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 35 GLN : amide:sc= -0.84 K(o=-0.55,f=-6.9!) USER MOD Set 1.2: A 52 THR OG1 : rot 146:sc= 0.294 USER MOD Single : A 41 CYS SG : rot 18:sc= 0.0233 USER MOD Single : A 43 HIS : no HD1:sc= -0.0325 X(o=-0.033,f=-0.033) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -120:sc= -3.24! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -36:sc= -0.467! USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.5) 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= -1.27 X(o=-1.3,f=-0.94!) USER MOD Single : A 74 THR OG1 : rot 37:sc= 0.58 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0343 USER MOD Single : A 86 SER OG : rot 180:sc= -0.341 USER MOD Single : A 91 GLN : amide:sc= -0.882 K(o=-0.88,f=-4.6!) 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 175:sc= -2.45! (180deg=-2.6!) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -1.82 K(o=-1.8,f=-0.87) USER MOD Single : A 107 SER OG : rot 180:sc= -0.0996 USER MOD ----------------------------------------------------------------- ATOM 525 N GLN A 35 6.657 -11.099 -1.608 1.00 0.00 N ATOM 526 CA GLN A 35 5.751 -9.916 -1.698 1.00 0.00 C ATOM 527 C GLN A 35 4.319 -10.318 -1.334 1.00 0.00 C ATOM 528 O GLN A 35 3.763 -11.243 -1.890 1.00 0.00 O ATOM 529 CB GLN A 35 5.826 -9.466 -3.158 1.00 0.00 C ATOM 530 CG GLN A 35 5.341 -8.020 -3.275 1.00 0.00 C ATOM 531 CD GLN A 35 5.215 -7.642 -4.751 1.00 0.00 C ATOM 532 OE1 GLN A 35 4.209 -7.103 -5.170 1.00 0.00 O ATOM 533 NE2 GLN A 35 6.203 -7.902 -5.565 1.00 0.00 N ATOM 0 HA GLN A 35 6.043 -9.121 -1.012 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.850 -9.547 -3.522 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.214 -10.117 -3.782 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.378 -7.907 -2.776 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.040 -7.349 -2.775 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.047 -8.354 -5.214 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.130 -7.653 -6.551 1.00 0.00 H new ATOM 542 N ARG A 36 3.723 -9.629 -0.397 1.00 0.00 N ATOM 543 CA ARG A 36 2.326 -9.970 0.010 1.00 0.00 C ATOM 544 C ARG A 36 1.453 -8.711 -0.014 1.00 0.00 C ATOM 545 O ARG A 36 1.887 -7.656 0.404 1.00 0.00 O ATOM 546 CB ARG A 36 2.457 -10.507 1.437 1.00 0.00 C ATOM 547 CG ARG A 36 1.147 -11.177 1.861 1.00 0.00 C ATOM 548 CD ARG A 36 1.067 -12.580 1.251 1.00 0.00 C ATOM 549 NE ARG A 36 0.659 -13.466 2.378 1.00 0.00 N ATOM 550 CZ ARG A 36 1.441 -14.438 2.761 1.00 0.00 C ATOM 551 NH1 ARG A 36 1.916 -15.279 1.885 1.00 0.00 N ATOM 552 NH2 ARG A 36 1.749 -14.567 4.023 1.00 0.00 N ATOM 0 H ARG A 36 4.142 -8.846 0.104 1.00 0.00 H new ATOM 0 HA ARG A 36 1.859 -10.694 -0.658 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.277 -11.223 1.492 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.698 -9.693 2.121 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.093 -11.238 2.948 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.298 -10.578 1.533 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.342 -12.616 0.438 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.027 -12.886 0.836 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.232 -13.312 2.850 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.676 -15.178 0.899 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.527 -16.038 2.186 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.379 -13.909 4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.360 -15.326 4.324 1.00 0.00 H new ATOM 566 N PRO A 37 0.245 -8.855 -0.501 1.00 0.00 N ATOM 567 CA PRO A 37 -0.682 -7.699 -0.569 1.00 0.00 C ATOM 568 C PRO A 37 -1.135 -7.304 0.839 1.00 0.00 C ATOM 569 O PRO A 37 -2.077 -7.854 1.377 1.00 0.00 O ATOM 570 CB PRO A 37 -1.853 -8.221 -1.398 1.00 0.00 C ATOM 571 CG PRO A 37 -1.815 -9.705 -1.222 1.00 0.00 C ATOM 572 CD PRO A 37 -0.369 -10.082 -1.028 1.00 0.00 C ATOM 0 HA PRO A 37 -0.230 -6.808 -1.005 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.799 -7.806 -1.051 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.749 -7.944 -2.447 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.412 -10.008 -0.362 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.233 -10.209 -2.094 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.262 -10.914 -0.332 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.093 -10.390 -1.966 1.00 0.00 H new ATOM 580 N PHE A 38 -0.469 -6.353 1.438 1.00 0.00 N ATOM 581 CA PHE A 38 -0.853 -5.919 2.811 1.00 0.00 C ATOM 582 C PHE A 38 -1.990 -4.898 2.742 1.00 0.00 C ATOM 583 O PHE A 38 -1.847 -3.832 2.173 1.00 0.00 O ATOM 584 CB PHE A 38 0.407 -5.278 3.390 1.00 0.00 C ATOM 585 CG PHE A 38 1.369 -6.361 3.818 1.00 0.00 C ATOM 586 CD1 PHE A 38 0.960 -7.339 4.733 1.00 0.00 C ATOM 587 CD2 PHE A 38 2.670 -6.389 3.299 1.00 0.00 C ATOM 588 CE1 PHE A 38 1.850 -8.345 5.128 1.00 0.00 C ATOM 589 CE2 PHE A 38 3.560 -7.396 3.695 1.00 0.00 C ATOM 590 CZ PHE A 38 3.149 -8.373 4.609 1.00 0.00 C ATOM 0 H PHE A 38 0.326 -5.858 1.034 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.207 -6.749 3.423 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.875 -4.633 2.646 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.150 -4.648 4.241 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.042 -7.317 5.134 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.987 -5.635 2.594 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.534 -9.099 5.833 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.563 -7.418 3.295 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.835 -9.149 4.914 1.00 0.00 H new ATOM 600 N ARG A 39 -3.121 -5.216 3.314 1.00 0.00 N ATOM 601 CA ARG A 39 -4.268 -4.264 3.280 1.00 0.00 C ATOM 602 C ARG A 39 -4.212 -3.322 4.485 1.00 0.00 C ATOM 603 O ARG A 39 -4.412 -3.730 5.614 1.00 0.00 O ATOM 604 CB ARG A 39 -5.516 -5.143 3.345 1.00 0.00 C ATOM 605 CG ARG A 39 -6.729 -4.339 2.870 1.00 0.00 C ATOM 606 CD ARG A 39 -7.932 -5.273 2.715 1.00 0.00 C ATOM 607 NE ARG A 39 -7.562 -6.193 1.607 1.00 0.00 N ATOM 608 CZ ARG A 39 -7.892 -7.454 1.668 1.00 0.00 C ATOM 609 NH1 ARG A 39 -9.126 -7.816 1.451 1.00 0.00 N ATOM 610 NH2 ARG A 39 -6.988 -8.354 1.947 1.00 0.00 N ATOM 0 H ARG A 39 -3.299 -6.093 3.803 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.257 -3.638 2.388 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.385 -6.027 2.721 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.675 -5.494 4.365 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.958 -3.549 3.586 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.507 -3.853 1.920 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.127 -5.822 3.636 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.838 -4.715 2.479 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.050 -5.838 0.799 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.833 -7.113 1.234 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.384 -8.802 1.499 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.023 -8.072 2.118 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.247 -9.339 1.994 1.00 0.00 H new ATOM 624 N VAL A 40 -3.942 -2.065 4.250 1.00 0.00 N ATOM 625 CA VAL A 40 -3.871 -1.087 5.373 1.00 0.00 C ATOM 626 C VAL A 40 -5.080 -0.146 5.323 1.00 0.00 C ATOM 627 O VAL A 40 -5.604 0.148 4.265 1.00 0.00 O ATOM 628 CB VAL A 40 -2.573 -0.314 5.135 1.00 0.00 C ATOM 629 CG1 VAL A 40 -2.415 0.783 6.192 1.00 0.00 C ATOM 630 CG2 VAL A 40 -1.388 -1.280 5.226 1.00 0.00 C ATOM 0 H VAL A 40 -3.767 -1.673 3.325 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.884 -1.568 6.351 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.604 0.144 4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.488 1.328 6.015 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.258 1.471 6.131 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.386 0.331 7.184 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.460 -0.734 5.057 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.366 -1.736 6.216 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.494 -2.058 4.470 1.00 0.00 H new ATOM 640 N CYS A 41 -5.528 0.327 6.456 1.00 0.00 N ATOM 641 CA CYS A 41 -6.704 1.245 6.469 1.00 0.00 C ATOM 642 C CYS A 41 -6.498 2.371 7.486 1.00 0.00 C ATOM 643 O CYS A 41 -5.697 2.263 8.394 1.00 0.00 O ATOM 644 CB CYS A 41 -7.894 0.367 6.871 1.00 0.00 C ATOM 645 SG CYS A 41 -7.599 -0.363 8.504 1.00 0.00 S ATOM 0 H CYS A 41 -5.131 0.117 7.372 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.858 1.722 5.501 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.807 0.963 6.889 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.042 -0.421 6.132 1.00 0.00 H new ATOM 0 HG CYS A 41 -6.667 0.306 9.116 1.00 0.00 H new ATOM 651 N ASP A 42 -7.221 3.449 7.338 1.00 0.00 N ATOM 652 CA ASP A 42 -7.080 4.588 8.292 1.00 0.00 C ATOM 653 C ASP A 42 -7.866 4.297 9.574 1.00 0.00 C ATOM 654 O ASP A 42 -8.508 3.274 9.694 1.00 0.00 O ATOM 655 CB ASP A 42 -7.661 5.797 7.564 1.00 0.00 C ATOM 656 CG ASP A 42 -6.943 7.063 8.034 1.00 0.00 C ATOM 657 OD1 ASP A 42 -6.885 7.278 9.233 1.00 0.00 O ATOM 658 OD2 ASP A 42 -6.460 7.797 7.185 1.00 0.00 O ATOM 0 H ASP A 42 -7.905 3.590 6.595 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.044 4.757 8.585 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.545 5.678 6.487 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.730 5.876 7.762 1.00 0.00 H new ATOM 663 N HIS A 43 -7.796 5.183 10.540 1.00 0.00 N ATOM 664 CA HIS A 43 -8.516 4.967 11.837 1.00 0.00 C ATOM 665 C HIS A 43 -9.861 4.245 11.633 1.00 0.00 C ATOM 666 O HIS A 43 -9.931 3.036 11.726 1.00 0.00 O ATOM 667 CB HIS A 43 -8.730 6.377 12.399 1.00 0.00 C ATOM 668 CG HIS A 43 -9.407 6.293 13.739 1.00 0.00 C ATOM 669 ND1 HIS A 43 -8.757 5.816 14.868 1.00 0.00 N ATOM 670 CD2 HIS A 43 -10.674 6.623 14.149 1.00 0.00 C ATOM 671 CE1 HIS A 43 -9.627 5.874 15.891 1.00 0.00 C ATOM 672 NE2 HIS A 43 -10.811 6.358 15.508 1.00 0.00 N ATOM 0 H HIS A 43 -7.267 6.053 10.485 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.946 4.330 12.513 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.773 6.889 12.496 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.337 6.965 11.711 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.448 7.027 13.513 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.396 5.566 16.900 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -11.638 6.502 16.087 1.00 0.00 H new ATOM 680 N LYS A 44 -10.929 4.958 11.361 1.00 0.00 N ATOM 681 CA LYS A 44 -12.239 4.266 11.167 1.00 0.00 C ATOM 682 C LYS A 44 -12.480 3.943 9.686 1.00 0.00 C ATOM 683 O LYS A 44 -12.459 2.797 9.283 1.00 0.00 O ATOM 684 CB LYS A 44 -13.286 5.259 11.677 1.00 0.00 C ATOM 685 CG LYS A 44 -14.679 4.634 11.572 1.00 0.00 C ATOM 686 CD LYS A 44 -14.852 3.585 12.674 1.00 0.00 C ATOM 687 CE LYS A 44 -16.226 2.922 12.539 1.00 0.00 C ATOM 688 NZ LYS A 44 -15.963 1.461 12.676 1.00 0.00 N ATOM 0 H LYS A 44 -10.949 5.973 11.266 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.277 3.314 11.697 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.074 5.528 12.712 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.244 6.179 11.094 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.443 5.405 11.666 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.810 4.173 10.593 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.066 2.834 12.602 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.757 4.053 13.654 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.912 3.274 13.310 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.683 3.153 11.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.858 0.938 12.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.313 1.153 11.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.534 1.271 13.604 1.00 0.00 H new ATOM 702 N ARG A 45 -12.709 4.944 8.874 1.00 0.00 N ATOM 703 CA ARG A 45 -12.953 4.688 7.423 1.00 0.00 C ATOM 704 C ARG A 45 -12.561 5.905 6.572 1.00 0.00 C ATOM 705 O ARG A 45 -12.923 5.998 5.416 1.00 0.00 O ATOM 706 CB ARG A 45 -14.456 4.425 7.316 1.00 0.00 C ATOM 707 CG ARG A 45 -14.726 3.470 6.151 1.00 0.00 C ATOM 708 CD ARG A 45 -16.098 2.815 6.335 1.00 0.00 C ATOM 709 NE ARG A 45 -16.721 2.844 4.981 1.00 0.00 N ATOM 710 CZ ARG A 45 -17.872 3.431 4.805 1.00 0.00 C ATOM 711 NH1 ARG A 45 -18.980 2.767 4.991 1.00 0.00 N ATOM 712 NH2 ARG A 45 -17.916 4.684 4.443 1.00 0.00 N ATOM 0 H ARG A 45 -12.737 5.925 9.153 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.358 3.852 7.056 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.828 3.995 8.246 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.990 5.363 7.163 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.694 4.013 5.207 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -13.950 2.706 6.106 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.002 1.794 6.704 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.702 3.360 7.060 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.247 2.405 4.192 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.946 1.788 5.274 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -19.880 3.227 4.853 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -17.050 5.204 4.298 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -18.816 5.144 4.305 1.00 0.00 H new ATOM 726 N THR A 46 -11.845 6.846 7.132 1.00 0.00 N ATOM 727 CA THR A 46 -11.457 8.055 6.343 1.00 0.00 C ATOM 728 C THR A 46 -10.766 7.655 5.035 1.00 0.00 C ATOM 729 O THR A 46 -11.168 8.065 3.963 1.00 0.00 O ATOM 730 CB THR A 46 -10.499 8.836 7.245 1.00 0.00 C ATOM 731 OG1 THR A 46 -9.440 7.983 7.656 1.00 0.00 O ATOM 732 CG2 THR A 46 -11.255 9.349 8.473 1.00 0.00 C ATOM 0 H THR A 46 -11.513 6.831 8.096 1.00 0.00 H new ATOM 0 HA THR A 46 -12.326 8.650 6.063 1.00 0.00 H new ATOM 0 HB THR A 46 -10.090 9.684 6.696 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.435 7.916 8.634 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.572 9.905 9.115 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.066 10.003 8.154 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.666 8.505 9.026 1.00 0.00 H new ATOM 740 N ILE A 47 -9.730 6.862 5.110 1.00 0.00 N ATOM 741 CA ILE A 47 -9.020 6.444 3.866 1.00 0.00 C ATOM 742 C ILE A 47 -8.669 4.954 3.928 1.00 0.00 C ATOM 743 O ILE A 47 -8.539 4.380 4.991 1.00 0.00 O ATOM 744 CB ILE A 47 -7.747 7.293 3.825 1.00 0.00 C ATOM 745 CG1 ILE A 47 -8.120 8.779 3.819 1.00 0.00 C ATOM 746 CG2 ILE A 47 -6.956 6.965 2.556 1.00 0.00 C ATOM 747 CD1 ILE A 47 -6.851 9.630 3.893 1.00 0.00 C ATOM 0 H ILE A 47 -9.346 6.486 5.977 1.00 0.00 H new ATOM 0 HA ILE A 47 -9.634 6.589 2.977 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.139 7.074 4.703 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.679 9.020 2.915 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.770 9.004 4.665 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.049 7.569 2.526 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.688 5.908 2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.567 7.183 1.680 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.120 10.686 3.888 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.310 9.397 4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.217 9.414 3.033 1.00 0.00 H new ATOM 759 N ARG A 48 -8.514 4.324 2.792 1.00 0.00 N ATOM 760 CA ARG A 48 -8.168 2.872 2.777 1.00 0.00 C ATOM 761 C ARG A 48 -7.147 2.584 1.673 1.00 0.00 C ATOM 762 O ARG A 48 -7.330 2.961 0.532 1.00 0.00 O ATOM 763 CB ARG A 48 -9.489 2.156 2.487 1.00 0.00 C ATOM 764 CG ARG A 48 -9.292 0.646 2.626 1.00 0.00 C ATOM 765 CD ARG A 48 -10.588 -0.077 2.253 1.00 0.00 C ATOM 766 NE ARG A 48 -10.350 -1.503 2.607 1.00 0.00 N ATOM 767 CZ ARG A 48 -11.359 -2.297 2.837 1.00 0.00 C ATOM 768 NH1 ARG A 48 -12.237 -1.987 3.753 1.00 0.00 N ATOM 769 NH2 ARG A 48 -11.491 -3.403 2.156 1.00 0.00 N ATOM 0 H ARG A 48 -8.612 4.754 1.872 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.722 2.542 3.715 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.260 2.498 3.178 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.833 2.398 1.481 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.480 0.314 1.980 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.007 0.399 3.649 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.438 0.329 2.801 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -10.811 0.034 1.192 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.397 -1.860 2.670 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.133 -1.125 4.288 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.026 -2.607 3.934 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.804 -3.648 1.443 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.281 -4.022 2.337 1.00 0.00 H new ATOM 783 N LYS A 49 -6.072 1.918 2.005 1.00 0.00 N ATOM 784 CA LYS A 49 -5.038 1.607 0.975 1.00 0.00 C ATOM 785 C LYS A 49 -4.629 0.132 1.058 1.00 0.00 C ATOM 786 O LYS A 49 -4.407 -0.401 2.129 1.00 0.00 O ATOM 787 CB LYS A 49 -3.854 2.515 1.317 1.00 0.00 C ATOM 788 CG LYS A 49 -2.720 2.280 0.316 1.00 0.00 C ATOM 789 CD LYS A 49 -3.124 2.824 -1.058 1.00 0.00 C ATOM 790 CE LYS A 49 -2.262 4.041 -1.404 1.00 0.00 C ATOM 791 NZ LYS A 49 -3.065 5.216 -0.966 1.00 0.00 N ATOM 0 H LYS A 49 -5.866 1.577 2.944 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.402 1.775 -0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.165 3.560 1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.507 2.311 2.330 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.810 2.772 0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.499 1.215 0.246 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.001 2.051 -1.817 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.178 3.102 -1.054 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.302 4.004 -0.889 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.049 4.084 -2.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.540 6.091 -1.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.970 5.228 -1.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.246 5.151 0.056 1.00 0.00 H new ATOM 805 N GLY A 50 -4.527 -0.527 -0.064 1.00 0.00 N ATOM 806 CA GLY A 50 -4.131 -1.966 -0.057 1.00 0.00 C ATOM 807 C GLY A 50 -3.166 -2.230 -1.215 1.00 0.00 C ATOM 808 O GLY A 50 -3.574 -2.443 -2.339 1.00 0.00 O ATOM 0 H GLY A 50 -4.701 -0.131 -0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.658 -2.220 0.891 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.014 -2.599 -0.152 1.00 0.00 H new ATOM 812 N LEU A 51 -1.886 -2.215 -0.946 1.00 0.00 N ATOM 813 CA LEU A 51 -0.890 -2.459 -2.031 1.00 0.00 C ATOM 814 C LEU A 51 0.109 -3.537 -1.603 1.00 0.00 C ATOM 815 O LEU A 51 0.205 -3.880 -0.440 1.00 0.00 O ATOM 816 CB LEU A 51 -0.182 -1.119 -2.227 1.00 0.00 C ATOM 817 CG LEU A 51 -1.190 -0.072 -2.704 1.00 0.00 C ATOM 818 CD1 LEU A 51 -0.634 1.329 -2.441 1.00 0.00 C ATOM 819 CD2 LEU A 51 -1.434 -0.247 -4.205 1.00 0.00 C ATOM 0 H LEU A 51 -1.488 -2.044 -0.022 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.360 -2.811 -2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.276 -0.798 -1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.622 -1.224 -2.956 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.128 -0.199 -2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.352 2.075 -2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.457 1.456 -1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.304 1.456 -2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.152 0.499 -4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.495 -0.119 -4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.829 -1.245 -4.396 1.00 0.00 H new ATOM 831 N THR A 52 0.853 -4.075 -2.534 1.00 0.00 N ATOM 832 CA THR A 52 1.848 -5.132 -2.181 1.00 0.00 C ATOM 833 C THR A 52 3.114 -4.497 -1.602 1.00 0.00 C ATOM 834 O THR A 52 3.680 -3.586 -2.177 1.00 0.00 O ATOM 835 CB THR A 52 2.161 -5.839 -3.502 1.00 0.00 C ATOM 836 OG1 THR A 52 2.506 -4.870 -4.483 1.00 0.00 O ATOM 837 CG2 THR A 52 0.933 -6.625 -3.967 1.00 0.00 C ATOM 0 H THR A 52 0.815 -3.829 -3.523 1.00 0.00 H new ATOM 0 HA THR A 52 1.466 -5.822 -1.428 1.00 0.00 H new ATOM 0 HB THR A 52 2.995 -6.526 -3.359 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.183 -5.242 -5.086 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.158 -7.128 -4.908 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.669 -7.367 -3.213 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.097 -5.941 -4.112 1.00 0.00 H new ATOM 845 N ALA A 53 3.560 -4.968 -0.468 1.00 0.00 N ATOM 846 CA ALA A 53 4.789 -4.391 0.149 1.00 0.00 C ATOM 847 C ALA A 53 5.649 -5.501 0.759 1.00 0.00 C ATOM 848 O ALA A 53 5.143 -6.458 1.312 1.00 0.00 O ATOM 849 CB ALA A 53 4.282 -3.448 1.239 1.00 0.00 C ATOM 0 H ALA A 53 3.126 -5.727 0.057 1.00 0.00 H new ATOM 0 HA ALA A 53 5.411 -3.873 -0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.130 -2.983 1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.658 -2.675 0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.696 -4.012 1.964 1.00 0.00 H new ATOM 855 N ALA A 54 6.946 -5.375 0.671 1.00 0.00 N ATOM 856 CA ALA A 54 7.842 -6.416 1.251 1.00 0.00 C ATOM 857 C ALA A 54 8.928 -5.754 2.105 1.00 0.00 C ATOM 858 O ALA A 54 9.915 -5.258 1.595 1.00 0.00 O ATOM 859 CB ALA A 54 8.463 -7.123 0.044 1.00 0.00 C ATOM 0 H ALA A 54 7.424 -4.594 0.221 1.00 0.00 H new ATOM 0 HA ALA A 54 7.307 -7.112 1.897 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.138 -7.906 0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.674 -7.566 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.020 -6.401 -0.554 1.00 0.00 H new ATOM 865 N THR A 55 8.750 -5.738 3.400 1.00 0.00 N ATOM 866 CA THR A 55 9.768 -5.105 4.289 1.00 0.00 C ATOM 867 C THR A 55 9.667 -5.682 5.704 1.00 0.00 C ATOM 868 O THR A 55 8.587 -5.921 6.210 1.00 0.00 O ATOM 869 CB THR A 55 9.424 -3.615 4.289 1.00 0.00 C ATOM 870 OG1 THR A 55 9.111 -3.200 2.966 1.00 0.00 O ATOM 871 CG2 THR A 55 10.617 -2.815 4.806 1.00 0.00 C ATOM 0 H THR A 55 7.943 -6.136 3.880 1.00 0.00 H new ATOM 0 HA THR A 55 10.786 -5.287 3.945 1.00 0.00 H new ATOM 0 HB THR A 55 8.564 -3.442 4.936 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.683 -3.678 2.329 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.371 -1.753 4.806 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.855 -3.132 5.821 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.478 -2.988 4.161 1.00 0.00 H new ATOM 879 N ARG A 56 10.783 -5.915 6.343 1.00 0.00 N ATOM 880 CA ARG A 56 10.752 -6.484 7.723 1.00 0.00 C ATOM 881 C ARG A 56 10.718 -5.368 8.776 1.00 0.00 C ATOM 882 O ARG A 56 9.710 -5.138 9.415 1.00 0.00 O ATOM 883 CB ARG A 56 12.041 -7.301 7.840 1.00 0.00 C ATOM 884 CG ARG A 56 12.119 -7.944 9.227 1.00 0.00 C ATOM 885 CD ARG A 56 13.482 -8.617 9.407 1.00 0.00 C ATOM 886 NE ARG A 56 13.173 -10.018 9.805 1.00 0.00 N ATOM 887 CZ ARG A 56 12.759 -10.279 11.015 1.00 0.00 C ATOM 888 NH1 ARG A 56 13.371 -9.754 12.041 1.00 0.00 N ATOM 889 NH2 ARG A 56 11.734 -11.064 11.201 1.00 0.00 N ATOM 0 H ARG A 56 11.715 -5.736 5.969 1.00 0.00 H new ATOM 0 HA ARG A 56 9.863 -7.091 7.894 1.00 0.00 H new ATOM 0 HB2 ARG A 56 12.066 -8.071 7.069 1.00 0.00 H new ATOM 0 HB3 ARG A 56 12.906 -6.659 7.677 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.971 -7.188 9.998 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.322 -8.678 9.344 1.00 0.00 H new ATOM 0 HD2 ARG A 56 14.061 -8.588 8.484 1.00 0.00 H new ATOM 0 HD3 ARG A 56 14.074 -8.112 10.170 1.00 0.00 H new ATOM 0 HE ARG A 56 13.285 -10.775 9.131 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.173 -9.140 11.897 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.048 -9.958 12.987 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.255 -11.475 10.400 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.412 -11.267 12.147 1.00 0.00 H new ATOM 903 N GLN A 57 11.816 -4.686 8.974 1.00 0.00 N ATOM 904 CA GLN A 57 11.851 -3.599 9.998 1.00 0.00 C ATOM 905 C GLN A 57 11.458 -2.252 9.386 1.00 0.00 C ATOM 906 O GLN A 57 10.655 -1.524 9.936 1.00 0.00 O ATOM 907 CB GLN A 57 13.303 -3.563 10.477 1.00 0.00 C ATOM 908 CG GLN A 57 13.397 -2.742 11.765 1.00 0.00 C ATOM 909 CD GLN A 57 14.851 -2.702 12.239 1.00 0.00 C ATOM 910 OE1 GLN A 57 15.546 -3.699 12.192 1.00 0.00 O ATOM 911 NE2 GLN A 57 15.344 -1.585 12.699 1.00 0.00 N ATOM 0 H GLN A 57 12.691 -4.835 8.471 1.00 0.00 H new ATOM 0 HA GLN A 57 11.147 -3.784 10.810 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.664 -4.576 10.652 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.940 -3.126 9.708 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.032 -1.730 11.591 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.764 -3.181 12.536 1.00 0.00 H new ATOM 0 HE21 GLN A 57 14.762 -0.749 12.739 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.312 -1.548 13.019 1.00 0.00 H new ATOM 920 N GLU A 58 12.021 -1.911 8.259 1.00 0.00 N ATOM 921 CA GLU A 58 11.684 -0.602 7.619 1.00 0.00 C ATOM 922 C GLU A 58 10.192 -0.536 7.261 1.00 0.00 C ATOM 923 O GLU A 58 9.664 0.521 6.973 1.00 0.00 O ATOM 924 CB GLU A 58 12.552 -0.539 6.360 1.00 0.00 C ATOM 925 CG GLU A 58 12.277 0.766 5.609 1.00 0.00 C ATOM 926 CD GLU A 58 13.152 0.828 4.357 1.00 0.00 C ATOM 927 OE1 GLU A 58 14.310 0.449 4.448 1.00 0.00 O ATOM 928 OE2 GLU A 58 12.654 1.253 3.329 1.00 0.00 O ATOM 0 H GLU A 58 12.699 -2.480 7.752 1.00 0.00 H new ATOM 0 HA GLU A 58 11.874 0.239 8.286 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.606 -0.599 6.630 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.339 -1.392 5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.224 0.824 5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.485 1.620 6.254 1.00 0.00 H new ATOM 935 N LEU A 59 9.505 -1.652 7.277 1.00 0.00 N ATOM 936 CA LEU A 59 8.049 -1.645 6.939 1.00 0.00 C ATOM 937 C LEU A 59 7.306 -0.601 7.783 1.00 0.00 C ATOM 938 O LEU A 59 6.313 -0.038 7.360 1.00 0.00 O ATOM 939 CB LEU A 59 7.558 -3.053 7.279 1.00 0.00 C ATOM 940 CG LEU A 59 6.146 -3.254 6.720 1.00 0.00 C ATOM 941 CD1 LEU A 59 6.105 -4.524 5.870 1.00 0.00 C ATOM 942 CD2 LEU A 59 5.152 -3.383 7.876 1.00 0.00 C ATOM 0 H LEU A 59 9.890 -2.567 7.510 1.00 0.00 H new ATOM 0 HA LEU A 59 7.872 -1.389 5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.235 -3.797 6.859 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.556 -3.197 8.359 1.00 0.00 H new ATOM 0 HG LEU A 59 5.878 -2.397 6.103 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.099 -4.664 5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.811 -4.432 5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.376 -5.382 6.485 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.147 -3.526 7.478 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.422 -4.239 8.495 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.177 -2.476 8.480 1.00 0.00 H new ATOM 954 N LEU A 60 7.779 -0.343 8.973 1.00 0.00 N ATOM 955 CA LEU A 60 7.102 0.664 9.850 1.00 0.00 C ATOM 956 C LEU A 60 6.965 1.999 9.108 1.00 0.00 C ATOM 957 O LEU A 60 5.883 2.538 8.976 1.00 0.00 O ATOM 958 CB LEU A 60 8.026 0.811 11.065 1.00 0.00 C ATOM 959 CG LEU A 60 7.254 1.391 12.257 1.00 0.00 C ATOM 960 CD1 LEU A 60 6.730 2.787 11.909 1.00 0.00 C ATOM 961 CD2 LEU A 60 6.077 0.477 12.605 1.00 0.00 C ATOM 0 H LEU A 60 8.604 -0.784 9.378 1.00 0.00 H new ATOM 0 HA LEU A 60 6.097 0.358 10.139 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.444 -0.160 11.332 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.865 1.461 10.816 1.00 0.00 H new ATOM 0 HG LEU A 60 7.924 1.461 13.114 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.183 3.193 12.760 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.569 3.442 11.671 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.065 2.722 11.048 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.532 0.893 13.452 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.410 0.400 11.746 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.450 -0.514 12.865 1.00 0.00 H new ATOM 973 N ALA A 61 8.053 2.535 8.625 1.00 0.00 N ATOM 974 CA ALA A 61 7.992 3.835 7.889 1.00 0.00 C ATOM 975 C ALA A 61 6.997 3.750 6.727 1.00 0.00 C ATOM 976 O ALA A 61 6.478 4.750 6.270 1.00 0.00 O ATOM 977 CB ALA A 61 9.409 4.059 7.361 1.00 0.00 C ATOM 0 H ALA A 61 8.985 2.129 8.708 1.00 0.00 H new ATOM 0 HA ALA A 61 7.658 4.651 8.530 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.447 4.997 6.807 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.106 4.103 8.198 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.686 3.237 6.701 1.00 0.00 H new ATOM 983 N LYS A 62 6.731 2.566 6.244 1.00 0.00 N ATOM 984 CA LYS A 62 5.773 2.418 5.106 1.00 0.00 C ATOM 985 C LYS A 62 4.371 2.864 5.527 1.00 0.00 C ATOM 986 O LYS A 62 3.578 3.292 4.711 1.00 0.00 O ATOM 987 CB LYS A 62 5.779 0.928 4.767 1.00 0.00 C ATOM 988 CG LYS A 62 5.200 0.721 3.364 1.00 0.00 C ATOM 989 CD LYS A 62 3.702 0.422 3.467 1.00 0.00 C ATOM 990 CE LYS A 62 3.193 -0.106 2.124 1.00 0.00 C ATOM 991 NZ LYS A 62 2.790 1.108 1.361 1.00 0.00 N ATOM 0 H LYS A 62 7.135 1.694 6.587 1.00 0.00 H new ATOM 0 HA LYS A 62 6.058 3.031 4.251 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.796 0.538 4.814 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.191 0.375 5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.363 1.612 2.757 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.712 -0.102 2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.520 -0.313 4.251 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.158 1.325 3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.969 -0.663 1.599 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.351 -0.784 2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.429 0.827 0.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.045 1.614 1.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.613 1.732 1.241 1.00 0.00 H new ATOM 1005 N ALA A 63 4.054 2.762 6.789 1.00 0.00 N ATOM 1006 CA ALA A 63 2.697 3.173 7.258 1.00 0.00 C ATOM 1007 C ALA A 63 2.650 4.683 7.520 1.00 0.00 C ATOM 1008 O ALA A 63 1.638 5.324 7.320 1.00 0.00 O ATOM 1009 CB ALA A 63 2.478 2.400 8.558 1.00 0.00 C ATOM 0 H ALA A 63 4.676 2.412 7.518 1.00 0.00 H new ATOM 0 HA ALA A 63 1.927 2.959 6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.499 2.648 8.968 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.527 1.330 8.358 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.251 2.671 9.277 1.00 0.00 H new ATOM 1015 N LEU A 64 3.733 5.250 7.975 1.00 0.00 N ATOM 1016 CA LEU A 64 3.751 6.718 8.259 1.00 0.00 C ATOM 1017 C LEU A 64 3.865 7.529 6.960 1.00 0.00 C ATOM 1018 O LEU A 64 2.932 8.182 6.537 1.00 0.00 O ATOM 1019 CB LEU A 64 4.988 6.944 9.134 1.00 0.00 C ATOM 1020 CG LEU A 64 4.684 6.576 10.593 1.00 0.00 C ATOM 1021 CD1 LEU A 64 3.519 7.423 11.111 1.00 0.00 C ATOM 1022 CD2 LEU A 64 4.318 5.093 10.688 1.00 0.00 C ATOM 0 H LEU A 64 4.609 4.762 8.164 1.00 0.00 H new ATOM 0 HA LEU A 64 2.833 7.041 8.750 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.818 6.341 8.765 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.300 7.987 9.072 1.00 0.00 H new ATOM 0 HG LEU A 64 5.569 6.770 11.199 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.308 7.157 12.147 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.783 8.479 11.054 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.635 7.237 10.501 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.103 4.837 11.726 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.438 4.895 10.076 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.152 4.489 10.330 1.00 0.00 H new ATOM 1034 N GLU A 65 5.018 7.506 6.344 1.00 0.00 N ATOM 1035 CA GLU A 65 5.236 8.290 5.087 1.00 0.00 C ATOM 1036 C GLU A 65 4.100 8.089 4.073 1.00 0.00 C ATOM 1037 O GLU A 65 3.677 9.026 3.424 1.00 0.00 O ATOM 1038 CB GLU A 65 6.553 7.758 4.518 1.00 0.00 C ATOM 1039 CG GLU A 65 7.105 8.748 3.489 1.00 0.00 C ATOM 1040 CD GLU A 65 6.366 8.568 2.162 1.00 0.00 C ATOM 1041 OE1 GLU A 65 6.227 7.435 1.732 1.00 0.00 O ATOM 1042 OE2 GLU A 65 5.952 9.567 1.597 1.00 0.00 O ATOM 0 H GLU A 65 5.828 6.972 6.660 1.00 0.00 H new ATOM 0 HA GLU A 65 5.262 9.360 5.293 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.275 7.612 5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.393 6.785 4.053 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.984 9.769 3.850 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.173 8.585 3.348 1.00 0.00 H new ATOM 1049 N THR A 66 3.612 6.886 3.917 1.00 0.00 N ATOM 1050 CA THR A 66 2.515 6.652 2.925 1.00 0.00 C ATOM 1051 C THR A 66 1.367 7.648 3.140 1.00 0.00 C ATOM 1052 O THR A 66 0.868 8.236 2.200 1.00 0.00 O ATOM 1053 CB THR A 66 2.041 5.214 3.167 1.00 0.00 C ATOM 1054 OG1 THR A 66 0.992 4.905 2.261 1.00 0.00 O ATOM 1055 CG2 THR A 66 1.537 5.069 4.600 1.00 0.00 C ATOM 0 H THR A 66 3.921 6.059 4.428 1.00 0.00 H new ATOM 0 HA THR A 66 2.861 6.793 1.901 1.00 0.00 H new ATOM 0 HB THR A 66 2.874 4.529 3.010 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.689 3.986 2.413 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.202 4.045 4.766 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.343 5.304 5.295 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.705 5.754 4.764 1.00 0.00 H new ATOM 1063 N LEU A 67 0.950 7.850 4.364 1.00 0.00 N ATOM 1064 CA LEU A 67 -0.157 8.817 4.618 1.00 0.00 C ATOM 1065 C LEU A 67 0.409 10.143 5.133 1.00 0.00 C ATOM 1066 O LEU A 67 0.112 11.201 4.613 1.00 0.00 O ATOM 1067 CB LEU A 67 -1.025 8.150 5.686 1.00 0.00 C ATOM 1068 CG LEU A 67 -1.861 7.040 5.047 1.00 0.00 C ATOM 1069 CD1 LEU A 67 -2.156 5.959 6.086 1.00 0.00 C ATOM 1070 CD2 LEU A 67 -3.176 7.626 4.532 1.00 0.00 C ATOM 0 H LEU A 67 1.326 7.390 5.193 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.725 9.045 3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.396 7.737 6.475 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.678 8.888 6.152 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.308 6.602 4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.752 5.169 5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.218 5.541 6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.709 6.395 6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.773 6.836 4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.729 8.065 5.363 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.965 8.396 3.789 1.00 0.00 H new ATOM 1082 N LEU A 68 1.228 10.091 6.150 1.00 0.00 N ATOM 1083 CA LEU A 68 1.820 11.345 6.700 1.00 0.00 C ATOM 1084 C LEU A 68 3.232 11.082 7.230 1.00 0.00 C ATOM 1085 O LEU A 68 3.461 10.144 7.970 1.00 0.00 O ATOM 1086 CB LEU A 68 0.888 11.760 7.840 1.00 0.00 C ATOM 1087 CG LEU A 68 -0.339 12.468 7.262 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -1.309 12.812 8.394 1.00 0.00 C ATOM 1089 CD2 LEU A 68 0.098 13.755 6.558 1.00 0.00 C ATOM 0 H LEU A 68 1.513 9.234 6.624 1.00 0.00 H new ATOM 0 HA LEU A 68 1.908 12.123 5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.581 10.883 8.410 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.412 12.422 8.530 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.833 11.811 6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.183 13.316 7.983 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.621 11.896 8.897 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.815 13.468 9.110 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.776 14.259 6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.592 14.412 7.274 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.790 13.512 5.752 1.00 0.00 H new ATOM 1101 N LEU A 69 4.178 11.905 6.865 1.00 0.00 N ATOM 1102 CA LEU A 69 5.571 11.704 7.356 1.00 0.00 C ATOM 1103 C LEU A 69 5.735 12.362 8.730 1.00 0.00 C ATOM 1104 O LEU A 69 5.588 13.559 8.877 1.00 0.00 O ATOM 1105 CB LEU A 69 6.471 12.375 6.314 1.00 0.00 C ATOM 1106 CG LEU A 69 6.194 13.882 6.268 1.00 0.00 C ATOM 1107 CD1 LEU A 69 7.290 14.624 7.038 1.00 0.00 C ATOM 1108 CD2 LEU A 69 6.182 14.356 4.812 1.00 0.00 C ATOM 0 H LEU A 69 4.046 12.707 6.249 1.00 0.00 H new ATOM 0 HA LEU A 69 5.823 10.650 7.475 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.518 12.198 6.559 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.294 11.935 5.333 1.00 0.00 H new ATOM 0 HG LEU A 69 5.225 14.088 6.724 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.095 15.696 7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.298 14.287 8.075 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.258 14.418 6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.985 15.428 4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.150 14.151 4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.402 13.827 4.264 1.00 0.00 H new ATOM 1120 N ASN A 70 6.030 11.588 9.741 1.00 0.00 N ATOM 1121 CA ASN A 70 6.195 12.171 11.103 1.00 0.00 C ATOM 1122 C ASN A 70 7.368 11.501 11.824 1.00 0.00 C ATOM 1123 O ASN A 70 7.677 10.350 11.589 1.00 0.00 O ATOM 1124 CB ASN A 70 4.879 11.871 11.821 1.00 0.00 C ATOM 1125 CG ASN A 70 4.651 12.906 12.926 1.00 0.00 C ATOM 1126 OD1 ASN A 70 4.446 12.555 14.071 1.00 0.00 O ATOM 1127 ND2 ASN A 70 4.676 14.176 12.628 1.00 0.00 N ATOM 0 H ASN A 70 6.164 10.579 9.682 1.00 0.00 H new ATOM 0 HA ASN A 70 6.409 13.239 11.075 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.052 11.893 11.111 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.906 10.868 12.248 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.523 14.874 13.356 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.848 14.471 11.667 1.00 0.00 H new ATOM 1134 N GLY A 71 8.026 12.216 12.697 1.00 0.00 N ATOM 1135 CA GLY A 71 9.181 11.624 13.431 1.00 0.00 C ATOM 1136 C GLY A 71 8.670 10.772 14.595 1.00 0.00 C ATOM 1137 O GLY A 71 9.242 9.750 14.923 1.00 0.00 O ATOM 0 H GLY A 71 7.813 13.185 12.933 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.779 11.013 12.755 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.831 12.415 13.805 1.00 0.00 H new ATOM 1141 N VAL A 72 7.600 11.184 15.222 1.00 0.00 N ATOM 1142 CA VAL A 72 7.055 10.397 16.368 1.00 0.00 C ATOM 1143 C VAL A 72 5.533 10.270 16.251 1.00 0.00 C ATOM 1144 O VAL A 72 4.825 11.251 16.128 1.00 0.00 O ATOM 1145 CB VAL A 72 7.432 11.193 17.619 1.00 0.00 C ATOM 1146 CG1 VAL A 72 7.009 10.412 18.865 1.00 0.00 C ATOM 1147 CG2 VAL A 72 8.948 11.411 17.650 1.00 0.00 C ATOM 0 H VAL A 72 7.080 12.030 14.991 1.00 0.00 H new ATOM 0 HA VAL A 72 7.456 9.384 16.395 1.00 0.00 H new ATOM 0 HB VAL A 72 6.925 12.158 17.601 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.277 10.978 19.757 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.931 10.253 18.846 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.518 9.448 18.880 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.216 11.978 18.541 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.454 10.446 17.668 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.254 11.964 16.762 1.00 0.00 H new ATOM 1157 N LEU A 73 5.026 9.066 16.291 1.00 0.00 N ATOM 1158 CA LEU A 73 3.550 8.867 16.182 1.00 0.00 C ATOM 1159 C LEU A 73 3.120 7.684 17.057 1.00 0.00 C ATOM 1160 O LEU A 73 3.819 6.696 17.165 1.00 0.00 O ATOM 1161 CB LEU A 73 3.305 8.567 14.698 1.00 0.00 C ATOM 1162 CG LEU A 73 1.827 8.780 14.338 1.00 0.00 C ATOM 1163 CD1 LEU A 73 0.966 7.717 15.025 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.372 10.174 14.784 1.00 0.00 C ATOM 0 H LEU A 73 5.571 8.210 16.395 1.00 0.00 H new ATOM 0 HA LEU A 73 2.981 9.733 16.518 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.931 9.213 14.083 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.594 7.539 14.477 1.00 0.00 H new ATOM 0 HG LEU A 73 1.713 8.695 13.257 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.081 7.874 14.766 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.278 6.726 14.694 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.087 7.793 16.106 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.323 10.315 14.524 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.494 10.269 15.863 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.975 10.931 14.283 1.00 0.00 H new ATOM 1176 N THR A 74 1.975 7.777 17.681 1.00 0.00 N ATOM 1177 CA THR A 74 1.506 6.659 18.548 1.00 0.00 C ATOM 1178 C THR A 74 0.808 5.586 17.705 1.00 0.00 C ATOM 1179 O THR A 74 -0.154 5.857 17.012 1.00 0.00 O ATOM 1180 CB THR A 74 0.520 7.303 19.525 1.00 0.00 C ATOM 1181 OG1 THR A 74 -0.519 7.943 18.798 1.00 0.00 O ATOM 1182 CG2 THR A 74 1.254 8.334 20.384 1.00 0.00 C ATOM 0 H THR A 74 1.346 8.578 17.627 1.00 0.00 H new ATOM 0 HA THR A 74 2.329 6.165 19.065 1.00 0.00 H new ATOM 0 HB THR A 74 0.091 6.534 20.168 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.740 7.411 18.005 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.552 8.793 21.080 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.050 7.842 20.943 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.684 9.103 19.742 1.00 0.00 H new ATOM 1190 N LEU A 75 1.288 4.370 17.764 1.00 0.00 N ATOM 1191 CA LEU A 75 0.656 3.275 16.973 1.00 0.00 C ATOM 1192 C LEU A 75 -0.326 2.496 17.849 1.00 0.00 C ATOM 1193 O LEU A 75 -0.031 2.165 18.981 1.00 0.00 O ATOM 1194 CB LEU A 75 1.815 2.368 16.549 1.00 0.00 C ATOM 1195 CG LEU A 75 2.722 3.104 15.560 1.00 0.00 C ATOM 1196 CD1 LEU A 75 4.067 3.408 16.226 1.00 0.00 C ATOM 1197 CD2 LEU A 75 2.956 2.222 14.329 1.00 0.00 C ATOM 0 H LEU A 75 2.091 4.089 18.327 1.00 0.00 H new ATOM 0 HA LEU A 75 0.098 3.655 16.117 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.389 2.064 17.425 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.427 1.458 16.091 1.00 0.00 H new ATOM 0 HG LEU A 75 2.245 4.037 15.258 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.712 3.932 15.521 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.905 4.034 17.104 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.543 2.475 16.528 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.602 2.745 13.624 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.432 1.290 14.634 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.001 2.002 13.852 1.00 0.00 H new ATOM 1209 N VAL A 76 -1.489 2.199 17.339 1.00 0.00 N ATOM 1210 CA VAL A 76 -2.485 1.436 18.150 1.00 0.00 C ATOM 1211 C VAL A 76 -3.295 0.498 17.252 1.00 0.00 C ATOM 1212 O VAL A 76 -3.252 0.589 16.042 1.00 0.00 O ATOM 1213 CB VAL A 76 -3.388 2.498 18.780 1.00 0.00 C ATOM 1214 CG1 VAL A 76 -2.560 3.386 19.710 1.00 0.00 C ATOM 1215 CG2 VAL A 76 -4.017 3.360 17.680 1.00 0.00 C ATOM 0 H VAL A 76 -1.794 2.450 16.399 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.008 0.812 18.906 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.177 2.007 19.350 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.204 4.143 20.159 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.116 2.775 20.496 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.770 3.874 19.139 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.660 4.115 18.132 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.230 3.849 17.107 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.610 2.729 17.018 1.00 0.00 H new ATOM 1225 N LEU A 77 -4.034 -0.404 17.841 1.00 0.00 N ATOM 1226 CA LEU A 77 -4.852 -1.352 17.030 1.00 0.00 C ATOM 1227 C LEU A 77 -6.292 -1.382 17.553 1.00 0.00 C ATOM 1228 O LEU A 77 -6.540 -1.150 18.720 1.00 0.00 O ATOM 1229 CB LEU A 77 -4.187 -2.718 17.213 1.00 0.00 C ATOM 1230 CG LEU A 77 -4.117 -3.068 18.705 1.00 0.00 C ATOM 1231 CD1 LEU A 77 -4.786 -4.423 18.951 1.00 0.00 C ATOM 1232 CD2 LEU A 77 -2.652 -3.137 19.148 1.00 0.00 C ATOM 0 H LEU A 77 -4.107 -0.525 18.851 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.897 -1.063 15.980 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.751 -3.482 16.677 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.184 -2.704 16.786 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.636 -2.299 19.278 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.734 -4.667 20.012 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.830 -4.375 18.641 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.271 -5.193 18.376 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.604 -3.386 20.208 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.133 -3.903 18.572 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.175 -2.171 18.980 1.00 0.00 H new ATOM 1244 N GLU A 78 -7.239 -1.665 16.700 1.00 0.00 N ATOM 1245 CA GLU A 78 -8.661 -1.710 17.152 1.00 0.00 C ATOM 1246 C GLU A 78 -9.112 -3.160 17.365 1.00 0.00 C ATOM 1247 O GLU A 78 -10.130 -3.416 17.976 1.00 0.00 O ATOM 1248 CB GLU A 78 -9.458 -1.058 16.022 1.00 0.00 C ATOM 1249 CG GLU A 78 -10.911 -0.866 16.465 1.00 0.00 C ATOM 1250 CD GLU A 78 -11.751 -0.406 15.273 1.00 0.00 C ATOM 1251 OE1 GLU A 78 -12.182 -1.258 14.513 1.00 0.00 O ATOM 1252 OE2 GLU A 78 -11.952 0.791 15.140 1.00 0.00 O ATOM 0 H GLU A 78 -7.091 -1.867 15.711 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.805 -1.196 18.102 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.017 -0.096 15.760 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.419 -1.681 15.129 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.307 -1.800 16.864 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.964 -0.129 17.267 1.00 0.00 H new ATOM 1259 N GLU A 79 -8.365 -4.110 16.864 1.00 0.00 N ATOM 1260 CA GLU A 79 -8.754 -5.542 17.039 1.00 0.00 C ATOM 1261 C GLU A 79 -8.968 -5.862 18.523 1.00 0.00 C ATOM 1262 O GLU A 79 -10.064 -6.172 18.947 1.00 0.00 O ATOM 1263 CB GLU A 79 -7.576 -6.345 16.485 1.00 0.00 C ATOM 1264 CG GLU A 79 -7.956 -7.823 16.404 1.00 0.00 C ATOM 1265 CD GLU A 79 -6.720 -8.651 16.046 1.00 0.00 C ATOM 1266 OE1 GLU A 79 -6.095 -8.341 15.044 1.00 0.00 O ATOM 1267 OE2 GLU A 79 -6.419 -9.578 16.779 1.00 0.00 O ATOM 0 H GLU A 79 -7.503 -3.956 16.341 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.687 -5.777 16.527 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.303 -5.975 15.497 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.703 -6.218 17.125 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.366 -8.156 17.357 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.734 -7.969 15.654 1.00 0.00 H new ATOM 1274 N ASP A 80 -7.930 -5.783 19.313 1.00 0.00 N ATOM 1275 CA ASP A 80 -8.073 -6.078 20.767 1.00 0.00 C ATOM 1276 C ASP A 80 -8.208 -4.773 21.558 1.00 0.00 C ATOM 1277 O ASP A 80 -8.786 -4.742 22.628 1.00 0.00 O ATOM 1278 CB ASP A 80 -6.787 -6.810 21.153 1.00 0.00 C ATOM 1279 CG ASP A 80 -6.920 -7.364 22.573 1.00 0.00 C ATOM 1280 OD1 ASP A 80 -7.885 -8.067 22.823 1.00 0.00 O ATOM 1281 OD2 ASP A 80 -6.055 -7.076 23.384 1.00 0.00 O ATOM 0 H ASP A 80 -6.989 -5.527 19.013 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.959 -6.674 20.983 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.594 -7.622 20.452 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.938 -6.129 21.095 1.00 0.00 H new ATOM 1286 N GLY A 81 -7.680 -3.697 21.040 1.00 0.00 N ATOM 1287 CA GLY A 81 -7.775 -2.393 21.756 1.00 0.00 C ATOM 1288 C GLY A 81 -6.566 -2.224 22.678 1.00 0.00 C ATOM 1289 O GLY A 81 -6.696 -2.190 23.886 1.00 0.00 O ATOM 0 H GLY A 81 -7.185 -3.665 20.149 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.814 -1.574 21.038 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.696 -2.352 22.337 1.00 0.00 H new ATOM 1293 N THR A 82 -5.390 -2.116 22.118 1.00 0.00 N ATOM 1294 CA THR A 82 -4.171 -1.949 22.964 1.00 0.00 C ATOM 1295 C THR A 82 -3.207 -0.946 22.322 1.00 0.00 C ATOM 1296 O THR A 82 -3.330 -0.605 21.162 1.00 0.00 O ATOM 1297 CB THR A 82 -3.536 -3.337 23.024 1.00 0.00 C ATOM 1298 OG1 THR A 82 -4.478 -4.264 23.544 1.00 0.00 O ATOM 1299 CG2 THR A 82 -2.304 -3.296 23.931 1.00 0.00 C ATOM 0 H THR A 82 -5.221 -2.136 21.112 1.00 0.00 H new ATOM 0 HA THR A 82 -4.410 -1.566 23.956 1.00 0.00 H new ATOM 0 HB THR A 82 -3.237 -3.645 22.022 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.073 -5.156 23.582 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.851 -4.286 23.974 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.582 -2.583 23.532 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.601 -2.989 24.934 1.00 0.00 H new ATOM 1307 N ALA A 83 -2.245 -0.473 23.072 1.00 0.00 N ATOM 1308 CA ALA A 83 -1.266 0.506 22.513 1.00 0.00 C ATOM 1309 C ALA A 83 -0.066 -0.231 21.909 1.00 0.00 C ATOM 1310 O ALA A 83 0.189 -1.377 22.219 1.00 0.00 O ATOM 1311 CB ALA A 83 -0.829 1.354 23.707 1.00 0.00 C ATOM 0 H ALA A 83 -2.095 -0.723 24.049 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.698 1.114 21.718 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.106 2.101 23.378 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.698 1.854 24.136 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.371 0.713 24.460 1.00 0.00 H new ATOM 1317 N VAL A 84 0.668 0.422 21.047 1.00 0.00 N ATOM 1318 CA VAL A 84 1.850 -0.239 20.419 1.00 0.00 C ATOM 1319 C VAL A 84 2.973 0.778 20.195 1.00 0.00 C ATOM 1320 O VAL A 84 2.770 1.817 19.596 1.00 0.00 O ATOM 1321 CB VAL A 84 1.337 -0.779 19.082 1.00 0.00 C ATOM 1322 CG1 VAL A 84 2.478 -1.466 18.330 1.00 0.00 C ATOM 1323 CG2 VAL A 84 0.218 -1.789 19.341 1.00 0.00 C ATOM 0 H VAL A 84 0.500 1.384 20.751 1.00 0.00 H new ATOM 0 HA VAL A 84 2.262 -1.029 21.047 1.00 0.00 H new ATOM 0 HB VAL A 84 0.956 0.046 18.481 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.108 -1.849 17.379 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.277 -0.748 18.146 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.863 -2.292 18.928 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.150 -2.176 18.391 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.603 -2.612 19.943 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.597 -1.300 19.874 1.00 0.00 H new ATOM 1333 N ASP A 85 4.153 0.484 20.670 1.00 0.00 N ATOM 1334 CA ASP A 85 5.293 1.431 20.481 1.00 0.00 C ATOM 1335 C ASP A 85 6.601 0.656 20.285 1.00 0.00 C ATOM 1336 O ASP A 85 7.680 1.201 20.421 1.00 0.00 O ATOM 1337 CB ASP A 85 5.344 2.257 21.770 1.00 0.00 C ATOM 1338 CG ASP A 85 5.502 1.325 22.976 1.00 0.00 C ATOM 1339 OD1 ASP A 85 4.497 0.817 23.442 1.00 0.00 O ATOM 1340 OD2 ASP A 85 6.627 1.141 23.412 1.00 0.00 O ATOM 0 H ASP A 85 4.378 -0.370 21.181 1.00 0.00 H new ATOM 0 HA ASP A 85 5.164 2.060 19.600 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.176 2.960 21.730 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.433 2.847 21.871 1.00 0.00 H new ATOM 1345 N SER A 86 6.514 -0.609 19.969 1.00 0.00 N ATOM 1346 CA SER A 86 7.750 -1.420 19.768 1.00 0.00 C ATOM 1347 C SER A 86 7.528 -2.466 18.671 1.00 0.00 C ATOM 1348 O SER A 86 6.442 -2.607 18.146 1.00 0.00 O ATOM 1349 CB SER A 86 8.006 -2.099 21.111 1.00 0.00 C ATOM 1350 OG SER A 86 9.040 -3.061 20.961 1.00 0.00 O ATOM 0 H SER A 86 5.638 -1.116 19.841 1.00 0.00 H new ATOM 0 HA SER A 86 8.595 -0.807 19.455 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.289 -1.358 21.858 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.095 -2.580 21.468 1.00 0.00 H new ATOM 0 HG SER A 86 9.208 -3.498 21.822 1.00 0.00 H new ATOM 1356 N GLU A 87 8.553 -3.199 18.329 1.00 0.00 N ATOM 1357 CA GLU A 87 8.410 -4.244 17.269 1.00 0.00 C ATOM 1358 C GLU A 87 7.322 -5.260 17.652 1.00 0.00 C ATOM 1359 O GLU A 87 6.851 -6.017 16.825 1.00 0.00 O ATOM 1360 CB GLU A 87 9.778 -4.925 17.203 1.00 0.00 C ATOM 1361 CG GLU A 87 9.820 -5.876 16.005 1.00 0.00 C ATOM 1362 CD GLU A 87 11.221 -5.865 15.392 1.00 0.00 C ATOM 1363 OE1 GLU A 87 12.177 -5.953 16.145 1.00 0.00 O ATOM 1364 OE2 GLU A 87 11.315 -5.766 14.179 1.00 0.00 O ATOM 0 H GLU A 87 9.485 -3.121 18.737 1.00 0.00 H new ATOM 0 HA GLU A 87 8.114 -3.817 16.311 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.565 -4.176 17.113 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.966 -5.476 18.124 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.557 -6.886 16.320 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.084 -5.573 15.261 1.00 0.00 H new ATOM 1371 N ASP A 88 6.924 -5.285 18.899 1.00 0.00 N ATOM 1372 CA ASP A 88 5.869 -6.250 19.338 1.00 0.00 C ATOM 1373 C ASP A 88 4.540 -5.989 18.612 1.00 0.00 C ATOM 1374 O ASP A 88 3.614 -6.767 18.718 1.00 0.00 O ATOM 1375 CB ASP A 88 5.712 -6.010 20.839 1.00 0.00 C ATOM 1376 CG ASP A 88 4.804 -7.088 21.436 1.00 0.00 C ATOM 1377 OD1 ASP A 88 5.256 -8.215 21.554 1.00 0.00 O ATOM 1378 OD2 ASP A 88 3.673 -6.768 21.763 1.00 0.00 O ATOM 0 H ASP A 88 7.285 -4.677 19.634 1.00 0.00 H new ATOM 0 HA ASP A 88 6.147 -7.279 19.109 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.687 -6.031 21.325 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.288 -5.022 21.018 1.00 0.00 H new ATOM 1383 N PHE A 89 4.435 -4.898 17.887 1.00 0.00 N ATOM 1384 CA PHE A 89 3.163 -4.578 17.161 1.00 0.00 C ATOM 1385 C PHE A 89 2.541 -5.846 16.550 1.00 0.00 C ATOM 1386 O PHE A 89 1.552 -6.357 17.038 1.00 0.00 O ATOM 1387 CB PHE A 89 3.581 -3.597 16.058 1.00 0.00 C ATOM 1388 CG PHE A 89 2.444 -3.396 15.081 1.00 0.00 C ATOM 1389 CD1 PHE A 89 1.154 -3.134 15.547 1.00 0.00 C ATOM 1390 CD2 PHE A 89 2.687 -3.474 13.707 1.00 0.00 C ATOM 1391 CE1 PHE A 89 0.102 -2.948 14.642 1.00 0.00 C ATOM 1392 CE2 PHE A 89 1.642 -3.291 12.796 1.00 0.00 C ATOM 1393 CZ PHE A 89 0.335 -3.026 13.255 1.00 0.00 C ATOM 0 H PHE A 89 5.180 -4.212 17.767 1.00 0.00 H new ATOM 0 HA PHE A 89 2.408 -4.159 17.826 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.865 -2.641 16.499 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.457 -3.979 15.534 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.967 -3.075 16.609 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.685 -3.676 13.348 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.893 -2.744 15.009 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.837 -3.353 11.736 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.474 -2.885 12.554 1.00 0.00 H new ATOM 1403 N PHE A 90 3.113 -6.349 15.489 1.00 0.00 N ATOM 1404 CA PHE A 90 2.550 -7.577 14.850 1.00 0.00 C ATOM 1405 C PHE A 90 2.553 -8.750 15.837 1.00 0.00 C ATOM 1406 O PHE A 90 1.820 -9.706 15.677 1.00 0.00 O ATOM 1407 CB PHE A 90 3.478 -7.874 13.670 1.00 0.00 C ATOM 1408 CG PHE A 90 3.120 -6.978 12.506 1.00 0.00 C ATOM 1409 CD1 PHE A 90 1.864 -7.082 11.904 1.00 0.00 C ATOM 1410 CD2 PHE A 90 4.048 -6.050 12.030 1.00 0.00 C ATOM 1411 CE1 PHE A 90 1.532 -6.259 10.821 1.00 0.00 C ATOM 1412 CE2 PHE A 90 3.725 -5.223 10.949 1.00 0.00 C ATOM 1413 CZ PHE A 90 2.462 -5.318 10.330 1.00 0.00 C ATOM 0 H PHE A 90 3.943 -5.965 15.037 1.00 0.00 H new ATOM 0 HA PHE A 90 1.517 -7.433 14.535 1.00 0.00 H new ATOM 0 HB2 PHE A 90 4.516 -7.712 13.961 1.00 0.00 H new ATOM 0 HB3 PHE A 90 3.388 -8.920 13.378 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.147 -7.799 12.275 1.00 0.00 H new ATOM 0 HD2 PHE A 90 5.018 -5.970 12.498 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.559 -6.345 10.359 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.448 -4.507 10.586 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.210 -4.682 9.494 1.00 0.00 H new ATOM 1423 N GLN A 91 3.373 -8.687 16.854 1.00 0.00 N ATOM 1424 CA GLN A 91 3.423 -9.804 17.845 1.00 0.00 C ATOM 1425 C GLN A 91 2.273 -9.681 18.854 1.00 0.00 C ATOM 1426 O GLN A 91 1.933 -10.630 19.533 1.00 0.00 O ATOM 1427 CB GLN A 91 4.772 -9.649 18.549 1.00 0.00 C ATOM 1428 CG GLN A 91 5.030 -10.871 19.435 1.00 0.00 C ATOM 1429 CD GLN A 91 5.511 -12.038 18.571 1.00 0.00 C ATOM 1430 OE1 GLN A 91 4.864 -12.405 17.610 1.00 0.00 O ATOM 1431 NE2 GLN A 91 6.629 -12.641 18.873 1.00 0.00 N ATOM 0 H GLN A 91 4.009 -7.912 17.041 1.00 0.00 H new ATOM 0 HA GLN A 91 3.319 -10.779 17.368 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.569 -9.546 17.812 1.00 0.00 H new ATOM 0 HB3 GLN A 91 4.777 -8.741 19.153 1.00 0.00 H new ATOM 0 HG2 GLN A 91 5.778 -10.633 20.192 1.00 0.00 H new ATOM 0 HG3 GLN A 91 4.118 -11.148 19.964 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.173 -12.334 19.679 1.00 0.00 H new ATOM 0 HE22 GLN A 91 6.959 -13.420 18.302 1.00 0.00 H new ATOM 1440 N LEU A 92 1.676 -8.523 18.959 1.00 0.00 N ATOM 1441 CA LEU A 92 0.551 -8.345 19.926 1.00 0.00 C ATOM 1442 C LEU A 92 -0.759 -8.866 19.321 1.00 0.00 C ATOM 1443 O LEU A 92 -1.694 -9.188 20.028 1.00 0.00 O ATOM 1444 CB LEU A 92 0.484 -6.832 20.174 1.00 0.00 C ATOM 1445 CG LEU A 92 -0.471 -6.498 21.336 1.00 0.00 C ATOM 1446 CD1 LEU A 92 -1.918 -6.525 20.842 1.00 0.00 C ATOM 1447 CD2 LEU A 92 -0.304 -7.510 22.477 1.00 0.00 C ATOM 0 H LEU A 92 1.918 -7.693 18.418 1.00 0.00 H new ATOM 0 HA LEU A 92 0.703 -8.900 20.852 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.481 -6.454 20.399 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.149 -6.327 19.268 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.229 -5.502 21.707 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.589 -6.288 21.668 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.045 -5.789 20.048 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.153 -7.517 20.457 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.986 -7.259 23.289 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.529 -8.512 22.111 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.722 -7.480 22.843 1.00 0.00 H new ATOM 1459 N LEU A 93 -0.832 -8.956 18.017 1.00 0.00 N ATOM 1460 CA LEU A 93 -2.081 -9.462 17.370 1.00 0.00 C ATOM 1461 C LEU A 93 -1.774 -10.697 16.517 1.00 0.00 C ATOM 1462 O LEU A 93 -0.658 -10.896 16.079 1.00 0.00 O ATOM 1463 CB LEU A 93 -2.561 -8.320 16.469 1.00 0.00 C ATOM 1464 CG LEU A 93 -2.726 -7.039 17.288 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -1.455 -6.196 17.174 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -3.912 -6.239 16.748 1.00 0.00 C ATOM 0 H LEU A 93 -0.083 -8.702 17.374 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.830 -9.750 18.108 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.845 -8.156 15.664 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.509 -8.588 16.003 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.903 -7.296 18.332 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.571 -5.282 17.757 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.606 -6.764 17.554 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.281 -5.940 16.129 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.031 -5.326 17.331 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.733 -5.982 15.704 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.820 -6.838 16.824 1.00 0.00 H new ATOM 1478 N GLU A 94 -2.760 -11.519 16.262 1.00 0.00 N ATOM 1479 CA GLU A 94 -2.523 -12.725 15.416 1.00 0.00 C ATOM 1480 C GLU A 94 -2.146 -12.274 14.005 1.00 0.00 C ATOM 1481 O GLU A 94 -2.155 -11.094 13.711 1.00 0.00 O ATOM 1482 CB GLU A 94 -3.853 -13.481 15.407 1.00 0.00 C ATOM 1483 CG GLU A 94 -3.591 -14.980 15.560 1.00 0.00 C ATOM 1484 CD GLU A 94 -4.636 -15.768 14.768 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -5.813 -15.570 15.018 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -4.241 -16.555 13.923 1.00 0.00 O ATOM 0 H GLU A 94 -3.715 -11.407 16.602 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.715 -13.354 15.790 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.489 -13.128 16.219 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.387 -13.288 14.476 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.590 -15.223 15.203 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.630 -15.261 16.613 1.00 0.00 H new ATOM 1493 N ASP A 95 -1.808 -13.181 13.125 1.00 0.00 N ATOM 1494 CA ASP A 95 -1.431 -12.747 11.748 1.00 0.00 C ATOM 1495 C ASP A 95 -2.613 -12.034 11.086 1.00 0.00 C ATOM 1496 O ASP A 95 -3.677 -12.595 10.910 1.00 0.00 O ATOM 1497 CB ASP A 95 -1.094 -14.036 11.000 1.00 0.00 C ATOM 1498 CG ASP A 95 -0.661 -13.701 9.570 1.00 0.00 C ATOM 1499 OD1 ASP A 95 0.179 -12.830 9.415 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -1.174 -14.323 8.655 1.00 0.00 O ATOM 0 H ASP A 95 -1.777 -14.186 13.296 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.593 -12.050 11.747 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -0.297 -14.570 11.517 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.961 -14.696 10.983 1.00 0.00 H new ATOM 1505 N ASP A 96 -2.422 -10.800 10.716 1.00 0.00 N ATOM 1506 CA ASP A 96 -3.516 -10.026 10.056 1.00 0.00 C ATOM 1507 C ASP A 96 -2.952 -8.720 9.494 1.00 0.00 C ATOM 1508 O ASP A 96 -1.800 -8.395 9.707 1.00 0.00 O ATOM 1509 CB ASP A 96 -4.541 -9.747 11.160 1.00 0.00 C ATOM 1510 CG ASP A 96 -3.876 -9.001 12.320 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -3.268 -7.972 12.069 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -3.988 -9.467 13.441 1.00 0.00 O ATOM 0 H ASP A 96 -1.549 -10.288 10.842 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.968 -10.567 9.225 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.364 -9.155 10.761 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.967 -10.685 11.517 1.00 0.00 H new ATOM 1517 N THR A 97 -3.752 -7.952 8.803 1.00 0.00 N ATOM 1518 CA THR A 97 -3.243 -6.661 8.266 1.00 0.00 C ATOM 1519 C THR A 97 -4.074 -5.504 8.831 1.00 0.00 C ATOM 1520 O THR A 97 -5.172 -5.239 8.387 1.00 0.00 O ATOM 1521 CB THR A 97 -3.411 -6.749 6.748 1.00 0.00 C ATOM 1522 OG1 THR A 97 -3.407 -8.111 6.342 1.00 0.00 O ATOM 1523 CG2 THR A 97 -2.258 -6.010 6.063 1.00 0.00 C ATOM 0 H THR A 97 -4.727 -8.162 8.590 1.00 0.00 H new ATOM 0 HA THR A 97 -2.203 -6.483 8.541 1.00 0.00 H new ATOM 0 HB THR A 97 -4.359 -6.291 6.464 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.517 -8.163 5.370 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.377 -6.073 4.981 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.264 -4.964 6.369 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.311 -6.467 6.351 1.00 0.00 H new ATOM 1531 N CYS A 98 -3.543 -4.813 9.802 1.00 0.00 N ATOM 1532 CA CYS A 98 -4.283 -3.666 10.404 1.00 0.00 C ATOM 1533 C CYS A 98 -3.300 -2.539 10.724 1.00 0.00 C ATOM 1534 O CYS A 98 -2.245 -2.775 11.280 1.00 0.00 O ATOM 1535 CB CYS A 98 -4.902 -4.222 11.687 1.00 0.00 C ATOM 1536 SG CYS A 98 -6.253 -3.144 12.222 1.00 0.00 S ATOM 0 H CYS A 98 -2.624 -4.994 10.207 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.042 -3.257 9.737 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -5.275 -5.232 11.516 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.145 -4.290 12.469 1.00 0.00 H new ATOM 0 HG CYS A 98 -6.781 -3.618 13.311 1.00 0.00 H new ATOM 1542 N LEU A 99 -3.625 -1.322 10.385 1.00 0.00 N ATOM 1543 CA LEU A 99 -2.685 -0.205 10.685 1.00 0.00 C ATOM 1544 C LEU A 99 -3.438 1.047 11.134 1.00 0.00 C ATOM 1545 O LEU A 99 -4.365 1.496 10.488 1.00 0.00 O ATOM 1546 CB LEU A 99 -1.942 0.059 9.376 1.00 0.00 C ATOM 1547 CG LEU A 99 -0.712 0.930 9.654 1.00 0.00 C ATOM 1548 CD1 LEU A 99 0.541 0.054 9.677 1.00 0.00 C ATOM 1549 CD2 LEU A 99 -0.573 1.989 8.557 1.00 0.00 C ATOM 0 H LEU A 99 -4.491 -1.054 9.918 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.007 -0.463 11.498 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.638 -0.884 8.921 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.601 0.558 8.665 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.830 1.422 10.620 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.415 0.674 9.875 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.445 -0.698 10.460 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.657 -0.440 8.712 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.302 2.607 8.757 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.458 1.499 7.590 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.464 2.616 8.542 1.00 0.00 H new ATOM 1561 N MET A 100 -3.027 1.620 12.229 1.00 0.00 N ATOM 1562 CA MET A 100 -3.687 2.857 12.727 1.00 0.00 C ATOM 1563 C MET A 100 -2.614 3.887 13.081 1.00 0.00 C ATOM 1564 O MET A 100 -1.636 3.574 13.729 1.00 0.00 O ATOM 1565 CB MET A 100 -4.455 2.426 13.978 1.00 0.00 C ATOM 1566 CG MET A 100 -5.549 3.453 14.290 1.00 0.00 C ATOM 1567 SD MET A 100 -7.153 2.622 14.405 1.00 0.00 S ATOM 1568 CE MET A 100 -6.858 1.773 15.976 1.00 0.00 C ATOM 0 H MET A 100 -2.256 1.282 12.805 1.00 0.00 H new ATOM 0 HA MET A 100 -4.350 3.310 11.990 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.899 1.443 13.823 1.00 0.00 H new ATOM 0 HB3 MET A 100 -3.773 2.338 14.824 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.325 3.963 15.227 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.579 4.215 13.511 1.00 0.00 H new ATOM 0 HE1 MET A 100 -7.767 1.260 16.289 1.00 0.00 H new ATOM 0 HE2 MET A 100 -6.056 1.046 15.851 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.573 2.501 16.735 1.00 0.00 H new ATOM 1578 N VAL A 101 -2.784 5.110 12.661 1.00 0.00 N ATOM 1579 CA VAL A 101 -1.762 6.150 12.977 1.00 0.00 C ATOM 1580 C VAL A 101 -2.443 7.478 13.303 1.00 0.00 C ATOM 1581 O VAL A 101 -3.055 8.099 12.454 1.00 0.00 O ATOM 1582 CB VAL A 101 -0.922 6.266 11.702 1.00 0.00 C ATOM 1583 CG1 VAL A 101 0.156 7.337 11.887 1.00 0.00 C ATOM 1584 CG2 VAL A 101 -0.253 4.920 11.410 1.00 0.00 C ATOM 0 H VAL A 101 -3.582 5.434 12.115 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.154 5.891 13.844 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.568 6.544 10.870 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.751 7.416 10.977 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.317 8.297 12.095 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.803 7.062 12.720 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.346 5.000 10.503 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.390 4.644 12.246 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.018 4.156 11.274 1.00 0.00 H new ATOM 1594 N LEU A 102 -2.339 7.921 14.526 1.00 0.00 N ATOM 1595 CA LEU A 102 -2.978 9.213 14.910 1.00 0.00 C ATOM 1596 C LEU A 102 -2.137 9.926 15.974 1.00 0.00 C ATOM 1597 O LEU A 102 -1.154 9.401 16.458 1.00 0.00 O ATOM 1598 CB LEU A 102 -4.357 8.837 15.460 1.00 0.00 C ATOM 1599 CG LEU A 102 -4.215 7.844 16.615 1.00 0.00 C ATOM 1600 CD1 LEU A 102 -5.438 7.948 17.525 1.00 0.00 C ATOM 1601 CD2 LEU A 102 -4.116 6.419 16.060 1.00 0.00 C ATOM 0 H LEU A 102 -1.839 7.444 15.277 1.00 0.00 H new ATOM 0 HA LEU A 102 -3.059 9.898 14.066 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.876 9.732 15.803 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.965 8.400 14.668 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.314 8.075 17.182 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.340 7.241 18.349 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.511 8.961 17.922 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.337 7.716 16.954 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -4.015 5.714 16.885 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.017 6.186 15.492 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.246 6.342 15.408 1.00 0.00 H new ATOM 1613 N GLN A 103 -2.521 11.119 16.341 1.00 0.00 N ATOM 1614 CA GLN A 103 -1.750 11.871 17.374 1.00 0.00 C ATOM 1615 C GLN A 103 -2.110 11.362 18.772 1.00 0.00 C ATOM 1616 O GLN A 103 -2.961 10.511 18.929 1.00 0.00 O ATOM 1617 CB GLN A 103 -2.176 13.330 17.204 1.00 0.00 C ATOM 1618 CG GLN A 103 -1.131 14.247 17.843 1.00 0.00 C ATOM 1619 CD GLN A 103 -1.268 15.658 17.269 1.00 0.00 C ATOM 1620 OE1 GLN A 103 -0.310 16.225 16.781 1.00 0.00 O ATOM 1621 NE2 GLN A 103 -2.430 16.254 17.308 1.00 0.00 N ATOM 0 H GLN A 103 -3.337 11.606 15.970 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.673 11.748 17.259 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.284 13.567 16.146 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.149 13.492 17.668 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.264 14.269 18.925 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.129 13.862 17.653 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -3.234 15.778 17.718 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -2.533 17.195 16.929 1.00 0.00 H new ATOM 1630 N SER A 104 -1.455 11.872 19.785 1.00 0.00 N ATOM 1631 CA SER A 104 -1.742 11.423 21.186 1.00 0.00 C ATOM 1632 C SER A 104 -3.252 11.343 21.439 1.00 0.00 C ATOM 1633 O SER A 104 -4.050 11.842 20.668 1.00 0.00 O ATOM 1634 CB SER A 104 -1.109 12.492 22.076 1.00 0.00 C ATOM 1635 OG SER A 104 -1.905 13.669 22.034 1.00 0.00 O ATOM 0 H SER A 104 -0.729 12.584 19.703 1.00 0.00 H new ATOM 0 HA SER A 104 -1.343 10.428 21.383 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.030 12.129 23.101 1.00 0.00 H new ATOM 0 HB3 SER A 104 -0.097 12.711 21.737 1.00 0.00 H new ATOM 0 HG SER A 104 -1.503 14.356 22.605 1.00 0.00 H new ATOM 1641 N GLY A 105 -3.647 10.714 22.514 1.00 0.00 N ATOM 1642 CA GLY A 105 -5.101 10.589 22.819 1.00 0.00 C ATOM 1643 C GLY A 105 -5.637 9.304 22.185 1.00 0.00 C ATOM 1644 O GLY A 105 -6.341 9.333 21.195 1.00 0.00 O ATOM 0 H GLY A 105 -3.023 10.281 23.195 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.259 10.570 23.897 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.642 11.453 22.433 1.00 0.00 H new ATOM 1648 N GLN A 106 -5.301 8.174 22.750 1.00 0.00 N ATOM 1649 CA GLN A 106 -5.779 6.878 22.184 1.00 0.00 C ATOM 1650 C GLN A 106 -7.209 6.590 22.646 1.00 0.00 C ATOM 1651 O GLN A 106 -7.486 6.509 23.829 1.00 0.00 O ATOM 1652 CB GLN A 106 -4.812 5.833 22.738 1.00 0.00 C ATOM 1653 CG GLN A 106 -5.197 4.447 22.217 1.00 0.00 C ATOM 1654 CD GLN A 106 -4.425 3.379 22.993 1.00 0.00 C ATOM 1655 OE1 GLN A 106 -4.289 3.467 24.199 1.00 0.00 O ATOM 1656 NE2 GLN A 106 -3.908 2.368 22.351 1.00 0.00 N ATOM 0 H GLN A 106 -4.715 8.093 23.581 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.798 6.882 21.094 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.792 6.074 22.440 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.836 5.842 23.828 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.270 4.289 22.329 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.973 4.372 21.153 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.022 2.294 21.340 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -3.390 1.652 22.860 1.00 0.00 H new ATOM 1665 N SER A 107 -8.120 6.432 21.722 1.00 0.00 N ATOM 1666 CA SER A 107 -9.533 6.145 22.107 1.00 0.00 C ATOM 1667 C SER A 107 -10.143 5.109 21.158 1.00 0.00 C ATOM 1668 O SER A 107 -9.944 5.156 19.960 1.00 0.00 O ATOM 1669 CB SER A 107 -10.261 7.482 21.973 1.00 0.00 C ATOM 1670 OG SER A 107 -9.413 8.531 22.419 1.00 0.00 O ATOM 0 H SER A 107 -7.947 6.489 20.718 1.00 0.00 H new ATOM 0 HA SER A 107 -9.608 5.737 23.115 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.548 7.649 20.935 1.00 0.00 H new ATOM 0 HB3 SER A 107 -11.179 7.468 22.560 1.00 0.00 H new ATOM 0 HG SER A 107 -9.880 9.388 22.332 1.00 0.00 H new