USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 267 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 37 ASN : amide:sc= 0.956 K(o=0.89,f=-0.0036) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.062 X(o=0.89,f=1) USER MOD Single : A 29 GLN : amide:sc= 0.787 K(o=0.79,f=-0.0022) USER MOD Single : A 33 TYR OH : rot 17:sc= 0.253 USER MOD Single : A 35 THR OG1 : rot -67:sc= 0.234 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.84 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 437 N GLN A 29 -14.242 31.085 -29.563 1.00 0.00 N ATOM 438 CA GLN A 29 -14.149 32.366 -28.860 1.00 0.00 C ATOM 439 C GLN A 29 -14.076 32.081 -27.357 1.00 0.00 C ATOM 440 O GLN A 29 -15.044 31.637 -26.746 1.00 0.00 O ATOM 441 CB GLN A 29 -15.390 33.239 -29.131 1.00 0.00 C ATOM 442 CG GLN A 29 -15.711 33.485 -30.617 1.00 0.00 C ATOM 443 CD GLN A 29 -17.111 33.001 -30.970 1.00 0.00 C ATOM 444 OE1 GLN A 29 -17.947 33.725 -31.492 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.401 31.750 -30.684 1.00 0.00 N ATOM 0 HA GLN A 29 -13.265 32.899 -29.210 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.254 32.768 -28.663 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.249 34.203 -28.642 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.626 34.549 -30.838 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.979 32.970 -31.239 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.700 31.151 -30.249 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.327 31.379 -30.898 1.00 0.00 H new ATOM 454 N ILE A 30 -12.928 32.325 -26.746 1.00 0.00 N ATOM 455 CA ILE A 30 -12.740 32.196 -25.296 1.00 0.00 C ATOM 456 C ILE A 30 -13.138 33.527 -24.644 1.00 0.00 C ATOM 457 O ILE A 30 -12.409 34.516 -24.755 1.00 0.00 O ATOM 458 CB ILE A 30 -11.291 31.791 -24.938 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.686 30.701 -25.852 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.247 31.366 -23.460 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.472 29.393 -25.960 1.00 0.00 C ATOM 0 H ILE A 30 -12.087 32.622 -27.241 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.374 31.396 -24.914 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.663 32.666 -25.106 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.575 31.117 -26.853 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.684 30.469 -25.491 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.230 31.078 -23.194 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.564 32.199 -22.832 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.916 30.520 -23.305 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.949 28.708 -26.628 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.561 28.940 -24.973 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.466 29.598 -26.357 1.00 0.00 H new ATOM 473 N ALA A 31 -14.294 33.562 -23.982 1.00 0.00 N ATOM 474 CA ALA A 31 -14.741 34.696 -23.172 1.00 0.00 C ATOM 475 C ALA A 31 -14.419 34.476 -21.684 1.00 0.00 C ATOM 476 O ALA A 31 -14.210 33.346 -21.236 1.00 0.00 O ATOM 477 CB ALA A 31 -16.237 34.921 -23.425 1.00 0.00 C ATOM 0 H ALA A 31 -14.959 32.789 -23.994 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.202 35.598 -23.463 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.584 35.764 -22.827 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.399 35.134 -24.482 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.792 34.025 -23.146 1.00 0.00 H new ATOM 483 N ARG A 32 -14.407 35.556 -20.902 1.00 0.00 N ATOM 484 CA ARG A 32 -14.244 35.546 -19.439 1.00 0.00 C ATOM 485 C ARG A 32 -15.500 36.064 -18.745 1.00 0.00 C ATOM 486 O ARG A 32 -16.198 36.923 -19.288 1.00 0.00 O ATOM 487 CB ARG A 32 -12.987 36.353 -19.054 1.00 0.00 C ATOM 488 CG ARG A 32 -11.759 35.432 -19.050 1.00 0.00 C ATOM 489 CD ARG A 32 -10.428 36.182 -19.167 1.00 0.00 C ATOM 490 NE ARG A 32 -9.283 35.262 -18.993 1.00 0.00 N ATOM 491 CZ ARG A 32 -8.018 35.576 -18.792 1.00 0.00 C ATOM 492 NH1 ARG A 32 -7.581 36.798 -18.849 1.00 0.00 N ATOM 493 NH2 ARG A 32 -7.156 34.636 -18.533 1.00 0.00 N ATOM 0 H ARG A 32 -14.514 36.498 -21.279 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.103 34.520 -19.098 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.838 37.170 -19.760 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.119 36.802 -18.070 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.757 34.847 -18.130 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.842 34.726 -19.876 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.364 36.667 -20.141 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.383 36.970 -18.415 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.497 34.266 -19.033 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.225 37.561 -19.056 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.593 36.995 -18.687 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.460 33.664 -18.487 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.176 34.872 -18.377 1.00 0.00 H new ATOM 507 N TYR A 33 -15.757 35.575 -17.530 1.00 0.00 N ATOM 508 CA TYR A 33 -16.864 36.015 -16.677 1.00 0.00 C ATOM 509 C TYR A 33 -16.452 36.071 -15.194 1.00 0.00 C ATOM 510 O TYR A 33 -15.694 35.221 -14.723 1.00 0.00 O ATOM 511 CB TYR A 33 -18.069 35.088 -16.836 1.00 0.00 C ATOM 512 CG TYR A 33 -18.677 34.992 -18.216 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.076 34.191 -19.205 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.878 35.665 -18.492 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.698 34.041 -20.455 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.496 35.528 -19.744 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.934 34.673 -20.709 1.00 0.00 C ATOM 518 OH TYR A 33 -20.623 34.403 -21.845 1.00 0.00 O ATOM 0 H TYR A 33 -15.188 34.845 -17.102 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.135 37.021 -16.997 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.771 34.087 -16.526 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.845 35.418 -16.145 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.139 33.693 -19.003 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.328 36.292 -17.736 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.230 33.442 -21.222 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.399 36.077 -19.966 1.00 0.00 H new ATOM 0 HH TYR A 33 -20.284 33.575 -22.244 1.00 0.00 H new ATOM 528 N ARG A 34 -16.969 37.061 -14.453 1.00 0.00 N ATOM 529 CA ARG A 34 -16.714 37.312 -13.024 1.00 0.00 C ATOM 530 C ARG A 34 -17.949 37.013 -12.175 1.00 0.00 C ATOM 531 O ARG A 34 -19.020 37.558 -12.435 1.00 0.00 O ATOM 532 CB ARG A 34 -16.235 38.765 -12.853 1.00 0.00 C ATOM 533 CG ARG A 34 -15.830 39.059 -11.399 1.00 0.00 C ATOM 534 CD ARG A 34 -14.805 40.193 -11.297 1.00 0.00 C ATOM 535 NE ARG A 34 -15.315 41.489 -11.784 1.00 0.00 N ATOM 536 CZ ARG A 34 -14.681 42.355 -12.559 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.534 42.109 -13.130 1.00 0.00 N ATOM 538 NH2 ARG A 34 -15.212 43.522 -12.790 1.00 0.00 N ATOM 0 H ARG A 34 -17.610 37.745 -14.854 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.933 36.639 -12.670 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.387 38.949 -13.512 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.028 39.448 -13.156 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.717 39.322 -10.823 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.415 38.156 -10.950 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.495 40.300 -10.258 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -13.917 39.923 -11.868 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.258 41.745 -11.492 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.077 41.208 -12.989 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.094 42.818 -13.717 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.111 43.764 -12.375 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.728 44.193 -13.386 1.00 0.00 H new ATOM 552 N THR A 35 -17.798 36.153 -11.171 1.00 0.00 N ATOM 553 CA THR A 35 -18.875 35.700 -10.270 1.00 0.00 C ATOM 554 C THR A 35 -19.178 36.730 -9.185 1.00 0.00 C ATOM 555 O THR A 35 -18.508 37.759 -9.062 1.00 0.00 O ATOM 556 CB THR A 35 -18.547 34.367 -9.589 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.425 34.524 -8.773 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.295 33.234 -10.564 1.00 0.00 C ATOM 0 H THR A 35 -16.895 35.733 -10.948 1.00 0.00 H new ATOM 0 HA THR A 35 -19.749 35.569 -10.908 1.00 0.00 H new ATOM 0 HB THR A 35 -19.425 34.094 -9.004 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.638 34.700 -9.330 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.069 32.322 -10.011 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.183 33.077 -11.176 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.452 33.487 -11.206 1.00 0.00 H new ATOM 566 N ASP A 36 -20.162 36.430 -8.336 1.00 0.00 N ATOM 567 CA ASP A 36 -20.596 37.337 -7.278 1.00 0.00 C ATOM 568 C ASP A 36 -19.596 37.459 -6.112 1.00 0.00 C ATOM 569 O ASP A 36 -19.658 38.441 -5.367 1.00 0.00 O ATOM 570 CB ASP A 36 -21.996 36.917 -6.807 1.00 0.00 C ATOM 571 CG ASP A 36 -22.649 37.962 -5.883 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.940 39.088 -6.354 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.913 37.648 -4.697 1.00 0.00 O ATOM 0 H ASP A 36 -20.679 35.551 -8.364 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.639 38.343 -7.695 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.634 36.756 -7.676 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.928 35.965 -6.281 1.00 0.00 H new ATOM 578 N ASN A 37 -18.627 36.536 -5.981 1.00 0.00 N ATOM 579 CA ASN A 37 -17.530 36.695 -5.012 1.00 0.00 C ATOM 580 C ASN A 37 -16.294 37.407 -5.617 1.00 0.00 C ATOM 581 O ASN A 37 -15.257 37.520 -4.959 1.00 0.00 O ATOM 582 CB ASN A 37 -17.143 35.358 -4.366 1.00 0.00 C ATOM 583 CG ASN A 37 -18.276 34.400 -4.050 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.355 34.756 -3.596 1.00 0.00 O ATOM 585 ND2 ASN A 37 -18.030 33.130 -4.263 1.00 0.00 N ATOM 0 H ASN A 37 -18.581 35.678 -6.530 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.912 37.346 -4.226 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.443 34.850 -5.029 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.608 35.570 -3.440 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.741 32.430 -4.050 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.128 32.842 -4.642 1.00 0.00 H new ATOM 592 N GLY A 38 -16.368 37.833 -6.885 1.00 0.00 N ATOM 593 CA GLY A 38 -15.228 38.302 -7.683 1.00 0.00 C ATOM 594 C GLY A 38 -14.381 37.190 -8.295 1.00 0.00 C ATOM 595 O GLY A 38 -13.289 37.472 -8.789 1.00 0.00 O ATOM 0 H GLY A 38 -17.249 37.862 -7.399 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.600 38.940 -8.484 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.590 38.921 -7.052 1.00 0.00 H new ATOM 599 N GLU A 39 -14.824 35.934 -8.246 1.00 0.00 N ATOM 600 CA GLU A 39 -14.076 34.803 -8.815 1.00 0.00 C ATOM 601 C GLU A 39 -14.224 34.832 -10.342 1.00 0.00 C ATOM 602 O GLU A 39 -15.340 34.772 -10.855 1.00 0.00 O ATOM 603 CB GLU A 39 -14.544 33.451 -8.236 1.00 0.00 C ATOM 604 CG GLU A 39 -14.921 33.517 -6.750 1.00 0.00 C ATOM 605 CD GLU A 39 -14.710 32.231 -5.931 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.743 31.467 -6.169 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.515 32.019 -4.990 1.00 0.00 O ATOM 0 H GLU A 39 -15.708 35.668 -7.813 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.025 34.905 -8.545 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.405 33.100 -8.805 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.752 32.714 -8.369 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.342 34.316 -6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.971 33.800 -6.676 1.00 0.00 H new ATOM 614 N GLU A 40 -13.121 34.947 -11.074 1.00 0.00 N ATOM 615 CA GLU A 40 -13.121 35.060 -12.541 1.00 0.00 C ATOM 616 C GLU A 40 -12.740 33.735 -13.217 1.00 0.00 C ATOM 617 O GLU A 40 -11.719 33.122 -12.890 1.00 0.00 O ATOM 618 CB GLU A 40 -12.143 36.161 -12.981 1.00 0.00 C ATOM 619 CG GLU A 40 -12.682 37.555 -12.650 1.00 0.00 C ATOM 620 CD GLU A 40 -11.642 38.672 -12.870 1.00 0.00 C ATOM 621 OE1 GLU A 40 -10.466 38.502 -12.467 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.025 39.755 -13.372 1.00 0.00 O ATOM 0 H GLU A 40 -12.186 34.965 -10.667 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.134 35.316 -12.851 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.182 36.014 -12.487 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.965 36.084 -14.054 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.558 37.755 -13.267 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.012 37.573 -11.611 1.00 0.00 H new ATOM 629 N PHE A 41 -13.554 33.317 -14.191 1.00 0.00 N ATOM 630 CA PHE A 41 -13.386 32.088 -14.975 1.00 0.00 C ATOM 631 C PHE A 41 -13.460 32.347 -16.482 1.00 0.00 C ATOM 632 O PHE A 41 -13.953 33.384 -16.930 1.00 0.00 O ATOM 633 CB PHE A 41 -14.449 31.061 -14.558 1.00 0.00 C ATOM 634 CG PHE A 41 -14.311 30.592 -13.124 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.927 31.298 -12.074 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.521 29.462 -12.836 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.740 30.873 -10.754 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.330 29.045 -11.508 1.00 0.00 C ATOM 639 CZ PHE A 41 -13.937 29.757 -10.462 1.00 0.00 C ATOM 0 H PHE A 41 -14.381 33.846 -14.466 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.391 31.695 -14.767 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.438 31.499 -14.695 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.388 30.198 -15.221 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.540 32.162 -12.286 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.059 28.912 -13.642 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.219 31.410 -9.949 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.719 28.181 -11.293 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.788 29.449 -9.438 1.00 0.00 H new ATOM 649 N GLU A 42 -12.999 31.374 -17.269 1.00 0.00 N ATOM 650 CA GLU A 42 -13.065 31.397 -18.733 1.00 0.00 C ATOM 651 C GLU A 42 -14.067 30.369 -19.274 1.00 0.00 C ATOM 652 O GLU A 42 -14.116 29.222 -18.816 1.00 0.00 O ATOM 653 CB GLU A 42 -11.689 31.168 -19.380 1.00 0.00 C ATOM 654 CG GLU A 42 -10.617 32.185 -18.960 1.00 0.00 C ATOM 655 CD GLU A 42 -9.284 31.580 -18.493 1.00 0.00 C ATOM 656 OE1 GLU A 42 -9.255 30.648 -17.657 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.242 32.109 -18.958 1.00 0.00 O ATOM 0 H GLU A 42 -12.560 30.530 -16.900 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.408 32.396 -19.003 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.343 30.166 -19.125 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.800 31.201 -20.464 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.420 32.849 -19.802 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.019 32.801 -18.155 1.00 0.00 H new ATOM 664 N VAL A 43 -14.830 30.776 -20.288 1.00 0.00 N ATOM 665 CA VAL A 43 -15.824 29.957 -21.000 1.00 0.00 C ATOM 666 C VAL A 43 -15.550 29.977 -22.519 1.00 0.00 C ATOM 667 O VAL A 43 -15.744 31.014 -23.162 1.00 0.00 O ATOM 668 CB VAL A 43 -17.259 30.429 -20.699 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.281 29.473 -21.322 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.558 30.536 -19.196 1.00 0.00 C ATOM 0 H VAL A 43 -14.774 31.726 -20.655 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.732 28.931 -20.643 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.340 31.425 -21.134 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.289 29.822 -21.099 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.138 29.442 -22.402 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.144 28.474 -20.909 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.585 30.873 -19.052 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.428 29.560 -18.729 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.874 31.251 -18.739 1.00 0.00 H new ATOM 680 N PRO A 44 -15.097 28.859 -23.117 1.00 0.00 N ATOM 681 CA PRO A 44 -15.009 28.676 -24.563 1.00 0.00 C ATOM 682 C PRO A 44 -16.396 28.577 -25.223 1.00 0.00 C ATOM 683 O PRO A 44 -17.243 27.776 -24.819 1.00 0.00 O ATOM 684 CB PRO A 44 -14.203 27.390 -24.787 1.00 0.00 C ATOM 685 CG PRO A 44 -13.508 27.130 -23.453 1.00 0.00 C ATOM 686 CD PRO A 44 -14.473 27.738 -22.444 1.00 0.00 C ATOM 0 HA PRO A 44 -14.526 29.538 -25.024 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.852 26.559 -25.064 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.480 27.512 -25.593 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.357 26.065 -23.277 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.527 27.603 -23.410 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.218 27.008 -22.128 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.946 28.065 -21.547 1.00 0.00 H new ATOM 694 N PHE A 45 -16.597 29.364 -26.276 1.00 0.00 N ATOM 695 CA PHE A 45 -17.765 29.339 -27.174 1.00 0.00 C ATOM 696 C PHE A 45 -17.363 28.960 -28.600 1.00 0.00 C ATOM 697 O PHE A 45 -16.346 29.430 -29.097 1.00 0.00 O ATOM 698 CB PHE A 45 -18.442 30.713 -27.189 1.00 0.00 C ATOM 699 CG PHE A 45 -19.288 30.986 -25.963 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.677 31.431 -24.779 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.682 30.804 -26.002 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.450 31.676 -23.635 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.460 31.065 -24.858 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.840 31.484 -23.666 1.00 0.00 C ATOM 0 H PHE A 45 -15.919 30.076 -26.547 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.458 28.586 -26.798 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.677 31.485 -27.271 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.069 30.790 -28.077 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.608 31.585 -24.750 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.156 30.464 -26.911 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.974 32.014 -22.726 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.533 30.944 -24.895 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.431 31.657 -22.779 1.00 0.00 H new ATOM 714 N ALA A 46 -18.177 28.185 -29.307 1.00 0.00 N ATOM 715 CA ALA A 46 -17.914 27.792 -30.695 1.00 0.00 C ATOM 716 C ALA A 46 -18.371 28.880 -31.683 1.00 0.00 C ATOM 717 O ALA A 46 -19.238 29.692 -31.360 1.00 0.00 O ATOM 718 CB ALA A 46 -18.600 26.446 -30.963 1.00 0.00 C ATOM 0 H ALA A 46 -19.047 27.806 -28.934 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.841 27.678 -30.846 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.413 26.141 -31.993 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.202 25.693 -30.283 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.674 26.547 -30.804 1.00 0.00 H new ATOM 724 N ASP A 47 -17.837 28.884 -32.905 1.00 0.00 N ATOM 725 CA ASP A 47 -18.221 29.826 -33.976 1.00 0.00 C ATOM 726 C ASP A 47 -19.714 29.728 -34.382 1.00 0.00 C ATOM 727 O ASP A 47 -20.280 30.675 -34.929 1.00 0.00 O ATOM 728 CB ASP A 47 -17.295 29.589 -35.177 1.00 0.00 C ATOM 729 CG ASP A 47 -17.543 30.579 -36.329 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.206 31.778 -36.179 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.034 30.152 -37.402 1.00 0.00 O ATOM 0 H ASP A 47 -17.113 28.225 -33.191 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.103 30.841 -33.597 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.258 29.671 -34.851 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.435 28.572 -35.542 1.00 0.00 H new ATOM 736 N ASP A 48 -20.373 28.606 -34.071 1.00 0.00 N ATOM 737 CA ASP A 48 -21.826 28.409 -34.223 1.00 0.00 C ATOM 738 C ASP A 48 -22.664 29.164 -33.160 1.00 0.00 C ATOM 739 O ASP A 48 -23.883 29.296 -33.298 1.00 0.00 O ATOM 740 CB ASP A 48 -22.098 26.899 -34.173 1.00 0.00 C ATOM 741 CG ASP A 48 -23.543 26.534 -34.557 1.00 0.00 C ATOM 742 OD1 ASP A 48 -23.946 26.787 -35.719 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.267 25.947 -33.716 1.00 0.00 O ATOM 0 H ASP A 48 -19.900 27.784 -33.695 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.137 28.831 -35.178 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.409 26.389 -34.847 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.891 26.531 -33.168 1.00 0.00 H new ATOM 748 N ALA A 49 -22.013 29.669 -32.107 1.00 0.00 N ATOM 749 CA ALA A 49 -22.592 30.370 -30.960 1.00 0.00 C ATOM 750 C ALA A 49 -22.088 31.826 -30.833 1.00 0.00 C ATOM 751 O ALA A 49 -21.190 32.272 -31.551 1.00 0.00 O ATOM 752 CB ALA A 49 -22.269 29.549 -29.700 1.00 0.00 C ATOM 0 H ALA A 49 -20.999 29.593 -32.030 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.670 30.452 -31.096 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.688 30.046 -28.825 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.702 28.553 -29.794 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.188 29.466 -29.587 1.00 0.00 H new ATOM 758 N GLU A 50 -22.659 32.565 -29.881 1.00 0.00 N ATOM 759 CA GLU A 50 -22.237 33.907 -29.453 1.00 0.00 C ATOM 760 C GLU A 50 -22.176 34.009 -27.916 1.00 0.00 C ATOM 761 O GLU A 50 -22.717 33.151 -27.220 1.00 0.00 O ATOM 762 CB GLU A 50 -23.171 34.964 -30.069 1.00 0.00 C ATOM 763 CG GLU A 50 -24.609 34.933 -29.528 1.00 0.00 C ATOM 764 CD GLU A 50 -25.493 35.964 -30.257 1.00 0.00 C ATOM 765 OE1 GLU A 50 -25.520 37.149 -29.844 1.00 0.00 O ATOM 766 OE2 GLU A 50 -26.174 35.597 -31.247 1.00 0.00 O ATOM 0 H GLU A 50 -23.469 32.231 -29.359 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.226 34.096 -29.815 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.749 35.953 -29.889 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.199 34.821 -31.149 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -25.028 33.935 -29.654 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.604 35.144 -28.459 1.00 0.00 H new ATOM 773 N ILE A 51 -21.525 35.054 -27.391 1.00 0.00 N ATOM 774 CA ILE A 51 -21.317 35.339 -25.967 1.00 0.00 C ATOM 775 C ILE A 51 -22.514 36.136 -25.416 1.00 0.00 C ATOM 776 O ILE A 51 -22.693 37.308 -25.771 1.00 0.00 O ATOM 777 CB ILE A 51 -20.005 36.122 -25.713 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.841 35.702 -26.640 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.588 36.020 -24.234 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.383 34.247 -26.528 1.00 0.00 C ATOM 0 H ILE A 51 -21.104 35.767 -27.986 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.234 34.383 -25.449 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.223 37.162 -25.956 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.139 35.889 -27.672 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.987 36.347 -26.433 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.664 36.577 -24.077 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.374 36.437 -23.605 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.430 34.974 -23.972 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.563 34.069 -27.224 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.045 34.049 -25.511 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.214 33.584 -26.769 1.00 0.00 H new ATOM 792 N PRO A 52 -23.349 35.533 -24.561 1.00 0.00 N ATOM 793 CA PRO A 52 -24.369 36.237 -23.800 1.00 0.00 C ATOM 794 C PRO A 52 -23.730 37.142 -22.733 1.00 0.00 C ATOM 795 O PRO A 52 -22.628 36.884 -22.248 1.00 0.00 O ATOM 796 CB PRO A 52 -25.242 35.133 -23.195 1.00 0.00 C ATOM 797 CG PRO A 52 -24.308 33.931 -23.088 1.00 0.00 C ATOM 798 CD PRO A 52 -23.308 34.130 -24.214 1.00 0.00 C ATOM 0 HA PRO A 52 -24.966 36.909 -24.417 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.631 35.423 -22.219 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.102 34.914 -23.828 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.813 33.898 -22.118 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.852 32.993 -23.201 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.306 33.838 -23.898 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.564 33.511 -25.074 1.00 0.00 H new ATOM 806 N GLY A 53 -24.437 38.205 -22.342 1.00 0.00 N ATOM 807 CA GLY A 53 -24.015 39.152 -21.295 1.00 0.00 C ATOM 808 C GLY A 53 -23.567 38.504 -19.974 1.00 0.00 C ATOM 809 O GLY A 53 -22.692 39.042 -19.290 1.00 0.00 O ATOM 0 H GLY A 53 -25.341 38.441 -22.751 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.195 39.756 -21.682 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.841 39.832 -21.087 1.00 0.00 H new ATOM 813 N THR A 54 -24.119 37.337 -19.623 1.00 0.00 N ATOM 814 CA THR A 54 -23.696 36.539 -18.462 1.00 0.00 C ATOM 815 C THR A 54 -23.735 35.023 -18.734 1.00 0.00 C ATOM 816 O THR A 54 -24.424 34.563 -19.650 1.00 0.00 O ATOM 817 CB THR A 54 -24.609 36.806 -17.246 1.00 0.00 C ATOM 818 OG1 THR A 54 -25.951 36.468 -17.541 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.665 38.273 -16.831 1.00 0.00 C ATOM 0 H THR A 54 -24.885 36.912 -20.145 1.00 0.00 H new ATOM 0 HA THR A 54 -22.669 36.844 -18.260 1.00 0.00 H new ATOM 0 HB THR A 54 -24.176 36.201 -16.449 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.512 36.643 -16.757 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.325 38.383 -15.971 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.664 38.615 -16.566 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.045 38.871 -17.659 1.00 0.00 H new ATOM 827 N TRP A 55 -23.003 34.235 -17.935 1.00 0.00 N ATOM 828 CA TRP A 55 -22.904 32.769 -18.047 1.00 0.00 C ATOM 829 C TRP A 55 -22.485 32.109 -16.719 1.00 0.00 C ATOM 830 O TRP A 55 -21.724 32.685 -15.941 1.00 0.00 O ATOM 831 CB TRP A 55 -21.891 32.422 -19.143 1.00 0.00 C ATOM 832 CG TRP A 55 -21.887 30.995 -19.582 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.083 30.034 -19.087 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.689 30.345 -20.613 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.290 28.852 -19.762 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.277 28.981 -20.717 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.712 30.777 -21.481 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.842 28.097 -21.649 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.291 29.900 -22.419 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.857 28.563 -22.505 1.00 0.00 C ATOM 0 H TRP A 55 -22.445 34.610 -17.168 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.891 32.381 -18.301 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.090 33.051 -20.011 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.893 32.678 -18.786 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.379 30.171 -18.279 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.778 27.989 -19.579 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -24.058 31.799 -21.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.503 27.073 -21.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.072 30.255 -23.076 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.303 27.896 -23.228 1.00 0.00 H new ATOM 851 N LEU A 56 -22.951 30.886 -16.446 1.00 0.00 N ATOM 852 CA LEU A 56 -22.617 30.143 -15.225 1.00 0.00 C ATOM 853 C LEU A 56 -21.139 29.704 -15.216 1.00 0.00 C ATOM 854 O LEU A 56 -20.668 29.020 -16.126 1.00 0.00 O ATOM 855 CB LEU A 56 -23.577 28.947 -15.078 1.00 0.00 C ATOM 856 CG LEU A 56 -24.173 28.793 -13.670 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.285 27.746 -13.683 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.128 28.345 -12.652 1.00 0.00 C ATOM 0 H LEU A 56 -23.577 30.379 -17.072 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.744 30.798 -14.363 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.390 29.057 -15.796 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.044 28.032 -15.338 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.557 29.772 -13.383 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.701 27.644 -12.681 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.070 28.058 -14.372 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.879 26.788 -14.006 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.593 28.249 -11.671 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.716 27.382 -12.954 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.328 29.083 -12.603 1.00 0.00 H new ATOM 870 N CYS A 57 -20.410 30.092 -14.173 1.00 0.00 N ATOM 871 CA CYS A 57 -18.981 29.821 -14.009 1.00 0.00 C ATOM 872 C CYS A 57 -18.706 28.530 -13.231 1.00 0.00 C ATOM 873 O CYS A 57 -19.576 27.984 -12.547 1.00 0.00 O ATOM 874 CB CYS A 57 -18.320 31.023 -13.330 1.00 0.00 C ATOM 875 SG CYS A 57 -18.268 32.396 -14.497 1.00 0.00 S ATOM 0 H CYS A 57 -20.807 30.619 -13.395 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.551 29.670 -14.999 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.879 31.307 -12.438 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.312 30.765 -13.006 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.710 33.425 -13.932 1.00 0.00 H new ATOM 881 N ARG A 58 -17.448 28.072 -13.284 1.00 0.00 N ATOM 882 CA ARG A 58 -17.005 26.786 -12.712 1.00 0.00 C ATOM 883 C ARG A 58 -17.062 26.737 -11.176 1.00 0.00 C ATOM 884 O ARG A 58 -17.064 25.651 -10.597 1.00 0.00 O ATOM 885 CB ARG A 58 -15.598 26.420 -13.234 1.00 0.00 C ATOM 886 CG ARG A 58 -15.399 26.656 -14.745 1.00 0.00 C ATOM 887 CD ARG A 58 -14.016 26.189 -15.215 1.00 0.00 C ATOM 888 NE ARG A 58 -13.714 26.693 -16.572 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.727 26.306 -17.360 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.898 25.356 -17.030 1.00 0.00 N ATOM 891 NH2 ARG A 58 -12.556 26.886 -18.511 1.00 0.00 N ATOM 0 H ARG A 58 -16.694 28.591 -13.733 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.719 26.036 -13.052 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.857 27.003 -12.687 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.403 25.370 -13.014 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.171 26.124 -15.301 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.520 27.716 -14.967 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.255 26.538 -14.517 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.977 25.100 -15.212 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.333 27.416 -16.938 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.998 24.881 -16.133 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.149 25.088 -17.669 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.183 27.636 -18.802 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.795 26.591 -19.123 1.00 0.00 H new ATOM 905 N ASN A 59 -17.178 27.898 -10.520 1.00 0.00 N ATOM 906 CA ASN A 59 -17.450 28.032 -9.082 1.00 0.00 C ATOM 907 C ASN A 59 -18.885 27.593 -8.684 1.00 0.00 C ATOM 908 O ASN A 59 -19.170 27.343 -7.513 1.00 0.00 O ATOM 909 CB ASN A 59 -17.207 29.510 -8.727 1.00 0.00 C ATOM 910 CG ASN A 59 -17.425 29.910 -7.274 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.206 29.156 -6.337 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.812 31.147 -7.048 1.00 0.00 N ATOM 0 H ASN A 59 -17.082 28.799 -10.989 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.790 27.367 -8.524 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.182 29.761 -8.999 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.860 30.121 -9.350 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.930 31.478 -6.090 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.994 31.775 -7.831 1.00 0.00 H new ATOM 919 N GLY A 60 -19.797 27.492 -9.657 1.00 0.00 N ATOM 920 CA GLY A 60 -21.226 27.230 -9.442 1.00 0.00 C ATOM 921 C GLY A 60 -22.066 28.504 -9.270 1.00 0.00 C ATOM 922 O GLY A 60 -23.217 28.422 -8.837 1.00 0.00 O ATOM 0 H GLY A 60 -19.556 27.593 -10.643 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.614 26.661 -10.287 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.343 26.605 -8.556 1.00 0.00 H new ATOM 926 N MET A 61 -21.501 29.677 -9.590 1.00 0.00 N ATOM 927 CA MET A 61 -22.150 30.988 -9.518 1.00 0.00 C ATOM 928 C MET A 61 -22.307 31.608 -10.913 1.00 0.00 C ATOM 929 O MET A 61 -21.472 31.406 -11.795 1.00 0.00 O ATOM 930 CB MET A 61 -21.330 31.883 -8.573 1.00 0.00 C ATOM 931 CG MET A 61 -22.015 33.208 -8.207 1.00 0.00 C ATOM 932 SD MET A 61 -23.688 33.092 -7.510 1.00 0.00 S ATOM 933 CE MET A 61 -23.314 32.374 -5.886 1.00 0.00 C ATOM 0 H MET A 61 -20.538 29.737 -9.920 1.00 0.00 H new ATOM 0 HA MET A 61 -23.160 30.883 -9.121 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.121 31.330 -7.657 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.369 32.101 -9.040 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.383 33.732 -7.490 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.061 33.827 -9.103 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.240 32.237 -5.327 1.00 0.00 H new ATOM 0 HE2 MET A 61 -22.824 31.409 -6.019 1.00 0.00 H new ATOM 0 HE3 MET A 61 -22.653 33.044 -5.336 1.00 0.00 H new ATOM 943 N GLU A 62 -23.364 32.394 -11.117 1.00 0.00 N ATOM 944 CA GLU A 62 -23.592 33.154 -12.350 1.00 0.00 C ATOM 945 C GLU A 62 -22.535 34.260 -12.503 1.00 0.00 C ATOM 946 O GLU A 62 -22.508 35.228 -11.738 1.00 0.00 O ATOM 947 CB GLU A 62 -25.018 33.728 -12.377 1.00 0.00 C ATOM 948 CG GLU A 62 -26.079 32.625 -12.490 1.00 0.00 C ATOM 949 CD GLU A 62 -27.497 33.226 -12.561 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.130 33.431 -11.497 1.00 0.00 O ATOM 951 OE2 GLU A 62 -27.994 33.491 -13.683 1.00 0.00 O ATOM 0 H GLU A 62 -24.098 32.524 -10.421 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.493 32.479 -13.200 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.193 34.308 -11.471 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.117 34.414 -13.218 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.890 32.024 -13.379 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.006 31.956 -11.632 1.00 0.00 H new ATOM 958 N GLY A 63 -21.635 34.093 -13.474 1.00 0.00 N ATOM 959 CA GLY A 63 -20.619 35.079 -13.834 1.00 0.00 C ATOM 960 C GLY A 63 -21.129 36.106 -14.848 1.00 0.00 C ATOM 961 O GLY A 63 -21.922 35.775 -15.730 1.00 0.00 O ATOM 0 H GLY A 63 -21.593 33.248 -14.044 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.285 35.597 -12.935 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.751 34.566 -14.247 1.00 0.00 H new ATOM 965 N THR A 64 -20.633 37.341 -14.776 1.00 0.00 N ATOM 966 CA THR A 64 -20.911 38.399 -15.763 1.00 0.00 C ATOM 967 C THR A 64 -19.703 38.668 -16.651 1.00 0.00 C ATOM 968 O THR A 64 -18.577 38.691 -16.162 1.00 0.00 O ATOM 969 CB THR A 64 -21.354 39.702 -15.079 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.497 39.471 -14.281 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.718 40.814 -16.070 1.00 0.00 C ATOM 0 H THR A 64 -20.017 37.645 -14.022 1.00 0.00 H new ATOM 0 HA THR A 64 -21.727 38.038 -16.389 1.00 0.00 H new ATOM 0 HB THR A 64 -20.499 40.025 -14.485 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.769 40.308 -13.849 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.022 41.705 -15.521 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.852 41.047 -16.690 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.539 40.481 -16.705 1.00 0.00 H new ATOM 979 N LEU A 65 -19.937 38.843 -17.953 1.00 0.00 N ATOM 980 CA LEU A 65 -18.911 39.017 -18.984 1.00 0.00 C ATOM 981 C LEU A 65 -18.049 40.268 -18.695 1.00 0.00 C ATOM 982 O LEU A 65 -18.582 41.376 -18.588 1.00 0.00 O ATOM 983 CB LEU A 65 -19.654 39.065 -20.336 1.00 0.00 C ATOM 984 CG LEU A 65 -18.847 38.859 -21.635 1.00 0.00 C ATOM 985 CD1 LEU A 65 -19.752 39.202 -22.821 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.571 39.685 -21.779 1.00 0.00 C ATOM 0 H LEU A 65 -20.883 38.868 -18.333 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.198 38.193 -19.001 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.436 38.307 -20.310 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.150 40.033 -20.406 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.524 37.818 -21.603 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.201 39.063 -23.751 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.624 38.548 -22.815 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.076 40.240 -22.743 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.093 39.453 -22.731 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -17.819 40.746 -21.746 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -16.889 39.446 -20.963 1.00 0.00 H new