USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 581 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 Single : A 35 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.25) USER MOD Single : A 41 CYS SG : rot 18:sc= 0.554 USER MOD Single : A 43 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.27) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -154:sc= -3.03 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 51:sc= 0.312 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.57 USER MOD Single : A 57 GLN : amide:sc= -0.115 K(o=-0.11,f=-1.7!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.157 K(o=-0.16,f=-6.2!) USER MOD Single : A 74 THR OG1 : rot 32:sc= 0.17 USER MOD Single : A 82 THR OG1 : rot 180:sc=-0.00624 USER MOD Single : A 86 SER OG : rot 180:sc= -0.175 USER MOD Single : A 91 GLN : amide:sc= -0.068 X(o=-0.068,f=-0.37) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -137:sc= -0.161 (180deg=-1.35) USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN :FLIP amide:sc= -2.88! C(o=-5.1!,f=-2.9!) USER MOD Single : A 107 SER OG : rot 180:sc= -0.102 USER MOD ----------------------------------------------------------------- ATOM 525 N GLN A 35 6.788 -10.424 -1.859 1.00 0.00 N ATOM 526 CA GLN A 35 5.846 -9.267 -1.779 1.00 0.00 C ATOM 527 C GLN A 35 4.476 -9.739 -1.283 1.00 0.00 C ATOM 528 O GLN A 35 4.001 -10.792 -1.659 1.00 0.00 O ATOM 529 CB GLN A 35 5.745 -8.732 -3.209 1.00 0.00 C ATOM 530 CG GLN A 35 4.979 -7.407 -3.207 1.00 0.00 C ATOM 531 CD GLN A 35 5.075 -6.760 -4.589 1.00 0.00 C ATOM 532 OE1 GLN A 35 5.294 -5.570 -4.701 1.00 0.00 O ATOM 533 NE2 GLN A 35 4.918 -7.497 -5.655 1.00 0.00 N ATOM 0 HA GLN A 35 6.191 -8.501 -1.085 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.742 -8.587 -3.625 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.236 -9.457 -3.845 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.935 -7.579 -2.946 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.390 -6.738 -2.451 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.734 -8.496 -5.562 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.979 -7.074 -6.581 1.00 0.00 H new ATOM 542 N ARG A 36 3.841 -8.970 -0.439 1.00 0.00 N ATOM 543 CA ARG A 36 2.503 -9.377 0.082 1.00 0.00 C ATOM 544 C ARG A 36 1.579 -8.156 0.188 1.00 0.00 C ATOM 545 O ARG A 36 1.980 -7.121 0.684 1.00 0.00 O ATOM 546 CB ARG A 36 2.782 -9.957 1.469 1.00 0.00 C ATOM 547 CG ARG A 36 1.689 -10.963 1.833 1.00 0.00 C ATOM 548 CD ARG A 36 1.921 -12.268 1.068 1.00 0.00 C ATOM 549 NE ARG A 36 0.560 -12.729 0.668 1.00 0.00 N ATOM 550 CZ ARG A 36 0.406 -13.904 0.122 1.00 0.00 C ATOM 551 NH1 ARG A 36 1.215 -14.294 -0.824 1.00 0.00 N ATOM 552 NH2 ARG A 36 -0.560 -14.687 0.521 1.00 0.00 N ATOM 0 H ARG A 36 4.190 -8.078 -0.088 1.00 0.00 H new ATOM 0 HA ARG A 36 2.006 -10.094 -0.571 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.757 -10.444 1.481 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.815 -9.157 2.209 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.697 -11.152 2.906 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.708 -10.555 1.588 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.555 -12.107 0.196 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.420 -13.008 1.693 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.249 -12.127 0.821 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.968 -13.681 -1.137 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.095 -15.212 -1.251 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.194 -14.380 1.259 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.681 -15.606 0.095 1.00 0.00 H new ATOM 566 N PRO A 37 0.362 -8.312 -0.278 1.00 0.00 N ATOM 567 CA PRO A 37 -0.617 -7.199 -0.222 1.00 0.00 C ATOM 568 C PRO A 37 -1.108 -6.998 1.215 1.00 0.00 C ATOM 569 O PRO A 37 -1.963 -7.717 1.694 1.00 0.00 O ATOM 570 CB PRO A 37 -1.753 -7.671 -1.125 1.00 0.00 C ATOM 571 CG PRO A 37 -1.658 -9.163 -1.119 1.00 0.00 C ATOM 572 CD PRO A 37 -0.211 -9.518 -0.892 1.00 0.00 C ATOM 0 HA PRO A 37 -0.200 -6.243 -0.540 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.720 -7.336 -0.750 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.646 -7.273 -2.134 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.285 -9.585 -0.334 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.011 -9.575 -2.065 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.111 -10.384 -0.238 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.290 -9.766 -1.828 1.00 0.00 H new ATOM 580 N PHE A 38 -0.570 -6.029 1.905 1.00 0.00 N ATOM 581 CA PHE A 38 -1.001 -5.783 3.313 1.00 0.00 C ATOM 582 C PHE A 38 -2.175 -4.802 3.349 1.00 0.00 C ATOM 583 O PHE A 38 -2.008 -3.614 3.154 1.00 0.00 O ATOM 584 CB PHE A 38 0.221 -5.174 3.999 1.00 0.00 C ATOM 585 CG PHE A 38 1.219 -6.263 4.313 1.00 0.00 C ATOM 586 CD1 PHE A 38 0.959 -7.176 5.342 1.00 0.00 C ATOM 587 CD2 PHE A 38 2.402 -6.359 3.572 1.00 0.00 C ATOM 588 CE1 PHE A 38 1.885 -8.185 5.631 1.00 0.00 C ATOM 589 CE2 PHE A 38 3.328 -7.371 3.861 1.00 0.00 C ATOM 590 CZ PHE A 38 3.070 -8.283 4.891 1.00 0.00 C ATOM 0 H PHE A 38 0.150 -5.396 1.555 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.336 -6.696 3.804 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.677 -4.424 3.353 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.079 -4.666 4.916 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.045 -7.102 5.912 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.601 -5.654 2.778 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.685 -8.889 6.426 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.241 -7.447 3.289 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.784 -9.062 5.115 1.00 0.00 H new ATOM 600 N ARG A 39 -3.361 -5.290 3.598 1.00 0.00 N ATOM 601 CA ARG A 39 -4.543 -4.380 3.650 1.00 0.00 C ATOM 602 C ARG A 39 -4.384 -3.371 4.792 1.00 0.00 C ATOM 603 O ARG A 39 -4.558 -3.696 5.952 1.00 0.00 O ATOM 604 CB ARG A 39 -5.741 -5.295 3.912 1.00 0.00 C ATOM 605 CG ARG A 39 -7.039 -4.511 3.713 1.00 0.00 C ATOM 606 CD ARG A 39 -8.237 -5.437 3.930 1.00 0.00 C ATOM 607 NE ARG A 39 -8.227 -5.740 5.389 1.00 0.00 N ATOM 608 CZ ARG A 39 -8.465 -6.954 5.805 1.00 0.00 C ATOM 609 NH1 ARG A 39 -7.519 -7.852 5.770 1.00 0.00 N ATOM 610 NH2 ARG A 39 -9.648 -7.269 6.254 1.00 0.00 N ATOM 0 H ARG A 39 -3.562 -6.276 3.767 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.661 -3.807 2.730 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.713 -6.150 3.236 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.695 -5.690 4.927 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.081 -3.675 4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.070 -4.089 2.709 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.168 -4.955 3.633 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.146 -6.347 3.337 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.034 -4.999 6.063 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.594 -7.605 5.418 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.704 -8.801 6.095 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.387 -6.567 6.280 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.834 -8.218 6.579 1.00 0.00 H new ATOM 624 N VAL A 40 -4.058 -2.147 4.469 1.00 0.00 N ATOM 625 CA VAL A 40 -3.891 -1.108 5.527 1.00 0.00 C ATOM 626 C VAL A 40 -5.138 -0.223 5.579 1.00 0.00 C ATOM 627 O VAL A 40 -5.822 -0.045 4.589 1.00 0.00 O ATOM 628 CB VAL A 40 -2.667 -0.294 5.095 1.00 0.00 C ATOM 629 CG1 VAL A 40 -2.346 0.750 6.165 1.00 0.00 C ATOM 630 CG2 VAL A 40 -1.464 -1.226 4.923 1.00 0.00 C ATOM 0 H VAL A 40 -3.900 -1.822 3.515 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.758 -1.537 6.520 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.881 0.203 4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.475 1.329 5.858 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.199 1.416 6.291 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.134 0.249 7.110 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.595 -0.645 4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.252 -1.724 5.869 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.688 -1.973 4.162 1.00 0.00 H new ATOM 640 N CYS A 41 -5.446 0.331 6.722 1.00 0.00 N ATOM 641 CA CYS A 41 -6.658 1.197 6.823 1.00 0.00 C ATOM 642 C CYS A 41 -6.381 2.421 7.700 1.00 0.00 C ATOM 643 O CYS A 41 -5.407 2.473 8.426 1.00 0.00 O ATOM 644 CB CYS A 41 -7.733 0.310 7.456 1.00 0.00 C ATOM 645 SG CYS A 41 -7.171 -0.281 9.075 1.00 0.00 S ATOM 0 H CYS A 41 -4.914 0.222 7.586 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.966 1.579 5.849 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.661 0.871 7.566 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.948 -0.537 6.805 1.00 0.00 H new ATOM 0 HG CYS A 41 -6.191 0.464 9.493 1.00 0.00 H new ATOM 651 N ASP A 42 -7.237 3.405 7.637 1.00 0.00 N ATOM 652 CA ASP A 42 -7.046 4.631 8.462 1.00 0.00 C ATOM 653 C ASP A 42 -7.975 4.595 9.676 1.00 0.00 C ATOM 654 O ASP A 42 -8.753 3.675 9.841 1.00 0.00 O ATOM 655 CB ASP A 42 -7.406 5.792 7.540 1.00 0.00 C ATOM 656 CG ASP A 42 -6.600 7.030 7.939 1.00 0.00 C ATOM 657 OD1 ASP A 42 -6.814 7.526 9.034 1.00 0.00 O ATOM 658 OD2 ASP A 42 -5.783 7.462 7.144 1.00 0.00 O ATOM 0 H ASP A 42 -8.067 3.411 7.044 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.029 4.720 8.843 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.195 5.526 6.504 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.473 6.004 7.604 1.00 0.00 H new ATOM 663 N HIS A 43 -7.885 5.582 10.536 1.00 0.00 N ATOM 664 CA HIS A 43 -8.744 5.619 11.763 1.00 0.00 C ATOM 665 C HIS A 43 -10.146 5.036 11.500 1.00 0.00 C ATOM 666 O HIS A 43 -10.384 3.867 11.738 1.00 0.00 O ATOM 667 CB HIS A 43 -8.829 7.104 12.132 1.00 0.00 C ATOM 668 CG HIS A 43 -9.703 7.275 13.344 1.00 0.00 C ATOM 669 ND1 HIS A 43 -9.653 6.400 14.418 1.00 0.00 N ATOM 670 CD2 HIS A 43 -10.654 8.211 13.665 1.00 0.00 C ATOM 671 CE1 HIS A 43 -10.550 6.824 15.328 1.00 0.00 C ATOM 672 NE2 HIS A 43 -11.188 7.925 14.919 1.00 0.00 N ATOM 0 H HIS A 43 -7.246 6.371 10.439 1.00 0.00 H new ATOM 0 HA HIS A 43 -8.324 5.013 12.565 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.832 7.497 12.332 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.234 7.674 11.296 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.944 9.043 13.040 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.732 6.334 16.273 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -11.911 8.444 15.418 1.00 0.00 H new ATOM 680 N LYS A 44 -11.080 5.826 11.025 1.00 0.00 N ATOM 681 CA LYS A 44 -12.447 5.277 10.778 1.00 0.00 C ATOM 682 C LYS A 44 -12.588 4.770 9.335 1.00 0.00 C ATOM 683 O LYS A 44 -12.680 3.582 9.096 1.00 0.00 O ATOM 684 CB LYS A 44 -13.387 6.461 11.027 1.00 0.00 C ATOM 685 CG LYS A 44 -14.831 6.052 10.726 1.00 0.00 C ATOM 686 CD LYS A 44 -15.297 5.003 11.740 1.00 0.00 C ATOM 687 CE LYS A 44 -15.460 3.650 11.043 1.00 0.00 C ATOM 688 NZ LYS A 44 -16.799 3.711 10.392 1.00 0.00 N ATOM 0 H LYS A 44 -10.956 6.813 10.801 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.668 4.425 11.421 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.302 6.793 12.062 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.100 7.303 10.398 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.482 6.925 10.768 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.901 5.650 9.715 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.574 4.920 12.551 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.243 5.309 12.186 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.671 3.487 10.309 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.405 2.829 11.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.983 2.817 9.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.531 3.860 11.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.819 4.498 9.712 1.00 0.00 H new ATOM 702 N ARG A 45 -12.605 5.658 8.376 1.00 0.00 N ATOM 703 CA ARG A 45 -12.741 5.217 6.954 1.00 0.00 C ATOM 704 C ARG A 45 -12.117 6.239 5.995 1.00 0.00 C ATOM 705 O ARG A 45 -12.381 6.222 4.810 1.00 0.00 O ATOM 706 CB ARG A 45 -14.247 5.115 6.715 1.00 0.00 C ATOM 707 CG ARG A 45 -14.514 4.143 5.563 1.00 0.00 C ATOM 708 CD ARG A 45 -16.017 3.873 5.456 1.00 0.00 C ATOM 709 NE ARG A 45 -16.472 4.692 4.299 1.00 0.00 N ATOM 710 CZ ARG A 45 -17.537 4.339 3.629 1.00 0.00 C ATOM 711 NH1 ARG A 45 -18.670 4.162 4.252 1.00 0.00 N ATOM 712 NH2 ARG A 45 -17.467 4.166 2.339 1.00 0.00 N ATOM 0 H ARG A 45 -12.531 6.666 8.514 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.226 4.273 6.775 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.747 4.770 7.620 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.656 6.097 6.479 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.142 4.561 4.628 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -13.978 3.209 5.730 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.218 2.814 5.294 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.536 4.159 6.371 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.953 5.528 4.030 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.724 4.299 5.261 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -19.502 3.886 3.730 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -16.581 4.306 1.853 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -18.298 3.890 1.816 1.00 0.00 H new ATOM 726 N THR A 46 -11.309 7.137 6.491 1.00 0.00 N ATOM 727 CA THR A 46 -10.695 8.161 5.597 1.00 0.00 C ATOM 728 C THR A 46 -9.899 7.493 4.469 1.00 0.00 C ATOM 729 O THR A 46 -10.033 7.846 3.313 1.00 0.00 O ATOM 730 CB THR A 46 -9.771 8.978 6.500 1.00 0.00 C ATOM 731 OG1 THR A 46 -9.025 8.098 7.329 1.00 0.00 O ATOM 732 CG2 THR A 46 -10.606 9.917 7.376 1.00 0.00 C ATOM 0 H THR A 46 -11.048 7.206 7.475 1.00 0.00 H new ATOM 0 HA THR A 46 -11.449 8.783 5.115 1.00 0.00 H new ATOM 0 HB THR A 46 -9.091 9.567 5.885 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.764 8.565 8.150 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.945 10.498 8.019 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.181 10.592 6.741 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.287 9.330 7.992 1.00 0.00 H new ATOM 740 N ILE A 47 -9.069 6.539 4.793 1.00 0.00 N ATOM 741 CA ILE A 47 -8.262 5.859 3.734 1.00 0.00 C ATOM 742 C ILE A 47 -8.164 4.355 4.014 1.00 0.00 C ATOM 743 O ILE A 47 -7.670 3.935 5.042 1.00 0.00 O ATOM 744 CB ILE A 47 -6.876 6.505 3.810 1.00 0.00 C ATOM 745 CG1 ILE A 47 -7.002 8.019 3.589 1.00 0.00 C ATOM 746 CG2 ILE A 47 -5.973 5.906 2.728 1.00 0.00 C ATOM 747 CD1 ILE A 47 -5.630 8.679 3.745 1.00 0.00 C ATOM 0 H ILE A 47 -8.913 6.200 5.742 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.712 5.968 2.747 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.442 6.316 4.792 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.402 8.219 2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.704 8.444 4.306 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.986 6.366 2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.882 4.831 2.884 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.408 6.094 1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.723 9.754 3.587 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.248 8.491 4.748 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.941 8.263 3.010 1.00 0.00 H new ATOM 759 N ARG A 48 -8.625 3.541 3.101 1.00 0.00 N ATOM 760 CA ARG A 48 -8.555 2.064 3.305 1.00 0.00 C ATOM 761 C ARG A 48 -8.195 1.362 1.992 1.00 0.00 C ATOM 762 O ARG A 48 -9.051 1.082 1.175 1.00 0.00 O ATOM 763 CB ARG A 48 -9.956 1.656 3.762 1.00 0.00 C ATOM 764 CG ARG A 48 -9.941 0.195 4.217 1.00 0.00 C ATOM 765 CD ARG A 48 -11.373 -0.340 4.264 1.00 0.00 C ATOM 766 NE ARG A 48 -11.871 0.015 5.624 1.00 0.00 N ATOM 767 CZ ARG A 48 -12.550 -0.857 6.318 1.00 0.00 C ATOM 768 NH1 ARG A 48 -13.687 -1.309 5.866 1.00 0.00 N ATOM 769 NH2 ARG A 48 -12.090 -1.277 7.465 1.00 0.00 N ATOM 0 H ARG A 48 -9.048 3.836 2.221 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.792 1.787 4.033 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.285 2.299 4.579 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.668 1.787 2.947 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -9.340 -0.404 3.533 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.479 0.114 5.201 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.989 0.112 3.487 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.398 -1.418 4.103 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.681 0.939 6.012 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.046 -0.981 4.969 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.217 -1.991 6.409 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.201 -0.924 7.818 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.620 -1.959 8.008 1.00 0.00 H new ATOM 783 N LYS A 49 -6.937 1.074 1.781 1.00 0.00 N ATOM 784 CA LYS A 49 -6.528 0.390 0.519 1.00 0.00 C ATOM 785 C LYS A 49 -5.447 -0.657 0.814 1.00 0.00 C ATOM 786 O LYS A 49 -4.675 -0.518 1.742 1.00 0.00 O ATOM 787 CB LYS A 49 -5.976 1.502 -0.375 1.00 0.00 C ATOM 788 CG LYS A 49 -5.533 0.912 -1.715 1.00 0.00 C ATOM 789 CD LYS A 49 -6.758 0.660 -2.596 1.00 0.00 C ATOM 790 CE LYS A 49 -7.139 1.952 -3.323 1.00 0.00 C ATOM 791 NZ LYS A 49 -8.577 1.787 -3.672 1.00 0.00 N ATOM 0 H LYS A 49 -6.176 1.283 2.427 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.357 -0.136 0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.738 2.265 -0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.134 1.991 0.114 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.847 1.595 -2.216 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.992 -0.020 -1.552 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.543 -0.127 -3.319 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.593 0.314 -1.986 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.985 2.823 -2.687 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.530 2.097 -4.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.912 2.634 -4.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.692 0.954 -4.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.133 1.658 -2.802 1.00 0.00 H new ATOM 805 N GLY A 50 -5.388 -1.700 0.030 1.00 0.00 N ATOM 806 CA GLY A 50 -4.358 -2.753 0.262 1.00 0.00 C ATOM 807 C GLY A 50 -3.193 -2.555 -0.710 1.00 0.00 C ATOM 808 O GLY A 50 -3.324 -2.767 -1.901 1.00 0.00 O ATOM 0 H GLY A 50 -6.009 -1.868 -0.761 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.999 -2.705 1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.796 -3.741 0.124 1.00 0.00 H new ATOM 812 N LEU A 51 -2.054 -2.153 -0.213 1.00 0.00 N ATOM 813 CA LEU A 51 -0.878 -1.943 -1.106 1.00 0.00 C ATOM 814 C LEU A 51 0.139 -3.070 -0.918 1.00 0.00 C ATOM 815 O LEU A 51 0.288 -3.611 0.161 1.00 0.00 O ATOM 816 CB LEU A 51 -0.275 -0.602 -0.674 1.00 0.00 C ATOM 817 CG LEU A 51 -1.060 0.561 -1.295 1.00 0.00 C ATOM 818 CD1 LEU A 51 -1.010 0.459 -2.823 1.00 0.00 C ATOM 819 CD2 LEU A 51 -2.517 0.513 -0.830 1.00 0.00 C ATOM 0 H LEU A 51 -1.887 -1.961 0.775 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.161 -1.940 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.292 -0.521 0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.769 -0.550 -0.981 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.611 1.502 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.568 1.286 -3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.027 0.504 -3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.453 -0.485 -3.139 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.068 1.341 -1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.967 -0.430 -1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.555 0.593 0.256 1.00 0.00 H new ATOM 831 N THR A 52 0.844 -3.423 -1.959 1.00 0.00 N ATOM 832 CA THR A 52 1.857 -4.513 -1.846 1.00 0.00 C ATOM 833 C THR A 52 3.154 -3.963 -1.246 1.00 0.00 C ATOM 834 O THR A 52 3.784 -3.087 -1.807 1.00 0.00 O ATOM 835 CB THR A 52 2.087 -4.993 -3.279 1.00 0.00 C ATOM 836 OG1 THR A 52 2.236 -3.868 -4.134 1.00 0.00 O ATOM 837 CG2 THR A 52 0.892 -5.830 -3.739 1.00 0.00 C ATOM 0 H THR A 52 0.762 -3.003 -2.885 1.00 0.00 H new ATOM 0 HA THR A 52 1.524 -5.323 -1.197 1.00 0.00 H new ATOM 0 HB THR A 52 2.990 -5.603 -3.317 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.906 -3.259 -3.759 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.058 -6.171 -4.761 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.778 -6.693 -3.083 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.013 -5.224 -3.702 1.00 0.00 H new ATOM 845 N ALA A 53 3.554 -4.466 -0.109 1.00 0.00 N ATOM 846 CA ALA A 53 4.808 -3.966 0.528 1.00 0.00 C ATOM 847 C ALA A 53 5.616 -5.133 1.104 1.00 0.00 C ATOM 848 O ALA A 53 5.070 -6.044 1.694 1.00 0.00 O ATOM 849 CB ALA A 53 4.342 -3.036 1.647 1.00 0.00 C ATOM 0 H ALA A 53 3.068 -5.200 0.406 1.00 0.00 H new ATOM 0 HA ALA A 53 5.454 -3.455 -0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.209 -2.627 2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.755 -2.222 1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.729 -3.595 2.353 1.00 0.00 H new ATOM 855 N ALA A 54 6.910 -5.109 0.938 1.00 0.00 N ATOM 856 CA ALA A 54 7.756 -6.212 1.477 1.00 0.00 C ATOM 857 C ALA A 54 8.899 -5.635 2.319 1.00 0.00 C ATOM 858 O ALA A 54 9.893 -5.171 1.797 1.00 0.00 O ATOM 859 CB ALA A 54 8.309 -6.928 0.243 1.00 0.00 C ATOM 0 H ALA A 54 7.419 -4.371 0.451 1.00 0.00 H new ATOM 0 HA ALA A 54 7.194 -6.888 2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.944 -7.756 0.557 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.483 -7.311 -0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.894 -6.227 -0.352 1.00 0.00 H new ATOM 865 N THR A 55 8.759 -5.655 3.617 1.00 0.00 N ATOM 866 CA THR A 55 9.834 -5.107 4.493 1.00 0.00 C ATOM 867 C THR A 55 9.819 -5.812 5.854 1.00 0.00 C ATOM 868 O THR A 55 8.788 -6.250 6.324 1.00 0.00 O ATOM 869 CB THR A 55 9.494 -3.623 4.646 1.00 0.00 C ATOM 870 OG1 THR A 55 9.299 -3.050 3.360 1.00 0.00 O ATOM 871 CG2 THR A 55 10.640 -2.905 5.358 1.00 0.00 C ATOM 0 H THR A 55 7.947 -6.027 4.109 1.00 0.00 H new ATOM 0 HA THR A 55 10.829 -5.256 4.075 1.00 0.00 H new ATOM 0 HB THR A 55 8.583 -3.517 5.234 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.080 -2.100 3.455 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.396 -1.848 5.466 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.789 -3.346 6.344 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.554 -3.008 4.773 1.00 0.00 H new ATOM 879 N ARG A 56 10.959 -5.932 6.482 1.00 0.00 N ATOM 880 CA ARG A 56 11.016 -6.619 7.807 1.00 0.00 C ATOM 881 C ARG A 56 10.820 -5.619 8.955 1.00 0.00 C ATOM 882 O ARG A 56 9.756 -5.535 9.537 1.00 0.00 O ATOM 883 CB ARG A 56 12.412 -7.249 7.863 1.00 0.00 C ATOM 884 CG ARG A 56 12.592 -7.978 9.197 1.00 0.00 C ATOM 885 CD ARG A 56 13.821 -8.889 9.120 1.00 0.00 C ATOM 886 NE ARG A 56 13.800 -9.667 10.390 1.00 0.00 N ATOM 887 CZ ARG A 56 14.920 -10.071 10.926 1.00 0.00 C ATOM 888 NH1 ARG A 56 15.798 -9.196 11.337 1.00 0.00 N ATOM 889 NH2 ARG A 56 15.161 -11.347 11.052 1.00 0.00 N ATOM 0 H ARG A 56 11.853 -5.584 6.135 1.00 0.00 H new ATOM 0 HA ARG A 56 10.226 -7.362 7.916 1.00 0.00 H new ATOM 0 HB2 ARG A 56 12.541 -7.946 7.035 1.00 0.00 H new ATOM 0 HB3 ARG A 56 13.175 -6.478 7.752 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.711 -7.256 10.005 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.703 -8.567 9.425 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.772 -9.547 8.252 1.00 0.00 H new ATOM 0 HD3 ARG A 56 14.739 -8.308 9.027 1.00 0.00 H new ATOM 0 HE ARG A 56 12.911 -9.884 10.841 1.00 0.00 H new ATOM 0 HH11 ARG A 56 15.608 -8.199 11.239 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.673 -9.510 11.756 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.474 -12.030 10.732 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.036 -11.662 11.471 1.00 0.00 H new ATOM 903 N GLN A 57 11.839 -4.875 9.295 1.00 0.00 N ATOM 904 CA GLN A 57 11.712 -3.895 10.419 1.00 0.00 C ATOM 905 C GLN A 57 11.248 -2.529 9.904 1.00 0.00 C ATOM 906 O GLN A 57 10.458 -1.856 10.536 1.00 0.00 O ATOM 907 CB GLN A 57 13.120 -3.795 11.010 1.00 0.00 C ATOM 908 CG GLN A 57 13.103 -2.863 12.222 1.00 0.00 C ATOM 909 CD GLN A 57 14.525 -2.376 12.510 1.00 0.00 C ATOM 910 OE1 GLN A 57 15.312 -2.195 11.602 1.00 0.00 O ATOM 911 NE2 GLN A 57 14.891 -2.158 13.744 1.00 0.00 N ATOM 0 H GLN A 57 12.754 -4.902 8.845 1.00 0.00 H new ATOM 0 HA GLN A 57 10.974 -4.213 11.156 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.473 -4.784 11.304 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.815 -3.419 10.259 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.448 -2.013 12.032 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.703 -3.386 13.091 1.00 0.00 H new ATOM 0 HE21 GLN A 57 14.230 -2.310 14.506 1.00 0.00 H new ATOM 0 HE22 GLN A 57 15.837 -1.836 13.946 1.00 0.00 H new ATOM 920 N GLU A 58 11.738 -2.110 8.766 1.00 0.00 N ATOM 921 CA GLU A 58 11.327 -0.783 8.222 1.00 0.00 C ATOM 922 C GLU A 58 9.890 -0.831 7.684 1.00 0.00 C ATOM 923 O GLU A 58 9.343 0.175 7.274 1.00 0.00 O ATOM 924 CB GLU A 58 12.316 -0.494 7.089 1.00 0.00 C ATOM 925 CG GLU A 58 12.224 0.980 6.693 1.00 0.00 C ATOM 926 CD GLU A 58 12.815 1.172 5.295 1.00 0.00 C ATOM 927 OE1 GLU A 58 14.028 1.107 5.172 1.00 0.00 O ATOM 928 OE2 GLU A 58 12.046 1.381 4.372 1.00 0.00 O ATOM 0 H GLU A 58 12.403 -2.628 8.192 1.00 0.00 H new ATOM 0 HA GLU A 58 11.343 -0.009 8.989 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.330 -0.733 7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.095 -1.127 6.229 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.184 1.307 6.708 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.762 1.595 7.414 1.00 0.00 H new ATOM 935 N LEU A 59 9.274 -1.986 7.681 1.00 0.00 N ATOM 936 CA LEU A 59 7.878 -2.089 7.171 1.00 0.00 C ATOM 937 C LEU A 59 6.963 -1.105 7.909 1.00 0.00 C ATOM 938 O LEU A 59 6.054 -0.539 7.334 1.00 0.00 O ATOM 939 CB LEU A 59 7.462 -3.530 7.464 1.00 0.00 C ATOM 940 CG LEU A 59 6.070 -3.780 6.888 1.00 0.00 C ATOM 941 CD1 LEU A 59 6.191 -4.172 5.415 1.00 0.00 C ATOM 942 CD2 LEU A 59 5.388 -4.907 7.666 1.00 0.00 C ATOM 0 H LEU A 59 9.680 -2.862 8.011 1.00 0.00 H new ATOM 0 HA LEU A 59 7.807 -1.847 6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.179 -4.224 7.026 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.461 -3.709 8.539 1.00 0.00 H new ATOM 0 HG LEU A 59 5.473 -2.872 6.973 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.198 -4.351 5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.673 -3.366 4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.788 -5.080 5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.395 -5.084 7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.982 -5.817 7.584 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.300 -4.624 8.715 1.00 0.00 H new ATOM 954 N LEU A 60 7.197 -0.900 9.177 1.00 0.00 N ATOM 955 CA LEU A 60 6.339 0.046 9.948 1.00 0.00 C ATOM 956 C LEU A 60 6.499 1.468 9.404 1.00 0.00 C ATOM 957 O LEU A 60 5.547 2.218 9.311 1.00 0.00 O ATOM 958 CB LEU A 60 6.846 -0.033 11.390 1.00 0.00 C ATOM 959 CG LEU A 60 5.790 0.547 12.334 1.00 0.00 C ATOM 960 CD1 LEU A 60 5.038 -0.593 13.023 1.00 0.00 C ATOM 961 CD2 LEU A 60 6.472 1.418 13.391 1.00 0.00 C ATOM 0 H LEU A 60 7.943 -1.345 9.712 1.00 0.00 H new ATOM 0 HA LEU A 60 5.282 -0.208 9.875 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.058 -1.069 11.656 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.781 0.519 11.489 1.00 0.00 H new ATOM 0 HG LEU A 60 5.087 1.153 11.762 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.286 -0.179 13.695 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.550 -1.214 12.271 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.741 -1.200 13.594 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.720 1.831 14.063 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.176 0.813 13.962 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.007 2.232 12.902 1.00 0.00 H new ATOM 973 N ALA A 61 7.698 1.843 9.039 1.00 0.00 N ATOM 974 CA ALA A 61 7.920 3.218 8.497 1.00 0.00 C ATOM 975 C ALA A 61 6.991 3.476 7.305 1.00 0.00 C ATOM 976 O ALA A 61 6.688 4.607 6.978 1.00 0.00 O ATOM 977 CB ALA A 61 9.383 3.239 8.052 1.00 0.00 C ATOM 0 H ALA A 61 8.532 1.258 9.092 1.00 0.00 H new ATOM 0 HA ALA A 61 7.708 3.991 9.236 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.624 4.219 7.641 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.027 3.036 8.908 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.542 2.477 7.290 1.00 0.00 H new ATOM 983 N LYS A 62 6.541 2.436 6.654 1.00 0.00 N ATOM 984 CA LYS A 62 5.631 2.621 5.487 1.00 0.00 C ATOM 985 C LYS A 62 4.256 3.100 5.960 1.00 0.00 C ATOM 986 O LYS A 62 3.711 4.055 5.446 1.00 0.00 O ATOM 987 CB LYS A 62 5.524 1.238 4.840 1.00 0.00 C ATOM 988 CG LYS A 62 4.645 1.322 3.589 1.00 0.00 C ATOM 989 CD LYS A 62 3.203 0.943 3.946 1.00 0.00 C ATOM 990 CE LYS A 62 2.556 0.216 2.764 1.00 0.00 C ATOM 991 NZ LYS A 62 1.730 1.252 2.083 1.00 0.00 N ATOM 0 H LYS A 62 6.765 1.467 6.880 1.00 0.00 H new ATOM 0 HA LYS A 62 6.005 3.369 4.788 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.516 0.871 4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.099 0.526 5.548 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.675 2.331 3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.027 0.653 2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.192 0.304 4.829 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.631 1.838 4.193 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.310 -0.193 2.091 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.943 -0.619 3.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.253 0.830 1.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.017 1.619 2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.342 2.031 1.767 1.00 0.00 H new ATOM 1005 N ALA A 63 3.692 2.435 6.933 1.00 0.00 N ATOM 1006 CA ALA A 63 2.345 2.837 7.445 1.00 0.00 C ATOM 1007 C ALA A 63 2.333 4.315 7.848 1.00 0.00 C ATOM 1008 O ALA A 63 1.349 5.007 7.676 1.00 0.00 O ATOM 1009 CB ALA A 63 2.112 1.956 8.672 1.00 0.00 C ATOM 0 H ALA A 63 4.106 1.627 7.398 1.00 0.00 H new ATOM 0 HA ALA A 63 1.571 2.712 6.688 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.141 2.190 9.109 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.134 0.907 8.376 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.895 2.142 9.407 1.00 0.00 H new ATOM 1015 N LEU A 64 3.413 4.798 8.395 1.00 0.00 N ATOM 1016 CA LEU A 64 3.464 6.227 8.819 1.00 0.00 C ATOM 1017 C LEU A 64 3.653 7.154 7.611 1.00 0.00 C ATOM 1018 O LEU A 64 2.772 7.910 7.249 1.00 0.00 O ATOM 1019 CB LEU A 64 4.669 6.320 9.755 1.00 0.00 C ATOM 1020 CG LEU A 64 4.448 5.420 10.971 1.00 0.00 C ATOM 1021 CD1 LEU A 64 5.721 5.386 11.820 1.00 0.00 C ATOM 1022 CD2 LEU A 64 3.293 5.970 11.810 1.00 0.00 C ATOM 0 H LEU A 64 4.265 4.265 8.568 1.00 0.00 H new ATOM 0 HA LEU A 64 2.538 6.536 9.304 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.575 6.020 9.228 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.814 7.352 10.076 1.00 0.00 H new ATOM 0 HG LEU A 64 4.207 4.411 10.636 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.563 4.744 12.687 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.545 4.995 11.224 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.962 6.395 12.155 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.135 5.328 12.677 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.534 6.979 12.144 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.385 5.995 11.207 1.00 0.00 H new ATOM 1034 N GLU A 65 4.811 7.117 7.006 1.00 0.00 N ATOM 1035 CA GLU A 65 5.096 8.010 5.841 1.00 0.00 C ATOM 1036 C GLU A 65 4.028 7.896 4.747 1.00 0.00 C ATOM 1037 O GLU A 65 3.697 8.874 4.104 1.00 0.00 O ATOM 1038 CB GLU A 65 6.451 7.543 5.310 1.00 0.00 C ATOM 1039 CG GLU A 65 7.042 8.620 4.395 1.00 0.00 C ATOM 1040 CD GLU A 65 6.395 8.525 3.011 1.00 0.00 C ATOM 1041 OE1 GLU A 65 6.220 7.416 2.536 1.00 0.00 O ATOM 1042 OE2 GLU A 65 6.087 9.564 2.451 1.00 0.00 O ATOM 0 H GLU A 65 5.580 6.501 7.271 1.00 0.00 H new ATOM 0 HA GLU A 65 5.097 9.057 6.143 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.129 7.344 6.140 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.336 6.608 4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.871 9.608 4.821 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.121 8.491 4.313 1.00 0.00 H new ATOM 1049 N THR A 66 3.492 6.725 4.510 1.00 0.00 N ATOM 1050 CA THR A 66 2.458 6.591 3.434 1.00 0.00 C ATOM 1051 C THR A 66 1.363 7.651 3.614 1.00 0.00 C ATOM 1052 O THR A 66 0.960 8.302 2.671 1.00 0.00 O ATOM 1053 CB THR A 66 1.886 5.177 3.576 1.00 0.00 C ATOM 1054 OG1 THR A 66 0.904 4.964 2.574 1.00 0.00 O ATOM 1055 CG2 THR A 66 1.253 5.008 4.956 1.00 0.00 C ATOM 0 H THR A 66 3.721 5.864 5.007 1.00 0.00 H new ATOM 0 HA THR A 66 2.882 6.744 2.442 1.00 0.00 H new ATOM 0 HB THR A 66 2.690 4.450 3.461 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.538 4.059 2.662 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.848 4.000 5.050 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.009 5.169 5.725 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.450 5.734 5.079 1.00 0.00 H new ATOM 1063 N LEU A 67 0.893 7.841 4.819 1.00 0.00 N ATOM 1064 CA LEU A 67 -0.157 8.873 5.054 1.00 0.00 C ATOM 1065 C LEU A 67 0.478 10.133 5.653 1.00 0.00 C ATOM 1066 O LEU A 67 0.287 11.229 5.164 1.00 0.00 O ATOM 1067 CB LEU A 67 -1.128 8.234 6.048 1.00 0.00 C ATOM 1068 CG LEU A 67 -1.798 7.018 5.400 1.00 0.00 C ATOM 1069 CD1 LEU A 67 -1.904 5.886 6.424 1.00 0.00 C ATOM 1070 CD2 LEU A 67 -3.200 7.399 4.921 1.00 0.00 C ATOM 0 H LEU A 67 1.191 7.327 5.648 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.660 9.173 4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.595 7.931 6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.883 8.959 6.352 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.200 6.688 4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.381 5.021 5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.907 5.611 6.767 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.500 6.219 7.274 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.675 6.533 4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.797 7.731 5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.128 8.205 4.190 1.00 0.00 H new ATOM 1082 N LEU A 68 1.240 9.978 6.707 1.00 0.00 N ATOM 1083 CA LEU A 68 1.900 11.159 7.343 1.00 0.00 C ATOM 1084 C LEU A 68 3.342 10.806 7.725 1.00 0.00 C ATOM 1085 O LEU A 68 3.582 9.866 8.456 1.00 0.00 O ATOM 1086 CB LEU A 68 1.089 11.459 8.614 1.00 0.00 C ATOM 1087 CG LEU A 68 -0.190 12.249 8.289 1.00 0.00 C ATOM 1088 CD1 LEU A 68 0.123 13.409 7.336 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.221 11.320 7.648 1.00 0.00 C ATOM 0 H LEU A 68 1.434 9.082 7.155 1.00 0.00 H new ATOM 0 HA LEU A 68 1.929 12.015 6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.825 10.524 9.109 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.702 12.028 9.313 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.594 12.657 9.216 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.793 13.957 7.117 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.844 14.080 7.804 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.541 13.016 6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.126 11.883 7.419 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.812 10.902 6.728 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.462 10.512 8.339 1.00 0.00 H new ATOM 1101 N LEU A 69 4.299 11.556 7.249 1.00 0.00 N ATOM 1102 CA LEU A 69 5.717 11.257 7.603 1.00 0.00 C ATOM 1103 C LEU A 69 6.069 11.905 8.946 1.00 0.00 C ATOM 1104 O LEU A 69 6.146 13.112 9.066 1.00 0.00 O ATOM 1105 CB LEU A 69 6.554 11.853 6.464 1.00 0.00 C ATOM 1106 CG LEU A 69 6.358 13.373 6.404 1.00 0.00 C ATOM 1107 CD1 LEU A 69 7.594 14.070 6.981 1.00 0.00 C ATOM 1108 CD2 LEU A 69 6.163 13.808 4.951 1.00 0.00 C ATOM 0 H LEU A 69 4.162 12.358 6.634 1.00 0.00 H new ATOM 0 HA LEU A 69 5.902 10.188 7.712 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.608 11.620 6.617 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.263 11.403 5.515 1.00 0.00 H new ATOM 0 HG LEU A 69 5.478 13.647 6.986 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.455 15.150 6.939 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.735 13.762 8.017 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.473 13.794 6.398 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.024 14.888 4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.042 13.533 4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.284 13.313 4.538 1.00 0.00 H new ATOM 1120 N ASN A 70 6.273 11.108 9.962 1.00 0.00 N ATOM 1121 CA ASN A 70 6.611 11.676 11.300 1.00 0.00 C ATOM 1122 C ASN A 70 7.681 10.821 11.983 1.00 0.00 C ATOM 1123 O ASN A 70 7.652 9.608 11.920 1.00 0.00 O ATOM 1124 CB ASN A 70 5.303 11.628 12.089 1.00 0.00 C ATOM 1125 CG ASN A 70 5.384 12.597 13.270 1.00 0.00 C ATOM 1126 OD1 ASN A 70 6.457 12.895 13.755 1.00 0.00 O ATOM 1127 ND2 ASN A 70 4.284 13.106 13.757 1.00 0.00 N ATOM 0 H ASN A 70 6.220 10.090 9.923 1.00 0.00 H new ATOM 0 HA ASN A 70 7.010 12.688 11.231 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.466 11.894 11.443 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.119 10.615 12.448 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.326 13.753 14.544 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.383 12.856 13.350 1.00 0.00 H new ATOM 1134 N GLY A 71 8.622 11.446 12.637 1.00 0.00 N ATOM 1135 CA GLY A 71 9.694 10.674 13.325 1.00 0.00 C ATOM 1136 C GLY A 71 9.084 9.845 14.455 1.00 0.00 C ATOM 1137 O GLY A 71 9.548 8.765 14.764 1.00 0.00 O ATOM 0 H GLY A 71 8.694 12.460 12.724 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.200 10.021 12.614 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.447 11.354 13.724 1.00 0.00 H new ATOM 1141 N VAL A 72 8.046 10.340 15.079 1.00 0.00 N ATOM 1142 CA VAL A 72 7.409 9.576 16.192 1.00 0.00 C ATOM 1143 C VAL A 72 5.883 9.617 16.070 1.00 0.00 C ATOM 1144 O VAL A 72 5.290 10.668 15.930 1.00 0.00 O ATOM 1145 CB VAL A 72 7.863 10.280 17.472 1.00 0.00 C ATOM 1146 CG1 VAL A 72 7.353 9.503 18.687 1.00 0.00 C ATOM 1147 CG2 VAL A 72 9.391 10.339 17.514 1.00 0.00 C ATOM 0 H VAL A 72 7.613 11.239 14.866 1.00 0.00 H new ATOM 0 HA VAL A 72 7.696 8.525 16.180 1.00 0.00 H new ATOM 0 HB VAL A 72 7.461 11.293 17.488 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.676 10.003 19.600 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.264 9.461 18.661 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.756 8.490 18.666 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.711 10.841 18.427 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.795 9.327 17.496 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.758 10.891 16.649 1.00 0.00 H new ATOM 1157 N LEU A 73 5.247 8.478 16.127 1.00 0.00 N ATOM 1158 CA LEU A 73 3.758 8.438 16.021 1.00 0.00 C ATOM 1159 C LEU A 73 3.204 7.325 16.914 1.00 0.00 C ATOM 1160 O LEU A 73 3.795 6.271 17.045 1.00 0.00 O ATOM 1161 CB LEU A 73 3.479 8.141 14.541 1.00 0.00 C ATOM 1162 CG LEU A 73 2.021 8.474 14.184 1.00 0.00 C ATOM 1163 CD1 LEU A 73 1.078 7.481 14.870 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.679 9.898 14.635 1.00 0.00 C ATOM 0 H LEU A 73 5.696 7.569 16.243 1.00 0.00 H new ATOM 0 HA LEU A 73 3.287 9.367 16.343 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.154 8.724 13.915 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.679 7.090 14.332 1.00 0.00 H new ATOM 0 HG LEU A 73 1.900 8.403 13.103 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.046 7.722 14.613 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.308 6.470 14.535 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.207 7.544 15.951 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.644 10.123 14.377 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.810 9.979 15.714 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.340 10.606 14.135 1.00 0.00 H new ATOM 1176 N THR A 74 2.074 7.552 17.531 1.00 0.00 N ATOM 1177 CA THR A 74 1.482 6.505 18.415 1.00 0.00 C ATOM 1178 C THR A 74 0.762 5.448 17.573 1.00 0.00 C ATOM 1179 O THR A 74 -0.166 5.747 16.849 1.00 0.00 O ATOM 1180 CB THR A 74 0.487 7.255 19.301 1.00 0.00 C ATOM 1181 OG1 THR A 74 -0.309 8.112 18.495 1.00 0.00 O ATOM 1182 CG2 THR A 74 1.246 8.086 20.337 1.00 0.00 C ATOM 0 H THR A 74 1.536 8.416 17.461 1.00 0.00 H new ATOM 0 HA THR A 74 2.237 5.982 19.002 1.00 0.00 H new ATOM 0 HB THR A 74 -0.154 6.538 19.814 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.429 7.710 17.610 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.535 8.620 20.967 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.856 7.428 20.955 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.889 8.804 19.827 1.00 0.00 H new ATOM 1190 N LEU A 75 1.183 4.213 17.665 1.00 0.00 N ATOM 1191 CA LEU A 75 0.522 3.137 16.871 1.00 0.00 C ATOM 1192 C LEU A 75 -0.511 2.407 17.732 1.00 0.00 C ATOM 1193 O LEU A 75 -0.220 1.971 18.829 1.00 0.00 O ATOM 1194 CB LEU A 75 1.647 2.183 16.470 1.00 0.00 C ATOM 1195 CG LEU A 75 2.582 2.873 15.473 1.00 0.00 C ATOM 1196 CD1 LEU A 75 3.843 3.347 16.197 1.00 0.00 C ATOM 1197 CD2 LEU A 75 2.972 1.883 14.371 1.00 0.00 C ATOM 0 H LEU A 75 1.955 3.904 18.255 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.004 3.533 16.002 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.206 1.874 17.353 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.229 1.280 16.025 1.00 0.00 H new ATOM 0 HG LEU A 75 2.072 3.730 15.032 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.508 3.838 15.486 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.569 4.051 16.983 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.353 2.491 16.639 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.638 2.373 13.661 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.481 1.027 14.814 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.075 1.543 13.853 1.00 0.00 H new ATOM 1209 N VAL A 76 -1.715 2.268 17.244 1.00 0.00 N ATOM 1210 CA VAL A 76 -2.764 1.561 18.033 1.00 0.00 C ATOM 1211 C VAL A 76 -3.528 0.586 17.134 1.00 0.00 C ATOM 1212 O VAL A 76 -3.377 0.587 15.929 1.00 0.00 O ATOM 1213 CB VAL A 76 -3.695 2.659 18.552 1.00 0.00 C ATOM 1214 CG1 VAL A 76 -2.939 3.536 19.550 1.00 0.00 C ATOM 1215 CG2 VAL A 76 -4.181 3.520 17.383 1.00 0.00 C ATOM 0 H VAL A 76 -2.017 2.614 16.333 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.339 0.978 18.850 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.554 2.202 19.044 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.601 4.319 19.921 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.597 2.925 20.385 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.080 3.991 19.057 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.844 4.301 17.757 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.325 3.978 16.887 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.721 2.896 16.671 1.00 0.00 H new ATOM 1225 N LEU A 77 -4.345 -0.250 17.715 1.00 0.00 N ATOM 1226 CA LEU A 77 -5.120 -1.231 16.903 1.00 0.00 C ATOM 1227 C LEU A 77 -6.549 -1.355 17.443 1.00 0.00 C ATOM 1228 O LEU A 77 -6.809 -1.076 18.597 1.00 0.00 O ATOM 1229 CB LEU A 77 -4.370 -2.559 17.048 1.00 0.00 C ATOM 1230 CG LEU A 77 -4.169 -2.891 18.533 1.00 0.00 C ATOM 1231 CD1 LEU A 77 -4.899 -4.192 18.882 1.00 0.00 C ATOM 1232 CD2 LEU A 77 -2.673 -3.052 18.821 1.00 0.00 C ATOM 0 H LEU A 77 -4.510 -0.296 18.721 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.201 -0.926 15.860 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.930 -3.357 16.561 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.404 -2.497 16.547 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.574 -2.081 19.139 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.751 -4.420 19.938 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.964 -4.077 18.681 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.502 -5.006 18.276 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.529 -3.288 19.875 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.270 -3.860 18.210 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.155 -2.123 18.583 1.00 0.00 H new ATOM 1244 N GLU A 78 -7.472 -1.766 16.617 1.00 0.00 N ATOM 1245 CA GLU A 78 -8.885 -1.905 17.079 1.00 0.00 C ATOM 1246 C GLU A 78 -9.225 -3.375 17.342 1.00 0.00 C ATOM 1247 O GLU A 78 -10.176 -3.685 18.032 1.00 0.00 O ATOM 1248 CB GLU A 78 -9.729 -1.357 15.927 1.00 0.00 C ATOM 1249 CG GLU A 78 -11.185 -1.228 16.380 1.00 0.00 C ATOM 1250 CD GLU A 78 -11.959 -0.385 15.363 1.00 0.00 C ATOM 1251 OE1 GLU A 78 -11.944 -0.740 14.196 1.00 0.00 O ATOM 1252 OE2 GLU A 78 -12.556 0.597 15.769 1.00 0.00 O ATOM 0 H GLU A 78 -7.310 -2.012 15.641 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.066 -1.372 18.013 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.347 -0.386 15.612 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.662 -2.021 15.065 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.638 -2.215 16.471 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.232 -0.764 17.365 1.00 0.00 H new ATOM 1259 N GLU A 79 -8.461 -4.286 16.795 1.00 0.00 N ATOM 1260 CA GLU A 79 -8.747 -5.736 17.014 1.00 0.00 C ATOM 1261 C GLU A 79 -8.807 -6.047 18.514 1.00 0.00 C ATOM 1262 O GLU A 79 -9.849 -6.381 19.046 1.00 0.00 O ATOM 1263 CB GLU A 79 -7.581 -6.476 16.358 1.00 0.00 C ATOM 1264 CG GLU A 79 -7.801 -7.984 16.474 1.00 0.00 C ATOM 1265 CD GLU A 79 -6.708 -8.722 15.699 1.00 0.00 C ATOM 1266 OE1 GLU A 79 -5.573 -8.278 15.748 1.00 0.00 O ATOM 1267 OE2 GLU A 79 -7.024 -9.720 15.073 1.00 0.00 O ATOM 0 H GLU A 79 -7.652 -4.088 16.206 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.707 -6.034 16.592 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.499 -6.190 15.309 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.643 -6.197 16.839 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.785 -8.285 17.522 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.782 -8.250 16.081 1.00 0.00 H new ATOM 1274 N ASP A 80 -7.700 -5.940 19.197 1.00 0.00 N ATOM 1275 CA ASP A 80 -7.693 -6.229 20.661 1.00 0.00 C ATOM 1276 C ASP A 80 -7.793 -4.928 21.468 1.00 0.00 C ATOM 1277 O ASP A 80 -7.912 -4.948 22.677 1.00 0.00 O ATOM 1278 CB ASP A 80 -6.352 -6.917 20.921 1.00 0.00 C ATOM 1279 CG ASP A 80 -6.401 -7.636 22.270 1.00 0.00 C ATOM 1280 OD1 ASP A 80 -6.274 -6.966 23.281 1.00 0.00 O ATOM 1281 OD2 ASP A 80 -6.564 -8.845 22.269 1.00 0.00 O ATOM 0 H ASP A 80 -6.799 -5.665 18.805 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.538 -6.849 20.960 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.136 -7.629 20.125 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.547 -6.182 20.918 1.00 0.00 H new ATOM 1286 N GLY A 81 -7.746 -3.796 20.812 1.00 0.00 N ATOM 1287 CA GLY A 81 -7.840 -2.503 21.546 1.00 0.00 C ATOM 1288 C GLY A 81 -6.623 -2.340 22.456 1.00 0.00 C ATOM 1289 O GLY A 81 -6.733 -2.376 23.668 1.00 0.00 O ATOM 0 H GLY A 81 -7.647 -3.714 19.800 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.892 -1.675 20.839 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.755 -2.475 22.137 1.00 0.00 H new ATOM 1293 N THR A 82 -5.463 -2.157 21.884 1.00 0.00 N ATOM 1294 CA THR A 82 -4.236 -1.988 22.717 1.00 0.00 C ATOM 1295 C THR A 82 -3.327 -0.913 22.112 1.00 0.00 C ATOM 1296 O THR A 82 -3.362 -0.654 20.925 1.00 0.00 O ATOM 1297 CB THR A 82 -3.543 -3.352 22.688 1.00 0.00 C ATOM 1298 OG1 THR A 82 -4.415 -4.337 23.225 1.00 0.00 O ATOM 1299 CG2 THR A 82 -2.261 -3.291 23.521 1.00 0.00 C ATOM 0 H THR A 82 -5.312 -2.117 20.876 1.00 0.00 H new ATOM 0 HA THR A 82 -4.470 -1.671 23.733 1.00 0.00 H new ATOM 0 HB THR A 82 -3.293 -3.612 21.659 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.973 -5.211 23.205 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.767 -4.263 23.501 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.593 -2.536 23.106 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.508 -3.031 24.550 1.00 0.00 H new ATOM 1307 N ALA A 83 -2.509 -0.292 22.920 1.00 0.00 N ATOM 1308 CA ALA A 83 -1.592 0.762 22.395 1.00 0.00 C ATOM 1309 C ALA A 83 -0.250 0.138 22.002 1.00 0.00 C ATOM 1310 O ALA A 83 0.190 -0.829 22.596 1.00 0.00 O ATOM 1311 CB ALA A 83 -1.412 1.747 23.552 1.00 0.00 C ATOM 0 H ALA A 83 -2.436 -0.469 23.922 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.988 1.253 21.506 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.748 2.554 23.243 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.381 2.161 23.831 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.979 1.228 24.407 1.00 0.00 H new ATOM 1317 N VAL A 84 0.400 0.676 21.005 1.00 0.00 N ATOM 1318 CA VAL A 84 1.711 0.106 20.576 1.00 0.00 C ATOM 1319 C VAL A 84 2.655 1.218 20.108 1.00 0.00 C ATOM 1320 O VAL A 84 2.235 2.198 19.527 1.00 0.00 O ATOM 1321 CB VAL A 84 1.374 -0.828 19.411 1.00 0.00 C ATOM 1322 CG1 VAL A 84 2.656 -1.493 18.899 1.00 0.00 C ATOM 1323 CG2 VAL A 84 0.396 -1.906 19.886 1.00 0.00 C ATOM 0 H VAL A 84 0.081 1.484 20.470 1.00 0.00 H new ATOM 0 HA VAL A 84 2.215 -0.414 21.390 1.00 0.00 H new ATOM 0 HB VAL A 84 0.918 -0.252 18.606 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.415 -2.158 18.070 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.353 -0.727 18.559 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.114 -2.068 19.704 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.156 -2.571 19.056 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.852 -2.481 20.692 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.517 -1.434 20.249 1.00 0.00 H new ATOM 1333 N ASP A 85 3.929 1.063 20.352 1.00 0.00 N ATOM 1334 CA ASP A 85 4.911 2.099 19.917 1.00 0.00 C ATOM 1335 C ASP A 85 6.234 1.438 19.515 1.00 0.00 C ATOM 1336 O ASP A 85 7.273 2.068 19.499 1.00 0.00 O ATOM 1337 CB ASP A 85 5.108 3.012 21.131 1.00 0.00 C ATOM 1338 CG ASP A 85 5.486 2.177 22.360 1.00 0.00 C ATOM 1339 OD1 ASP A 85 6.192 1.197 22.196 1.00 0.00 O ATOM 1340 OD2 ASP A 85 5.061 2.537 23.445 1.00 0.00 O ATOM 0 H ASP A 85 4.333 0.261 20.835 1.00 0.00 H new ATOM 0 HA ASP A 85 4.559 2.658 19.050 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.890 3.743 20.924 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.193 3.571 21.328 1.00 0.00 H new ATOM 1345 N SER A 86 6.204 0.169 19.195 1.00 0.00 N ATOM 1346 CA SER A 86 7.460 -0.536 18.799 1.00 0.00 C ATOM 1347 C SER A 86 7.164 -1.587 17.723 1.00 0.00 C ATOM 1348 O SER A 86 6.027 -1.819 17.365 1.00 0.00 O ATOM 1349 CB SER A 86 7.955 -1.207 20.080 1.00 0.00 C ATOM 1350 OG SER A 86 9.141 -1.937 19.798 1.00 0.00 O ATOM 0 H SER A 86 5.364 -0.409 19.191 1.00 0.00 H new ATOM 0 HA SER A 86 8.201 0.145 18.380 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.149 -0.456 20.846 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.189 -1.874 20.475 1.00 0.00 H new ATOM 0 HG SER A 86 9.463 -2.368 20.617 1.00 0.00 H new ATOM 1356 N GLU A 87 8.185 -2.224 17.212 1.00 0.00 N ATOM 1357 CA GLU A 87 7.973 -3.265 16.159 1.00 0.00 C ATOM 1358 C GLU A 87 7.177 -4.450 16.723 1.00 0.00 C ATOM 1359 O GLU A 87 6.720 -5.303 15.987 1.00 0.00 O ATOM 1360 CB GLU A 87 9.378 -3.713 15.754 1.00 0.00 C ATOM 1361 CG GLU A 87 9.294 -4.607 14.516 1.00 0.00 C ATOM 1362 CD GLU A 87 10.629 -5.326 14.312 1.00 0.00 C ATOM 1363 OE1 GLU A 87 11.653 -4.710 14.559 1.00 0.00 O ATOM 1364 OE2 GLU A 87 10.605 -6.477 13.912 1.00 0.00 O ATOM 0 H GLU A 87 9.158 -2.069 17.478 1.00 0.00 H new ATOM 0 HA GLU A 87 7.405 -2.878 15.313 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.002 -2.844 15.546 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.849 -4.254 16.575 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.491 -5.335 14.634 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.054 -4.008 13.638 1.00 0.00 H new ATOM 1371 N ASP A 88 7.008 -4.512 18.019 1.00 0.00 N ATOM 1372 CA ASP A 88 6.244 -5.644 18.625 1.00 0.00 C ATOM 1373 C ASP A 88 4.781 -5.635 18.156 1.00 0.00 C ATOM 1374 O ASP A 88 4.046 -6.572 18.398 1.00 0.00 O ATOM 1375 CB ASP A 88 6.321 -5.407 20.135 1.00 0.00 C ATOM 1376 CG ASP A 88 6.080 -6.726 20.873 1.00 0.00 C ATOM 1377 OD1 ASP A 88 5.047 -7.330 20.642 1.00 0.00 O ATOM 1378 OD2 ASP A 88 6.933 -7.107 21.657 1.00 0.00 O ATOM 0 H ASP A 88 7.366 -3.827 18.684 1.00 0.00 H new ATOM 0 HA ASP A 88 6.655 -6.611 18.335 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.298 -5.003 20.401 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.578 -4.669 20.436 1.00 0.00 H new ATOM 1383 N PHE A 89 4.351 -4.585 17.496 1.00 0.00 N ATOM 1384 CA PHE A 89 2.934 -4.515 17.015 1.00 0.00 C ATOM 1385 C PHE A 89 2.509 -5.838 16.363 1.00 0.00 C ATOM 1386 O PHE A 89 1.782 -6.619 16.943 1.00 0.00 O ATOM 1387 CB PHE A 89 2.925 -3.379 15.984 1.00 0.00 C ATOM 1388 CG PHE A 89 1.604 -3.362 15.248 1.00 0.00 C ATOM 1389 CD1 PHE A 89 0.405 -3.311 15.961 1.00 0.00 C ATOM 1390 CD2 PHE A 89 1.584 -3.400 13.851 1.00 0.00 C ATOM 1391 CE1 PHE A 89 -0.818 -3.299 15.282 1.00 0.00 C ATOM 1392 CE2 PHE A 89 0.365 -3.388 13.163 1.00 0.00 C ATOM 1393 CZ PHE A 89 -0.852 -3.336 13.874 1.00 0.00 C ATOM 0 H PHE A 89 4.923 -3.771 17.269 1.00 0.00 H new ATOM 0 HA PHE A 89 2.235 -4.338 17.832 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.086 -2.423 16.482 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.744 -3.512 15.277 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.422 -3.281 17.040 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.512 -3.439 13.300 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.742 -3.261 15.840 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.356 -3.419 12.083 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.795 -3.325 13.348 1.00 0.00 H new ATOM 1403 N PHE A 90 2.952 -6.088 15.159 1.00 0.00 N ATOM 1404 CA PHE A 90 2.568 -7.355 14.466 1.00 0.00 C ATOM 1405 C PHE A 90 2.904 -8.575 15.331 1.00 0.00 C ATOM 1406 O PHE A 90 2.331 -9.636 15.168 1.00 0.00 O ATOM 1407 CB PHE A 90 3.393 -7.365 13.176 1.00 0.00 C ATOM 1408 CG PHE A 90 2.749 -6.450 12.162 1.00 0.00 C ATOM 1409 CD1 PHE A 90 1.426 -6.664 11.769 1.00 0.00 C ATOM 1410 CD2 PHE A 90 3.476 -5.391 11.616 1.00 0.00 C ATOM 1411 CE1 PHE A 90 0.824 -5.820 10.829 1.00 0.00 C ATOM 1412 CE2 PHE A 90 2.885 -4.541 10.674 1.00 0.00 C ATOM 1413 CZ PHE A 90 1.548 -4.747 10.269 1.00 0.00 C ATOM 0 H PHE A 90 3.563 -5.470 14.625 1.00 0.00 H new ATOM 0 HA PHE A 90 1.497 -7.403 14.270 1.00 0.00 H new ATOM 0 HB2 PHE A 90 4.413 -7.039 13.381 1.00 0.00 H new ATOM 0 HB3 PHE A 90 3.456 -8.378 12.779 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.865 -7.484 12.192 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.499 -5.227 11.922 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.200 -5.991 10.531 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.454 -3.724 10.255 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.088 -4.094 9.543 1.00 0.00 H new ATOM 1423 N GLN A 91 3.823 -8.437 16.248 1.00 0.00 N ATOM 1424 CA GLN A 91 4.188 -9.592 17.121 1.00 0.00 C ATOM 1425 C GLN A 91 3.246 -9.670 18.329 1.00 0.00 C ATOM 1426 O GLN A 91 3.207 -10.661 19.031 1.00 0.00 O ATOM 1427 CB GLN A 91 5.619 -9.305 17.576 1.00 0.00 C ATOM 1428 CG GLN A 91 6.156 -10.506 18.359 1.00 0.00 C ATOM 1429 CD GLN A 91 7.661 -10.644 18.115 1.00 0.00 C ATOM 1430 OE1 GLN A 91 8.105 -10.657 16.985 1.00 0.00 O ATOM 1431 NE2 GLN A 91 8.468 -10.748 19.134 1.00 0.00 N ATOM 0 H GLN A 91 4.337 -7.575 16.431 1.00 0.00 H new ATOM 0 HA GLN A 91 4.107 -10.545 16.597 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.254 -9.107 16.712 1.00 0.00 H new ATOM 0 HB3 GLN A 91 5.641 -8.411 18.200 1.00 0.00 H new ATOM 0 HG2 GLN A 91 5.960 -10.377 19.423 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.642 -11.415 18.048 1.00 0.00 H new ATOM 0 HE21 GLN A 91 8.095 -10.737 20.083 1.00 0.00 H new ATOM 0 HE22 GLN A 91 9.472 -10.840 18.982 1.00 0.00 H new ATOM 1440 N LEU A 92 2.491 -8.631 18.580 1.00 0.00 N ATOM 1441 CA LEU A 92 1.558 -8.644 19.745 1.00 0.00 C ATOM 1442 C LEU A 92 0.204 -9.237 19.342 1.00 0.00 C ATOM 1443 O LEU A 92 -0.475 -9.851 20.143 1.00 0.00 O ATOM 1444 CB LEU A 92 1.407 -7.173 20.140 1.00 0.00 C ATOM 1445 CG LEU A 92 0.591 -7.065 21.429 1.00 0.00 C ATOM 1446 CD1 LEU A 92 1.129 -5.913 22.279 1.00 0.00 C ATOM 1447 CD2 LEU A 92 -0.875 -6.797 21.083 1.00 0.00 C ATOM 0 H LEU A 92 2.481 -7.774 18.027 1.00 0.00 H new ATOM 0 HA LEU A 92 1.932 -9.254 20.567 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.389 -6.722 20.281 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.915 -6.620 19.340 1.00 0.00 H new ATOM 0 HG LEU A 92 0.670 -7.998 21.987 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.547 -5.836 23.198 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.174 -6.100 22.526 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.050 -4.981 21.720 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.457 -6.720 22.001 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.952 -5.864 20.525 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.261 -7.616 20.476 1.00 0.00 H new ATOM 1459 N LEU A 93 -0.197 -9.057 18.112 1.00 0.00 N ATOM 1460 CA LEU A 93 -1.511 -9.612 17.662 1.00 0.00 C ATOM 1461 C LEU A 93 -1.289 -10.814 16.737 1.00 0.00 C ATOM 1462 O LEU A 93 -0.211 -11.014 16.214 1.00 0.00 O ATOM 1463 CB LEU A 93 -2.191 -8.478 16.888 1.00 0.00 C ATOM 1464 CG LEU A 93 -2.222 -7.202 17.735 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -1.051 -6.296 17.339 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -3.542 -6.461 17.492 1.00 0.00 C ATOM 0 H LEU A 93 0.327 -8.550 17.398 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.115 -9.953 18.503 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.656 -8.292 15.957 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.206 -8.769 16.619 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.139 -7.465 18.790 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.073 -5.388 17.942 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.111 -6.821 17.509 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.135 -6.033 16.284 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.566 -5.553 18.094 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.623 -6.199 16.437 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.377 -7.104 17.772 1.00 0.00 H new ATOM 1478 N GLU A 94 -2.309 -11.606 16.521 1.00 0.00 N ATOM 1479 CA GLU A 94 -2.157 -12.782 15.614 1.00 0.00 C ATOM 1480 C GLU A 94 -1.879 -12.290 14.193 1.00 0.00 C ATOM 1481 O GLU A 94 -1.888 -11.101 13.934 1.00 0.00 O ATOM 1482 CB GLU A 94 -3.499 -13.513 15.677 1.00 0.00 C ATOM 1483 CG GLU A 94 -3.611 -14.260 17.007 1.00 0.00 C ATOM 1484 CD GLU A 94 -2.606 -15.414 17.031 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -2.924 -16.462 16.491 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -1.537 -15.231 17.588 1.00 0.00 O ATOM 0 H GLU A 94 -3.235 -11.489 16.932 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.333 -13.434 15.904 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.318 -12.801 15.578 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.583 -14.213 14.846 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.419 -13.579 17.836 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.623 -14.643 17.137 1.00 0.00 H new ATOM 1493 N ASP A 95 -1.624 -13.177 13.268 1.00 0.00 N ATOM 1494 CA ASP A 95 -1.342 -12.714 11.878 1.00 0.00 C ATOM 1495 C ASP A 95 -2.591 -12.059 11.283 1.00 0.00 C ATOM 1496 O ASP A 95 -3.638 -12.667 11.174 1.00 0.00 O ATOM 1497 CB ASP A 95 -0.977 -13.978 11.099 1.00 0.00 C ATOM 1498 CG ASP A 95 -0.616 -13.605 9.659 1.00 0.00 C ATOM 1499 OD1 ASP A 95 0.110 -12.642 9.481 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -1.073 -14.292 8.759 1.00 0.00 O ATOM 0 H ASP A 95 -1.599 -14.187 13.411 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.542 -11.974 11.843 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -0.137 -14.482 11.577 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.814 -14.676 11.106 1.00 0.00 H new ATOM 1505 N ASP A 96 -2.476 -10.820 10.894 1.00 0.00 N ATOM 1506 CA ASP A 96 -3.635 -10.099 10.295 1.00 0.00 C ATOM 1507 C ASP A 96 -3.153 -8.786 9.680 1.00 0.00 C ATOM 1508 O ASP A 96 -2.002 -8.418 9.820 1.00 0.00 O ATOM 1509 CB ASP A 96 -4.595 -9.833 11.459 1.00 0.00 C ATOM 1510 CG ASP A 96 -3.879 -9.031 12.550 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -3.436 -7.932 12.256 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -3.788 -9.528 13.660 1.00 0.00 O ATOM 0 H ASP A 96 -1.620 -10.270 10.966 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.121 -10.671 9.504 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.467 -9.284 11.105 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.957 -10.777 11.867 1.00 0.00 H new ATOM 1517 N THR A 97 -4.016 -8.058 9.021 1.00 0.00 N ATOM 1518 CA THR A 97 -3.576 -6.762 8.435 1.00 0.00 C ATOM 1519 C THR A 97 -4.410 -5.618 9.011 1.00 0.00 C ATOM 1520 O THR A 97 -5.536 -5.390 8.616 1.00 0.00 O ATOM 1521 CB THR A 97 -3.803 -6.891 6.927 1.00 0.00 C ATOM 1522 OG1 THR A 97 -3.826 -8.264 6.560 1.00 0.00 O ATOM 1523 CG2 THR A 97 -2.669 -6.183 6.187 1.00 0.00 C ATOM 0 H THR A 97 -4.994 -8.302 8.865 1.00 0.00 H new ATOM 0 HA THR A 97 -2.532 -6.544 8.662 1.00 0.00 H new ATOM 0 HB THR A 97 -4.757 -6.435 6.662 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.973 -8.342 5.594 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.825 -6.271 5.112 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.654 -5.129 6.466 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.717 -6.642 6.454 1.00 0.00 H new ATOM 1531 N CYS A 98 -3.848 -4.892 9.937 1.00 0.00 N ATOM 1532 CA CYS A 98 -4.576 -3.744 10.547 1.00 0.00 C ATOM 1533 C CYS A 98 -3.590 -2.602 10.773 1.00 0.00 C ATOM 1534 O CYS A 98 -2.495 -2.812 11.259 1.00 0.00 O ATOM 1535 CB CYS A 98 -5.110 -4.271 11.880 1.00 0.00 C ATOM 1536 SG CYS A 98 -6.445 -3.197 12.461 1.00 0.00 S ATOM 0 H CYS A 98 -2.907 -5.046 10.300 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.384 -3.367 9.920 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -5.475 -5.291 11.760 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.308 -4.304 12.618 1.00 0.00 H new ATOM 0 HG CYS A 98 -6.901 -3.645 13.593 1.00 0.00 H new ATOM 1542 N LEU A 99 -3.947 -1.399 10.418 1.00 0.00 N ATOM 1543 CA LEU A 99 -2.996 -0.273 10.613 1.00 0.00 C ATOM 1544 C LEU A 99 -3.717 0.995 11.071 1.00 0.00 C ATOM 1545 O LEU A 99 -4.713 1.399 10.504 1.00 0.00 O ATOM 1546 CB LEU A 99 -2.349 -0.069 9.236 1.00 0.00 C ATOM 1547 CG LEU A 99 -1.274 1.028 9.288 1.00 0.00 C ATOM 1548 CD1 LEU A 99 -1.936 2.405 9.242 1.00 0.00 C ATOM 1549 CD2 LEU A 99 -0.447 0.902 10.573 1.00 0.00 C ATOM 0 H LEU A 99 -4.846 -1.150 10.006 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.262 -0.491 11.389 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.903 -1.004 8.898 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.114 0.201 8.508 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.615 0.911 8.428 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.169 3.179 9.279 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.507 2.504 8.319 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.605 2.516 10.095 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.311 1.685 10.596 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.102 1.004 11.438 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.039 -0.073 10.599 1.00 0.00 H new ATOM 1561 N MET A 100 -3.198 1.633 12.083 1.00 0.00 N ATOM 1562 CA MET A 100 -3.812 2.894 12.578 1.00 0.00 C ATOM 1563 C MET A 100 -2.696 3.877 12.940 1.00 0.00 C ATOM 1564 O MET A 100 -1.733 3.518 13.588 1.00 0.00 O ATOM 1565 CB MET A 100 -4.606 2.492 13.822 1.00 0.00 C ATOM 1566 CG MET A 100 -5.584 3.610 14.189 1.00 0.00 C ATOM 1567 SD MET A 100 -6.704 3.030 15.485 1.00 0.00 S ATOM 1568 CE MET A 100 -7.704 1.934 14.447 1.00 0.00 C ATOM 0 H MET A 100 -2.367 1.331 12.592 1.00 0.00 H new ATOM 0 HA MET A 100 -4.453 3.376 11.840 1.00 0.00 H new ATOM 0 HB2 MET A 100 -5.150 1.566 13.635 1.00 0.00 H new ATOM 0 HB3 MET A 100 -3.927 2.301 14.653 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.037 4.488 14.532 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.153 3.913 13.310 1.00 0.00 H new ATOM 0 HE1 MET A 100 -8.758 2.059 14.696 1.00 0.00 H new ATOM 0 HE2 MET A 100 -7.547 2.184 13.398 1.00 0.00 H new ATOM 0 HE3 MET A 100 -7.410 0.899 14.622 1.00 0.00 H new ATOM 1578 N VAL A 101 -2.810 5.108 12.519 1.00 0.00 N ATOM 1579 CA VAL A 101 -1.739 6.098 12.837 1.00 0.00 C ATOM 1580 C VAL A 101 -2.353 7.460 13.164 1.00 0.00 C ATOM 1581 O VAL A 101 -2.938 8.107 12.318 1.00 0.00 O ATOM 1582 CB VAL A 101 -0.897 6.177 11.561 1.00 0.00 C ATOM 1583 CG1 VAL A 101 0.241 7.182 11.748 1.00 0.00 C ATOM 1584 CG2 VAL A 101 -0.305 4.800 11.255 1.00 0.00 C ATOM 0 H VAL A 101 -3.592 5.470 11.973 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.146 5.807 13.704 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.532 6.499 10.735 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.835 7.232 10.836 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.175 8.166 11.965 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.874 6.865 12.577 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.295 4.855 10.346 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.324 4.482 12.086 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.111 4.080 11.114 1.00 0.00 H new ATOM 1594 N LEU A 102 -2.220 7.898 14.386 1.00 0.00 N ATOM 1595 CA LEU A 102 -2.791 9.221 14.772 1.00 0.00 C ATOM 1596 C LEU A 102 -1.912 9.896 15.829 1.00 0.00 C ATOM 1597 O LEU A 102 -0.953 9.326 16.313 1.00 0.00 O ATOM 1598 CB LEU A 102 -4.182 8.912 15.333 1.00 0.00 C ATOM 1599 CG LEU A 102 -4.067 7.934 16.503 1.00 0.00 C ATOM 1600 CD1 LEU A 102 -5.248 8.144 17.453 1.00 0.00 C ATOM 1601 CD2 LEU A 102 -4.094 6.499 15.974 1.00 0.00 C ATOM 0 H LEU A 102 -1.741 7.397 15.134 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.842 9.907 13.927 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.663 9.833 15.663 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.812 8.486 14.552 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.131 8.109 17.034 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.171 7.449 18.289 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.235 9.167 17.829 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.181 7.966 16.918 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -4.012 5.802 16.808 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.031 6.324 15.445 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.258 6.347 15.291 1.00 0.00 H new ATOM 1613 N GLN A 103 -2.238 11.107 16.195 1.00 0.00 N ATOM 1614 CA GLN A 103 -1.432 11.824 17.224 1.00 0.00 C ATOM 1615 C GLN A 103 -1.823 11.341 18.624 1.00 0.00 C ATOM 1616 O GLN A 103 -2.716 10.532 18.778 1.00 0.00 O ATOM 1617 CB GLN A 103 -1.786 13.302 17.045 1.00 0.00 C ATOM 1618 CG GLN A 103 -0.695 14.169 17.678 1.00 0.00 C ATOM 1619 CD GLN A 103 -0.756 15.581 17.089 1.00 0.00 C ATOM 1620 OE1 GLN A 103 -1.785 16.003 16.599 1.00 0.00 O ATOM 1621 NE2 GLN A 103 0.311 16.332 17.114 1.00 0.00 N ATOM 0 H GLN A 103 -3.030 11.632 15.824 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.362 11.647 17.113 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -1.883 13.538 15.985 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -2.749 13.515 17.509 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.829 14.209 18.759 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.285 13.729 17.494 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.175 15.978 17.525 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.281 17.273 16.722 1.00 0.00 H new ATOM 1630 N SER A 104 -1.151 11.824 19.639 1.00 0.00 N ATOM 1631 CA SER A 104 -1.470 11.392 21.039 1.00 0.00 C ATOM 1632 C SER A 104 -2.985 11.369 21.273 1.00 0.00 C ATOM 1633 O SER A 104 -3.752 11.914 20.504 1.00 0.00 O ATOM 1634 CB SER A 104 -0.809 12.440 21.935 1.00 0.00 C ATOM 1635 OG SER A 104 -1.163 13.739 21.478 1.00 0.00 O ATOM 0 H SER A 104 -0.392 12.501 19.560 1.00 0.00 H new ATOM 0 HA SER A 104 -1.109 10.384 21.244 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.129 12.306 22.968 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.274 12.319 21.918 1.00 0.00 H new ATOM 0 HG SER A 104 -0.742 14.413 22.051 1.00 0.00 H new ATOM 1641 N GLY A 105 -3.418 10.733 22.328 1.00 0.00 N ATOM 1642 CA GLY A 105 -4.882 10.660 22.610 1.00 0.00 C ATOM 1643 C GLY A 105 -5.458 9.410 21.943 1.00 0.00 C ATOM 1644 O GLY A 105 -6.016 9.471 20.863 1.00 0.00 O ATOM 0 H GLY A 105 -2.822 10.260 23.007 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.057 10.627 23.685 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.383 11.552 22.233 1.00 0.00 H new ATOM 1648 N GLN A 106 -5.319 8.275 22.573 1.00 0.00 N ATOM 1649 CA GLN A 106 -5.847 7.012 21.980 1.00 0.00 C ATOM 1650 C GLN A 106 -7.356 6.899 22.211 1.00 0.00 C ATOM 1651 O GLN A 106 -7.845 7.127 23.301 1.00 0.00 O ATOM 1652 CB GLN A 106 -5.108 5.894 22.717 1.00 0.00 C ATOM 1653 CG GLN A 106 -5.532 4.537 22.149 1.00 0.00 C ATOM 1654 CD GLN A 106 -5.214 3.439 23.166 1.00 0.00 C ATOM 1655 OE1 GLN A 106 -4.094 2.778 23.068 1.00 0.00 O flip ATOM 1656 NE2 GLN A 106 -5.995 3.180 24.060 1.00 0.00 N flip ATOM 0 H GLN A 106 -4.860 8.167 23.478 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.691 6.968 20.902 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.031 6.024 22.610 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.330 5.939 23.783 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.598 4.542 21.924 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.009 4.343 21.212 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.871 3.697 24.137 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -5.774 2.446 24.733 1.00 0.00 H new ATOM 1665 N SER A 107 -8.093 6.542 21.194 1.00 0.00 N ATOM 1666 CA SER A 107 -9.570 6.407 21.351 1.00 0.00 C ATOM 1667 C SER A 107 -10.073 5.185 20.579 1.00 0.00 C ATOM 1668 O SER A 107 -9.675 4.940 19.456 1.00 0.00 O ATOM 1669 CB SER A 107 -10.159 7.688 20.761 1.00 0.00 C ATOM 1670 OG SER A 107 -9.306 8.784 21.064 1.00 0.00 O ATOM 0 H SER A 107 -7.736 6.338 20.261 1.00 0.00 H new ATOM 0 HA SER A 107 -9.859 6.271 22.393 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.269 7.587 19.681 1.00 0.00 H new ATOM 0 HB3 SER A 107 -11.155 7.865 21.168 1.00 0.00 H new ATOM 0 HG SER A 107 -9.682 9.606 20.685 1.00 0.00 H new