USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 HIS : no HD1:sc= -0.0667 K(o=-2.4,f=-3.6) USER MOD Set 1.2: A 100 MET CE :methyl -135:sc= -2.36 (180deg=-6.9!) USER MOD Set 2.1: A 35 GLN : amide:sc=-0.000554 X(o=0.46,f=0.33) USER MOD Set 2.2: A 52 THR OG1 : rot 23:sc= 0.456 USER MOD Single : A 41 CYS SG : rot 180:sc= -0.266 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -151:sc= -4.71! USER MOD Single : A 49 LYS NZ :NH3+ 161:sc=-0.00598 (180deg=-0.171) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.698 USER MOD Single : A 57 GLN : amide:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.71 K(o=-1.7,f=-8.3!) USER MOD Single : A 74 THR OG1 : rot 25:sc= 0.493 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0236 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.44) 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 103 GLN : amide:sc= -0.0423 K(o=-0.042,f=-1.3!) USER MOD Single : A 104 SER OG : rot -103:sc= 0.0642 USER MOD Single : A 106 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.4!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 525 N GLN A 35 6.728 -11.232 -0.885 1.00 0.00 N ATOM 526 CA GLN A 35 5.757 -10.150 -1.222 1.00 0.00 C ATOM 527 C GLN A 35 4.324 -10.640 -0.997 1.00 0.00 C ATOM 528 O GLN A 35 3.899 -11.623 -1.572 1.00 0.00 O ATOM 529 CB GLN A 35 5.992 -9.844 -2.703 1.00 0.00 C ATOM 530 CG GLN A 35 5.433 -8.461 -3.035 1.00 0.00 C ATOM 531 CD GLN A 35 5.367 -8.288 -4.555 1.00 0.00 C ATOM 532 OE1 GLN A 35 6.384 -8.170 -5.208 1.00 0.00 O ATOM 533 NE2 GLN A 35 4.204 -8.268 -5.147 1.00 0.00 N ATOM 0 HA GLN A 35 5.895 -9.266 -0.600 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.058 -9.880 -2.928 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.510 -10.601 -3.322 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.440 -8.345 -2.602 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.064 -7.687 -2.597 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.350 -8.367 -4.598 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.149 -8.153 -6.159 1.00 0.00 H new ATOM 542 N ARG A 36 3.579 -9.965 -0.163 1.00 0.00 N ATOM 543 CA ARG A 36 2.175 -10.395 0.101 1.00 0.00 C ATOM 544 C ARG A 36 1.228 -9.188 0.033 1.00 0.00 C ATOM 545 O ARG A 36 1.564 -8.116 0.496 1.00 0.00 O ATOM 546 CB ARG A 36 2.202 -10.975 1.517 1.00 0.00 C ATOM 547 CG ARG A 36 0.965 -11.846 1.740 1.00 0.00 C ATOM 548 CD ARG A 36 1.041 -13.089 0.847 1.00 0.00 C ATOM 549 NE ARG A 36 1.319 -14.215 1.780 1.00 0.00 N ATOM 550 CZ ARG A 36 2.106 -15.189 1.411 1.00 0.00 C ATOM 551 NH1 ARG A 36 1.872 -15.834 0.302 1.00 0.00 N ATOM 552 NH2 ARG A 36 3.129 -15.516 2.154 1.00 0.00 N ATOM 0 H ARG A 36 3.882 -9.135 0.347 1.00 0.00 H new ATOM 0 HA ARG A 36 1.819 -11.119 -0.632 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.106 -11.567 1.661 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.228 -10.169 2.250 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.901 -12.142 2.787 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.063 -11.278 1.513 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.107 -13.245 0.307 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.829 -12.991 0.100 1.00 0.00 H new ATOM 0 HE ARG A 36 0.895 -14.226 2.707 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.073 -15.578 -0.278 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.488 -16.595 0.015 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.312 -15.011 3.021 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.745 -16.277 1.867 1.00 0.00 H new ATOM 566 N PRO A 37 0.069 -9.398 -0.545 1.00 0.00 N ATOM 567 CA PRO A 37 -0.924 -8.302 -0.664 1.00 0.00 C ATOM 568 C PRO A 37 -1.539 -7.982 0.701 1.00 0.00 C ATOM 569 O PRO A 37 -2.463 -8.635 1.144 1.00 0.00 O ATOM 570 CB PRO A 37 -1.973 -8.870 -1.616 1.00 0.00 C ATOM 571 CG PRO A 37 -1.860 -10.353 -1.478 1.00 0.00 C ATOM 572 CD PRO A 37 -0.424 -10.653 -1.131 1.00 0.00 C ATOM 0 HA PRO A 37 -0.490 -7.369 -1.024 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.973 -8.524 -1.353 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.786 -8.554 -2.642 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.530 -10.721 -0.701 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.145 -10.850 -2.405 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.348 -11.480 -0.425 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.150 -10.934 -2.014 1.00 0.00 H new ATOM 580 N PHE A 38 -1.031 -6.981 1.371 1.00 0.00 N ATOM 581 CA PHE A 38 -1.583 -6.617 2.708 1.00 0.00 C ATOM 582 C PHE A 38 -2.609 -5.490 2.567 1.00 0.00 C ATOM 583 O PHE A 38 -2.447 -4.584 1.772 1.00 0.00 O ATOM 584 CB PHE A 38 -0.377 -6.144 3.522 1.00 0.00 C ATOM 585 CG PHE A 38 0.449 -7.337 3.944 1.00 0.00 C ATOM 586 CD1 PHE A 38 -0.155 -8.407 4.613 1.00 0.00 C ATOM 587 CD2 PHE A 38 1.821 -7.370 3.666 1.00 0.00 C ATOM 588 CE1 PHE A 38 0.612 -9.512 5.005 1.00 0.00 C ATOM 589 CE2 PHE A 38 2.588 -8.474 4.056 1.00 0.00 C ATOM 590 CZ PHE A 38 1.983 -9.546 4.726 1.00 0.00 C ATOM 0 H PHE A 38 -0.257 -6.400 1.049 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.093 -7.454 3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.230 -5.460 2.928 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.712 -5.592 4.400 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.213 -8.381 4.827 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.287 -6.543 3.151 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.145 -10.337 5.522 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.646 -8.500 3.841 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.575 -10.398 5.027 1.00 0.00 H new ATOM 600 N ARG A 39 -3.666 -5.539 3.335 1.00 0.00 N ATOM 601 CA ARG A 39 -4.706 -4.473 3.249 1.00 0.00 C ATOM 602 C ARG A 39 -4.565 -3.503 4.426 1.00 0.00 C ATOM 603 O ARG A 39 -4.721 -3.877 5.573 1.00 0.00 O ATOM 604 CB ARG A 39 -6.039 -5.218 3.325 1.00 0.00 C ATOM 605 CG ARG A 39 -7.170 -4.288 2.886 1.00 0.00 C ATOM 606 CD ARG A 39 -8.509 -5.018 3.021 1.00 0.00 C ATOM 607 NE ARG A 39 -9.538 -3.943 3.017 1.00 0.00 N ATOM 608 CZ ARG A 39 -10.770 -4.221 2.688 1.00 0.00 C ATOM 609 NH1 ARG A 39 -11.559 -4.806 3.547 1.00 0.00 N ATOM 610 NH2 ARG A 39 -11.213 -3.914 1.499 1.00 0.00 N ATOM 0 H ARG A 39 -3.854 -6.272 4.019 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.620 -3.881 2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.011 -6.101 2.686 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.215 -5.567 4.343 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.172 -3.386 3.497 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.017 -3.973 1.854 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.663 -5.715 2.197 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.550 -5.600 3.942 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.281 -2.989 3.271 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.213 -5.046 4.476 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.522 -5.023 3.290 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.596 -3.457 0.827 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.176 -4.131 1.242 1.00 0.00 H new ATOM 624 N VAL A 40 -4.274 -2.260 4.149 1.00 0.00 N ATOM 625 CA VAL A 40 -4.123 -1.261 5.248 1.00 0.00 C ATOM 626 C VAL A 40 -5.343 -0.336 5.289 1.00 0.00 C ATOM 627 O VAL A 40 -5.794 0.156 4.273 1.00 0.00 O ATOM 628 CB VAL A 40 -2.860 -0.472 4.896 1.00 0.00 C ATOM 629 CG1 VAL A 40 -2.610 0.604 5.958 1.00 0.00 C ATOM 630 CG2 VAL A 40 -1.660 -1.422 4.845 1.00 0.00 C ATOM 0 H VAL A 40 -4.134 -1.892 3.208 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.047 -1.731 6.229 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.993 0.002 3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.710 1.164 5.704 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.461 1.283 5.995 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.481 0.131 6.932 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.761 -0.859 4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.531 -1.898 5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.833 -2.186 4.087 1.00 0.00 H new ATOM 640 N CYS A 41 -5.877 -0.095 6.457 1.00 0.00 N ATOM 641 CA CYS A 41 -7.067 0.799 6.567 1.00 0.00 C ATOM 642 C CYS A 41 -6.828 1.862 7.642 1.00 0.00 C ATOM 643 O CYS A 41 -6.225 1.599 8.662 1.00 0.00 O ATOM 644 CB CYS A 41 -8.218 -0.124 6.970 1.00 0.00 C ATOM 645 SG CYS A 41 -8.659 -1.186 5.572 1.00 0.00 S ATOM 0 H CYS A 41 -5.540 -0.479 7.340 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.276 1.328 5.637 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.927 -0.733 7.826 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -9.081 0.467 7.278 1.00 0.00 H new ATOM 0 HG CYS A 41 -9.636 -1.972 5.915 1.00 0.00 H new ATOM 651 N ASP A 42 -7.296 3.061 7.420 1.00 0.00 N ATOM 652 CA ASP A 42 -7.093 4.144 8.428 1.00 0.00 C ATOM 653 C ASP A 42 -8.111 4.006 9.565 1.00 0.00 C ATOM 654 O ASP A 42 -8.950 3.127 9.548 1.00 0.00 O ATOM 655 CB ASP A 42 -7.305 5.449 7.668 1.00 0.00 C ATOM 656 CG ASP A 42 -6.436 6.542 8.292 1.00 0.00 C ATOM 657 OD1 ASP A 42 -6.815 7.052 9.333 1.00 0.00 O ATOM 658 OD2 ASP A 42 -5.403 6.849 7.718 1.00 0.00 O ATOM 0 H ASP A 42 -7.810 3.338 6.584 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.103 4.101 8.883 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.046 5.318 6.617 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.355 5.738 7.704 1.00 0.00 H new ATOM 663 N HIS A 43 -8.020 4.855 10.561 1.00 0.00 N ATOM 664 CA HIS A 43 -8.959 4.779 11.729 1.00 0.00 C ATOM 665 C HIS A 43 -10.370 4.333 11.301 1.00 0.00 C ATOM 666 O HIS A 43 -10.686 3.161 11.343 1.00 0.00 O ATOM 667 CB HIS A 43 -8.982 6.200 12.299 1.00 0.00 C ATOM 668 CG HIS A 43 -9.876 6.246 13.509 1.00 0.00 C ATOM 669 ND1 HIS A 43 -9.897 5.231 14.452 1.00 0.00 N ATOM 670 CD2 HIS A 43 -10.786 7.178 13.941 1.00 0.00 C ATOM 671 CE1 HIS A 43 -10.793 5.573 15.396 1.00 0.00 C ATOM 672 NE2 HIS A 43 -11.363 6.752 15.133 1.00 0.00 N ATOM 0 H HIS A 43 -7.330 5.604 10.616 1.00 0.00 H new ATOM 0 HA HIS A 43 -8.632 4.041 12.461 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.973 6.511 12.569 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.340 6.900 11.544 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.019 8.102 13.433 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -11.023 4.968 16.261 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -12.070 7.236 15.687 1.00 0.00 H new ATOM 680 N LYS A 44 -11.227 5.243 10.898 1.00 0.00 N ATOM 681 CA LYS A 44 -12.601 4.821 10.487 1.00 0.00 C ATOM 682 C LYS A 44 -12.672 4.559 8.977 1.00 0.00 C ATOM 683 O LYS A 44 -12.807 3.433 8.542 1.00 0.00 O ATOM 684 CB LYS A 44 -13.504 5.996 10.873 1.00 0.00 C ATOM 685 CG LYS A 44 -14.957 5.664 10.526 1.00 0.00 C ATOM 686 CD LYS A 44 -15.497 4.633 11.520 1.00 0.00 C ATOM 687 CE LYS A 44 -17.026 4.703 11.551 1.00 0.00 C ATOM 688 NZ LYS A 44 -17.480 3.292 11.394 1.00 0.00 N ATOM 0 H LYS A 44 -11.037 6.243 10.837 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.901 3.891 10.971 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.413 6.203 11.939 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.191 6.897 10.346 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.565 6.568 10.557 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.019 5.273 9.510 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.174 3.632 11.233 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.094 4.825 12.514 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.383 5.130 12.488 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.409 5.332 10.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.519 3.258 11.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.131 2.914 10.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.106 2.718 12.177 1.00 0.00 H new ATOM 702 N ARG A 45 -12.585 5.590 8.175 1.00 0.00 N ATOM 703 CA ARG A 45 -12.651 5.391 6.694 1.00 0.00 C ATOM 704 C ARG A 45 -11.919 6.516 5.950 1.00 0.00 C ATOM 705 O ARG A 45 -12.109 6.703 4.763 1.00 0.00 O ATOM 706 CB ARG A 45 -14.143 5.414 6.360 1.00 0.00 C ATOM 707 CG ARG A 45 -14.405 4.534 5.136 1.00 0.00 C ATOM 708 CD ARG A 45 -15.888 4.152 5.084 1.00 0.00 C ATOM 709 NE ARG A 45 -16.379 4.678 3.780 1.00 0.00 N ATOM 710 CZ ARG A 45 -17.658 4.845 3.584 1.00 0.00 C ATOM 711 NH1 ARG A 45 -18.389 5.424 4.497 1.00 0.00 N ATOM 712 NH2 ARG A 45 -18.207 4.433 2.473 1.00 0.00 N ATOM 0 H ARG A 45 -12.472 6.557 8.479 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.171 4.460 6.391 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.723 5.055 7.210 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.467 6.436 6.163 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.124 5.066 4.227 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -13.789 3.636 5.183 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.019 3.072 5.148 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.437 4.590 5.918 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.715 4.908 3.040 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -17.960 5.746 5.365 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -19.389 5.554 4.343 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -17.636 3.981 1.759 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -19.207 4.563 2.319 1.00 0.00 H new ATOM 726 N THR A 46 -11.099 7.278 6.627 1.00 0.00 N ATOM 727 CA THR A 46 -10.383 8.396 5.938 1.00 0.00 C ATOM 728 C THR A 46 -9.565 7.865 4.755 1.00 0.00 C ATOM 729 O THR A 46 -9.683 8.346 3.644 1.00 0.00 O ATOM 730 CB THR A 46 -9.464 9.009 6.999 1.00 0.00 C ATOM 731 OG1 THR A 46 -8.491 8.055 7.390 1.00 0.00 O ATOM 732 CG2 THR A 46 -10.289 9.431 8.215 1.00 0.00 C ATOM 0 H THR A 46 -10.894 7.177 7.621 1.00 0.00 H new ATOM 0 HA THR A 46 -11.078 9.132 5.533 1.00 0.00 H new ATOM 0 HB THR A 46 -8.966 9.885 6.583 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.218 8.227 8.315 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.631 9.867 8.967 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.032 10.168 7.912 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.792 8.559 8.634 1.00 0.00 H new ATOM 740 N ILE A 47 -8.738 6.881 4.982 1.00 0.00 N ATOM 741 CA ILE A 47 -7.916 6.323 3.866 1.00 0.00 C ATOM 742 C ILE A 47 -7.990 4.793 3.865 1.00 0.00 C ATOM 743 O ILE A 47 -7.899 4.156 4.897 1.00 0.00 O ATOM 744 CB ILE A 47 -6.487 6.799 4.149 1.00 0.00 C ATOM 745 CG1 ILE A 47 -6.415 8.322 3.992 1.00 0.00 C ATOM 746 CG2 ILE A 47 -5.519 6.141 3.161 1.00 0.00 C ATOM 747 CD1 ILE A 47 -6.385 8.984 5.373 1.00 0.00 C ATOM 0 H ILE A 47 -8.595 6.439 5.890 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.267 6.654 2.888 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.210 6.522 5.166 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.524 8.597 3.427 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.275 8.680 3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.504 6.481 3.365 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.567 5.058 3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.796 6.415 2.143 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.334 10.067 5.257 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.289 8.720 5.923 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.511 8.637 5.924 1.00 0.00 H new ATOM 759 N ARG A 48 -8.151 4.199 2.712 1.00 0.00 N ATOM 760 CA ARG A 48 -8.229 2.712 2.638 1.00 0.00 C ATOM 761 C ARG A 48 -7.466 2.206 1.410 1.00 0.00 C ATOM 762 O ARG A 48 -7.952 2.270 0.297 1.00 0.00 O ATOM 763 CB ARG A 48 -9.721 2.401 2.508 1.00 0.00 C ATOM 764 CG ARG A 48 -9.932 0.886 2.532 1.00 0.00 C ATOM 765 CD ARG A 48 -11.426 0.577 2.423 1.00 0.00 C ATOM 766 NE ARG A 48 -11.493 -0.778 1.810 1.00 0.00 N ATOM 767 CZ ARG A 48 -11.963 -0.924 0.602 1.00 0.00 C ATOM 768 NH1 ARG A 48 -11.463 -0.227 -0.383 1.00 0.00 N ATOM 769 NH2 ARG A 48 -12.932 -1.768 0.375 1.00 0.00 N ATOM 0 H ARG A 48 -8.232 4.681 1.817 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.787 2.229 3.509 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.273 2.868 3.324 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.110 2.818 1.579 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -9.392 0.420 1.708 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.529 0.467 3.454 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.905 0.592 3.402 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.938 1.315 1.806 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.172 -1.592 2.334 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -10.704 0.432 -0.208 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.831 -0.342 -1.327 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -13.323 -2.314 1.143 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -13.299 -1.881 -0.570 1.00 0.00 H new ATOM 783 N LYS A 49 -6.275 1.704 1.604 1.00 0.00 N ATOM 784 CA LYS A 49 -5.482 1.194 0.447 1.00 0.00 C ATOM 785 C LYS A 49 -4.854 -0.159 0.793 1.00 0.00 C ATOM 786 O LYS A 49 -4.376 -0.369 1.891 1.00 0.00 O ATOM 787 CB LYS A 49 -4.398 2.249 0.217 1.00 0.00 C ATOM 788 CG LYS A 49 -3.517 1.834 -0.964 1.00 0.00 C ATOM 789 CD LYS A 49 -4.279 2.055 -2.272 1.00 0.00 C ATOM 790 CE LYS A 49 -4.430 3.556 -2.534 1.00 0.00 C ATOM 791 NZ LYS A 49 -5.889 3.828 -2.402 1.00 0.00 N ATOM 0 H LYS A 49 -5.818 1.625 2.512 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.095 1.040 -0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.856 3.218 0.019 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.790 2.362 1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.595 2.415 -0.965 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.233 0.786 -0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.747 1.584 -3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.261 1.585 -2.216 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.853 4.141 -1.818 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.068 3.821 -3.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.040 4.845 -2.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.377 3.535 -3.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.270 3.294 -1.595 1.00 0.00 H new ATOM 805 N GLY A 50 -4.852 -1.079 -0.135 1.00 0.00 N ATOM 806 CA GLY A 50 -4.255 -2.418 0.140 1.00 0.00 C ATOM 807 C GLY A 50 -3.317 -2.804 -1.005 1.00 0.00 C ATOM 808 O GLY A 50 -3.754 -3.137 -2.090 1.00 0.00 O ATOM 0 H GLY A 50 -5.238 -0.961 -1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.707 -2.397 1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.043 -3.164 0.246 1.00 0.00 H new ATOM 812 N LEU A 51 -2.034 -2.760 -0.773 1.00 0.00 N ATOM 813 CA LEU A 51 -1.066 -3.124 -1.848 1.00 0.00 C ATOM 814 C LEU A 51 -0.062 -4.159 -1.332 1.00 0.00 C ATOM 815 O LEU A 51 0.083 -4.357 -0.142 1.00 0.00 O ATOM 816 CB LEU A 51 -0.352 -1.818 -2.198 1.00 0.00 C ATOM 817 CG LEU A 51 -1.308 -0.906 -2.969 1.00 0.00 C ATOM 818 CD1 LEU A 51 -0.758 0.522 -2.976 1.00 0.00 C ATOM 819 CD2 LEU A 51 -1.436 -1.406 -4.410 1.00 0.00 C ATOM 0 H LEU A 51 -1.613 -2.488 0.115 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.561 -3.565 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.012 -1.322 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.534 -2.025 -2.798 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.286 -0.917 -2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.439 1.172 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.663 0.880 -1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.220 0.533 -3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.117 -0.757 -4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.456 -1.393 -4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.826 -2.424 -4.409 1.00 0.00 H new ATOM 831 N THR A 52 0.632 -4.819 -2.221 1.00 0.00 N ATOM 832 CA THR A 52 1.629 -5.841 -1.785 1.00 0.00 C ATOM 833 C THR A 52 2.927 -5.157 -1.347 1.00 0.00 C ATOM 834 O THR A 52 3.488 -4.354 -2.066 1.00 0.00 O ATOM 835 CB THR A 52 1.876 -6.713 -3.022 1.00 0.00 C ATOM 836 OG1 THR A 52 2.383 -5.914 -4.087 1.00 0.00 O ATOM 837 CG2 THR A 52 0.564 -7.370 -3.458 1.00 0.00 C ATOM 0 H THR A 52 0.552 -4.695 -3.230 1.00 0.00 H new ATOM 0 HA THR A 52 1.274 -6.428 -0.938 1.00 0.00 H new ATOM 0 HB THR A 52 2.605 -7.484 -2.773 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.799 -5.106 -3.720 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.742 -7.989 -4.337 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.181 -7.991 -2.648 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.167 -6.598 -3.700 1.00 0.00 H new ATOM 845 N ALA A 53 3.406 -5.469 -0.172 1.00 0.00 N ATOM 846 CA ALA A 53 4.667 -4.836 0.313 1.00 0.00 C ATOM 847 C ALA A 53 5.567 -5.884 0.973 1.00 0.00 C ATOM 848 O ALA A 53 5.097 -6.834 1.568 1.00 0.00 O ATOM 849 CB ALA A 53 4.217 -3.794 1.340 1.00 0.00 C ATOM 0 H ALA A 53 2.979 -6.134 0.472 1.00 0.00 H new ATOM 0 HA ALA A 53 5.242 -4.389 -0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.090 -3.282 1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.562 -3.068 0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.679 -4.289 2.148 1.00 0.00 H new ATOM 855 N ALA A 54 6.857 -5.712 0.877 1.00 0.00 N ATOM 856 CA ALA A 54 7.795 -6.692 1.499 1.00 0.00 C ATOM 857 C ALA A 54 8.845 -5.950 2.331 1.00 0.00 C ATOM 858 O ALA A 54 9.809 -5.429 1.807 1.00 0.00 O ATOM 859 CB ALA A 54 8.453 -7.414 0.325 1.00 0.00 C ATOM 0 H ALA A 54 7.304 -4.933 0.393 1.00 0.00 H new ATOM 0 HA ALA A 54 7.287 -7.388 2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.159 -8.154 0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.688 -7.913 -0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.982 -6.691 -0.296 1.00 0.00 H new ATOM 865 N THR A 55 8.662 -5.897 3.624 1.00 0.00 N ATOM 866 CA THR A 55 9.645 -5.184 4.489 1.00 0.00 C ATOM 867 C THR A 55 9.632 -5.768 5.905 1.00 0.00 C ATOM 868 O THR A 55 8.595 -6.129 6.428 1.00 0.00 O ATOM 869 CB THR A 55 9.171 -3.730 4.500 1.00 0.00 C ATOM 870 OG1 THR A 55 8.844 -3.331 3.176 1.00 0.00 O ATOM 871 CG2 THR A 55 10.281 -2.832 5.045 1.00 0.00 C ATOM 0 H THR A 55 7.874 -6.317 4.118 1.00 0.00 H new ATOM 0 HA THR A 55 10.667 -5.279 4.122 1.00 0.00 H new ATOM 0 HB THR A 55 8.290 -3.640 5.136 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.539 -2.400 3.181 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.941 -1.796 5.052 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.531 -3.138 6.061 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.164 -2.920 4.412 1.00 0.00 H new ATOM 879 N ARG A 56 10.777 -5.868 6.528 1.00 0.00 N ATOM 880 CA ARG A 56 10.832 -6.435 7.908 1.00 0.00 C ATOM 881 C ARG A 56 10.687 -5.326 8.959 1.00 0.00 C ATOM 882 O ARG A 56 9.640 -5.162 9.556 1.00 0.00 O ATOM 883 CB ARG A 56 12.209 -7.101 8.006 1.00 0.00 C ATOM 884 CG ARG A 56 12.397 -7.691 9.406 1.00 0.00 C ATOM 885 CD ARG A 56 13.723 -8.451 9.467 1.00 0.00 C ATOM 886 NE ARG A 56 14.763 -7.397 9.633 1.00 0.00 N ATOM 887 CZ ARG A 56 15.669 -7.514 10.565 1.00 0.00 C ATOM 888 NH1 ARG A 56 16.450 -8.560 10.587 1.00 0.00 N ATOM 889 NH2 ARG A 56 15.793 -6.587 11.474 1.00 0.00 N ATOM 0 H ARG A 56 11.676 -5.582 6.141 1.00 0.00 H new ATOM 0 HA ARG A 56 10.022 -7.140 8.093 1.00 0.00 H new ATOM 0 HB2 ARG A 56 12.299 -7.886 7.255 1.00 0.00 H new ATOM 0 HB3 ARG A 56 12.992 -6.372 7.800 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.387 -6.896 10.151 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.571 -8.361 9.644 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.737 -9.154 10.300 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.889 -9.030 8.558 1.00 0.00 H new ATOM 0 HE ARG A 56 14.767 -6.583 9.018 1.00 0.00 H new ATOM 0 HH11 ARG A 56 16.352 -9.285 9.876 1.00 0.00 H new ATOM 0 HH12 ARG A 56 17.158 -8.652 11.315 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.182 -5.771 11.456 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.501 -6.678 12.202 1.00 0.00 H new ATOM 903 N GLN A 57 11.730 -4.575 9.201 1.00 0.00 N ATOM 904 CA GLN A 57 11.653 -3.490 10.223 1.00 0.00 C ATOM 905 C GLN A 57 11.201 -2.172 9.586 1.00 0.00 C ATOM 906 O GLN A 57 10.353 -1.479 10.113 1.00 0.00 O ATOM 907 CB GLN A 57 13.077 -3.359 10.764 1.00 0.00 C ATOM 908 CG GLN A 57 13.093 -2.367 11.929 1.00 0.00 C ATOM 909 CD GLN A 57 14.487 -2.341 12.558 1.00 0.00 C ATOM 910 OE1 GLN A 57 14.624 -2.396 13.764 1.00 0.00 O ATOM 911 NE2 GLN A 57 15.535 -2.260 11.785 1.00 0.00 N ATOM 0 H GLN A 57 12.632 -4.667 8.734 1.00 0.00 H new ATOM 0 HA GLN A 57 10.931 -3.720 11.007 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.442 -4.331 11.096 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.747 -3.019 9.974 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.823 -1.372 11.577 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.351 -2.653 12.675 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.420 -2.214 10.773 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.470 -2.243 12.193 1.00 0.00 H new ATOM 920 N GLU A 58 11.761 -1.819 8.460 1.00 0.00 N ATOM 921 CA GLU A 58 11.363 -0.542 7.796 1.00 0.00 C ATOM 922 C GLU A 58 9.868 -0.553 7.455 1.00 0.00 C ATOM 923 O GLU A 58 9.275 0.478 7.202 1.00 0.00 O ATOM 924 CB GLU A 58 12.211 -0.472 6.524 1.00 0.00 C ATOM 925 CG GLU A 58 11.901 0.825 5.773 1.00 0.00 C ATOM 926 CD GLU A 58 12.621 0.818 4.422 1.00 0.00 C ATOM 927 OE1 GLU A 58 12.721 -0.245 3.832 1.00 0.00 O ATOM 928 OE2 GLU A 58 13.059 1.876 4.001 1.00 0.00 O ATOM 0 H GLU A 58 12.476 -2.358 7.971 1.00 0.00 H new ATOM 0 HA GLU A 58 11.526 0.322 8.440 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.270 -0.513 6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.002 -1.332 5.887 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.826 0.923 5.623 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.220 1.684 6.363 1.00 0.00 H new ATOM 935 N LEU A 59 9.251 -1.708 7.447 1.00 0.00 N ATOM 936 CA LEU A 59 7.793 -1.779 7.125 1.00 0.00 C ATOM 937 C LEU A 59 7.001 -0.823 8.022 1.00 0.00 C ATOM 938 O LEU A 59 6.000 -0.263 7.619 1.00 0.00 O ATOM 939 CB LEU A 59 7.393 -3.229 7.410 1.00 0.00 C ATOM 940 CG LEU A 59 6.095 -3.555 6.669 1.00 0.00 C ATOM 941 CD1 LEU A 59 6.120 -5.015 6.212 1.00 0.00 C ATOM 942 CD2 LEU A 59 4.904 -3.336 7.605 1.00 0.00 C ATOM 0 H LEU A 59 9.694 -2.604 7.649 1.00 0.00 H new ATOM 0 HA LEU A 59 7.587 -1.491 6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.186 -3.906 7.091 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.259 -3.377 8.482 1.00 0.00 H new ATOM 0 HG LEU A 59 6.001 -2.903 5.800 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.195 -5.247 5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.968 -5.173 5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.215 -5.667 7.081 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.979 -3.568 7.077 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.999 -3.987 8.474 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.884 -2.296 7.932 1.00 0.00 H new ATOM 954 N LEU A 60 7.442 -0.634 9.238 1.00 0.00 N ATOM 955 CA LEU A 60 6.716 0.284 10.164 1.00 0.00 C ATOM 956 C LEU A 60 6.767 1.715 9.620 1.00 0.00 C ATOM 957 O LEU A 60 5.801 2.449 9.685 1.00 0.00 O ATOM 958 CB LEU A 60 7.471 0.182 11.496 1.00 0.00 C ATOM 959 CG LEU A 60 6.573 0.641 12.653 1.00 0.00 C ATOM 960 CD1 LEU A 60 6.176 2.107 12.458 1.00 0.00 C ATOM 961 CD2 LEU A 60 5.311 -0.226 12.701 1.00 0.00 C ATOM 0 H LEU A 60 8.274 -1.076 9.630 1.00 0.00 H new ATOM 0 HA LEU A 60 5.664 0.021 10.276 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.793 -0.846 11.662 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.371 0.796 11.460 1.00 0.00 H new ATOM 0 HG LEU A 60 7.122 0.539 13.589 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.539 2.424 13.284 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.073 2.726 12.433 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.634 2.215 11.519 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.675 0.102 13.523 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.767 -0.129 11.761 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.591 -1.268 12.853 1.00 0.00 H new ATOM 973 N ALA A 61 7.891 2.114 9.084 1.00 0.00 N ATOM 974 CA ALA A 61 8.013 3.497 8.534 1.00 0.00 C ATOM 975 C ALA A 61 6.916 3.757 7.497 1.00 0.00 C ATOM 976 O ALA A 61 6.518 4.885 7.269 1.00 0.00 O ATOM 977 CB ALA A 61 9.392 3.544 7.875 1.00 0.00 C ATOM 0 H ALA A 61 8.731 1.541 9.003 1.00 0.00 H new ATOM 0 HA ALA A 61 7.904 4.257 9.308 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.557 4.532 7.446 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.159 3.340 8.622 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.444 2.793 7.087 1.00 0.00 H new ATOM 983 N LYS A 62 6.424 2.724 6.865 1.00 0.00 N ATOM 984 CA LYS A 62 5.354 2.912 5.843 1.00 0.00 C ATOM 985 C LYS A 62 4.070 3.414 6.507 1.00 0.00 C ATOM 986 O LYS A 62 3.541 4.447 6.152 1.00 0.00 O ATOM 987 CB LYS A 62 5.132 1.525 5.236 1.00 0.00 C ATOM 988 CG LYS A 62 4.162 1.631 4.054 1.00 0.00 C ATOM 989 CD LYS A 62 3.086 0.547 4.171 1.00 0.00 C ATOM 990 CE LYS A 62 2.715 0.041 2.774 1.00 0.00 C ATOM 991 NZ LYS A 62 1.445 0.743 2.436 1.00 0.00 N ATOM 0 H LYS A 62 6.717 1.758 7.013 1.00 0.00 H new ATOM 0 HA LYS A 62 5.633 3.648 5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.082 1.106 4.904 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.731 0.847 5.989 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.698 2.617 4.039 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.704 1.519 3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.451 -0.278 4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.204 0.948 4.670 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.497 0.270 2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.582 -1.041 2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.126 0.448 1.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.717 0.501 3.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.604 1.771 2.443 1.00 0.00 H new ATOM 1005 N ALA A 63 3.566 2.683 7.467 1.00 0.00 N ATOM 1006 CA ALA A 63 2.308 3.102 8.161 1.00 0.00 C ATOM 1007 C ALA A 63 2.378 4.577 8.577 1.00 0.00 C ATOM 1008 O ALA A 63 1.380 5.272 8.598 1.00 0.00 O ATOM 1009 CB ALA A 63 2.225 2.210 9.399 1.00 0.00 C ATOM 0 H ALA A 63 3.972 1.810 7.803 1.00 0.00 H new ATOM 0 HA ALA A 63 1.437 3.000 7.514 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.326 2.455 9.965 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.187 1.165 9.092 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.103 2.373 10.024 1.00 0.00 H new ATOM 1015 N LEU A 64 3.543 5.049 8.918 1.00 0.00 N ATOM 1016 CA LEU A 64 3.679 6.473 9.342 1.00 0.00 C ATOM 1017 C LEU A 64 3.653 7.418 8.133 1.00 0.00 C ATOM 1018 O LEU A 64 2.706 8.151 7.924 1.00 0.00 O ATOM 1019 CB LEU A 64 5.034 6.548 10.049 1.00 0.00 C ATOM 1020 CG LEU A 64 4.999 5.697 11.320 1.00 0.00 C ATOM 1021 CD1 LEU A 64 6.380 5.703 11.977 1.00 0.00 C ATOM 1022 CD2 LEU A 64 3.971 6.275 12.295 1.00 0.00 C ATOM 0 H LEU A 64 4.410 4.511 8.922 1.00 0.00 H new ATOM 0 HA LEU A 64 2.856 6.780 9.988 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.822 6.194 9.384 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.268 7.583 10.299 1.00 0.00 H new ATOM 0 HG LEU A 64 4.722 4.675 11.063 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.355 5.097 12.882 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.114 5.291 11.285 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.657 6.726 12.233 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.947 5.668 13.200 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.247 7.298 12.551 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.986 6.271 11.829 1.00 0.00 H new ATOM 1034 N GLU A 65 4.706 7.426 7.359 1.00 0.00 N ATOM 1035 CA GLU A 65 4.785 8.345 6.180 1.00 0.00 C ATOM 1036 C GLU A 65 3.692 8.062 5.139 1.00 0.00 C ATOM 1037 O GLU A 65 3.368 8.917 4.339 1.00 0.00 O ATOM 1038 CB GLU A 65 6.169 8.084 5.579 1.00 0.00 C ATOM 1039 CG GLU A 65 6.546 9.227 4.635 1.00 0.00 C ATOM 1040 CD GLU A 65 5.861 9.023 3.284 1.00 0.00 C ATOM 1041 OE1 GLU A 65 6.040 7.964 2.704 1.00 0.00 O ATOM 1042 OE2 GLU A 65 5.169 9.930 2.849 1.00 0.00 O ATOM 0 H GLU A 65 5.523 6.831 7.493 1.00 0.00 H new ATOM 0 HA GLU A 65 4.636 9.382 6.483 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.910 7.996 6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.168 7.138 5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.246 10.182 5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.628 9.262 4.504 1.00 0.00 H new ATOM 1049 N THR A 66 3.127 6.882 5.124 1.00 0.00 N ATOM 1050 CA THR A 66 2.069 6.585 4.103 1.00 0.00 C ATOM 1051 C THR A 66 0.993 7.680 4.104 1.00 0.00 C ATOM 1052 O THR A 66 0.600 8.169 3.063 1.00 0.00 O ATOM 1053 CB THR A 66 1.466 5.234 4.502 1.00 0.00 C ATOM 1054 OG1 THR A 66 0.410 4.911 3.608 1.00 0.00 O ATOM 1055 CG2 THR A 66 0.921 5.304 5.927 1.00 0.00 C ATOM 0 H THR A 66 3.346 6.118 5.764 1.00 0.00 H new ATOM 0 HA THR A 66 2.485 6.553 3.096 1.00 0.00 H new ATOM 0 HB THR A 66 2.240 4.467 4.454 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.022 4.047 3.859 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.495 4.339 6.201 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.730 5.552 6.614 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.149 6.071 5.984 1.00 0.00 H new ATOM 1063 N LEU A 67 0.519 8.075 5.259 1.00 0.00 N ATOM 1064 CA LEU A 67 -0.521 9.144 5.305 1.00 0.00 C ATOM 1065 C LEU A 67 0.114 10.484 5.684 1.00 0.00 C ATOM 1066 O LEU A 67 -0.068 11.479 5.011 1.00 0.00 O ATOM 1067 CB LEU A 67 -1.502 8.692 6.388 1.00 0.00 C ATOM 1068 CG LEU A 67 -2.185 7.394 5.949 1.00 0.00 C ATOM 1069 CD1 LEU A 67 -2.420 6.501 7.169 1.00 0.00 C ATOM 1070 CD2 LEU A 67 -3.525 7.722 5.293 1.00 0.00 C ATOM 0 H LEU A 67 0.806 7.706 6.166 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.011 9.286 4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.975 8.538 7.330 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.248 9.467 6.564 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.548 6.872 5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.906 5.577 6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.464 6.267 7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.057 7.022 7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.012 6.799 4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.162 8.244 6.007 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.358 8.357 4.423 1.00 0.00 H new ATOM 1082 N LEU A 68 0.861 10.514 6.756 1.00 0.00 N ATOM 1083 CA LEU A 68 1.516 11.785 7.187 1.00 0.00 C ATOM 1084 C LEU A 68 2.952 11.505 7.638 1.00 0.00 C ATOM 1085 O LEU A 68 3.231 10.495 8.254 1.00 0.00 O ATOM 1086 CB LEU A 68 0.689 12.296 8.378 1.00 0.00 C ATOM 1087 CG LEU A 68 -0.584 13.024 7.909 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -0.255 14.006 6.780 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.615 12.002 7.422 1.00 0.00 C ATOM 0 H LEU A 68 1.047 9.709 7.355 1.00 0.00 H new ATOM 0 HA LEU A 68 1.556 12.513 6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.415 11.458 9.019 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.296 12.972 8.980 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.996 13.583 8.749 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.166 14.512 6.461 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.463 14.744 7.137 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.172 13.462 5.938 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.514 12.522 7.091 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.198 11.433 6.591 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.867 11.323 8.237 1.00 0.00 H new ATOM 1101 N LEU A 69 3.864 12.392 7.347 1.00 0.00 N ATOM 1102 CA LEU A 69 5.277 12.171 7.773 1.00 0.00 C ATOM 1103 C LEU A 69 5.470 12.659 9.211 1.00 0.00 C ATOM 1104 O LEU A 69 5.305 13.825 9.510 1.00 0.00 O ATOM 1105 CB LEU A 69 6.129 12.989 6.795 1.00 0.00 C ATOM 1106 CG LEU A 69 5.797 14.479 6.929 1.00 0.00 C ATOM 1107 CD1 LEU A 69 6.891 15.175 7.742 1.00 0.00 C ATOM 1108 CD2 LEU A 69 5.720 15.111 5.537 1.00 0.00 C ATOM 0 H LEU A 69 3.694 13.257 6.835 1.00 0.00 H new ATOM 0 HA LEU A 69 5.556 11.118 7.756 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.187 12.824 6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.944 12.657 5.773 1.00 0.00 H new ATOM 0 HG LEU A 69 4.839 14.593 7.435 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.655 16.235 7.837 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.949 14.726 8.733 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.849 15.061 7.235 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.484 16.171 5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.679 14.996 5.032 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.942 14.616 4.955 1.00 0.00 H new ATOM 1120 N ASN A 70 5.807 11.772 10.110 1.00 0.00 N ATOM 1121 CA ASN A 70 6.000 12.183 11.531 1.00 0.00 C ATOM 1122 C ASN A 70 7.222 11.482 12.127 1.00 0.00 C ATOM 1123 O ASN A 70 7.557 10.374 11.757 1.00 0.00 O ATOM 1124 CB ASN A 70 4.724 11.736 12.246 1.00 0.00 C ATOM 1125 CG ASN A 70 4.692 12.322 13.660 1.00 0.00 C ATOM 1126 OD1 ASN A 70 5.642 12.940 14.099 1.00 0.00 O ATOM 1127 ND2 ASN A 70 3.628 12.154 14.397 1.00 0.00 N ATOM 0 H ASN A 70 5.957 10.781 9.921 1.00 0.00 H new ATOM 0 HA ASN A 70 6.172 13.255 11.631 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.848 12.064 11.686 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.684 10.648 12.292 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.595 12.541 15.340 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.830 11.636 14.030 1.00 0.00 H new ATOM 1134 N GLY A 71 7.891 12.123 13.050 1.00 0.00 N ATOM 1135 CA GLY A 71 9.090 11.499 13.674 1.00 0.00 C ATOM 1136 C GLY A 71 8.647 10.501 14.747 1.00 0.00 C ATOM 1137 O GLY A 71 9.199 9.426 14.872 1.00 0.00 O ATOM 0 H GLY A 71 7.656 13.053 13.397 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.686 10.992 12.915 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.724 12.267 14.117 1.00 0.00 H new ATOM 1141 N VAL A 72 7.656 10.850 15.525 1.00 0.00 N ATOM 1142 CA VAL A 72 7.180 9.920 16.591 1.00 0.00 C ATOM 1143 C VAL A 72 5.650 9.867 16.610 1.00 0.00 C ATOM 1144 O VAL A 72 4.984 10.877 16.723 1.00 0.00 O ATOM 1145 CB VAL A 72 7.708 10.509 17.903 1.00 0.00 C ATOM 1146 CG1 VAL A 72 7.374 9.562 19.056 1.00 0.00 C ATOM 1147 CG2 VAL A 72 9.228 10.680 17.814 1.00 0.00 C ATOM 0 H VAL A 72 7.156 11.737 15.468 1.00 0.00 H new ATOM 0 HA VAL A 72 7.532 8.901 16.429 1.00 0.00 H new ATOM 0 HB VAL A 72 7.242 11.479 18.077 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.749 9.980 19.990 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.293 9.437 19.123 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.841 8.593 18.878 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.602 11.099 18.748 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.694 9.710 17.639 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.471 11.353 16.991 1.00 0.00 H new ATOM 1157 N LEU A 73 5.088 8.692 16.499 1.00 0.00 N ATOM 1158 CA LEU A 73 3.601 8.562 16.512 1.00 0.00 C ATOM 1159 C LEU A 73 3.198 7.260 17.212 1.00 0.00 C ATOM 1160 O LEU A 73 3.903 6.271 17.149 1.00 0.00 O ATOM 1161 CB LEU A 73 3.199 8.540 15.031 1.00 0.00 C ATOM 1162 CG LEU A 73 1.684 8.754 14.869 1.00 0.00 C ATOM 1163 CD1 LEU A 73 0.931 7.497 15.316 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.225 9.953 15.709 1.00 0.00 C ATOM 0 H LEU A 73 5.597 7.814 16.400 1.00 0.00 H new ATOM 0 HA LEU A 73 3.110 9.372 17.051 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.740 9.318 14.492 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.485 7.587 14.587 1.00 0.00 H new ATOM 0 HG LEU A 73 1.468 8.952 13.819 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.141 7.654 15.199 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.242 6.650 14.705 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.156 7.291 16.363 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.151 10.094 15.586 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.448 9.768 16.760 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.749 10.850 15.379 1.00 0.00 H new ATOM 1176 N THR A 74 2.075 7.253 17.881 1.00 0.00 N ATOM 1177 CA THR A 74 1.635 6.011 18.584 1.00 0.00 C ATOM 1178 C THR A 74 0.884 5.088 17.620 1.00 0.00 C ATOM 1179 O THR A 74 -0.056 5.492 16.963 1.00 0.00 O ATOM 1180 CB THR A 74 0.703 6.489 19.700 1.00 0.00 C ATOM 1181 OG1 THR A 74 -0.413 7.162 19.132 1.00 0.00 O ATOM 1182 CG2 THR A 74 1.462 7.439 20.632 1.00 0.00 C ATOM 0 H THR A 74 1.445 8.050 17.971 1.00 0.00 H new ATOM 0 HA THR A 74 2.480 5.443 18.974 1.00 0.00 H new ATOM 0 HB THR A 74 0.352 5.630 20.272 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.554 6.846 18.215 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.797 7.778 21.426 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.313 6.917 21.070 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.817 8.299 20.064 1.00 0.00 H new ATOM 1190 N LEU A 75 1.292 3.848 17.535 1.00 0.00 N ATOM 1191 CA LEU A 75 0.602 2.894 16.619 1.00 0.00 C ATOM 1192 C LEU A 75 -0.419 2.066 17.402 1.00 0.00 C ATOM 1193 O LEU A 75 -0.062 1.233 18.213 1.00 0.00 O ATOM 1194 CB LEU A 75 1.711 1.996 16.070 1.00 0.00 C ATOM 1195 CG LEU A 75 2.464 2.731 14.962 1.00 0.00 C ATOM 1196 CD1 LEU A 75 3.691 3.428 15.553 1.00 0.00 C ATOM 1197 CD2 LEU A 75 2.914 1.726 13.900 1.00 0.00 C ATOM 0 H LEU A 75 2.073 3.456 18.061 1.00 0.00 H new ATOM 0 HA LEU A 75 0.060 3.403 15.821 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.398 1.720 16.870 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.285 1.071 15.682 1.00 0.00 H new ATOM 0 HG LEU A 75 1.808 3.473 14.508 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.228 3.952 14.762 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.373 4.143 16.311 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.348 2.686 16.007 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.451 2.249 13.109 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.570 0.985 14.356 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.041 1.228 13.478 1.00 0.00 H new ATOM 1209 N VAL A 76 -1.684 2.290 17.171 1.00 0.00 N ATOM 1210 CA VAL A 76 -2.724 1.514 17.907 1.00 0.00 C ATOM 1211 C VAL A 76 -3.439 0.544 16.962 1.00 0.00 C ATOM 1212 O VAL A 76 -3.292 0.613 15.757 1.00 0.00 O ATOM 1213 CB VAL A 76 -3.701 2.561 18.449 1.00 0.00 C ATOM 1214 CG1 VAL A 76 -2.971 3.480 19.430 1.00 0.00 C ATOM 1215 CG2 VAL A 76 -4.262 3.396 17.294 1.00 0.00 C ATOM 0 H VAL A 76 -2.042 2.975 16.506 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.293 0.911 18.706 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.521 2.055 18.960 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.666 4.226 19.816 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.576 2.889 20.257 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.150 3.981 18.917 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.956 4.139 17.686 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.444 3.900 16.779 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.785 2.744 16.594 1.00 0.00 H new ATOM 1225 N LEU A 77 -4.211 -0.358 17.505 1.00 0.00 N ATOM 1226 CA LEU A 77 -4.941 -1.340 16.648 1.00 0.00 C ATOM 1227 C LEU A 77 -6.365 -1.544 17.178 1.00 0.00 C ATOM 1228 O LEU A 77 -6.567 -2.106 18.238 1.00 0.00 O ATOM 1229 CB LEU A 77 -4.137 -2.642 16.748 1.00 0.00 C ATOM 1230 CG LEU A 77 -3.942 -3.029 18.222 1.00 0.00 C ATOM 1231 CD1 LEU A 77 -4.677 -4.340 18.521 1.00 0.00 C ATOM 1232 CD2 LEU A 77 -2.446 -3.210 18.507 1.00 0.00 C ATOM 0 H LEU A 77 -4.369 -0.459 18.508 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.029 -1.000 15.616 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.657 -3.441 16.220 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.168 -2.518 16.265 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.346 -2.239 18.855 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.533 -4.607 19.568 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.741 -4.214 18.321 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.280 -5.133 17.887 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.305 -3.485 19.552 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.047 -3.998 17.868 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.921 -2.277 18.303 1.00 0.00 H new ATOM 1244 N GLU A 78 -7.349 -1.089 16.450 1.00 0.00 N ATOM 1245 CA GLU A 78 -8.761 -1.251 16.910 1.00 0.00 C ATOM 1246 C GLU A 78 -9.152 -2.733 16.951 1.00 0.00 C ATOM 1247 O GLU A 78 -10.143 -3.104 17.549 1.00 0.00 O ATOM 1248 CB GLU A 78 -9.606 -0.506 15.873 1.00 0.00 C ATOM 1249 CG GLU A 78 -11.031 -0.333 16.403 1.00 0.00 C ATOM 1250 CD GLU A 78 -11.909 0.286 15.314 1.00 0.00 C ATOM 1251 OE1 GLU A 78 -12.284 -0.433 14.403 1.00 0.00 O ATOM 1252 OE2 GLU A 78 -12.190 1.469 15.409 1.00 0.00 O ATOM 0 H GLU A 78 -7.237 -0.612 15.556 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.906 -0.861 17.917 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.165 0.468 15.661 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.621 -1.060 14.935 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.437 -1.298 16.707 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.027 0.304 17.287 1.00 0.00 H new ATOM 1259 N GLU A 79 -8.383 -3.584 16.320 1.00 0.00 N ATOM 1260 CA GLU A 79 -8.716 -5.039 16.323 1.00 0.00 C ATOM 1261 C GLU A 79 -8.850 -5.557 17.759 1.00 0.00 C ATOM 1262 O GLU A 79 -9.812 -6.213 18.105 1.00 0.00 O ATOM 1263 CB GLU A 79 -7.538 -5.717 15.618 1.00 0.00 C ATOM 1264 CG GLU A 79 -7.852 -7.199 15.407 1.00 0.00 C ATOM 1265 CD GLU A 79 -6.575 -7.937 14.998 1.00 0.00 C ATOM 1266 OE1 GLU A 79 -5.917 -7.478 14.081 1.00 0.00 O ATOM 1267 OE2 GLU A 79 -6.279 -8.950 15.612 1.00 0.00 O ATOM 0 H GLU A 79 -7.540 -3.333 15.804 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.664 -5.242 15.826 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.348 -5.235 14.659 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.632 -5.608 16.214 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.257 -7.630 16.323 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.614 -7.314 14.636 1.00 0.00 H new ATOM 1274 N ASP A 80 -7.889 -5.265 18.596 1.00 0.00 N ATOM 1275 CA ASP A 80 -7.958 -5.741 20.009 1.00 0.00 C ATOM 1276 C ASP A 80 -8.032 -4.551 20.973 1.00 0.00 C ATOM 1277 O ASP A 80 -8.480 -4.680 22.096 1.00 0.00 O ATOM 1278 CB ASP A 80 -6.666 -6.527 20.227 1.00 0.00 C ATOM 1279 CG ASP A 80 -6.793 -7.376 21.493 1.00 0.00 C ATOM 1280 OD1 ASP A 80 -7.490 -8.376 21.445 1.00 0.00 O ATOM 1281 OD2 ASP A 80 -6.190 -7.014 22.490 1.00 0.00 O ATOM 0 H ASP A 80 -7.060 -4.718 18.362 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.843 -6.350 20.193 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.467 -7.166 19.366 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.822 -5.843 20.318 1.00 0.00 H new ATOM 1286 N GLY A 81 -7.598 -3.394 20.546 1.00 0.00 N ATOM 1287 CA GLY A 81 -7.646 -2.200 21.439 1.00 0.00 C ATOM 1288 C GLY A 81 -6.346 -2.108 22.242 1.00 0.00 C ATOM 1289 O GLY A 81 -6.353 -2.126 23.457 1.00 0.00 O ATOM 0 H GLY A 81 -7.212 -3.225 19.617 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.784 -1.295 20.847 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.498 -2.272 22.114 1.00 0.00 H new ATOM 1293 N THR A 82 -5.229 -2.006 21.572 1.00 0.00 N ATOM 1294 CA THR A 82 -3.926 -1.908 22.295 1.00 0.00 C ATOM 1295 C THR A 82 -3.008 -0.899 21.597 1.00 0.00 C ATOM 1296 O THR A 82 -3.104 -0.681 20.405 1.00 0.00 O ATOM 1297 CB THR A 82 -3.328 -3.314 22.228 1.00 0.00 C ATOM 1298 OG1 THR A 82 -4.244 -4.243 22.789 1.00 0.00 O ATOM 1299 CG2 THR A 82 -2.015 -3.349 23.013 1.00 0.00 C ATOM 0 H THR A 82 -5.162 -1.986 20.554 1.00 0.00 H new ATOM 0 HA THR A 82 -4.049 -1.567 23.323 1.00 0.00 H new ATOM 0 HB THR A 82 -3.134 -3.579 21.189 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.863 -5.145 22.746 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.589 -4.351 22.965 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.313 -2.635 22.581 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.206 -3.085 24.053 1.00 0.00 H new ATOM 1307 N ALA A 83 -2.119 -0.288 22.332 1.00 0.00 N ATOM 1308 CA ALA A 83 -1.191 0.705 21.715 1.00 0.00 C ATOM 1309 C ALA A 83 0.220 0.121 21.625 1.00 0.00 C ATOM 1310 O ALA A 83 0.659 -0.602 22.497 1.00 0.00 O ATOM 1311 CB ALA A 83 -1.218 1.911 22.656 1.00 0.00 C ATOM 0 H ALA A 83 -1.994 -0.433 23.334 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.487 0.976 20.701 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.558 2.688 22.270 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.235 2.298 22.722 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.880 1.607 23.647 1.00 0.00 H new ATOM 1317 N VAL A 84 0.935 0.429 20.575 1.00 0.00 N ATOM 1318 CA VAL A 84 2.319 -0.111 20.427 1.00 0.00 C ATOM 1319 C VAL A 84 3.224 0.927 19.758 1.00 0.00 C ATOM 1320 O VAL A 84 2.764 1.811 19.062 1.00 0.00 O ATOM 1321 CB VAL A 84 2.171 -1.346 19.538 1.00 0.00 C ATOM 1322 CG1 VAL A 84 3.537 -2.009 19.350 1.00 0.00 C ATOM 1323 CG2 VAL A 84 1.212 -2.340 20.199 1.00 0.00 C ATOM 0 H VAL A 84 0.621 1.031 19.814 1.00 0.00 H new ATOM 0 HA VAL A 84 2.772 -0.354 21.388 1.00 0.00 H new ATOM 0 HB VAL A 84 1.775 -1.047 18.568 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.430 -2.889 18.716 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.222 -1.304 18.879 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.934 -2.307 20.321 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.107 -3.220 19.565 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.608 -2.637 21.170 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.237 -1.871 20.333 1.00 0.00 H new ATOM 1333 N ASP A 85 4.510 0.825 19.964 1.00 0.00 N ATOM 1334 CA ASP A 85 5.451 1.803 19.341 1.00 0.00 C ATOM 1335 C ASP A 85 6.765 1.112 18.968 1.00 0.00 C ATOM 1336 O ASP A 85 7.802 1.740 18.877 1.00 0.00 O ATOM 1337 CB ASP A 85 5.686 2.866 20.416 1.00 0.00 C ATOM 1338 CG ASP A 85 6.263 2.212 21.675 1.00 0.00 C ATOM 1339 OD1 ASP A 85 7.474 2.074 21.746 1.00 0.00 O ATOM 1340 OD2 ASP A 85 5.483 1.860 22.545 1.00 0.00 O ATOM 0 H ASP A 85 4.951 0.106 20.538 1.00 0.00 H new ATOM 0 HA ASP A 85 5.051 2.234 18.423 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.372 3.627 20.044 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.749 3.370 20.654 1.00 0.00 H new ATOM 1345 N SER A 86 6.733 -0.177 18.753 1.00 0.00 N ATOM 1346 CA SER A 86 7.983 -0.908 18.389 1.00 0.00 C ATOM 1347 C SER A 86 7.674 -2.038 17.404 1.00 0.00 C ATOM 1348 O SER A 86 6.531 -2.296 17.077 1.00 0.00 O ATOM 1349 CB SER A 86 8.505 -1.476 19.708 1.00 0.00 C ATOM 1350 OG SER A 86 7.494 -2.276 20.308 1.00 0.00 O ATOM 0 H SER A 86 5.895 -0.755 18.814 1.00 0.00 H new ATOM 0 HA SER A 86 8.712 -0.259 17.904 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.400 -2.073 19.531 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.790 -0.666 20.379 1.00 0.00 H new ATOM 0 HG SER A 86 7.826 -2.643 21.154 1.00 0.00 H new ATOM 1356 N GLU A 87 8.688 -2.713 16.927 1.00 0.00 N ATOM 1357 CA GLU A 87 8.463 -3.833 15.960 1.00 0.00 C ATOM 1358 C GLU A 87 7.539 -4.896 16.568 1.00 0.00 C ATOM 1359 O GLU A 87 6.984 -5.719 15.865 1.00 0.00 O ATOM 1360 CB GLU A 87 9.853 -4.417 15.699 1.00 0.00 C ATOM 1361 CG GLU A 87 9.754 -5.539 14.662 1.00 0.00 C ATOM 1362 CD GLU A 87 9.846 -6.897 15.361 1.00 0.00 C ATOM 1363 OE1 GLU A 87 9.098 -7.110 16.299 1.00 0.00 O ATOM 1364 OE2 GLU A 87 10.665 -7.701 14.944 1.00 0.00 O ATOM 0 H GLU A 87 9.664 -2.538 17.165 1.00 0.00 H new ATOM 0 HA GLU A 87 7.983 -3.490 15.043 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.525 -3.637 15.342 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.276 -4.802 16.627 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.813 -5.462 14.118 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.555 -5.441 13.929 1.00 0.00 H new ATOM 1371 N ASP A 88 7.372 -4.890 17.866 1.00 0.00 N ATOM 1372 CA ASP A 88 6.485 -5.905 18.515 1.00 0.00 C ATOM 1373 C ASP A 88 5.036 -5.762 18.031 1.00 0.00 C ATOM 1374 O ASP A 88 4.207 -6.611 18.292 1.00 0.00 O ATOM 1375 CB ASP A 88 6.576 -5.612 20.013 1.00 0.00 C ATOM 1376 CG ASP A 88 5.929 -6.755 20.797 1.00 0.00 C ATOM 1377 OD1 ASP A 88 4.718 -6.738 20.939 1.00 0.00 O ATOM 1378 OD2 ASP A 88 6.656 -7.629 21.242 1.00 0.00 O ATOM 0 H ASP A 88 7.811 -4.227 18.505 1.00 0.00 H new ATOM 0 HA ASP A 88 6.793 -6.922 18.272 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.619 -5.498 20.309 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.075 -4.671 20.241 1.00 0.00 H new ATOM 1383 N PHE A 89 4.722 -4.697 17.332 1.00 0.00 N ATOM 1384 CA PHE A 89 3.323 -4.502 16.837 1.00 0.00 C ATOM 1385 C PHE A 89 2.789 -5.790 16.191 1.00 0.00 C ATOM 1386 O PHE A 89 2.009 -6.510 16.782 1.00 0.00 O ATOM 1387 CB PHE A 89 3.426 -3.376 15.799 1.00 0.00 C ATOM 1388 CG PHE A 89 2.123 -3.246 15.044 1.00 0.00 C ATOM 1389 CD1 PHE A 89 0.916 -3.142 15.741 1.00 0.00 C ATOM 1390 CD2 PHE A 89 2.123 -3.233 13.647 1.00 0.00 C ATOM 1391 CE1 PHE A 89 -0.292 -3.024 15.044 1.00 0.00 C ATOM 1392 CE2 PHE A 89 0.920 -3.116 12.941 1.00 0.00 C ATOM 1393 CZ PHE A 89 -0.303 -3.009 13.635 1.00 0.00 C ATOM 0 H PHE A 89 5.375 -3.954 17.083 1.00 0.00 H new ATOM 0 HA PHE A 89 2.634 -4.255 17.644 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.664 -2.435 16.294 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.239 -3.585 15.104 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.915 -3.153 16.821 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.056 -3.314 13.109 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.221 -2.944 15.589 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.928 -3.108 11.861 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.234 -2.917 13.095 1.00 0.00 H new ATOM 1403 N PHE A 90 3.202 -6.082 14.986 1.00 0.00 N ATOM 1404 CA PHE A 90 2.713 -7.319 14.303 1.00 0.00 C ATOM 1405 C PHE A 90 2.982 -8.560 15.164 1.00 0.00 C ATOM 1406 O PHE A 90 2.344 -9.582 15.006 1.00 0.00 O ATOM 1407 CB PHE A 90 3.506 -7.393 12.997 1.00 0.00 C ATOM 1408 CG PHE A 90 2.904 -6.444 11.988 1.00 0.00 C ATOM 1409 CD1 PHE A 90 1.655 -6.720 11.427 1.00 0.00 C ATOM 1410 CD2 PHE A 90 3.598 -5.290 11.615 1.00 0.00 C ATOM 1411 CE1 PHE A 90 1.095 -5.843 10.489 1.00 0.00 C ATOM 1412 CE2 PHE A 90 3.045 -4.409 10.678 1.00 0.00 C ATOM 1413 CZ PHE A 90 1.786 -4.676 10.104 1.00 0.00 C ATOM 0 H PHE A 90 3.857 -5.518 14.444 1.00 0.00 H new ATOM 0 HA PHE A 90 1.637 -7.287 14.130 1.00 0.00 H new ATOM 0 HB2 PHE A 90 4.549 -7.135 13.178 1.00 0.00 H new ATOM 0 HB3 PHE A 90 3.492 -8.411 12.608 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.120 -7.612 11.717 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.563 -5.077 12.050 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.129 -6.062 10.059 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.587 -3.519 10.393 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.357 -3.998 9.381 1.00 0.00 H new ATOM 1423 N GLN A 91 3.921 -8.481 16.070 1.00 0.00 N ATOM 1424 CA GLN A 91 4.225 -9.660 16.934 1.00 0.00 C ATOM 1425 C GLN A 91 3.265 -9.714 18.129 1.00 0.00 C ATOM 1426 O GLN A 91 3.193 -10.705 18.830 1.00 0.00 O ATOM 1427 CB GLN A 91 5.660 -9.441 17.412 1.00 0.00 C ATOM 1428 CG GLN A 91 6.136 -10.677 18.178 1.00 0.00 C ATOM 1429 CD GLN A 91 7.606 -10.506 18.561 1.00 0.00 C ATOM 1430 OE1 GLN A 91 8.415 -10.097 17.752 1.00 0.00 O ATOM 1431 NE2 GLN A 91 7.990 -10.803 19.772 1.00 0.00 N ATOM 0 H GLN A 91 4.489 -7.653 16.249 1.00 0.00 H new ATOM 0 HA GLN A 91 4.110 -10.601 16.396 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.314 -9.254 16.560 1.00 0.00 H new ATOM 0 HB3 GLN A 91 5.711 -8.561 18.053 1.00 0.00 H new ATOM 0 HG2 GLN A 91 5.530 -10.819 19.073 1.00 0.00 H new ATOM 0 HG3 GLN A 91 6.011 -11.569 17.564 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.312 -11.146 20.452 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.968 -10.692 20.039 1.00 0.00 H new ATOM 1440 N LEU A 92 2.531 -8.660 18.369 1.00 0.00 N ATOM 1441 CA LEU A 92 1.581 -8.656 19.522 1.00 0.00 C ATOM 1442 C LEU A 92 0.219 -9.226 19.105 1.00 0.00 C ATOM 1443 O LEU A 92 -0.631 -9.483 19.933 1.00 0.00 O ATOM 1444 CB LEU A 92 1.448 -7.183 19.917 1.00 0.00 C ATOM 1445 CG LEU A 92 0.560 -7.062 21.161 1.00 0.00 C ATOM 1446 CD1 LEU A 92 1.243 -6.162 22.195 1.00 0.00 C ATOM 1447 CD2 LEU A 92 -0.788 -6.450 20.771 1.00 0.00 C ATOM 0 H LEU A 92 2.547 -7.802 17.818 1.00 0.00 H new ATOM 0 HA LEU A 92 1.937 -9.273 20.347 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.432 -6.760 20.118 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.018 -6.613 19.094 1.00 0.00 H new ATOM 0 HG LEU A 92 0.402 -8.053 21.587 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.610 -6.077 23.078 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.203 -6.595 22.477 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.403 -5.172 21.767 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.418 -6.364 21.656 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.628 -5.461 20.342 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.279 -7.089 20.036 1.00 0.00 H new ATOM 1459 N LEU A 93 0.001 -9.425 17.829 1.00 0.00 N ATOM 1460 CA LEU A 93 -1.311 -9.976 17.372 1.00 0.00 C ATOM 1461 C LEU A 93 -1.091 -11.129 16.389 1.00 0.00 C ATOM 1462 O LEU A 93 -0.028 -11.278 15.821 1.00 0.00 O ATOM 1463 CB LEU A 93 -2.015 -8.815 16.663 1.00 0.00 C ATOM 1464 CG LEU A 93 -2.026 -7.577 17.563 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -0.837 -6.682 17.208 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -3.328 -6.798 17.349 1.00 0.00 C ATOM 0 H LEU A 93 0.673 -9.230 17.086 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.897 -10.365 18.205 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.506 -8.588 15.726 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.036 -9.099 16.410 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.955 -7.886 18.606 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.842 -5.799 17.848 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.091 -7.233 17.358 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.912 -6.375 16.165 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.334 -5.917 17.991 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.400 -6.488 16.306 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.178 -7.434 17.598 1.00 0.00 H new ATOM 1478 N GLU A 94 -2.097 -11.935 16.174 1.00 0.00 N ATOM 1479 CA GLU A 94 -1.953 -13.068 15.211 1.00 0.00 C ATOM 1480 C GLU A 94 -1.737 -12.505 13.805 1.00 0.00 C ATOM 1481 O GLU A 94 -1.777 -11.308 13.600 1.00 0.00 O ATOM 1482 CB GLU A 94 -3.276 -13.833 15.291 1.00 0.00 C ATOM 1483 CG GLU A 94 -3.001 -15.340 15.263 1.00 0.00 C ATOM 1484 CD GLU A 94 -3.414 -15.914 13.906 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -3.288 -15.206 12.921 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -3.849 -17.054 13.874 1.00 0.00 O ATOM 0 H GLU A 94 -3.010 -11.859 16.622 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.106 -13.715 15.440 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.807 -13.567 16.205 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.919 -13.555 14.456 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.943 -15.530 15.442 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.553 -15.835 16.062 1.00 0.00 H new ATOM 1493 N ASP A 95 -1.498 -13.346 12.832 1.00 0.00 N ATOM 1494 CA ASP A 95 -1.274 -12.821 11.452 1.00 0.00 C ATOM 1495 C ASP A 95 -2.514 -12.062 10.969 1.00 0.00 C ATOM 1496 O ASP A 95 -3.602 -12.599 10.907 1.00 0.00 O ATOM 1497 CB ASP A 95 -1.031 -14.058 10.588 1.00 0.00 C ATOM 1498 CG ASP A 95 -0.755 -13.627 9.146 1.00 0.00 C ATOM 1499 OD1 ASP A 95 0.283 -13.027 8.916 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -1.585 -13.903 8.295 1.00 0.00 O ATOM 0 H ASP A 95 -1.449 -14.360 12.930 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.437 -12.125 11.407 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -0.186 -14.626 10.977 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.900 -14.715 10.622 1.00 0.00 H new ATOM 1505 N ASP A 96 -2.348 -10.815 10.622 1.00 0.00 N ATOM 1506 CA ASP A 96 -3.501 -10.002 10.134 1.00 0.00 C ATOM 1507 C ASP A 96 -2.986 -8.699 9.517 1.00 0.00 C ATOM 1508 O ASP A 96 -1.807 -8.405 9.573 1.00 0.00 O ATOM 1509 CB ASP A 96 -4.353 -9.718 11.374 1.00 0.00 C ATOM 1510 CG ASP A 96 -3.514 -8.995 12.432 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -2.958 -7.958 12.111 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -3.446 -9.490 13.544 1.00 0.00 O ATOM 0 H ASP A 96 -1.457 -10.320 10.656 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.079 -10.517 9.366 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.214 -9.108 11.102 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.740 -10.652 11.781 1.00 0.00 H new ATOM 1517 N THR A 97 -3.854 -7.904 8.949 1.00 0.00 N ATOM 1518 CA THR A 97 -3.392 -6.615 8.357 1.00 0.00 C ATOM 1519 C THR A 97 -4.203 -5.453 8.931 1.00 0.00 C ATOM 1520 O THR A 97 -5.332 -5.215 8.546 1.00 0.00 O ATOM 1521 CB THR A 97 -3.629 -6.742 6.849 1.00 0.00 C ATOM 1522 OG1 THR A 97 -3.649 -8.115 6.480 1.00 0.00 O ATOM 1523 CG2 THR A 97 -2.505 -6.027 6.097 1.00 0.00 C ATOM 0 H THR A 97 -4.854 -8.089 8.870 1.00 0.00 H new ATOM 0 HA THR A 97 -2.344 -6.418 8.581 1.00 0.00 H new ATOM 0 HB THR A 97 -4.586 -6.288 6.594 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.803 -8.192 5.515 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.671 -6.116 5.023 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.493 -4.973 6.376 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.548 -6.481 6.355 1.00 0.00 H new ATOM 1531 N CYS A 98 -3.626 -4.720 9.844 1.00 0.00 N ATOM 1532 CA CYS A 98 -4.339 -3.558 10.449 1.00 0.00 C ATOM 1533 C CYS A 98 -3.352 -2.409 10.654 1.00 0.00 C ATOM 1534 O CYS A 98 -2.252 -2.609 11.133 1.00 0.00 O ATOM 1535 CB CYS A 98 -4.864 -4.070 11.792 1.00 0.00 C ATOM 1536 SG CYS A 98 -6.183 -2.982 12.381 1.00 0.00 S ATOM 0 H CYS A 98 -2.683 -4.878 10.200 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.147 -3.183 9.821 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -5.239 -5.088 11.683 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.055 -4.105 12.521 1.00 0.00 H new ATOM 0 HG CYS A 98 -6.630 -3.419 13.521 1.00 0.00 H new ATOM 1542 N LEU A 99 -3.719 -1.210 10.290 1.00 0.00 N ATOM 1543 CA LEU A 99 -2.777 -0.069 10.467 1.00 0.00 C ATOM 1544 C LEU A 99 -3.515 1.193 10.921 1.00 0.00 C ATOM 1545 O LEU A 99 -4.500 1.593 10.337 1.00 0.00 O ATOM 1546 CB LEU A 99 -2.161 0.146 9.083 1.00 0.00 C ATOM 1547 CG LEU A 99 -0.848 0.920 9.220 1.00 0.00 C ATOM 1548 CD1 LEU A 99 0.331 -0.054 9.138 1.00 0.00 C ATOM 1549 CD2 LEU A 99 -0.744 1.949 8.090 1.00 0.00 C ATOM 0 H LEU A 99 -4.623 -0.973 9.881 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.029 -0.279 11.231 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.980 -0.815 8.601 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.854 0.696 8.447 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.826 1.433 10.181 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.266 0.498 9.236 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.255 -0.785 9.943 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.312 -0.568 8.177 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.191 2.501 8.186 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.766 1.437 7.128 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.583 2.642 8.151 1.00 0.00 H new ATOM 1561 N MET A 100 -3.028 1.830 11.951 1.00 0.00 N ATOM 1562 CA MET A 100 -3.680 3.079 12.437 1.00 0.00 C ATOM 1563 C MET A 100 -2.608 4.039 12.958 1.00 0.00 C ATOM 1564 O MET A 100 -1.715 3.646 13.683 1.00 0.00 O ATOM 1565 CB MET A 100 -4.610 2.635 13.568 1.00 0.00 C ATOM 1566 CG MET A 100 -5.681 3.703 13.798 1.00 0.00 C ATOM 1567 SD MET A 100 -6.679 3.257 15.242 1.00 0.00 S ATOM 1568 CE MET A 100 -7.810 2.126 14.397 1.00 0.00 C ATOM 0 H MET A 100 -2.205 1.538 12.478 1.00 0.00 H new ATOM 0 HA MET A 100 -4.231 3.600 11.654 1.00 0.00 H new ATOM 0 HB2 MET A 100 -5.078 1.684 13.315 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.038 2.476 14.482 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.213 4.675 13.952 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.316 3.792 12.917 1.00 0.00 H new ATOM 0 HE1 MET A 100 -8.833 2.330 14.714 1.00 0.00 H new ATOM 0 HE2 MET A 100 -7.729 2.269 13.319 1.00 0.00 H new ATOM 0 HE3 MET A 100 -7.550 1.097 14.647 1.00 0.00 H new ATOM 1578 N VAL A 101 -2.679 5.290 12.589 1.00 0.00 N ATOM 1579 CA VAL A 101 -1.648 6.261 13.062 1.00 0.00 C ATOM 1580 C VAL A 101 -2.308 7.566 13.519 1.00 0.00 C ATOM 1581 O VAL A 101 -2.867 8.300 12.729 1.00 0.00 O ATOM 1582 CB VAL A 101 -0.761 6.504 11.836 1.00 0.00 C ATOM 1583 CG1 VAL A 101 0.334 7.514 12.178 1.00 0.00 C ATOM 1584 CG2 VAL A 101 -0.117 5.185 11.404 1.00 0.00 C ATOM 0 H VAL A 101 -3.401 5.681 11.984 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.083 5.886 13.915 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.373 6.898 11.024 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.961 7.682 11.302 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.122 8.456 12.484 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.946 7.126 12.993 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.514 5.357 10.532 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.490 4.792 12.220 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.896 4.465 11.152 1.00 0.00 H new ATOM 1594 N LEU A 102 -2.236 7.860 14.790 1.00 0.00 N ATOM 1595 CA LEU A 102 -2.846 9.121 15.306 1.00 0.00 C ATOM 1596 C LEU A 102 -2.022 9.670 16.475 1.00 0.00 C ATOM 1597 O LEU A 102 -1.078 9.048 16.929 1.00 0.00 O ATOM 1598 CB LEU A 102 -4.261 8.742 15.763 1.00 0.00 C ATOM 1599 CG LEU A 102 -4.226 7.457 16.596 1.00 0.00 C ATOM 1600 CD1 LEU A 102 -5.377 7.473 17.602 1.00 0.00 C ATOM 1601 CD2 LEU A 102 -4.378 6.245 15.671 1.00 0.00 C ATOM 0 H LEU A 102 -1.780 7.280 15.495 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.872 9.901 14.545 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.690 9.553 16.352 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.906 8.603 14.895 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.276 7.394 17.127 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.354 6.559 18.196 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.273 8.336 18.260 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.326 7.535 17.069 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -4.353 5.330 16.263 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.328 6.309 15.141 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.561 6.233 14.950 1.00 0.00 H new ATOM 1613 N GLN A 103 -2.369 10.830 16.966 1.00 0.00 N ATOM 1614 CA GLN A 103 -1.606 11.420 18.105 1.00 0.00 C ATOM 1615 C GLN A 103 -2.105 10.840 19.431 1.00 0.00 C ATOM 1616 O GLN A 103 -3.220 10.364 19.530 1.00 0.00 O ATOM 1617 CB GLN A 103 -1.887 12.922 18.038 1.00 0.00 C ATOM 1618 CG GLN A 103 -0.930 13.665 18.973 1.00 0.00 C ATOM 1619 CD GLN A 103 -1.347 15.133 19.069 1.00 0.00 C ATOM 1620 OE1 GLN A 103 -2.517 15.452 18.994 1.00 0.00 O ATOM 1621 NE2 GLN A 103 -0.433 16.050 19.234 1.00 0.00 N ATOM 0 H GLN A 103 -3.148 11.395 16.628 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.540 11.203 18.043 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -1.764 13.280 17.016 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -2.920 13.122 18.324 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.942 13.207 19.962 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.091 13.590 18.600 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.550 15.785 19.297 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.702 17.032 19.300 1.00 0.00 H new ATOM 1630 N SER A 104 -1.288 10.874 20.449 1.00 0.00 N ATOM 1631 CA SER A 104 -1.715 10.325 21.770 1.00 0.00 C ATOM 1632 C SER A 104 -2.928 11.097 22.297 1.00 0.00 C ATOM 1633 O SER A 104 -3.287 12.136 21.779 1.00 0.00 O ATOM 1634 CB SER A 104 -0.512 10.526 22.692 1.00 0.00 C ATOM 1635 OG SER A 104 0.026 11.823 22.485 1.00 0.00 O ATOM 0 H SER A 104 -0.343 11.258 20.424 1.00 0.00 H new ATOM 0 HA SER A 104 -2.008 9.277 21.705 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.813 10.406 23.733 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.246 9.769 22.490 1.00 0.00 H new ATOM 0 HG SER A 104 0.840 11.757 21.944 1.00 0.00 H new ATOM 1641 N GLY A 105 -3.563 10.594 23.323 1.00 0.00 N ATOM 1642 CA GLY A 105 -4.752 11.294 23.885 1.00 0.00 C ATOM 1643 C GLY A 105 -5.989 10.956 23.051 1.00 0.00 C ATOM 1644 O GLY A 105 -6.890 11.760 22.905 1.00 0.00 O ATOM 0 H GLY A 105 -3.308 9.727 23.796 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.907 10.994 24.921 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.585 12.371 23.886 1.00 0.00 H new ATOM 1648 N GLN A 106 -6.040 9.774 22.500 1.00 0.00 N ATOM 1649 CA GLN A 106 -7.218 9.382 21.673 1.00 0.00 C ATOM 1650 C GLN A 106 -7.602 7.927 21.949 1.00 0.00 C ATOM 1651 O GLN A 106 -6.788 7.030 21.848 1.00 0.00 O ATOM 1652 CB GLN A 106 -6.759 9.552 20.224 1.00 0.00 C ATOM 1653 CG GLN A 106 -7.980 9.650 19.308 1.00 0.00 C ATOM 1654 CD GLN A 106 -7.565 10.253 17.965 1.00 0.00 C ATOM 1655 OE1 GLN A 106 -6.730 11.133 17.914 1.00 0.00 O ATOM 1656 NE2 GLN A 106 -8.115 9.812 16.867 1.00 0.00 N ATOM 0 H GLN A 106 -5.316 9.061 22.587 1.00 0.00 H new ATOM 0 HA GLN A 106 -8.097 9.987 21.896 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -6.147 10.449 20.128 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -6.136 8.708 19.928 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.414 8.662 19.156 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.748 10.267 19.774 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.816 9.073 16.909 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.843 10.207 15.966 1.00 0.00 H new ATOM 1665 N SER A 107 -8.838 7.687 22.296 1.00 0.00 N ATOM 1666 CA SER A 107 -9.282 6.292 22.580 1.00 0.00 C ATOM 1667 C SER A 107 -9.910 5.671 21.329 1.00 0.00 C ATOM 1668 O SER A 107 -10.070 6.323 20.317 1.00 0.00 O ATOM 1669 CB SER A 107 -10.322 6.425 23.692 1.00 0.00 C ATOM 1670 OG SER A 107 -9.852 7.349 24.664 1.00 0.00 O ATOM 0 H SER A 107 -9.561 8.399 22.395 1.00 0.00 H new ATOM 0 HA SER A 107 -8.453 5.647 22.872 1.00 0.00 H new ATOM 0 HB2 SER A 107 -11.272 6.765 23.279 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.504 5.455 24.154 1.00 0.00 H new ATOM 0 HG SER A 107 -10.517 7.439 25.378 1.00 0.00 H new