USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 424 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 67 SER OG : rot 32:sc= 0.557 USER MOD Set 1.2: A 68 ASN : amide:sc= -0.543 K(o=0.014,f=-5.6!) USER MOD Single : A 30 SER OG : rot 29:sc= 0.115 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 157:sc= -1.58 (180deg=-3.25) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -40:sc= 0.725 USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= -0.0139 (180deg=-0.117) USER MOD Single : A 71 GLN : amide:sc= -0.0595 X(o=-0.06,f=-0.28) USER MOD Single : A 74 GLN : amide:sc= -0.0178 K(o=-0.018,f=-0.74) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.554 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : +bothHN:sc= 0.227 K(o=0.23,f=-3.5!) USER MOD Single : A 82 ASN : amide:sc= 0.0707 K(o=0.071,f=-1.8!) USER MOD Single : A 91 THR OG1 : rot -41:sc= 0.607 USER MOD ----------------------------------------------------------------- ATOM 429 N VAL A 29 3.995 -27.650 -55.363 1.00 0.00 N ATOM 430 CA VAL A 29 4.124 -28.795 -54.441 1.00 0.00 C ATOM 431 C VAL A 29 5.599 -28.983 -54.022 1.00 0.00 C ATOM 432 O VAL A 29 6.457 -29.327 -54.839 1.00 0.00 O ATOM 433 CB VAL A 29 3.510 -30.125 -55.057 1.00 0.00 C ATOM 434 CG1 VAL A 29 1.974 -29.995 -55.193 1.00 0.00 C ATOM 435 CG2 VAL A 29 4.147 -30.498 -56.426 1.00 0.00 C ATOM 0 HA VAL A 29 3.543 -28.574 -53.546 1.00 0.00 H new ATOM 0 HB VAL A 29 3.744 -30.935 -54.366 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.567 -30.913 -55.616 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.535 -29.823 -54.210 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.736 -29.157 -55.848 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.691 -31.414 -56.802 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.978 -29.690 -57.138 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.219 -30.652 -56.299 1.00 0.00 H new ATOM 445 N SER A 30 5.893 -28.705 -52.739 1.00 0.00 N ATOM 446 CA SER A 30 7.230 -28.875 -52.150 1.00 0.00 C ATOM 447 C SER A 30 7.095 -29.436 -50.723 1.00 0.00 C ATOM 448 O SER A 30 6.386 -28.866 -49.881 1.00 0.00 O ATOM 449 CB SER A 30 7.991 -27.530 -52.140 1.00 0.00 C ATOM 450 OG SER A 30 7.254 -26.522 -51.463 1.00 0.00 O ATOM 0 H SER A 30 5.201 -28.353 -52.077 1.00 0.00 H new ATOM 0 HA SER A 30 7.802 -29.579 -52.754 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.959 -27.662 -51.657 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.187 -27.213 -53.164 1.00 0.00 H new ATOM 0 HG SER A 30 6.685 -26.935 -50.781 1.00 0.00 H new ATOM 456 N VAL A 31 7.754 -30.582 -50.480 1.00 0.00 N ATOM 457 CA VAL A 31 7.777 -31.264 -49.171 1.00 0.00 C ATOM 458 C VAL A 31 9.185 -31.163 -48.566 1.00 0.00 C ATOM 459 O VAL A 31 10.167 -31.550 -49.205 1.00 0.00 O ATOM 460 CB VAL A 31 7.359 -32.781 -49.291 1.00 0.00 C ATOM 461 CG1 VAL A 31 7.321 -33.472 -47.899 1.00 0.00 C ATOM 462 CG2 VAL A 31 6.006 -32.924 -50.029 1.00 0.00 C ATOM 0 H VAL A 31 8.294 -31.069 -51.196 1.00 0.00 H new ATOM 0 HA VAL A 31 7.052 -30.770 -48.523 1.00 0.00 H new ATOM 0 HB VAL A 31 8.119 -33.290 -49.884 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.030 -34.515 -48.019 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.309 -33.421 -47.441 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.598 -32.964 -47.260 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.739 -33.979 -50.099 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.232 -32.390 -49.477 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.092 -32.504 -51.031 1.00 0.00 H new ATOM 472 N GLU A 32 9.277 -30.625 -47.339 1.00 0.00 N ATOM 473 CA GLU A 32 10.546 -30.526 -46.604 1.00 0.00 C ATOM 474 C GLU A 32 10.879 -31.876 -45.931 1.00 0.00 C ATOM 475 O GLU A 32 10.259 -32.266 -44.935 1.00 0.00 O ATOM 476 CB GLU A 32 10.498 -29.367 -45.572 1.00 0.00 C ATOM 477 CG GLU A 32 10.295 -27.975 -46.207 1.00 0.00 C ATOM 478 CD GLU A 32 10.215 -26.825 -45.183 1.00 0.00 C ATOM 479 OE1 GLU A 32 9.259 -26.801 -44.378 1.00 0.00 O ATOM 480 OE2 GLU A 32 11.085 -25.926 -45.190 1.00 0.00 O ATOM 0 H GLU A 32 8.477 -30.248 -46.831 1.00 0.00 H new ATOM 0 HA GLU A 32 11.344 -30.297 -47.310 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.689 -29.555 -44.866 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.426 -29.363 -45.000 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.116 -27.778 -46.896 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.379 -27.986 -46.798 1.00 0.00 H new ATOM 487 N LEU A 33 11.836 -32.589 -46.543 1.00 0.00 N ATOM 488 CA LEU A 33 12.365 -33.889 -46.061 1.00 0.00 C ATOM 489 C LEU A 33 13.396 -33.664 -44.906 1.00 0.00 C ATOM 490 O LEU A 33 13.862 -32.527 -44.723 1.00 0.00 O ATOM 491 CB LEU A 33 12.981 -34.657 -47.288 1.00 0.00 C ATOM 492 CG LEU A 33 12.003 -35.506 -48.166 1.00 0.00 C ATOM 493 CD1 LEU A 33 11.543 -36.772 -47.429 1.00 0.00 C ATOM 494 CD2 LEU A 33 10.801 -34.682 -48.642 1.00 0.00 C ATOM 0 H LEU A 33 12.279 -32.277 -47.407 1.00 0.00 H new ATOM 0 HA LEU A 33 11.567 -34.500 -45.640 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.467 -33.926 -47.934 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.761 -35.320 -46.914 1.00 0.00 H new ATOM 0 HG LEU A 33 12.559 -35.816 -49.051 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.865 -37.338 -48.067 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.410 -37.386 -47.185 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.027 -36.491 -46.511 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.147 -35.309 -49.248 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.249 -34.311 -47.778 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.151 -33.839 -49.238 1.00 0.00 H new ATOM 506 N PRO A 34 13.750 -34.726 -44.081 1.00 0.00 N ATOM 507 CA PRO A 34 14.633 -34.562 -42.886 1.00 0.00 C ATOM 508 C PRO A 34 16.047 -34.015 -43.212 1.00 0.00 C ATOM 509 O PRO A 34 16.632 -34.346 -44.253 1.00 0.00 O ATOM 510 CB PRO A 34 14.696 -35.992 -42.266 1.00 0.00 C ATOM 511 CG PRO A 34 14.319 -36.907 -43.389 1.00 0.00 C ATOM 512 CD PRO A 34 13.296 -36.145 -44.198 1.00 0.00 C ATOM 0 HA PRO A 34 14.231 -33.812 -42.205 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.694 -36.217 -41.889 1.00 0.00 H new ATOM 0 HB3 PRO A 34 14.008 -36.091 -41.426 1.00 0.00 H new ATOM 0 HG2 PRO A 34 15.188 -37.164 -43.995 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.905 -37.842 -43.012 1.00 0.00 H new ATOM 0 HD2 PRO A 34 13.277 -36.476 -45.236 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.289 -36.279 -43.802 1.00 0.00 H new ATOM 520 N ALA A 35 16.583 -33.204 -42.277 1.00 0.00 N ATOM 521 CA ALA A 35 17.834 -32.449 -42.456 1.00 0.00 C ATOM 522 C ALA A 35 18.460 -32.093 -41.092 1.00 0.00 C ATOM 523 O ALA A 35 17.766 -32.156 -40.065 1.00 0.00 O ATOM 524 CB ALA A 35 17.542 -31.154 -43.233 1.00 0.00 C ATOM 0 H ALA A 35 16.151 -33.055 -41.365 1.00 0.00 H new ATOM 0 HA ALA A 35 18.537 -33.070 -43.011 1.00 0.00 H new ATOM 0 HB1 ALA A 35 18.467 -30.593 -43.367 1.00 0.00 H new ATOM 0 HB2 ALA A 35 17.124 -31.402 -44.209 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.828 -30.548 -42.675 1.00 0.00 H new ATOM 530 N PRO A 36 19.784 -31.710 -41.061 1.00 0.00 N ATOM 531 CA PRO A 36 20.403 -31.028 -39.893 1.00 0.00 C ATOM 532 C PRO A 36 19.604 -29.778 -39.458 1.00 0.00 C ATOM 533 O PRO A 36 19.031 -29.090 -40.304 1.00 0.00 O ATOM 534 CB PRO A 36 21.807 -30.625 -40.416 1.00 0.00 C ATOM 535 CG PRO A 36 22.111 -31.640 -41.470 1.00 0.00 C ATOM 536 CD PRO A 36 20.789 -31.947 -42.137 1.00 0.00 C ATOM 0 HA PRO A 36 20.432 -31.668 -39.011 1.00 0.00 H new ATOM 0 HB2 PRO A 36 21.805 -29.615 -40.825 1.00 0.00 H new ATOM 0 HB3 PRO A 36 22.550 -30.644 -39.618 1.00 0.00 H new ATOM 0 HG2 PRO A 36 22.832 -31.253 -42.190 1.00 0.00 H new ATOM 0 HG3 PRO A 36 22.547 -32.539 -41.034 1.00 0.00 H new ATOM 0 HD2 PRO A 36 20.615 -31.300 -42.997 1.00 0.00 H new ATOM 0 HD3 PRO A 36 20.753 -32.974 -42.499 1.00 0.00 H new ATOM 544 N SER A 37 19.611 -29.485 -38.147 1.00 0.00 N ATOM 545 CA SER A 37 18.842 -28.363 -37.554 1.00 0.00 C ATOM 546 C SER A 37 19.446 -26.985 -37.929 1.00 0.00 C ATOM 547 O SER A 37 18.800 -25.945 -37.748 1.00 0.00 O ATOM 548 CB SER A 37 18.764 -28.544 -36.015 1.00 0.00 C ATOM 549 OG SER A 37 20.056 -28.712 -35.443 1.00 0.00 O ATOM 0 H SER A 37 20.149 -30.016 -37.462 1.00 0.00 H new ATOM 0 HA SER A 37 17.833 -28.382 -37.966 1.00 0.00 H new ATOM 0 HB2 SER A 37 18.278 -27.676 -35.570 1.00 0.00 H new ATOM 0 HB3 SER A 37 18.146 -29.411 -35.780 1.00 0.00 H new ATOM 0 HG SER A 37 19.972 -28.822 -34.473 1.00 0.00 H new ATOM 555 N SER A 38 20.698 -26.992 -38.432 1.00 0.00 N ATOM 556 CA SER A 38 21.358 -25.798 -38.997 1.00 0.00 C ATOM 557 C SER A 38 20.797 -25.494 -40.401 1.00 0.00 C ATOM 558 O SER A 38 20.662 -24.329 -40.795 1.00 0.00 O ATOM 559 CB SER A 38 22.893 -26.029 -39.067 1.00 0.00 C ATOM 560 OG SER A 38 23.585 -24.897 -39.583 1.00 0.00 O ATOM 0 H SER A 38 21.281 -27.829 -38.457 1.00 0.00 H new ATOM 0 HA SER A 38 21.159 -24.942 -38.352 1.00 0.00 H new ATOM 0 HB2 SER A 38 23.270 -26.260 -38.070 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.100 -26.896 -39.694 1.00 0.00 H new ATOM 0 HG SER A 38 24.546 -25.085 -39.608 1.00 0.00 H new ATOM 566 N TRP A 39 20.466 -26.562 -41.141 1.00 0.00 N ATOM 567 CA TRP A 39 20.003 -26.482 -42.543 1.00 0.00 C ATOM 568 C TRP A 39 18.511 -26.838 -42.648 1.00 0.00 C ATOM 569 O TRP A 39 17.797 -26.923 -41.640 1.00 0.00 O ATOM 570 CB TRP A 39 20.841 -27.448 -43.422 1.00 0.00 C ATOM 571 CG TRP A 39 22.225 -26.950 -43.740 1.00 0.00 C ATOM 572 CD1 TRP A 39 23.265 -26.766 -42.877 1.00 0.00 C ATOM 573 CD2 TRP A 39 22.708 -26.575 -45.032 1.00 0.00 C ATOM 574 NE1 TRP A 39 24.361 -26.299 -43.555 1.00 0.00 N ATOM 575 CE2 TRP A 39 24.042 -26.181 -44.878 1.00 0.00 C ATOM 576 CE3 TRP A 39 22.135 -26.538 -46.305 1.00 0.00 C ATOM 577 CZ2 TRP A 39 24.814 -25.761 -45.943 1.00 0.00 C ATOM 578 CZ3 TRP A 39 22.903 -26.117 -47.366 1.00 0.00 C ATOM 579 CH2 TRP A 39 24.234 -25.733 -47.182 1.00 0.00 C ATOM 0 H TRP A 39 20.511 -27.517 -40.784 1.00 0.00 H new ATOM 0 HA TRP A 39 20.135 -25.459 -42.896 1.00 0.00 H new ATOM 0 HB2 TRP A 39 20.921 -28.408 -42.912 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.308 -27.626 -44.356 1.00 0.00 H new ATOM 0 HD1 TRP A 39 23.230 -26.960 -41.815 1.00 0.00 H new ATOM 0 HE1 TRP A 39 25.266 -26.076 -43.140 1.00 0.00 H new ATOM 0 HE3 TRP A 39 21.107 -26.835 -46.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 25.843 -25.464 -45.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 22.471 -26.083 -48.355 1.00 0.00 H new ATOM 0 HH2 TRP A 39 24.815 -25.408 -48.033 1.00 0.00 H new ATOM 590 N LYS A 40 18.056 -26.998 -43.895 1.00 0.00 N ATOM 591 CA LYS A 40 16.768 -27.599 -44.218 1.00 0.00 C ATOM 592 C LYS A 40 16.899 -28.322 -45.564 1.00 0.00 C ATOM 593 O LYS A 40 17.640 -27.886 -46.442 1.00 0.00 O ATOM 594 CB LYS A 40 15.631 -26.538 -44.247 1.00 0.00 C ATOM 595 CG LYS A 40 14.185 -27.111 -44.245 1.00 0.00 C ATOM 596 CD LYS A 40 13.601 -27.370 -42.825 1.00 0.00 C ATOM 597 CE LYS A 40 14.351 -28.438 -42.014 1.00 0.00 C ATOM 598 NZ LYS A 40 13.781 -28.624 -40.661 1.00 0.00 N ATOM 0 H LYS A 40 18.584 -26.707 -44.718 1.00 0.00 H new ATOM 0 HA LYS A 40 16.494 -28.315 -43.443 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.746 -25.883 -43.383 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.757 -25.919 -45.135 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.531 -26.417 -44.773 1.00 0.00 H new ATOM 0 HG3 LYS A 40 14.176 -28.046 -44.805 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.610 -26.434 -42.266 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.558 -27.672 -42.924 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.321 -29.386 -42.551 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.400 -28.154 -41.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.321 -29.354 -40.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.833 -27.728 -40.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.788 -28.921 -40.741 1.00 0.00 H new ATOM 612 N LYS A 41 16.201 -29.446 -45.688 1.00 0.00 N ATOM 613 CA LYS A 41 16.143 -30.250 -46.907 1.00 0.00 C ATOM 614 C LYS A 41 14.728 -30.164 -47.448 1.00 0.00 C ATOM 615 O LYS A 41 13.777 -30.583 -46.802 1.00 0.00 O ATOM 616 CB LYS A 41 16.576 -31.707 -46.589 1.00 0.00 C ATOM 617 CG LYS A 41 16.180 -32.821 -47.587 1.00 0.00 C ATOM 618 CD LYS A 41 16.558 -32.537 -49.052 1.00 0.00 C ATOM 619 CE LYS A 41 16.306 -33.746 -49.964 1.00 0.00 C ATOM 620 NZ LYS A 41 14.961 -34.318 -49.798 1.00 0.00 N ATOM 0 H LYS A 41 15.646 -29.834 -44.926 1.00 0.00 H new ATOM 0 HA LYS A 41 16.829 -29.880 -47.669 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.662 -31.718 -46.491 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.165 -31.971 -45.615 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.654 -33.752 -47.278 1.00 0.00 H new ATOM 0 HG3 LYS A 41 15.103 -32.977 -47.528 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.983 -31.685 -49.415 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.610 -32.257 -49.106 1.00 0.00 H new ATOM 0 HE2 LYS A 41 16.442 -33.446 -51.003 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.050 -34.514 -49.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.698 -34.843 -50.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.957 -34.964 -48.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.276 -33.553 -49.637 1.00 0.00 H new ATOM 634 N LEU A 42 14.620 -29.573 -48.622 1.00 0.00 N ATOM 635 CA LEU A 42 13.387 -29.475 -49.384 1.00 0.00 C ATOM 636 C LEU A 42 13.525 -30.352 -50.638 1.00 0.00 C ATOM 637 O LEU A 42 14.588 -30.420 -51.266 1.00 0.00 O ATOM 638 CB LEU A 42 13.096 -27.975 -49.715 1.00 0.00 C ATOM 639 CG LEU A 42 11.871 -27.656 -50.654 1.00 0.00 C ATOM 640 CD1 LEU A 42 11.229 -26.285 -50.325 1.00 0.00 C ATOM 641 CD2 LEU A 42 12.278 -27.692 -52.138 1.00 0.00 C ATOM 0 H LEU A 42 15.413 -29.133 -49.088 1.00 0.00 H new ATOM 0 HA LEU A 42 12.533 -29.839 -48.813 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.943 -27.447 -48.774 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.990 -27.554 -50.175 1.00 0.00 H new ATOM 0 HG LEU A 42 11.130 -28.434 -50.470 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.389 -26.106 -50.996 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.876 -26.287 -49.294 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.970 -25.496 -50.453 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.411 -27.468 -52.759 1.00 0.00 H new ATOM 0 HD22 LEU A 42 13.056 -26.950 -52.320 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.656 -28.683 -52.388 1.00 0.00 H new ATOM 653 N PHE A 43 12.441 -31.041 -50.969 1.00 0.00 N ATOM 654 CA PHE A 43 12.298 -31.826 -52.193 1.00 0.00 C ATOM 655 C PHE A 43 11.030 -31.351 -52.912 1.00 0.00 C ATOM 656 O PHE A 43 10.009 -31.113 -52.270 1.00 0.00 O ATOM 657 CB PHE A 43 12.219 -33.334 -51.834 1.00 0.00 C ATOM 658 CG PHE A 43 11.857 -34.265 -52.993 1.00 0.00 C ATOM 659 CD1 PHE A 43 12.667 -34.362 -54.126 1.00 0.00 C ATOM 660 CD2 PHE A 43 10.696 -35.046 -52.948 1.00 0.00 C ATOM 661 CE1 PHE A 43 12.329 -35.204 -55.171 1.00 0.00 C ATOM 662 CE2 PHE A 43 10.363 -35.888 -53.993 1.00 0.00 C ATOM 663 CZ PHE A 43 11.176 -35.965 -55.105 1.00 0.00 C ATOM 0 H PHE A 43 11.611 -31.071 -50.377 1.00 0.00 H new ATOM 0 HA PHE A 43 13.155 -31.689 -52.852 1.00 0.00 H new ATOM 0 HB2 PHE A 43 13.182 -33.645 -51.428 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.482 -33.464 -51.042 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.569 -33.772 -54.188 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.051 -34.990 -52.084 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.967 -35.267 -56.040 1.00 0.00 H new ATOM 0 HE2 PHE A 43 9.465 -36.486 -53.939 1.00 0.00 H new ATOM 0 HZ PHE A 43 10.912 -36.619 -55.923 1.00 0.00 H new ATOM 673 N TYR A 44 11.125 -31.164 -54.232 1.00 0.00 N ATOM 674 CA TYR A 44 9.963 -30.860 -55.084 1.00 0.00 C ATOM 675 C TYR A 44 9.406 -32.175 -55.687 1.00 0.00 C ATOM 676 O TYR A 44 10.015 -32.735 -56.607 1.00 0.00 O ATOM 677 CB TYR A 44 10.351 -29.847 -56.206 1.00 0.00 C ATOM 678 CG TYR A 44 10.137 -28.366 -55.852 1.00 0.00 C ATOM 679 CD1 TYR A 44 11.174 -27.571 -55.370 1.00 0.00 C ATOM 680 CD2 TYR A 44 8.878 -27.775 -55.983 1.00 0.00 C ATOM 681 CE1 TYR A 44 10.961 -26.247 -55.024 1.00 0.00 C ATOM 682 CE2 TYR A 44 8.666 -26.455 -55.646 1.00 0.00 C ATOM 683 CZ TYR A 44 9.705 -25.697 -55.162 1.00 0.00 C ATOM 684 OH TYR A 44 9.487 -24.382 -54.805 1.00 0.00 O ATOM 0 H TYR A 44 12.006 -31.218 -54.743 1.00 0.00 H new ATOM 0 HA TYR A 44 9.186 -30.395 -54.477 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.400 -29.995 -56.461 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.771 -30.078 -57.099 1.00 0.00 H new ATOM 0 HD1 TYR A 44 12.162 -27.995 -55.264 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.053 -28.364 -56.356 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.777 -25.648 -54.647 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.685 -26.018 -55.762 1.00 0.00 H new ATOM 0 HH TYR A 44 8.548 -24.151 -54.965 1.00 0.00 H new ATOM 694 N PRO A 45 8.265 -32.722 -55.151 1.00 0.00 N ATOM 695 CA PRO A 45 7.569 -33.884 -55.752 1.00 0.00 C ATOM 696 C PRO A 45 6.647 -33.461 -56.914 1.00 0.00 C ATOM 697 O PRO A 45 6.781 -32.359 -57.465 1.00 0.00 O ATOM 698 CB PRO A 45 6.776 -34.445 -54.546 1.00 0.00 C ATOM 699 CG PRO A 45 6.385 -33.221 -53.785 1.00 0.00 C ATOM 700 CD PRO A 45 7.575 -32.283 -53.907 1.00 0.00 C ATOM 0 HA PRO A 45 8.240 -34.614 -56.204 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.903 -35.013 -54.869 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.387 -35.116 -53.941 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.483 -32.770 -54.200 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.173 -33.456 -52.742 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.256 -31.243 -53.975 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.232 -32.359 -53.040 1.00 0.00 H new ATOM 852 N GLU A 55 13.950 -30.404 -59.079 1.00 0.00 N ATOM 853 CA GLU A 55 14.946 -31.143 -58.281 1.00 0.00 C ATOM 854 C GLU A 55 14.907 -30.741 -56.780 1.00 0.00 C ATOM 855 O GLU A 55 13.993 -30.046 -56.317 1.00 0.00 O ATOM 856 CB GLU A 55 16.380 -30.929 -58.881 1.00 0.00 C ATOM 857 CG GLU A 55 16.901 -29.464 -58.893 1.00 0.00 C ATOM 858 CD GLU A 55 16.479 -28.649 -60.129 1.00 0.00 C ATOM 859 OE1 GLU A 55 17.178 -28.722 -61.161 1.00 0.00 O ATOM 860 OE2 GLU A 55 15.456 -27.930 -60.074 1.00 0.00 O ATOM 0 HA GLU A 55 14.694 -32.202 -58.331 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.084 -31.540 -58.315 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.384 -31.304 -59.905 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.542 -28.956 -57.998 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.989 -29.478 -58.836 1.00 0.00 H new ATOM 867 N VAL A 56 15.936 -31.202 -56.044 1.00 0.00 N ATOM 868 CA VAL A 56 16.110 -30.970 -54.602 1.00 0.00 C ATOM 869 C VAL A 56 16.751 -29.594 -54.349 1.00 0.00 C ATOM 870 O VAL A 56 17.660 -29.183 -55.074 1.00 0.00 O ATOM 871 CB VAL A 56 17.031 -32.096 -53.991 1.00 0.00 C ATOM 872 CG1 VAL A 56 17.489 -31.756 -52.554 1.00 0.00 C ATOM 873 CG2 VAL A 56 16.330 -33.480 -54.046 1.00 0.00 C ATOM 0 H VAL A 56 16.688 -31.760 -56.449 1.00 0.00 H new ATOM 0 HA VAL A 56 15.130 -30.995 -54.126 1.00 0.00 H new ATOM 0 HB VAL A 56 17.929 -32.147 -54.607 1.00 0.00 H new ATOM 0 HG11 VAL A 56 18.121 -32.559 -52.174 1.00 0.00 H new ATOM 0 HG12 VAL A 56 18.054 -30.824 -52.563 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.616 -31.645 -51.911 1.00 0.00 H new ATOM 0 HG21 VAL A 56 16.987 -34.238 -53.619 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.402 -33.441 -53.476 1.00 0.00 H new ATOM 0 HG23 VAL A 56 16.108 -33.735 -55.082 1.00 0.00 H new ATOM 883 N VAL A 57 16.261 -28.903 -53.304 1.00 0.00 N ATOM 884 CA VAL A 57 16.834 -27.641 -52.808 1.00 0.00 C ATOM 885 C VAL A 57 17.177 -27.797 -51.312 1.00 0.00 C ATOM 886 O VAL A 57 16.354 -28.277 -50.540 1.00 0.00 O ATOM 887 CB VAL A 57 15.827 -26.437 -52.991 1.00 0.00 C ATOM 888 CG1 VAL A 57 16.414 -25.108 -52.450 1.00 0.00 C ATOM 889 CG2 VAL A 57 15.377 -26.293 -54.470 1.00 0.00 C ATOM 0 H VAL A 57 15.445 -29.210 -52.774 1.00 0.00 H new ATOM 0 HA VAL A 57 17.732 -27.422 -53.385 1.00 0.00 H new ATOM 0 HB VAL A 57 14.942 -26.666 -52.397 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.691 -24.305 -52.595 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.632 -25.213 -51.387 1.00 0.00 H new ATOM 0 HG13 VAL A 57 17.332 -24.870 -52.987 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.685 -25.456 -54.560 1.00 0.00 H new ATOM 0 HG22 VAL A 57 16.248 -26.113 -55.100 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.881 -27.209 -54.790 1.00 0.00 H new ATOM 899 N PHE A 58 18.399 -27.418 -50.916 1.00 0.00 N ATOM 900 CA PHE A 58 18.799 -27.334 -49.498 1.00 0.00 C ATOM 901 C PHE A 58 18.782 -25.871 -49.048 1.00 0.00 C ATOM 902 O PHE A 58 19.470 -25.044 -49.623 1.00 0.00 O ATOM 903 CB PHE A 58 20.208 -27.952 -49.275 1.00 0.00 C ATOM 904 CG PHE A 58 20.191 -29.446 -48.988 1.00 0.00 C ATOM 905 CD1 PHE A 58 20.215 -30.377 -50.017 1.00 0.00 C ATOM 906 CD2 PHE A 58 20.141 -29.913 -47.673 1.00 0.00 C ATOM 907 CE1 PHE A 58 20.194 -31.728 -49.744 1.00 0.00 C ATOM 908 CE2 PHE A 58 20.118 -31.265 -47.402 1.00 0.00 C ATOM 909 CZ PHE A 58 20.145 -32.171 -48.438 1.00 0.00 C ATOM 0 H PHE A 58 19.141 -27.160 -51.567 1.00 0.00 H new ATOM 0 HA PHE A 58 18.088 -27.905 -48.901 1.00 0.00 H new ATOM 0 HB2 PHE A 58 20.818 -27.770 -50.160 1.00 0.00 H new ATOM 0 HB3 PHE A 58 20.691 -27.438 -48.444 1.00 0.00 H new ATOM 0 HD1 PHE A 58 20.250 -30.039 -51.042 1.00 0.00 H new ATOM 0 HD2 PHE A 58 20.120 -29.206 -46.857 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.216 -32.442 -50.554 1.00 0.00 H new ATOM 0 HE2 PHE A 58 20.079 -31.612 -46.380 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.128 -33.230 -48.228 1.00 0.00 H new ATOM 919 N VAL A 59 17.995 -25.565 -48.009 1.00 0.00 N ATOM 920 CA VAL A 59 17.992 -24.234 -47.378 1.00 0.00 C ATOM 921 C VAL A 59 19.171 -24.127 -46.401 1.00 0.00 C ATOM 922 O VAL A 59 19.388 -25.014 -45.570 1.00 0.00 O ATOM 923 CB VAL A 59 16.613 -23.936 -46.672 1.00 0.00 C ATOM 924 CG1 VAL A 59 16.716 -22.852 -45.562 1.00 0.00 C ATOM 925 CG2 VAL A 59 15.548 -23.542 -47.722 1.00 0.00 C ATOM 0 H VAL A 59 17.346 -26.226 -47.583 1.00 0.00 H new ATOM 0 HA VAL A 59 18.114 -23.474 -48.150 1.00 0.00 H new ATOM 0 HB VAL A 59 16.309 -24.857 -46.174 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.734 -22.694 -45.116 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.415 -23.183 -44.794 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.072 -21.918 -45.997 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.601 -23.339 -47.221 1.00 0.00 H new ATOM 0 HG22 VAL A 59 15.875 -22.649 -48.255 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.416 -24.360 -48.431 1.00 0.00 H new ATOM 935 N ALA A 60 19.924 -23.029 -46.538 1.00 0.00 N ATOM 936 CA ALA A 60 21.149 -22.763 -45.762 1.00 0.00 C ATOM 937 C ALA A 60 20.835 -21.889 -44.524 1.00 0.00 C ATOM 938 O ALA A 60 19.865 -21.120 -44.549 1.00 0.00 O ATOM 939 CB ALA A 60 22.190 -22.093 -46.676 1.00 0.00 C ATOM 0 H ALA A 60 19.699 -22.287 -47.200 1.00 0.00 H new ATOM 0 HA ALA A 60 21.559 -23.704 -45.394 1.00 0.00 H new ATOM 0 HB1 ALA A 60 23.099 -21.894 -46.108 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.422 -22.755 -47.510 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.788 -21.155 -47.059 1.00 0.00 H new ATOM 945 N PRO A 61 21.685 -21.951 -43.438 1.00 0.00 N ATOM 946 CA PRO A 61 21.444 -21.194 -42.166 1.00 0.00 C ATOM 947 C PRO A 61 21.530 -19.655 -42.317 1.00 0.00 C ATOM 948 O PRO A 61 21.208 -18.909 -41.380 1.00 0.00 O ATOM 949 CB PRO A 61 22.568 -21.727 -41.230 1.00 0.00 C ATOM 950 CG PRO A 61 23.654 -22.167 -42.164 1.00 0.00 C ATOM 951 CD PRO A 61 22.932 -22.775 -43.342 1.00 0.00 C ATOM 0 HA PRO A 61 20.432 -21.352 -41.794 1.00 0.00 H new ATOM 0 HB2 PRO A 61 22.919 -20.951 -40.550 1.00 0.00 H new ATOM 0 HB3 PRO A 61 22.214 -22.554 -40.615 1.00 0.00 H new ATOM 0 HG2 PRO A 61 24.274 -21.326 -42.473 1.00 0.00 H new ATOM 0 HG3 PRO A 61 24.314 -22.892 -41.688 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.526 -22.715 -44.254 1.00 0.00 H new ATOM 0 HD3 PRO A 61 22.707 -23.829 -43.177 1.00 0.00 H new ATOM 959 N THR A 62 21.969 -19.197 -43.496 1.00 0.00 N ATOM 960 CA THR A 62 22.212 -17.762 -43.780 1.00 0.00 C ATOM 961 C THR A 62 21.348 -17.266 -44.967 1.00 0.00 C ATOM 962 O THR A 62 21.588 -16.182 -45.506 1.00 0.00 O ATOM 963 CB THR A 62 23.742 -17.542 -44.064 1.00 0.00 C ATOM 964 OG1 THR A 62 24.055 -16.160 -44.304 1.00 0.00 O ATOM 965 CG2 THR A 62 24.217 -18.368 -45.262 1.00 0.00 C ATOM 0 H THR A 62 22.169 -19.807 -44.288 1.00 0.00 H new ATOM 0 HA THR A 62 21.921 -17.176 -42.908 1.00 0.00 H new ATOM 0 HB THR A 62 24.263 -17.872 -43.165 1.00 0.00 H new ATOM 0 HG1 THR A 62 23.353 -15.757 -44.857 1.00 0.00 H new ATOM 0 HG21 THR A 62 25.279 -18.190 -45.428 1.00 0.00 H new ATOM 0 HG22 THR A 62 24.053 -19.427 -45.062 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.657 -18.076 -46.150 1.00 0.00 H new ATOM 973 N GLY A 63 20.349 -18.080 -45.379 1.00 0.00 N ATOM 974 CA GLY A 63 19.437 -17.732 -46.488 1.00 0.00 C ATOM 975 C GLY A 63 20.007 -17.994 -47.887 1.00 0.00 C ATOM 976 O GLY A 63 19.247 -18.142 -48.853 1.00 0.00 O ATOM 0 H GLY A 63 20.155 -18.987 -44.956 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.514 -18.300 -46.374 1.00 0.00 H new ATOM 0 HA3 GLY A 63 19.175 -16.677 -46.408 1.00 0.00 H new ATOM 980 N GLU A 64 21.347 -18.038 -47.991 1.00 0.00 N ATOM 981 CA GLU A 64 22.078 -18.326 -49.234 1.00 0.00 C ATOM 982 C GLU A 64 21.940 -19.830 -49.578 1.00 0.00 C ATOM 983 O GLU A 64 22.862 -20.629 -49.365 1.00 0.00 O ATOM 984 CB GLU A 64 23.559 -17.891 -49.035 1.00 0.00 C ATOM 985 CG GLU A 64 24.509 -18.100 -50.233 1.00 0.00 C ATOM 986 CD GLU A 64 25.960 -17.671 -49.930 1.00 0.00 C ATOM 987 OE1 GLU A 64 26.594 -17.005 -50.777 1.00 0.00 O ATOM 988 OE2 GLU A 64 26.464 -17.989 -48.833 1.00 0.00 O ATOM 0 H GLU A 64 21.963 -17.871 -47.196 1.00 0.00 H new ATOM 0 HA GLU A 64 21.668 -17.770 -50.077 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.571 -16.833 -48.772 1.00 0.00 H new ATOM 0 HB3 GLU A 64 23.962 -18.436 -48.182 1.00 0.00 H new ATOM 0 HG2 GLU A 64 24.499 -19.152 -50.519 1.00 0.00 H new ATOM 0 HG3 GLU A 64 24.139 -17.533 -51.087 1.00 0.00 H new ATOM 995 N GLU A 65 20.745 -20.199 -50.071 1.00 0.00 N ATOM 996 CA GLU A 65 20.331 -21.606 -50.235 1.00 0.00 C ATOM 997 C GLU A 65 20.907 -22.221 -51.516 1.00 0.00 C ATOM 998 O GLU A 65 21.268 -21.516 -52.464 1.00 0.00 O ATOM 999 CB GLU A 65 18.787 -21.713 -50.209 1.00 0.00 C ATOM 1000 CG GLU A 65 18.058 -21.005 -51.369 1.00 0.00 C ATOM 1001 CD GLU A 65 16.526 -21.066 -51.237 1.00 0.00 C ATOM 1002 OE1 GLU A 65 15.876 -21.882 -51.922 1.00 0.00 O ATOM 1003 OE2 GLU A 65 15.959 -20.279 -50.448 1.00 0.00 O ATOM 0 H GLU A 65 20.036 -19.529 -50.368 1.00 0.00 H new ATOM 0 HA GLU A 65 20.734 -22.177 -49.399 1.00 0.00 H new ATOM 0 HB2 GLU A 65 18.512 -22.768 -50.219 1.00 0.00 H new ATOM 0 HB3 GLU A 65 18.426 -21.298 -49.268 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.373 -19.962 -51.408 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.355 -21.463 -52.312 1.00 0.00 H new ATOM 1010 N ILE A 66 20.977 -23.547 -51.513 1.00 0.00 N ATOM 1011 CA ILE A 66 21.612 -24.353 -52.553 1.00 0.00 C ATOM 1012 C ILE A 66 20.543 -25.085 -53.394 1.00 0.00 C ATOM 1013 O ILE A 66 19.576 -25.597 -52.838 1.00 0.00 O ATOM 1014 CB ILE A 66 22.558 -25.401 -51.878 1.00 0.00 C ATOM 1015 CG1 ILE A 66 23.571 -24.719 -50.894 1.00 0.00 C ATOM 1016 CG2 ILE A 66 23.273 -26.254 -52.928 1.00 0.00 C ATOM 1017 CD1 ILE A 66 24.445 -23.633 -51.498 1.00 0.00 C ATOM 0 H ILE A 66 20.580 -24.111 -50.762 1.00 0.00 H new ATOM 0 HA ILE A 66 22.187 -23.702 -53.212 1.00 0.00 H new ATOM 0 HB ILE A 66 21.937 -26.068 -51.280 1.00 0.00 H new ATOM 0 HG12 ILE A 66 23.010 -24.289 -50.064 1.00 0.00 H new ATOM 0 HG13 ILE A 66 24.218 -25.490 -50.476 1.00 0.00 H new ATOM 0 HG21 ILE A 66 23.924 -26.973 -52.431 1.00 0.00 H new ATOM 0 HG22 ILE A 66 22.535 -26.786 -53.528 1.00 0.00 H new ATOM 0 HG23 ILE A 66 23.870 -25.611 -53.574 1.00 0.00 H new ATOM 0 HD11 ILE A 66 25.107 -23.230 -50.731 1.00 0.00 H new ATOM 0 HD12 ILE A 66 25.042 -24.054 -52.307 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.815 -22.835 -51.890 1.00 0.00 H new ATOM 1029 N SER A 67 20.745 -25.154 -54.723 1.00 0.00 N ATOM 1030 CA SER A 67 19.808 -25.821 -55.663 1.00 0.00 C ATOM 1031 C SER A 67 20.369 -27.149 -56.221 1.00 0.00 C ATOM 1032 O SER A 67 19.637 -27.904 -56.873 1.00 0.00 O ATOM 1033 CB SER A 67 19.499 -24.850 -56.828 1.00 0.00 C ATOM 1034 OG SER A 67 20.685 -24.293 -57.385 1.00 0.00 O ATOM 0 H SER A 67 21.562 -24.750 -55.182 1.00 0.00 H new ATOM 0 HA SER A 67 18.900 -26.069 -55.113 1.00 0.00 H new ATOM 0 HB2 SER A 67 18.947 -25.379 -57.605 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.855 -24.047 -56.470 1.00 0.00 H new ATOM 0 HG SER A 67 21.416 -24.942 -57.315 1.00 0.00 H new ATOM 1040 N ASN A 68 21.664 -27.428 -55.969 1.00 0.00 N ATOM 1041 CA ASN A 68 22.390 -28.531 -56.650 1.00 0.00 C ATOM 1042 C ASN A 68 23.662 -28.957 -55.885 1.00 0.00 C ATOM 1043 O ASN A 68 24.190 -28.201 -55.070 1.00 0.00 O ATOM 1044 CB ASN A 68 22.746 -28.126 -58.106 1.00 0.00 C ATOM 1045 CG ASN A 68 23.487 -26.792 -58.198 1.00 0.00 C ATOM 1046 OD1 ASN A 68 23.186 -25.842 -57.479 1.00 0.00 O ATOM 1047 ND2 ASN A 68 24.475 -26.718 -59.052 1.00 0.00 N ATOM 0 H ASN A 68 22.232 -26.908 -55.300 1.00 0.00 H new ATOM 0 HA ASN A 68 21.722 -29.392 -56.669 1.00 0.00 H new ATOM 0 HB2 ASN A 68 23.361 -28.907 -58.553 1.00 0.00 H new ATOM 0 HB3 ASN A 68 21.830 -28.066 -58.694 1.00 0.00 H new ATOM 0 HD21 ASN A 68 25.016 -25.857 -59.133 1.00 0.00 H new ATOM 0 HD22 ASN A 68 24.704 -27.521 -59.637 1.00 0.00 H new ATOM 1054 N ARG A 69 24.172 -30.166 -56.221 1.00 0.00 N ATOM 1055 CA ARG A 69 25.266 -30.857 -55.484 1.00 0.00 C ATOM 1056 C ARG A 69 26.566 -30.026 -55.458 1.00 0.00 C ATOM 1057 O ARG A 69 27.243 -29.942 -54.428 1.00 0.00 O ATOM 1058 CB ARG A 69 25.561 -32.233 -56.141 1.00 0.00 C ATOM 1059 CG ARG A 69 26.459 -33.183 -55.301 1.00 0.00 C ATOM 1060 CD ARG A 69 27.299 -34.165 -56.149 1.00 0.00 C ATOM 1061 NE ARG A 69 26.512 -34.846 -57.198 1.00 0.00 N ATOM 1062 CZ ARG A 69 26.455 -36.168 -57.403 1.00 0.00 C ATOM 1063 NH1 ARG A 69 26.997 -37.023 -56.535 1.00 0.00 N ATOM 1064 NH2 ARG A 69 25.820 -36.630 -58.471 1.00 0.00 N ATOM 0 H ARG A 69 23.833 -30.699 -57.022 1.00 0.00 H new ATOM 0 HA ARG A 69 24.927 -30.990 -54.457 1.00 0.00 H new ATOM 0 HB2 ARG A 69 24.614 -32.734 -56.340 1.00 0.00 H new ATOM 0 HB3 ARG A 69 26.040 -32.063 -57.105 1.00 0.00 H new ATOM 0 HG2 ARG A 69 27.130 -32.583 -54.687 1.00 0.00 H new ATOM 0 HG3 ARG A 69 25.829 -33.754 -54.620 1.00 0.00 H new ATOM 0 HD2 ARG A 69 28.121 -33.622 -56.615 1.00 0.00 H new ATOM 0 HD3 ARG A 69 27.743 -34.914 -55.493 1.00 0.00 H new ATOM 0 HE ARG A 69 25.962 -34.256 -57.822 1.00 0.00 H new ATOM 0 HH11 ARG A 69 27.464 -36.673 -55.699 1.00 0.00 H new ATOM 0 HH12 ARG A 69 26.944 -38.027 -56.707 1.00 0.00 H new ATOM 0 HH21 ARG A 69 25.382 -35.981 -59.125 1.00 0.00 H new ATOM 0 HH22 ARG A 69 25.769 -37.635 -58.639 1.00 0.00 H new ATOM 1078 N LYS A 70 26.874 -29.411 -56.613 1.00 0.00 N ATOM 1079 CA LYS A 70 28.110 -28.628 -56.819 1.00 0.00 C ATOM 1080 C LYS A 70 28.142 -27.453 -55.834 1.00 0.00 C ATOM 1081 O LYS A 70 29.101 -27.302 -55.067 1.00 0.00 O ATOM 1082 CB LYS A 70 28.191 -28.123 -58.297 1.00 0.00 C ATOM 1083 CG LYS A 70 29.586 -27.621 -58.792 1.00 0.00 C ATOM 1084 CD LYS A 70 29.989 -26.218 -58.263 1.00 0.00 C ATOM 1085 CE LYS A 70 31.367 -25.762 -58.770 1.00 0.00 C ATOM 1086 NZ LYS A 70 32.449 -26.709 -58.383 1.00 0.00 N ATOM 0 H LYS A 70 26.271 -29.442 -57.435 1.00 0.00 H new ATOM 0 HA LYS A 70 28.977 -29.262 -56.634 1.00 0.00 H new ATOM 0 HB2 LYS A 70 27.869 -28.933 -58.951 1.00 0.00 H new ATOM 0 HB3 LYS A 70 27.474 -27.311 -58.419 1.00 0.00 H new ATOM 0 HG2 LYS A 70 30.346 -28.342 -58.490 1.00 0.00 H new ATOM 0 HG3 LYS A 70 29.584 -27.598 -59.882 1.00 0.00 H new ATOM 0 HD2 LYS A 70 29.236 -25.490 -58.567 1.00 0.00 H new ATOM 0 HD3 LYS A 70 29.995 -26.234 -57.173 1.00 0.00 H new ATOM 0 HE2 LYS A 70 31.340 -25.667 -59.856 1.00 0.00 H new ATOM 0 HE3 LYS A 70 31.591 -24.773 -58.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 33.374 -26.291 -58.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 32.396 -26.898 -57.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 32.334 -27.600 -58.907 1.00 0.00 H new ATOM 1100 N GLN A 71 27.060 -26.647 -55.858 1.00 0.00 N ATOM 1101 CA GLN A 71 26.950 -25.430 -55.032 1.00 0.00 C ATOM 1102 C GLN A 71 26.937 -25.768 -53.531 1.00 0.00 C ATOM 1103 O GLN A 71 27.331 -24.941 -52.719 1.00 0.00 O ATOM 1104 CB GLN A 71 25.702 -24.601 -55.428 1.00 0.00 C ATOM 1105 CG GLN A 71 25.724 -24.090 -56.886 1.00 0.00 C ATOM 1106 CD GLN A 71 26.900 -23.168 -57.217 1.00 0.00 C ATOM 1107 OE1 GLN A 71 27.385 -22.423 -56.372 1.00 0.00 O ATOM 1108 NE2 GLN A 71 27.358 -23.209 -58.455 1.00 0.00 N ATOM 0 H GLN A 71 26.245 -26.821 -56.446 1.00 0.00 H new ATOM 0 HA GLN A 71 27.833 -24.821 -55.223 1.00 0.00 H new ATOM 0 HB2 GLN A 71 24.811 -25.212 -55.281 1.00 0.00 H new ATOM 0 HB3 GLN A 71 25.617 -23.747 -54.756 1.00 0.00 H new ATOM 0 HG2 GLN A 71 25.751 -24.948 -57.558 1.00 0.00 H new ATOM 0 HG3 GLN A 71 24.794 -23.558 -57.085 1.00 0.00 H new ATOM 0 HE21 GLN A 71 26.933 -23.839 -59.135 1.00 0.00 H new ATOM 0 HE22 GLN A 71 28.136 -22.610 -58.731 1.00 0.00 H new ATOM 1117 N LEU A 72 26.506 -26.995 -53.195 1.00 0.00 N ATOM 1118 CA LEU A 72 26.514 -27.508 -51.810 1.00 0.00 C ATOM 1119 C LEU A 72 27.974 -27.666 -51.335 1.00 0.00 C ATOM 1120 O LEU A 72 28.352 -27.147 -50.287 1.00 0.00 O ATOM 1121 CB LEU A 72 25.739 -28.871 -51.751 1.00 0.00 C ATOM 1122 CG LEU A 72 25.135 -29.330 -50.374 1.00 0.00 C ATOM 1123 CD1 LEU A 72 26.186 -29.494 -49.276 1.00 0.00 C ATOM 1124 CD2 LEU A 72 23.999 -28.397 -49.927 1.00 0.00 C ATOM 0 H LEU A 72 26.141 -27.662 -53.875 1.00 0.00 H new ATOM 0 HA LEU A 72 26.012 -26.807 -51.144 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.922 -28.820 -52.471 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.417 -29.653 -52.093 1.00 0.00 H new ATOM 0 HG LEU A 72 24.718 -30.323 -50.541 1.00 0.00 H new ATOM 0 HD11 LEU A 72 25.701 -29.812 -48.353 1.00 0.00 H new ATOM 0 HD12 LEU A 72 26.916 -30.244 -49.580 1.00 0.00 H new ATOM 0 HD13 LEU A 72 26.691 -28.542 -49.111 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.601 -28.740 -48.972 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.383 -27.383 -49.817 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.206 -28.406 -50.674 1.00 0.00 H new ATOM 1136 N GLU A 73 28.772 -28.383 -52.139 1.00 0.00 N ATOM 1137 CA GLU A 73 30.171 -28.723 -51.811 1.00 0.00 C ATOM 1138 C GLU A 73 31.047 -27.461 -51.715 1.00 0.00 C ATOM 1139 O GLU A 73 31.750 -27.257 -50.710 1.00 0.00 O ATOM 1140 CB GLU A 73 30.725 -29.705 -52.876 1.00 0.00 C ATOM 1141 CG GLU A 73 29.972 -31.043 -52.939 1.00 0.00 C ATOM 1142 CD GLU A 73 30.435 -31.948 -54.085 1.00 0.00 C ATOM 1143 OE1 GLU A 73 29.772 -31.984 -55.139 1.00 0.00 O ATOM 1144 OE2 GLU A 73 31.482 -32.618 -53.944 1.00 0.00 O ATOM 0 H GLU A 73 28.467 -28.747 -53.041 1.00 0.00 H new ATOM 0 HA GLU A 73 30.195 -29.205 -50.833 1.00 0.00 H new ATOM 0 HB2 GLU A 73 30.680 -29.227 -53.855 1.00 0.00 H new ATOM 0 HB3 GLU A 73 31.776 -29.900 -52.664 1.00 0.00 H new ATOM 0 HG2 GLU A 73 30.103 -31.570 -51.994 1.00 0.00 H new ATOM 0 HG3 GLU A 73 28.906 -30.846 -53.049 1.00 0.00 H new ATOM 1151 N GLN A 74 30.973 -26.604 -52.751 1.00 0.00 N ATOM 1152 CA GLN A 74 31.743 -25.351 -52.800 1.00 0.00 C ATOM 1153 C GLN A 74 31.279 -24.361 -51.705 1.00 0.00 C ATOM 1154 O GLN A 74 32.059 -23.505 -51.274 1.00 0.00 O ATOM 1155 CB GLN A 74 31.735 -24.733 -54.241 1.00 0.00 C ATOM 1156 CG GLN A 74 30.382 -24.256 -54.822 1.00 0.00 C ATOM 1157 CD GLN A 74 29.941 -22.849 -54.386 1.00 0.00 C ATOM 1158 OE1 GLN A 74 29.220 -22.681 -53.411 1.00 0.00 O ATOM 1159 NE2 GLN A 74 30.406 -21.833 -55.102 1.00 0.00 N ATOM 0 H GLN A 74 30.384 -26.760 -53.569 1.00 0.00 H new ATOM 0 HA GLN A 74 32.785 -25.580 -52.576 1.00 0.00 H new ATOM 0 HB2 GLN A 74 32.417 -23.883 -54.243 1.00 0.00 H new ATOM 0 HB3 GLN A 74 32.148 -25.475 -54.924 1.00 0.00 H new ATOM 0 HG2 GLN A 74 30.444 -24.279 -55.910 1.00 0.00 H new ATOM 0 HG3 GLN A 74 29.609 -24.968 -54.532 1.00 0.00 H new ATOM 0 HE21 GLN A 74 31.005 -22.009 -55.909 1.00 0.00 H new ATOM 0 HE22 GLN A 74 30.165 -20.876 -54.846 1.00 0.00 H new ATOM 1168 N TYR A 75 30.016 -24.514 -51.237 1.00 0.00 N ATOM 1169 CA TYR A 75 29.495 -23.767 -50.076 1.00 0.00 C ATOM 1170 C TYR A 75 30.228 -24.209 -48.805 1.00 0.00 C ATOM 1171 O TYR A 75 30.741 -23.375 -48.090 1.00 0.00 O ATOM 1172 CB TYR A 75 27.960 -23.974 -49.917 1.00 0.00 C ATOM 1173 CG TYR A 75 27.289 -23.209 -48.758 1.00 0.00 C ATOM 1174 CD1 TYR A 75 26.622 -21.997 -48.967 1.00 0.00 C ATOM 1175 CD2 TYR A 75 27.313 -23.713 -47.455 1.00 0.00 C ATOM 1176 CE1 TYR A 75 26.009 -21.329 -47.922 1.00 0.00 C ATOM 1177 CE2 TYR A 75 26.710 -23.043 -46.417 1.00 0.00 C ATOM 1178 CZ TYR A 75 26.061 -21.861 -46.651 1.00 0.00 C ATOM 1179 OH TYR A 75 25.455 -21.211 -45.606 1.00 0.00 O ATOM 0 H TYR A 75 29.339 -25.154 -51.652 1.00 0.00 H new ATOM 0 HA TYR A 75 29.672 -22.704 -50.242 1.00 0.00 H new ATOM 0 HB2 TYR A 75 27.476 -23.680 -50.848 1.00 0.00 H new ATOM 0 HB3 TYR A 75 27.770 -25.039 -49.781 1.00 0.00 H new ATOM 0 HD1 TYR A 75 26.585 -21.576 -49.961 1.00 0.00 H new ATOM 0 HD2 TYR A 75 27.816 -24.649 -47.259 1.00 0.00 H new ATOM 0 HE1 TYR A 75 25.493 -20.397 -48.101 1.00 0.00 H new ATOM 0 HE2 TYR A 75 26.748 -23.449 -45.417 1.00 0.00 H new ATOM 0 HH TYR A 75 25.587 -21.723 -44.781 1.00 0.00 H new ATOM 1189 N LEU A 76 30.281 -25.527 -48.553 1.00 0.00 N ATOM 1190 CA LEU A 76 30.804 -26.092 -47.284 1.00 0.00 C ATOM 1191 C LEU A 76 32.296 -25.757 -47.058 1.00 0.00 C ATOM 1192 O LEU A 76 32.718 -25.504 -45.927 1.00 0.00 O ATOM 1193 CB LEU A 76 30.593 -27.623 -47.236 1.00 0.00 C ATOM 1194 CG LEU A 76 29.121 -28.130 -47.313 1.00 0.00 C ATOM 1195 CD1 LEU A 76 29.069 -29.664 -47.220 1.00 0.00 C ATOM 1196 CD2 LEU A 76 28.218 -27.463 -46.252 1.00 0.00 C ATOM 0 H LEU A 76 29.965 -26.234 -49.216 1.00 0.00 H new ATOM 0 HA LEU A 76 30.238 -25.625 -46.478 1.00 0.00 H new ATOM 0 HB2 LEU A 76 31.150 -28.069 -48.060 1.00 0.00 H new ATOM 0 HB3 LEU A 76 31.034 -27.998 -46.313 1.00 0.00 H new ATOM 0 HG LEU A 76 28.724 -27.837 -48.285 1.00 0.00 H new ATOM 0 HD11 LEU A 76 28.033 -29.997 -47.276 1.00 0.00 H new ATOM 0 HD12 LEU A 76 29.634 -30.098 -48.045 1.00 0.00 H new ATOM 0 HD13 LEU A 76 29.503 -29.986 -46.273 1.00 0.00 H new ATOM 0 HD21 LEU A 76 27.202 -27.848 -46.345 1.00 0.00 H new ATOM 0 HD22 LEU A 76 28.601 -27.686 -45.256 1.00 0.00 H new ATOM 0 HD23 LEU A 76 28.213 -26.384 -46.405 1.00 0.00 H new ATOM 1208 N LYS A 77 33.088 -25.766 -48.144 1.00 0.00 N ATOM 1209 CA LYS A 77 34.526 -25.422 -48.076 1.00 0.00 C ATOM 1210 C LYS A 77 34.724 -23.888 -47.938 1.00 0.00 C ATOM 1211 O LYS A 77 35.733 -23.426 -47.394 1.00 0.00 O ATOM 1212 CB LYS A 77 35.286 -26.035 -49.298 1.00 0.00 C ATOM 1213 CG LYS A 77 34.859 -25.531 -50.707 1.00 0.00 C ATOM 1214 CD LYS A 77 35.632 -24.269 -51.165 1.00 0.00 C ATOM 1215 CE LYS A 77 35.219 -23.792 -52.564 1.00 0.00 C ATOM 1216 NZ LYS A 77 35.972 -22.586 -52.979 1.00 0.00 N ATOM 0 H LYS A 77 32.761 -26.007 -49.080 1.00 0.00 H new ATOM 0 HA LYS A 77 34.961 -25.864 -47.179 1.00 0.00 H new ATOM 0 HB2 LYS A 77 36.350 -25.835 -49.173 1.00 0.00 H new ATOM 0 HB3 LYS A 77 35.159 -27.117 -49.270 1.00 0.00 H new ATOM 0 HG2 LYS A 77 35.015 -26.328 -51.434 1.00 0.00 H new ATOM 0 HG3 LYS A 77 33.791 -25.312 -50.699 1.00 0.00 H new ATOM 0 HD2 LYS A 77 35.463 -23.465 -50.448 1.00 0.00 H new ATOM 0 HD3 LYS A 77 36.701 -24.482 -51.160 1.00 0.00 H new ATOM 0 HE2 LYS A 77 35.388 -24.592 -53.285 1.00 0.00 H new ATOM 0 HE3 LYS A 77 34.151 -23.575 -52.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 35.665 -22.295 -53.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 35.791 -21.815 -52.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 36.990 -22.800 -52.995 1.00 0.00 H new ATOM 1230 N SER A 78 33.744 -23.105 -48.439 1.00 0.00 N ATOM 1231 CA SER A 78 33.738 -21.627 -48.308 1.00 0.00 C ATOM 1232 C SER A 78 33.163 -21.193 -46.939 1.00 0.00 C ATOM 1233 O SER A 78 33.510 -20.131 -46.409 1.00 0.00 O ATOM 1234 CB SER A 78 32.916 -21.003 -49.462 1.00 0.00 C ATOM 1235 OG SER A 78 32.901 -19.587 -49.401 1.00 0.00 O ATOM 0 H SER A 78 32.938 -23.475 -48.943 1.00 0.00 H new ATOM 0 HA SER A 78 34.766 -21.270 -48.367 1.00 0.00 H new ATOM 0 HB2 SER A 78 33.335 -21.320 -50.417 1.00 0.00 H new ATOM 0 HB3 SER A 78 31.893 -21.378 -49.422 1.00 0.00 H new ATOM 0 HG SER A 78 32.373 -19.233 -50.147 1.00 0.00 H new ATOM 1241 N HIS A 79 32.298 -22.046 -46.369 1.00 0.00 N ATOM 1242 CA HIS A 79 31.537 -21.762 -45.143 1.00 0.00 C ATOM 1243 C HIS A 79 31.798 -22.891 -44.131 1.00 0.00 C ATOM 1244 O HIS A 79 31.079 -23.902 -44.142 1.00 0.00 O ATOM 1245 CB HIS A 79 30.008 -21.657 -45.439 1.00 0.00 C ATOM 1246 CG HIS A 79 29.617 -20.585 -46.412 1.00 0.00 C ATOM 1247 ND1 HIS A 79 29.877 -20.668 -47.761 1.00 0.00 N ATOM 1248 CD2 HIS A 79 28.956 -19.421 -46.235 1.00 0.00 C ATOM 1249 CE1 HIS A 79 29.401 -19.603 -48.366 1.00 0.00 C ATOM 1250 NE2 HIS A 79 28.839 -18.830 -47.464 1.00 0.00 N ATOM 0 H HIS A 79 32.104 -22.970 -46.755 1.00 0.00 H new ATOM 0 HA HIS A 79 31.863 -20.805 -44.736 1.00 0.00 H new ATOM 0 HB2 HIS A 79 29.662 -22.617 -45.822 1.00 0.00 H new ATOM 0 HB3 HIS A 79 29.484 -21.481 -44.500 1.00 0.00 H new ATOM 0 HD1 HIS A 79 30.364 -21.438 -48.220 1.00 0.00 H new ATOM 0 HD2 HIS A 79 28.588 -19.029 -45.298 1.00 0.00 H new ATOM 0 HE1 HIS A 79 29.461 -19.398 -49.425 1.00 0.00 H new ATOM 0 HE2 HIS A 79 28.388 -17.934 -47.650 1.00 0.00 H new ATOM 1259 N PRO A 80 32.852 -22.764 -43.267 1.00 0.00 N ATOM 1260 CA PRO A 80 33.129 -23.759 -42.203 1.00 0.00 C ATOM 1261 C PRO A 80 32.046 -23.733 -41.102 1.00 0.00 C ATOM 1262 O PRO A 80 31.237 -22.792 -41.030 1.00 0.00 O ATOM 1263 CB PRO A 80 34.518 -23.332 -41.673 1.00 0.00 C ATOM 1264 CG PRO A 80 34.601 -21.862 -41.959 1.00 0.00 C ATOM 1265 CD PRO A 80 33.851 -21.653 -43.254 1.00 0.00 C ATOM 0 HA PRO A 80 33.118 -24.788 -42.564 1.00 0.00 H new ATOM 0 HB2 PRO A 80 34.613 -23.534 -40.606 1.00 0.00 H new ATOM 0 HB3 PRO A 80 35.318 -23.878 -42.173 1.00 0.00 H new ATOM 0 HG2 PRO A 80 34.157 -21.281 -41.151 1.00 0.00 H new ATOM 0 HG3 PRO A 80 35.638 -21.539 -42.051 1.00 0.00 H new ATOM 0 HD2 PRO A 80 33.366 -20.677 -43.283 1.00 0.00 H new ATOM 0 HD3 PRO A 80 34.517 -21.703 -44.115 1.00 0.00 H new ATOM 1273 N GLY A 81 32.017 -24.786 -40.264 1.00 0.00 N ATOM 1274 CA GLY A 81 30.992 -24.940 -39.224 1.00 0.00 C ATOM 1275 C GLY A 81 29.758 -25.701 -39.719 1.00 0.00 C ATOM 1276 O GLY A 81 29.087 -26.385 -38.935 1.00 0.00 O ATOM 0 H GLY A 81 32.698 -25.545 -40.291 1.00 0.00 H new ATOM 0 HA2 GLY A 81 31.421 -25.467 -38.372 1.00 0.00 H new ATOM 0 HA3 GLY A 81 30.689 -23.955 -38.870 1.00 0.00 H new ATOM 1280 N ASN A 82 29.470 -25.584 -41.030 1.00 0.00 N ATOM 1281 CA ASN A 82 28.339 -26.263 -41.686 1.00 0.00 C ATOM 1282 C ASN A 82 28.607 -27.784 -41.808 1.00 0.00 C ATOM 1283 O ASN A 82 29.749 -28.185 -42.054 1.00 0.00 O ATOM 1284 CB ASN A 82 28.081 -25.637 -43.085 1.00 0.00 C ATOM 1285 CG ASN A 82 27.521 -24.216 -43.006 1.00 0.00 C ATOM 1286 OD1 ASN A 82 26.308 -24.015 -43.003 1.00 0.00 O ATOM 1287 ND2 ASN A 82 28.398 -23.221 -42.930 1.00 0.00 N ATOM 0 H ASN A 82 30.022 -25.010 -41.668 1.00 0.00 H new ATOM 0 HA ASN A 82 27.448 -26.127 -41.072 1.00 0.00 H new ATOM 0 HB2 ASN A 82 29.013 -25.624 -43.649 1.00 0.00 H new ATOM 0 HB3 ASN A 82 27.383 -26.267 -43.637 1.00 0.00 H new ATOM 0 HD21 ASN A 82 28.071 -22.257 -42.867 1.00 0.00 H new ATOM 0 HD22 ASN A 82 29.398 -23.421 -42.935 1.00 0.00 H new ATOM 1294 N PRO A 83 27.562 -28.652 -41.602 1.00 0.00 N ATOM 1295 CA PRO A 83 27.703 -30.130 -41.694 1.00 0.00 C ATOM 1296 C PRO A 83 28.006 -30.618 -43.135 1.00 0.00 C ATOM 1297 O PRO A 83 27.796 -29.883 -44.107 1.00 0.00 O ATOM 1298 CB PRO A 83 26.338 -30.643 -41.167 1.00 0.00 C ATOM 1299 CG PRO A 83 25.379 -29.529 -41.430 1.00 0.00 C ATOM 1300 CD PRO A 83 26.168 -28.257 -41.253 1.00 0.00 C ATOM 0 HA PRO A 83 28.550 -30.508 -41.121 1.00 0.00 H new ATOM 0 HB2 PRO A 83 26.034 -31.555 -41.681 1.00 0.00 H new ATOM 0 HB3 PRO A 83 26.388 -30.878 -40.104 1.00 0.00 H new ATOM 0 HG2 PRO A 83 24.968 -29.597 -42.437 1.00 0.00 H new ATOM 0 HG3 PRO A 83 24.537 -29.566 -40.739 1.00 0.00 H new ATOM 0 HD2 PRO A 83 25.801 -27.465 -41.906 1.00 0.00 H new ATOM 0 HD3 PRO A 83 26.102 -27.884 -40.231 1.00 0.00 H new ATOM 1308 N ALA A 84 28.493 -31.874 -43.241 1.00 0.00 N ATOM 1309 CA ALA A 84 29.038 -32.452 -44.499 1.00 0.00 C ATOM 1310 C ALA A 84 27.926 -32.814 -45.506 1.00 0.00 C ATOM 1311 O ALA A 84 26.775 -32.964 -45.127 1.00 0.00 O ATOM 1312 CB ALA A 84 29.896 -33.690 -44.172 1.00 0.00 C ATOM 0 H ALA A 84 28.521 -32.523 -42.454 1.00 0.00 H new ATOM 0 HA ALA A 84 29.659 -31.692 -44.973 1.00 0.00 H new ATOM 0 HB1 ALA A 84 30.294 -34.111 -45.095 1.00 0.00 H new ATOM 0 HB2 ALA A 84 30.720 -33.400 -43.521 1.00 0.00 H new ATOM 0 HB3 ALA A 84 29.281 -34.436 -43.668 1.00 0.00 H new ATOM 1318 N ILE A 85 28.289 -32.969 -46.799 1.00 0.00 N ATOM 1319 CA ILE A 85 27.318 -33.332 -47.861 1.00 0.00 C ATOM 1320 C ILE A 85 26.999 -34.850 -47.833 1.00 0.00 C ATOM 1321 O ILE A 85 25.953 -35.289 -48.336 1.00 0.00 O ATOM 1322 CB ILE A 85 27.815 -32.886 -49.298 1.00 0.00 C ATOM 1323 CG1 ILE A 85 26.695 -33.120 -50.371 1.00 0.00 C ATOM 1324 CG2 ILE A 85 29.144 -33.575 -49.697 1.00 0.00 C ATOM 1325 CD1 ILE A 85 27.019 -32.638 -51.767 1.00 0.00 C ATOM 0 H ILE A 85 29.245 -32.849 -47.134 1.00 0.00 H new ATOM 0 HA ILE A 85 26.398 -32.786 -47.652 1.00 0.00 H new ATOM 0 HB ILE A 85 28.022 -31.817 -49.256 1.00 0.00 H new ATOM 0 HG12 ILE A 85 26.476 -34.187 -50.416 1.00 0.00 H new ATOM 0 HG13 ILE A 85 25.785 -32.622 -50.036 1.00 0.00 H new ATOM 0 HG21 ILE A 85 29.445 -33.238 -50.689 1.00 0.00 H new ATOM 0 HG22 ILE A 85 29.919 -33.316 -48.975 1.00 0.00 H new ATOM 0 HG23 ILE A 85 29.005 -34.656 -49.708 1.00 0.00 H new ATOM 0 HD11 ILE A 85 26.179 -32.848 -52.429 1.00 0.00 H new ATOM 0 HD12 ILE A 85 27.205 -31.564 -51.747 1.00 0.00 H new ATOM 0 HD13 ILE A 85 27.907 -33.154 -52.133 1.00 0.00 H new ATOM 1337 N ALA A 86 27.892 -35.639 -47.204 1.00 0.00 N ATOM 1338 CA ALA A 86 27.719 -37.099 -47.049 1.00 0.00 C ATOM 1339 C ALA A 86 26.460 -37.442 -46.226 1.00 0.00 C ATOM 1340 O ALA A 86 25.747 -38.404 -46.529 1.00 0.00 O ATOM 1341 CB ALA A 86 28.971 -37.707 -46.403 1.00 0.00 C ATOM 0 H ALA A 86 28.753 -35.284 -46.789 1.00 0.00 H new ATOM 0 HA ALA A 86 27.583 -37.530 -48.041 1.00 0.00 H new ATOM 0 HB1 ALA A 86 28.837 -38.783 -46.292 1.00 0.00 H new ATOM 0 HB2 ALA A 86 29.837 -37.513 -47.035 1.00 0.00 H new ATOM 0 HB3 ALA A 86 29.129 -37.258 -45.423 1.00 0.00 H new ATOM 1347 N GLU A 87 26.191 -36.629 -45.187 1.00 0.00 N ATOM 1348 CA GLU A 87 25.017 -36.803 -44.302 1.00 0.00 C ATOM 1349 C GLU A 87 23.751 -36.149 -44.904 1.00 0.00 C ATOM 1350 O GLU A 87 22.645 -36.334 -44.383 1.00 0.00 O ATOM 1351 CB GLU A 87 25.323 -36.212 -42.908 1.00 0.00 C ATOM 1352 CG GLU A 87 25.622 -34.712 -42.916 1.00 0.00 C ATOM 1353 CD GLU A 87 26.020 -34.178 -41.547 1.00 0.00 C ATOM 1354 OE1 GLU A 87 27.233 -34.009 -41.290 1.00 0.00 O ATOM 1355 OE2 GLU A 87 25.126 -33.942 -40.702 1.00 0.00 O ATOM 0 H GLU A 87 26.778 -35.834 -44.935 1.00 0.00 H new ATOM 0 HA GLU A 87 24.817 -37.870 -44.204 1.00 0.00 H new ATOM 0 HB2 GLU A 87 24.473 -36.398 -42.252 1.00 0.00 H new ATOM 0 HB3 GLU A 87 26.176 -36.739 -42.481 1.00 0.00 H new ATOM 0 HG2 GLU A 87 26.424 -34.511 -43.626 1.00 0.00 H new ATOM 0 HG3 GLU A 87 24.742 -34.174 -43.268 1.00 0.00 H new ATOM 1362 N PHE A 88 23.935 -35.374 -45.986 1.00 0.00 N ATOM 1363 CA PHE A 88 22.832 -34.716 -46.710 1.00 0.00 C ATOM 1364 C PHE A 88 22.183 -35.701 -47.696 1.00 0.00 C ATOM 1365 O PHE A 88 22.877 -36.369 -48.478 1.00 0.00 O ATOM 1366 CB PHE A 88 23.338 -33.447 -47.462 1.00 0.00 C ATOM 1367 CG PHE A 88 23.631 -32.224 -46.586 1.00 0.00 C ATOM 1368 CD1 PHE A 88 23.718 -30.959 -47.154 1.00 0.00 C ATOM 1369 CD2 PHE A 88 23.811 -32.329 -45.210 1.00 0.00 C ATOM 1370 CE1 PHE A 88 23.977 -29.844 -46.377 1.00 0.00 C ATOM 1371 CE2 PHE A 88 24.071 -31.219 -44.441 1.00 0.00 C ATOM 1372 CZ PHE A 88 24.154 -29.976 -45.023 1.00 0.00 C ATOM 0 H PHE A 88 24.855 -35.185 -46.385 1.00 0.00 H new ATOM 0 HA PHE A 88 22.084 -34.402 -45.982 1.00 0.00 H new ATOM 0 HB2 PHE A 88 24.247 -33.708 -48.004 1.00 0.00 H new ATOM 0 HB3 PHE A 88 22.592 -33.167 -48.206 1.00 0.00 H new ATOM 0 HD1 PHE A 88 23.581 -30.844 -48.219 1.00 0.00 H new ATOM 0 HD2 PHE A 88 23.745 -33.298 -44.738 1.00 0.00 H new ATOM 0 HE1 PHE A 88 24.040 -28.869 -46.837 1.00 0.00 H new ATOM 0 HE2 PHE A 88 24.211 -31.324 -43.375 1.00 0.00 H new ATOM 0 HZ PHE A 88 24.358 -29.106 -44.416 1.00 0.00 H new ATOM 1382 N ASP A 89 20.847 -35.791 -47.625 1.00 0.00 N ATOM 1383 CA ASP A 89 20.034 -36.634 -48.513 1.00 0.00 C ATOM 1384 C ASP A 89 19.729 -35.890 -49.824 1.00 0.00 C ATOM 1385 O ASP A 89 19.231 -34.772 -49.802 1.00 0.00 O ATOM 1386 CB ASP A 89 18.707 -37.064 -47.803 1.00 0.00 C ATOM 1387 CG ASP A 89 17.624 -37.537 -48.783 1.00 0.00 C ATOM 1388 OD1 ASP A 89 16.621 -36.808 -48.976 1.00 0.00 O ATOM 1389 OD2 ASP A 89 17.787 -38.628 -49.372 1.00 0.00 O ATOM 0 H ASP A 89 20.294 -35.274 -46.941 1.00 0.00 H new ATOM 0 HA ASP A 89 20.601 -37.534 -48.749 1.00 0.00 H new ATOM 0 HB2 ASP A 89 18.924 -37.865 -47.096 1.00 0.00 H new ATOM 0 HB3 ASP A 89 18.323 -36.224 -47.225 1.00 0.00 H new ATOM 1394 N TRP A 90 20.060 -36.524 -50.951 1.00 0.00 N ATOM 1395 CA TRP A 90 19.626 -36.095 -52.299 1.00 0.00 C ATOM 1396 C TRP A 90 18.774 -37.209 -52.943 1.00 0.00 C ATOM 1397 O TRP A 90 18.090 -36.978 -53.942 1.00 0.00 O ATOM 1398 CB TRP A 90 20.860 -35.785 -53.195 1.00 0.00 C ATOM 1399 CG TRP A 90 21.737 -34.659 -52.686 1.00 0.00 C ATOM 1400 CD1 TRP A 90 22.781 -34.755 -51.805 1.00 0.00 C ATOM 1401 CD2 TRP A 90 21.629 -33.263 -53.023 1.00 0.00 C ATOM 1402 NE1 TRP A 90 23.328 -33.519 -51.587 1.00 0.00 N ATOM 1403 CE2 TRP A 90 22.640 -32.590 -52.324 1.00 0.00 C ATOM 1404 CE3 TRP A 90 20.782 -32.517 -53.855 1.00 0.00 C ATOM 1405 CZ2 TRP A 90 22.825 -31.217 -52.423 1.00 0.00 C ATOM 1406 CZ3 TRP A 90 20.970 -31.151 -53.948 1.00 0.00 C ATOM 1407 CH2 TRP A 90 21.986 -30.514 -53.239 1.00 0.00 C ATOM 0 H TRP A 90 20.644 -37.360 -50.962 1.00 0.00 H new ATOM 0 HA TRP A 90 19.029 -35.187 -52.207 1.00 0.00 H new ATOM 0 HB2 TRP A 90 21.464 -36.688 -53.285 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.512 -35.534 -54.197 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.123 -35.672 -51.349 1.00 0.00 H new ATOM 0 HE1 TRP A 90 24.120 -33.321 -50.975 1.00 0.00 H new ATOM 0 HE3 TRP A 90 19.995 -33.002 -54.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 23.609 -30.720 -51.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 20.318 -30.567 -54.581 1.00 0.00 H new ATOM 0 HH2 TRP A 90 22.112 -29.446 -53.337 1.00 0.00 H new ATOM 1418 N THR A 91 18.788 -38.402 -52.310 1.00 0.00 N ATOM 1419 CA THR A 91 18.341 -39.673 -52.916 1.00 0.00 C ATOM 1420 C THR A 91 16.933 -40.108 -52.420 1.00 0.00 C ATOM 1421 O THR A 91 16.507 -41.244 -52.680 1.00 0.00 O ATOM 1422 CB THR A 91 19.419 -40.791 -52.631 1.00 0.00 C ATOM 1423 OG1 THR A 91 19.102 -42.011 -53.332 1.00 0.00 O ATOM 1424 CG2 THR A 91 19.564 -41.087 -51.130 1.00 0.00 C ATOM 0 H THR A 91 19.115 -38.510 -51.350 1.00 0.00 H new ATOM 0 HA THR A 91 18.247 -39.522 -53.991 1.00 0.00 H new ATOM 0 HB THR A 91 20.370 -40.402 -52.996 1.00 0.00 H new ATOM 0 HG1 THR A 91 18.137 -42.177 -53.281 1.00 0.00 H new ATOM 0 HG21 THR A 91 20.316 -41.862 -50.983 1.00 0.00 H new ATOM 0 HG22 THR A 91 19.870 -40.180 -50.608 1.00 0.00 H new ATOM 0 HG23 THR A 91 18.608 -41.429 -50.733 1.00 0.00 H new