USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=14 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 142:sc= -0.285 USER MOD Set 1.2: A 34 CYS SG : rot -60:sc= 1.13 USER MOD Set 1.3: A 56 CYS SG : rot 116:sc= 0.024 USER MOD Set 1.4: A 57 MET CE :methyl 156:sc= -1.92 (180deg=-1.97!) USER MOD Set 1.5: A 67 CYS SG : rot -67:sc= 0.302 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -137:sc= 0.231 (180deg=-0.366) 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= -2.49! K(o=-2.5!,f=-0.84) USER MOD Single : A 59 ASN : amide:sc= -0.698 K(o=-0.7,f=-4!) 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= 0.058 USER MOD Single : A 71 GLN : amide:sc= -2.15 X(o=-2.2,f=-1.8!) USER MOD Single : A 73 MET CE :methyl -140:sc= -3.89 (180deg=-6!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.052) USER MOD Single : A 79 ASN : amide:sc= -0.749 K(o=-0.75,f=0.13) USER MOD Single : A 86 GLN : amide:sc= -2.79 K(o=-2.8,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 366 N SER A 26 4.691 -12.012 -0.501 1.00 34.31 N ATOM 367 CA SER A 26 3.463 -11.566 -1.148 1.00 41.21 C ATOM 368 C SER A 26 3.384 -10.043 -1.175 1.00 71.12 C ATOM 369 O SER A 26 3.686 -9.377 -0.185 1.00 75.52 O ATOM 370 CB SER A 26 2.243 -12.138 -0.423 1.00 32.32 C ATOM 371 OG SER A 26 2.086 -13.519 -0.701 1.00 43.53 O ATOM 0 HA SER A 26 3.471 -11.930 -2.175 1.00 41.21 H new ATOM 0 HB2 SER A 26 2.352 -11.990 0.651 1.00 32.32 H new ATOM 0 HB3 SER A 26 1.347 -11.598 -0.730 1.00 32.32 H new ATOM 0 HG SER A 26 1.301 -13.861 -0.225 1.00 43.53 H new ATOM 377 N ALA A 27 2.975 -9.497 -2.317 1.00 54.24 N ATOM 378 CA ALA A 27 2.855 -8.054 -2.473 1.00 64.22 C ATOM 379 C ALA A 27 1.394 -7.635 -2.598 1.00 52.51 C ATOM 380 O ALA A 27 0.532 -8.448 -2.932 1.00 52.44 O ATOM 381 CB ALA A 27 3.644 -7.587 -3.687 1.00 72.43 C ATOM 0 H ALA A 27 2.722 -10.034 -3.147 1.00 54.24 H new ATOM 0 HA ALA A 27 3.267 -7.582 -1.581 1.00 64.22 H new ATOM 0 HB1 ALA A 27 3.545 -6.507 -3.791 1.00 72.43 H new ATOM 0 HB2 ALA A 27 4.695 -7.845 -3.559 1.00 72.43 H new ATOM 0 HB3 ALA A 27 3.257 -8.075 -4.582 1.00 72.43 H new ATOM 387 N TRP A 28 1.122 -6.364 -2.325 1.00 34.43 N ATOM 388 CA TRP A 28 -0.236 -5.839 -2.406 1.00 11.24 C ATOM 389 C TRP A 28 -0.444 -5.064 -3.702 1.00 72.34 C ATOM 390 O TRP A 28 0.390 -4.244 -4.088 1.00 45.44 O ATOM 391 CB TRP A 28 -0.527 -4.934 -1.206 1.00 53.23 C ATOM 392 CG TRP A 28 -0.985 -5.687 0.007 1.00 32.53 C ATOM 393 CD1 TRP A 28 -0.295 -5.857 1.174 1.00 50.54 C ATOM 394 CD2 TRP A 28 -2.232 -6.372 0.171 1.00 30.45 C ATOM 395 NE1 TRP A 28 -1.039 -6.607 2.053 1.00 34.22 N ATOM 396 CE2 TRP A 28 -2.230 -6.933 1.463 1.00 44.02 C ATOM 397 CE3 TRP A 28 -3.349 -6.562 -0.646 1.00 51.11 C ATOM 398 CZ2 TRP A 28 -3.304 -7.673 1.953 1.00 53.24 C ATOM 399 CZ3 TRP A 28 -4.413 -7.297 -0.158 1.00 33.42 C ATOM 400 CH2 TRP A 28 -4.384 -7.844 1.131 1.00 50.32 C ATOM 0 H TRP A 28 1.824 -5.678 -2.046 1.00 34.43 H new ATOM 0 HA TRP A 28 -0.926 -6.683 -2.394 1.00 11.24 H new ATOM 0 HB2 TRP A 28 0.373 -4.371 -0.958 1.00 53.23 H new ATOM 0 HB3 TRP A 28 -1.291 -4.208 -1.484 1.00 53.23 H new ATOM 0 HD1 TRP A 28 0.689 -5.461 1.376 1.00 50.54 H new ATOM 0 HE1 TRP A 28 -0.750 -6.877 2.993 1.00 34.22 H new ATOM 0 HE3 TRP A 28 -3.381 -6.142 -1.641 1.00 51.11 H new ATOM 0 HZ2 TRP A 28 -3.285 -8.096 2.946 1.00 53.24 H new ATOM 0 HZ3 TRP A 28 -5.281 -7.452 -0.781 1.00 33.42 H new ATOM 0 HH2 TRP A 28 -5.232 -8.413 1.483 1.00 50.32 H new ATOM 411 N VAL A 29 -1.560 -5.332 -4.373 1.00 63.11 N ATOM 412 CA VAL A 29 -1.878 -4.659 -5.627 1.00 22.43 C ATOM 413 C VAL A 29 -3.288 -4.079 -5.598 1.00 33.03 C ATOM 414 O VAL A 29 -4.238 -4.752 -5.201 1.00 11.41 O ATOM 415 CB VAL A 29 -1.754 -5.618 -6.826 1.00 52.43 C ATOM 416 CG1 VAL A 29 -0.292 -5.884 -7.148 1.00 72.21 C ATOM 417 CG2 VAL A 29 -2.492 -6.919 -6.545 1.00 73.45 C ATOM 0 H VAL A 29 -2.259 -6.010 -4.069 1.00 63.11 H new ATOM 0 HA VAL A 29 -1.158 -3.849 -5.743 1.00 22.43 H new ATOM 0 HB VAL A 29 -2.212 -5.147 -7.695 1.00 52.43 H new ATOM 0 HG11 VAL A 29 -0.224 -6.563 -7.998 1.00 72.21 H new ATOM 0 HG12 VAL A 29 0.203 -4.945 -7.394 1.00 72.21 H new ATOM 0 HG13 VAL A 29 0.195 -6.335 -6.283 1.00 72.21 H new ATOM 0 HG21 VAL A 29 -2.394 -7.585 -7.402 1.00 73.45 H new ATOM 0 HG22 VAL A 29 -2.064 -7.397 -5.664 1.00 73.45 H new ATOM 0 HG23 VAL A 29 -3.547 -6.708 -6.368 1.00 73.45 H new ATOM 427 N ARG A 30 -3.415 -2.826 -6.022 1.00 21.02 N ATOM 428 CA ARG A 30 -4.709 -2.154 -6.044 1.00 55.13 C ATOM 429 C ARG A 30 -5.231 -2.027 -7.472 1.00 2.42 C ATOM 430 O ARG A 30 -4.463 -1.805 -8.408 1.00 21.22 O ATOM 431 CB ARG A 30 -4.599 -0.769 -5.404 1.00 41.32 C ATOM 432 CG ARG A 30 -5.940 -0.082 -5.206 1.00 13.15 C ATOM 433 CD ARG A 30 -5.882 1.381 -5.615 1.00 0.23 C ATOM 434 NE ARG A 30 -5.644 1.541 -7.047 1.00 53.20 N ATOM 435 CZ ARG A 30 -5.216 2.671 -7.600 1.00 14.31 C ATOM 436 NH1 ARG A 30 -4.981 3.735 -6.844 1.00 12.32 N ATOM 437 NH2 ARG A 30 -5.023 2.738 -8.911 1.00 14.21 N ATOM 0 H ARG A 30 -2.638 -2.256 -6.355 1.00 21.02 H new ATOM 0 HA ARG A 30 -5.413 -2.756 -5.470 1.00 55.13 H new ATOM 0 HB2 ARG A 30 -4.102 -0.863 -4.438 1.00 41.32 H new ATOM 0 HB3 ARG A 30 -3.966 -0.139 -6.028 1.00 41.32 H new ATOM 0 HG2 ARG A 30 -6.703 -0.595 -5.792 1.00 13.15 H new ATOM 0 HG3 ARG A 30 -6.238 -0.157 -4.160 1.00 13.15 H new ATOM 0 HD2 ARG A 30 -6.819 1.870 -5.347 1.00 0.23 H new ATOM 0 HD3 ARG A 30 -5.090 1.882 -5.058 1.00 0.23 H new ATOM 0 HE ARG A 30 -5.816 0.741 -7.656 1.00 53.20 H new ATOM 0 HH11 ARG A 30 -5.129 3.687 -5.836 1.00 12.32 H new ATOM 0 HH12 ARG A 30 -4.653 4.601 -7.271 1.00 12.32 H new ATOM 0 HH21 ARG A 30 -5.203 1.922 -9.495 1.00 14.21 H new ATOM 0 HH22 ARG A 30 -4.694 3.606 -9.334 1.00 14.21 H new ATOM 451 N CYS A 31 -6.542 -2.171 -7.631 1.00 42.02 N ATOM 452 CA CYS A 31 -7.169 -2.073 -8.944 1.00 61.14 C ATOM 453 C CYS A 31 -7.274 -0.618 -9.391 1.00 0.44 C ATOM 454 O CYS A 31 -7.669 0.253 -8.615 1.00 35.55 O ATOM 455 CB CYS A 31 -8.559 -2.711 -8.918 1.00 43.15 C ATOM 456 SG CYS A 31 -9.339 -2.864 -10.557 1.00 23.15 S ATOM 0 H CYS A 31 -7.191 -2.356 -6.867 1.00 42.02 H new ATOM 0 HA CYS A 31 -6.543 -2.609 -9.657 1.00 61.14 H new ATOM 0 HB2 CYS A 31 -8.484 -3.702 -8.470 1.00 43.15 H new ATOM 0 HB3 CYS A 31 -9.207 -2.118 -8.273 1.00 43.15 H new ATOM 0 HG CYS A 31 -9.985 -3.990 -10.627 1.00 23.15 H new ATOM 461 N ASP A 32 -6.918 -0.361 -10.644 1.00 50.05 N ATOM 462 CA ASP A 32 -6.973 0.988 -11.194 1.00 62.14 C ATOM 463 C ASP A 32 -8.285 1.218 -11.937 1.00 50.13 C ATOM 464 O ASP A 32 -8.317 1.894 -12.966 1.00 53.54 O ATOM 465 CB ASP A 32 -5.791 1.226 -12.136 1.00 11.24 C ATOM 466 CG ASP A 32 -5.347 2.675 -12.152 1.00 11.30 C ATOM 467 OD1 ASP A 32 -6.222 3.564 -12.105 1.00 65.10 O ATOM 468 OD2 ASP A 32 -4.123 2.921 -12.211 1.00 42.41 O ATOM 0 H ASP A 32 -6.588 -1.070 -11.299 1.00 50.05 H new ATOM 0 HA ASP A 32 -6.916 1.694 -10.366 1.00 62.14 H new ATOM 0 HB2 ASP A 32 -4.955 0.596 -11.832 1.00 11.24 H new ATOM 0 HB3 ASP A 32 -6.068 0.923 -13.146 1.00 11.24 H new ATOM 473 N ASP A 33 -9.365 0.652 -11.410 1.00 11.44 N ATOM 474 CA ASP A 33 -10.680 0.796 -12.023 1.00 54.32 C ATOM 475 C ASP A 33 -11.774 0.827 -10.960 1.00 51.24 C ATOM 476 O ASP A 33 -12.711 1.622 -11.040 1.00 61.13 O ATOM 477 CB ASP A 33 -10.937 -0.349 -13.004 1.00 5.11 C ATOM 478 CG ASP A 33 -12.221 -0.161 -13.788 1.00 33.30 C ATOM 479 OD1 ASP A 33 -12.302 0.809 -14.571 1.00 41.13 O ATOM 480 OD2 ASP A 33 -13.144 -0.986 -13.620 1.00 23.04 O ATOM 0 H ASP A 33 -9.356 0.089 -10.559 1.00 11.44 H new ATOM 0 HA ASP A 33 -10.699 1.741 -12.566 1.00 54.32 H new ATOM 0 HB2 ASP A 33 -10.099 -0.425 -13.697 1.00 5.11 H new ATOM 0 HB3 ASP A 33 -10.984 -1.290 -12.456 1.00 5.11 H new ATOM 485 N CYS A 34 -11.650 -0.046 -9.965 1.00 5.20 N ATOM 486 CA CYS A 34 -12.629 -0.120 -8.887 1.00 34.14 C ATOM 487 C CYS A 34 -11.973 0.157 -7.537 1.00 34.43 C ATOM 488 O CYS A 34 -12.652 0.275 -6.517 1.00 34.32 O ATOM 489 CB CYS A 34 -13.294 -1.498 -8.868 1.00 25.10 C ATOM 490 SG CYS A 34 -12.207 -2.842 -8.297 1.00 72.42 S ATOM 0 H CYS A 34 -10.881 -0.712 -9.883 1.00 5.20 H new ATOM 0 HA CYS A 34 -13.388 0.641 -9.066 1.00 34.14 H new ATOM 0 HB2 CYS A 34 -14.172 -1.457 -8.223 1.00 25.10 H new ATOM 0 HB3 CYS A 34 -13.647 -1.733 -9.872 1.00 25.10 H new ATOM 0 HG CYS A 34 -11.180 -2.936 -9.089 1.00 72.42 H new ATOM 495 N PHE A 35 -10.647 0.261 -7.539 1.00 45.35 N ATOM 496 CA PHE A 35 -9.899 0.524 -6.316 1.00 1.21 C ATOM 497 C PHE A 35 -10.117 -0.589 -5.295 1.00 73.53 C ATOM 498 O PHE A 35 -10.801 -0.402 -4.289 1.00 4.23 O ATOM 499 CB PHE A 35 -10.316 1.869 -5.716 1.00 42.23 C ATOM 500 CG PHE A 35 -9.452 3.015 -6.158 1.00 5.44 C ATOM 501 CD1 PHE A 35 -9.130 3.182 -7.495 1.00 12.31 C ATOM 502 CD2 PHE A 35 -8.962 3.925 -5.236 1.00 24.13 C ATOM 503 CE1 PHE A 35 -8.335 4.236 -7.905 1.00 10.42 C ATOM 504 CE2 PHE A 35 -8.167 4.982 -5.639 1.00 62.24 C ATOM 505 CZ PHE A 35 -7.853 5.137 -6.976 1.00 35.34 C ATOM 0 H PHE A 35 -10.069 0.167 -8.374 1.00 45.35 H new ATOM 0 HA PHE A 35 -8.839 0.559 -6.569 1.00 1.21 H new ATOM 0 HB2 PHE A 35 -11.350 2.076 -5.992 1.00 42.23 H new ATOM 0 HB3 PHE A 35 -10.284 1.798 -4.629 1.00 42.23 H new ATOM 0 HD1 PHE A 35 -9.505 2.480 -8.226 1.00 12.31 H new ATOM 0 HD2 PHE A 35 -9.204 3.808 -4.190 1.00 24.13 H new ATOM 0 HE1 PHE A 35 -8.091 4.355 -8.950 1.00 10.42 H new ATOM 0 HE2 PHE A 35 -7.792 5.685 -4.910 1.00 62.24 H new ATOM 0 HZ PHE A 35 -7.232 5.961 -7.294 1.00 35.34 H new ATOM 515 N LYS A 36 -9.529 -1.751 -5.562 1.00 52.34 N ATOM 516 CA LYS A 36 -9.656 -2.896 -4.668 1.00 65.33 C ATOM 517 C LYS A 36 -8.293 -3.518 -4.383 1.00 12.03 C ATOM 518 O LYS A 36 -7.495 -3.731 -5.296 1.00 71.01 O ATOM 519 CB LYS A 36 -10.588 -3.944 -5.279 1.00 51.25 C ATOM 520 CG LYS A 36 -10.534 -5.290 -4.576 1.00 43.35 C ATOM 521 CD LYS A 36 -9.533 -6.224 -5.236 1.00 3.44 C ATOM 522 CE LYS A 36 -9.837 -7.681 -4.920 1.00 2.14 C ATOM 523 NZ LYS A 36 -11.152 -8.105 -5.475 1.00 0.12 N ATOM 0 H LYS A 36 -8.960 -1.924 -6.391 1.00 52.34 H new ATOM 0 HA LYS A 36 -10.080 -2.545 -3.727 1.00 65.33 H new ATOM 0 HB2 LYS A 36 -11.611 -3.569 -5.250 1.00 51.25 H new ATOM 0 HB3 LYS A 36 -10.328 -4.081 -6.329 1.00 51.25 H new ATOM 0 HG2 LYS A 36 -10.263 -5.145 -3.530 1.00 43.35 H new ATOM 0 HG3 LYS A 36 -11.523 -5.748 -4.588 1.00 43.35 H new ATOM 0 HD2 LYS A 36 -9.550 -6.074 -6.315 1.00 3.44 H new ATOM 0 HD3 LYS A 36 -8.527 -5.979 -4.896 1.00 3.44 H new ATOM 0 HE2 LYS A 36 -9.049 -8.314 -5.329 1.00 2.14 H new ATOM 0 HE3 LYS A 36 -9.834 -7.827 -3.840 1.00 2.14 H new ATOM 0 HZ1 LYS A 36 -11.659 -8.676 -4.769 1.00 0.12 H new ATOM 0 HZ2 LYS A 36 -11.717 -7.264 -5.711 1.00 0.12 H new ATOM 0 HZ3 LYS A 36 -11.000 -8.672 -6.334 1.00 0.12 H new ATOM 537 N TRP A 37 -8.033 -3.807 -3.113 1.00 41.11 N ATOM 538 CA TRP A 37 -6.767 -4.406 -2.709 1.00 21.42 C ATOM 539 C TRP A 37 -6.755 -5.903 -3.000 1.00 11.15 C ATOM 540 O TRP A 37 -7.757 -6.590 -2.802 1.00 54.22 O ATOM 541 CB TRP A 37 -6.515 -4.161 -1.221 1.00 2.42 C ATOM 542 CG TRP A 37 -5.735 -2.910 -0.948 1.00 63.11 C ATOM 543 CD1 TRP A 37 -6.060 -1.917 -0.070 1.00 2.14 C ATOM 544 CD2 TRP A 37 -4.500 -2.520 -1.559 1.00 3.31 C ATOM 545 NE1 TRP A 37 -5.102 -0.932 -0.099 1.00 33.14 N ATOM 546 CE2 TRP A 37 -4.134 -1.279 -1.003 1.00 44.23 C ATOM 547 CE3 TRP A 37 -3.668 -3.100 -2.520 1.00 61.52 C ATOM 548 CZ2 TRP A 37 -2.973 -0.608 -1.379 1.00 72.24 C ATOM 549 CZ3 TRP A 37 -2.516 -2.433 -2.892 1.00 21.30 C ATOM 550 CH2 TRP A 37 -2.176 -1.199 -2.322 1.00 2.21 C ATOM 0 H TRP A 37 -8.683 -3.636 -2.345 1.00 41.11 H new ATOM 0 HA TRP A 37 -5.971 -3.936 -3.287 1.00 21.42 H new ATOM 0 HB2 TRP A 37 -7.472 -4.104 -0.702 1.00 2.42 H new ATOM 0 HB3 TRP A 37 -5.978 -5.014 -0.806 1.00 2.42 H new ATOM 0 HD1 TRP A 37 -6.940 -1.907 0.555 1.00 2.14 H new ATOM 0 HE1 TRP A 37 -5.111 -0.080 0.462 1.00 33.14 H new ATOM 0 HE3 TRP A 37 -3.920 -4.052 -2.964 1.00 61.52 H new ATOM 0 HZ2 TRP A 37 -2.711 0.344 -0.942 1.00 72.24 H new ATOM 0 HZ3 TRP A 37 -1.866 -2.871 -3.635 1.00 21.30 H new ATOM 0 HH2 TRP A 37 -1.267 -0.705 -2.633 1.00 2.21 H new ATOM 561 N ARG A 38 -5.615 -6.401 -3.468 1.00 45.33 N ATOM 562 CA ARG A 38 -5.475 -7.817 -3.786 1.00 21.41 C ATOM 563 C ARG A 38 -4.085 -8.324 -3.410 1.00 4.12 C ATOM 564 O ARG A 38 -3.074 -7.782 -3.858 1.00 53.25 O ATOM 565 CB ARG A 38 -5.729 -8.054 -5.277 1.00 51.51 C ATOM 566 CG ARG A 38 -6.609 -9.261 -5.560 1.00 0.43 C ATOM 567 CD ARG A 38 -5.794 -10.544 -5.616 1.00 73.11 C ATOM 568 NE ARG A 38 -6.636 -11.732 -5.514 1.00 51.40 N ATOM 569 CZ ARG A 38 -6.172 -12.938 -5.208 1.00 71.25 C ATOM 570 NH1 ARG A 38 -4.878 -13.114 -4.974 1.00 40.03 N ATOM 571 NH2 ARG A 38 -7.001 -13.972 -5.134 1.00 14.14 N ATOM 0 H ARG A 38 -4.776 -5.846 -3.635 1.00 45.33 H new ATOM 0 HA ARG A 38 -6.214 -8.369 -3.205 1.00 21.41 H new ATOM 0 HB2 ARG A 38 -6.196 -7.166 -5.703 1.00 51.51 H new ATOM 0 HB3 ARG A 38 -4.773 -8.185 -5.784 1.00 51.51 H new ATOM 0 HG2 ARG A 38 -7.371 -9.346 -4.786 1.00 0.43 H new ATOM 0 HG3 ARG A 38 -7.131 -9.118 -6.506 1.00 0.43 H new ATOM 0 HD2 ARG A 38 -5.233 -10.577 -6.550 1.00 73.11 H new ATOM 0 HD3 ARG A 38 -5.065 -10.546 -4.806 1.00 73.11 H new ATOM 0 HE ARG A 38 -7.636 -11.630 -5.687 1.00 51.40 H new ATOM 0 HH11 ARG A 38 -4.237 -12.322 -5.029 1.00 40.03 H new ATOM 0 HH12 ARG A 38 -4.524 -14.041 -4.739 1.00 40.03 H new ATOM 0 HH21 ARG A 38 -7.997 -13.841 -5.312 1.00 14.14 H new ATOM 0 HH22 ARG A 38 -6.642 -14.897 -4.899 1.00 14.14 H new ATOM 585 N ARG A 39 -4.045 -9.364 -2.583 1.00 23.24 N ATOM 586 CA ARG A 39 -2.780 -9.941 -2.144 1.00 51.12 C ATOM 587 C ARG A 39 -2.293 -10.996 -3.133 1.00 22.22 C ATOM 588 O ARG A 39 -2.916 -12.045 -3.294 1.00 74.35 O ATOM 589 CB ARG A 39 -2.934 -10.562 -0.755 1.00 13.20 C ATOM 590 CG ARG A 39 -1.627 -10.667 0.013 1.00 32.33 C ATOM 591 CD ARG A 39 -1.499 -12.010 0.717 1.00 43.22 C ATOM 592 NE ARG A 39 -0.709 -11.913 1.941 1.00 44.13 N ATOM 593 CZ ARG A 39 -0.202 -12.967 2.573 1.00 3.52 C ATOM 594 NH1 ARG A 39 -0.403 -14.188 2.099 1.00 35.32 N ATOM 595 NH2 ARG A 39 0.506 -12.797 3.682 1.00 72.24 N ATOM 0 H ARG A 39 -4.873 -9.824 -2.204 1.00 23.24 H new ATOM 0 HA ARG A 39 -2.041 -9.142 -2.097 1.00 51.12 H new ATOM 0 HB2 ARG A 39 -3.639 -9.966 -0.176 1.00 13.20 H new ATOM 0 HB3 ARG A 39 -3.367 -11.557 -0.857 1.00 13.20 H new ATOM 0 HG2 ARG A 39 -0.790 -10.533 -0.672 1.00 32.33 H new ATOM 0 HG3 ARG A 39 -1.570 -9.863 0.747 1.00 32.33 H new ATOM 0 HD2 ARG A 39 -2.492 -12.390 0.956 1.00 43.22 H new ATOM 0 HD3 ARG A 39 -1.036 -12.730 0.043 1.00 43.22 H new ATOM 0 HE ARG A 39 -0.537 -10.987 2.332 1.00 44.13 H new ATOM 0 HH11 ARG A 39 -0.948 -14.321 1.247 1.00 35.32 H new ATOM 0 HH12 ARG A 39 -0.013 -14.995 2.586 1.00 35.32 H new ATOM 0 HH21 ARG A 39 0.661 -11.858 4.049 1.00 72.24 H new ATOM 0 HH22 ARG A 39 0.895 -13.605 4.167 1.00 72.24 H new ATOM 609 N ILE A 40 -1.176 -10.708 -3.794 1.00 70.14 N ATOM 610 CA ILE A 40 -0.605 -11.632 -4.767 1.00 13.51 C ATOM 611 C ILE A 40 0.785 -12.090 -4.338 1.00 40.25 C ATOM 612 O ILE A 40 1.505 -11.391 -3.627 1.00 32.13 O ATOM 613 CB ILE A 40 -0.514 -10.992 -6.164 1.00 22.34 C ATOM 614 CG1 ILE A 40 0.627 -9.973 -6.210 1.00 73.01 C ATOM 615 CG2 ILE A 40 -1.835 -10.332 -6.532 1.00 74.25 C ATOM 616 CD1 ILE A 40 0.700 -9.205 -7.511 1.00 45.34 C ATOM 0 H ILE A 40 -0.649 -9.843 -3.674 1.00 70.14 H new ATOM 0 HA ILE A 40 -1.271 -12.494 -4.814 1.00 13.51 H new ATOM 0 HB ILE A 40 -0.306 -11.776 -6.893 1.00 22.34 H new ATOM 0 HG12 ILE A 40 0.507 -9.268 -5.388 1.00 73.01 H new ATOM 0 HG13 ILE A 40 1.573 -10.491 -6.050 1.00 73.01 H new ATOM 0 HG21 ILE A 40 -1.754 -9.884 -7.522 1.00 74.25 H new ATOM 0 HG22 ILE A 40 -2.627 -11.081 -6.536 1.00 74.25 H new ATOM 0 HG23 ILE A 40 -2.071 -9.558 -5.802 1.00 74.25 H new ATOM 0 HD11 ILE A 40 1.532 -8.501 -7.472 1.00 45.34 H new ATOM 0 HD12 ILE A 40 0.852 -9.901 -8.336 1.00 45.34 H new ATOM 0 HD13 ILE A 40 -0.231 -8.658 -7.664 1.00 45.34 H new ATOM 628 N PRO A 41 1.173 -13.295 -4.783 1.00 11.34 N ATOM 629 CA PRO A 41 2.480 -13.874 -4.461 1.00 34.02 C ATOM 630 C PRO A 41 3.626 -13.142 -5.152 1.00 2.04 C ATOM 631 O PRO A 41 3.430 -12.497 -6.182 1.00 75.45 O ATOM 632 CB PRO A 41 2.372 -15.309 -4.983 1.00 3.20 C ATOM 633 CG PRO A 41 1.345 -15.243 -6.060 1.00 50.24 C ATOM 634 CD PRO A 41 0.365 -14.184 -5.635 1.00 74.21 C ATOM 0 HA PRO A 41 2.702 -13.808 -3.396 1.00 34.02 H new ATOM 0 HB2 PRO A 41 3.328 -15.663 -5.369 1.00 3.20 H new ATOM 0 HB3 PRO A 41 2.073 -15.997 -4.192 1.00 3.20 H new ATOM 0 HG2 PRO A 41 1.800 -14.991 -7.018 1.00 50.24 H new ATOM 0 HG3 PRO A 41 0.849 -16.206 -6.186 1.00 50.24 H new ATOM 0 HD2 PRO A 41 -0.049 -13.652 -6.492 1.00 74.21 H new ATOM 0 HD3 PRO A 41 -0.476 -14.611 -5.088 1.00 74.21 H new ATOM 642 N ALA A 42 4.820 -13.244 -4.577 1.00 64.33 N ATOM 643 CA ALA A 42 5.996 -12.594 -5.140 1.00 23.41 C ATOM 644 C ALA A 42 6.377 -13.212 -6.481 1.00 72.33 C ATOM 645 O ALA A 42 7.189 -12.658 -7.222 1.00 63.10 O ATOM 646 CB ALA A 42 7.163 -12.679 -4.167 1.00 2.22 C ATOM 0 H ALA A 42 4.998 -13.771 -3.722 1.00 64.33 H new ATOM 0 HA ALA A 42 5.754 -11.545 -5.309 1.00 23.41 H new ATOM 0 HB1 ALA A 42 8.035 -12.189 -4.601 1.00 2.22 H new ATOM 0 HB2 ALA A 42 6.895 -12.184 -3.234 1.00 2.22 H new ATOM 0 HB3 ALA A 42 7.396 -13.725 -3.969 1.00 2.22 H new ATOM 652 N SER A 43 5.787 -14.364 -6.785 1.00 5.01 N ATOM 653 CA SER A 43 6.069 -15.059 -8.036 1.00 52.25 C ATOM 654 C SER A 43 5.348 -14.392 -9.203 1.00 70.23 C ATOM 655 O SER A 43 5.885 -14.298 -10.307 1.00 45.24 O ATOM 656 CB SER A 43 5.648 -16.527 -7.933 1.00 42.40 C ATOM 657 OG SER A 43 5.455 -17.093 -9.217 1.00 65.31 O ATOM 0 H SER A 43 5.112 -14.835 -6.183 1.00 5.01 H new ATOM 0 HA SER A 43 7.142 -15.007 -8.218 1.00 52.25 H new ATOM 0 HB2 SER A 43 6.410 -17.090 -7.395 1.00 42.40 H new ATOM 0 HB3 SER A 43 4.727 -16.605 -7.356 1.00 42.40 H new ATOM 0 HG SER A 43 5.188 -18.031 -9.124 1.00 65.31 H new ATOM 663 N VAL A 44 4.127 -13.931 -8.951 1.00 3.33 N ATOM 664 CA VAL A 44 3.331 -13.272 -9.979 1.00 63.01 C ATOM 665 C VAL A 44 3.537 -11.762 -9.950 1.00 22.35 C ATOM 666 O VAL A 44 3.412 -11.087 -10.972 1.00 11.54 O ATOM 667 CB VAL A 44 1.831 -13.577 -9.810 1.00 72.44 C ATOM 668 CG1 VAL A 44 1.272 -12.852 -8.596 1.00 24.12 C ATOM 669 CG2 VAL A 44 1.065 -13.197 -11.069 1.00 31.21 C ATOM 0 H VAL A 44 3.668 -14.002 -8.043 1.00 3.33 H new ATOM 0 HA VAL A 44 3.668 -13.664 -10.939 1.00 63.01 H new ATOM 0 HB VAL A 44 1.712 -14.648 -9.649 1.00 72.44 H new ATOM 0 HG11 VAL A 44 0.211 -13.080 -8.493 1.00 24.12 H new ATOM 0 HG12 VAL A 44 1.802 -13.179 -7.701 1.00 24.12 H new ATOM 0 HG13 VAL A 44 1.402 -11.777 -8.722 1.00 24.12 H new ATOM 0 HG21 VAL A 44 0.007 -13.419 -10.932 1.00 31.21 H new ATOM 0 HG22 VAL A 44 1.190 -12.132 -11.263 1.00 31.21 H new ATOM 0 HG23 VAL A 44 1.449 -13.767 -11.915 1.00 31.21 H new ATOM 679 N VAL A 45 3.856 -11.236 -8.770 1.00 45.01 N ATOM 680 CA VAL A 45 4.081 -9.805 -8.607 1.00 2.44 C ATOM 681 C VAL A 45 5.134 -9.299 -9.587 1.00 15.33 C ATOM 682 O VAL A 45 5.144 -8.124 -9.951 1.00 30.32 O ATOM 683 CB VAL A 45 4.527 -9.467 -7.172 1.00 42.54 C ATOM 684 CG1 VAL A 45 6.027 -9.659 -7.019 1.00 61.15 C ATOM 685 CG2 VAL A 45 4.123 -8.046 -6.810 1.00 15.43 C ATOM 0 H VAL A 45 3.964 -11.780 -7.914 1.00 45.01 H new ATOM 0 HA VAL A 45 3.131 -9.310 -8.811 1.00 2.44 H new ATOM 0 HB VAL A 45 4.027 -10.149 -6.485 1.00 42.54 H new ATOM 0 HG11 VAL A 45 6.323 -9.415 -5.999 1.00 61.15 H new ATOM 0 HG12 VAL A 45 6.285 -10.696 -7.234 1.00 61.15 H new ATOM 0 HG13 VAL A 45 6.551 -9.003 -7.715 1.00 61.15 H new ATOM 0 HG21 VAL A 45 4.446 -7.824 -5.793 1.00 15.43 H new ATOM 0 HG22 VAL A 45 4.594 -7.347 -7.501 1.00 15.43 H new ATOM 0 HG23 VAL A 45 3.039 -7.948 -6.876 1.00 15.43 H new ATOM 695 N GLY A 46 6.020 -10.195 -10.010 1.00 54.05 N ATOM 696 CA GLY A 46 7.065 -9.822 -10.944 1.00 70.20 C ATOM 697 C GLY A 46 6.744 -10.231 -12.369 1.00 15.32 C ATOM 698 O GLY A 46 7.642 -10.373 -13.198 1.00 74.20 O ATOM 0 H GLY A 46 6.032 -11.173 -9.722 1.00 54.05 H new ATOM 0 HA2 GLY A 46 7.215 -8.743 -10.904 1.00 70.20 H new ATOM 0 HA3 GLY A 46 8.003 -10.286 -10.639 1.00 70.20 H new ATOM 702 N SER A 47 5.460 -10.423 -12.652 1.00 41.01 N ATOM 703 CA SER A 47 5.023 -10.824 -13.984 1.00 72.00 C ATOM 704 C SER A 47 3.825 -9.993 -14.436 1.00 74.05 C ATOM 705 O SER A 47 3.729 -9.607 -15.601 1.00 41.10 O ATOM 706 CB SER A 47 4.663 -12.311 -13.999 1.00 61.23 C ATOM 707 OG SER A 47 3.643 -12.578 -14.946 1.00 62.45 O ATOM 0 H SER A 47 4.704 -10.307 -11.977 1.00 41.01 H new ATOM 0 HA SER A 47 5.846 -10.650 -14.678 1.00 72.00 H new ATOM 0 HB2 SER A 47 5.548 -12.901 -14.237 1.00 61.23 H new ATOM 0 HB3 SER A 47 4.332 -12.619 -13.007 1.00 61.23 H new ATOM 0 HG SER A 47 3.432 -13.535 -14.938 1.00 62.45 H new ATOM 713 N ILE A 48 2.916 -9.725 -13.505 1.00 63.32 N ATOM 714 CA ILE A 48 1.725 -8.940 -13.807 1.00 2.41 C ATOM 715 C ILE A 48 2.090 -7.507 -14.179 1.00 41.15 C ATOM 716 O ILE A 48 1.360 -6.840 -14.912 1.00 44.00 O ATOM 717 CB ILE A 48 0.750 -8.916 -12.615 1.00 72.32 C ATOM 718 CG1 ILE A 48 1.467 -8.435 -11.352 1.00 11.43 C ATOM 719 CG2 ILE A 48 0.147 -10.296 -12.396 1.00 33.13 C ATOM 720 CD1 ILE A 48 0.910 -7.143 -10.796 1.00 32.04 C ATOM 0 H ILE A 48 2.981 -10.039 -12.537 1.00 63.32 H new ATOM 0 HA ILE A 48 1.238 -9.420 -14.656 1.00 2.41 H new ATOM 0 HB ILE A 48 -0.058 -8.220 -12.839 1.00 72.32 H new ATOM 0 HG12 ILE A 48 1.399 -9.209 -10.588 1.00 11.43 H new ATOM 0 HG13 ILE A 48 2.525 -8.299 -11.574 1.00 11.43 H new ATOM 0 HG21 ILE A 48 -0.540 -10.263 -11.550 1.00 33.13 H new ATOM 0 HG22 ILE A 48 -0.394 -10.603 -13.291 1.00 33.13 H new ATOM 0 HG23 ILE A 48 0.942 -11.012 -12.190 1.00 33.13 H new ATOM 0 HD11 ILE A 48 1.466 -6.862 -9.902 1.00 32.04 H new ATOM 0 HD12 ILE A 48 1.003 -6.355 -11.543 1.00 32.04 H new ATOM 0 HD13 ILE A 48 -0.141 -7.280 -10.542 1.00 32.04 H new ATOM 805 N TRP A 54 -2.572 -2.016 -12.551 1.00 11.24 N ATOM 806 CA TRP A 54 -3.040 -3.386 -12.375 1.00 13.51 C ATOM 807 C TRP A 54 -4.531 -3.416 -12.058 1.00 4.02 C ATOM 808 O TRP A 54 -5.049 -2.525 -11.382 1.00 61.01 O ATOM 809 CB TRP A 54 -2.255 -4.075 -11.257 1.00 20.43 C ATOM 810 CG TRP A 54 -2.698 -5.484 -11.002 1.00 70.21 C ATOM 811 CD1 TRP A 54 -2.159 -6.621 -11.533 1.00 31.12 C ATOM 812 CD2 TRP A 54 -3.771 -5.904 -10.154 1.00 2.25 C ATOM 813 NE1 TRP A 54 -2.834 -7.723 -11.065 1.00 70.40 N ATOM 814 CE2 TRP A 54 -3.827 -7.310 -10.217 1.00 53.20 C ATOM 815 CE3 TRP A 54 -4.691 -5.230 -9.345 1.00 25.54 C ATOM 816 CZ2 TRP A 54 -4.765 -8.050 -9.503 1.00 41.14 C ATOM 817 CZ3 TRP A 54 -5.621 -5.966 -8.638 1.00 42.13 C ATOM 818 CH2 TRP A 54 -5.653 -7.364 -8.720 1.00 45.44 C ATOM 0 HA TRP A 54 -2.876 -3.922 -13.310 1.00 13.51 H new ATOM 0 HB2 TRP A 54 -1.196 -4.076 -11.514 1.00 20.43 H new ATOM 0 HB3 TRP A 54 -2.360 -3.497 -10.339 1.00 20.43 H new ATOM 0 HD1 TRP A 54 -1.326 -6.650 -12.219 1.00 31.12 H new ATOM 0 HE1 TRP A 54 -2.629 -8.692 -11.310 1.00 70.40 H new ATOM 0 HE3 TRP A 54 -4.674 -4.152 -9.274 1.00 25.54 H new ATOM 0 HZ2 TRP A 54 -4.791 -9.128 -9.565 1.00 41.14 H new ATOM 0 HZ3 TRP A 54 -6.336 -5.455 -8.011 1.00 42.13 H new ATOM 0 HH2 TRP A 54 -6.393 -7.911 -8.154 1.00 45.44 H new ATOM 829 N ILE A 55 -5.215 -4.442 -12.549 1.00 73.24 N ATOM 830 CA ILE A 55 -6.647 -4.588 -12.316 1.00 4.01 C ATOM 831 C ILE A 55 -6.991 -6.005 -11.874 1.00 42.04 C ATOM 832 O ILE A 55 -6.146 -6.900 -11.905 1.00 30.32 O ATOM 833 CB ILE A 55 -7.460 -4.244 -13.579 1.00 11.15 C ATOM 834 CG1 ILE A 55 -6.798 -4.847 -14.819 1.00 34.12 C ATOM 835 CG2 ILE A 55 -7.598 -2.736 -13.726 1.00 13.30 C ATOM 836 CD1 ILE A 55 -7.493 -4.485 -16.112 1.00 13.14 C ATOM 0 H ILE A 55 -4.801 -5.186 -13.111 1.00 73.24 H new ATOM 0 HA ILE A 55 -6.910 -3.889 -11.522 1.00 4.01 H new ATOM 0 HB ILE A 55 -8.457 -4.672 -13.478 1.00 11.15 H new ATOM 0 HG12 ILE A 55 -5.762 -4.512 -14.867 1.00 34.12 H new ATOM 0 HG13 ILE A 55 -6.778 -5.932 -14.718 1.00 34.12 H new ATOM 0 HG21 ILE A 55 -8.175 -2.509 -14.623 1.00 13.30 H new ATOM 0 HG22 ILE A 55 -8.110 -2.331 -12.853 1.00 13.30 H new ATOM 0 HG23 ILE A 55 -6.608 -2.286 -13.808 1.00 13.30 H new ATOM 0 HD11 ILE A 55 -6.969 -4.947 -16.949 1.00 13.14 H new ATOM 0 HD12 ILE A 55 -8.522 -4.844 -16.085 1.00 13.14 H new ATOM 0 HD13 ILE A 55 -7.490 -3.402 -16.236 1.00 13.14 H new ATOM 848 N CYS A 56 -8.239 -6.205 -11.463 1.00 63.34 N ATOM 849 CA CYS A 56 -8.698 -7.514 -11.016 1.00 44.04 C ATOM 850 C CYS A 56 -8.594 -8.540 -12.141 1.00 41.43 C ATOM 851 O CYS A 56 -8.023 -9.616 -11.962 1.00 72.11 O ATOM 852 CB CYS A 56 -10.143 -7.429 -10.520 1.00 73.41 C ATOM 853 SG CYS A 56 -10.433 -6.109 -9.299 1.00 41.15 S ATOM 0 H CYS A 56 -8.951 -5.476 -11.430 1.00 63.34 H new ATOM 0 HA CYS A 56 -8.057 -7.835 -10.195 1.00 44.04 H new ATOM 0 HB2 CYS A 56 -10.800 -7.270 -11.375 1.00 73.41 H new ATOM 0 HB3 CYS A 56 -10.421 -8.386 -10.078 1.00 73.41 H new ATOM 0 HG CYS A 56 -11.251 -5.230 -9.796 1.00 41.15 H new ATOM 858 N MET A 57 -9.150 -8.200 -13.299 1.00 23.02 N ATOM 859 CA MET A 57 -9.119 -9.091 -14.453 1.00 14.12 C ATOM 860 C MET A 57 -7.681 -9.419 -14.847 1.00 44.21 C ATOM 861 O MET A 57 -7.426 -10.415 -15.522 1.00 52.43 O ATOM 862 CB MET A 57 -9.852 -8.455 -15.635 1.00 71.33 C ATOM 863 CG MET A 57 -9.347 -7.065 -15.987 1.00 42.44 C ATOM 864 SD MET A 57 -10.685 -5.870 -16.182 1.00 60.43 S ATOM 865 CE MET A 57 -11.097 -5.540 -14.472 1.00 11.42 C ATOM 0 H MET A 57 -9.628 -7.314 -13.463 1.00 23.02 H new ATOM 0 HA MET A 57 -9.623 -10.018 -14.179 1.00 14.12 H new ATOM 0 HB2 MET A 57 -9.749 -9.102 -16.506 1.00 71.33 H new ATOM 0 HB3 MET A 57 -10.916 -8.398 -15.404 1.00 71.33 H new ATOM 0 HG2 MET A 57 -8.668 -6.721 -15.207 1.00 42.44 H new ATOM 0 HG3 MET A 57 -8.771 -7.115 -16.911 1.00 42.44 H new ATOM 0 HE1 MET A 57 -11.570 -4.561 -14.394 1.00 11.42 H new ATOM 0 HE2 MET A 57 -11.784 -6.305 -14.109 1.00 11.42 H new ATOM 0 HE3 MET A 57 -10.189 -5.553 -13.870 1.00 11.42 H new ATOM 875 N ASN A 58 -6.748 -8.573 -14.423 1.00 11.40 N ATOM 876 CA ASN A 58 -5.338 -8.774 -14.733 1.00 31.23 C ATOM 877 C ASN A 58 -4.697 -9.747 -13.749 1.00 14.45 C ATOM 878 O ASN A 58 -3.562 -10.182 -13.940 1.00 13.41 O ATOM 879 CB ASN A 58 -4.593 -7.437 -14.704 1.00 23.03 C ATOM 880 CG ASN A 58 -4.495 -6.800 -16.077 1.00 53.14 C ATOM 881 OD1 ASN A 58 -3.438 -6.305 -16.470 1.00 54.33 O ATOM 882 ND2 ASN A 58 -5.599 -6.811 -16.814 1.00 33.41 N ATOM 0 H ASN A 58 -6.943 -7.742 -13.864 1.00 11.40 H new ATOM 0 HA ASN A 58 -5.269 -9.200 -15.734 1.00 31.23 H new ATOM 0 HB2 ASN A 58 -5.104 -6.754 -14.025 1.00 23.03 H new ATOM 0 HB3 ASN A 58 -3.590 -7.591 -14.306 1.00 23.03 H new ATOM 0 HD21 ASN A 58 -5.594 -6.398 -17.747 1.00 33.41 H new ATOM 0 HD22 ASN A 58 -6.453 -7.232 -16.448 1.00 33.41 H new ATOM 889 N ASN A 59 -5.432 -10.082 -12.693 1.00 52.25 N ATOM 890 CA ASN A 59 -4.937 -11.005 -11.678 1.00 14.13 C ATOM 891 C ASN A 59 -4.571 -12.350 -12.297 1.00 74.13 C ATOM 892 O ASN A 59 -5.238 -12.824 -13.217 1.00 2.04 O ATOM 893 CB ASN A 59 -5.986 -11.203 -10.583 1.00 14.44 C ATOM 894 CG ASN A 59 -5.443 -11.973 -9.394 1.00 65.30 C ATOM 895 OD1 ASN A 59 -4.234 -12.157 -9.260 1.00 34.10 O ATOM 896 ND2 ASN A 59 -6.339 -12.428 -8.526 1.00 35.32 N ATOM 0 H ASN A 59 -6.372 -9.728 -12.518 1.00 52.25 H new ATOM 0 HA ASN A 59 -4.039 -10.572 -11.237 1.00 14.13 H new ATOM 0 HB2 ASN A 59 -6.346 -10.230 -10.249 1.00 14.44 H new ATOM 0 HB3 ASN A 59 -6.843 -11.735 -10.996 1.00 14.44 H new ATOM 0 HD21 ASN A 59 -6.034 -12.954 -7.707 1.00 35.32 H new ATOM 0 HD22 ASN A 59 -7.332 -12.251 -8.678 1.00 35.32 H new ATOM 903 N SER A 60 -3.507 -12.963 -11.784 1.00 5.53 N ATOM 904 CA SER A 60 -3.052 -14.252 -12.288 1.00 73.02 C ATOM 905 C SER A 60 -4.101 -15.333 -12.045 1.00 21.24 C ATOM 906 O SER A 60 -4.162 -16.327 -12.768 1.00 44.34 O ATOM 907 CB SER A 60 -1.732 -14.647 -11.620 1.00 43.52 C ATOM 908 OG SER A 60 -1.695 -16.037 -11.348 1.00 1.12 O ATOM 0 H SER A 60 -2.945 -12.587 -11.020 1.00 5.53 H new ATOM 0 HA SER A 60 -2.895 -14.159 -13.363 1.00 73.02 H new ATOM 0 HB2 SER A 60 -0.898 -14.378 -12.268 1.00 43.52 H new ATOM 0 HB3 SER A 60 -1.609 -14.088 -10.692 1.00 43.52 H new ATOM 0 HG SER A 60 -0.842 -16.265 -10.923 1.00 1.12 H new ATOM 914 N ASP A 61 -4.925 -15.130 -11.023 1.00 22.53 N ATOM 915 CA ASP A 61 -5.973 -16.084 -10.684 1.00 15.14 C ATOM 916 C ASP A 61 -7.073 -16.083 -11.742 1.00 32.51 C ATOM 917 O ASP A 61 -6.921 -15.488 -12.809 1.00 62.01 O ATOM 918 CB ASP A 61 -6.567 -15.757 -9.312 1.00 64.41 C ATOM 919 CG ASP A 61 -6.879 -17.002 -8.506 1.00 4.54 C ATOM 920 OD1 ASP A 61 -5.941 -17.577 -7.916 1.00 70.34 O ATOM 921 OD2 ASP A 61 -8.062 -17.398 -8.462 1.00 1.22 O ATOM 0 H ASP A 61 -4.887 -14.312 -10.415 1.00 22.53 H new ATOM 0 HA ASP A 61 -5.527 -17.078 -10.650 1.00 15.14 H new ATOM 0 HB2 ASP A 61 -5.868 -15.133 -8.756 1.00 64.41 H new ATOM 0 HB3 ASP A 61 -7.479 -15.174 -9.443 1.00 64.41 H new ATOM 926 N LYS A 62 -8.179 -16.753 -11.439 1.00 60.20 N ATOM 927 CA LYS A 62 -9.305 -16.830 -12.362 1.00 32.22 C ATOM 928 C LYS A 62 -10.617 -16.533 -11.644 1.00 64.45 C ATOM 929 O LYS A 62 -11.399 -15.689 -12.084 1.00 30.22 O ATOM 930 CB LYS A 62 -9.366 -18.215 -13.010 1.00 53.12 C ATOM 931 CG LYS A 62 -8.012 -18.741 -13.451 1.00 71.40 C ATOM 932 CD LYS A 62 -7.374 -19.608 -12.379 1.00 14.43 C ATOM 933 CE LYS A 62 -8.135 -20.912 -12.190 1.00 32.05 C ATOM 934 NZ LYS A 62 -7.220 -22.051 -11.902 1.00 65.20 N ATOM 0 H LYS A 62 -8.320 -17.251 -10.560 1.00 60.20 H new ATOM 0 HA LYS A 62 -9.159 -16.079 -13.139 1.00 32.22 H new ATOM 0 HB2 LYS A 62 -9.807 -18.918 -12.303 1.00 53.12 H new ATOM 0 HB3 LYS A 62 -10.029 -18.174 -13.874 1.00 53.12 H new ATOM 0 HG2 LYS A 62 -8.127 -19.320 -14.368 1.00 71.40 H new ATOM 0 HG3 LYS A 62 -7.353 -17.904 -13.683 1.00 71.40 H new ATOM 0 HD2 LYS A 62 -6.341 -19.825 -12.652 1.00 14.43 H new ATOM 0 HD3 LYS A 62 -7.347 -19.062 -11.436 1.00 14.43 H new ATOM 0 HE2 LYS A 62 -8.847 -20.802 -11.372 1.00 32.05 H new ATOM 0 HE3 LYS A 62 -8.713 -21.129 -13.088 1.00 32.05 H new ATOM 0 HZ1 LYS A 62 -7.777 -22.921 -11.780 1.00 65.20 H new ATOM 0 HZ2 LYS A 62 -6.557 -22.173 -12.694 1.00 65.20 H new ATOM 0 HZ3 LYS A 62 -6.687 -21.856 -11.031 1.00 65.20 H new ATOM 948 N ARG A 63 -10.854 -17.231 -10.540 1.00 72.04 N ATOM 949 CA ARG A 63 -12.072 -17.042 -9.762 1.00 44.33 C ATOM 950 C ARG A 63 -12.073 -15.680 -9.076 1.00 0.33 C ATOM 951 O ARG A 63 -13.128 -15.150 -8.725 1.00 12.32 O ATOM 952 CB ARG A 63 -12.213 -18.151 -8.717 1.00 44.35 C ATOM 953 CG ARG A 63 -13.288 -19.172 -9.055 1.00 61.12 C ATOM 954 CD ARG A 63 -12.830 -20.121 -10.151 1.00 51.44 C ATOM 955 NE ARG A 63 -12.902 -21.518 -9.729 1.00 72.32 N ATOM 956 CZ ARG A 63 -14.023 -22.232 -9.736 1.00 34.13 C ATOM 957 NH1 ARG A 63 -15.160 -21.682 -10.139 1.00 73.25 N ATOM 958 NH2 ARG A 63 -14.007 -23.497 -9.338 1.00 42.44 N ATOM 0 H ARG A 63 -10.218 -17.934 -10.163 1.00 72.04 H new ATOM 0 HA ARG A 63 -12.920 -17.086 -10.446 1.00 44.33 H new ATOM 0 HB2 ARG A 63 -11.257 -18.664 -8.612 1.00 44.35 H new ATOM 0 HB3 ARG A 63 -12.441 -17.701 -7.751 1.00 44.35 H new ATOM 0 HG2 ARG A 63 -13.543 -19.742 -8.162 1.00 61.12 H new ATOM 0 HG3 ARG A 63 -14.194 -18.656 -9.374 1.00 61.12 H new ATOM 0 HD2 ARG A 63 -13.448 -19.977 -11.037 1.00 51.44 H new ATOM 0 HD3 ARG A 63 -11.806 -19.880 -10.435 1.00 51.44 H new ATOM 0 HE ARG A 63 -12.045 -21.970 -9.412 1.00 72.32 H new ATOM 0 HH11 ARG A 63 -15.176 -20.709 -10.445 1.00 73.25 H new ATOM 0 HH12 ARG A 63 -16.019 -22.232 -10.144 1.00 73.25 H new ATOM 0 HH21 ARG A 63 -13.134 -23.923 -9.026 1.00 42.44 H new ATOM 0 HH22 ARG A 63 -14.868 -24.044 -9.344 1.00 42.44 H new ATOM 972 N PHE A 64 -10.884 -15.117 -8.886 1.00 62.25 N ATOM 973 CA PHE A 64 -10.747 -13.817 -8.241 1.00 61.12 C ATOM 974 C PHE A 64 -10.106 -12.805 -9.186 1.00 65.12 C ATOM 975 O PHE A 64 -9.582 -11.781 -8.753 1.00 33.44 O ATOM 976 CB PHE A 64 -9.909 -13.943 -6.967 1.00 43.21 C ATOM 977 CG PHE A 64 -10.704 -14.371 -5.767 1.00 15.20 C ATOM 978 CD1 PHE A 64 -11.427 -15.552 -5.783 1.00 42.33 C ATOM 979 CD2 PHE A 64 -10.728 -13.591 -4.622 1.00 14.50 C ATOM 980 CE1 PHE A 64 -12.159 -15.949 -4.681 1.00 52.53 C ATOM 981 CE2 PHE A 64 -11.458 -13.984 -3.514 1.00 22.52 C ATOM 982 CZ PHE A 64 -12.176 -15.164 -3.545 1.00 10.12 C ATOM 0 H PHE A 64 -10.001 -15.542 -9.170 1.00 62.25 H new ATOM 0 HA PHE A 64 -11.744 -13.462 -7.979 1.00 61.12 H new ATOM 0 HB2 PHE A 64 -9.108 -14.663 -7.138 1.00 43.21 H new ATOM 0 HB3 PHE A 64 -9.436 -12.984 -6.756 1.00 43.21 H new ATOM 0 HD1 PHE A 64 -11.418 -16.170 -6.668 1.00 42.33 H new ATOM 0 HD2 PHE A 64 -10.171 -12.666 -4.594 1.00 14.50 H new ATOM 0 HE1 PHE A 64 -12.718 -16.873 -4.708 1.00 52.53 H new ATOM 0 HE2 PHE A 64 -11.466 -13.369 -2.626 1.00 22.52 H new ATOM 0 HZ PHE A 64 -12.749 -15.472 -2.683 1.00 10.12 H new ATOM 992 N ALA A 65 -10.155 -13.101 -10.481 1.00 22.12 N ATOM 993 CA ALA A 65 -9.581 -12.217 -11.489 1.00 12.40 C ATOM 994 C ALA A 65 -10.672 -11.468 -12.246 1.00 12.13 C ATOM 995 O ALA A 65 -10.922 -11.735 -13.421 1.00 53.31 O ATOM 996 CB ALA A 65 -8.715 -13.012 -12.456 1.00 4.33 C ATOM 0 H ALA A 65 -10.586 -13.946 -10.857 1.00 22.12 H new ATOM 0 HA ALA A 65 -8.957 -11.482 -10.980 1.00 12.40 H new ATOM 0 HB1 ALA A 65 -8.293 -12.340 -13.203 1.00 4.33 H new ATOM 0 HB2 ALA A 65 -7.908 -13.497 -11.907 1.00 4.33 H new ATOM 0 HB3 ALA A 65 -9.323 -13.769 -12.951 1.00 4.33 H new ATOM 1002 N ASP A 66 -11.318 -10.527 -11.564 1.00 64.44 N ATOM 1003 CA ASP A 66 -12.383 -9.738 -12.174 1.00 74.34 C ATOM 1004 C ASP A 66 -12.939 -8.720 -11.183 1.00 31.45 C ATOM 1005 O ASP A 66 -13.043 -8.993 -9.987 1.00 53.34 O ATOM 1006 CB ASP A 66 -13.506 -10.651 -12.669 1.00 75.41 C ATOM 1007 CG ASP A 66 -13.470 -10.850 -14.171 1.00 70.40 C ATOM 1008 OD1 ASP A 66 -13.535 -9.842 -14.905 1.00 24.32 O ATOM 1009 OD2 ASP A 66 -13.374 -12.014 -14.614 1.00 3.42 O ATOM 0 H ASP A 66 -11.123 -10.293 -10.591 1.00 64.44 H new ATOM 0 HA ASP A 66 -11.962 -9.201 -13.024 1.00 74.34 H new ATOM 0 HB2 ASP A 66 -13.427 -11.619 -12.175 1.00 75.41 H new ATOM 0 HB3 ASP A 66 -14.468 -10.225 -12.385 1.00 75.41 H new ATOM 1014 N CYS A 67 -13.293 -7.543 -11.688 1.00 23.21 N ATOM 1015 CA CYS A 67 -13.837 -6.482 -10.848 1.00 64.34 C ATOM 1016 C CYS A 67 -15.146 -6.920 -10.198 1.00 73.14 C ATOM 1017 O CYS A 67 -15.520 -6.422 -9.137 1.00 61.15 O ATOM 1018 CB CYS A 67 -14.064 -5.215 -11.675 1.00 4.02 C ATOM 1019 SG CYS A 67 -12.609 -4.123 -11.778 1.00 43.43 S ATOM 0 H CYS A 67 -13.213 -7.300 -12.675 1.00 23.21 H new ATOM 0 HA CYS A 67 -13.114 -6.269 -10.060 1.00 64.34 H new ATOM 0 HB2 CYS A 67 -14.362 -5.501 -12.684 1.00 4.02 H new ATOM 0 HB3 CYS A 67 -14.894 -4.656 -11.243 1.00 4.02 H new ATOM 0 HG CYS A 67 -12.355 -3.626 -10.604 1.00 43.43 H new ATOM 1024 N SER A 68 -15.837 -7.855 -10.843 1.00 54.04 N ATOM 1025 CA SER A 68 -17.106 -8.358 -10.330 1.00 21.41 C ATOM 1026 C SER A 68 -16.896 -9.148 -9.042 1.00 74.34 C ATOM 1027 O SER A 68 -17.796 -9.251 -8.208 1.00 20.02 O ATOM 1028 CB SER A 68 -17.790 -9.239 -11.377 1.00 14.42 C ATOM 1029 OG SER A 68 -18.719 -10.122 -10.772 1.00 3.30 O ATOM 0 H SER A 68 -15.539 -8.279 -11.722 1.00 54.04 H new ATOM 0 HA SER A 68 -17.746 -7.503 -10.111 1.00 21.41 H new ATOM 0 HB2 SER A 68 -18.302 -8.611 -12.107 1.00 14.42 H new ATOM 0 HB3 SER A 68 -17.039 -9.813 -11.921 1.00 14.42 H new ATOM 0 HG SER A 68 -19.144 -10.673 -11.462 1.00 3.30 H new ATOM 1035 N LYS A 69 -15.700 -9.707 -8.887 1.00 15.32 N ATOM 1036 CA LYS A 69 -15.368 -10.488 -7.701 1.00 31.22 C ATOM 1037 C LYS A 69 -15.283 -9.595 -6.467 1.00 33.34 C ATOM 1038 O LYS A 69 -15.195 -8.372 -6.579 1.00 61.34 O ATOM 1039 CB LYS A 69 -14.041 -11.223 -7.904 1.00 43.13 C ATOM 1040 CG LYS A 69 -13.991 -12.045 -9.181 1.00 22.45 C ATOM 1041 CD LYS A 69 -15.123 -13.056 -9.239 1.00 31.32 C ATOM 1042 CE LYS A 69 -15.091 -13.854 -10.533 1.00 33.41 C ATOM 1043 NZ LYS A 69 -16.036 -13.307 -11.545 1.00 65.04 N ATOM 0 H LYS A 69 -14.944 -9.634 -9.568 1.00 15.32 H new ATOM 0 HA LYS A 69 -16.161 -11.219 -7.545 1.00 31.22 H new ATOM 0 HB2 LYS A 69 -13.230 -10.495 -7.918 1.00 43.13 H new ATOM 0 HB3 LYS A 69 -13.865 -11.879 -7.052 1.00 43.13 H new ATOM 0 HG2 LYS A 69 -14.050 -11.382 -10.044 1.00 22.45 H new ATOM 0 HG3 LYS A 69 -13.035 -12.564 -9.243 1.00 22.45 H new ATOM 0 HD2 LYS A 69 -15.050 -13.735 -8.390 1.00 31.32 H new ATOM 0 HD3 LYS A 69 -16.079 -12.539 -9.152 1.00 31.32 H new ATOM 0 HE2 LYS A 69 -14.080 -13.847 -10.939 1.00 33.41 H new ATOM 0 HE3 LYS A 69 -15.343 -14.894 -10.325 1.00 33.41 H new ATOM 0 HZ1 LYS A 69 -15.985 -13.878 -12.413 1.00 65.04 H new ATOM 0 HZ2 LYS A 69 -17.005 -13.337 -11.168 1.00 65.04 H new ATOM 0 HZ3 LYS A 69 -15.780 -12.323 -11.763 1.00 65.04 H new ATOM 1057 N SER A 70 -15.308 -10.213 -5.291 1.00 72.20 N ATOM 1058 CA SER A 70 -15.235 -9.474 -4.036 1.00 23.21 C ATOM 1059 C SER A 70 -13.785 -9.284 -3.600 1.00 50.43 C ATOM 1060 O SER A 70 -12.872 -9.882 -4.169 1.00 61.34 O ATOM 1061 CB SER A 70 -16.017 -10.203 -2.943 1.00 52.02 C ATOM 1062 OG SER A 70 -16.207 -11.568 -3.277 1.00 11.13 O ATOM 0 H SER A 70 -15.378 -11.225 -5.181 1.00 72.20 H new ATOM 0 HA SER A 70 -15.679 -8.492 -4.196 1.00 23.21 H new ATOM 0 HB2 SER A 70 -15.482 -10.128 -1.997 1.00 52.02 H new ATOM 0 HB3 SER A 70 -16.985 -9.722 -2.801 1.00 52.02 H new ATOM 0 HG SER A 70 -16.708 -12.013 -2.562 1.00 11.13 H new ATOM 1068 N GLN A 71 -13.582 -8.449 -2.587 1.00 1.30 N ATOM 1069 CA GLN A 71 -12.244 -8.180 -2.074 1.00 31.01 C ATOM 1070 C GLN A 71 -11.670 -9.411 -1.380 1.00 53.32 C ATOM 1071 O GLN A 71 -12.402 -10.337 -1.033 1.00 23.25 O ATOM 1072 CB GLN A 71 -12.275 -6.999 -1.102 1.00 42.14 C ATOM 1073 CG GLN A 71 -10.897 -6.443 -0.777 1.00 44.32 C ATOM 1074 CD GLN A 71 -10.955 -5.039 -0.210 1.00 21.13 C ATOM 1075 OE1 GLN A 71 -12.028 -4.442 -0.106 1.00 73.22 O ATOM 1076 NE2 GLN A 71 -9.799 -4.502 0.162 1.00 60.13 N ATOM 0 H GLN A 71 -14.327 -7.947 -2.105 1.00 1.30 H new ATOM 0 HA GLN A 71 -11.602 -7.929 -2.918 1.00 31.01 H new ATOM 0 HB2 GLN A 71 -12.887 -6.204 -1.528 1.00 42.14 H new ATOM 0 HB3 GLN A 71 -12.759 -7.313 -0.177 1.00 42.14 H new ATOM 0 HG2 GLN A 71 -10.404 -7.100 -0.061 1.00 44.32 H new ATOM 0 HG3 GLN A 71 -10.287 -6.441 -1.681 1.00 44.32 H new ATOM 0 HE21 GLN A 71 -8.934 -5.032 0.058 1.00 60.13 H new ATOM 0 HE22 GLN A 71 -9.776 -3.560 0.552 1.00 60.13 H new ATOM 1085 N GLU A 72 -10.356 -9.413 -1.182 1.00 35.02 N ATOM 1086 CA GLU A 72 -9.684 -10.532 -0.529 1.00 23.43 C ATOM 1087 C GLU A 72 -9.645 -10.336 0.983 1.00 22.43 C ATOM 1088 O GLU A 72 -9.851 -11.278 1.747 1.00 23.11 O ATOM 1089 CB GLU A 72 -8.262 -10.687 -1.072 1.00 14.10 C ATOM 1090 CG GLU A 72 -8.206 -11.249 -2.483 1.00 3.52 C ATOM 1091 CD GLU A 72 -7.696 -12.676 -2.522 1.00 61.41 C ATOM 1092 OE1 GLU A 72 -6.479 -12.877 -2.326 1.00 54.42 O ATOM 1093 OE2 GLU A 72 -8.514 -13.592 -2.749 1.00 25.51 O ATOM 0 H GLU A 72 -9.736 -8.654 -1.464 1.00 35.02 H new ATOM 0 HA GLU A 72 -10.249 -11.439 -0.745 1.00 23.43 H new ATOM 0 HB2 GLU A 72 -7.769 -9.715 -1.057 1.00 14.10 H new ATOM 0 HB3 GLU A 72 -7.698 -11.341 -0.407 1.00 14.10 H new ATOM 0 HG2 GLU A 72 -9.202 -11.211 -2.925 1.00 3.52 H new ATOM 0 HG3 GLU A 72 -7.561 -10.619 -3.096 1.00 3.52 H new ATOM 1100 N MET A 73 -9.378 -9.104 1.408 1.00 73.23 N ATOM 1101 CA MET A 73 -9.312 -8.783 2.829 1.00 53.14 C ATOM 1102 C MET A 73 -9.999 -7.453 3.119 1.00 44.53 C ATOM 1103 O MET A 73 -10.297 -6.686 2.204 1.00 63.12 O ATOM 1104 CB MET A 73 -7.856 -8.731 3.294 1.00 0.12 C ATOM 1105 CG MET A 73 -7.207 -10.100 3.420 1.00 22.21 C ATOM 1106 SD MET A 73 -6.026 -10.187 4.780 1.00 2.54 S ATOM 1107 CE MET A 73 -5.207 -8.602 4.619 1.00 33.21 C ATOM 0 H MET A 73 -9.204 -8.313 0.788 1.00 73.23 H new ATOM 0 HA MET A 73 -9.833 -9.567 3.378 1.00 53.14 H new ATOM 0 HB2 MET A 73 -7.280 -8.129 2.591 1.00 0.12 H new ATOM 0 HB3 MET A 73 -7.810 -8.226 4.259 1.00 0.12 H new ATOM 0 HG2 MET A 73 -7.981 -10.853 3.568 1.00 22.21 H new ATOM 0 HG3 MET A 73 -6.699 -10.344 2.487 1.00 22.21 H new ATOM 0 HE1 MET A 73 -4.139 -8.724 4.800 1.00 33.21 H new ATOM 0 HE2 MET A 73 -5.363 -8.213 3.613 1.00 33.21 H new ATOM 0 HE3 MET A 73 -5.620 -7.903 5.346 1.00 33.21 H new ATOM 1117 N SER A 74 -10.250 -7.188 4.397 1.00 3.10 N ATOM 1118 CA SER A 74 -10.907 -5.952 4.806 1.00 0.44 C ATOM 1119 C SER A 74 -9.904 -4.805 4.890 1.00 71.42 C ATOM 1120 O SER A 74 -8.724 -5.017 5.169 1.00 42.34 O ATOM 1121 CB SER A 74 -11.597 -6.140 6.159 1.00 12.03 C ATOM 1122 OG SER A 74 -12.664 -7.068 6.063 1.00 73.02 O ATOM 0 H SER A 74 -10.009 -7.812 5.167 1.00 3.10 H new ATOM 0 HA SER A 74 -11.656 -5.702 4.055 1.00 0.44 H new ATOM 0 HB2 SER A 74 -10.873 -6.489 6.895 1.00 12.03 H new ATOM 0 HB3 SER A 74 -11.975 -5.181 6.514 1.00 12.03 H new ATOM 0 HG SER A 74 -13.087 -7.172 6.941 1.00 73.02 H new ATOM 1128 N ASN A 75 -10.383 -3.590 4.645 1.00 34.42 N ATOM 1129 CA ASN A 75 -9.529 -2.409 4.691 1.00 14.14 C ATOM 1130 C ASN A 75 -8.723 -2.370 5.986 1.00 3.23 C ATOM 1131 O ASN A 75 -7.554 -1.986 5.991 1.00 63.11 O ATOM 1132 CB ASN A 75 -10.372 -1.139 4.563 1.00 60.22 C ATOM 1133 CG ASN A 75 -9.939 -0.272 3.397 1.00 42.14 C ATOM 1134 OD1 ASN A 75 -9.742 0.934 3.544 1.00 2.44 O ATOM 1135 ND2 ASN A 75 -9.789 -0.885 2.228 1.00 60.21 N ATOM 0 H ASN A 75 -11.357 -3.397 4.413 1.00 34.42 H new ATOM 0 HA ASN A 75 -8.834 -2.461 3.853 1.00 14.14 H new ATOM 0 HB2 ASN A 75 -11.420 -1.413 4.439 1.00 60.22 H new ATOM 0 HB3 ASN A 75 -10.300 -0.564 5.486 1.00 60.22 H new ATOM 0 HD21 ASN A 75 -9.500 -0.354 1.407 1.00 60.21 H new ATOM 0 HD22 ASN A 75 -9.963 -1.887 2.152 1.00 60.21 H new ATOM 1142 N GLU A 76 -9.358 -2.771 7.084 1.00 73.41 N ATOM 1143 CA GLU A 76 -8.700 -2.781 8.385 1.00 50.30 C ATOM 1144 C GLU A 76 -7.514 -3.741 8.388 1.00 64.53 C ATOM 1145 O GLU A 76 -6.419 -3.389 8.825 1.00 63.30 O ATOM 1146 CB GLU A 76 -9.693 -3.178 9.479 1.00 14.11 C ATOM 1147 CG GLU A 76 -10.422 -4.480 9.197 1.00 50.52 C ATOM 1148 CD GLU A 76 -11.859 -4.462 9.682 1.00 20.14 C ATOM 1149 OE1 GLU A 76 -12.077 -4.636 10.899 1.00 50.45 O ATOM 1150 OE2 GLU A 76 -12.765 -4.272 8.844 1.00 73.12 O ATOM 0 H GLU A 76 -10.326 -3.093 7.098 1.00 73.41 H new ATOM 0 HA GLU A 76 -8.331 -1.775 8.585 1.00 50.30 H new ATOM 0 HB2 GLU A 76 -9.161 -3.267 10.426 1.00 14.11 H new ATOM 0 HB3 GLU A 76 -10.426 -2.380 9.600 1.00 14.11 H new ATOM 0 HG2 GLU A 76 -10.407 -4.675 8.125 1.00 50.52 H new ATOM 0 HG3 GLU A 76 -9.890 -5.301 9.678 1.00 50.52 H new ATOM 1157 N GLU A 77 -7.740 -4.955 7.896 1.00 44.40 N ATOM 1158 CA GLU A 77 -6.691 -5.966 7.843 1.00 24.21 C ATOM 1159 C GLU A 77 -5.537 -5.505 6.958 1.00 22.43 C ATOM 1160 O GLU A 77 -4.369 -5.713 7.285 1.00 73.53 O ATOM 1161 CB GLU A 77 -7.253 -7.289 7.320 1.00 30.51 C ATOM 1162 CG GLU A 77 -6.434 -8.502 7.729 1.00 22.51 C ATOM 1163 CD GLU A 77 -6.341 -8.663 9.233 1.00 12.44 C ATOM 1164 OE1 GLU A 77 -7.259 -8.192 9.937 1.00 2.01 O ATOM 1165 OE2 GLU A 77 -5.352 -9.259 9.707 1.00 61.15 O ATOM 0 H GLU A 77 -8.641 -5.262 7.528 1.00 44.40 H new ATOM 0 HA GLU A 77 -6.313 -6.115 8.855 1.00 24.21 H new ATOM 0 HB2 GLU A 77 -8.273 -7.410 7.684 1.00 30.51 H new ATOM 0 HB3 GLU A 77 -7.306 -7.247 6.232 1.00 30.51 H new ATOM 0 HG2 GLU A 77 -6.880 -9.399 7.298 1.00 22.51 H new ATOM 0 HG3 GLU A 77 -5.430 -8.414 7.314 1.00 22.51 H new ATOM 1172 N ILE A 78 -5.873 -4.879 5.835 1.00 3.43 N ATOM 1173 CA ILE A 78 -4.866 -4.388 4.904 1.00 21.33 C ATOM 1174 C ILE A 78 -4.092 -3.215 5.497 1.00 53.43 C ATOM 1175 O ILE A 78 -2.866 -3.159 5.409 1.00 42.21 O ATOM 1176 CB ILE A 78 -5.498 -3.947 3.570 1.00 72.14 C ATOM 1177 CG1 ILE A 78 -6.365 -5.071 2.997 1.00 52.43 C ATOM 1178 CG2 ILE A 78 -4.417 -3.546 2.578 1.00 64.14 C ATOM 1179 CD1 ILE A 78 -7.302 -4.612 1.902 1.00 44.13 C ATOM 0 H ILE A 78 -6.835 -4.700 5.548 1.00 3.43 H new ATOM 0 HA ILE A 78 -4.181 -5.215 4.717 1.00 21.33 H new ATOM 0 HB ILE A 78 -6.133 -3.080 3.754 1.00 72.14 H new ATOM 0 HG12 ILE A 78 -5.717 -5.855 2.605 1.00 52.43 H new ATOM 0 HG13 ILE A 78 -6.950 -5.514 3.803 1.00 52.43 H new ATOM 0 HG21 ILE A 78 -4.880 -3.237 1.641 1.00 64.14 H new ATOM 0 HG22 ILE A 78 -3.837 -2.718 2.987 1.00 64.14 H new ATOM 0 HG23 ILE A 78 -3.758 -4.395 2.395 1.00 64.14 H new ATOM 0 HD11 ILE A 78 -7.885 -5.460 1.543 1.00 44.13 H new ATOM 0 HD12 ILE A 78 -7.975 -3.849 2.295 1.00 44.13 H new ATOM 0 HD13 ILE A 78 -6.722 -4.195 1.078 1.00 44.13 H new ATOM 1191 N ASN A 79 -4.817 -2.281 6.104 1.00 60.14 N ATOM 1192 CA ASN A 79 -4.199 -1.110 6.714 1.00 5.44 C ATOM 1193 C ASN A 79 -3.202 -1.521 7.793 1.00 23.14 C ATOM 1194 O ASN A 79 -2.091 -0.994 7.858 1.00 44.13 O ATOM 1195 CB ASN A 79 -5.271 -0.197 7.315 1.00 74.51 C ATOM 1196 CG ASN A 79 -4.937 0.230 8.731 1.00 12.52 C ATOM 1197 OD1 ASN A 79 -4.226 1.212 8.945 1.00 64.24 O ATOM 1198 ND2 ASN A 79 -5.450 -0.508 9.709 1.00 50.34 N ATOM 0 H ASN A 79 -5.833 -2.313 6.186 1.00 60.14 H new ATOM 0 HA ASN A 79 -3.662 -0.567 5.937 1.00 5.44 H new ATOM 0 HB2 ASN A 79 -5.384 0.688 6.688 1.00 74.51 H new ATOM 0 HB3 ASN A 79 -6.230 -0.715 7.311 1.00 74.51 H new ATOM 0 HD21 ASN A 79 -5.260 -0.269 10.682 1.00 50.34 H new ATOM 0 HD22 ASN A 79 -6.034 -1.314 9.487 1.00 50.34 H new ATOM 1205 N GLU A 80 -3.605 -2.466 8.636 1.00 43.33 N ATOM 1206 CA GLU A 80 -2.746 -2.947 9.711 1.00 44.31 C ATOM 1207 C GLU A 80 -1.663 -3.874 9.168 1.00 35.11 C ATOM 1208 O GLU A 80 -0.577 -3.974 9.737 1.00 54.45 O ATOM 1209 CB GLU A 80 -3.577 -3.679 10.768 1.00 34.23 C ATOM 1210 CG GLU A 80 -3.769 -5.157 10.475 1.00 13.15 C ATOM 1211 CD GLU A 80 -2.636 -6.010 11.011 1.00 52.33 C ATOM 1212 OE1 GLU A 80 -2.279 -5.847 12.197 1.00 22.50 O ATOM 1213 OE2 GLU A 80 -2.107 -6.843 10.245 1.00 3.11 O ATOM 0 H GLU A 80 -4.521 -2.914 8.595 1.00 43.33 H new ATOM 0 HA GLU A 80 -2.264 -2.084 10.171 1.00 44.31 H new ATOM 0 HB2 GLU A 80 -3.093 -3.570 11.738 1.00 34.23 H new ATOM 0 HB3 GLU A 80 -4.554 -3.202 10.844 1.00 34.23 H new ATOM 0 HG2 GLU A 80 -4.709 -5.491 10.913 1.00 13.15 H new ATOM 0 HG3 GLU A 80 -3.850 -5.302 9.398 1.00 13.15 H new ATOM 1220 N GLU A 81 -1.968 -4.549 8.065 1.00 62.45 N ATOM 1221 CA GLU A 81 -1.020 -5.469 7.446 1.00 5.41 C ATOM 1222 C GLU A 81 0.213 -4.723 6.946 1.00 70.24 C ATOM 1223 O GLU A 81 1.344 -5.074 7.284 1.00 74.41 O ATOM 1224 CB GLU A 81 -1.684 -6.216 6.287 1.00 50.12 C ATOM 1225 CG GLU A 81 -0.722 -7.084 5.493 1.00 33.05 C ATOM 1226 CD GLU A 81 -0.027 -8.122 6.353 1.00 62.02 C ATOM 1227 OE1 GLU A 81 -0.709 -8.760 7.182 1.00 40.42 O ATOM 1228 OE2 GLU A 81 1.200 -8.296 6.197 1.00 31.14 O ATOM 0 H GLU A 81 -2.863 -4.477 7.581 1.00 62.45 H new ATOM 0 HA GLU A 81 -0.706 -6.190 8.200 1.00 5.41 H new ATOM 0 HB2 GLU A 81 -2.485 -6.842 6.680 1.00 50.12 H new ATOM 0 HB3 GLU A 81 -2.146 -5.492 5.616 1.00 50.12 H new ATOM 0 HG2 GLU A 81 -1.267 -7.586 4.693 1.00 33.05 H new ATOM 0 HG3 GLU A 81 0.027 -6.450 5.019 1.00 33.05 H new ATOM 1235 N LEU A 82 -0.012 -3.694 6.138 1.00 70.03 N ATOM 1236 CA LEU A 82 1.080 -2.898 5.589 1.00 72.21 C ATOM 1237 C LEU A 82 1.554 -1.855 6.596 1.00 44.21 C ATOM 1238 O LEU A 82 2.721 -1.467 6.601 1.00 23.23 O ATOM 1239 CB LEU A 82 0.638 -2.211 4.296 1.00 24.44 C ATOM 1240 CG LEU A 82 0.103 -3.130 3.197 1.00 21.41 C ATOM 1241 CD1 LEU A 82 -1.374 -2.865 2.951 1.00 1.12 C ATOM 1242 CD2 LEU A 82 0.900 -2.944 1.913 1.00 73.32 C ATOM 0 H LEU A 82 -0.942 -3.391 5.848 1.00 70.03 H new ATOM 0 HA LEU A 82 1.911 -3.569 5.371 1.00 72.21 H new ATOM 0 HB2 LEU A 82 -0.135 -1.483 4.541 1.00 24.44 H new ATOM 0 HB3 LEU A 82 1.485 -1.654 3.896 1.00 24.44 H new ATOM 0 HG LEU A 82 0.216 -4.163 3.527 1.00 21.41 H new ATOM 0 HD11 LEU A 82 -1.737 -3.528 2.166 1.00 1.12 H new ATOM 0 HD12 LEU A 82 -1.934 -3.048 3.868 1.00 1.12 H new ATOM 0 HD13 LEU A 82 -1.511 -1.829 2.643 1.00 1.12 H new ATOM 0 HD21 LEU A 82 0.506 -3.605 1.141 1.00 73.32 H new ATOM 0 HD22 LEU A 82 0.818 -1.909 1.581 1.00 73.32 H new ATOM 0 HD23 LEU A 82 1.947 -3.184 2.097 1.00 73.32 H new ATOM 1254 N GLY A 83 0.639 -1.408 7.451 1.00 24.03 N ATOM 1255 CA GLY A 83 0.983 -0.415 8.453 1.00 65.15 C ATOM 1256 C GLY A 83 0.820 1.003 7.944 1.00 3.50 C ATOM 1257 O GLY A 83 1.608 1.886 8.285 1.00 23.33 O ATOM 0 H GLY A 83 -0.333 -1.715 7.468 1.00 24.03 H new ATOM 0 HA2 GLY A 83 0.354 -0.557 9.332 1.00 65.15 H new ATOM 0 HA3 GLY A 83 2.014 -0.567 8.772 1.00 65.15 H new ATOM 1261 N ILE A 84 -0.203 1.223 7.125 1.00 55.44 N ATOM 1262 CA ILE A 84 -0.466 2.544 6.569 1.00 42.04 C ATOM 1263 C ILE A 84 -1.662 3.200 7.250 1.00 52.40 C ATOM 1264 O ILE A 84 -2.215 2.663 8.208 1.00 54.12 O ATOM 1265 CB ILE A 84 -0.728 2.474 5.053 1.00 62.33 C ATOM 1266 CG1 ILE A 84 -1.971 1.629 4.766 1.00 0.11 C ATOM 1267 CG2 ILE A 84 0.484 1.904 4.331 1.00 71.41 C ATOM 1268 CD1 ILE A 84 -2.392 1.645 3.313 1.00 33.22 C ATOM 0 H ILE A 84 -0.863 0.503 6.832 1.00 55.44 H new ATOM 0 HA ILE A 84 0.425 3.145 6.749 1.00 42.04 H new ATOM 0 HB ILE A 84 -0.905 3.484 4.684 1.00 62.33 H new ATOM 0 HG12 ILE A 84 -1.778 0.600 5.068 1.00 0.11 H new ATOM 0 HG13 ILE A 84 -2.796 1.992 5.379 1.00 0.11 H new ATOM 0 HG21 ILE A 84 0.283 1.861 3.261 1.00 71.41 H new ATOM 0 HG22 ILE A 84 1.349 2.542 4.512 1.00 71.41 H new ATOM 0 HG23 ILE A 84 0.690 0.900 4.702 1.00 71.41 H new ATOM 0 HD11 ILE A 84 -3.279 1.025 3.184 1.00 33.22 H new ATOM 0 HD12 ILE A 84 -2.617 2.668 3.011 1.00 33.22 H new ATOM 0 HD13 ILE A 84 -1.583 1.254 2.696 1.00 33.22 H new ATOM 1280 N GLY A 85 -2.057 4.365 6.747 1.00 30.12 N ATOM 1281 CA GLY A 85 -3.186 5.076 7.318 1.00 71.10 C ATOM 1282 C GLY A 85 -4.331 5.230 6.337 1.00 31.22 C ATOM 1283 O GLY A 85 -4.687 6.346 5.959 1.00 52.41 O ATOM 0 H GLY A 85 -1.615 4.830 5.954 1.00 30.12 H new ATOM 0 HA2 GLY A 85 -3.538 4.543 8.201 1.00 71.10 H new ATOM 0 HA3 GLY A 85 -2.860 6.062 7.649 1.00 71.10 H new ATOM 1287 N GLN A 86 -4.908 4.107 5.921 1.00 73.41 N ATOM 1288 CA GLN A 86 -6.017 4.123 4.975 1.00 51.12 C ATOM 1289 C GLN A 86 -7.140 5.028 5.469 1.00 1.53 C ATOM 1290 O GLN A 86 -7.103 5.521 6.596 1.00 31.34 O ATOM 1291 CB GLN A 86 -6.548 2.706 4.756 1.00 41.45 C ATOM 1292 CG GLN A 86 -6.039 2.055 3.479 1.00 23.41 C ATOM 1293 CD GLN A 86 -6.122 0.542 3.520 1.00 34.23 C ATOM 1294 OE1 GLN A 86 -6.946 -0.026 4.237 1.00 51.21 O ATOM 1295 NE2 GLN A 86 -5.266 -0.119 2.750 1.00 41.01 N ATOM 0 H GLN A 86 -4.626 3.175 6.224 1.00 73.41 H new ATOM 0 HA GLN A 86 -5.648 4.516 4.028 1.00 51.12 H new ATOM 0 HB2 GLN A 86 -6.266 2.086 5.607 1.00 41.45 H new ATOM 0 HB3 GLN A 86 -7.637 2.735 4.730 1.00 41.45 H new ATOM 0 HG2 GLN A 86 -6.618 2.424 2.632 1.00 23.41 H new ATOM 0 HG3 GLN A 86 -5.004 2.354 3.311 1.00 23.41 H new ATOM 0 HE21 GLN A 86 -4.600 0.393 2.172 1.00 41.01 H new ATOM 0 HE22 GLN A 86 -5.274 -1.139 2.737 1.00 41.01 H new