USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=15 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 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 35 GLN : amide:sc= 1.01 K(o=2.2,f=-0.89) USER MOD Set 2.2: A 52 THR OG1 : rot 141:sc= 1.2 USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HE2:sc= -0.0783 X(o=-0.078,f=-0.17) USER MOD Single : A 44 LYS NZ :NH3+ 158:sc= -0.0666 (180deg=-0.889) USER MOD Single : A 46 THR OG1 : rot 106:sc= -2.83! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.473 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -1.04 X(o=-1,f=-1.5!) USER MOD Single : A 74 THR OG1 : rot 28:sc= 0.213 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0569 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc=-0.000365 X(o=-0.00036,f=0) 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 -151:sc= -4.87! (180deg=-6.82!) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 104 SER OG : rot -103:sc= 0.0492 USER MOD Single : A 106 GLN : amide:sc= -4.59! C(o=-4.6!,f=-6.4!) USER MOD Single : A 107 SER OG : rot 180:sc= -0.0418 USER MOD ----------------------------------------------------------------- ATOM 525 N GLN A 35 6.734 -11.074 -1.392 1.00 0.00 N ATOM 526 CA GLN A 35 5.775 -9.931 -1.330 1.00 0.00 C ATOM 527 C GLN A 35 4.383 -10.434 -0.940 1.00 0.00 C ATOM 528 O GLN A 35 4.009 -11.549 -1.244 1.00 0.00 O ATOM 529 CB GLN A 35 5.756 -9.346 -2.744 1.00 0.00 C ATOM 530 CG GLN A 35 5.165 -7.935 -2.704 1.00 0.00 C ATOM 531 CD GLN A 35 5.084 -7.374 -4.124 1.00 0.00 C ATOM 532 OE1 GLN A 35 4.027 -7.363 -4.728 1.00 0.00 O ATOM 533 NE2 GLN A 35 6.162 -6.907 -4.692 1.00 0.00 N ATOM 0 HA GLN A 35 6.067 -9.188 -0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.767 -9.317 -3.151 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.165 -9.981 -3.404 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.173 -7.958 -2.254 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.783 -7.288 -2.081 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.049 -6.915 -4.188 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.118 -6.534 -5.640 1.00 0.00 H new ATOM 542 N ARG A 36 3.616 -9.620 -0.265 1.00 0.00 N ATOM 543 CA ARG A 36 2.249 -10.053 0.149 1.00 0.00 C ATOM 544 C ARG A 36 1.283 -8.861 0.111 1.00 0.00 C ATOM 545 O ARG A 36 1.637 -7.771 0.517 1.00 0.00 O ATOM 546 CB ARG A 36 2.420 -10.561 1.581 1.00 0.00 C ATOM 547 CG ARG A 36 1.295 -11.543 1.916 1.00 0.00 C ATOM 548 CD ARG A 36 1.448 -12.806 1.067 1.00 0.00 C ATOM 549 NE ARG A 36 1.152 -13.934 1.994 1.00 0.00 N ATOM 550 CZ ARG A 36 1.216 -15.164 1.566 1.00 0.00 C ATOM 551 NH1 ARG A 36 2.275 -15.578 0.924 1.00 0.00 N ATOM 552 NH2 ARG A 36 0.222 -15.982 1.779 1.00 0.00 N ATOM 0 H ARG A 36 3.876 -8.675 0.017 1.00 0.00 H new ATOM 0 HA ARG A 36 1.835 -10.816 -0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.388 -11.050 1.691 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.405 -9.724 2.279 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.325 -11.799 2.975 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.326 -11.080 1.727 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.760 -12.799 0.222 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.455 -12.886 0.657 1.00 0.00 H new ATOM 0 HE ARG A 36 0.899 -13.744 2.964 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.052 -14.939 0.757 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.325 -16.540 0.589 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.606 -15.659 2.280 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.272 -16.944 1.444 1.00 0.00 H new ATOM 566 N PRO A 37 0.088 -9.103 -0.369 1.00 0.00 N ATOM 567 CA PRO A 37 -0.929 -8.022 -0.447 1.00 0.00 C ATOM 568 C PRO A 37 -1.427 -7.661 0.954 1.00 0.00 C ATOM 569 O PRO A 37 -2.331 -8.280 1.480 1.00 0.00 O ATOM 570 CB PRO A 37 -2.047 -8.639 -1.284 1.00 0.00 C ATOM 571 CG PRO A 37 -1.896 -10.114 -1.098 1.00 0.00 C ATOM 572 CD PRO A 37 -0.431 -10.380 -0.880 1.00 0.00 C ATOM 0 HA PRO A 37 -0.544 -7.099 -0.880 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.026 -8.297 -0.949 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.954 -8.361 -2.334 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.482 -10.458 -0.245 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.260 -10.653 -1.973 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.274 -11.189 -0.167 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.064 -10.671 -1.806 1.00 0.00 H new ATOM 580 N PHE A 38 -0.844 -6.663 1.559 1.00 0.00 N ATOM 581 CA PHE A 38 -1.279 -6.257 2.928 1.00 0.00 C ATOM 582 C PHE A 38 -2.390 -5.207 2.840 1.00 0.00 C ATOM 583 O PHE A 38 -2.318 -4.277 2.061 1.00 0.00 O ATOM 584 CB PHE A 38 -0.033 -5.662 3.582 1.00 0.00 C ATOM 585 CG PHE A 38 0.933 -6.767 3.939 1.00 0.00 C ATOM 586 CD1 PHE A 38 0.504 -7.845 4.724 1.00 0.00 C ATOM 587 CD2 PHE A 38 2.255 -6.714 3.486 1.00 0.00 C ATOM 588 CE1 PHE A 38 1.399 -8.869 5.055 1.00 0.00 C ATOM 589 CE2 PHE A 38 3.150 -7.738 3.817 1.00 0.00 C ATOM 590 CZ PHE A 38 2.724 -8.815 4.602 1.00 0.00 C ATOM 0 H PHE A 38 -0.084 -6.109 1.165 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.677 -7.096 3.499 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.443 -4.955 2.903 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.311 -5.106 4.477 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.517 -7.886 5.074 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.585 -5.883 2.881 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.068 -9.701 5.659 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.171 -7.697 3.466 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.416 -9.604 4.859 1.00 0.00 H new ATOM 600 N ARG A 39 -3.416 -5.352 3.636 1.00 0.00 N ATOM 601 CA ARG A 39 -4.533 -4.364 3.600 1.00 0.00 C ATOM 602 C ARG A 39 -4.442 -3.411 4.797 1.00 0.00 C ATOM 603 O ARG A 39 -4.643 -3.802 5.933 1.00 0.00 O ATOM 604 CB ARG A 39 -5.808 -5.206 3.679 1.00 0.00 C ATOM 605 CG ARG A 39 -7.028 -4.299 3.501 1.00 0.00 C ATOM 606 CD ARG A 39 -8.243 -5.146 3.117 1.00 0.00 C ATOM 607 NE ARG A 39 -8.476 -6.034 4.288 1.00 0.00 N ATOM 608 CZ ARG A 39 -9.658 -6.088 4.838 1.00 0.00 C ATOM 609 NH1 ARG A 39 -10.671 -6.559 4.165 1.00 0.00 N ATOM 610 NH2 ARG A 39 -9.826 -5.670 6.065 1.00 0.00 N ATOM 0 H ARG A 39 -3.529 -6.111 4.308 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.507 -3.745 2.703 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.797 -5.975 2.907 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.859 -5.719 4.639 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.228 -3.755 4.424 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.832 -3.555 2.729 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.113 -4.521 2.916 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.051 -5.725 2.214 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.713 -6.600 4.660 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.540 -6.886 3.208 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.595 -6.601 4.596 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.034 -5.302 6.591 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.750 -5.712 6.496 1.00 0.00 H new ATOM 624 N VAL A 40 -4.142 -2.165 4.546 1.00 0.00 N ATOM 625 CA VAL A 40 -4.037 -1.170 5.653 1.00 0.00 C ATOM 626 C VAL A 40 -5.295 -0.294 5.692 1.00 0.00 C ATOM 627 O VAL A 40 -5.862 0.036 4.669 1.00 0.00 O ATOM 628 CB VAL A 40 -2.804 -0.330 5.307 1.00 0.00 C ATOM 629 CG1 VAL A 40 -2.673 0.836 6.293 1.00 0.00 C ATOM 630 CG2 VAL A 40 -1.552 -1.208 5.385 1.00 0.00 C ATOM 0 H VAL A 40 -3.964 -1.791 3.614 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.948 -1.641 6.632 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.912 0.066 4.297 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.794 1.429 6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.563 1.463 6.235 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.569 0.446 7.306 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.673 -0.612 5.139 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.449 -1.606 6.394 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.641 -2.032 4.677 1.00 0.00 H new ATOM 640 N CYS A 41 -5.732 0.085 6.864 1.00 0.00 N ATOM 641 CA CYS A 41 -6.955 0.940 6.967 1.00 0.00 C ATOM 642 C CYS A 41 -6.773 2.003 8.058 1.00 0.00 C ATOM 643 O CYS A 41 -6.248 1.732 9.119 1.00 0.00 O ATOM 644 CB CYS A 41 -8.080 -0.025 7.340 1.00 0.00 C ATOM 645 SG CYS A 41 -9.645 0.589 6.669 1.00 0.00 S ATOM 0 H CYS A 41 -5.297 -0.159 7.754 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.164 1.474 6.040 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.867 -1.019 6.946 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.148 -0.120 8.424 1.00 0.00 H new ATOM 0 HG CYS A 41 -10.603 -0.231 6.983 1.00 0.00 H new ATOM 651 N ASP A 42 -7.208 3.208 7.801 1.00 0.00 N ATOM 652 CA ASP A 42 -7.069 4.290 8.822 1.00 0.00 C ATOM 653 C ASP A 42 -8.182 4.176 9.868 1.00 0.00 C ATOM 654 O ASP A 42 -9.035 3.315 9.779 1.00 0.00 O ATOM 655 CB ASP A 42 -7.187 5.601 8.046 1.00 0.00 C ATOM 656 CG ASP A 42 -6.356 6.677 8.745 1.00 0.00 C ATOM 657 OD1 ASP A 42 -6.567 6.883 9.929 1.00 0.00 O ATOM 658 OD2 ASP A 42 -5.524 7.279 8.085 1.00 0.00 O ATOM 0 H ASP A 42 -7.654 3.491 6.928 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.122 4.227 9.358 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.839 5.464 7.022 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.231 5.911 7.989 1.00 0.00 H new ATOM 663 N HIS A 43 -8.161 5.022 10.871 1.00 0.00 N ATOM 664 CA HIS A 43 -9.199 4.960 11.950 1.00 0.00 C ATOM 665 C HIS A 43 -10.590 4.585 11.397 1.00 0.00 C ATOM 666 O HIS A 43 -10.950 3.424 11.374 1.00 0.00 O ATOM 667 CB HIS A 43 -9.210 6.366 12.557 1.00 0.00 C ATOM 668 CG HIS A 43 -10.219 6.429 13.671 1.00 0.00 C ATOM 669 ND1 HIS A 43 -10.097 5.668 14.821 1.00 0.00 N ATOM 670 CD2 HIS A 43 -11.369 7.163 13.825 1.00 0.00 C ATOM 671 CE1 HIS A 43 -11.148 5.955 15.612 1.00 0.00 C ATOM 672 NE2 HIS A 43 -11.955 6.862 15.051 1.00 0.00 N ATOM 0 H HIS A 43 -7.465 5.758 10.989 1.00 0.00 H new ATOM 0 HA HIS A 43 -8.967 4.189 12.684 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.219 6.617 12.936 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.454 7.102 11.791 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -9.347 5.009 15.031 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.759 7.867 13.105 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -11.318 5.508 16.580 1.00 0.00 H new ATOM 680 N LYS A 44 -11.381 5.540 10.964 1.00 0.00 N ATOM 681 CA LYS A 44 -12.736 5.181 10.440 1.00 0.00 C ATOM 682 C LYS A 44 -12.713 4.980 8.919 1.00 0.00 C ATOM 683 O LYS A 44 -12.852 3.876 8.429 1.00 0.00 O ATOM 684 CB LYS A 44 -13.627 6.370 10.810 1.00 0.00 C ATOM 685 CG LYS A 44 -15.050 6.125 10.302 1.00 0.00 C ATOM 686 CD LYS A 44 -15.666 4.943 11.054 1.00 0.00 C ATOM 687 CE LYS A 44 -17.144 4.811 10.680 1.00 0.00 C ATOM 688 NZ LYS A 44 -17.149 4.521 9.220 1.00 0.00 N ATOM 0 H LYS A 44 -11.152 6.534 10.951 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.095 4.243 10.863 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.635 6.508 11.891 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.227 7.286 10.374 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.658 7.018 10.447 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.035 5.920 9.232 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.134 4.024 10.806 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.564 5.090 12.129 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.623 4.010 11.243 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.690 5.728 10.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.044 4.060 8.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.051 5.410 8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.355 3.890 8.989 1.00 0.00 H new ATOM 702 N ARG A 45 -12.548 6.038 8.169 1.00 0.00 N ATOM 703 CA ARG A 45 -12.527 5.902 6.680 1.00 0.00 C ATOM 704 C ARG A 45 -11.723 7.039 6.033 1.00 0.00 C ATOM 705 O ARG A 45 -11.868 7.312 4.858 1.00 0.00 O ATOM 706 CB ARG A 45 -13.994 5.980 6.259 1.00 0.00 C ATOM 707 CG ARG A 45 -14.204 5.157 4.985 1.00 0.00 C ATOM 708 CD ARG A 45 -15.687 4.813 4.835 1.00 0.00 C ATOM 709 NE ARG A 45 -15.711 3.390 4.398 1.00 0.00 N ATOM 710 CZ ARG A 45 -16.739 2.925 3.742 1.00 0.00 C ATOM 711 NH1 ARG A 45 -17.205 3.576 2.712 1.00 0.00 N ATOM 712 NH2 ARG A 45 -17.302 1.809 4.118 1.00 0.00 N ATOM 0 H ARG A 45 -12.427 6.988 8.520 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.053 4.973 6.365 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.633 5.603 7.058 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.279 7.018 6.085 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -13.861 5.719 4.116 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -13.611 4.243 5.028 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.220 4.946 5.777 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.170 5.459 4.102 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.923 2.778 4.611 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.766 4.449 2.419 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -18.008 3.212 2.200 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -16.939 1.301 4.924 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -18.105 1.445 3.606 1.00 0.00 H new ATOM 726 N THR A 46 -10.893 7.715 6.786 1.00 0.00 N ATOM 727 CA THR A 46 -10.104 8.844 6.197 1.00 0.00 C ATOM 728 C THR A 46 -9.365 8.386 4.934 1.00 0.00 C ATOM 729 O THR A 46 -9.681 8.805 3.838 1.00 0.00 O ATOM 730 CB THR A 46 -9.113 9.256 7.287 1.00 0.00 C ATOM 731 OG1 THR A 46 -8.243 8.172 7.568 1.00 0.00 O ATOM 732 CG2 THR A 46 -9.876 9.647 8.556 1.00 0.00 C ATOM 0 H THR A 46 -10.727 7.537 7.777 1.00 0.00 H new ATOM 0 HA THR A 46 -10.744 9.674 5.898 1.00 0.00 H new ATOM 0 HB THR A 46 -8.529 10.110 6.942 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.360 8.353 7.184 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.168 9.940 9.331 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.541 10.482 8.338 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.463 8.797 8.904 1.00 0.00 H new ATOM 740 N ILE A 47 -8.387 7.531 5.075 1.00 0.00 N ATOM 741 CA ILE A 47 -7.637 7.050 3.875 1.00 0.00 C ATOM 742 C ILE A 47 -7.393 5.542 3.969 1.00 0.00 C ATOM 743 O ILE A 47 -6.707 5.067 4.852 1.00 0.00 O ATOM 744 CB ILE A 47 -6.310 7.813 3.896 1.00 0.00 C ATOM 745 CG1 ILE A 47 -6.585 9.320 3.835 1.00 0.00 C ATOM 746 CG2 ILE A 47 -5.469 7.395 2.687 1.00 0.00 C ATOM 747 CD1 ILE A 47 -5.267 10.091 3.941 1.00 0.00 C ATOM 0 H ILE A 47 -8.075 7.145 5.966 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.189 7.224 2.951 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.769 7.583 4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.089 9.570 2.901 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.253 9.610 4.646 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.523 7.936 2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.275 6.323 2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.010 7.628 1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.467 11.162 3.897 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.780 9.851 4.886 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.614 9.810 3.115 1.00 0.00 H new ATOM 759 N ARG A 48 -7.949 4.787 3.061 1.00 0.00 N ATOM 760 CA ARG A 48 -7.753 3.306 3.090 1.00 0.00 C ATOM 761 C ARG A 48 -6.662 2.900 2.094 1.00 0.00 C ATOM 762 O ARG A 48 -6.594 3.409 0.991 1.00 0.00 O ATOM 763 CB ARG A 48 -9.104 2.721 2.677 1.00 0.00 C ATOM 764 CG ARG A 48 -9.080 1.201 2.848 1.00 0.00 C ATOM 765 CD ARG A 48 -10.514 0.666 2.862 1.00 0.00 C ATOM 766 NE ARG A 48 -10.823 0.356 1.440 1.00 0.00 N ATOM 767 CZ ARG A 48 -11.910 0.826 0.889 1.00 0.00 C ATOM 768 NH1 ARG A 48 -12.136 2.110 0.883 1.00 0.00 N ATOM 769 NH2 ARG A 48 -12.771 0.010 0.347 1.00 0.00 N ATOM 0 H ARG A 48 -8.532 5.131 2.298 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.437 2.948 4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.899 3.153 3.285 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.320 2.977 1.640 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.517 0.742 2.035 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -8.573 0.937 3.776 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.597 -0.223 3.487 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.207 1.405 3.265 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.185 -0.224 0.895 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -11.464 2.748 1.309 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -12.985 2.476 0.453 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.595 -0.995 0.354 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -13.620 0.377 -0.083 1.00 0.00 H new ATOM 783 N LYS A 49 -5.806 1.989 2.476 1.00 0.00 N ATOM 784 CA LYS A 49 -4.717 1.548 1.552 1.00 0.00 C ATOM 785 C LYS A 49 -4.636 0.019 1.527 1.00 0.00 C ATOM 786 O LYS A 49 -4.640 -0.627 2.555 1.00 0.00 O ATOM 787 CB LYS A 49 -3.439 2.148 2.140 1.00 0.00 C ATOM 788 CG LYS A 49 -2.238 1.763 1.274 1.00 0.00 C ATOM 789 CD LYS A 49 -2.177 2.676 0.048 1.00 0.00 C ATOM 790 CE LYS A 49 -1.446 3.971 0.409 1.00 0.00 C ATOM 791 NZ LYS A 49 -1.056 4.572 -0.896 1.00 0.00 N ATOM 0 H LYS A 49 -5.813 1.531 3.387 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.884 1.872 0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.527 3.233 2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.294 1.789 3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.318 1.850 1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.321 0.722 0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.661 2.171 -0.769 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.185 2.901 -0.301 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.091 4.643 0.976 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.571 3.771 1.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.549 5.465 -0.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.437 3.913 -1.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.909 4.758 -1.461 1.00 0.00 H new ATOM 805 N GLY A 50 -4.563 -0.563 0.360 1.00 0.00 N ATOM 806 CA GLY A 50 -4.479 -2.051 0.265 1.00 0.00 C ATOM 807 C GLY A 50 -3.499 -2.436 -0.844 1.00 0.00 C ATOM 808 O GLY A 50 -3.893 -2.836 -1.923 1.00 0.00 O ATOM 0 H GLY A 50 -4.558 -0.072 -0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.151 -2.469 1.217 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.464 -2.469 0.056 1.00 0.00 H new ATOM 812 N LEU A 51 -2.221 -2.317 -0.589 1.00 0.00 N ATOM 813 CA LEU A 51 -1.213 -2.675 -1.631 1.00 0.00 C ATOM 814 C LEU A 51 -0.255 -3.743 -1.097 1.00 0.00 C ATOM 815 O LEU A 51 -0.185 -3.990 0.091 1.00 0.00 O ATOM 816 CB LEU A 51 -0.448 -1.379 -1.925 1.00 0.00 C ATOM 817 CG LEU A 51 -1.240 -0.487 -2.892 1.00 0.00 C ATOM 818 CD1 LEU A 51 -1.579 -1.264 -4.166 1.00 0.00 C ATOM 819 CD2 LEU A 51 -2.534 -0.015 -2.222 1.00 0.00 C ATOM 0 H LEU A 51 -1.833 -1.988 0.295 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.684 -3.081 -2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.263 -0.841 -0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.525 -1.615 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.630 0.378 -3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.141 -0.622 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.658 -1.587 -4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.180 -2.137 -3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.092 0.617 -2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.140 -0.880 -1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.292 0.554 -1.324 1.00 0.00 H new ATOM 831 N THR A 52 0.488 -4.373 -1.969 1.00 0.00 N ATOM 832 CA THR A 52 1.448 -5.422 -1.519 1.00 0.00 C ATOM 833 C THR A 52 2.754 -4.772 -1.054 1.00 0.00 C ATOM 834 O THR A 52 3.327 -3.952 -1.744 1.00 0.00 O ATOM 835 CB THR A 52 1.695 -6.297 -2.752 1.00 0.00 C ATOM 836 OG1 THR A 52 2.250 -5.501 -3.793 1.00 0.00 O ATOM 837 CG2 THR A 52 0.377 -6.917 -3.223 1.00 0.00 C ATOM 0 H THR A 52 0.471 -4.205 -2.975 1.00 0.00 H new ATOM 0 HA THR A 52 1.061 -6.003 -0.681 1.00 0.00 H new ATOM 0 HB THR A 52 2.391 -7.095 -2.494 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.938 -6.014 -4.266 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.560 -7.538 -4.100 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.042 -7.530 -2.425 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.327 -6.125 -3.480 1.00 0.00 H new ATOM 845 N ALA A 53 3.224 -5.129 0.111 1.00 0.00 N ATOM 846 CA ALA A 53 4.492 -4.529 0.619 1.00 0.00 C ATOM 847 C ALA A 53 5.403 -5.618 1.192 1.00 0.00 C ATOM 848 O ALA A 53 4.943 -6.624 1.695 1.00 0.00 O ATOM 849 CB ALA A 53 4.058 -3.559 1.718 1.00 0.00 C ATOM 0 H ALA A 53 2.786 -5.809 0.732 1.00 0.00 H new ATOM 0 HA ALA A 53 5.056 -4.028 -0.168 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.937 -3.075 2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.396 -2.803 1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.531 -4.107 2.499 1.00 0.00 H new ATOM 855 N ALA A 54 6.691 -5.421 1.121 1.00 0.00 N ATOM 856 CA ALA A 54 7.637 -6.439 1.664 1.00 0.00 C ATOM 857 C ALA A 54 8.767 -5.748 2.433 1.00 0.00 C ATOM 858 O ALA A 54 9.708 -5.248 1.850 1.00 0.00 O ATOM 859 CB ALA A 54 8.187 -7.165 0.436 1.00 0.00 C ATOM 0 H ALA A 54 7.131 -4.598 0.710 1.00 0.00 H new ATOM 0 HA ALA A 54 7.153 -7.126 2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.893 -7.932 0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.366 -7.630 -0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.695 -6.451 -0.212 1.00 0.00 H new ATOM 865 N THR A 55 8.678 -5.715 3.735 1.00 0.00 N ATOM 866 CA THR A 55 9.745 -5.051 4.540 1.00 0.00 C ATOM 867 C THR A 55 9.875 -5.728 5.907 1.00 0.00 C ATOM 868 O THR A 55 8.905 -6.188 6.478 1.00 0.00 O ATOM 869 CB THR A 55 9.276 -3.604 4.694 1.00 0.00 C ATOM 870 OG1 THR A 55 8.791 -3.130 3.446 1.00 0.00 O ATOM 871 CG2 THR A 55 10.446 -2.733 5.150 1.00 0.00 C ATOM 0 H THR A 55 7.914 -6.119 4.276 1.00 0.00 H new ATOM 0 HA THR A 55 10.724 -5.113 4.065 1.00 0.00 H new ATOM 0 HB THR A 55 8.479 -3.557 5.436 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.488 -2.203 3.543 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.111 -1.702 5.260 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.819 -3.097 6.107 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.244 -2.778 4.409 1.00 0.00 H new ATOM 879 N ARG A 56 11.069 -5.802 6.432 1.00 0.00 N ATOM 880 CA ARG A 56 11.267 -6.457 7.758 1.00 0.00 C ATOM 881 C ARG A 56 11.135 -5.434 8.895 1.00 0.00 C ATOM 882 O ARG A 56 10.107 -5.342 9.538 1.00 0.00 O ATOM 883 CB ARG A 56 12.685 -7.037 7.703 1.00 0.00 C ATOM 884 CG ARG A 56 13.054 -7.633 9.062 1.00 0.00 C ATOM 885 CD ARG A 56 14.396 -8.366 8.956 1.00 0.00 C ATOM 886 NE ARG A 56 14.048 -9.813 9.006 1.00 0.00 N ATOM 887 CZ ARG A 56 14.667 -10.660 8.231 1.00 0.00 C ATOM 888 NH1 ARG A 56 15.967 -10.774 8.296 1.00 0.00 N ATOM 889 NH2 ARG A 56 13.989 -11.394 7.391 1.00 0.00 N ATOM 0 H ARG A 56 11.917 -5.437 5.999 1.00 0.00 H new ATOM 0 HA ARG A 56 10.520 -7.226 7.953 1.00 0.00 H new ATOM 0 HB2 ARG A 56 12.744 -7.804 6.931 1.00 0.00 H new ATOM 0 HB3 ARG A 56 13.397 -6.257 7.432 1.00 0.00 H new ATOM 0 HG2 ARG A 56 13.118 -6.844 9.811 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.277 -8.323 9.391 1.00 0.00 H new ATOM 0 HD2 ARG A 56 14.911 -8.115 8.028 1.00 0.00 H new ATOM 0 HD3 ARG A 56 15.062 -8.091 9.774 1.00 0.00 H new ATOM 0 HE ARG A 56 13.325 -10.142 9.646 1.00 0.00 H new ATOM 0 HH11 ARG A 56 16.497 -10.201 8.952 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.452 -11.436 7.690 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.974 -11.305 7.340 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.474 -12.056 6.785 1.00 0.00 H new ATOM 903 N GLN A 57 12.165 -4.672 9.157 1.00 0.00 N ATOM 904 CA GLN A 57 12.096 -3.668 10.260 1.00 0.00 C ATOM 905 C GLN A 57 11.586 -2.322 9.737 1.00 0.00 C ATOM 906 O GLN A 57 10.886 -1.606 10.424 1.00 0.00 O ATOM 907 CB GLN A 57 13.534 -3.535 10.764 1.00 0.00 C ATOM 908 CG GLN A 57 13.541 -2.773 12.090 1.00 0.00 C ATOM 909 CD GLN A 57 14.978 -2.387 12.449 1.00 0.00 C ATOM 910 OE1 GLN A 57 15.719 -3.192 12.979 1.00 0.00 O ATOM 911 NE2 GLN A 57 15.405 -1.185 12.181 1.00 0.00 N ATOM 0 H GLN A 57 13.052 -4.702 8.654 1.00 0.00 H new ATOM 0 HA GLN A 57 11.410 -3.976 11.049 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.977 -4.522 10.897 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.142 -3.010 10.027 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.922 -1.879 12.011 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.111 -3.390 12.879 1.00 0.00 H new ATOM 0 HE21 GLN A 57 14.783 -0.510 11.736 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.361 -0.919 12.416 1.00 0.00 H new ATOM 920 N GLU A 58 11.934 -1.972 8.528 1.00 0.00 N ATOM 921 CA GLU A 58 11.469 -0.670 7.962 1.00 0.00 C ATOM 922 C GLU A 58 9.979 -0.738 7.601 1.00 0.00 C ATOM 923 O GLU A 58 9.386 0.247 7.203 1.00 0.00 O ATOM 924 CB GLU A 58 12.325 -0.452 6.712 1.00 0.00 C ATOM 925 CG GLU A 58 11.908 0.849 6.021 1.00 0.00 C ATOM 926 CD GLU A 58 12.953 1.226 4.969 1.00 0.00 C ATOM 927 OE1 GLU A 58 13.042 0.525 3.974 1.00 0.00 O ATOM 928 OE2 GLU A 58 13.646 2.208 5.177 1.00 0.00 O ATOM 0 H GLU A 58 12.520 -2.530 7.907 1.00 0.00 H new ATOM 0 HA GLU A 58 11.575 0.148 8.674 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.379 -0.408 6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.207 -1.292 6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.932 0.727 5.552 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.811 1.648 6.756 1.00 0.00 H new ATOM 935 N LEU A 59 9.365 -1.888 7.736 1.00 0.00 N ATOM 936 CA LEU A 59 7.917 -2.013 7.402 1.00 0.00 C ATOM 937 C LEU A 59 7.097 -0.997 8.207 1.00 0.00 C ATOM 938 O LEU A 59 6.252 -0.304 7.672 1.00 0.00 O ATOM 939 CB LEU A 59 7.548 -3.442 7.804 1.00 0.00 C ATOM 940 CG LEU A 59 6.073 -3.688 7.509 1.00 0.00 C ATOM 941 CD1 LEU A 59 5.863 -3.787 5.996 1.00 0.00 C ATOM 942 CD2 LEU A 59 5.628 -4.993 8.173 1.00 0.00 C ATOM 0 H LEU A 59 9.808 -2.746 8.064 1.00 0.00 H new ATOM 0 HA LEU A 59 7.714 -1.817 6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.163 -4.156 7.256 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.748 -3.596 8.864 1.00 0.00 H new ATOM 0 HG LEU A 59 5.483 -2.861 7.904 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.808 -3.963 5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.177 -2.856 5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.454 -4.612 5.600 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.573 -5.168 7.961 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.219 -5.821 7.781 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.775 -4.921 9.251 1.00 0.00 H new ATOM 954 N LEU A 60 7.341 -0.903 9.488 1.00 0.00 N ATOM 955 CA LEU A 60 6.578 0.068 10.327 1.00 0.00 C ATOM 956 C LEU A 60 6.779 1.494 9.803 1.00 0.00 C ATOM 957 O LEU A 60 5.887 2.316 9.855 1.00 0.00 O ATOM 958 CB LEU A 60 7.160 -0.076 11.734 1.00 0.00 C ATOM 959 CG LEU A 60 6.230 0.597 12.746 1.00 0.00 C ATOM 960 CD1 LEU A 60 5.247 -0.433 13.304 1.00 0.00 C ATOM 961 CD2 LEU A 60 7.062 1.179 13.891 1.00 0.00 C ATOM 0 H LEU A 60 8.036 -1.457 9.989 1.00 0.00 H new ATOM 0 HA LEU A 60 5.506 -0.127 10.310 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.282 -1.130 11.982 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.150 0.378 11.777 1.00 0.00 H new ATOM 0 HG LEU A 60 5.676 1.396 12.254 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.586 0.048 14.024 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.655 -0.849 12.489 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.799 -1.233 13.797 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.402 1.659 14.613 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.616 0.379 14.382 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.762 1.915 13.495 1.00 0.00 H new ATOM 973 N ALA A 61 7.950 1.788 9.299 1.00 0.00 N ATOM 974 CA ALA A 61 8.217 3.160 8.769 1.00 0.00 C ATOM 975 C ALA A 61 7.176 3.532 7.710 1.00 0.00 C ATOM 976 O ALA A 61 6.786 4.679 7.587 1.00 0.00 O ATOM 977 CB ALA A 61 9.609 3.080 8.142 1.00 0.00 C ATOM 0 H ALA A 61 8.733 1.138 9.231 1.00 0.00 H new ATOM 0 HA ALA A 61 8.163 3.919 9.549 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.878 4.052 7.729 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.335 2.795 8.903 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.607 2.335 7.346 1.00 0.00 H new ATOM 983 N LYS A 62 6.722 2.575 6.947 1.00 0.00 N ATOM 984 CA LYS A 62 5.704 2.874 5.897 1.00 0.00 C ATOM 985 C LYS A 62 4.429 3.420 6.543 1.00 0.00 C ATOM 986 O LYS A 62 3.920 4.452 6.154 1.00 0.00 O ATOM 987 CB LYS A 62 5.426 1.530 5.216 1.00 0.00 C ATOM 988 CG LYS A 62 4.408 1.724 4.086 1.00 0.00 C ATOM 989 CD LYS A 62 3.176 0.849 4.344 1.00 0.00 C ATOM 990 CE LYS A 62 2.581 0.390 3.010 1.00 0.00 C ATOM 991 NZ LYS A 62 1.407 1.278 2.785 1.00 0.00 N ATOM 0 H LYS A 62 7.011 1.599 7.005 1.00 0.00 H new ATOM 0 HA LYS A 62 6.051 3.625 5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.352 1.115 4.817 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.044 0.815 5.944 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.115 2.772 4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.858 1.461 3.129 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.452 -0.016 4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.433 1.409 4.911 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.306 0.483 2.202 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.281 -0.657 3.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.946 1.024 1.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.730 1.163 3.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.723 2.268 2.743 1.00 0.00 H new ATOM 1005 N ALA A 63 3.913 2.731 7.527 1.00 0.00 N ATOM 1006 CA ALA A 63 2.665 3.196 8.209 1.00 0.00 C ATOM 1007 C ALA A 63 2.758 4.684 8.572 1.00 0.00 C ATOM 1008 O ALA A 63 1.764 5.379 8.632 1.00 0.00 O ATOM 1009 CB ALA A 63 2.579 2.351 9.479 1.00 0.00 C ATOM 0 H ALA A 63 4.303 1.862 7.891 1.00 0.00 H new ATOM 0 HA ALA A 63 1.789 3.085 7.570 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.688 2.629 10.041 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.524 1.296 9.211 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.464 2.524 10.092 1.00 0.00 H new ATOM 1015 N LEU A 64 3.941 5.168 8.822 1.00 0.00 N ATOM 1016 CA LEU A 64 4.102 6.604 9.189 1.00 0.00 C ATOM 1017 C LEU A 64 3.998 7.510 7.954 1.00 0.00 C ATOM 1018 O LEU A 64 3.029 8.220 7.771 1.00 0.00 O ATOM 1019 CB LEU A 64 5.498 6.697 9.809 1.00 0.00 C ATOM 1020 CG LEU A 64 5.559 5.825 11.063 1.00 0.00 C ATOM 1021 CD1 LEU A 64 6.993 5.795 11.597 1.00 0.00 C ATOM 1022 CD2 LEU A 64 4.632 6.406 12.135 1.00 0.00 C ATOM 0 H LEU A 64 4.807 4.630 8.788 1.00 0.00 H new ATOM 0 HA LEU A 64 3.321 6.935 9.873 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.249 6.371 9.090 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.727 7.732 10.062 1.00 0.00 H new ATOM 0 HG LEU A 64 5.241 4.812 10.814 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.035 5.173 12.491 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.656 5.383 10.836 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.310 6.808 11.844 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.675 5.784 13.029 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.951 7.419 12.381 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.609 6.429 11.758 1.00 0.00 H new ATOM 1034 N GLU A 65 5.006 7.507 7.123 1.00 0.00 N ATOM 1035 CA GLU A 65 5.005 8.385 5.911 1.00 0.00 C ATOM 1036 C GLU A 65 3.912 7.990 4.906 1.00 0.00 C ATOM 1037 O GLU A 65 3.589 8.749 4.014 1.00 0.00 O ATOM 1038 CB GLU A 65 6.394 8.192 5.292 1.00 0.00 C ATOM 1039 CG GLU A 65 6.719 9.367 4.367 1.00 0.00 C ATOM 1040 CD GLU A 65 6.035 9.160 3.014 1.00 0.00 C ATOM 1041 OE1 GLU A 65 6.054 8.041 2.527 1.00 0.00 O ATOM 1042 OE2 GLU A 65 5.504 10.124 2.487 1.00 0.00 O ATOM 0 H GLU A 65 5.839 6.929 7.231 1.00 0.00 H new ATOM 0 HA GLU A 65 4.796 9.421 6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.145 8.118 6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.426 7.257 4.732 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.382 10.301 4.817 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.797 9.449 4.232 1.00 0.00 H new ATOM 1049 N THR A 66 3.344 6.814 5.025 1.00 0.00 N ATOM 1050 CA THR A 66 2.284 6.398 4.045 1.00 0.00 C ATOM 1051 C THR A 66 1.235 7.502 3.862 1.00 0.00 C ATOM 1052 O THR A 66 0.883 7.849 2.749 1.00 0.00 O ATOM 1053 CB THR A 66 1.641 5.136 4.631 1.00 0.00 C ATOM 1054 OG1 THR A 66 0.565 4.730 3.796 1.00 0.00 O ATOM 1055 CG2 THR A 66 1.114 5.417 6.037 1.00 0.00 C ATOM 0 H THR A 66 3.563 6.129 5.749 1.00 0.00 H new ATOM 0 HA THR A 66 2.712 6.211 3.060 1.00 0.00 H new ATOM 0 HB THR A 66 2.389 4.345 4.685 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.151 3.922 4.165 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.660 4.513 6.443 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.938 5.728 6.679 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.368 6.210 5.994 1.00 0.00 H new ATOM 1063 N LEU A 67 0.732 8.063 4.931 1.00 0.00 N ATOM 1064 CA LEU A 67 -0.287 9.146 4.791 1.00 0.00 C ATOM 1065 C LEU A 67 0.363 10.515 4.990 1.00 0.00 C ATOM 1066 O LEU A 67 0.223 11.405 4.175 1.00 0.00 O ATOM 1067 CB LEU A 67 -1.308 8.872 5.896 1.00 0.00 C ATOM 1068 CG LEU A 67 -1.974 7.516 5.653 1.00 0.00 C ATOM 1069 CD1 LEU A 67 -2.267 6.845 6.996 1.00 0.00 C ATOM 1070 CD2 LEU A 67 -3.283 7.723 4.889 1.00 0.00 C ATOM 0 H LEU A 67 0.981 7.820 5.890 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.746 9.155 3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.817 8.878 6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.060 9.660 5.914 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.308 6.882 5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.742 5.879 6.824 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.334 6.699 7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.934 7.478 7.581 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.759 6.758 4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.950 8.356 5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.074 8.202 3.933 1.00 0.00 H new ATOM 1082 N LEU A 68 1.079 10.684 6.069 1.00 0.00 N ATOM 1083 CA LEU A 68 1.751 11.991 6.334 1.00 0.00 C ATOM 1084 C LEU A 68 3.164 11.744 6.863 1.00 0.00 C ATOM 1085 O LEU A 68 3.466 10.684 7.374 1.00 0.00 O ATOM 1086 CB LEU A 68 0.903 12.682 7.415 1.00 0.00 C ATOM 1087 CG LEU A 68 -0.338 13.361 6.809 1.00 0.00 C ATOM 1088 CD1 LEU A 68 0.043 14.166 5.562 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.381 12.301 6.443 1.00 0.00 C ATOM 0 H LEU A 68 1.229 9.970 6.782 1.00 0.00 H new ATOM 0 HA LEU A 68 1.831 12.599 5.433 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.591 11.948 8.159 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.508 13.425 7.934 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.758 14.043 7.548 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.848 14.639 5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.769 14.933 5.832 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.479 13.500 4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.258 12.786 6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.957 11.609 5.715 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.672 11.752 7.339 1.00 0.00 H new ATOM 1101 N LEU A 69 4.028 12.716 6.758 1.00 0.00 N ATOM 1102 CA LEU A 69 5.416 12.534 7.268 1.00 0.00 C ATOM 1103 C LEU A 69 5.517 13.055 8.706 1.00 0.00 C ATOM 1104 O LEU A 69 5.323 14.228 8.966 1.00 0.00 O ATOM 1105 CB LEU A 69 6.306 13.350 6.321 1.00 0.00 C ATOM 1106 CG LEU A 69 5.953 14.839 6.418 1.00 0.00 C ATOM 1107 CD1 LEU A 69 7.005 15.561 7.260 1.00 0.00 C ATOM 1108 CD2 LEU A 69 5.922 15.447 5.012 1.00 0.00 C ATOM 0 H LEU A 69 3.833 13.627 6.342 1.00 0.00 H new ATOM 0 HA LEU A 69 5.717 11.487 7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.355 13.200 6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.174 13.003 5.296 1.00 0.00 H new ATOM 0 HG LEU A 69 4.975 14.950 6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.753 16.619 7.328 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.030 15.129 8.260 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.984 15.451 6.793 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.671 16.506 5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.901 15.335 4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.172 14.934 4.410 1.00 0.00 H new ATOM 1120 N ASN A 70 5.808 12.194 9.643 1.00 0.00 N ATOM 1121 CA ASN A 70 5.911 12.644 11.062 1.00 0.00 C ATOM 1122 C ASN A 70 7.120 11.991 11.741 1.00 0.00 C ATOM 1123 O ASN A 70 7.507 10.887 11.413 1.00 0.00 O ATOM 1124 CB ASN A 70 4.610 12.182 11.719 1.00 0.00 C ATOM 1125 CG ASN A 70 4.303 13.078 12.922 1.00 0.00 C ATOM 1126 OD1 ASN A 70 4.475 12.674 14.054 1.00 0.00 O ATOM 1127 ND2 ASN A 70 3.855 14.286 12.721 1.00 0.00 N ATOM 0 H ASN A 70 5.979 11.200 9.489 1.00 0.00 H new ATOM 0 HA ASN A 70 6.048 13.722 11.144 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.791 12.225 11.001 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.699 11.144 12.038 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.649 14.892 13.515 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.711 14.625 11.770 1.00 0.00 H new ATOM 1134 N GLY A 71 7.717 12.672 12.681 1.00 0.00 N ATOM 1135 CA GLY A 71 8.902 12.098 13.384 1.00 0.00 C ATOM 1136 C GLY A 71 8.442 11.040 14.387 1.00 0.00 C ATOM 1137 O GLY A 71 9.083 10.023 14.568 1.00 0.00 O ATOM 0 H GLY A 71 7.436 13.601 12.993 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.587 11.655 12.661 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.450 12.888 13.899 1.00 0.00 H new ATOM 1141 N VAL A 72 7.336 11.271 15.044 1.00 0.00 N ATOM 1142 CA VAL A 72 6.834 10.277 16.039 1.00 0.00 C ATOM 1143 C VAL A 72 5.312 10.143 15.934 1.00 0.00 C ATOM 1144 O VAL A 72 4.589 11.118 15.971 1.00 0.00 O ATOM 1145 CB VAL A 72 7.233 10.843 17.405 1.00 0.00 C ATOM 1146 CG1 VAL A 72 6.864 9.839 18.499 1.00 0.00 C ATOM 1147 CG2 VAL A 72 8.745 11.091 17.439 1.00 0.00 C ATOM 0 H VAL A 72 6.758 12.105 14.935 1.00 0.00 H new ATOM 0 HA VAL A 72 7.250 9.283 15.874 1.00 0.00 H new ATOM 0 HB VAL A 72 6.706 11.782 17.573 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.147 10.240 19.472 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.789 9.659 18.480 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.392 8.901 18.326 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.026 11.494 18.412 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.272 10.152 17.269 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.014 11.804 16.660 1.00 0.00 H new ATOM 1157 N LEU A 73 4.823 8.938 15.806 1.00 0.00 N ATOM 1158 CA LEU A 73 3.349 8.732 15.697 1.00 0.00 C ATOM 1159 C LEU A 73 2.931 7.536 16.558 1.00 0.00 C ATOM 1160 O LEU A 73 3.626 6.540 16.627 1.00 0.00 O ATOM 1161 CB LEU A 73 3.106 8.448 14.209 1.00 0.00 C ATOM 1162 CG LEU A 73 1.641 8.716 13.840 1.00 0.00 C ATOM 1163 CD1 LEU A 73 0.729 7.742 14.589 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.266 10.154 14.209 1.00 0.00 C ATOM 0 H LEU A 73 5.382 8.086 15.772 1.00 0.00 H new ATOM 0 HA LEU A 73 2.773 9.590 16.044 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.760 9.074 13.602 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.359 7.412 13.985 1.00 0.00 H new ATOM 0 HG LEU A 73 1.515 8.575 12.767 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.310 7.938 14.322 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.987 6.719 14.316 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.859 7.875 15.663 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.225 10.338 13.944 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.400 10.301 15.281 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.907 10.848 13.665 1.00 0.00 H new ATOM 1176 N THR A 74 1.808 7.625 17.223 1.00 0.00 N ATOM 1177 CA THR A 74 1.359 6.490 18.082 1.00 0.00 C ATOM 1178 C THR A 74 0.655 5.426 17.236 1.00 0.00 C ATOM 1179 O THR A 74 -0.236 5.723 16.464 1.00 0.00 O ATOM 1180 CB THR A 74 0.384 7.114 19.082 1.00 0.00 C ATOM 1181 OG1 THR A 74 -0.556 7.919 18.384 1.00 0.00 O ATOM 1182 CG2 THR A 74 1.155 7.976 20.082 1.00 0.00 C ATOM 0 H THR A 74 1.185 8.432 17.208 1.00 0.00 H new ATOM 0 HA THR A 74 2.193 5.994 18.579 1.00 0.00 H new ATOM 0 HB THR A 74 -0.141 6.324 19.619 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.669 7.575 17.473 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.458 8.419 20.793 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.875 7.357 20.617 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.682 8.767 19.549 1.00 0.00 H new ATOM 1190 N LEU A 75 1.041 4.187 17.386 1.00 0.00 N ATOM 1191 CA LEU A 75 0.393 3.100 16.600 1.00 0.00 C ATOM 1192 C LEU A 75 -0.528 2.284 17.511 1.00 0.00 C ATOM 1193 O LEU A 75 -0.114 1.785 18.538 1.00 0.00 O ATOM 1194 CB LEU A 75 1.547 2.237 16.086 1.00 0.00 C ATOM 1195 CG LEU A 75 2.315 3.005 15.009 1.00 0.00 C ATOM 1196 CD1 LEU A 75 3.761 2.512 14.962 1.00 0.00 C ATOM 1197 CD2 LEU A 75 1.653 2.775 13.650 1.00 0.00 C ATOM 0 H LEU A 75 1.779 3.881 18.021 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.218 3.482 15.782 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.214 1.976 16.907 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.163 1.302 15.678 1.00 0.00 H new ATOM 0 HG LEU A 75 2.303 4.069 15.244 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.307 3.060 14.194 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.233 2.676 15.931 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.775 1.448 14.728 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.200 3.322 12.882 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.664 1.711 13.415 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.622 3.128 13.683 1.00 0.00 H new ATOM 1209 N VAL A 76 -1.776 2.155 17.147 1.00 0.00 N ATOM 1210 CA VAL A 76 -2.723 1.382 18.002 1.00 0.00 C ATOM 1211 C VAL A 76 -3.521 0.382 17.159 1.00 0.00 C ATOM 1212 O VAL A 76 -3.673 0.544 15.965 1.00 0.00 O ATOM 1213 CB VAL A 76 -3.654 2.431 18.611 1.00 0.00 C ATOM 1214 CG1 VAL A 76 -2.846 3.369 19.512 1.00 0.00 C ATOM 1215 CG2 VAL A 76 -4.312 3.248 17.494 1.00 0.00 C ATOM 0 H VAL A 76 -2.180 2.550 16.298 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.203 0.802 18.764 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.424 1.930 19.198 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.509 4.117 19.946 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.377 2.793 20.310 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.076 3.866 18.922 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.975 3.995 17.931 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.542 3.747 16.906 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.888 2.585 16.849 1.00 0.00 H new ATOM 1225 N LEU A 77 -4.030 -0.647 17.779 1.00 0.00 N ATOM 1226 CA LEU A 77 -4.826 -1.661 17.025 1.00 0.00 C ATOM 1227 C LEU A 77 -6.222 -1.792 17.640 1.00 0.00 C ATOM 1228 O LEU A 77 -6.398 -1.649 18.836 1.00 0.00 O ATOM 1229 CB LEU A 77 -4.044 -2.970 17.172 1.00 0.00 C ATOM 1230 CG LEU A 77 -3.843 -3.296 18.657 1.00 0.00 C ATOM 1231 CD1 LEU A 77 -4.340 -4.715 18.947 1.00 0.00 C ATOM 1232 CD2 LEU A 77 -2.353 -3.200 19.002 1.00 0.00 C ATOM 0 H LEU A 77 -3.930 -0.831 18.777 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.963 -1.388 15.979 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.582 -3.782 16.682 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.077 -2.884 16.676 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.407 -2.585 19.261 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.195 -4.942 20.003 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.400 -4.786 18.702 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.779 -5.428 18.342 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.208 -3.431 20.057 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.792 -3.910 18.394 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.997 -2.190 18.800 1.00 0.00 H new ATOM 1244 N GLU A 78 -7.217 -2.058 16.837 1.00 0.00 N ATOM 1245 CA GLU A 78 -8.602 -2.189 17.379 1.00 0.00 C ATOM 1246 C GLU A 78 -8.914 -3.652 17.718 1.00 0.00 C ATOM 1247 O GLU A 78 -9.861 -3.943 18.422 1.00 0.00 O ATOM 1248 CB GLU A 78 -9.513 -1.694 16.254 1.00 0.00 C ATOM 1249 CG GLU A 78 -10.951 -1.599 16.766 1.00 0.00 C ATOM 1250 CD GLU A 78 -11.916 -1.546 15.579 1.00 0.00 C ATOM 1251 OE1 GLU A 78 -12.031 -2.546 14.890 1.00 0.00 O ATOM 1252 OE2 GLU A 78 -12.521 -0.506 15.380 1.00 0.00 O ATOM 0 H GLU A 78 -7.131 -2.190 15.829 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.737 -1.620 18.299 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.176 -0.719 15.901 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.462 -2.375 15.405 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.181 -2.458 17.396 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.070 -0.709 17.384 1.00 0.00 H new ATOM 1259 N GLU A 79 -8.127 -4.574 17.224 1.00 0.00 N ATOM 1260 CA GLU A 79 -8.385 -6.015 17.521 1.00 0.00 C ATOM 1261 C GLU A 79 -8.419 -6.255 19.034 1.00 0.00 C ATOM 1262 O GLU A 79 -9.311 -6.901 19.550 1.00 0.00 O ATOM 1263 CB GLU A 79 -7.215 -6.769 16.890 1.00 0.00 C ATOM 1264 CG GLU A 79 -7.636 -8.209 16.587 1.00 0.00 C ATOM 1265 CD GLU A 79 -6.653 -8.831 15.593 1.00 0.00 C ATOM 1266 OE1 GLU A 79 -6.416 -8.219 14.564 1.00 0.00 O ATOM 1267 OE2 GLU A 79 -6.156 -9.907 15.877 1.00 0.00 O ATOM 0 H GLU A 79 -7.319 -4.391 16.629 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.346 -6.345 17.127 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.900 -6.271 15.973 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.359 -6.764 17.565 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.658 -8.794 17.507 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.645 -8.225 16.175 1.00 0.00 H new ATOM 1274 N ASP A 80 -7.453 -5.743 19.749 1.00 0.00 N ATOM 1275 CA ASP A 80 -7.428 -5.943 21.227 1.00 0.00 C ATOM 1276 C ASP A 80 -7.615 -4.604 21.946 1.00 0.00 C ATOM 1277 O ASP A 80 -8.127 -4.546 23.047 1.00 0.00 O ATOM 1278 CB ASP A 80 -6.045 -6.526 21.525 1.00 0.00 C ATOM 1279 CG ASP A 80 -6.071 -7.238 22.878 1.00 0.00 C ATOM 1280 OD1 ASP A 80 -7.067 -7.880 23.169 1.00 0.00 O ATOM 1281 OD2 ASP A 80 -5.094 -7.132 23.600 1.00 0.00 O ATOM 0 H ASP A 80 -6.680 -5.194 19.373 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.228 -6.599 21.569 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.757 -7.225 20.740 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.298 -5.732 21.535 1.00 0.00 H new ATOM 1286 N GLY A 81 -7.201 -3.528 21.330 1.00 0.00 N ATOM 1287 CA GLY A 81 -7.355 -2.192 21.975 1.00 0.00 C ATOM 1288 C GLY A 81 -6.115 -1.885 22.817 1.00 0.00 C ATOM 1289 O GLY A 81 -6.203 -1.648 24.004 1.00 0.00 O ATOM 0 H GLY A 81 -6.763 -3.517 20.409 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.491 -1.423 21.215 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.246 -2.180 22.603 1.00 0.00 H new ATOM 1293 N THR A 82 -4.960 -1.888 22.207 1.00 0.00 N ATOM 1294 CA THR A 82 -3.712 -1.597 22.968 1.00 0.00 C ATOM 1295 C THR A 82 -2.771 -0.730 22.129 1.00 0.00 C ATOM 1296 O THR A 82 -2.802 -0.761 20.914 1.00 0.00 O ATOM 1297 CB THR A 82 -3.087 -2.966 23.238 1.00 0.00 C ATOM 1298 OG1 THR A 82 -4.072 -3.835 23.778 1.00 0.00 O ATOM 1299 CG2 THR A 82 -1.934 -2.817 24.234 1.00 0.00 C ATOM 0 H THR A 82 -4.827 -2.080 21.214 1.00 0.00 H new ATOM 0 HA THR A 82 -3.907 -1.049 23.890 1.00 0.00 H new ATOM 0 HB THR A 82 -2.706 -3.382 22.305 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.674 -4.714 23.950 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.490 -3.794 24.425 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.179 -2.150 23.819 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.312 -2.401 25.168 1.00 0.00 H new ATOM 1307 N ALA A 83 -1.929 0.038 22.766 1.00 0.00 N ATOM 1308 CA ALA A 83 -0.983 0.905 22.005 1.00 0.00 C ATOM 1309 C ALA A 83 0.265 0.104 21.626 1.00 0.00 C ATOM 1310 O ALA A 83 0.590 -0.886 22.254 1.00 0.00 O ATOM 1311 CB ALA A 83 -0.622 2.039 22.966 1.00 0.00 C ATOM 0 H ALA A 83 -1.855 0.103 23.781 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.417 1.282 21.079 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.073 2.722 22.478 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.526 2.580 23.246 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.156 1.624 23.860 1.00 0.00 H new ATOM 1317 N VAL A 84 0.964 0.519 20.606 1.00 0.00 N ATOM 1318 CA VAL A 84 2.187 -0.225 20.189 1.00 0.00 C ATOM 1319 C VAL A 84 3.256 0.746 19.682 1.00 0.00 C ATOM 1320 O VAL A 84 2.964 1.703 18.993 1.00 0.00 O ATOM 1321 CB VAL A 84 1.724 -1.149 19.061 1.00 0.00 C ATOM 1322 CG1 VAL A 84 2.898 -2.012 18.590 1.00 0.00 C ATOM 1323 CG2 VAL A 84 0.601 -2.055 19.571 1.00 0.00 C ATOM 0 H VAL A 84 0.742 1.340 20.043 1.00 0.00 H new ATOM 0 HA VAL A 84 2.632 -0.780 21.015 1.00 0.00 H new ATOM 0 HB VAL A 84 1.358 -0.547 18.229 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.567 -2.670 17.786 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.699 -1.369 18.226 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.265 -2.613 19.422 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.271 -2.713 18.767 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.967 -2.655 20.404 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.237 -1.443 19.905 1.00 0.00 H new ATOM 1333 N ASP A 85 4.493 0.503 20.020 1.00 0.00 N ATOM 1334 CA ASP A 85 5.590 1.403 19.563 1.00 0.00 C ATOM 1335 C ASP A 85 6.856 0.585 19.283 1.00 0.00 C ATOM 1336 O ASP A 85 7.959 1.095 19.326 1.00 0.00 O ATOM 1337 CB ASP A 85 5.818 2.373 20.725 1.00 0.00 C ATOM 1338 CG ASP A 85 6.205 1.591 21.982 1.00 0.00 C ATOM 1339 OD1 ASP A 85 5.308 1.156 22.686 1.00 0.00 O ATOM 1340 OD2 ASP A 85 7.393 1.440 22.219 1.00 0.00 O ATOM 0 H ASP A 85 4.792 -0.284 20.596 1.00 0.00 H new ATOM 0 HA ASP A 85 5.341 1.929 18.641 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.605 3.083 20.470 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.914 2.953 20.910 1.00 0.00 H new ATOM 1345 N SER A 86 6.703 -0.685 19.005 1.00 0.00 N ATOM 1346 CA SER A 86 7.892 -1.544 18.730 1.00 0.00 C ATOM 1347 C SER A 86 7.554 -2.595 17.669 1.00 0.00 C ATOM 1348 O SER A 86 6.429 -2.701 17.224 1.00 0.00 O ATOM 1349 CB SER A 86 8.213 -2.213 20.066 1.00 0.00 C ATOM 1350 OG SER A 86 7.021 -2.763 20.613 1.00 0.00 O ATOM 0 H SER A 86 5.804 -1.164 18.957 1.00 0.00 H new ATOM 0 HA SER A 86 8.736 -0.970 18.348 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.957 -2.997 19.924 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.642 -1.487 20.756 1.00 0.00 H new ATOM 0 HG SER A 86 7.223 -3.195 21.469 1.00 0.00 H new ATOM 1356 N GLU A 87 8.525 -3.373 17.261 1.00 0.00 N ATOM 1357 CA GLU A 87 8.269 -4.421 16.226 1.00 0.00 C ATOM 1358 C GLU A 87 7.164 -5.383 16.681 1.00 0.00 C ATOM 1359 O GLU A 87 6.591 -6.102 15.886 1.00 0.00 O ATOM 1360 CB GLU A 87 9.596 -5.167 16.079 1.00 0.00 C ATOM 1361 CG GLU A 87 9.556 -6.034 14.818 1.00 0.00 C ATOM 1362 CD GLU A 87 10.953 -6.094 14.194 1.00 0.00 C ATOM 1363 OE1 GLU A 87 11.873 -6.489 14.889 1.00 0.00 O ATOM 1364 OE2 GLU A 87 11.075 -5.744 13.032 1.00 0.00 O ATOM 0 H GLU A 87 9.486 -3.327 17.601 1.00 0.00 H new ATOM 0 HA GLU A 87 7.933 -3.985 15.285 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.420 -4.456 16.019 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.775 -5.789 16.956 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.213 -7.039 15.066 1.00 0.00 H new ATOM 0 HG3 GLU A 87 8.844 -5.622 14.103 1.00 0.00 H new ATOM 1371 N ASP A 88 6.856 -5.404 17.954 1.00 0.00 N ATOM 1372 CA ASP A 88 5.786 -6.321 18.453 1.00 0.00 C ATOM 1373 C ASP A 88 4.436 -5.991 17.803 1.00 0.00 C ATOM 1374 O ASP A 88 3.481 -6.730 17.941 1.00 0.00 O ATOM 1375 CB ASP A 88 5.725 -6.077 19.962 1.00 0.00 C ATOM 1376 CG ASP A 88 5.268 -7.355 20.668 1.00 0.00 C ATOM 1377 OD1 ASP A 88 4.318 -7.961 20.198 1.00 0.00 O ATOM 1378 OD2 ASP A 88 5.873 -7.707 21.667 1.00 0.00 O ATOM 0 H ASP A 88 7.299 -4.826 18.668 1.00 0.00 H new ATOM 0 HA ASP A 88 6.001 -7.362 18.212 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.705 -5.775 20.332 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.036 -5.261 20.182 1.00 0.00 H new ATOM 1383 N PHE A 89 4.348 -4.886 17.102 1.00 0.00 N ATOM 1384 CA PHE A 89 3.060 -4.496 16.441 1.00 0.00 C ATOM 1385 C PHE A 89 2.384 -5.709 15.785 1.00 0.00 C ATOM 1386 O PHE A 89 1.218 -5.972 16.003 1.00 0.00 O ATOM 1387 CB PHE A 89 3.472 -3.470 15.381 1.00 0.00 C ATOM 1388 CG PHE A 89 2.264 -3.039 14.579 1.00 0.00 C ATOM 1389 CD1 PHE A 89 1.107 -2.611 15.229 1.00 0.00 C ATOM 1390 CD2 PHE A 89 2.312 -3.065 13.182 1.00 0.00 C ATOM 1391 CE1 PHE A 89 -0.010 -2.208 14.488 1.00 0.00 C ATOM 1392 CE2 PHE A 89 1.201 -2.662 12.432 1.00 0.00 C ATOM 1393 CZ PHE A 89 0.026 -2.230 13.079 1.00 0.00 C ATOM 0 H PHE A 89 5.118 -4.233 16.958 1.00 0.00 H new ATOM 0 HA PHE A 89 2.338 -4.097 17.153 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.928 -2.604 15.860 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.223 -3.901 14.719 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.073 -2.590 16.308 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.209 -3.397 12.680 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.903 -1.879 14.998 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.244 -2.682 11.353 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.834 -1.920 12.504 1.00 0.00 H new ATOM 1403 N PHE A 90 3.104 -6.446 14.981 1.00 0.00 N ATOM 1404 CA PHE A 90 2.499 -7.637 14.314 1.00 0.00 C ATOM 1405 C PHE A 90 2.676 -8.886 15.183 1.00 0.00 C ATOM 1406 O PHE A 90 1.928 -9.838 15.073 1.00 0.00 O ATOM 1407 CB PHE A 90 3.264 -7.786 13.000 1.00 0.00 C ATOM 1408 CG PHE A 90 2.718 -6.811 11.984 1.00 0.00 C ATOM 1409 CD1 PHE A 90 1.432 -6.987 11.469 1.00 0.00 C ATOM 1410 CD2 PHE A 90 3.499 -5.733 11.561 1.00 0.00 C ATOM 1411 CE1 PHE A 90 0.922 -6.085 10.529 1.00 0.00 C ATOM 1412 CE2 PHE A 90 2.998 -4.827 10.620 1.00 0.00 C ATOM 1413 CZ PHE A 90 1.700 -4.994 10.092 1.00 0.00 C ATOM 0 H PHE A 90 4.084 -6.275 14.757 1.00 0.00 H new ATOM 0 HA PHE A 90 1.428 -7.516 14.153 1.00 0.00 H new ATOM 0 HB2 PHE A 90 4.326 -7.601 13.162 1.00 0.00 H new ATOM 0 HB3 PHE A 90 3.171 -8.806 12.627 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.830 -7.821 11.797 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.493 -5.598 11.962 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.074 -6.226 10.136 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.607 -3.996 10.296 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.309 -4.297 9.365 1.00 0.00 H new ATOM 1423 N GLN A 91 3.660 -8.891 16.043 1.00 0.00 N ATOM 1424 CA GLN A 91 3.886 -10.081 16.913 1.00 0.00 C ATOM 1425 C GLN A 91 2.919 -10.072 18.105 1.00 0.00 C ATOM 1426 O GLN A 91 2.831 -11.031 18.845 1.00 0.00 O ATOM 1427 CB GLN A 91 5.330 -9.945 17.398 1.00 0.00 C ATOM 1428 CG GLN A 91 5.837 -11.305 17.888 1.00 0.00 C ATOM 1429 CD GLN A 91 7.282 -11.507 17.428 1.00 0.00 C ATOM 1430 OE1 GLN A 91 8.191 -11.528 18.235 1.00 0.00 O ATOM 1431 NE2 GLN A 91 7.533 -11.653 16.156 1.00 0.00 N ATOM 0 H GLN A 91 4.316 -8.122 16.180 1.00 0.00 H new ATOM 0 HA GLN A 91 3.716 -11.016 16.379 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.963 -9.579 16.590 1.00 0.00 H new ATOM 0 HB3 GLN A 91 5.386 -9.213 18.203 1.00 0.00 H new ATOM 0 HG2 GLN A 91 5.780 -11.356 18.975 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.205 -12.103 17.498 1.00 0.00 H new ATOM 0 HE21 GLN A 91 6.769 -11.635 15.480 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.493 -11.785 15.837 1.00 0.00 H new ATOM 1440 N LEU A 92 2.196 -9.000 18.297 1.00 0.00 N ATOM 1441 CA LEU A 92 1.240 -8.940 19.443 1.00 0.00 C ATOM 1442 C LEU A 92 -0.133 -9.480 19.030 1.00 0.00 C ATOM 1443 O LEU A 92 -0.996 -9.700 19.857 1.00 0.00 O ATOM 1444 CB LEU A 92 1.146 -7.455 19.804 1.00 0.00 C ATOM 1445 CG LEU A 92 0.306 -7.288 21.072 1.00 0.00 C ATOM 1446 CD1 LEU A 92 0.923 -6.201 21.956 1.00 0.00 C ATOM 1447 CD2 LEU A 92 -1.124 -6.886 20.693 1.00 0.00 C ATOM 0 H LEU A 92 2.226 -8.165 17.712 1.00 0.00 H new ATOM 0 HA LEU A 92 1.574 -9.547 20.285 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.144 -7.044 19.960 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.697 -6.898 18.982 1.00 0.00 H new ATOM 0 HG LEU A 92 0.285 -8.232 21.617 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.324 -6.083 22.859 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.939 -6.487 22.229 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.946 -5.258 21.410 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.721 -6.768 21.598 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.104 -5.944 20.146 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.566 -7.661 20.066 1.00 0.00 H new ATOM 1459 N LEU A 93 -0.347 -9.696 17.757 1.00 0.00 N ATOM 1460 CA LEU A 93 -1.666 -10.220 17.297 1.00 0.00 C ATOM 1461 C LEU A 93 -1.462 -11.412 16.357 1.00 0.00 C ATOM 1462 O LEU A 93 -0.386 -11.625 15.835 1.00 0.00 O ATOM 1463 CB LEU A 93 -2.317 -9.062 16.533 1.00 0.00 C ATOM 1464 CG LEU A 93 -2.377 -7.816 17.423 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -1.189 -6.903 17.111 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -3.682 -7.060 17.151 1.00 0.00 C ATOM 0 H LEU A 93 0.336 -9.532 17.017 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.280 -10.561 18.130 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.748 -8.846 15.629 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.322 -9.343 16.218 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.338 -8.117 18.470 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.234 -6.018 17.745 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.259 -7.439 17.301 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.227 -6.602 16.064 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.727 -6.173 17.783 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.718 -6.761 16.103 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.530 -7.707 17.373 1.00 0.00 H new ATOM 1478 N GLU A 94 -2.495 -12.181 16.125 1.00 0.00 N ATOM 1479 CA GLU A 94 -2.361 -13.346 15.201 1.00 0.00 C ATOM 1480 C GLU A 94 -2.061 -12.831 13.793 1.00 0.00 C ATOM 1481 O GLU A 94 -2.036 -11.638 13.564 1.00 0.00 O ATOM 1482 CB GLU A 94 -3.719 -14.054 15.246 1.00 0.00 C ATOM 1483 CG GLU A 94 -3.631 -15.262 16.179 1.00 0.00 C ATOM 1484 CD GLU A 94 -4.854 -16.157 15.971 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -5.902 -15.824 16.498 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -4.721 -17.159 15.290 1.00 0.00 O ATOM 0 H GLU A 94 -3.421 -12.053 16.533 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.555 -14.023 15.483 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.489 -13.366 15.595 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.008 -14.374 14.245 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.718 -15.823 15.980 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.581 -14.931 17.216 1.00 0.00 H new ATOM 1493 N ASP A 95 -1.825 -13.700 12.846 1.00 0.00 N ATOM 1494 CA ASP A 95 -1.520 -13.207 11.471 1.00 0.00 C ATOM 1495 C ASP A 95 -2.697 -12.381 10.941 1.00 0.00 C ATOM 1496 O ASP A 95 -3.807 -12.863 10.821 1.00 0.00 O ATOM 1497 CB ASP A 95 -1.318 -14.465 10.627 1.00 0.00 C ATOM 1498 CG ASP A 95 -1.009 -14.072 9.181 1.00 0.00 C ATOM 1499 OD1 ASP A 95 0.036 -13.483 8.961 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -1.822 -14.365 8.321 1.00 0.00 O ATOM 0 H ASP A 95 -1.830 -14.713 12.961 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.640 -12.564 11.447 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -0.501 -15.061 11.035 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -2.213 -15.086 10.662 1.00 0.00 H new ATOM 1505 N ASP A 96 -2.450 -11.143 10.620 1.00 0.00 N ATOM 1506 CA ASP A 96 -3.532 -10.263 10.090 1.00 0.00 C ATOM 1507 C ASP A 96 -2.918 -8.975 9.542 1.00 0.00 C ATOM 1508 O ASP A 96 -1.731 -8.746 9.673 1.00 0.00 O ATOM 1509 CB ASP A 96 -4.441 -9.967 11.286 1.00 0.00 C ATOM 1510 CG ASP A 96 -3.631 -9.321 12.414 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -2.970 -8.331 12.149 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -3.690 -9.825 13.522 1.00 0.00 O ATOM 0 H ASP A 96 -1.536 -10.697 10.702 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.089 -10.729 9.277 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.250 -9.303 10.982 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.901 -10.889 11.640 1.00 0.00 H new ATOM 1517 N THR A 97 -3.707 -8.117 8.952 1.00 0.00 N ATOM 1518 CA THR A 97 -3.140 -6.840 8.436 1.00 0.00 C ATOM 1519 C THR A 97 -4.004 -5.661 8.878 1.00 0.00 C ATOM 1520 O THR A 97 -5.044 -5.389 8.310 1.00 0.00 O ATOM 1521 CB THR A 97 -3.157 -6.970 6.913 1.00 0.00 C ATOM 1522 OG1 THR A 97 -2.890 -8.316 6.544 1.00 0.00 O ATOM 1523 CG2 THR A 97 -2.088 -6.052 6.317 1.00 0.00 C ATOM 0 H THR A 97 -4.709 -8.244 8.807 1.00 0.00 H new ATOM 0 HA THR A 97 -2.134 -6.661 8.815 1.00 0.00 H new ATOM 0 HB THR A 97 -4.138 -6.684 6.534 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.903 -8.396 5.567 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.096 -6.141 5.231 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.297 -5.020 6.598 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.108 -6.340 6.697 1.00 0.00 H new ATOM 1531 N CYS A 98 -3.563 -4.948 9.874 1.00 0.00 N ATOM 1532 CA CYS A 98 -4.327 -3.765 10.353 1.00 0.00 C ATOM 1533 C CYS A 98 -3.340 -2.665 10.730 1.00 0.00 C ATOM 1534 O CYS A 98 -2.366 -2.913 11.414 1.00 0.00 O ATOM 1535 CB CYS A 98 -5.094 -4.253 11.583 1.00 0.00 C ATOM 1536 SG CYS A 98 -6.333 -3.021 12.051 1.00 0.00 S ATOM 0 H CYS A 98 -2.698 -5.136 10.381 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.006 -3.360 9.602 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -5.577 -5.206 11.369 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.405 -4.423 12.410 1.00 0.00 H new ATOM 0 HG CYS A 98 -6.986 -3.437 13.095 1.00 0.00 H new ATOM 1542 N LEU A 99 -3.568 -1.457 10.295 1.00 0.00 N ATOM 1543 CA LEU A 99 -2.616 -0.365 10.642 1.00 0.00 C ATOM 1544 C LEU A 99 -3.357 0.944 10.912 1.00 0.00 C ATOM 1545 O LEU A 99 -3.973 1.513 10.032 1.00 0.00 O ATOM 1546 CB LEU A 99 -1.713 -0.227 9.418 1.00 0.00 C ATOM 1547 CG LEU A 99 -0.567 0.742 9.731 1.00 0.00 C ATOM 1548 CD1 LEU A 99 0.769 -0.001 9.650 1.00 0.00 C ATOM 1549 CD2 LEU A 99 -0.576 1.887 8.714 1.00 0.00 C ATOM 0 H LEU A 99 -4.364 -1.180 9.720 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.053 -0.591 11.548 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.313 -1.201 9.137 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.289 0.138 8.568 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.697 1.145 10.735 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.583 0.689 9.873 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.776 -0.816 10.373 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.900 -0.405 8.646 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.238 2.577 8.935 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.446 1.483 7.710 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.526 2.417 8.772 1.00 0.00 H new ATOM 1561 N MET A 100 -3.282 1.436 12.117 1.00 0.00 N ATOM 1562 CA MET A 100 -3.963 2.721 12.442 1.00 0.00 C ATOM 1563 C MET A 100 -2.911 3.771 12.806 1.00 0.00 C ATOM 1564 O MET A 100 -1.998 3.504 13.564 1.00 0.00 O ATOM 1565 CB MET A 100 -4.851 2.405 13.645 1.00 0.00 C ATOM 1566 CG MET A 100 -5.628 3.658 14.057 1.00 0.00 C ATOM 1567 SD MET A 100 -7.319 3.203 14.522 1.00 0.00 S ATOM 1568 CE MET A 100 -6.895 2.074 15.872 1.00 0.00 C ATOM 0 H MET A 100 -2.778 1.004 12.892 1.00 0.00 H new ATOM 0 HA MET A 100 -4.545 3.116 11.609 1.00 0.00 H new ATOM 0 HB2 MET A 100 -5.544 1.601 13.396 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.241 2.054 14.477 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.130 4.148 14.894 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.647 4.373 13.234 1.00 0.00 H new ATOM 0 HE1 MET A 100 -7.669 1.313 15.966 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.939 1.595 15.659 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.821 2.634 16.804 1.00 0.00 H new ATOM 1578 N VAL A 101 -3.026 4.957 12.275 1.00 0.00 N ATOM 1579 CA VAL A 101 -2.020 6.010 12.599 1.00 0.00 C ATOM 1580 C VAL A 101 -2.723 7.321 12.962 1.00 0.00 C ATOM 1581 O VAL A 101 -3.332 7.964 12.131 1.00 0.00 O ATOM 1582 CB VAL A 101 -1.200 6.170 11.317 1.00 0.00 C ATOM 1583 CG1 VAL A 101 -0.143 7.259 11.505 1.00 0.00 C ATOM 1584 CG2 VAL A 101 -0.509 4.845 10.987 1.00 0.00 C ATOM 0 H VAL A 101 -3.767 5.242 11.635 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.396 5.744 13.453 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.865 6.453 10.501 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.436 7.366 10.588 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.632 8.205 11.738 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.522 6.983 12.324 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.076 4.957 10.074 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.151 4.564 11.808 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.260 4.069 10.844 1.00 0.00 H new ATOM 1594 N LEU A 102 -2.628 7.721 14.201 1.00 0.00 N ATOM 1595 CA LEU A 102 -3.273 8.993 14.636 1.00 0.00 C ATOM 1596 C LEU A 102 -2.455 9.649 15.755 1.00 0.00 C ATOM 1597 O LEU A 102 -1.485 9.093 16.235 1.00 0.00 O ATOM 1598 CB LEU A 102 -4.681 8.608 15.122 1.00 0.00 C ATOM 1599 CG LEU A 102 -4.650 7.276 15.885 1.00 0.00 C ATOM 1600 CD1 LEU A 102 -3.775 7.410 17.128 1.00 0.00 C ATOM 1601 CD2 LEU A 102 -6.072 6.900 16.305 1.00 0.00 C ATOM 0 H LEU A 102 -2.128 7.218 14.935 1.00 0.00 H new ATOM 0 HA LEU A 102 -3.328 9.720 13.825 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.075 9.393 15.768 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.356 8.528 14.270 1.00 0.00 H new ATOM 0 HG LEU A 102 -4.239 6.501 15.238 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.757 6.461 17.665 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -2.761 7.678 16.832 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.181 8.186 17.777 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.053 5.955 16.847 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.479 7.679 16.949 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.698 6.798 15.419 1.00 0.00 H new ATOM 1613 N GLN A 103 -2.840 10.824 16.176 1.00 0.00 N ATOM 1614 CA GLN A 103 -2.088 11.509 17.266 1.00 0.00 C ATOM 1615 C GLN A 103 -2.502 10.940 18.625 1.00 0.00 C ATOM 1616 O GLN A 103 -3.534 10.313 18.756 1.00 0.00 O ATOM 1617 CB GLN A 103 -2.480 12.984 17.159 1.00 0.00 C ATOM 1618 CG GLN A 103 -1.538 13.827 18.022 1.00 0.00 C ATOM 1619 CD GLN A 103 -1.700 15.305 17.664 1.00 0.00 C ATOM 1620 OE1 GLN A 103 -2.794 15.761 17.396 1.00 0.00 O ATOM 1621 NE2 GLN A 103 -0.648 16.078 17.647 1.00 0.00 N ATOM 0 H GLN A 103 -3.642 11.338 15.812 1.00 0.00 H new ATOM 0 HA GLN A 103 -1.011 11.370 17.175 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.428 13.310 16.120 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.511 13.122 17.486 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.759 13.672 19.078 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.506 13.515 17.863 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.270 15.695 17.872 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.744 17.065 17.409 1.00 0.00 H new ATOM 1630 N SER A 104 -1.703 11.151 19.637 1.00 0.00 N ATOM 1631 CA SER A 104 -2.051 10.619 20.988 1.00 0.00 C ATOM 1632 C SER A 104 -3.303 11.318 21.527 1.00 0.00 C ATOM 1633 O SER A 104 -3.754 12.309 20.986 1.00 0.00 O ATOM 1634 CB SER A 104 -0.842 10.937 21.865 1.00 0.00 C ATOM 1635 OG SER A 104 -0.437 12.281 21.640 1.00 0.00 O ATOM 0 H SER A 104 -0.825 11.668 19.587 1.00 0.00 H new ATOM 0 HA SER A 104 -2.268 9.551 20.966 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.093 10.792 22.916 1.00 0.00 H new ATOM 0 HB3 SER A 104 -0.023 10.255 21.636 1.00 0.00 H new ATOM 0 HG SER A 104 0.360 12.291 21.070 1.00 0.00 H new ATOM 1641 N GLY A 105 -3.865 10.808 22.590 1.00 0.00 N ATOM 1642 CA GLY A 105 -5.086 11.440 23.168 1.00 0.00 C ATOM 1643 C GLY A 105 -6.328 10.923 22.439 1.00 0.00 C ATOM 1644 O GLY A 105 -7.314 11.619 22.305 1.00 0.00 O ATOM 0 H GLY A 105 -3.531 9.980 23.083 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.156 11.213 24.232 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.024 12.524 23.077 1.00 0.00 H new ATOM 1648 N GLN A 106 -6.285 9.705 21.968 1.00 0.00 N ATOM 1649 CA GLN A 106 -7.466 9.143 21.247 1.00 0.00 C ATOM 1650 C GLN A 106 -7.828 7.766 21.811 1.00 0.00 C ATOM 1651 O GLN A 106 -7.032 7.128 22.476 1.00 0.00 O ATOM 1652 CB GLN A 106 -7.021 9.024 19.791 1.00 0.00 C ATOM 1653 CG GLN A 106 -8.250 8.879 18.891 1.00 0.00 C ATOM 1654 CD GLN A 106 -7.880 9.256 17.455 1.00 0.00 C ATOM 1655 OE1 GLN A 106 -7.014 10.079 17.234 1.00 0.00 O ATOM 1656 NE2 GLN A 106 -8.506 8.686 16.463 1.00 0.00 N ATOM 0 H GLN A 106 -5.486 9.076 22.051 1.00 0.00 H new ATOM 0 HA GLN A 106 -8.350 9.771 21.354 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -6.447 9.905 19.502 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -6.365 8.162 19.670 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.620 7.854 18.925 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.055 9.520 19.251 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.233 7.995 16.648 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.269 8.931 15.502 1.00 0.00 H new ATOM 1665 N SER A 107 -9.022 7.304 21.555 1.00 0.00 N ATOM 1666 CA SER A 107 -9.440 5.969 22.076 1.00 0.00 C ATOM 1667 C SER A 107 -10.217 5.201 21.004 1.00 0.00 C ATOM 1668 O SER A 107 -10.549 5.734 19.961 1.00 0.00 O ATOM 1669 CB SER A 107 -10.337 6.275 23.273 1.00 0.00 C ATOM 1670 OG SER A 107 -9.744 7.306 24.054 1.00 0.00 O ATOM 0 H SER A 107 -9.728 7.794 21.006 1.00 0.00 H new ATOM 0 HA SER A 107 -8.588 5.349 22.354 1.00 0.00 H new ATOM 0 HB2 SER A 107 -11.325 6.584 22.932 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.474 5.378 23.878 1.00 0.00 H new ATOM 0 HG SER A 107 -10.318 7.506 24.822 1.00 0.00 H new