USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 35 GLN : amide:sc= -0.816 K(o=-0.82,f=-3.6!) USER MOD Single : A 41 CYS SG : rot 180:sc= -1.11 USER MOD Single : A 43 HIS : no HD1:sc= -0.0415 X(o=-0.041,f=-0.052) USER MOD Single : A 44 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.0925) USER MOD Single : A 46 THR OG1 : rot -149:sc= -3.2 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 46:sc= 0.281 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.297 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 62 LYS NZ :NH3+ 148:sc= -0.0764 (180deg=-1.9) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.52 K(o=-0.52,f=-1.5) USER MOD Single : A 74 THR OG1 : rot 31:sc= 0.4 USER MOD Single : A 82 THR OG1 : rot 133:sc= 0.127 USER MOD Single : A 86 SER OG : rot 180:sc= -0.19 USER MOD Single : A 91 GLN : amide:sc= -0.226 X(o=-0.23,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 133:sc= -1.09 (180deg=-5.21!) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0.00305 USER MOD Single : A 106 GLN : amide:sc= -3.5! C(o=-3.5!,f=-7.3!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 525 N GLN A 35 6.725 -11.296 -0.909 1.00 0.00 N ATOM 526 CA GLN A 35 5.916 -10.061 -1.133 1.00 0.00 C ATOM 527 C GLN A 35 4.424 -10.386 -1.041 1.00 0.00 C ATOM 528 O GLN A 35 3.944 -11.323 -1.652 1.00 0.00 O ATOM 529 CB GLN A 35 6.282 -9.598 -2.543 1.00 0.00 C ATOM 530 CG GLN A 35 5.706 -8.201 -2.786 1.00 0.00 C ATOM 531 CD GLN A 35 5.991 -7.776 -4.227 1.00 0.00 C ATOM 532 OE1 GLN A 35 5.126 -7.249 -4.898 1.00 0.00 O ATOM 533 NE2 GLN A 35 7.174 -7.984 -4.733 1.00 0.00 N ATOM 0 HA GLN A 35 6.119 -9.291 -0.389 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.365 -9.582 -2.663 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.890 -10.298 -3.281 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.632 -8.202 -2.601 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.148 -7.488 -2.091 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.899 -8.426 -4.169 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.374 -7.704 -5.693 1.00 0.00 H new ATOM 542 N ARG A 36 3.685 -9.621 -0.284 1.00 0.00 N ATOM 543 CA ARG A 36 2.222 -9.884 -0.152 1.00 0.00 C ATOM 544 C ARG A 36 1.455 -8.562 -0.024 1.00 0.00 C ATOM 545 O ARG A 36 1.904 -7.652 0.644 1.00 0.00 O ATOM 546 CB ARG A 36 2.087 -10.713 1.128 1.00 0.00 C ATOM 547 CG ARG A 36 0.763 -11.483 1.112 1.00 0.00 C ATOM 548 CD ARG A 36 0.778 -12.527 -0.010 1.00 0.00 C ATOM 549 NE ARG A 36 1.993 -13.354 0.241 1.00 0.00 N ATOM 550 CZ ARG A 36 1.873 -14.554 0.744 1.00 0.00 C ATOM 551 NH1 ARG A 36 1.367 -15.516 0.020 1.00 0.00 N ATOM 552 NH2 ARG A 36 2.263 -14.791 1.966 1.00 0.00 N ATOM 0 H ARG A 36 4.031 -8.824 0.250 1.00 0.00 H new ATOM 0 HA ARG A 36 1.813 -10.402 -1.019 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.922 -11.409 1.211 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.128 -10.061 2.000 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.606 -11.972 2.073 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.067 -10.792 0.966 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.125 -13.138 0.008 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.821 -12.051 -0.990 1.00 0.00 H new ATOM 0 HE ARG A 36 2.917 -12.983 0.020 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.066 -15.330 -0.937 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.273 -16.453 0.411 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.662 -14.040 2.529 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.169 -15.728 2.359 1.00 0.00 H new ATOM 566 N PRO A 37 0.319 -8.493 -0.675 1.00 0.00 N ATOM 567 CA PRO A 37 -0.507 -7.260 -0.627 1.00 0.00 C ATOM 568 C PRO A 37 -1.157 -7.103 0.751 1.00 0.00 C ATOM 569 O PRO A 37 -2.181 -7.691 1.035 1.00 0.00 O ATOM 570 CB PRO A 37 -1.564 -7.489 -1.704 1.00 0.00 C ATOM 571 CG PRO A 37 -1.658 -8.975 -1.839 1.00 0.00 C ATOM 572 CD PRO A 37 -0.301 -9.536 -1.505 1.00 0.00 C ATOM 0 HA PRO A 37 0.073 -6.352 -0.794 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.522 -7.057 -1.416 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.275 -7.024 -2.647 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.417 -9.376 -1.167 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.951 -9.252 -2.852 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.381 -10.480 -0.966 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.283 -9.730 -2.404 1.00 0.00 H new ATOM 580 N PHE A 38 -0.569 -6.305 1.605 1.00 0.00 N ATOM 581 CA PHE A 38 -1.153 -6.103 2.963 1.00 0.00 C ATOM 582 C PHE A 38 -2.214 -5.001 2.918 1.00 0.00 C ATOM 583 O PHE A 38 -1.934 -3.872 2.563 1.00 0.00 O ATOM 584 CB PHE A 38 0.025 -5.678 3.840 1.00 0.00 C ATOM 585 CG PHE A 38 0.976 -6.839 4.007 1.00 0.00 C ATOM 586 CD1 PHE A 38 0.525 -8.035 4.578 1.00 0.00 C ATOM 587 CD2 PHE A 38 2.305 -6.720 3.590 1.00 0.00 C ATOM 588 CE1 PHE A 38 1.406 -9.112 4.732 1.00 0.00 C ATOM 589 CE2 PHE A 38 3.187 -7.798 3.744 1.00 0.00 C ATOM 590 CZ PHE A 38 2.737 -8.994 4.315 1.00 0.00 C ATOM 0 H PHE A 38 0.289 -5.786 1.420 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.641 -7.000 3.344 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.543 -4.833 3.387 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.335 -5.346 4.814 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.502 -8.127 4.899 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.652 -5.797 3.149 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.058 -10.035 5.173 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.214 -7.706 3.422 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.416 -9.825 4.434 1.00 0.00 H new ATOM 600 N ARG A 39 -3.430 -5.319 3.272 1.00 0.00 N ATOM 601 CA ARG A 39 -4.509 -4.289 3.246 1.00 0.00 C ATOM 602 C ARG A 39 -4.383 -3.353 4.451 1.00 0.00 C ATOM 603 O ARG A 39 -4.579 -3.751 5.584 1.00 0.00 O ATOM 604 CB ARG A 39 -5.816 -5.079 3.317 1.00 0.00 C ATOM 605 CG ARG A 39 -6.922 -4.296 2.608 1.00 0.00 C ATOM 606 CD ARG A 39 -8.268 -4.982 2.845 1.00 0.00 C ATOM 607 NE ARG A 39 -8.388 -5.982 1.750 1.00 0.00 N ATOM 608 CZ ARG A 39 -8.978 -7.125 1.972 1.00 0.00 C ATOM 609 NH1 ARG A 39 -10.218 -7.153 2.376 1.00 0.00 N ATOM 610 NH2 ARG A 39 -8.327 -8.242 1.790 1.00 0.00 N ATOM 0 H ARG A 39 -3.723 -6.247 3.578 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.457 -3.665 2.354 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.689 -6.055 2.849 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.090 -5.257 4.357 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.953 -3.272 2.981 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.714 -4.240 1.539 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.300 -5.462 3.823 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.088 -4.264 2.816 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.009 -5.774 0.826 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.728 -6.281 2.519 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.678 -8.047 2.549 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.357 -8.222 1.474 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.788 -9.135 1.964 1.00 0.00 H new ATOM 624 N VAL A 40 -4.058 -2.110 4.210 1.00 0.00 N ATOM 625 CA VAL A 40 -3.920 -1.137 5.333 1.00 0.00 C ATOM 626 C VAL A 40 -5.169 -0.255 5.413 1.00 0.00 C ATOM 627 O VAL A 40 -5.816 0.010 4.417 1.00 0.00 O ATOM 628 CB VAL A 40 -2.688 -0.299 4.979 1.00 0.00 C ATOM 629 CG1 VAL A 40 -2.456 0.766 6.055 1.00 0.00 C ATOM 630 CG2 VAL A 40 -1.462 -1.211 4.890 1.00 0.00 C ATOM 0 H VAL A 40 -3.882 -1.726 3.282 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.812 -1.627 6.301 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.850 0.192 4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.578 1.359 5.797 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.328 1.417 6.117 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.296 0.281 7.018 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.584 -0.617 4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.304 -1.703 5.850 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.624 -1.964 4.119 1.00 0.00 H new ATOM 640 N CYS A 41 -5.516 0.200 6.588 1.00 0.00 N ATOM 641 CA CYS A 41 -6.726 1.060 6.726 1.00 0.00 C ATOM 642 C CYS A 41 -6.424 2.276 7.606 1.00 0.00 C ATOM 643 O CYS A 41 -5.554 2.241 8.454 1.00 0.00 O ATOM 644 CB CYS A 41 -7.772 0.166 7.391 1.00 0.00 C ATOM 645 SG CYS A 41 -8.202 -1.194 6.277 1.00 0.00 S ATOM 0 H CYS A 41 -5.014 0.013 7.456 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.066 1.445 5.765 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.384 -0.228 8.330 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.662 0.747 7.632 1.00 0.00 H new ATOM 0 HG CYS A 41 -9.090 -1.955 6.844 1.00 0.00 H new ATOM 651 N ASP A 42 -7.141 3.350 7.408 1.00 0.00 N ATOM 652 CA ASP A 42 -6.910 4.573 8.228 1.00 0.00 C ATOM 653 C ASP A 42 -7.828 4.559 9.455 1.00 0.00 C ATOM 654 O ASP A 42 -8.625 3.658 9.627 1.00 0.00 O ATOM 655 CB ASP A 42 -7.255 5.742 7.309 1.00 0.00 C ATOM 656 CG ASP A 42 -6.405 6.956 7.692 1.00 0.00 C ATOM 657 OD1 ASP A 42 -6.614 7.482 8.773 1.00 0.00 O ATOM 658 OD2 ASP A 42 -5.562 7.337 6.899 1.00 0.00 O ATOM 0 H ASP A 42 -7.880 3.432 6.710 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.886 4.640 8.595 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.072 5.469 6.270 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.314 5.985 7.393 1.00 0.00 H new ATOM 663 N HIS A 43 -7.703 5.541 10.316 1.00 0.00 N ATOM 664 CA HIS A 43 -8.551 5.594 11.552 1.00 0.00 C ATOM 665 C HIS A 43 -9.969 5.050 11.296 1.00 0.00 C ATOM 666 O HIS A 43 -10.232 3.884 11.520 1.00 0.00 O ATOM 667 CB HIS A 43 -8.590 7.078 11.930 1.00 0.00 C ATOM 668 CG HIS A 43 -9.406 7.261 13.180 1.00 0.00 C ATOM 669 ND1 HIS A 43 -9.197 6.496 14.317 1.00 0.00 N ATOM 670 CD2 HIS A 43 -10.434 8.118 13.489 1.00 0.00 C ATOM 671 CE1 HIS A 43 -10.079 6.904 15.248 1.00 0.00 C ATOM 672 NE2 HIS A 43 -10.857 7.891 14.796 1.00 0.00 N ATOM 0 H HIS A 43 -7.045 6.314 10.215 1.00 0.00 H new ATOM 0 HA HIS A 43 -8.143 4.972 12.349 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.578 7.450 12.087 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.020 7.660 11.115 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.851 8.856 12.820 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.149 6.484 16.241 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -11.601 8.374 15.300 1.00 0.00 H new ATOM 680 N LYS A 44 -10.888 5.867 10.838 1.00 0.00 N ATOM 681 CA LYS A 44 -12.268 5.350 10.592 1.00 0.00 C ATOM 682 C LYS A 44 -12.427 4.873 9.142 1.00 0.00 C ATOM 683 O LYS A 44 -12.544 3.693 8.880 1.00 0.00 O ATOM 684 CB LYS A 44 -13.183 6.548 10.873 1.00 0.00 C ATOM 685 CG LYS A 44 -14.628 6.208 10.489 1.00 0.00 C ATOM 686 CD LYS A 44 -15.175 5.135 11.435 1.00 0.00 C ATOM 687 CE LYS A 44 -16.421 4.497 10.817 1.00 0.00 C ATOM 688 NZ LYS A 44 -17.492 5.521 10.967 1.00 0.00 N ATOM 0 H LYS A 44 -10.744 6.855 10.627 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.503 4.491 11.220 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.132 6.815 11.929 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.843 7.416 10.308 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.248 7.103 10.541 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.667 5.853 9.459 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.416 4.374 11.617 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.421 5.577 12.400 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.258 4.247 9.769 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.685 3.571 11.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.268 5.131 11.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.104 6.363 11.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.854 5.785 10.028 1.00 0.00 H new ATOM 702 N ARG A 45 -12.436 5.782 8.201 1.00 0.00 N ATOM 703 CA ARG A 45 -12.591 5.375 6.771 1.00 0.00 C ATOM 704 C ARG A 45 -11.956 6.411 5.833 1.00 0.00 C ATOM 705 O ARG A 45 -12.251 6.447 4.654 1.00 0.00 O ATOM 706 CB ARG A 45 -14.099 5.304 6.545 1.00 0.00 C ATOM 707 CG ARG A 45 -14.400 4.326 5.407 1.00 0.00 C ATOM 708 CD ARG A 45 -15.894 4.366 5.081 1.00 0.00 C ATOM 709 NE ARG A 45 -16.087 3.321 4.037 1.00 0.00 N ATOM 710 CZ ARG A 45 -17.103 3.395 3.221 1.00 0.00 C ATOM 711 NH1 ARG A 45 -16.990 4.048 2.097 1.00 0.00 N ATOM 712 NH2 ARG A 45 -18.231 2.814 3.528 1.00 0.00 N ATOM 0 H ARG A 45 -12.343 6.785 8.360 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.096 4.427 6.563 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.599 4.981 7.458 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.488 6.293 6.301 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -13.817 4.589 4.524 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.107 3.316 5.694 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.497 4.157 5.965 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.193 5.349 4.716 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.426 2.548 3.960 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.108 4.500 1.856 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -17.784 4.106 1.459 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -18.319 2.302 4.406 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -19.025 2.872 2.890 1.00 0.00 H new ATOM 726 N THR A 46 -11.108 7.263 6.342 1.00 0.00 N ATOM 727 CA THR A 46 -10.482 8.302 5.469 1.00 0.00 C ATOM 728 C THR A 46 -9.760 7.658 4.279 1.00 0.00 C ATOM 729 O THR A 46 -9.984 8.021 3.141 1.00 0.00 O ATOM 730 CB THR A 46 -9.491 9.038 6.373 1.00 0.00 C ATOM 731 OG1 THR A 46 -8.801 8.097 7.181 1.00 0.00 O ATOM 732 CG2 THR A 46 -10.250 10.019 7.269 1.00 0.00 C ATOM 0 H THR A 46 -10.821 7.286 7.321 1.00 0.00 H new ATOM 0 HA THR A 46 -11.226 8.976 5.045 1.00 0.00 H new ATOM 0 HB THR A 46 -8.775 9.585 5.759 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.568 8.511 8.038 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.545 10.544 7.913 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.782 10.741 6.649 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.965 9.472 7.883 1.00 0.00 H new ATOM 740 N ILE A 47 -8.895 6.710 4.528 1.00 0.00 N ATOM 741 CA ILE A 47 -8.164 6.055 3.401 1.00 0.00 C ATOM 742 C ILE A 47 -8.080 4.542 3.621 1.00 0.00 C ATOM 743 O ILE A 47 -7.665 4.079 4.665 1.00 0.00 O ATOM 744 CB ILE A 47 -6.766 6.681 3.414 1.00 0.00 C ATOM 745 CG1 ILE A 47 -6.883 8.194 3.197 1.00 0.00 C ATOM 746 CG2 ILE A 47 -5.916 6.068 2.297 1.00 0.00 C ATOM 747 CD1 ILE A 47 -5.499 8.839 3.300 1.00 0.00 C ATOM 0 H ILE A 47 -8.663 6.362 5.458 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.668 6.204 2.446 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.291 6.486 4.376 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.318 8.398 2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.553 8.627 3.940 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.922 6.515 2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.832 4.992 2.453 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.388 6.259 1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.586 9.914 3.145 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.081 8.647 4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.843 8.415 2.540 1.00 0.00 H new ATOM 759 N ARG A 48 -8.466 3.768 2.640 1.00 0.00 N ATOM 760 CA ARG A 48 -8.407 2.284 2.783 1.00 0.00 C ATOM 761 C ARG A 48 -7.932 1.646 1.474 1.00 0.00 C ATOM 762 O ARG A 48 -8.703 1.447 0.556 1.00 0.00 O ATOM 763 CB ARG A 48 -9.843 1.859 3.095 1.00 0.00 C ATOM 764 CG ARG A 48 -9.884 0.348 3.346 1.00 0.00 C ATOM 765 CD ARG A 48 -11.284 -0.053 3.816 1.00 0.00 C ATOM 766 NE ARG A 48 -11.480 -1.437 3.301 1.00 0.00 N ATOM 767 CZ ARG A 48 -12.441 -1.688 2.456 1.00 0.00 C ATOM 768 NH1 ARG A 48 -12.621 -0.914 1.421 1.00 0.00 N ATOM 769 NH2 ARG A 48 -13.223 -2.716 2.643 1.00 0.00 N ATOM 0 H ARG A 48 -8.820 4.102 1.744 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.711 1.971 3.561 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.210 2.394 3.971 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.499 2.119 2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -9.627 -0.190 2.434 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.144 0.073 4.097 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.360 -0.022 4.903 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.042 0.625 3.424 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.863 -2.188 3.609 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.010 -0.111 1.272 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.373 -1.112 0.761 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -13.083 -3.323 3.450 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -13.975 -2.912 1.982 1.00 0.00 H new ATOM 783 N LYS A 49 -6.669 1.323 1.383 1.00 0.00 N ATOM 784 CA LYS A 49 -6.145 0.699 0.133 1.00 0.00 C ATOM 785 C LYS A 49 -5.137 -0.405 0.474 1.00 0.00 C ATOM 786 O LYS A 49 -4.506 -0.382 1.512 1.00 0.00 O ATOM 787 CB LYS A 49 -5.462 1.840 -0.622 1.00 0.00 C ATOM 788 CG LYS A 49 -4.884 1.314 -1.938 1.00 0.00 C ATOM 789 CD LYS A 49 -6.023 0.944 -2.890 1.00 0.00 C ATOM 790 CE LYS A 49 -5.443 0.514 -4.238 1.00 0.00 C ATOM 791 NZ LYS A 49 -5.403 1.760 -5.055 1.00 0.00 N ATOM 0 H LYS A 49 -5.978 1.464 2.120 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.933 0.234 -0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.178 2.637 -0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.668 2.270 -0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.247 2.071 -2.395 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.258 0.442 -1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.619 0.137 -2.464 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.690 1.796 -3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.447 0.086 -4.121 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.064 -0.248 -4.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.016 1.546 -5.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.366 2.141 -5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.800 2.464 -4.585 1.00 0.00 H new ATOM 805 N GLY A 50 -4.984 -1.369 -0.397 1.00 0.00 N ATOM 806 CA GLY A 50 -4.016 -2.472 -0.126 1.00 0.00 C ATOM 807 C GLY A 50 -2.955 -2.499 -1.227 1.00 0.00 C ATOM 808 O GLY A 50 -3.264 -2.483 -2.401 1.00 0.00 O ATOM 0 H GLY A 50 -5.486 -1.440 -1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.544 -2.326 0.846 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.539 -3.428 -0.086 1.00 0.00 H new ATOM 812 N LEU A 51 -1.703 -2.542 -0.853 1.00 0.00 N ATOM 813 CA LEU A 51 -0.617 -2.569 -1.877 1.00 0.00 C ATOM 814 C LEU A 51 0.394 -3.670 -1.549 1.00 0.00 C ATOM 815 O LEU A 51 0.422 -4.192 -0.451 1.00 0.00 O ATOM 816 CB LEU A 51 0.045 -1.193 -1.788 1.00 0.00 C ATOM 817 CG LEU A 51 -0.886 -0.136 -2.384 1.00 0.00 C ATOM 818 CD1 LEU A 51 -0.495 1.245 -1.855 1.00 0.00 C ATOM 819 CD2 LEU A 51 -0.760 -0.150 -3.910 1.00 0.00 C ATOM 0 H LEU A 51 -1.386 -2.560 0.116 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.999 -2.776 -2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.267 -0.952 -0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.994 -1.200 -2.324 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.915 -0.356 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.158 1.998 -2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.581 1.256 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.534 1.466 -2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.423 0.603 -4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.269 0.071 -4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.037 -1.134 -4.289 1.00 0.00 H new ATOM 831 N THR A 52 1.225 -4.025 -2.492 1.00 0.00 N ATOM 832 CA THR A 52 2.239 -5.090 -2.234 1.00 0.00 C ATOM 833 C THR A 52 3.434 -4.503 -1.481 1.00 0.00 C ATOM 834 O THR A 52 4.101 -3.605 -1.961 1.00 0.00 O ATOM 835 CB THR A 52 2.665 -5.586 -3.618 1.00 0.00 C ATOM 836 OG1 THR A 52 2.903 -4.469 -4.468 1.00 0.00 O ATOM 837 CG2 THR A 52 1.558 -6.463 -4.210 1.00 0.00 C ATOM 0 H THR A 52 1.246 -3.624 -3.430 1.00 0.00 H new ATOM 0 HA THR A 52 1.841 -5.899 -1.622 1.00 0.00 H new ATOM 0 HB THR A 52 3.579 -6.173 -3.531 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.434 -3.800 -3.988 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.861 -6.816 -5.196 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.382 -7.318 -3.557 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.641 -5.880 -4.300 1.00 0.00 H new ATOM 845 N ALA A 53 3.712 -4.999 -0.305 1.00 0.00 N ATOM 846 CA ALA A 53 4.862 -4.464 0.480 1.00 0.00 C ATOM 847 C ALA A 53 5.634 -5.604 1.147 1.00 0.00 C ATOM 848 O ALA A 53 5.055 -6.548 1.651 1.00 0.00 O ATOM 849 CB ALA A 53 4.231 -3.557 1.536 1.00 0.00 C ATOM 0 H ALA A 53 3.192 -5.752 0.146 1.00 0.00 H new ATOM 0 HA ALA A 53 5.574 -3.929 -0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.014 -3.123 2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.673 -2.760 1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.555 -4.141 2.160 1.00 0.00 H new ATOM 855 N ALA A 54 6.936 -5.520 1.156 1.00 0.00 N ATOM 856 CA ALA A 54 7.755 -6.591 1.796 1.00 0.00 C ATOM 857 C ALA A 54 8.926 -5.966 2.556 1.00 0.00 C ATOM 858 O ALA A 54 9.932 -5.602 1.977 1.00 0.00 O ATOM 859 CB ALA A 54 8.263 -7.448 0.636 1.00 0.00 C ATOM 0 H ALA A 54 7.471 -4.754 0.747 1.00 0.00 H new ATOM 0 HA ALA A 54 7.184 -7.179 2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.876 -8.261 1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.415 -7.862 0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.861 -6.833 -0.036 1.00 0.00 H new ATOM 865 N THR A 55 8.803 -5.834 3.850 1.00 0.00 N ATOM 866 CA THR A 55 9.907 -5.226 4.648 1.00 0.00 C ATOM 867 C THR A 55 9.936 -5.819 6.059 1.00 0.00 C ATOM 868 O THR A 55 8.917 -6.192 6.607 1.00 0.00 O ATOM 869 CB THR A 55 9.581 -3.733 4.696 1.00 0.00 C ATOM 870 OG1 THR A 55 9.434 -3.239 3.371 1.00 0.00 O ATOM 871 CG2 THR A 55 10.713 -2.987 5.399 1.00 0.00 C ATOM 0 H THR A 55 7.986 -6.121 4.389 1.00 0.00 H new ATOM 0 HA THR A 55 10.887 -5.416 4.210 1.00 0.00 H new ATOM 0 HB THR A 55 8.652 -3.580 5.245 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.223 -2.282 3.400 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.481 -1.923 5.433 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.824 -3.367 6.414 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.643 -3.138 4.852 1.00 0.00 H new ATOM 879 N ARG A 56 11.097 -5.916 6.648 1.00 0.00 N ATOM 880 CA ARG A 56 11.199 -6.493 8.020 1.00 0.00 C ATOM 881 C ARG A 56 11.085 -5.396 9.089 1.00 0.00 C ATOM 882 O ARG A 56 10.079 -5.272 9.757 1.00 0.00 O ATOM 883 CB ARG A 56 12.578 -7.157 8.067 1.00 0.00 C ATOM 884 CG ARG A 56 12.807 -7.772 9.449 1.00 0.00 C ATOM 885 CD ARG A 56 13.941 -8.799 9.373 1.00 0.00 C ATOM 886 NE ARG A 56 14.884 -8.414 10.459 1.00 0.00 N ATOM 887 CZ ARG A 56 14.868 -9.056 11.596 1.00 0.00 C ATOM 888 NH1 ARG A 56 14.855 -10.362 11.607 1.00 0.00 N ATOM 889 NH2 ARG A 56 14.870 -8.393 12.719 1.00 0.00 N ATOM 0 H ARG A 56 11.982 -5.620 6.237 1.00 0.00 H new ATOM 0 HA ARG A 56 10.395 -7.200 8.225 1.00 0.00 H new ATOM 0 HB2 ARG A 56 12.648 -7.928 7.299 1.00 0.00 H new ATOM 0 HB3 ARG A 56 13.354 -6.422 7.852 1.00 0.00 H new ATOM 0 HG2 ARG A 56 13.057 -6.992 10.168 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.893 -8.250 9.801 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.566 -9.812 9.517 1.00 0.00 H new ATOM 0 HD3 ARG A 56 14.430 -8.775 8.399 1.00 0.00 H new ATOM 0 HE ARG A 56 15.543 -7.649 10.315 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.857 -10.879 10.728 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.843 -10.864 12.495 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.884 -7.373 12.709 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.857 -8.894 13.607 1.00 0.00 H new ATOM 903 N GLN A 57 12.121 -4.615 9.268 1.00 0.00 N ATOM 904 CA GLN A 57 12.084 -3.543 10.310 1.00 0.00 C ATOM 905 C GLN A 57 11.550 -2.227 9.731 1.00 0.00 C ATOM 906 O GLN A 57 10.765 -1.541 10.358 1.00 0.00 O ATOM 907 CB GLN A 57 13.537 -3.377 10.751 1.00 0.00 C ATOM 908 CG GLN A 57 13.606 -2.389 11.918 1.00 0.00 C ATOM 909 CD GLN A 57 15.052 -2.276 12.407 1.00 0.00 C ATOM 910 OE1 GLN A 57 15.750 -3.266 12.507 1.00 0.00 O ATOM 911 NE2 GLN A 57 15.533 -1.103 12.715 1.00 0.00 N ATOM 0 H GLN A 57 12.990 -4.673 8.738 1.00 0.00 H new ATOM 0 HA GLN A 57 11.424 -3.806 11.136 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.949 -4.340 11.051 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.142 -3.016 9.919 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.240 -1.412 11.603 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.961 -2.724 12.731 1.00 0.00 H new ATOM 0 HE21 GLN A 57 14.946 -0.273 12.631 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.496 -1.016 13.040 1.00 0.00 H new ATOM 920 N GLU A 58 11.971 -1.865 8.550 1.00 0.00 N ATOM 921 CA GLU A 58 11.489 -0.585 7.945 1.00 0.00 C ATOM 922 C GLU A 58 10.009 -0.690 7.552 1.00 0.00 C ATOM 923 O GLU A 58 9.398 0.280 7.149 1.00 0.00 O ATOM 924 CB GLU A 58 12.366 -0.371 6.709 1.00 0.00 C ATOM 925 CG GLU A 58 11.974 0.939 6.021 1.00 0.00 C ATOM 926 CD GLU A 58 12.918 1.201 4.846 1.00 0.00 C ATOM 927 OE1 GLU A 58 14.100 1.379 5.091 1.00 0.00 O ATOM 928 OE2 GLU A 58 12.444 1.220 3.725 1.00 0.00 O ATOM 0 H GLU A 58 12.626 -2.397 7.977 1.00 0.00 H new ATOM 0 HA GLU A 58 11.562 0.248 8.645 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.417 -0.342 6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.248 -1.206 6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.944 0.883 5.668 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.023 1.764 6.732 1.00 0.00 H new ATOM 935 N LEU A 59 9.423 -1.855 7.669 1.00 0.00 N ATOM 936 CA LEU A 59 7.985 -2.013 7.307 1.00 0.00 C ATOM 937 C LEU A 59 7.124 -1.052 8.134 1.00 0.00 C ATOM 938 O LEU A 59 6.232 -0.402 7.620 1.00 0.00 O ATOM 939 CB LEU A 59 7.656 -3.466 7.650 1.00 0.00 C ATOM 940 CG LEU A 59 6.205 -3.762 7.277 1.00 0.00 C ATOM 941 CD1 LEU A 59 6.124 -4.129 5.794 1.00 0.00 C ATOM 942 CD2 LEU A 59 5.689 -4.929 8.119 1.00 0.00 C ATOM 0 H LEU A 59 9.881 -2.704 8.000 1.00 0.00 H new ATOM 0 HA LEU A 59 7.790 -1.787 6.259 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.325 -4.138 7.113 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.813 -3.644 8.714 1.00 0.00 H new ATOM 0 HG LEU A 59 5.595 -2.879 7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.088 -4.340 5.528 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.491 -3.297 5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.735 -5.011 5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.653 -5.140 7.853 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.299 -5.812 7.930 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.746 -4.668 9.176 1.00 0.00 H new ATOM 954 N LEU A 60 7.386 -0.955 9.411 1.00 0.00 N ATOM 955 CA LEU A 60 6.586 -0.032 10.270 1.00 0.00 C ATOM 956 C LEU A 60 6.681 1.399 9.734 1.00 0.00 C ATOM 957 O LEU A 60 5.709 2.128 9.711 1.00 0.00 O ATOM 958 CB LEU A 60 7.220 -0.130 11.659 1.00 0.00 C ATOM 959 CG LEU A 60 6.248 0.424 12.702 1.00 0.00 C ATOM 960 CD1 LEU A 60 5.439 -0.725 13.308 1.00 0.00 C ATOM 961 CD2 LEU A 60 7.036 1.130 13.809 1.00 0.00 C ATOM 0 H LEU A 60 8.118 -1.474 9.896 1.00 0.00 H new ATOM 0 HA LEU A 60 5.529 -0.296 10.288 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.463 -1.168 11.887 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.155 0.429 11.684 1.00 0.00 H new ATOM 0 HG LEU A 60 5.571 1.134 12.226 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.746 -0.330 14.051 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.878 -1.230 12.521 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.116 -1.435 13.784 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.344 1.525 14.553 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.712 0.419 14.284 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.613 1.949 13.379 1.00 0.00 H new ATOM 973 N ALA A 61 7.848 1.800 9.298 1.00 0.00 N ATOM 974 CA ALA A 61 8.011 3.181 8.757 1.00 0.00 C ATOM 975 C ALA A 61 7.007 3.427 7.627 1.00 0.00 C ATOM 976 O ALA A 61 6.599 4.546 7.376 1.00 0.00 O ATOM 977 CB ALA A 61 9.443 3.232 8.223 1.00 0.00 C ATOM 0 H ALA A 61 8.694 1.230 9.294 1.00 0.00 H new ATOM 0 HA ALA A 61 7.832 3.945 9.514 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.641 4.220 7.807 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.142 3.034 9.036 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.568 2.479 7.445 1.00 0.00 H new ATOM 983 N LYS A 62 6.605 2.388 6.942 1.00 0.00 N ATOM 984 CA LYS A 62 5.623 2.558 5.830 1.00 0.00 C ATOM 985 C LYS A 62 4.302 3.105 6.373 1.00 0.00 C ATOM 986 O LYS A 62 3.737 4.034 5.834 1.00 0.00 O ATOM 987 CB LYS A 62 5.421 1.155 5.254 1.00 0.00 C ATOM 988 CG LYS A 62 4.553 1.237 3.992 1.00 0.00 C ATOM 989 CD LYS A 62 3.408 0.222 4.086 1.00 0.00 C ATOM 990 CE LYS A 62 2.527 0.323 2.838 1.00 0.00 C ATOM 991 NZ LYS A 62 3.363 -0.215 1.730 1.00 0.00 N ATOM 0 H LYS A 62 6.914 1.430 7.104 1.00 0.00 H new ATOM 0 HA LYS A 62 5.976 3.261 5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.385 0.706 5.016 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.945 0.512 5.994 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.151 2.244 3.880 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.159 1.036 3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.810 -0.787 4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.813 0.412 4.979 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.609 -0.253 2.955 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.233 1.355 2.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.752 -0.680 1.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.881 0.564 1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.041 -0.906 2.110 1.00 0.00 H new ATOM 1005 N ALA A 63 3.807 2.528 7.440 1.00 0.00 N ATOM 1006 CA ALA A 63 2.516 3.004 8.031 1.00 0.00 C ATOM 1007 C ALA A 63 2.525 4.527 8.198 1.00 0.00 C ATOM 1008 O ALA A 63 1.533 5.193 7.973 1.00 0.00 O ATOM 1009 CB ALA A 63 2.434 2.325 9.398 1.00 0.00 C ATOM 0 H ALA A 63 4.242 1.746 7.929 1.00 0.00 H new ATOM 0 HA ALA A 63 1.665 2.762 7.395 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.512 2.623 9.898 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.442 1.243 9.268 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.289 2.624 10.005 1.00 0.00 H new ATOM 1015 N LEU A 64 3.633 5.080 8.603 1.00 0.00 N ATOM 1016 CA LEU A 64 3.712 6.557 8.794 1.00 0.00 C ATOM 1017 C LEU A 64 3.857 7.282 7.447 1.00 0.00 C ATOM 1018 O LEU A 64 2.967 7.975 6.999 1.00 0.00 O ATOM 1019 CB LEU A 64 4.956 6.778 9.656 1.00 0.00 C ATOM 1020 CG LEU A 64 4.751 6.126 11.024 1.00 0.00 C ATOM 1021 CD1 LEU A 64 6.042 6.232 11.839 1.00 0.00 C ATOM 1022 CD2 LEU A 64 3.622 6.845 11.767 1.00 0.00 C ATOM 0 H LEU A 64 4.492 4.571 8.811 1.00 0.00 H new ATOM 0 HA LEU A 64 2.809 6.952 9.260 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.831 6.352 9.166 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.145 7.845 9.774 1.00 0.00 H new ATOM 0 HG LEU A 64 4.490 5.076 10.890 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.896 5.767 12.814 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.848 5.722 11.311 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.303 7.282 11.973 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.475 6.381 12.742 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.885 7.894 11.900 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.701 6.772 11.188 1.00 0.00 H new ATOM 1034 N GLU A 65 4.998 7.144 6.821 1.00 0.00 N ATOM 1035 CA GLU A 65 5.253 7.840 5.521 1.00 0.00 C ATOM 1036 C GLU A 65 4.165 7.556 4.476 1.00 0.00 C ATOM 1037 O GLU A 65 3.902 8.379 3.622 1.00 0.00 O ATOM 1038 CB GLU A 65 6.596 7.288 5.044 1.00 0.00 C ATOM 1039 CG GLU A 65 7.177 8.213 3.973 1.00 0.00 C ATOM 1040 CD GLU A 65 6.496 7.931 2.631 1.00 0.00 C ATOM 1041 OE1 GLU A 65 6.468 6.777 2.235 1.00 0.00 O ATOM 1042 OE2 GLU A 65 6.012 8.872 2.024 1.00 0.00 O ATOM 0 H GLU A 65 5.773 6.573 7.158 1.00 0.00 H new ATOM 0 HA GLU A 65 5.253 8.922 5.654 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.287 7.207 5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.466 6.284 4.641 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.028 9.255 4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.252 8.057 3.887 1.00 0.00 H new ATOM 1049 N THR A 66 3.544 6.405 4.512 1.00 0.00 N ATOM 1050 CA THR A 66 2.495 6.100 3.486 1.00 0.00 C ATOM 1051 C THR A 66 1.454 7.228 3.414 1.00 0.00 C ATOM 1052 O THR A 66 1.100 7.680 2.343 1.00 0.00 O ATOM 1053 CB THR A 66 1.848 4.782 3.924 1.00 0.00 C ATOM 1054 OG1 THR A 66 0.825 4.434 3.001 1.00 0.00 O ATOM 1055 CG2 THR A 66 1.243 4.936 5.316 1.00 0.00 C ATOM 0 H THR A 66 3.713 5.669 5.198 1.00 0.00 H new ATOM 0 HA THR A 66 2.927 6.016 2.489 1.00 0.00 H new ATOM 0 HB THR A 66 2.606 3.999 3.949 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.409 3.590 3.276 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.785 3.995 5.620 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.026 5.204 6.025 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.485 5.719 5.299 1.00 0.00 H new ATOM 1063 N LEU A 67 0.967 7.691 4.537 1.00 0.00 N ATOM 1064 CA LEU A 67 -0.039 8.792 4.508 1.00 0.00 C ATOM 1065 C LEU A 67 0.627 10.131 4.838 1.00 0.00 C ATOM 1066 O LEU A 67 0.494 11.096 4.112 1.00 0.00 O ATOM 1067 CB LEU A 67 -1.065 8.424 5.581 1.00 0.00 C ATOM 1068 CG LEU A 67 -1.766 7.118 5.194 1.00 0.00 C ATOM 1069 CD1 LEU A 67 -2.017 6.279 6.449 1.00 0.00 C ATOM 1070 CD2 LEU A 67 -3.104 7.436 4.524 1.00 0.00 C ATOM 0 H LEU A 67 1.221 7.356 5.466 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.499 8.901 3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.572 8.312 6.547 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.798 9.224 5.688 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.134 6.561 4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.516 5.350 6.172 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.066 6.051 6.930 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.648 6.838 7.140 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.603 6.507 4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.734 7.995 5.216 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.930 8.033 3.629 1.00 0.00 H new ATOM 1082 N LEU A 68 1.346 10.194 5.929 1.00 0.00 N ATOM 1083 CA LEU A 68 2.025 11.469 6.304 1.00 0.00 C ATOM 1084 C LEU A 68 3.350 11.180 7.019 1.00 0.00 C ATOM 1085 O LEU A 68 3.458 10.248 7.789 1.00 0.00 O ATOM 1086 CB LEU A 68 1.050 12.176 7.249 1.00 0.00 C ATOM 1087 CG LEU A 68 -0.038 12.875 6.432 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -1.059 13.506 7.378 1.00 0.00 C ATOM 1089 CD2 LEU A 68 0.597 13.969 5.568 1.00 0.00 C ATOM 0 H LEU A 68 1.492 9.418 6.575 1.00 0.00 H new ATOM 0 HA LEU A 68 2.263 12.078 5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.600 11.454 7.931 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.583 12.903 7.861 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.536 12.147 5.792 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.835 14.004 6.796 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.511 12.730 7.996 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.561 14.235 8.018 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.177 14.468 4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.094 14.697 6.210 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.327 13.522 4.893 1.00 0.00 H new ATOM 1101 N LEU A 69 4.353 11.981 6.776 1.00 0.00 N ATOM 1102 CA LEU A 69 5.665 11.757 7.452 1.00 0.00 C ATOM 1103 C LEU A 69 5.712 12.528 8.775 1.00 0.00 C ATOM 1104 O LEU A 69 5.492 13.724 8.816 1.00 0.00 O ATOM 1105 CB LEU A 69 6.718 12.285 6.470 1.00 0.00 C ATOM 1106 CG LEU A 69 6.565 13.801 6.300 1.00 0.00 C ATOM 1107 CD1 LEU A 69 7.559 14.523 7.211 1.00 0.00 C ATOM 1108 CD2 LEU A 69 6.845 14.178 4.843 1.00 0.00 C ATOM 0 H LEU A 69 4.321 12.778 6.141 1.00 0.00 H new ATOM 0 HA LEU A 69 5.835 10.708 7.693 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.718 12.051 6.836 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.608 11.790 5.505 1.00 0.00 H new ATOM 0 HG LEU A 69 5.550 14.095 6.567 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.448 15.600 7.089 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.363 14.254 8.249 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.575 14.230 6.946 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.737 15.255 4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.860 13.882 4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.137 13.665 4.192 1.00 0.00 H new ATOM 1120 N ASN A 70 5.992 11.855 9.858 1.00 0.00 N ATOM 1121 CA ASN A 70 6.048 12.551 11.177 1.00 0.00 C ATOM 1122 C ASN A 70 7.255 12.065 11.983 1.00 0.00 C ATOM 1123 O ASN A 70 7.819 11.025 11.708 1.00 0.00 O ATOM 1124 CB ASN A 70 4.744 12.172 11.881 1.00 0.00 C ATOM 1125 CG ASN A 70 4.383 13.250 12.904 1.00 0.00 C ATOM 1126 OD1 ASN A 70 4.548 14.428 12.649 1.00 0.00 O ATOM 1127 ND2 ASN A 70 3.894 12.898 14.062 1.00 0.00 N ATOM 0 H ASN A 70 6.184 10.854 9.887 1.00 0.00 H new ATOM 0 HA ASN A 70 6.154 13.630 11.069 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.942 12.066 11.151 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.853 11.207 12.377 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.651 13.610 14.751 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.755 11.911 14.278 1.00 0.00 H new ATOM 1134 N GLY A 71 7.652 12.811 12.981 1.00 0.00 N ATOM 1135 CA GLY A 71 8.822 12.395 13.807 1.00 0.00 C ATOM 1136 C GLY A 71 8.353 11.450 14.916 1.00 0.00 C ATOM 1137 O GLY A 71 9.033 10.507 15.269 1.00 0.00 O ATOM 0 H GLY A 71 7.216 13.690 13.259 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.564 11.899 13.182 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.304 13.271 14.241 1.00 0.00 H new ATOM 1141 N VAL A 72 7.194 11.698 15.466 1.00 0.00 N ATOM 1142 CA VAL A 72 6.676 10.814 16.553 1.00 0.00 C ATOM 1143 C VAL A 72 5.201 10.485 16.308 1.00 0.00 C ATOM 1144 O VAL A 72 4.387 11.364 16.099 1.00 0.00 O ATOM 1145 CB VAL A 72 6.838 11.623 17.841 1.00 0.00 C ATOM 1146 CG1 VAL A 72 6.432 10.758 19.038 1.00 0.00 C ATOM 1147 CG2 VAL A 72 8.300 12.049 18.001 1.00 0.00 C ATOM 0 H VAL A 72 6.583 12.474 15.210 1.00 0.00 H new ATOM 0 HA VAL A 72 7.211 9.865 16.601 1.00 0.00 H new ATOM 0 HB VAL A 72 6.204 12.508 17.793 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.547 11.332 19.957 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.392 10.451 18.929 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.068 9.874 19.081 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.413 12.625 18.919 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.934 11.164 18.048 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.596 12.662 17.150 1.00 0.00 H new ATOM 1157 N LEU A 73 4.851 9.227 16.332 1.00 0.00 N ATOM 1158 CA LEU A 73 3.432 8.838 16.101 1.00 0.00 C ATOM 1159 C LEU A 73 3.060 7.652 16.996 1.00 0.00 C ATOM 1160 O LEU A 73 3.854 6.759 17.221 1.00 0.00 O ATOM 1161 CB LEU A 73 3.368 8.442 14.620 1.00 0.00 C ATOM 1162 CG LEU A 73 1.909 8.337 14.143 1.00 0.00 C ATOM 1163 CD1 LEU A 73 1.243 7.107 14.767 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.133 9.597 14.542 1.00 0.00 C ATOM 0 H LEU A 73 5.490 8.450 16.502 1.00 0.00 H new ATOM 0 HA LEU A 73 2.735 9.642 16.336 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.899 9.180 14.019 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.873 7.487 14.472 1.00 0.00 H new ATOM 0 HG LEU A 73 1.901 8.240 13.057 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.210 7.039 14.425 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.784 6.209 14.468 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.260 7.196 15.853 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.102 9.513 14.200 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.148 9.705 15.627 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.597 10.470 14.084 1.00 0.00 H new ATOM 1176 N THR A 74 1.857 7.639 17.505 1.00 0.00 N ATOM 1177 CA THR A 74 1.430 6.512 18.384 1.00 0.00 C ATOM 1178 C THR A 74 0.665 5.467 17.566 1.00 0.00 C ATOM 1179 O THR A 74 -0.361 5.752 16.980 1.00 0.00 O ATOM 1180 CB THR A 74 0.514 7.151 19.429 1.00 0.00 C ATOM 1181 OG1 THR A 74 -0.464 7.948 18.775 1.00 0.00 O ATOM 1182 CG2 THR A 74 1.343 8.025 20.370 1.00 0.00 C ATOM 0 H THR A 74 1.152 8.360 17.350 1.00 0.00 H new ATOM 0 HA THR A 74 2.276 6.000 18.843 1.00 0.00 H new ATOM 0 HB THR A 74 0.019 6.370 20.006 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.669 7.560 17.899 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.689 8.480 21.114 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.092 7.412 20.871 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.840 8.808 19.797 1.00 0.00 H new ATOM 1190 N LEU A 75 1.158 4.256 17.527 1.00 0.00 N ATOM 1191 CA LEU A 75 0.460 3.187 16.754 1.00 0.00 C ATOM 1192 C LEU A 75 -0.506 2.427 17.667 1.00 0.00 C ATOM 1193 O LEU A 75 -0.183 2.105 18.793 1.00 0.00 O ATOM 1194 CB LEU A 75 1.572 2.258 16.264 1.00 0.00 C ATOM 1195 CG LEU A 75 2.236 2.859 15.026 1.00 0.00 C ATOM 1196 CD1 LEU A 75 3.711 2.456 14.991 1.00 0.00 C ATOM 1197 CD2 LEU A 75 1.536 2.334 13.769 1.00 0.00 C ATOM 0 H LEU A 75 2.014 3.962 17.997 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.126 3.590 15.928 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.312 2.113 17.051 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.161 1.276 16.028 1.00 0.00 H new ATOM 0 HG LEU A 75 2.157 3.946 15.062 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.184 2.885 14.108 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.211 2.826 15.886 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.791 1.370 14.954 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.008 2.761 12.884 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.617 1.248 13.734 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.484 2.619 13.792 1.00 0.00 H new ATOM 1209 N VAL A 76 -1.687 2.140 17.190 1.00 0.00 N ATOM 1210 CA VAL A 76 -2.671 1.403 18.035 1.00 0.00 C ATOM 1211 C VAL A 76 -3.504 0.448 17.178 1.00 0.00 C ATOM 1212 O VAL A 76 -3.475 0.496 15.962 1.00 0.00 O ATOM 1213 CB VAL A 76 -3.560 2.481 18.655 1.00 0.00 C ATOM 1214 CG1 VAL A 76 -2.719 3.367 19.578 1.00 0.00 C ATOM 1215 CG2 VAL A 76 -4.176 3.342 17.547 1.00 0.00 C ATOM 0 H VAL A 76 -2.013 2.383 16.254 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.179 0.797 18.795 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.356 2.006 19.229 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.352 4.136 20.020 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.282 2.757 20.369 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.923 3.839 19.003 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.809 4.109 17.992 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.382 3.816 16.971 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.776 2.713 16.889 1.00 0.00 H new ATOM 1225 N LEU A 77 -4.246 -0.421 17.809 1.00 0.00 N ATOM 1226 CA LEU A 77 -5.087 -1.391 17.050 1.00 0.00 C ATOM 1227 C LEU A 77 -6.441 -1.564 17.748 1.00 0.00 C ATOM 1228 O LEU A 77 -6.511 -1.949 18.898 1.00 0.00 O ATOM 1229 CB LEU A 77 -4.301 -2.706 17.073 1.00 0.00 C ATOM 1230 CG LEU A 77 -3.945 -3.075 18.521 1.00 0.00 C ATOM 1231 CD1 LEU A 77 -4.531 -4.449 18.868 1.00 0.00 C ATOM 1232 CD2 LEU A 77 -2.422 -3.116 18.674 1.00 0.00 C ATOM 0 H LEU A 77 -4.306 -0.501 18.824 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.288 -1.058 16.032 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.893 -3.502 16.620 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.392 -2.607 16.479 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.362 -2.328 19.196 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.275 -4.705 19.896 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.615 -4.420 18.761 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.120 -5.201 18.194 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.166 -3.378 19.701 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.008 -3.862 17.996 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.006 -2.137 18.435 1.00 0.00 H new ATOM 1244 N GLU A 78 -7.515 -1.279 17.062 1.00 0.00 N ATOM 1245 CA GLU A 78 -8.864 -1.422 17.690 1.00 0.00 C ATOM 1246 C GLU A 78 -9.216 -2.903 17.881 1.00 0.00 C ATOM 1247 O GLU A 78 -10.135 -3.239 18.602 1.00 0.00 O ATOM 1248 CB GLU A 78 -9.832 -0.762 16.706 1.00 0.00 C ATOM 1249 CG GLU A 78 -11.242 -0.764 17.302 1.00 0.00 C ATOM 1250 CD GLU A 78 -12.220 -0.153 16.296 1.00 0.00 C ATOM 1251 OE1 GLU A 78 -12.192 -0.564 15.147 1.00 0.00 O ATOM 1252 OE2 GLU A 78 -12.980 0.713 16.690 1.00 0.00 O ATOM 0 H GLU A 78 -7.519 -0.954 16.095 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.906 -0.961 18.677 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.515 0.260 16.497 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.825 -1.298 15.757 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.544 -1.782 17.547 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.257 -0.195 18.232 1.00 0.00 H new ATOM 1259 N GLU A 79 -8.499 -3.790 17.240 1.00 0.00 N ATOM 1260 CA GLU A 79 -8.803 -5.247 17.385 1.00 0.00 C ATOM 1261 C GLU A 79 -8.765 -5.661 18.862 1.00 0.00 C ATOM 1262 O GLU A 79 -9.785 -5.946 19.459 1.00 0.00 O ATOM 1263 CB GLU A 79 -7.702 -5.962 16.595 1.00 0.00 C ATOM 1264 CG GLU A 79 -7.903 -7.477 16.690 1.00 0.00 C ATOM 1265 CD GLU A 79 -6.662 -8.191 16.151 1.00 0.00 C ATOM 1266 OE1 GLU A 79 -6.310 -7.946 15.010 1.00 0.00 O ATOM 1267 OE2 GLU A 79 -6.085 -8.972 16.889 1.00 0.00 O ATOM 0 H GLU A 79 -7.717 -3.570 16.623 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.798 -5.497 17.017 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.726 -5.647 15.552 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.723 -5.690 16.988 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.081 -7.767 17.726 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.783 -7.774 16.120 1.00 0.00 H new ATOM 1274 N ASP A 80 -7.600 -5.703 19.450 1.00 0.00 N ATOM 1275 CA ASP A 80 -7.500 -6.106 20.885 1.00 0.00 C ATOM 1276 C ASP A 80 -7.623 -4.882 21.795 1.00 0.00 C ATOM 1277 O ASP A 80 -8.047 -4.981 22.931 1.00 0.00 O ATOM 1278 CB ASP A 80 -6.115 -6.738 21.022 1.00 0.00 C ATOM 1279 CG ASP A 80 -5.961 -7.333 22.424 1.00 0.00 C ATOM 1280 OD1 ASP A 80 -6.870 -8.022 22.856 1.00 0.00 O ATOM 1281 OD2 ASP A 80 -4.937 -7.089 23.040 1.00 0.00 O ATOM 0 H ASP A 80 -6.713 -5.476 19.000 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.295 -6.793 21.174 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.982 -7.515 20.269 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.343 -5.989 20.847 1.00 0.00 H new ATOM 1286 N GLY A 81 -7.257 -3.726 21.308 1.00 0.00 N ATOM 1287 CA GLY A 81 -7.352 -2.497 22.145 1.00 0.00 C ATOM 1288 C GLY A 81 -6.047 -2.294 22.914 1.00 0.00 C ATOM 1289 O GLY A 81 -6.038 -2.206 24.126 1.00 0.00 O ATOM 0 H GLY A 81 -6.896 -3.581 20.365 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.552 -1.631 21.514 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.186 -2.584 22.842 1.00 0.00 H new ATOM 1293 N THR A 82 -4.942 -2.217 22.221 1.00 0.00 N ATOM 1294 CA THR A 82 -3.635 -2.017 22.916 1.00 0.00 C ATOM 1295 C THR A 82 -2.754 -1.048 22.121 1.00 0.00 C ATOM 1296 O THR A 82 -2.830 -0.976 20.911 1.00 0.00 O ATOM 1297 CB THR A 82 -2.994 -3.405 22.965 1.00 0.00 C ATOM 1298 OG1 THR A 82 -3.854 -4.296 23.663 1.00 0.00 O ATOM 1299 CG2 THR A 82 -1.647 -3.323 23.685 1.00 0.00 C ATOM 0 H THR A 82 -4.887 -2.284 21.205 1.00 0.00 H new ATOM 0 HA THR A 82 -3.759 -1.590 23.911 1.00 0.00 H new ATOM 0 HB THR A 82 -2.837 -3.770 21.950 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.950 -5.126 23.151 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.192 -4.313 23.719 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.989 -2.639 23.149 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.799 -2.959 24.701 1.00 0.00 H new ATOM 1307 N ALA A 83 -1.918 -0.305 22.797 1.00 0.00 N ATOM 1308 CA ALA A 83 -1.027 0.657 22.086 1.00 0.00 C ATOM 1309 C ALA A 83 0.239 -0.054 21.604 1.00 0.00 C ATOM 1310 O ALA A 83 0.602 -1.099 22.108 1.00 0.00 O ATOM 1311 CB ALA A 83 -0.683 1.722 23.128 1.00 0.00 C ATOM 0 H ALA A 83 -1.814 -0.323 23.812 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.502 1.089 21.205 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.028 2.470 22.681 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.599 2.202 23.474 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.177 1.254 23.973 1.00 0.00 H new ATOM 1317 N VAL A 84 0.910 0.500 20.631 1.00 0.00 N ATOM 1318 CA VAL A 84 2.151 -0.150 20.118 1.00 0.00 C ATOM 1319 C VAL A 84 3.175 0.910 19.701 1.00 0.00 C ATOM 1320 O VAL A 84 2.830 1.961 19.201 1.00 0.00 O ATOM 1321 CB VAL A 84 1.701 -0.963 18.902 1.00 0.00 C ATOM 1322 CG1 VAL A 84 2.899 -1.706 18.304 1.00 0.00 C ATOM 1323 CG2 VAL A 84 0.635 -1.975 19.333 1.00 0.00 C ATOM 0 H VAL A 84 0.654 1.373 20.170 1.00 0.00 H new ATOM 0 HA VAL A 84 2.629 -0.773 20.874 1.00 0.00 H new ATOM 0 HB VAL A 84 1.285 -0.290 18.152 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.574 -2.283 17.439 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.657 -0.986 17.996 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.320 -2.378 19.051 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.313 -2.555 18.468 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.052 -2.645 20.085 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.220 -1.446 19.754 1.00 0.00 H new ATOM 1333 N ASP A 85 4.437 0.632 19.901 1.00 0.00 N ATOM 1334 CA ASP A 85 5.493 1.613 19.513 1.00 0.00 C ATOM 1335 C ASP A 85 6.743 0.879 19.019 1.00 0.00 C ATOM 1336 O ASP A 85 7.819 1.444 18.952 1.00 0.00 O ATOM 1337 CB ASP A 85 5.795 2.400 20.792 1.00 0.00 C ATOM 1338 CG ASP A 85 6.263 1.441 21.889 1.00 0.00 C ATOM 1339 OD1 ASP A 85 7.411 1.031 21.840 1.00 0.00 O ATOM 1340 OD2 ASP A 85 5.466 1.133 22.761 1.00 0.00 O ATOM 0 H ASP A 85 4.782 -0.233 20.317 1.00 0.00 H new ATOM 0 HA ASP A 85 5.172 2.267 18.702 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.563 3.148 20.597 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.904 2.936 21.120 1.00 0.00 H new ATOM 1345 N SER A 86 6.614 -0.377 18.677 1.00 0.00 N ATOM 1346 CA SER A 86 7.795 -1.149 18.192 1.00 0.00 C ATOM 1347 C SER A 86 7.370 -2.153 17.117 1.00 0.00 C ATOM 1348 O SER A 86 6.201 -2.299 16.818 1.00 0.00 O ATOM 1349 CB SER A 86 8.325 -1.879 19.426 1.00 0.00 C ATOM 1350 OG SER A 86 9.472 -2.636 19.066 1.00 0.00 O ATOM 0 H SER A 86 5.740 -0.901 18.713 1.00 0.00 H new ATOM 0 HA SER A 86 8.551 -0.505 17.742 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.579 -1.162 20.206 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.555 -2.535 19.834 1.00 0.00 H new ATOM 0 HG SER A 86 9.816 -3.104 19.855 1.00 0.00 H new ATOM 1356 N GLU A 87 8.314 -2.846 16.537 1.00 0.00 N ATOM 1357 CA GLU A 87 7.974 -3.846 15.477 1.00 0.00 C ATOM 1358 C GLU A 87 7.126 -4.987 16.059 1.00 0.00 C ATOM 1359 O GLU A 87 6.583 -5.794 15.333 1.00 0.00 O ATOM 1360 CB GLU A 87 9.324 -4.378 14.991 1.00 0.00 C ATOM 1361 CG GLU A 87 9.105 -5.333 13.814 1.00 0.00 C ATOM 1362 CD GLU A 87 9.177 -6.779 14.308 1.00 0.00 C ATOM 1363 OE1 GLU A 87 10.250 -7.194 14.709 1.00 0.00 O ATOM 1364 OE2 GLU A 87 8.156 -7.447 14.273 1.00 0.00 O ATOM 0 H GLU A 87 9.308 -2.764 16.751 1.00 0.00 H new ATOM 0 HA GLU A 87 7.390 -3.403 14.670 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.964 -3.550 14.687 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.836 -4.896 15.802 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.135 -5.143 13.354 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.861 -5.162 13.048 1.00 0.00 H new ATOM 1371 N ASP A 88 7.010 -5.059 17.361 1.00 0.00 N ATOM 1372 CA ASP A 88 6.195 -6.148 17.984 1.00 0.00 C ATOM 1373 C ASP A 88 4.721 -6.037 17.576 1.00 0.00 C ATOM 1374 O ASP A 88 3.934 -6.924 17.843 1.00 0.00 O ATOM 1375 CB ASP A 88 6.348 -5.937 19.493 1.00 0.00 C ATOM 1376 CG ASP A 88 5.624 -7.057 20.241 1.00 0.00 C ATOM 1377 OD1 ASP A 88 5.955 -8.208 20.010 1.00 0.00 O ATOM 1378 OD2 ASP A 88 4.749 -6.747 21.033 1.00 0.00 O ATOM 0 H ASP A 88 7.444 -4.412 18.020 1.00 0.00 H new ATOM 0 HA ASP A 88 6.528 -7.136 17.665 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.404 -5.927 19.764 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.937 -4.969 19.779 1.00 0.00 H new ATOM 1383 N PHE A 89 4.336 -4.954 16.940 1.00 0.00 N ATOM 1384 CA PHE A 89 2.908 -4.779 16.517 1.00 0.00 C ATOM 1385 C PHE A 89 2.337 -6.085 15.946 1.00 0.00 C ATOM 1386 O PHE A 89 1.506 -6.726 16.557 1.00 0.00 O ATOM 1387 CB PHE A 89 2.949 -3.694 15.439 1.00 0.00 C ATOM 1388 CG PHE A 89 1.561 -3.471 14.886 1.00 0.00 C ATOM 1389 CD1 PHE A 89 0.709 -2.542 15.487 1.00 0.00 C ATOM 1390 CD2 PHE A 89 1.128 -4.196 13.774 1.00 0.00 C ATOM 1391 CE1 PHE A 89 -0.578 -2.333 14.977 1.00 0.00 C ATOM 1392 CE2 PHE A 89 -0.156 -3.996 13.256 1.00 0.00 C ATOM 1393 CZ PHE A 89 -1.026 -3.060 13.855 1.00 0.00 C ATOM 0 H PHE A 89 4.953 -4.180 16.695 1.00 0.00 H new ATOM 0 HA PHE A 89 2.267 -4.507 17.355 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.337 -2.766 15.859 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.627 -3.989 14.638 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.044 -1.983 16.348 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.788 -4.915 13.311 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.231 -1.611 15.445 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.483 -4.560 12.395 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.019 -2.903 13.460 1.00 0.00 H new ATOM 1403 N PHE A 90 2.773 -6.477 14.779 1.00 0.00 N ATOM 1404 CA PHE A 90 2.250 -7.737 14.167 1.00 0.00 C ATOM 1405 C PHE A 90 2.504 -8.931 15.093 1.00 0.00 C ATOM 1406 O PHE A 90 1.793 -9.915 15.056 1.00 0.00 O ATOM 1407 CB PHE A 90 3.029 -7.896 12.862 1.00 0.00 C ATOM 1408 CG PHE A 90 2.505 -6.914 11.841 1.00 0.00 C ATOM 1409 CD1 PHE A 90 1.264 -7.129 11.239 1.00 0.00 C ATOM 1410 CD2 PHE A 90 3.261 -5.791 11.501 1.00 0.00 C ATOM 1411 CE1 PHE A 90 0.773 -6.221 10.292 1.00 0.00 C ATOM 1412 CE2 PHE A 90 2.781 -4.876 10.555 1.00 0.00 C ATOM 1413 CZ PHE A 90 1.528 -5.082 9.941 1.00 0.00 C ATOM 0 H PHE A 90 3.468 -5.981 14.222 1.00 0.00 H new ATOM 0 HA PHE A 90 1.174 -7.694 13.999 1.00 0.00 H new ATOM 0 HB2 PHE A 90 4.091 -7.724 13.037 1.00 0.00 H new ATOM 0 HB3 PHE A 90 2.929 -8.915 12.488 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.681 -7.998 11.504 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.220 -5.627 11.969 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.187 -6.394 9.829 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.372 -4.010 10.295 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.152 -4.378 9.213 1.00 0.00 H new ATOM 1423 N GLN A 91 3.511 -8.850 15.920 1.00 0.00 N ATOM 1424 CA GLN A 91 3.810 -9.980 16.847 1.00 0.00 C ATOM 1425 C GLN A 91 2.848 -9.965 18.042 1.00 0.00 C ATOM 1426 O GLN A 91 2.797 -10.902 18.817 1.00 0.00 O ATOM 1427 CB GLN A 91 5.246 -9.739 17.314 1.00 0.00 C ATOM 1428 CG GLN A 91 5.741 -10.953 18.109 1.00 0.00 C ATOM 1429 CD GLN A 91 6.663 -11.801 17.232 1.00 0.00 C ATOM 1430 OE1 GLN A 91 7.761 -12.134 17.628 1.00 0.00 O ATOM 1431 NE2 GLN A 91 6.258 -12.170 16.047 1.00 0.00 N ATOM 0 H GLN A 91 4.140 -8.050 15.994 1.00 0.00 H new ATOM 0 HA GLN A 91 3.693 -10.949 16.362 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.894 -9.566 16.455 1.00 0.00 H new ATOM 0 HB3 GLN A 91 5.292 -8.843 17.933 1.00 0.00 H new ATOM 0 HG2 GLN A 91 6.273 -10.623 19.001 1.00 0.00 H new ATOM 0 HG3 GLN A 91 4.893 -11.550 18.446 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.335 -11.891 15.713 1.00 0.00 H new ATOM 0 HE22 GLN A 91 6.864 -12.738 15.455 1.00 0.00 H new ATOM 1440 N LEU A 92 2.090 -8.913 18.201 1.00 0.00 N ATOM 1441 CA LEU A 92 1.136 -8.842 19.349 1.00 0.00 C ATOM 1442 C LEU A 92 -0.223 -9.434 18.959 1.00 0.00 C ATOM 1443 O LEU A 92 -1.002 -9.825 19.805 1.00 0.00 O ATOM 1444 CB LEU A 92 1.003 -7.351 19.658 1.00 0.00 C ATOM 1445 CG LEU A 92 0.380 -7.167 21.044 1.00 0.00 C ATOM 1446 CD1 LEU A 92 1.484 -6.929 22.075 1.00 0.00 C ATOM 1447 CD2 LEU A 92 -0.564 -5.960 21.023 1.00 0.00 C ATOM 0 H LEU A 92 2.089 -8.099 17.586 1.00 0.00 H new ATOM 0 HA LEU A 92 1.488 -9.410 20.210 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.982 -6.873 19.622 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.384 -6.867 18.903 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.179 -8.064 21.311 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.039 -6.798 23.061 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.157 -7.786 22.092 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.044 -6.033 21.808 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.008 -5.828 22.010 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.004 -5.064 20.755 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.353 -6.128 20.290 1.00 0.00 H new ATOM 1459 N LEU A 93 -0.516 -9.504 17.685 1.00 0.00 N ATOM 1460 CA LEU A 93 -1.830 -10.071 17.250 1.00 0.00 C ATOM 1461 C LEU A 93 -1.610 -11.233 16.276 1.00 0.00 C ATOM 1462 O LEU A 93 -0.535 -11.408 15.738 1.00 0.00 O ATOM 1463 CB LEU A 93 -2.563 -8.924 16.539 1.00 0.00 C ATOM 1464 CG LEU A 93 -2.374 -7.614 17.310 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -1.234 -6.811 16.678 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -3.665 -6.790 17.245 1.00 0.00 C ATOM 0 H LEU A 93 0.095 -9.194 16.929 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.400 -10.456 18.096 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.183 -8.814 15.523 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.625 -9.157 16.458 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.134 -7.838 18.349 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.099 -5.878 17.226 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.313 -7.393 16.719 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.478 -6.589 15.639 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.530 -5.858 17.794 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.903 -6.567 16.205 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.482 -7.358 17.690 1.00 0.00 H new ATOM 1478 N GLU A 94 -2.627 -12.020 16.037 1.00 0.00 N ATOM 1479 CA GLU A 94 -2.478 -13.162 15.084 1.00 0.00 C ATOM 1480 C GLU A 94 -2.202 -12.618 13.683 1.00 0.00 C ATOM 1481 O GLU A 94 -2.204 -11.420 13.469 1.00 0.00 O ATOM 1482 CB GLU A 94 -3.817 -13.898 15.125 1.00 0.00 C ATOM 1483 CG GLU A 94 -3.826 -14.881 16.298 1.00 0.00 C ATOM 1484 CD GLU A 94 -3.788 -14.103 17.615 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -4.845 -13.703 18.075 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -2.703 -13.923 18.142 1.00 0.00 O ATOM 0 H GLU A 94 -3.551 -11.923 16.458 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.653 -13.824 15.346 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.633 -13.183 15.230 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.979 -14.432 14.189 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.719 -15.505 16.257 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.967 -15.549 16.233 1.00 0.00 H new ATOM 1493 N ASP A 95 -1.954 -13.469 12.724 1.00 0.00 N ATOM 1494 CA ASP A 95 -1.672 -12.959 11.349 1.00 0.00 C ATOM 1495 C ASP A 95 -2.887 -12.198 10.812 1.00 0.00 C ATOM 1496 O ASP A 95 -3.970 -12.735 10.689 1.00 0.00 O ATOM 1497 CB ASP A 95 -1.400 -14.206 10.507 1.00 0.00 C ATOM 1498 CG ASP A 95 -1.074 -13.792 9.070 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -0.218 -12.941 8.898 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -1.687 -14.335 8.166 1.00 0.00 O ATOM 0 H ASP A 95 -1.934 -14.483 12.829 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.829 -12.268 11.329 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -0.569 -14.770 10.931 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -2.270 -14.862 10.519 1.00 0.00 H new ATOM 1505 N ASP A 96 -2.700 -10.951 10.483 1.00 0.00 N ATOM 1506 CA ASP A 96 -3.820 -10.130 9.940 1.00 0.00 C ATOM 1507 C ASP A 96 -3.265 -8.815 9.390 1.00 0.00 C ATOM 1508 O ASP A 96 -2.092 -8.526 9.532 1.00 0.00 O ATOM 1509 CB ASP A 96 -4.752 -9.872 11.130 1.00 0.00 C ATOM 1510 CG ASP A 96 -3.976 -9.194 12.263 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -3.375 -8.162 12.011 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -3.999 -9.717 13.365 1.00 0.00 O ATOM 0 H ASP A 96 -1.810 -10.460 10.568 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.348 -10.628 9.126 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.585 -9.241 10.820 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.177 -10.812 11.481 1.00 0.00 H new ATOM 1517 N THR A 97 -4.090 -8.003 8.786 1.00 0.00 N ATOM 1518 CA THR A 97 -3.582 -6.703 8.265 1.00 0.00 C ATOM 1519 C THR A 97 -4.422 -5.555 8.827 1.00 0.00 C ATOM 1520 O THR A 97 -5.516 -5.287 8.371 1.00 0.00 O ATOM 1521 CB THR A 97 -3.726 -6.782 6.743 1.00 0.00 C ATOM 1522 OG1 THR A 97 -3.708 -8.143 6.332 1.00 0.00 O ATOM 1523 CG2 THR A 97 -2.562 -6.035 6.090 1.00 0.00 C ATOM 0 H THR A 97 -5.083 -8.181 8.632 1.00 0.00 H new ATOM 0 HA THR A 97 -2.548 -6.521 8.556 1.00 0.00 H new ATOM 0 HB THR A 97 -4.670 -6.328 6.440 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.802 -8.192 5.358 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.659 -6.087 5.006 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.576 -4.992 6.406 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.620 -6.493 6.393 1.00 0.00 H new ATOM 1531 N CYS A 98 -3.904 -4.870 9.810 1.00 0.00 N ATOM 1532 CA CYS A 98 -4.647 -3.726 10.410 1.00 0.00 C ATOM 1533 C CYS A 98 -3.663 -2.605 10.748 1.00 0.00 C ATOM 1534 O CYS A 98 -2.613 -2.848 11.309 1.00 0.00 O ATOM 1535 CB CYS A 98 -5.284 -4.286 11.682 1.00 0.00 C ATOM 1536 SG CYS A 98 -6.503 -3.108 12.316 1.00 0.00 S ATOM 0 H CYS A 98 -2.991 -5.056 10.226 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.397 -3.311 9.737 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -5.762 -5.242 11.471 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.517 -4.472 12.434 1.00 0.00 H new ATOM 0 HG CYS A 98 -7.046 -3.585 13.396 1.00 0.00 H new ATOM 1542 N LEU A 99 -3.982 -1.387 10.409 1.00 0.00 N ATOM 1543 CA LEU A 99 -3.040 -0.275 10.719 1.00 0.00 C ATOM 1544 C LEU A 99 -3.799 0.980 11.157 1.00 0.00 C ATOM 1545 O LEU A 99 -4.832 1.316 10.616 1.00 0.00 O ATOM 1546 CB LEU A 99 -2.294 -0.019 9.411 1.00 0.00 C ATOM 1547 CG LEU A 99 -1.007 0.760 9.699 1.00 0.00 C ATOM 1548 CD1 LEU A 99 0.100 0.290 8.751 1.00 0.00 C ATOM 1549 CD2 LEU A 99 -1.261 2.255 9.494 1.00 0.00 C ATOM 0 H LEU A 99 -4.844 -1.115 9.936 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.367 -0.529 11.538 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.057 -0.965 8.924 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.926 0.544 8.724 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.697 0.583 10.729 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.015 0.845 8.957 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.280 -0.775 8.901 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.206 0.465 7.719 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.346 2.811 9.699 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.572 2.433 8.465 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.047 2.587 10.173 1.00 0.00 H new ATOM 1561 N MET A 100 -3.275 1.681 12.124 1.00 0.00 N ATOM 1562 CA MET A 100 -3.939 2.926 12.595 1.00 0.00 C ATOM 1563 C MET A 100 -2.873 3.943 13.008 1.00 0.00 C ATOM 1564 O MET A 100 -1.929 3.613 13.701 1.00 0.00 O ATOM 1565 CB MET A 100 -4.779 2.503 13.799 1.00 0.00 C ATOM 1566 CG MET A 100 -5.872 3.544 14.052 1.00 0.00 C ATOM 1567 SD MET A 100 -7.358 2.723 14.683 1.00 0.00 S ATOM 1568 CE MET A 100 -7.280 3.366 16.372 1.00 0.00 C ATOM 0 H MET A 100 -2.411 1.443 12.610 1.00 0.00 H new ATOM 0 HA MET A 100 -4.555 3.392 11.826 1.00 0.00 H new ATOM 0 HB2 MET A 100 -5.228 1.526 13.617 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.146 2.404 14.681 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.522 4.287 14.769 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.102 4.076 13.129 1.00 0.00 H new ATOM 0 HE1 MET A 100 -8.263 3.735 16.667 1.00 0.00 H new ATOM 0 HE2 MET A 100 -6.972 2.570 17.050 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.558 4.181 16.418 1.00 0.00 H new ATOM 1578 N VAL A 101 -3.010 5.172 12.592 1.00 0.00 N ATOM 1579 CA VAL A 101 -1.994 6.198 12.965 1.00 0.00 C ATOM 1580 C VAL A 101 -2.687 7.508 13.350 1.00 0.00 C ATOM 1581 O VAL A 101 -3.286 8.172 12.527 1.00 0.00 O ATOM 1582 CB VAL A 101 -1.146 6.378 11.702 1.00 0.00 C ATOM 1583 CG1 VAL A 101 -0.167 7.544 11.887 1.00 0.00 C ATOM 1584 CG2 VAL A 101 -0.361 5.091 11.434 1.00 0.00 C ATOM 0 H VAL A 101 -3.778 5.510 12.012 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.390 5.901 13.822 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.801 6.595 10.858 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.431 7.664 10.984 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.725 8.461 12.077 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.490 7.337 12.732 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.244 5.214 10.536 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.289 4.878 12.283 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.056 4.264 11.292 1.00 0.00 H new ATOM 1594 N LEU A 102 -2.604 7.881 14.599 1.00 0.00 N ATOM 1595 CA LEU A 102 -3.248 9.149 15.046 1.00 0.00 C ATOM 1596 C LEU A 102 -2.430 9.785 16.172 1.00 0.00 C ATOM 1597 O LEU A 102 -1.464 9.217 16.645 1.00 0.00 O ATOM 1598 CB LEU A 102 -4.643 8.743 15.537 1.00 0.00 C ATOM 1599 CG LEU A 102 -4.531 7.666 16.620 1.00 0.00 C ATOM 1600 CD1 LEU A 102 -5.784 7.702 17.495 1.00 0.00 C ATOM 1601 CD2 LEU A 102 -4.415 6.286 15.965 1.00 0.00 C ATOM 0 H LEU A 102 -2.117 7.361 15.329 1.00 0.00 H new ATOM 0 HA LEU A 102 -3.308 9.888 14.247 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.165 9.614 15.933 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.236 8.369 14.702 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.647 7.854 17.229 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.710 6.937 18.268 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.873 8.683 17.962 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.663 7.512 16.879 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -4.335 5.522 16.738 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.300 6.096 15.357 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.527 6.257 15.333 1.00 0.00 H new ATOM 1613 N GLN A 103 -2.809 10.956 16.608 1.00 0.00 N ATOM 1614 CA GLN A 103 -2.052 11.624 17.707 1.00 0.00 C ATOM 1615 C GLN A 103 -2.485 11.056 19.063 1.00 0.00 C ATOM 1616 O GLN A 103 -3.546 10.481 19.193 1.00 0.00 O ATOM 1617 CB GLN A 103 -2.417 13.104 17.604 1.00 0.00 C ATOM 1618 CG GLN A 103 -1.503 13.922 18.519 1.00 0.00 C ATOM 1619 CD GLN A 103 -1.934 15.389 18.495 1.00 0.00 C ATOM 1620 OE1 GLN A 103 -1.473 16.157 17.673 1.00 0.00 O ATOM 1621 NE2 GLN A 103 -2.804 15.816 19.369 1.00 0.00 N ATOM 0 H GLN A 103 -3.609 11.479 16.252 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.977 11.467 17.622 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.315 13.443 16.573 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.459 13.253 17.887 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.550 13.535 19.537 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.467 13.831 18.191 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -3.191 15.173 20.059 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.097 16.793 19.362 1.00 0.00 H new ATOM 1630 N SER A 104 -1.666 11.211 20.069 1.00 0.00 N ATOM 1631 CA SER A 104 -2.030 10.678 21.417 1.00 0.00 C ATOM 1632 C SER A 104 -3.216 11.456 21.991 1.00 0.00 C ATOM 1633 O SER A 104 -3.666 12.431 21.421 1.00 0.00 O ATOM 1634 CB SER A 104 -0.785 10.889 22.277 1.00 0.00 C ATOM 1635 OG SER A 104 -0.429 12.264 22.259 1.00 0.00 O ATOM 0 H SER A 104 -0.763 11.682 20.017 1.00 0.00 H new ATOM 0 HA SER A 104 -2.326 9.630 21.379 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.976 10.565 23.300 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.039 10.283 21.899 1.00 0.00 H new ATOM 0 HG SER A 104 0.369 12.403 22.811 1.00 0.00 H new ATOM 1641 N GLY A 105 -3.725 11.033 23.118 1.00 0.00 N ATOM 1642 CA GLY A 105 -4.881 11.746 23.732 1.00 0.00 C ATOM 1643 C GLY A 105 -6.190 11.145 23.216 1.00 0.00 C ATOM 1644 O GLY A 105 -7.194 11.821 23.113 1.00 0.00 O ATOM 0 H GLY A 105 -3.389 10.223 23.640 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.836 11.665 24.818 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.836 12.808 23.489 1.00 0.00 H new ATOM 1648 N GLN A 106 -6.185 9.880 22.891 1.00 0.00 N ATOM 1649 CA GLN A 106 -7.430 9.236 22.383 1.00 0.00 C ATOM 1650 C GLN A 106 -7.577 7.830 22.971 1.00 0.00 C ATOM 1651 O GLN A 106 -6.607 7.194 23.334 1.00 0.00 O ATOM 1652 CB GLN A 106 -7.251 9.168 20.865 1.00 0.00 C ATOM 1653 CG GLN A 106 -8.584 8.807 20.207 1.00 0.00 C ATOM 1654 CD GLN A 106 -8.559 9.216 18.732 1.00 0.00 C ATOM 1655 OE1 GLN A 106 -7.548 9.662 18.226 1.00 0.00 O ATOM 1656 NE2 GLN A 106 -9.642 9.082 18.014 1.00 0.00 N ATOM 0 H GLN A 106 -5.373 9.266 22.955 1.00 0.00 H new ATOM 0 HA GLN A 106 -8.325 9.791 22.663 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -6.895 10.127 20.487 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -6.495 8.425 20.611 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.765 7.736 20.294 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.402 9.312 20.720 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.491 8.708 18.437 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.638 9.351 17.030 1.00 0.00 H new ATOM 1665 N SER A 107 -8.786 7.343 23.071 1.00 0.00 N ATOM 1666 CA SER A 107 -9.000 5.981 23.640 1.00 0.00 C ATOM 1667 C SER A 107 -9.864 5.141 22.695 1.00 0.00 C ATOM 1668 O SER A 107 -10.352 5.624 21.693 1.00 0.00 O ATOM 1669 CB SER A 107 -9.725 6.216 24.964 1.00 0.00 C ATOM 1670 OG SER A 107 -8.928 7.053 25.793 1.00 0.00 O ATOM 0 H SER A 107 -9.634 7.830 22.783 1.00 0.00 H new ATOM 0 HA SER A 107 -8.064 5.439 23.778 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.695 6.680 24.784 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.914 5.265 25.462 1.00 0.00 H new ATOM 0 HG SER A 107 -9.391 7.207 26.643 1.00 0.00 H new