1068 N GLN A 71 -13.899 -7.979 -2.545 1.00 24.13 N ATOM 1069 CA GLN A 71 -12.536 -7.826 -2.048 1.00 3.53 C ATOM 1070 C GLN A 71 -12.059 -9.102 -1.364 1.00 51.21 C ATOM 1071 O GLN A 71 -12.862 -9.969 -1.020 1.00 32.10 O ATOM 1072 CB GLN A 71 -12.455 -6.649 -1.074 1.00 30.12 C ATOM 1073 CG GLN A 71 -11.033 -6.190 -0.790 1.00 53.43 C ATOM 1074 CD GLN A 71 -10.972 -4.768 -0.271 1.00 11.31 C ATOM 1075 OE1 GLN A 71 -11.991 -4.082 -0.182 1.00 10.40 O ATOM 1076 NE2 GLN A 71 -9.773 -4.314 0.076 1.00 52.45 N ATOM 0 H GLN A 71 -14.607 -7.498 -1.990 1.00 24.13 H new ATOM 0 HA GLN A 71 -11.886 -7.628 -2.900 1.00 3.53 H new ATOM 0 HB2 GLN A 71 -13.024 -5.812 -1.480 1.00 30.12 H new ATOM 0 HB3 GLN A 71 -12.931 -6.932 -0.135 1.00 30.12 H new ATOM 0 HG2 GLN A 71 -10.578 -6.859 -0.060 1.00 53.43 H new ATOM 0 HG3 GLN A 71 -10.442 -6.265 -1.703 1.00 53.43 H new ATOM 0 HE21 GLN A 71 -8.954 -4.916 -0.014 1.00 52.45 H new ATOM 0 HE22 GLN A 71 -9.671 -3.364 0.432 1.00 52.45 H new ATOM 1085 N GLU A 72 -10.748 -9.210 -1.170 1.00 45.53 N ATOM 1086 CA GLU A 72 -10.166 -10.382 -0.528 1.00 72.12 C ATOM 1087 C GLU A 72 -10.084 -10.190 0.984 1.00 0.40 C ATOM 1088 O GLU A 72 -10.347 -11.115 1.752 1.00 31.32 O ATOM 1089 CB GLU A 72 -8.771 -10.661 -1.093 1.00 4.24 C ATOM 1090 CG GLU A 72 -8.708 -10.606 -2.610 1.00 22.42 C ATOM 1091 CD GLU A 72 -7.908 -11.751 -3.201 1.00 72.31 C ATOM 1092 OE1 GLU A 72 -8.071 -12.895 -2.730 1.00 33.12 O ATOM 1093 OE2 GLU A 72 -7.119 -11.502 -4.137 1.00 0.51 O ATOM 0 H GLU A 72 -10.070 -8.501 -1.448 1.00 45.53 H new ATOM 0 HA GLU A 72 -10.812 -11.235 -0.735 1.00 72.12 H new ATOM 0 HB2 GLU A 72 -8.070 -9.935 -0.682 1.00 4.24 H new ATOM 0 HB3 GLU A 72 -8.443 -11.645 -0.759 1.00 4.24 H new ATOM 0 HG2 GLU A 72 -9.720 -10.628 -3.013 1.00 22.42 H new ATOM 0 HG3 GLU A 72 -8.263 -9.660 -2.918 1.00 22.42 H new ATOM 1100 N MET A 73 -9.719 -8.982 1.403 1.00 41.33 N ATOM 1101 CA MET A 73 -9.605 -8.668 2.822 1.00 60.15 C ATOM 1102 C MET A 73 -10.216 -7.305 3.128 1.00 13.12 C ATOM 1103 O MET A 73 -10.493 -6.520 2.222 1.00 43.02 O ATOM 1104 CB MET A 73 -8.137 -8.691 3.254 1.00 74.14 C ATOM 1105 CG MET A 73 -7.559 -10.092 3.368 1.00 74.05 C ATOM 1106 SD MET A 73 -6.374 -10.248 4.717 1.00 25.42 S ATOM 1107 CE MET A 73 -5.444 -8.728 4.527 1.00 53.25 C ATOM 0 H MET A 73 -9.497 -8.205 0.780 1.00 41.33 H new ATOM 0 HA MET A 73 -10.153 -9.426 3.382 1.00 60.15 H new ATOM 0 HB2 MET A 73 -7.547 -8.121 2.537 1.00 74.14 H new ATOM 0 HB3 MET A 73 -8.042 -8.188 4.216 1.00 74.14 H new ATOM 0 HG2 MET A 73 -8.370 -10.804 3.518 1.00 74.05 H new ATOM 0 HG3 MET A 73 -7.072 -10.357 2.430 1.00 74.05 H new ATOM 0 HE1 MET A 73 -4.380 -8.935 4.646 1.00 53.25 H new ATOM 0 HE2 MET A 73 -5.624 -8.313 3.535 1.00 53.25 H new ATOM 0 HE3 MET A 73 -5.761 -8.010 5.284 1.00 53.25 H new ATOM 1117 N SER A 74 -10.424 -7.030 4.412 1.00 25.34 N ATOM 1118 CA SER A 74 -11.005 -5.761 4.837 1.00 52.33 C ATOM 1119 C SER A 74 -9.943 -4.669 4.897 1.00 13.23 C ATOM 1120 O SER A 74 -8.766 -4.944 5.129 1.00 71.45 O ATOM 1121 CB SER A 74 -11.673 -5.916 6.205 1.00 2.24 C ATOM 1122 OG SER A 74 -12.784 -6.793 6.135 1.00 31.24 O ATOM 0 H SER A 74 -10.199 -7.668 5.175 1.00 25.34 H new ATOM 0 HA SER A 74 -11.757 -5.470 4.104 1.00 52.33 H new ATOM 0 HB2 SER A 74 -10.949 -6.298 6.925 1.00 2.24 H new ATOM 0 HB3 SER A 74 -11.998 -4.941 6.567 1.00 2.24 H new ATOM 0 HG SER A 74 -13.192 -6.876 7.022 1.00 31.24 H new ATOM 1128 N ASN A 75 -10.367 -3.426 4.688 1.00 74.05 N ATOM 1129 CA ASN A 75 -9.453 -2.291 4.717 1.00 22.21 C ATOM 1130 C ASN A 75 -8.611 -2.303 5.990 1.00 44.23 C ATOM 1131 O ASN A 75 -7.412 -2.031 5.955 1.00 3.32 O ATOM 1132 CB ASN A 75 -10.234 -0.979 4.620 1.00 31.55 C ATOM 1133 CG ASN A 75 -9.899 -0.198 3.365 1.00 64.43 C ATOM 1134 OD1 ASN A 75 -9.647 1.006 3.417 1.00 72.20 O ATOM 1135 ND2 ASN A 75 -9.894 -0.882 2.227 1.00 42.25 N ATOM 0 H ASN A 75 -11.338 -3.180 4.497 1.00 74.05 H new ATOM 0 HA ASN A 75 -8.784 -2.372 3.860 1.00 22.21 H new ATOM 0 HB2 ASN A 75 -11.303 -1.193 4.637 1.00 31.55 H new ATOM 0 HB3 ASN A 75 -10.018 -0.366 5.495 1.00 31.55 H new ATOM 0 HD21 ASN A 75 -9.675 -0.410 1.349 1.00 42.25 H new ATOM 0 HD22 ASN A 75 -10.109 -1.879 2.230 1.00 42.25 H new ATOM 1142 N GLU A 76 -9.250 -2.621 7.112 1.00 70.02 N ATOM 1143 CA GLU A 76 -8.560 -2.669 8.395 1.00 31.14 C ATOM 1144 C GLU A 76 -7.428 -3.692 8.367 1.00 4.01 C ATOM 1145 O GLU A 76 -6.307 -3.404 8.788 1.00 44.14 O ATOM 1146 CB GLU A 76 -9.543 -3.011 9.516 1.00 4.43 C ATOM 1147 CG GLU A 76 -10.345 -4.276 9.258 1.00 23.23 C ATOM 1148 CD GLU A 76 -9.749 -5.493 9.939 1.00 50.13 C ATOM 1149 OE1 GLU A 76 -8.602 -5.398 10.423 1.00 15.21 O ATOM 1150 OE2 GLU A 76 -10.430 -6.539 9.987 1.00 23.15 O ATOM 0 H GLU A 76 -10.243 -2.849 7.158 1.00 70.02 H new ATOM 0 HA GLU A 76 -8.132 -1.685 8.585 1.00 31.14 H new ATOM 0 HB2 GLU A 76 -8.991 -3.125 10.449 1.00 4.43 H new ATOM 0 HB3 GLU A 76 -10.231 -2.176 9.652 1.00 4.43 H new ATOM 0 HG2 GLU A 76 -11.367 -4.132 9.609 1.00 23.23 H new ATOM 0 HG3 GLU A 76 -10.399 -4.455 8.184 1.00 23.23 H new ATOM 1157 N GLU A 77 -7.731 -4.887 7.870 1.00 24.40 N ATOM 1158 CA GLU A 77 -6.739 -5.953 7.788 1.00 0.34 C ATOM 1159 C GLU A 77 -5.569 -5.541 6.900 1.00 50.02 C ATOM 1160 O GLU A 77 -4.408 -5.783 7.232 1.00 52.22 O ATOM 1161 CB GLU A 77 -7.379 -7.234 7.248 1.00 33.55 C ATOM 1162 CG GLU A 77 -8.517 -7.755 8.109 1.00 64.25 C ATOM 1163 CD GLU A 77 -8.596 -9.270 8.116 1.00 45.12 C ATOM 1164 OE1 GLU A 77 -7.683 -9.909 8.679 1.00 53.45 O ATOM 1165 OE2 GLU A 77 -9.573 -9.816 7.559 1.00 24.34 O ATOM 0 H GLU A 77 -8.654 -5.141 7.518 1.00 24.40 H new ATOM 0 HA GLU A 77 -6.360 -6.140 8.793 1.00 0.34 H new ATOM 0 HB2 GLU A 77 -7.752 -7.047 6.241 1.00 33.55 H new ATOM 0 HB3 GLU A 77 -6.614 -8.006 7.166 1.00 33.55 H new ATOM 0 HG2 GLU A 77 -8.389 -7.397 9.130 1.00 64.25 H new ATOM 0 HG3 GLU A 77 -9.460 -7.347 7.744 1.00 64.25 H new ATOM 1172 N ILE A 78 -5.883 -4.919 5.769 1.00 53.24 N ATOM 1173 CA ILE A 78 -4.859 -4.473 4.833 1.00 64.42 C ATOM 1174 C ILE A 78 -4.014 -3.356 5.434 1.00 20.43 C ATOM 1175 O ILE A 78 -2.786 -3.380 5.350 1.00 10.55 O ATOM 1176 CB ILE A 78 -5.480 -3.978 3.512 1.00 74.41 C ATOM 1177 CG1 ILE A 78 -6.398 -5.051 2.922 1.00 24.10 C ATOM 1178 CG2 ILE A 78 -4.388 -3.604 2.521 1.00 22.13 C ATOM 1179 CD1 ILE A 78 -7.279 -4.541 1.802 1.00 74.43 C ATOM 0 H ILE A 78 -6.839 -4.712 5.479 1.00 53.24 H new ATOM 0 HA ILE A 78 -4.224 -5.335 4.626 1.00 64.42 H new ATOM 0 HB ILE A 78 -6.076 -3.089 3.718 1.00 74.41 H new ATOM 0 HG12 ILE A 78 -5.789 -5.874 2.549 1.00 24.10 H new ATOM 0 HG13 ILE A 78 -7.028 -5.455 3.714 1.00 24.10 H new ATOM 0 HG21 ILE A 78 -4.842 -3.256 1.593 1.00 22.13 H new ATOM 0 HG22 ILE A 78 -3.771 -2.811 2.942 1.00 22.13 H new ATOM 0 HG23 ILE A 78 -3.768 -4.477 2.317 1.00 22.13 H new ATOM 0 HD11 ILE A 78 -7.903 -5.354 1.431 1.00 74.43 H new ATOM 0 HD12 ILE A 78 -7.914 -3.738 2.176 1.00 74.43 H new ATOM 0 HD13 ILE A 78 -6.655 -4.163 0.992 1.00 74.43 H new ATOM 1191 N ASN A 79 -4.679 -2.379 6.041 1.00 15.24 N ATOM 1192 CA ASN A 79 -3.988 -1.253 6.659 1.00 72.13 C ATOM 1193 C ASN A 79 -3.017 -1.733 7.734 1.00 70.15 C ATOM 1194 O ASN A 79 -1.892 -1.244 7.831 1.00 52.42 O ATOM 1195 CB ASN A 79 -4.999 -0.279 7.267 1.00 51.05 C ATOM 1196 CG ASN A 79 -4.797 -0.090 8.758 1.00 75.42 C ATOM 1197 OD1 ASN A 79 -3.969 0.714 9.186 1.00 52.40 O ATOM 1198 ND2 ASN A 79 -5.551 -0.836 9.556 1.00 53.33 N ATOM 0 H ASN A 79 -5.695 -2.344 6.118 1.00 15.24 H new ATOM 0 HA ASN A 79 -3.419 -0.739 5.884 1.00 72.13 H new ATOM 0 HB2 ASN A 79 -4.915 0.686 6.767 1.00 51.05 H new ATOM 0 HB3 ASN A 79 -6.009 -0.647 7.084 1.00 51.05 H new ATOM 0 HD21 ASN A 79 -5.457 -0.756 10.568 1.00 53.33 H new ATOM 0 HD22 ASN A 79 -6.225 -1.490 9.157 1.00 53.33 H new ATOM 1205 N GLU A 80 -3.462 -2.693 8.539 1.00 61.44 N ATOM 1206 CA GLU A 80 -2.632 -3.239 9.607 1.00 61.02 C ATOM 1207 C GLU A 80 -1.576 -4.187 9.045 1.00 43.32 C ATOM 1208 O GLU A 80 -0.497 -4.338 9.616 1.00 12.14 O ATOM 1209 CB GLU A 80 -3.499 -3.974 10.631 1.00 2.41 C ATOM 1210 CG GLU A 80 -4.087 -5.275 10.111 1.00 23.31 C ATOM 1211 CD GLU A 80 -4.761 -6.088 11.199 1.00 5.44 C ATOM 1212 OE1 GLU A 80 -5.949 -5.829 11.482 1.00 74.03 O ATOM 1213 OE2 GLU A 80 -4.100 -6.981 11.767 1.00 10.04 O ATOM 0 H GLU A 80 -4.391 -3.108 8.472 1.00 61.44 H new ATOM 0 HA GLU A 80 -2.125 -2.409 10.099 1.00 61.02 H new ATOM 0 HB2 GLU A 80 -2.900 -4.185 11.517 1.00 2.41 H new ATOM 0 HB3 GLU A 80 -4.311 -3.318 10.944 1.00 2.41 H new ATOM 0 HG2 GLU A 80 -4.811 -5.054 9.327 1.00 23.31 H new ATOM 0 HG3 GLU A 80 -3.296 -5.870 9.656 1.00 23.31 H new ATOM 1220 N GLU A 81 -1.897 -4.822 7.922 1.00 62.54 N ATOM 1221 CA GLU A 81 -0.976 -5.756 7.284 1.00 11.45 C ATOM 1222 C GLU A 81 0.273 -5.034 6.786 1.00 35.42 C ATOM 1223 O GLU A 81 1.398 -5.427 7.103 1.00 44.44 O ATOM 1224 CB GLU A 81 -1.665 -6.469 6.118 1.00 0.13 C ATOM 1225 CG GLU A 81 -0.780 -7.488 5.420 1.00 33.05 C ATOM 1226 CD GLU A 81 -0.219 -8.525 6.374 1.00 31.32 C ATOM 1227 OE1 GLU A 81 -0.987 -9.409 6.808 1.00 74.40 O ATOM 1228 OE2 GLU A 81 0.988 -8.451 6.687 1.00 62.43 O ATOM 0 H GLU A 81 -2.786 -4.707 7.436 1.00 62.54 H new ATOM 0 HA GLU A 81 -0.676 -6.495 8.027 1.00 11.45 H new ATOM 0 HB2 GLU A 81 -2.560 -6.970 6.487 1.00 0.13 H new ATOM 0 HB3 GLU A 81 -1.992 -5.726 5.391 1.00 0.13 H new ATOM 0 HG2 GLU A 81 -1.354 -7.990 4.641 1.00 33.05 H new ATOM 0 HG3 GLU A 81 0.043 -6.971 4.926 1.00 33.05 H new ATOM 1235 N LEU A 82 0.068 -3.979 6.006 1.00 32.35 N ATOM 1236 CA LEU A 82 1.177 -3.201 5.464 1.00 35.31 C ATOM 1237 C LEU A 82 1.710 -2.217 6.500 1.00 72.41 C ATOM 1238 O LEU A 82 2.890 -1.868 6.491 1.00 41.03 O ATOM 1239 CB LEU A 82 0.732 -2.448 4.210 1.00 24.10 C ATOM 1240 CG LEU A 82 0.153 -3.304 3.083 1.00 73.11 C ATOM 1241 CD1 LEU A 82 -1.303 -2.943 2.833 1.00 13.31 C ATOM 1242 CD2 LEU A 82 0.972 -3.137 1.811 1.00 54.34 C ATOM 0 H LEU A 82 -0.856 -3.642 5.734 1.00 32.35 H new ATOM 0 HA LEU A 82 1.978 -3.891 5.201 1.00 35.31 H new ATOM 0 HB2 LEU A 82 -0.016 -1.710 4.500 1.00 24.10 H new ATOM 0 HB3 LEU A 82 1.587 -1.898 3.818 1.00 24.10 H new ATOM 0 HG LEU A 82 0.200 -4.350 3.386 1.00 73.11 H new ATOM 0 HD11 LEU A 82 -1.698 -3.562 2.028 1.00 13.31 H new ATOM 0 HD12 LEU A 82 -1.882 -3.115 3.741 1.00 13.31 H new ATOM 0 HD13 LEU A 82 -1.374 -1.892 2.551 1.00 13.31 H new ATOM 0 HD21 LEU A 82 0.545 -3.754 1.020 1.00 54.34 H new ATOM 0 HD22 LEU A 82 0.958 -2.091 1.504 1.00 54.34 H new ATOM 0 HD23 LEU A 82 2.000 -3.446 1.997 1.00 54.34 H new ATOM 1254 N GLY A 83 0.832 -1.774 7.395 1.00 70.13 N ATOM 1255 CA GLY A 83 1.233 -0.836 8.427 1.00 31.22 C ATOM 1256 C GLY A 83 1.047 0.608 8.002 1.00 13.03 C ATOM 1257 O GLY A 83 1.808 1.485 8.411 1.00 74.12 O ATOM 0 H GLY A 83 -0.150 -2.048 7.424 1.00 70.13 H new ATOM 0 HA2 GLY A 83 0.652 -1.024 9.330 1.00 31.22 H new ATOM 0 HA3 GLY A 83 2.280 -1.005 8.681 1.00 31.22 H new ATOM 1261 N ILE A 84 0.034 0.855 7.179 1.00 53.43 N ATOM 1262 CA ILE A 84 -0.249 2.201 6.698 1.00 15.51 C ATOM 1263 C ILE A 84 -1.461 2.795 7.409 1.00 31.00 C ATOM 1264 O ILE A 84 -2.014 2.190 8.327 1.00 22.15 O ATOM 1265 CB ILE A 84 -0.501 2.216 5.179 1.00 15.20 C ATOM 1266 CG1 ILE A 84 -1.733 1.375 4.837 1.00 25.40 C ATOM 1267 CG2 ILE A 84 0.722 1.702 4.436 1.00 64.13 C ATOM 1268 CD1 ILE A 84 -2.141 1.468 3.383 1.00 13.40 C ATOM 0 H ILE A 84 -0.605 0.140 6.831 1.00 53.43 H new ATOM 0 HA ILE A 84 0.631 2.805 6.917 1.00 15.51 H new ATOM 0 HB ILE A 84 -0.688 3.243 4.865 1.00 15.20 H new ATOM 0 HG12 ILE A 84 -1.532 0.333 5.084 1.00 25.40 H new ATOM 0 HG13 ILE A 84 -2.567 1.695 5.462 1.00 25.40 H new ATOM 0 HG21 ILE A 84 0.529 1.718 3.363 1.00 64.13 H new ATOM 0 HG22 ILE A 84 1.578 2.338 4.661 1.00 64.13 H new ATOM 0 HG23 ILE A 84 0.936 0.681 4.751 1.00 64.13 H new ATOM 0 HD11 ILE A 84 -3.021 0.847 3.211 1.00 13.40 H new ATOM 0 HD12 ILE A 84 -2.374 2.504 3.136 1.00 13.40 H new ATOM 0 HD13 ILE A 84 -1.323 1.120 2.753 1.00 13.40 H new ATOM 1280 N GLY A 85 -1.870 3.984 6.976 1.00 11.13 N ATOM 1281 CA GLY A 85 -3.015 4.639 7.581 1.00 5.13 C ATOM 1282 C GLY A 85 -4.147 4.853 6.596 1.00 3.24 C ATOM 1283 O GLY A 85 -4.334 5.958 6.086 1.00 10.32 O ATOM 0 H GLY A 85 -1.429 4.505 6.218 1.00 11.13 H new ATOM 0 HA2 GLY A 85 -3.373 4.039 8.417 1.00 5.13 H new ATOM 0 HA3 GLY A 85 -2.706 5.601 7.989 1.00 5.13 H new ATOM 1287 N GLN A 86 -4.903 3.794 6.326 1.00 33.22 N ATOM 1288 CA GLN A 86 -6.021 3.871 5.393 1.00 32.12 C ATOM 1289 C GLN A 86 -7.171 4.679 5.987 1.00 3.15 C ATOM 1290 O GLN A 86 -7.508 4.526 7.161 1.00 51.21 O ATOM 1291 CB GLN A 86 -6.505 2.467 5.027 1.00 42.42 C ATOM 1292 CG GLN A 86 -5.888 1.925 3.748 1.00 25.53 C ATOM 1293 CD GLN A 86 -6.016 0.420 3.630 1.00 52.44 C ATOM 1294 OE1 GLN A 86 -6.931 -0.183 4.192 1.00 61.03 O ATOM 1295 NE2 GLN A 86 -5.098 -0.198 2.896 1.00 31.22 N ATOM 0 H GLN A 86 -4.762 2.873 6.740 1.00 33.22 H new ATOM 0 HA GLN A 86 -5.674 4.375 4.491 1.00 32.12 H new ATOM 0 HB2 GLN A 86 -6.276 1.787 5.848 1.00 42.42 H new ATOM 0 HB3 GLN A 86 -7.590 2.482 4.919 1.00 42.42 H new ATOM 0 HG2 GLN A 86 -6.369 2.395 2.890 1.00 25.53 H new ATOM 0 HG3 GLN A 86 -4.834 2.200 3.713 1.00 25.53 H new ATOM 0 HE21 GLN A 86 -4.357 0.340 2.447 1.00 31.22 H new ATOM 0 HE22 GLN A 86 -5.134 -1.211 2.781 1.00 31.22 H new