USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=13 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 Set 1.1: A 43 HIS : no HD1:sc= -0.362 X(o=-3.2,f=-3) USER MOD Set 1.2: A 106 GLN : amide:sc= -2.88 K(o=-3.2,f=-4.1!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 41 CYS SG : rot 180:sc= -1.2 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -115:sc= -3.41 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 20:sc= 0.325 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.689 USER MOD Single : A 57 GLN : amide:sc=-0.00302 X(o=-0.003,f=0) 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= -1.13 K(o=-1.1,f=-5.8!) USER MOD Single : A 74 THR OG1 : rot 31:sc= 0.166 USER MOD Single : A 82 THR OG1 : rot 180:sc=-0.00932 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -1.38 X(o=-1.4,f=-1.1) 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 156:sc= -0.175 (180deg=-0.975) USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 104 SER OG : rot 180:sc= 0.0283 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 525 N GLN A 35 7.259 -10.596 -1.869 1.00 0.00 N ATOM 526 CA GLN A 35 6.234 -9.510 -1.875 1.00 0.00 C ATOM 527 C GLN A 35 4.900 -10.045 -1.347 1.00 0.00 C ATOM 528 O GLN A 35 4.454 -11.110 -1.723 1.00 0.00 O ATOM 529 CB GLN A 35 6.103 -9.091 -3.339 1.00 0.00 C ATOM 530 CG GLN A 35 5.422 -7.724 -3.419 1.00 0.00 C ATOM 531 CD GLN A 35 5.473 -7.209 -4.858 1.00 0.00 C ATOM 532 OE1 GLN A 35 6.540 -7.033 -5.415 1.00 0.00 O ATOM 533 NE2 GLN A 35 4.359 -6.957 -5.489 1.00 0.00 N ATOM 0 HA GLN A 35 6.517 -8.671 -1.239 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.087 -9.047 -3.805 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.523 -9.831 -3.890 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.387 -7.802 -3.086 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.919 -7.019 -2.752 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.464 -7.104 -5.022 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.383 -6.613 -6.449 1.00 0.00 H new ATOM 542 N ARG A 36 4.261 -9.310 -0.475 1.00 0.00 N ATOM 543 CA ARG A 36 2.957 -9.771 0.081 1.00 0.00 C ATOM 544 C ARG A 36 1.964 -8.603 0.138 1.00 0.00 C ATOM 545 O ARG A 36 2.324 -7.508 0.521 1.00 0.00 O ATOM 546 CB ARG A 36 3.284 -10.265 1.492 1.00 0.00 C ATOM 547 CG ARG A 36 2.153 -11.162 1.998 1.00 0.00 C ATOM 548 CD ARG A 36 2.210 -12.514 1.280 1.00 0.00 C ATOM 549 NE ARG A 36 2.652 -13.484 2.320 1.00 0.00 N ATOM 550 CZ ARG A 36 3.823 -14.054 2.225 1.00 0.00 C ATOM 551 NH1 ARG A 36 4.173 -14.647 1.117 1.00 0.00 N ATOM 552 NH2 ARG A 36 4.642 -14.031 3.239 1.00 0.00 N ATOM 0 H ARG A 36 4.587 -8.409 -0.124 1.00 0.00 H new ATOM 0 HA ARG A 36 2.498 -10.549 -0.529 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.224 -10.817 1.486 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.417 -9.417 2.163 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.244 -11.306 3.075 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.189 -10.685 1.820 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.236 -12.787 0.874 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.908 -12.487 0.443 1.00 0.00 H new ATOM 0 HE ARG A 36 2.040 -13.703 3.106 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.532 -14.666 0.324 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.088 -15.092 1.044 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.368 -13.568 4.106 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.557 -14.476 3.166 1.00 0.00 H new ATOM 566 N PRO A 37 0.738 -8.871 -0.244 1.00 0.00 N ATOM 567 CA PRO A 37 -0.304 -7.815 -0.228 1.00 0.00 C ATOM 568 C PRO A 37 -0.712 -7.491 1.211 1.00 0.00 C ATOM 569 O PRO A 37 -1.290 -8.307 1.901 1.00 0.00 O ATOM 570 CB PRO A 37 -1.465 -8.443 -0.993 1.00 0.00 C ATOM 571 CG PRO A 37 -1.272 -9.918 -0.849 1.00 0.00 C ATOM 572 CD PRO A 37 0.210 -10.159 -0.719 1.00 0.00 C ATOM 0 HA PRO A 37 0.031 -6.876 -0.669 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.424 -8.129 -0.582 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.454 -8.144 -2.041 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.802 -10.292 0.027 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.674 -10.446 -1.714 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.424 -10.963 -0.014 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.653 -10.445 -1.673 1.00 0.00 H new ATOM 580 N PHE A 38 -0.413 -6.304 1.669 1.00 0.00 N ATOM 581 CA PHE A 38 -0.782 -5.926 3.065 1.00 0.00 C ATOM 582 C PHE A 38 -1.973 -4.966 3.054 1.00 0.00 C ATOM 583 O PHE A 38 -1.881 -3.851 2.575 1.00 0.00 O ATOM 584 CB PHE A 38 0.460 -5.235 3.628 1.00 0.00 C ATOM 585 CG PHE A 38 1.465 -6.275 4.060 1.00 0.00 C ATOM 586 CD1 PHE A 38 1.249 -7.016 5.228 1.00 0.00 C ATOM 587 CD2 PHE A 38 2.614 -6.498 3.293 1.00 0.00 C ATOM 588 CE1 PHE A 38 2.181 -7.981 5.628 1.00 0.00 C ATOM 589 CE2 PHE A 38 3.547 -7.463 3.694 1.00 0.00 C ATOM 590 CZ PHE A 38 3.330 -8.204 4.862 1.00 0.00 C ATOM 0 H PHE A 38 0.070 -5.580 1.137 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.075 -6.788 3.664 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.899 -4.582 2.874 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.186 -4.605 4.475 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.363 -6.843 5.821 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.781 -5.926 2.392 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.013 -8.553 6.528 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.434 -7.635 3.102 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.050 -8.948 5.171 1.00 0.00 H new ATOM 600 N ARG A 39 -3.091 -5.386 3.583 1.00 0.00 N ATOM 601 CA ARG A 39 -4.288 -4.496 3.608 1.00 0.00 C ATOM 602 C ARG A 39 -4.166 -3.488 4.753 1.00 0.00 C ATOM 603 O ARG A 39 -4.235 -3.842 5.915 1.00 0.00 O ATOM 604 CB ARG A 39 -5.475 -5.434 3.838 1.00 0.00 C ATOM 605 CG ARG A 39 -6.724 -4.856 3.168 1.00 0.00 C ATOM 606 CD ARG A 39 -7.938 -5.722 3.514 1.00 0.00 C ATOM 607 NE ARG A 39 -8.736 -5.787 2.258 1.00 0.00 N ATOM 608 CZ ARG A 39 -8.857 -6.921 1.621 1.00 0.00 C ATOM 609 NH1 ARG A 39 -9.745 -7.795 2.010 1.00 0.00 N ATOM 610 NH2 ARG A 39 -8.093 -7.178 0.595 1.00 0.00 N ATOM 0 H ARG A 39 -3.227 -6.307 3.999 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.399 -3.921 2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.256 -6.421 3.431 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.649 -5.561 4.906 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.888 -3.832 3.503 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.586 -4.820 2.087 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.633 -6.717 3.840 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.517 -5.284 4.327 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.187 -4.947 1.896 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.344 -7.592 2.811 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.840 -8.681 1.513 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.401 -6.493 0.290 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.188 -8.064 0.098 1.00 0.00 H new ATOM 624 N VAL A 40 -3.977 -2.234 4.433 1.00 0.00 N ATOM 625 CA VAL A 40 -3.842 -1.199 5.499 1.00 0.00 C ATOM 626 C VAL A 40 -5.113 -0.348 5.575 1.00 0.00 C ATOM 627 O VAL A 40 -5.749 -0.077 4.575 1.00 0.00 O ATOM 628 CB VAL A 40 -2.646 -0.346 5.071 1.00 0.00 C ATOM 629 CG1 VAL A 40 -2.378 0.730 6.127 1.00 0.00 C ATOM 630 CG2 VAL A 40 -1.409 -1.237 4.926 1.00 0.00 C ATOM 0 H VAL A 40 -3.910 -1.882 3.478 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.697 -1.637 6.486 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.866 0.131 4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.526 1.336 5.820 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.257 1.366 6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.160 0.255 7.083 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.557 -0.630 4.621 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.191 -1.715 5.881 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.598 -2.002 4.172 1.00 0.00 H new ATOM 640 N CYS A 41 -5.483 0.076 6.753 1.00 0.00 N ATOM 641 CA CYS A 41 -6.712 0.909 6.895 1.00 0.00 C ATOM 642 C CYS A 41 -6.420 2.139 7.759 1.00 0.00 C ATOM 643 O CYS A 41 -5.513 2.138 8.569 1.00 0.00 O ATOM 644 CB CYS A 41 -7.728 0.000 7.588 1.00 0.00 C ATOM 645 SG CYS A 41 -8.085 -1.426 6.530 1.00 0.00 S ATOM 0 H CYS A 41 -4.988 -0.118 7.623 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.077 1.273 5.935 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.336 -0.335 8.548 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.645 0.552 7.793 1.00 0.00 H new ATOM 0 HG CYS A 41 -8.947 -2.199 7.120 1.00 0.00 H new ATOM 651 N ASP A 42 -7.183 3.186 7.596 1.00 0.00 N ATOM 652 CA ASP A 42 -6.951 4.413 8.411 1.00 0.00 C ATOM 653 C ASP A 42 -7.834 4.384 9.661 1.00 0.00 C ATOM 654 O ASP A 42 -8.603 3.464 9.860 1.00 0.00 O ATOM 655 CB ASP A 42 -7.330 5.582 7.504 1.00 0.00 C ATOM 656 CG ASP A 42 -6.479 6.800 7.872 1.00 0.00 C ATOM 657 OD1 ASP A 42 -6.333 7.061 9.053 1.00 0.00 O ATOM 658 OD2 ASP A 42 -5.988 7.450 6.964 1.00 0.00 O ATOM 0 H ASP A 42 -7.957 3.245 6.934 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.919 4.493 8.752 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.171 5.314 6.460 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.389 5.816 7.615 1.00 0.00 H new ATOM 663 N HIS A 43 -7.705 5.371 10.516 1.00 0.00 N ATOM 664 CA HIS A 43 -8.511 5.408 11.779 1.00 0.00 C ATOM 665 C HIS A 43 -9.923 4.821 11.581 1.00 0.00 C ATOM 666 O HIS A 43 -10.145 3.650 11.827 1.00 0.00 O ATOM 667 CB HIS A 43 -8.584 6.893 12.148 1.00 0.00 C ATOM 668 CG HIS A 43 -9.379 7.063 13.413 1.00 0.00 C ATOM 669 ND1 HIS A 43 -8.851 6.782 14.663 1.00 0.00 N ATOM 670 CD2 HIS A 43 -10.668 7.484 13.637 1.00 0.00 C ATOM 671 CE1 HIS A 43 -9.808 7.035 15.575 1.00 0.00 C ATOM 672 NE2 HIS A 43 -10.935 7.465 15.002 1.00 0.00 N ATOM 0 H HIS A 43 -7.070 6.160 10.392 1.00 0.00 H new ATOM 0 HA HIS A 43 -8.054 4.803 12.562 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.579 7.294 12.282 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.047 7.457 11.338 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.367 7.784 12.870 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.680 6.906 16.640 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -11.806 7.724 15.466 1.00 0.00 H new ATOM 680 N LYS A 44 -10.881 5.610 11.155 1.00 0.00 N ATOM 681 CA LYS A 44 -12.257 5.054 10.971 1.00 0.00 C ATOM 682 C LYS A 44 -12.476 4.560 9.534 1.00 0.00 C ATOM 683 O LYS A 44 -12.593 3.374 9.292 1.00 0.00 O ATOM 684 CB LYS A 44 -13.193 6.221 11.286 1.00 0.00 C ATOM 685 CG LYS A 44 -14.650 5.760 11.168 1.00 0.00 C ATOM 686 CD LYS A 44 -14.990 4.826 12.332 1.00 0.00 C ATOM 687 CE LYS A 44 -15.755 5.600 13.406 1.00 0.00 C ATOM 688 NZ LYS A 44 -16.199 4.570 14.383 1.00 0.00 N ATOM 0 H LYS A 44 -10.772 6.599 10.930 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.432 4.192 11.614 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.000 6.594 12.292 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.006 7.046 10.599 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.316 6.623 11.174 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.803 5.246 10.219 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.590 3.989 11.976 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.076 4.407 12.753 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.119 6.347 13.882 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.606 6.131 12.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.732 5.027 15.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.808 3.877 13.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.368 4.086 14.779 1.00 0.00 H new ATOM 702 N ARG A 45 -12.544 5.455 8.583 1.00 0.00 N ATOM 703 CA ARG A 45 -12.768 5.023 7.168 1.00 0.00 C ATOM 704 C ARG A 45 -12.187 6.040 6.174 1.00 0.00 C ATOM 705 O ARG A 45 -12.515 6.020 5.005 1.00 0.00 O ATOM 706 CB ARG A 45 -14.287 4.942 7.021 1.00 0.00 C ATOM 707 CG ARG A 45 -14.648 3.908 5.954 1.00 0.00 C ATOM 708 CD ARG A 45 -16.126 4.050 5.581 1.00 0.00 C ATOM 709 NE ARG A 45 -16.873 3.684 6.817 1.00 0.00 N ATOM 710 CZ ARG A 45 -18.154 3.443 6.757 1.00 0.00 C ATOM 711 NH1 ARG A 45 -18.958 4.315 6.213 1.00 0.00 N ATOM 712 NH2 ARG A 45 -18.632 2.328 7.238 1.00 0.00 N ATOM 0 H ARG A 45 -12.455 6.462 8.722 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.276 4.074 6.954 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.740 4.669 7.974 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.688 5.918 6.746 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.025 4.049 5.071 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.451 2.903 6.326 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.358 5.068 5.267 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.389 3.393 4.752 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.383 3.622 7.710 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.585 5.186 5.834 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -19.959 4.126 6.166 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -18.004 1.644 7.661 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -19.633 2.140 7.191 1.00 0.00 H new ATOM 726 N THR A 46 -11.347 6.933 6.623 1.00 0.00 N ATOM 727 CA THR A 46 -10.777 7.952 5.688 1.00 0.00 C ATOM 728 C THR A 46 -10.048 7.271 4.522 1.00 0.00 C ATOM 729 O THR A 46 -10.277 7.589 3.372 1.00 0.00 O ATOM 730 CB THR A 46 -9.799 8.772 6.530 1.00 0.00 C ATOM 731 OG1 THR A 46 -8.777 7.924 7.023 1.00 0.00 O ATOM 732 CG2 THR A 46 -10.544 9.416 7.700 1.00 0.00 C ATOM 0 H THR A 46 -11.031 7.003 7.590 1.00 0.00 H new ATOM 0 HA THR A 46 -11.555 8.576 5.247 1.00 0.00 H new ATOM 0 HB THR A 46 -9.355 9.554 5.914 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.833 7.879 8.000 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.845 10.000 8.299 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.328 10.069 7.317 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.991 8.638 8.319 1.00 0.00 H new ATOM 740 N ILE A 47 -9.167 6.350 4.807 1.00 0.00 N ATOM 741 CA ILE A 47 -8.425 5.662 3.707 1.00 0.00 C ATOM 742 C ILE A 47 -8.359 4.153 3.963 1.00 0.00 C ATOM 743 O ILE A 47 -7.888 3.707 4.990 1.00 0.00 O ATOM 744 CB ILE A 47 -7.021 6.273 3.734 1.00 0.00 C ATOM 745 CG1 ILE A 47 -7.117 7.788 3.529 1.00 0.00 C ATOM 746 CG2 ILE A 47 -6.177 5.664 2.613 1.00 0.00 C ATOM 747 CD1 ILE A 47 -5.735 8.417 3.703 1.00 0.00 C ATOM 0 H ILE A 47 -8.928 6.044 5.750 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.911 5.794 2.741 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.555 6.064 4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.505 8.007 2.534 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.817 8.219 4.245 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.178 6.099 2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.106 4.586 2.756 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.645 5.873 1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.805 9.495 3.557 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.365 8.210 4.707 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.048 7.995 2.969 1.00 0.00 H new ATOM 759 N ARG A 48 -8.830 3.366 3.030 1.00 0.00 N ATOM 760 CA ARG A 48 -8.797 1.884 3.207 1.00 0.00 C ATOM 761 C ARG A 48 -8.429 1.204 1.885 1.00 0.00 C ATOM 762 O ARG A 48 -9.270 0.997 1.029 1.00 0.00 O ATOM 763 CB ARG A 48 -10.218 1.506 3.629 1.00 0.00 C ATOM 764 CG ARG A 48 -10.293 0.000 3.890 1.00 0.00 C ATOM 765 CD ARG A 48 -11.748 -0.405 4.139 1.00 0.00 C ATOM 766 NE ARG A 48 -12.386 -0.396 2.795 1.00 0.00 N ATOM 767 CZ ARG A 48 -13.668 -0.175 2.681 1.00 0.00 C ATOM 768 NH1 ARG A 48 -14.503 -0.728 3.519 1.00 0.00 N ATOM 769 NH2 ARG A 48 -14.115 0.597 1.731 1.00 0.00 N ATOM 0 H ARG A 48 -9.237 3.687 2.151 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.056 1.570 3.943 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.500 2.055 4.527 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.926 1.786 2.849 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -9.893 -0.548 3.037 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.679 -0.261 4.752 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.810 -1.391 4.599 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.242 0.293 4.815 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.822 -0.563 1.962 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.154 -1.333 4.263 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -15.504 -0.555 3.430 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -13.463 1.029 1.076 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -15.116 0.769 1.643 1.00 0.00 H new ATOM 783 N LYS A 49 -7.181 0.859 1.707 1.00 0.00 N ATOM 784 CA LYS A 49 -6.763 0.196 0.436 1.00 0.00 C ATOM 785 C LYS A 49 -5.750 -0.917 0.726 1.00 0.00 C ATOM 786 O LYS A 49 -5.090 -0.917 1.748 1.00 0.00 O ATOM 787 CB LYS A 49 -6.121 1.307 -0.398 1.00 0.00 C ATOM 788 CG LYS A 49 -5.651 0.741 -1.741 1.00 0.00 C ATOM 789 CD LYS A 49 -6.864 0.268 -2.552 1.00 0.00 C ATOM 790 CE LYS A 49 -6.964 1.076 -3.849 1.00 0.00 C ATOM 791 NZ LYS A 49 -6.488 0.152 -4.916 1.00 0.00 N ATOM 0 H LYS A 49 -6.434 1.007 2.385 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.601 -0.269 -0.083 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.838 2.111 -0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.277 1.738 0.141 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.104 1.502 -2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.964 -0.089 -1.577 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.770 -0.794 -2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.775 0.389 -1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.988 1.399 -4.035 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.350 1.975 -3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.527 0.635 -5.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.508 -0.134 -4.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.096 -0.691 -4.941 1.00 0.00 H new ATOM 805 N GLY A 50 -5.624 -1.863 -0.166 1.00 0.00 N ATOM 806 CA GLY A 50 -4.656 -2.974 0.054 1.00 0.00 C ATOM 807 C GLY A 50 -3.568 -2.928 -1.020 1.00 0.00 C ATOM 808 O GLY A 50 -3.791 -3.293 -2.158 1.00 0.00 O ATOM 0 H GLY A 50 -6.151 -1.913 -1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.208 -2.888 1.044 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.174 -3.933 0.020 1.00 0.00 H new ATOM 812 N LEU A 51 -2.393 -2.479 -0.668 1.00 0.00 N ATOM 813 CA LEU A 51 -1.289 -2.406 -1.668 1.00 0.00 C ATOM 814 C LEU A 51 -0.199 -3.428 -1.326 1.00 0.00 C ATOM 815 O LEU A 51 -0.129 -3.927 -0.220 1.00 0.00 O ATOM 816 CB LEU A 51 -0.742 -0.981 -1.554 1.00 0.00 C ATOM 817 CG LEU A 51 -1.844 0.018 -1.910 1.00 0.00 C ATOM 818 CD1 LEU A 51 -1.678 1.283 -1.070 1.00 0.00 C ATOM 819 CD2 LEU A 51 -1.743 0.377 -3.395 1.00 0.00 C ATOM 0 H LEU A 51 -2.150 -2.159 0.270 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.631 -2.631 -2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.383 -0.798 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.110 -0.852 -2.222 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.818 -0.427 -1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.464 1.994 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.747 1.029 -0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.705 1.730 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.527 1.089 -3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.769 0.822 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.861 -0.525 -3.996 1.00 0.00 H new ATOM 831 N THR A 52 0.648 -3.743 -2.269 1.00 0.00 N ATOM 832 CA THR A 52 1.734 -4.732 -1.999 1.00 0.00 C ATOM 833 C THR A 52 2.888 -4.061 -1.251 1.00 0.00 C ATOM 834 O THR A 52 3.343 -2.995 -1.621 1.00 0.00 O ATOM 835 CB THR A 52 2.194 -5.209 -3.378 1.00 0.00 C ATOM 836 OG1 THR A 52 2.675 -4.099 -4.129 1.00 0.00 O ATOM 837 CG2 THR A 52 1.022 -5.865 -4.115 1.00 0.00 C ATOM 0 H THR A 52 0.636 -3.359 -3.214 1.00 0.00 H new ATOM 0 HA THR A 52 1.391 -5.559 -1.377 1.00 0.00 H new ATOM 0 HB THR A 52 2.995 -5.939 -3.260 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.896 -3.363 -3.520 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.353 -6.204 -5.097 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.662 -6.718 -3.540 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.216 -5.141 -4.234 1.00 0.00 H new ATOM 845 N ALA A 53 3.364 -4.677 -0.202 1.00 0.00 N ATOM 846 CA ALA A 53 4.492 -4.076 0.573 1.00 0.00 C ATOM 847 C ALA A 53 5.492 -5.161 0.976 1.00 0.00 C ATOM 848 O ALA A 53 5.128 -6.179 1.533 1.00 0.00 O ATOM 849 CB ALA A 53 3.839 -3.459 1.812 1.00 0.00 C ATOM 0 H ALA A 53 3.022 -5.570 0.153 1.00 0.00 H new ATOM 0 HA ALA A 53 5.043 -3.336 -0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.605 -2.996 2.434 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.116 -2.704 1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.331 -4.237 2.381 1.00 0.00 H new ATOM 855 N ALA A 54 6.750 -4.951 0.700 1.00 0.00 N ATOM 856 CA ALA A 54 7.779 -5.968 1.068 1.00 0.00 C ATOM 857 C ALA A 54 8.993 -5.285 1.701 1.00 0.00 C ATOM 858 O ALA A 54 9.843 -4.749 1.016 1.00 0.00 O ATOM 859 CB ALA A 54 8.165 -6.634 -0.253 1.00 0.00 C ATOM 0 H ALA A 54 7.111 -4.118 0.235 1.00 0.00 H new ATOM 0 HA ALA A 54 7.407 -6.690 1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.921 -7.398 -0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.284 -7.096 -0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.566 -5.884 -0.935 1.00 0.00 H new ATOM 865 N THR A 55 9.082 -5.299 3.005 1.00 0.00 N ATOM 866 CA THR A 55 10.240 -4.650 3.684 1.00 0.00 C ATOM 867 C THR A 55 10.489 -5.308 5.046 1.00 0.00 C ATOM 868 O THR A 55 9.581 -5.816 5.674 1.00 0.00 O ATOM 869 CB THR A 55 9.834 -3.186 3.855 1.00 0.00 C ATOM 870 OG1 THR A 55 9.157 -2.743 2.686 1.00 0.00 O ATOM 871 CG2 THR A 55 11.082 -2.333 4.075 1.00 0.00 C ATOM 0 H THR A 55 8.402 -5.733 3.629 1.00 0.00 H new ATOM 0 HA THR A 55 11.163 -4.748 3.112 1.00 0.00 H new ATOM 0 HB THR A 55 9.173 -3.091 4.716 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.895 -1.805 2.795 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.792 -1.289 4.197 1.00 0.00 H new ATOM 0 HG22 THR A 55 11.601 -2.673 4.971 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.744 -2.428 3.214 1.00 0.00 H new ATOM 879 N ARG A 56 11.714 -5.311 5.502 1.00 0.00 N ATOM 880 CA ARG A 56 12.026 -5.947 6.815 1.00 0.00 C ATOM 881 C ARG A 56 11.907 -4.931 7.960 1.00 0.00 C ATOM 882 O ARG A 56 10.940 -4.927 8.697 1.00 0.00 O ATOM 883 CB ARG A 56 13.465 -6.450 6.677 1.00 0.00 C ATOM 884 CG ARG A 56 13.908 -7.121 7.980 1.00 0.00 C ATOM 885 CD ARG A 56 15.429 -7.296 7.976 1.00 0.00 C ATOM 886 NE ARG A 56 15.948 -6.196 8.837 1.00 0.00 N ATOM 887 CZ ARG A 56 17.232 -5.969 8.903 1.00 0.00 C ATOM 888 NH1 ARG A 56 18.025 -6.855 9.437 1.00 0.00 N ATOM 889 NH2 ARG A 56 17.721 -4.854 8.433 1.00 0.00 N ATOM 0 H ARG A 56 12.513 -4.899 5.020 1.00 0.00 H new ATOM 0 HA ARG A 56 11.332 -6.753 7.053 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.535 -7.158 5.851 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.129 -5.619 6.441 1.00 0.00 H new ATOM 0 HG2 ARG A 56 13.604 -6.516 8.834 1.00 0.00 H new ATOM 0 HG3 ARG A 56 13.421 -8.090 8.086 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.715 -8.272 8.368 1.00 0.00 H new ATOM 0 HD3 ARG A 56 15.831 -7.229 6.965 1.00 0.00 H new ATOM 0 HE ARG A 56 15.300 -5.620 9.375 1.00 0.00 H new ATOM 0 HH11 ARG A 56 17.643 -7.727 9.804 1.00 0.00 H new ATOM 0 HH12 ARG A 56 19.028 -6.677 9.488 1.00 0.00 H new ATOM 0 HH21 ARG A 56 17.100 -4.161 8.015 1.00 0.00 H new ATOM 0 HH22 ARG A 56 18.724 -4.675 8.484 1.00 0.00 H new ATOM 903 N GLN A 57 12.888 -4.081 8.125 1.00 0.00 N ATOM 904 CA GLN A 57 12.837 -3.081 9.235 1.00 0.00 C ATOM 905 C GLN A 57 12.162 -1.784 8.775 1.00 0.00 C ATOM 906 O GLN A 57 11.328 -1.233 9.468 1.00 0.00 O ATOM 907 CB GLN A 57 14.300 -2.823 9.597 1.00 0.00 C ATOM 908 CG GLN A 57 14.372 -1.874 10.795 1.00 0.00 C ATOM 909 CD GLN A 57 15.785 -1.902 11.383 1.00 0.00 C ATOM 910 OE1 GLN A 57 15.955 -2.025 12.580 1.00 0.00 O ATOM 911 NE2 GLN A 57 16.812 -1.791 10.586 1.00 0.00 N ATOM 0 H GLN A 57 13.722 -4.036 7.540 1.00 0.00 H new ATOM 0 HA GLN A 57 12.257 -3.445 10.083 1.00 0.00 H new ATOM 0 HB2 GLN A 57 14.798 -3.763 9.834 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.825 -2.391 8.745 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.115 -0.861 10.486 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.646 -2.170 11.552 1.00 0.00 H new ATOM 0 HE21 GLN A 57 16.669 -1.688 9.581 1.00 0.00 H new ATOM 0 HE22 GLN A 57 17.758 -1.807 10.968 1.00 0.00 H new ATOM 920 N GLU A 58 12.519 -1.291 7.620 1.00 0.00 N ATOM 921 CA GLU A 58 11.902 -0.024 7.125 1.00 0.00 C ATOM 922 C GLU A 58 10.387 -0.191 6.943 1.00 0.00 C ATOM 923 O GLU A 58 9.664 0.777 6.800 1.00 0.00 O ATOM 924 CB GLU A 58 12.582 0.255 5.783 1.00 0.00 C ATOM 925 CG GLU A 58 12.068 1.580 5.214 1.00 0.00 C ATOM 926 CD GLU A 58 12.633 1.786 3.806 1.00 0.00 C ATOM 927 OE1 GLU A 58 12.812 0.800 3.111 1.00 0.00 O ATOM 928 OE2 GLU A 58 12.879 2.925 3.449 1.00 0.00 O ATOM 0 H GLU A 58 13.210 -1.709 6.997 1.00 0.00 H new ATOM 0 HA GLU A 58 12.039 0.797 7.829 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.663 0.298 5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.378 -0.556 5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.978 1.576 5.183 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.365 2.405 5.861 1.00 0.00 H new ATOM 935 N LEU A 59 9.899 -1.406 6.946 1.00 0.00 N ATOM 936 CA LEU A 59 8.431 -1.633 6.775 1.00 0.00 C ATOM 937 C LEU A 59 7.633 -0.751 7.744 1.00 0.00 C ATOM 938 O LEU A 59 6.615 -0.188 7.390 1.00 0.00 O ATOM 939 CB LEU A 59 8.219 -3.110 7.105 1.00 0.00 C ATOM 940 CG LEU A 59 6.772 -3.501 6.792 1.00 0.00 C ATOM 941 CD1 LEU A 59 6.756 -4.729 5.879 1.00 0.00 C ATOM 942 CD2 LEU A 59 6.037 -3.825 8.096 1.00 0.00 C ATOM 0 H LEU A 59 10.456 -2.253 7.060 1.00 0.00 H new ATOM 0 HA LEU A 59 8.093 -1.382 5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.907 -3.725 6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.437 -3.293 8.157 1.00 0.00 H new ATOM 0 HG LEU A 59 6.275 -2.671 6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.725 -5.005 5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.277 -4.498 4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.255 -5.560 6.378 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.007 -4.103 7.874 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.536 -4.653 8.599 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.044 -2.949 8.745 1.00 0.00 H new ATOM 954 N LEU A 60 8.085 -0.636 8.963 1.00 0.00 N ATOM 955 CA LEU A 60 7.352 0.202 9.957 1.00 0.00 C ATOM 956 C LEU A 60 7.314 1.660 9.487 1.00 0.00 C ATOM 957 O LEU A 60 6.293 2.314 9.557 1.00 0.00 O ATOM 958 CB LEU A 60 8.157 0.073 11.256 1.00 0.00 C ATOM 959 CG LEU A 60 7.285 0.440 12.463 1.00 0.00 C ATOM 960 CD1 LEU A 60 6.838 1.900 12.361 1.00 0.00 C ATOM 961 CD2 LEU A 60 6.051 -0.468 12.504 1.00 0.00 C ATOM 0 H LEU A 60 8.930 -1.086 9.315 1.00 0.00 H new ATOM 0 HA LEU A 60 6.318 -0.117 10.088 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.526 -0.947 11.363 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.029 0.726 11.217 1.00 0.00 H new ATOM 0 HG LEU A 60 7.868 0.305 13.374 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.219 2.152 13.222 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.714 2.548 12.341 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.262 2.041 11.447 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.434 -0.204 13.363 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.473 -0.339 11.589 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.367 -1.508 12.590 1.00 0.00 H new ATOM 973 N ALA A 61 8.417 2.173 9.011 1.00 0.00 N ATOM 974 CA ALA A 61 8.446 3.590 8.539 1.00 0.00 C ATOM 975 C ALA A 61 7.360 3.828 7.483 1.00 0.00 C ATOM 976 O ALA A 61 6.909 4.939 7.286 1.00 0.00 O ATOM 977 CB ALA A 61 9.835 3.775 7.925 1.00 0.00 C ATOM 0 H ALA A 61 9.301 1.672 8.928 1.00 0.00 H new ATOM 0 HA ALA A 61 8.257 4.294 9.349 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.936 4.795 7.553 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.596 3.588 8.683 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.965 3.074 7.100 1.00 0.00 H new ATOM 983 N LYS A 62 6.940 2.793 6.805 1.00 0.00 N ATOM 984 CA LYS A 62 5.885 2.963 5.761 1.00 0.00 C ATOM 985 C LYS A 62 4.566 3.407 6.401 1.00 0.00 C ATOM 986 O LYS A 62 3.981 4.396 6.009 1.00 0.00 O ATOM 987 CB LYS A 62 5.730 1.579 5.126 1.00 0.00 C ATOM 988 CG LYS A 62 4.718 1.651 3.976 1.00 0.00 C ATOM 989 CD LYS A 62 3.514 0.758 4.291 1.00 0.00 C ATOM 990 CE LYS A 62 3.959 -0.705 4.338 1.00 0.00 C ATOM 991 NZ LYS A 62 2.697 -1.493 4.287 1.00 0.00 N ATOM 0 H LYS A 62 7.280 1.839 6.928 1.00 0.00 H new ATOM 0 HA LYS A 62 6.153 3.724 5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.693 1.228 4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.395 0.860 5.874 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.391 2.681 3.830 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.187 1.331 3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.075 1.046 5.246 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.742 0.890 3.533 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.610 -0.947 3.498 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.521 -0.918 5.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.920 -2.508 4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.101 -1.247 5.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.187 -1.275 3.407 1.00 0.00 H new ATOM 1005 N ALA A 63 4.097 2.679 7.379 1.00 0.00 N ATOM 1006 CA ALA A 63 2.809 3.046 8.047 1.00 0.00 C ATOM 1007 C ALA A 63 2.802 4.526 8.452 1.00 0.00 C ATOM 1008 O ALA A 63 1.763 5.151 8.537 1.00 0.00 O ATOM 1009 CB ALA A 63 2.744 2.157 9.289 1.00 0.00 C ATOM 0 H ALA A 63 4.550 1.843 7.747 1.00 0.00 H new ATOM 0 HA ALA A 63 1.955 2.901 7.386 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.825 2.365 9.837 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.758 1.110 8.988 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.603 2.362 9.929 1.00 0.00 H new ATOM 1015 N LEU A 64 3.953 5.082 8.716 1.00 0.00 N ATOM 1016 CA LEU A 64 4.020 6.515 9.129 1.00 0.00 C ATOM 1017 C LEU A 64 3.836 7.463 7.934 1.00 0.00 C ATOM 1018 O LEU A 64 2.802 8.080 7.772 1.00 0.00 O ATOM 1019 CB LEU A 64 5.416 6.689 9.738 1.00 0.00 C ATOM 1020 CG LEU A 64 5.425 6.196 11.192 1.00 0.00 C ATOM 1021 CD1 LEU A 64 4.452 7.033 12.028 1.00 0.00 C ATOM 1022 CD2 LEU A 64 5.008 4.724 11.247 1.00 0.00 C ATOM 0 H LEU A 64 4.853 4.605 8.664 1.00 0.00 H new ATOM 0 HA LEU A 64 3.223 6.760 9.831 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.148 6.132 9.153 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.709 7.738 9.700 1.00 0.00 H new ATOM 0 HG LEU A 64 6.432 6.300 11.595 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.461 6.680 13.059 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.755 8.080 12.000 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.446 6.936 11.620 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.017 4.382 12.282 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.004 4.615 10.837 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.706 4.126 10.661 1.00 0.00 H new ATOM 1034 N GLU A 65 4.850 7.608 7.121 1.00 0.00 N ATOM 1035 CA GLU A 65 4.772 8.547 5.955 1.00 0.00 C ATOM 1036 C GLU A 65 3.688 8.143 4.947 1.00 0.00 C ATOM 1037 O GLU A 65 3.228 8.962 4.177 1.00 0.00 O ATOM 1038 CB GLU A 65 6.153 8.475 5.304 1.00 0.00 C ATOM 1039 CG GLU A 65 6.370 9.708 4.424 1.00 0.00 C ATOM 1040 CD GLU A 65 5.662 9.509 3.081 1.00 0.00 C ATOM 1041 OE1 GLU A 65 5.767 8.426 2.532 1.00 0.00 O ATOM 1042 OE2 GLU A 65 5.026 10.447 2.626 1.00 0.00 O ATOM 0 H GLU A 65 5.737 7.113 7.213 1.00 0.00 H new ATOM 0 HA GLU A 65 4.505 9.552 6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.926 8.423 6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.237 7.568 4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.983 10.596 4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.436 9.871 4.264 1.00 0.00 H new ATOM 1049 N THR A 66 3.282 6.899 4.924 1.00 0.00 N ATOM 1050 CA THR A 66 2.241 6.483 3.933 1.00 0.00 C ATOM 1051 C THR A 66 1.020 7.414 3.990 1.00 0.00 C ATOM 1052 O THR A 66 0.516 7.843 2.971 1.00 0.00 O ATOM 1053 CB THR A 66 1.850 5.052 4.317 1.00 0.00 C ATOM 1054 OG1 THR A 66 0.831 4.591 3.440 1.00 0.00 O ATOM 1055 CG2 THR A 66 1.332 5.024 5.755 1.00 0.00 C ATOM 0 H THR A 66 3.621 6.160 5.540 1.00 0.00 H new ATOM 0 HA THR A 66 2.621 6.537 2.913 1.00 0.00 H new ATOM 0 HB THR A 66 2.725 4.406 4.237 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.580 3.675 3.683 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.056 4.004 6.022 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.112 5.377 6.430 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.459 5.671 5.840 1.00 0.00 H new ATOM 1063 N LEU A 67 0.542 7.732 5.167 1.00 0.00 N ATOM 1064 CA LEU A 67 -0.642 8.638 5.262 1.00 0.00 C ATOM 1065 C LEU A 67 -0.208 10.062 5.623 1.00 0.00 C ATOM 1066 O LEU A 67 -0.570 11.016 4.960 1.00 0.00 O ATOM 1067 CB LEU A 67 -1.504 8.042 6.375 1.00 0.00 C ATOM 1068 CG LEU A 67 -2.208 6.784 5.862 1.00 0.00 C ATOM 1069 CD1 LEU A 67 -2.921 6.086 7.021 1.00 0.00 C ATOM 1070 CD2 LEU A 67 -3.234 7.174 4.793 1.00 0.00 C ATOM 0 H LEU A 67 0.917 7.407 6.058 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.180 8.708 4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.884 7.798 7.238 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.241 8.773 6.709 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.471 6.107 5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.422 5.190 6.654 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.192 5.808 7.782 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.658 6.762 7.455 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.736 6.279 4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.970 7.852 5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.727 7.670 3.965 1.00 0.00 H new ATOM 1082 N LEU A 68 0.564 10.215 6.668 1.00 0.00 N ATOM 1083 CA LEU A 68 1.022 11.578 7.076 1.00 0.00 C ATOM 1084 C LEU A 68 2.523 11.562 7.373 1.00 0.00 C ATOM 1085 O LEU A 68 3.103 10.525 7.622 1.00 0.00 O ATOM 1086 CB LEU A 68 0.242 11.914 8.358 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.174 12.416 8.032 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -1.117 13.530 6.982 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -2.029 11.259 7.509 1.00 0.00 C ATOM 0 H LEU A 68 0.898 9.453 7.258 1.00 0.00 H new ATOM 0 HA LEU A 68 0.848 12.312 6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.180 11.029 8.992 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.779 12.675 8.925 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.621 12.813 8.943 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.127 13.875 6.762 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.525 14.361 7.365 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.658 13.148 6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.031 11.622 7.280 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.576 10.851 6.606 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.090 10.479 8.268 1.00 0.00 H new ATOM 1101 N LEU A 69 3.154 12.706 7.355 1.00 0.00 N ATOM 1102 CA LEU A 69 4.617 12.756 7.648 1.00 0.00 C ATOM 1103 C LEU A 69 4.848 13.111 9.123 1.00 0.00 C ATOM 1104 O LEU A 69 4.591 14.218 9.554 1.00 0.00 O ATOM 1105 CB LEU A 69 5.177 13.843 6.723 1.00 0.00 C ATOM 1106 CG LEU A 69 4.553 15.201 7.064 1.00 0.00 C ATOM 1107 CD1 LEU A 69 5.579 16.064 7.800 1.00 0.00 C ATOM 1108 CD2 LEU A 69 4.128 15.909 5.773 1.00 0.00 C ATOM 0 H LEU A 69 2.721 13.607 7.151 1.00 0.00 H new ATOM 0 HA LEU A 69 5.108 11.798 7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.261 13.896 6.827 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.968 13.589 5.684 1.00 0.00 H new ATOM 0 HG LEU A 69 3.681 15.048 7.700 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.135 17.030 8.042 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.883 15.563 8.719 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.451 16.215 7.164 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.684 16.874 6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.000 16.060 5.137 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.397 15.296 5.246 1.00 0.00 H new ATOM 1120 N ASN A 70 5.324 12.177 9.899 1.00 0.00 N ATOM 1121 CA ASN A 70 5.568 12.455 11.345 1.00 0.00 C ATOM 1122 C ASN A 70 6.864 11.784 11.806 1.00 0.00 C ATOM 1123 O ASN A 70 7.142 10.649 11.465 1.00 0.00 O ATOM 1124 CB ASN A 70 4.364 11.855 12.073 1.00 0.00 C ATOM 1125 CG ASN A 70 4.246 12.476 13.465 1.00 0.00 C ATOM 1126 OD1 ASN A 70 5.222 12.933 14.026 1.00 0.00 O ATOM 1127 ND2 ASN A 70 3.080 12.512 14.052 1.00 0.00 N ATOM 0 H ASN A 70 5.555 11.231 9.595 1.00 0.00 H new ATOM 0 HA ASN A 70 5.677 13.521 11.546 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.453 12.039 11.503 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.477 10.774 12.154 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.989 12.924 14.981 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.260 12.129 13.582 1.00 0.00 H new ATOM 1134 N GLY A 71 7.658 12.473 12.582 1.00 0.00 N ATOM 1135 CA GLY A 71 8.933 11.871 13.070 1.00 0.00 C ATOM 1136 C GLY A 71 8.617 10.788 14.103 1.00 0.00 C ATOM 1137 O GLY A 71 9.210 9.727 14.106 1.00 0.00 O ATOM 0 H GLY A 71 7.479 13.426 12.899 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.489 11.443 12.236 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.565 12.640 13.514 1.00 0.00 H new ATOM 1141 N VAL A 72 7.680 11.047 14.977 1.00 0.00 N ATOM 1142 CA VAL A 72 7.315 10.036 16.012 1.00 0.00 C ATOM 1143 C VAL A 72 5.791 9.932 16.124 1.00 0.00 C ATOM 1144 O VAL A 72 5.100 10.926 16.236 1.00 0.00 O ATOM 1145 CB VAL A 72 7.915 10.558 17.319 1.00 0.00 C ATOM 1146 CG1 VAL A 72 7.693 9.530 18.429 1.00 0.00 C ATOM 1147 CG2 VAL A 72 9.420 10.785 17.138 1.00 0.00 C ATOM 0 H VAL A 72 7.150 11.918 15.018 1.00 0.00 H new ATOM 0 HA VAL A 72 7.690 9.042 15.768 1.00 0.00 H new ATOM 0 HB VAL A 72 7.432 11.498 17.587 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.120 9.902 19.360 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.624 9.363 18.562 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.176 8.591 18.157 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.847 11.157 18.070 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.900 9.844 16.869 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.585 11.516 16.346 1.00 0.00 H new ATOM 1157 N LEU A 73 5.262 8.738 16.088 1.00 0.00 N ATOM 1158 CA LEU A 73 3.783 8.573 16.184 1.00 0.00 C ATOM 1159 C LEU A 73 3.447 7.290 16.954 1.00 0.00 C ATOM 1160 O LEU A 73 4.179 6.320 16.908 1.00 0.00 O ATOM 1161 CB LEU A 73 3.314 8.485 14.725 1.00 0.00 C ATOM 1162 CG LEU A 73 1.792 8.665 14.625 1.00 0.00 C ATOM 1163 CD1 LEU A 73 1.091 7.399 15.121 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.340 9.866 15.465 1.00 0.00 C ATOM 0 H LEU A 73 5.790 7.870 15.996 1.00 0.00 H new ATOM 0 HA LEU A 73 3.296 9.389 16.718 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.814 9.250 14.132 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.598 7.520 14.305 1.00 0.00 H new ATOM 0 HG LEU A 73 1.527 8.845 13.583 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.011 7.529 15.049 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.396 6.551 14.508 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.366 7.214 16.159 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.259 9.981 15.384 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.610 9.703 16.508 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.829 10.769 15.101 1.00 0.00 H new ATOM 1176 N THR A 74 2.349 7.281 17.667 1.00 0.00 N ATOM 1177 CA THR A 74 1.973 6.062 18.446 1.00 0.00 C ATOM 1178 C THR A 74 1.182 5.087 17.571 1.00 0.00 C ATOM 1179 O THR A 74 0.295 5.475 16.836 1.00 0.00 O ATOM 1180 CB THR A 74 1.100 6.578 19.592 1.00 0.00 C ATOM 1181 OG1 THR A 74 0.037 7.356 19.061 1.00 0.00 O ATOM 1182 CG2 THR A 74 1.946 7.438 20.533 1.00 0.00 C ATOM 0 H THR A 74 1.698 8.063 17.743 1.00 0.00 H new ATOM 0 HA THR A 74 2.849 5.522 18.806 1.00 0.00 H new ATOM 0 HB THR A 74 0.690 5.734 20.147 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.207 7.015 18.175 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.323 7.805 21.349 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.761 6.839 20.940 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.357 8.284 19.982 1.00 0.00 H new ATOM 1190 N LEU A 75 1.495 3.819 17.648 1.00 0.00 N ATOM 1191 CA LEU A 75 0.762 2.816 16.825 1.00 0.00 C ATOM 1192 C LEU A 75 -0.303 2.118 17.673 1.00 0.00 C ATOM 1193 O LEU A 75 -0.070 1.771 18.814 1.00 0.00 O ATOM 1194 CB LEU A 75 1.828 1.817 16.377 1.00 0.00 C ATOM 1195 CG LEU A 75 2.708 2.455 15.301 1.00 0.00 C ATOM 1196 CD1 LEU A 75 4.146 1.955 15.453 1.00 0.00 C ATOM 1197 CD2 LEU A 75 2.179 2.070 13.917 1.00 0.00 C ATOM 0 H LEU A 75 2.227 3.437 18.246 1.00 0.00 H new ATOM 0 HA LEU A 75 0.248 3.271 15.978 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.438 1.515 17.228 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.355 0.915 15.987 1.00 0.00 H new ATOM 0 HG LEU A 75 2.687 3.539 15.411 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.772 2.410 14.686 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.524 2.227 16.439 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.168 0.871 15.343 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.805 2.524 13.149 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.200 0.986 13.808 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.155 2.426 13.807 1.00 0.00 H new ATOM 1209 N VAL A 76 -1.471 1.911 17.127 1.00 0.00 N ATOM 1210 CA VAL A 76 -2.550 1.237 17.907 1.00 0.00 C ATOM 1211 C VAL A 76 -3.350 0.292 17.007 1.00 0.00 C ATOM 1212 O VAL A 76 -3.205 0.294 15.800 1.00 0.00 O ATOM 1213 CB VAL A 76 -3.439 2.368 18.428 1.00 0.00 C ATOM 1214 CG1 VAL A 76 -2.617 3.291 19.329 1.00 0.00 C ATOM 1215 CG2 VAL A 76 -3.996 3.171 17.249 1.00 0.00 C ATOM 0 H VAL A 76 -1.725 2.179 16.176 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.148 0.632 18.720 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.265 1.943 18.998 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.251 4.096 19.700 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.224 2.722 20.171 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.790 3.714 18.759 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.629 3.976 17.623 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.172 3.595 16.675 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.585 2.515 16.608 1.00 0.00 H new ATOM 1225 N LEU A 77 -4.194 -0.511 17.591 1.00 0.00 N ATOM 1226 CA LEU A 77 -5.014 -1.461 16.783 1.00 0.00 C ATOM 1227 C LEU A 77 -6.465 -1.441 17.276 1.00 0.00 C ATOM 1228 O LEU A 77 -6.726 -1.433 18.464 1.00 0.00 O ATOM 1229 CB LEU A 77 -4.387 -2.840 17.022 1.00 0.00 C ATOM 1230 CG LEU A 77 -4.264 -3.099 18.530 1.00 0.00 C ATOM 1231 CD1 LEU A 77 -4.938 -4.426 18.888 1.00 0.00 C ATOM 1232 CD2 LEU A 77 -2.783 -3.159 18.918 1.00 0.00 C ATOM 0 H LEU A 77 -4.353 -0.552 18.598 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.026 -1.202 15.724 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.000 -3.614 16.559 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.404 -2.889 16.554 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.753 -2.290 19.073 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.847 -4.603 19.960 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.993 -4.383 18.616 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.455 -5.238 18.344 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.695 -3.343 19.989 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.296 -3.965 18.370 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.304 -2.212 18.672 1.00 0.00 H new ATOM 1244 N GLU A 78 -7.410 -1.431 16.375 1.00 0.00 N ATOM 1245 CA GLU A 78 -8.844 -1.409 16.793 1.00 0.00 C ATOM 1246 C GLU A 78 -9.360 -2.835 17.024 1.00 0.00 C ATOM 1247 O GLU A 78 -10.404 -3.033 17.615 1.00 0.00 O ATOM 1248 CB GLU A 78 -9.583 -0.749 15.628 1.00 0.00 C ATOM 1249 CG GLU A 78 -10.972 -0.304 16.088 1.00 0.00 C ATOM 1250 CD GLU A 78 -11.632 0.527 14.986 1.00 0.00 C ATOM 1251 OE1 GLU A 78 -11.248 1.673 14.824 1.00 0.00 O ATOM 1252 OE2 GLU A 78 -12.511 0.003 14.323 1.00 0.00 O ATOM 0 H GLU A 78 -7.252 -1.437 15.367 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.991 -0.870 17.729 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.017 0.109 15.264 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.671 -1.449 14.797 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.586 -1.174 16.319 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.893 0.283 17.003 1.00 0.00 H new ATOM 1259 N GLU A 79 -8.642 -3.824 16.561 1.00 0.00 N ATOM 1260 CA GLU A 79 -9.096 -5.236 16.753 1.00 0.00 C ATOM 1261 C GLU A 79 -9.272 -5.547 18.243 1.00 0.00 C ATOM 1262 O GLU A 79 -10.297 -6.048 18.662 1.00 0.00 O ATOM 1263 CB GLU A 79 -7.982 -6.097 16.157 1.00 0.00 C ATOM 1264 CG GLU A 79 -8.528 -7.491 15.838 1.00 0.00 C ATOM 1265 CD GLU A 79 -7.612 -8.178 14.825 1.00 0.00 C ATOM 1266 OE1 GLU A 79 -6.407 -8.066 14.972 1.00 0.00 O ATOM 1267 OE2 GLU A 79 -8.134 -8.803 13.916 1.00 0.00 O ATOM 0 H GLU A 79 -7.761 -3.717 16.058 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.058 -5.423 16.276 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.593 -5.631 15.251 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -7.151 -6.172 16.859 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.591 -8.086 16.749 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.539 -7.414 15.437 1.00 0.00 H new ATOM 1274 N ASP A 80 -8.281 -5.256 19.044 1.00 0.00 N ATOM 1275 CA ASP A 80 -8.392 -5.542 20.505 1.00 0.00 C ATOM 1276 C ASP A 80 -8.394 -4.235 21.305 1.00 0.00 C ATOM 1277 O ASP A 80 -8.963 -4.155 22.377 1.00 0.00 O ATOM 1278 CB ASP A 80 -7.154 -6.374 20.839 1.00 0.00 C ATOM 1279 CG ASP A 80 -7.389 -7.140 22.144 1.00 0.00 C ATOM 1280 OD1 ASP A 80 -8.043 -8.169 22.093 1.00 0.00 O ATOM 1281 OD2 ASP A 80 -6.913 -6.684 23.171 1.00 0.00 O ATOM 0 H ASP A 80 -7.400 -4.833 18.750 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.315 -6.065 20.754 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.942 -7.072 20.029 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.283 -5.726 20.937 1.00 0.00 H new ATOM 1286 N GLY A 81 -7.764 -3.212 20.792 1.00 0.00 N ATOM 1287 CA GLY A 81 -7.729 -1.912 21.522 1.00 0.00 C ATOM 1288 C GLY A 81 -6.504 -1.865 22.438 1.00 0.00 C ATOM 1289 O GLY A 81 -6.622 -1.829 23.647 1.00 0.00 O ATOM 0 H GLY A 81 -7.272 -3.221 19.899 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.695 -1.086 20.811 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.639 -1.790 22.110 1.00 0.00 H new ATOM 1293 N THR A 82 -5.328 -1.861 21.867 1.00 0.00 N ATOM 1294 CA THR A 82 -4.089 -1.813 22.697 1.00 0.00 C ATOM 1295 C THR A 82 -3.052 -0.896 22.040 1.00 0.00 C ATOM 1296 O THR A 82 -2.912 -0.870 20.833 1.00 0.00 O ATOM 1297 CB THR A 82 -3.584 -3.257 22.734 1.00 0.00 C ATOM 1298 OG1 THR A 82 -4.580 -4.090 23.309 1.00 0.00 O ATOM 1299 CG2 THR A 82 -2.305 -3.335 23.571 1.00 0.00 C ATOM 0 H THR A 82 -5.172 -1.889 20.859 1.00 0.00 H new ATOM 0 HA THR A 82 -4.273 -1.420 23.697 1.00 0.00 H new ATOM 0 HB THR A 82 -3.370 -3.592 21.719 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.259 -5.016 23.332 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.948 -4.365 23.595 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.541 -2.696 23.128 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.514 -2.999 24.587 1.00 0.00 H new ATOM 1307 N ALA A 83 -2.323 -0.148 22.825 1.00 0.00 N ATOM 1308 CA ALA A 83 -1.292 0.762 22.244 1.00 0.00 C ATOM 1309 C ALA A 83 0.010 -0.010 22.014 1.00 0.00 C ATOM 1310 O ALA A 83 0.348 -0.907 22.760 1.00 0.00 O ATOM 1311 CB ALA A 83 -1.089 1.856 23.292 1.00 0.00 C ATOM 0 H ALA A 83 -2.396 -0.127 23.842 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.596 1.176 21.283 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.342 2.566 22.937 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.032 2.376 23.463 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.748 1.407 24.225 1.00 0.00 H new ATOM 1317 N VAL A 84 0.741 0.328 20.985 1.00 0.00 N ATOM 1318 CA VAL A 84 2.016 -0.396 20.712 1.00 0.00 C ATOM 1319 C VAL A 84 3.080 0.568 20.182 1.00 0.00 C ATOM 1320 O VAL A 84 2.776 1.541 19.519 1.00 0.00 O ATOM 1321 CB VAL A 84 1.668 -1.436 19.645 1.00 0.00 C ATOM 1322 CG1 VAL A 84 2.879 -2.341 19.395 1.00 0.00 C ATOM 1323 CG2 VAL A 84 0.488 -2.286 20.123 1.00 0.00 C ATOM 0 H VAL A 84 0.511 1.071 20.325 1.00 0.00 H new ATOM 0 HA VAL A 84 2.422 -0.853 21.615 1.00 0.00 H new ATOM 0 HB VAL A 84 1.398 -0.927 18.720 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.629 -3.081 18.635 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.719 -1.738 19.052 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.151 -2.849 20.320 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.241 -3.026 19.362 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.757 -2.794 21.049 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.375 -1.644 20.298 1.00 0.00 H new ATOM 1333 N ASP A 85 4.325 0.298 20.467 1.00 0.00 N ATOM 1334 CA ASP A 85 5.417 1.188 19.981 1.00 0.00 C ATOM 1335 C ASP A 85 6.639 0.351 19.591 1.00 0.00 C ATOM 1336 O ASP A 85 7.755 0.837 19.566 1.00 0.00 O ATOM 1337 CB ASP A 85 5.742 2.104 21.163 1.00 0.00 C ATOM 1338 CG ASP A 85 6.149 1.260 22.375 1.00 0.00 C ATOM 1339 OD1 ASP A 85 7.325 0.960 22.496 1.00 0.00 O ATOM 1340 OD2 ASP A 85 5.276 0.931 23.159 1.00 0.00 O ATOM 0 H ASP A 85 4.633 -0.503 21.017 1.00 0.00 H new ATOM 0 HA ASP A 85 5.127 1.758 19.098 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.549 2.786 20.895 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.875 2.717 21.409 1.00 0.00 H new ATOM 1345 N SER A 86 6.436 -0.905 19.290 1.00 0.00 N ATOM 1346 CA SER A 86 7.581 -1.780 18.904 1.00 0.00 C ATOM 1347 C SER A 86 7.139 -2.797 17.848 1.00 0.00 C ATOM 1348 O SER A 86 5.979 -2.867 17.490 1.00 0.00 O ATOM 1349 CB SER A 86 7.989 -2.490 20.194 1.00 0.00 C ATOM 1350 OG SER A 86 6.920 -3.319 20.632 1.00 0.00 O ATOM 0 H SER A 86 5.525 -1.363 19.295 1.00 0.00 H new ATOM 0 HA SER A 86 8.406 -1.213 18.472 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.884 -3.089 20.026 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.236 -1.758 20.963 1.00 0.00 H new ATOM 0 HG SER A 86 7.179 -3.777 21.459 1.00 0.00 H new ATOM 1356 N GLU A 87 8.056 -3.582 17.347 1.00 0.00 N ATOM 1357 CA GLU A 87 7.691 -4.597 16.311 1.00 0.00 C ATOM 1358 C GLU A 87 6.696 -5.619 16.878 1.00 0.00 C ATOM 1359 O GLU A 87 6.108 -6.392 16.147 1.00 0.00 O ATOM 1360 CB GLU A 87 9.011 -5.281 15.947 1.00 0.00 C ATOM 1361 CG GLU A 87 8.796 -6.194 14.737 1.00 0.00 C ATOM 1362 CD GLU A 87 10.008 -6.105 13.807 1.00 0.00 C ATOM 1363 OE1 GLU A 87 10.356 -5.000 13.426 1.00 0.00 O ATOM 1364 OE2 GLU A 87 10.565 -7.143 13.492 1.00 0.00 O ATOM 0 H GLU A 87 9.042 -3.566 17.609 1.00 0.00 H new ATOM 0 HA GLU A 87 7.210 -4.141 15.446 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.770 -4.533 15.721 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.378 -5.862 16.794 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.652 -7.223 15.066 1.00 0.00 H new ATOM 0 HG3 GLU A 87 7.892 -5.900 14.203 1.00 0.00 H new ATOM 1371 N ASP A 88 6.501 -5.632 18.172 1.00 0.00 N ATOM 1372 CA ASP A 88 5.543 -6.607 18.780 1.00 0.00 C ATOM 1373 C ASP A 88 4.111 -6.349 18.288 1.00 0.00 C ATOM 1374 O ASP A 88 3.221 -7.140 18.531 1.00 0.00 O ATOM 1375 CB ASP A 88 5.637 -6.368 20.287 1.00 0.00 C ATOM 1376 CG ASP A 88 4.836 -7.441 21.025 1.00 0.00 C ATOM 1377 OD1 ASP A 88 3.618 -7.365 21.001 1.00 0.00 O ATOM 1378 OD2 ASP A 88 5.453 -8.323 21.600 1.00 0.00 O ATOM 0 H ASP A 88 6.963 -5.010 18.835 1.00 0.00 H new ATOM 0 HA ASP A 88 5.786 -7.634 18.507 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.679 -6.394 20.606 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.253 -5.378 20.534 1.00 0.00 H new ATOM 1383 N PHE A 89 3.881 -5.253 17.606 1.00 0.00 N ATOM 1384 CA PHE A 89 2.506 -4.943 17.101 1.00 0.00 C ATOM 1385 C PHE A 89 1.851 -6.194 16.495 1.00 0.00 C ATOM 1386 O PHE A 89 0.661 -6.407 16.625 1.00 0.00 O ATOM 1387 CB PHE A 89 2.720 -3.871 16.026 1.00 0.00 C ATOM 1388 CG PHE A 89 1.414 -3.565 15.329 1.00 0.00 C ATOM 1389 CD1 PHE A 89 1.034 -4.301 14.204 1.00 0.00 C ATOM 1390 CD2 PHE A 89 0.588 -2.544 15.807 1.00 0.00 C ATOM 1391 CE1 PHE A 89 -0.174 -4.022 13.553 1.00 0.00 C ATOM 1392 CE2 PHE A 89 -0.623 -2.256 15.162 1.00 0.00 C ATOM 1393 CZ PHE A 89 -1.016 -2.992 14.025 1.00 0.00 C ATOM 0 H PHE A 89 4.590 -4.556 17.376 1.00 0.00 H new ATOM 0 HA PHE A 89 1.843 -4.605 17.897 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.120 -2.964 16.480 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.457 -4.215 15.300 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.675 -5.088 13.835 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.884 -1.975 16.676 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.463 -4.597 12.686 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.258 -1.467 15.538 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.947 -2.771 13.523 1.00 0.00 H new ATOM 1403 N PHE A 90 2.620 -7.018 15.836 1.00 0.00 N ATOM 1404 CA PHE A 90 2.043 -8.252 15.223 1.00 0.00 C ATOM 1405 C PHE A 90 2.081 -9.418 16.219 1.00 0.00 C ATOM 1406 O PHE A 90 1.347 -10.377 16.087 1.00 0.00 O ATOM 1407 CB PHE A 90 2.936 -8.548 14.018 1.00 0.00 C ATOM 1408 CG PHE A 90 2.538 -7.653 12.871 1.00 0.00 C ATOM 1409 CD1 PHE A 90 1.270 -7.770 12.300 1.00 0.00 C ATOM 1410 CD2 PHE A 90 3.439 -6.705 12.381 1.00 0.00 C ATOM 1411 CE1 PHE A 90 0.896 -6.941 11.236 1.00 0.00 C ATOM 1412 CE2 PHE A 90 3.075 -5.870 11.317 1.00 0.00 C ATOM 1413 CZ PHE A 90 1.797 -5.980 10.732 1.00 0.00 C ATOM 0 H PHE A 90 3.622 -6.891 15.695 1.00 0.00 H new ATOM 0 HA PHE A 90 0.999 -8.118 14.938 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.982 -8.383 14.277 1.00 0.00 H new ATOM 0 HB3 PHE A 90 2.840 -9.594 13.728 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.574 -8.503 12.681 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.420 -6.615 12.824 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.087 -7.038 10.799 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.776 -5.139 10.943 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.512 -5.339 9.911 1.00 0.00 H new ATOM 1423 N GLN A 91 2.932 -9.345 17.209 1.00 0.00 N ATOM 1424 CA GLN A 91 3.015 -10.454 18.206 1.00 0.00 C ATOM 1425 C GLN A 91 1.862 -10.363 19.211 1.00 0.00 C ATOM 1426 O GLN A 91 1.519 -11.331 19.860 1.00 0.00 O ATOM 1427 CB GLN A 91 4.356 -10.251 18.914 1.00 0.00 C ATOM 1428 CG GLN A 91 4.681 -11.488 19.758 1.00 0.00 C ATOM 1429 CD GLN A 91 5.440 -11.063 21.016 1.00 0.00 C ATOM 1430 OE1 GLN A 91 4.918 -11.141 22.110 1.00 0.00 O ATOM 1431 NE2 GLN A 91 6.661 -10.615 20.906 1.00 0.00 N ATOM 0 H GLN A 91 3.572 -8.567 17.370 1.00 0.00 H new ATOM 0 HA GLN A 91 2.943 -11.433 17.733 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.144 -10.081 18.181 1.00 0.00 H new ATOM 0 HB3 GLN A 91 4.314 -9.366 19.548 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.762 -12.006 20.033 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.281 -12.189 19.178 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.099 -10.550 19.987 1.00 0.00 H new ATOM 0 HE22 GLN A 91 7.177 -10.330 21.739 1.00 0.00 H new ATOM 1440 N LEU A 92 1.263 -9.210 19.346 1.00 0.00 N ATOM 1441 CA LEU A 92 0.136 -9.062 20.313 1.00 0.00 C ATOM 1442 C LEU A 92 -1.175 -9.553 19.689 1.00 0.00 C ATOM 1443 O LEU A 92 -2.124 -9.862 20.383 1.00 0.00 O ATOM 1444 CB LEU A 92 0.064 -7.563 20.610 1.00 0.00 C ATOM 1445 CG LEU A 92 -1.040 -7.294 21.635 1.00 0.00 C ATOM 1446 CD1 LEU A 92 -0.561 -7.719 23.024 1.00 0.00 C ATOM 1447 CD2 LEU A 92 -1.373 -5.800 21.646 1.00 0.00 C ATOM 0 H LEU A 92 1.505 -8.365 18.829 1.00 0.00 H new ATOM 0 HA LEU A 92 0.291 -9.651 21.217 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.022 -7.212 20.992 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.135 -7.010 19.692 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.930 -7.863 21.367 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.347 -7.527 23.754 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.323 -8.783 23.017 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.329 -7.150 23.292 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.159 -5.608 22.376 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.483 -5.231 21.913 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.714 -5.496 20.656 1.00 0.00 H new ATOM 1459 N LEU A 93 -1.239 -9.623 18.385 1.00 0.00 N ATOM 1460 CA LEU A 93 -2.493 -10.090 17.722 1.00 0.00 C ATOM 1461 C LEU A 93 -2.202 -11.280 16.804 1.00 0.00 C ATOM 1462 O LEU A 93 -1.076 -11.509 16.405 1.00 0.00 O ATOM 1463 CB LEU A 93 -2.974 -8.894 16.896 1.00 0.00 C ATOM 1464 CG LEU A 93 -3.197 -7.688 17.810 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -1.937 -6.820 17.829 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -4.380 -6.863 17.287 1.00 0.00 C ATOM 0 H LEU A 93 -0.479 -9.377 17.751 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.238 -10.420 18.446 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.238 -8.650 16.130 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.900 -9.146 16.379 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.413 -8.034 18.821 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.097 -5.961 18.481 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.097 -7.406 18.201 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.719 -6.474 16.819 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.540 -6.003 17.938 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.164 -6.518 16.276 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.278 -7.481 17.275 1.00 0.00 H new ATOM 1478 N GLU A 94 -3.213 -12.034 16.456 1.00 0.00 N ATOM 1479 CA GLU A 94 -2.998 -13.199 15.550 1.00 0.00 C ATOM 1480 C GLU A 94 -2.537 -12.695 14.181 1.00 0.00 C ATOM 1481 O GLU A 94 -2.471 -11.504 13.948 1.00 0.00 O ATOM 1482 CB GLU A 94 -4.362 -13.890 15.446 1.00 0.00 C ATOM 1483 CG GLU A 94 -5.394 -12.914 14.870 1.00 0.00 C ATOM 1484 CD GLU A 94 -6.739 -13.125 15.564 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -7.171 -14.264 15.648 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -7.320 -12.143 15.999 1.00 0.00 O ATOM 0 H GLU A 94 -4.176 -11.893 16.760 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.236 -13.885 15.919 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.286 -14.771 14.809 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.682 -14.234 16.430 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.057 -11.887 15.011 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.498 -13.070 13.796 1.00 0.00 H new ATOM 1493 N ASP A 95 -2.209 -13.578 13.275 1.00 0.00 N ATOM 1494 CA ASP A 95 -1.752 -13.107 11.935 1.00 0.00 C ATOM 1495 C ASP A 95 -2.873 -12.333 11.238 1.00 0.00 C ATOM 1496 O ASP A 95 -3.951 -12.847 11.010 1.00 0.00 O ATOM 1497 CB ASP A 95 -1.414 -14.381 11.159 1.00 0.00 C ATOM 1498 CG ASP A 95 -0.907 -14.013 9.763 1.00 0.00 C ATOM 1499 OD1 ASP A 95 0.074 -13.294 9.682 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -1.511 -14.456 8.800 1.00 0.00 O ATOM 0 H ASP A 95 -2.237 -14.590 13.401 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.897 -12.435 12.003 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -0.656 -14.954 11.693 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -2.296 -15.016 11.081 1.00 0.00 H new ATOM 1505 N ASP A 96 -2.616 -11.101 10.900 1.00 0.00 N ATOM 1506 CA ASP A 96 -3.648 -10.273 10.211 1.00 0.00 C ATOM 1507 C ASP A 96 -3.005 -8.992 9.672 1.00 0.00 C ATOM 1508 O ASP A 96 -1.845 -8.726 9.918 1.00 0.00 O ATOM 1509 CB ASP A 96 -4.694 -9.949 11.283 1.00 0.00 C ATOM 1510 CG ASP A 96 -4.028 -9.226 12.458 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -3.424 -8.191 12.228 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -4.136 -9.719 13.568 1.00 0.00 O ATOM 0 H ASP A 96 -1.729 -10.627 11.072 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.098 -10.789 9.363 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.481 -9.325 10.859 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.168 -10.867 11.631 1.00 0.00 H new ATOM 1517 N THR A 97 -3.746 -8.189 8.957 1.00 0.00 N ATOM 1518 CA THR A 97 -3.160 -6.923 8.432 1.00 0.00 C ATOM 1519 C THR A 97 -3.968 -5.726 8.938 1.00 0.00 C ATOM 1520 O THR A 97 -5.043 -5.437 8.451 1.00 0.00 O ATOM 1521 CB THR A 97 -3.248 -7.028 6.909 1.00 0.00 C ATOM 1522 OG1 THR A 97 -3.107 -8.386 6.515 1.00 0.00 O ATOM 1523 CG2 THR A 97 -2.131 -6.194 6.278 1.00 0.00 C ATOM 0 H THR A 97 -4.723 -8.353 8.715 1.00 0.00 H new ATOM 0 HA THR A 97 -2.131 -6.780 8.761 1.00 0.00 H new ATOM 0 HB THR A 97 -4.216 -6.655 6.575 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.165 -8.451 5.539 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.191 -6.267 5.192 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.241 -5.152 6.578 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.164 -6.568 6.614 1.00 0.00 H new ATOM 1531 N CYS A 98 -3.447 -5.025 9.907 1.00 0.00 N ATOM 1532 CA CYS A 98 -4.166 -3.837 10.449 1.00 0.00 C ATOM 1533 C CYS A 98 -3.162 -2.725 10.749 1.00 0.00 C ATOM 1534 O CYS A 98 -2.117 -2.965 11.321 1.00 0.00 O ATOM 1535 CB CYS A 98 -4.831 -4.327 11.735 1.00 0.00 C ATOM 1536 SG CYS A 98 -6.157 -3.187 12.202 1.00 0.00 S ATOM 0 H CYS A 98 -2.550 -5.225 10.349 1.00 0.00 H new ATOM 0 HA CYS A 98 -4.897 -3.432 9.749 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -5.233 -5.330 11.590 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.094 -4.392 12.536 1.00 0.00 H new ATOM 0 HG CYS A 98 -6.724 -3.605 13.295 1.00 0.00 H new ATOM 1542 N LEU A 99 -3.459 -1.514 10.364 1.00 0.00 N ATOM 1543 CA LEU A 99 -2.504 -0.404 10.632 1.00 0.00 C ATOM 1544 C LEU A 99 -3.248 0.870 11.038 1.00 0.00 C ATOM 1545 O LEU A 99 -4.249 1.230 10.453 1.00 0.00 O ATOM 1546 CB LEU A 99 -1.766 -0.192 9.309 1.00 0.00 C ATOM 1547 CG LEU A 99 -0.489 0.622 9.556 1.00 0.00 C ATOM 1548 CD1 LEU A 99 0.726 -0.151 9.030 1.00 0.00 C ATOM 1549 CD2 LEU A 99 -0.591 1.969 8.831 1.00 0.00 C ATOM 0 H LEU A 99 -4.316 -1.247 9.879 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.826 -0.641 11.452 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.515 -1.154 8.863 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.410 0.329 8.601 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.373 0.793 10.626 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.631 0.430 9.207 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.801 -1.107 9.548 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.611 -0.326 7.960 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.316 2.547 9.007 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.711 1.798 7.761 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.451 2.521 9.209 1.00 0.00 H new ATOM 1561 N MET A 100 -2.751 1.556 12.028 1.00 0.00 N ATOM 1562 CA MET A 100 -3.405 2.816 12.475 1.00 0.00 C ATOM 1563 C MET A 100 -2.335 3.808 12.933 1.00 0.00 C ATOM 1564 O MET A 100 -1.421 3.454 13.653 1.00 0.00 O ATOM 1565 CB MET A 100 -4.304 2.408 13.644 1.00 0.00 C ATOM 1566 CG MET A 100 -5.374 3.480 13.870 1.00 0.00 C ATOM 1567 SD MET A 100 -7.015 2.709 13.902 1.00 0.00 S ATOM 1568 CE MET A 100 -7.307 2.871 15.681 1.00 0.00 C ATOM 0 H MET A 100 -1.914 1.296 12.550 1.00 0.00 H new ATOM 0 HA MET A 100 -3.978 3.298 11.683 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.776 1.448 13.435 1.00 0.00 H new ATOM 0 HB3 MET A 100 -3.707 2.280 14.547 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.188 4.001 14.809 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.328 4.226 13.077 1.00 0.00 H new ATOM 0 HE1 MET A 100 -8.379 2.864 15.876 1.00 0.00 H new ATOM 0 HE2 MET A 100 -6.838 2.038 16.204 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.880 3.809 16.036 1.00 0.00 H new ATOM 1578 N VAL A 101 -2.430 5.042 12.520 1.00 0.00 N ATOM 1579 CA VAL A 101 -1.404 6.042 12.934 1.00 0.00 C ATOM 1580 C VAL A 101 -2.074 7.353 13.352 1.00 0.00 C ATOM 1581 O VAL A 101 -2.659 8.049 12.544 1.00 0.00 O ATOM 1582 CB VAL A 101 -0.541 6.247 11.687 1.00 0.00 C ATOM 1583 CG1 VAL A 101 0.539 7.293 11.970 1.00 0.00 C ATOM 1584 CG2 VAL A 101 0.125 4.924 11.306 1.00 0.00 C ATOM 0 H VAL A 101 -3.170 5.401 11.916 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.817 5.708 13.790 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.172 6.591 10.867 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.150 7.435 11.079 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.068 8.238 12.241 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.169 6.952 12.792 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.740 5.069 10.418 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.752 4.582 12.130 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.641 4.177 11.099 1.00 0.00 H new ATOM 1594 N LEU A 102 -1.986 7.695 14.608 1.00 0.00 N ATOM 1595 CA LEU A 102 -2.606 8.963 15.087 1.00 0.00 C ATOM 1596 C LEU A 102 -1.768 9.569 16.217 1.00 0.00 C ATOM 1597 O LEU A 102 -0.885 8.931 16.757 1.00 0.00 O ATOM 1598 CB LEU A 102 -4.003 8.573 15.584 1.00 0.00 C ATOM 1599 CG LEU A 102 -3.898 7.457 16.629 1.00 0.00 C ATOM 1600 CD1 LEU A 102 -5.126 7.503 17.538 1.00 0.00 C ATOM 1601 CD2 LEU A 102 -3.841 6.096 15.926 1.00 0.00 C ATOM 0 H LEU A 102 -1.510 7.149 15.326 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.661 9.716 14.301 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.499 9.442 16.017 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.616 8.241 14.746 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.993 7.597 17.221 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.057 6.711 18.284 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.172 8.470 18.039 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.026 7.361 16.940 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.766 5.304 16.671 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -4.746 5.954 15.335 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.970 6.061 15.271 1.00 0.00 H new ATOM 1613 N GLN A 103 -2.037 10.795 16.577 1.00 0.00 N ATOM 1614 CA GLN A 103 -1.254 11.440 17.672 1.00 0.00 C ATOM 1615 C GLN A 103 -1.790 10.997 19.036 1.00 0.00 C ATOM 1616 O GLN A 103 -2.917 10.558 19.156 1.00 0.00 O ATOM 1617 CB GLN A 103 -1.463 12.943 17.475 1.00 0.00 C ATOM 1618 CG GLN A 103 -0.348 13.709 18.191 1.00 0.00 C ATOM 1619 CD GLN A 103 -0.625 15.213 18.101 1.00 0.00 C ATOM 1620 OE1 GLN A 103 -1.241 15.674 17.161 1.00 0.00 O ATOM 1621 NE2 GLN A 103 -0.189 16.001 19.047 1.00 0.00 N ATOM 0 H GLN A 103 -2.764 11.378 16.161 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.199 11.168 17.642 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -1.461 13.185 16.412 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -2.435 13.241 17.869 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.292 13.400 19.235 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.616 13.478 17.738 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.328 15.613 19.836 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.366 17.004 18.997 1.00 0.00 H new ATOM 1630 N SER A 104 -0.990 11.106 20.063 1.00 0.00 N ATOM 1631 CA SER A 104 -1.452 10.689 21.419 1.00 0.00 C ATOM 1632 C SER A 104 -2.658 11.529 21.851 1.00 0.00 C ATOM 1633 O SER A 104 -3.008 12.501 21.213 1.00 0.00 O ATOM 1634 CB SER A 104 -0.262 10.947 22.344 1.00 0.00 C ATOM 1635 OG SER A 104 0.252 12.249 22.098 1.00 0.00 O ATOM 0 H SER A 104 -0.036 11.466 20.022 1.00 0.00 H new ATOM 0 HA SER A 104 -1.767 9.646 21.442 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.570 10.856 23.386 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.513 10.200 22.175 1.00 0.00 H new ATOM 0 HG SER A 104 1.014 12.417 22.691 1.00 0.00 H new ATOM 1641 N GLY A 105 -3.292 11.161 22.932 1.00 0.00 N ATOM 1642 CA GLY A 105 -4.476 11.935 23.407 1.00 0.00 C ATOM 1643 C GLY A 105 -5.718 11.501 22.628 1.00 0.00 C ATOM 1644 O GLY A 105 -6.608 12.289 22.373 1.00 0.00 O ATOM 0 H GLY A 105 -3.041 10.357 23.507 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.627 11.770 24.474 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.304 13.003 23.271 1.00 0.00 H new ATOM 1648 N GLN A 106 -5.786 10.254 22.247 1.00 0.00 N ATOM 1649 CA GLN A 106 -6.972 9.766 21.483 1.00 0.00 C ATOM 1650 C GLN A 106 -7.392 8.381 21.979 1.00 0.00 C ATOM 1651 O GLN A 106 -6.654 7.711 22.676 1.00 0.00 O ATOM 1652 CB GLN A 106 -6.505 9.695 20.028 1.00 0.00 C ATOM 1653 CG GLN A 106 -7.720 9.548 19.110 1.00 0.00 C ATOM 1654 CD GLN A 106 -7.295 9.782 17.659 1.00 0.00 C ATOM 1655 OE1 GLN A 106 -7.542 8.956 16.802 1.00 0.00 O ATOM 1656 NE2 GLN A 106 -6.663 10.879 17.345 1.00 0.00 N ATOM 0 H GLN A 106 -5.071 9.551 22.432 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.836 10.420 21.604 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -5.947 10.595 19.769 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.829 8.851 19.892 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.152 8.553 19.218 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.492 10.263 19.394 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.456 11.572 18.064 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.376 11.044 16.380 1.00 0.00 H new ATOM 1665 N SER A 107 -8.573 7.949 21.629 1.00 0.00 N ATOM 1666 CA SER A 107 -9.044 6.607 22.081 1.00 0.00 C ATOM 1667 C SER A 107 -9.718 5.864 20.923 1.00 0.00 C ATOM 1668 O SER A 107 -9.889 6.400 19.845 1.00 0.00 O ATOM 1669 CB SER A 107 -10.056 6.894 23.189 1.00 0.00 C ATOM 1670 OG SER A 107 -9.416 7.622 24.230 1.00 0.00 O ATOM 0 H SER A 107 -9.233 8.467 21.049 1.00 0.00 H new ATOM 0 HA SER A 107 -8.224 5.979 22.429 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.895 7.465 22.792 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.462 5.960 23.578 1.00 0.00 H new ATOM 0 HG SER A 107 -10.062 7.810 24.943 1.00 0.00 H new