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 Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 CYS SG : rot 20:sc= 0.00966 USER MOD Single : A 43 HIS : no HD1:sc= -0.0488 X(o=-0.049,f=-0.17) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 143:sc= -3.84! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 24:sc= 0.453 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.744 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -107:sc= -0.272 (180deg=-1.62) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.955 K(o=-0.95,f=-9.8!) USER MOD Single : A 74 THR OG1 : rot 36:sc= 0.231 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0301 USER MOD Single : A 86 SER OG : rot 180:sc= -0.225 USER MOD Single : A 91 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.4) 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 -173:sc= -3.26! (180deg=-3.58!) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.581 K(o=-0.58,f=-4.9!) USER MOD Single : A 107 SER OG : rot 180:sc= -0.0791 USER MOD ----------------------------------------------------------------- ATOM 525 N GLN A 35 6.880 -10.844 -1.723 1.00 0.00 N ATOM 526 CA GLN A 35 5.971 -9.702 -1.401 1.00 0.00 C ATOM 527 C GLN A 35 4.558 -10.216 -1.115 1.00 0.00 C ATOM 528 O GLN A 35 4.134 -11.223 -1.647 1.00 0.00 O ATOM 529 CB GLN A 35 5.978 -8.821 -2.651 1.00 0.00 C ATOM 530 CG GLN A 35 5.384 -7.453 -2.316 1.00 0.00 C ATOM 531 CD GLN A 35 5.694 -6.468 -3.446 1.00 0.00 C ATOM 532 OE1 GLN A 35 6.227 -5.404 -3.209 1.00 0.00 O ATOM 533 NE2 GLN A 35 5.378 -6.783 -4.674 1.00 0.00 N ATOM 0 HA GLN A 35 6.296 -9.154 -0.516 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.997 -8.706 -3.022 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.401 -9.295 -3.446 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.306 -7.537 -2.179 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.797 -7.086 -1.376 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.930 -7.678 -4.872 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.579 -6.134 -5.435 1.00 0.00 H new ATOM 542 N ARG A 36 3.827 -9.531 -0.276 1.00 0.00 N ATOM 543 CA ARG A 36 2.441 -9.974 0.048 1.00 0.00 C ATOM 544 C ARG A 36 1.505 -8.761 0.109 1.00 0.00 C ATOM 545 O ARG A 36 1.884 -7.717 0.599 1.00 0.00 O ATOM 546 CB ARG A 36 2.556 -10.643 1.421 1.00 0.00 C ATOM 547 CG ARG A 36 1.281 -11.436 1.719 1.00 0.00 C ATOM 548 CD ARG A 36 1.252 -12.705 0.864 1.00 0.00 C ATOM 549 NE ARG A 36 -0.186 -13.079 0.782 1.00 0.00 N ATOM 550 CZ ARG A 36 -0.625 -13.765 -0.239 1.00 0.00 C ATOM 551 NH1 ARG A 36 0.071 -14.770 -0.695 1.00 0.00 N ATOM 552 NH2 ARG A 36 -1.758 -13.446 -0.801 1.00 0.00 N ATOM 0 H ARG A 36 4.132 -8.682 0.200 1.00 0.00 H new ATOM 0 HA ARG A 36 2.030 -10.652 -0.700 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.421 -11.306 1.441 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.715 -9.888 2.191 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.242 -11.697 2.777 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.403 -10.824 1.510 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.670 -12.524 -0.126 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.842 -13.501 1.318 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.829 -12.800 1.523 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.957 -15.019 -0.254 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.270 -15.307 -1.492 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.301 -12.661 -0.443 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.101 -13.982 -1.598 1.00 0.00 H new ATOM 566 N PRO A 37 0.308 -8.931 -0.399 1.00 0.00 N ATOM 567 CA PRO A 37 -0.678 -7.821 -0.402 1.00 0.00 C ATOM 568 C PRO A 37 -1.182 -7.532 1.016 1.00 0.00 C ATOM 569 O PRO A 37 -2.034 -8.226 1.537 1.00 0.00 O ATOM 570 CB PRO A 37 -1.809 -8.348 -1.286 1.00 0.00 C ATOM 571 CG PRO A 37 -1.696 -9.835 -1.207 1.00 0.00 C ATOM 572 CD PRO A 37 -0.237 -10.152 -1.011 1.00 0.00 C ATOM 0 HA PRO A 37 -0.258 -6.883 -0.765 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.781 -8.006 -0.930 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.704 -7.998 -2.313 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.290 -10.224 -0.380 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.073 -10.300 -2.118 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.099 -11.019 -0.365 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.254 -10.379 -1.957 1.00 0.00 H new ATOM 580 N PHE A 38 -0.666 -6.504 1.636 1.00 0.00 N ATOM 581 CA PHE A 38 -1.116 -6.154 3.017 1.00 0.00 C ATOM 582 C PHE A 38 -2.187 -5.063 2.966 1.00 0.00 C ATOM 583 O PHE A 38 -1.971 -3.991 2.436 1.00 0.00 O ATOM 584 CB PHE A 38 0.139 -5.635 3.731 1.00 0.00 C ATOM 585 CG PHE A 38 0.992 -6.788 4.227 1.00 0.00 C ATOM 586 CD1 PHE A 38 0.780 -8.097 3.767 1.00 0.00 C ATOM 587 CD2 PHE A 38 2.008 -6.537 5.160 1.00 0.00 C ATOM 588 CE1 PHE A 38 1.576 -9.144 4.240 1.00 0.00 C ATOM 589 CE2 PHE A 38 2.805 -7.586 5.631 1.00 0.00 C ATOM 590 CZ PHE A 38 2.590 -8.889 5.171 1.00 0.00 C ATOM 0 H PHE A 38 0.049 -5.890 1.246 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.554 -7.009 3.532 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.720 -5.014 3.049 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.150 -5.003 4.571 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.000 -8.296 3.046 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.176 -5.531 5.516 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.409 -10.151 3.887 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.586 -7.389 6.350 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.206 -9.698 5.534 1.00 0.00 H new ATOM 600 N ARG A 39 -3.342 -5.326 3.518 1.00 0.00 N ATOM 601 CA ARG A 39 -4.428 -4.301 3.506 1.00 0.00 C ATOM 602 C ARG A 39 -4.259 -3.342 4.687 1.00 0.00 C ATOM 603 O ARG A 39 -4.325 -3.739 5.835 1.00 0.00 O ATOM 604 CB ARG A 39 -5.726 -5.097 3.642 1.00 0.00 C ATOM 605 CG ARG A 39 -6.914 -4.202 3.288 1.00 0.00 C ATOM 606 CD ARG A 39 -8.178 -5.056 3.155 1.00 0.00 C ATOM 607 NE ARG A 39 -8.371 -5.229 1.689 1.00 0.00 N ATOM 608 CZ ARG A 39 -8.149 -6.388 1.134 1.00 0.00 C ATOM 609 NH1 ARG A 39 -9.033 -7.342 1.240 1.00 0.00 N ATOM 610 NH2 ARG A 39 -7.044 -6.593 0.471 1.00 0.00 N ATOM 0 H ARG A 39 -3.581 -6.205 3.976 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.416 -3.695 2.600 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.703 -5.966 2.984 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.830 -5.471 4.660 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.054 -3.444 4.059 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.719 -3.674 2.354 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.059 -6.018 3.654 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.037 -4.564 3.611 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.677 -4.441 1.119 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.897 -7.181 1.757 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.860 -8.249 0.806 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.354 -5.847 0.387 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.870 -7.500 0.037 1.00 0.00 H new ATOM 624 N VAL A 40 -4.040 -2.083 4.411 1.00 0.00 N ATOM 625 CA VAL A 40 -3.866 -1.092 5.514 1.00 0.00 C ATOM 626 C VAL A 40 -5.024 -0.093 5.504 1.00 0.00 C ATOM 627 O VAL A 40 -5.543 0.259 4.463 1.00 0.00 O ATOM 628 CB VAL A 40 -2.542 -0.387 5.210 1.00 0.00 C ATOM 629 CG1 VAL A 40 -2.243 0.640 6.305 1.00 0.00 C ATOM 630 CG2 VAL A 40 -1.413 -1.418 5.158 1.00 0.00 C ATOM 0 H VAL A 40 -3.974 -1.698 3.469 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.857 -1.561 6.498 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.617 0.120 4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.300 1.141 6.086 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.045 1.377 6.341 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.171 0.135 7.268 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.471 -0.915 4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.340 -1.927 6.119 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.623 -2.148 4.376 1.00 0.00 H new ATOM 640 N CYS A 41 -5.434 0.368 6.656 1.00 0.00 N ATOM 641 CA CYS A 41 -6.560 1.345 6.711 1.00 0.00 C ATOM 642 C CYS A 41 -6.232 2.482 7.683 1.00 0.00 C ATOM 643 O CYS A 41 -5.343 2.371 8.505 1.00 0.00 O ATOM 644 CB CYS A 41 -7.767 0.539 7.206 1.00 0.00 C ATOM 645 SG CYS A 41 -7.402 -0.185 8.828 1.00 0.00 S ATOM 0 H CYS A 41 -5.038 0.110 7.560 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.751 1.806 5.742 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.643 1.184 7.275 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.007 -0.249 6.492 1.00 0.00 H new ATOM 0 HG CYS A 41 -6.423 0.466 9.383 1.00 0.00 H new ATOM 651 N ASP A 42 -6.944 3.572 7.594 1.00 0.00 N ATOM 652 CA ASP A 42 -6.681 4.719 8.508 1.00 0.00 C ATOM 653 C ASP A 42 -7.611 4.649 9.721 1.00 0.00 C ATOM 654 O ASP A 42 -8.438 3.764 9.824 1.00 0.00 O ATOM 655 CB ASP A 42 -6.961 5.970 7.683 1.00 0.00 C ATOM 656 CG ASP A 42 -6.063 7.109 8.175 1.00 0.00 C ATOM 657 OD1 ASP A 42 -5.921 7.246 9.377 1.00 0.00 O ATOM 658 OD2 ASP A 42 -5.535 7.823 7.340 1.00 0.00 O ATOM 0 H ASP A 42 -7.700 3.718 6.925 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.660 4.714 8.890 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.774 5.773 6.627 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.010 6.253 7.774 1.00 0.00 H new ATOM 663 N HIS A 43 -7.460 5.563 10.647 1.00 0.00 N ATOM 664 CA HIS A 43 -8.310 5.559 11.880 1.00 0.00 C ATOM 665 C HIS A 43 -9.749 5.096 11.589 1.00 0.00 C ATOM 666 O HIS A 43 -10.063 3.931 11.736 1.00 0.00 O ATOM 667 CB HIS A 43 -8.291 7.009 12.374 1.00 0.00 C ATOM 668 CG HIS A 43 -9.041 7.105 13.675 1.00 0.00 C ATOM 669 ND1 HIS A 43 -8.888 6.170 14.686 1.00 0.00 N ATOM 670 CD2 HIS A 43 -9.952 8.020 14.143 1.00 0.00 C ATOM 671 CE1 HIS A 43 -9.689 6.538 15.702 1.00 0.00 C ATOM 672 NE2 HIS A 43 -10.359 7.660 15.424 1.00 0.00 N ATOM 0 H HIS A 43 -6.778 6.320 10.602 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.928 4.860 12.624 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.263 7.345 12.509 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.746 7.664 11.631 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.299 8.886 13.600 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.780 5.993 16.630 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -11.026 8.148 16.022 1.00 0.00 H new ATOM 680 N LYS A 44 -10.633 5.982 11.191 1.00 0.00 N ATOM 681 CA LYS A 44 -12.036 5.540 10.920 1.00 0.00 C ATOM 682 C LYS A 44 -12.234 5.164 9.445 1.00 0.00 C ATOM 683 O LYS A 44 -12.405 4.007 9.115 1.00 0.00 O ATOM 684 CB LYS A 44 -12.900 6.747 11.286 1.00 0.00 C ATOM 685 CG LYS A 44 -14.379 6.390 11.112 1.00 0.00 C ATOM 686 CD LYS A 44 -14.785 5.351 12.162 1.00 0.00 C ATOM 687 CE LYS A 44 -16.007 5.850 12.938 1.00 0.00 C ATOM 688 NZ LYS A 44 -15.458 6.789 13.957 1.00 0.00 N ATOM 0 H LYS A 44 -10.447 6.974 11.045 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.295 4.649 11.493 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.706 7.047 12.316 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.643 7.596 10.653 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.994 7.284 11.214 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.553 5.997 10.110 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.013 4.401 11.678 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.957 5.169 12.847 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.715 6.352 12.279 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.540 5.024 13.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.236 7.174 14.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.792 6.281 14.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.962 7.568 13.479 1.00 0.00 H new ATOM 702 N ARG A 45 -12.217 6.126 8.557 1.00 0.00 N ATOM 703 CA ARG A 45 -12.413 5.805 7.109 1.00 0.00 C ATOM 704 C ARG A 45 -11.763 6.863 6.207 1.00 0.00 C ATOM 705 O ARG A 45 -12.086 6.963 5.040 1.00 0.00 O ATOM 706 CB ARG A 45 -13.928 5.796 6.911 1.00 0.00 C ATOM 707 CG ARG A 45 -14.264 5.124 5.579 1.00 0.00 C ATOM 708 CD ARG A 45 -15.750 4.761 5.549 1.00 0.00 C ATOM 709 NE ARG A 45 -16.204 5.107 4.170 1.00 0.00 N ATOM 710 CZ ARG A 45 -17.478 5.128 3.890 1.00 0.00 C ATOM 711 NH1 ARG A 45 -18.281 5.909 4.559 1.00 0.00 N ATOM 712 NH2 ARG A 45 -17.949 4.370 2.938 1.00 0.00 N ATOM 0 H ARG A 45 -12.077 7.114 8.769 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.950 4.854 6.844 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.409 5.263 7.731 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.313 6.816 6.924 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.026 5.793 4.752 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -13.657 4.228 5.449 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.902 3.703 5.761 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.308 5.320 6.300 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.519 5.327 3.447 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -17.913 6.504 5.301 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -19.277 5.925 4.340 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -17.321 3.761 2.413 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -18.945 4.386 2.719 1.00 0.00 H new ATOM 726 N THR A 46 -10.870 7.663 6.729 1.00 0.00 N ATOM 727 CA THR A 46 -10.231 8.719 5.880 1.00 0.00 C ATOM 728 C THR A 46 -9.645 8.108 4.603 1.00 0.00 C ATOM 729 O THR A 46 -10.110 8.372 3.512 1.00 0.00 O ATOM 730 CB THR A 46 -9.124 9.324 6.745 1.00 0.00 C ATOM 731 OG1 THR A 46 -8.170 8.325 7.057 1.00 0.00 O ATOM 732 CG2 THR A 46 -9.723 9.884 8.035 1.00 0.00 C ATOM 0 H THR A 46 -10.556 7.634 7.699 1.00 0.00 H new ATOM 0 HA THR A 46 -10.953 9.471 5.563 1.00 0.00 H new ATOM 0 HB THR A 46 -8.638 10.131 6.197 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.272 8.718 7.057 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.930 10.314 8.648 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.453 10.656 7.792 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.213 9.082 8.587 1.00 0.00 H new ATOM 740 N ILE A 47 -8.627 7.297 4.726 1.00 0.00 N ATOM 741 CA ILE A 47 -8.016 6.677 3.511 1.00 0.00 C ATOM 742 C ILE A 47 -7.810 5.173 3.726 1.00 0.00 C ATOM 743 O ILE A 47 -7.296 4.746 4.744 1.00 0.00 O ATOM 744 CB ILE A 47 -6.671 7.386 3.338 1.00 0.00 C ATOM 745 CG1 ILE A 47 -6.898 8.893 3.158 1.00 0.00 C ATOM 746 CG2 ILE A 47 -5.957 6.830 2.103 1.00 0.00 C ATOM 747 CD1 ILE A 47 -6.302 9.652 4.347 1.00 0.00 C ATOM 0 H ILE A 47 -8.193 7.037 5.612 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.650 6.785 2.631 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.059 7.216 4.224 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.437 9.231 2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.965 9.103 3.078 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.999 7.334 1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.790 5.760 2.230 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.573 6.999 1.220 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.466 10.722 4.215 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.784 9.322 5.268 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.232 9.453 4.406 1.00 0.00 H new ATOM 759 N ARG A 48 -8.205 4.369 2.774 1.00 0.00 N ATOM 760 CA ARG A 48 -8.033 2.894 2.914 1.00 0.00 C ATOM 761 C ARG A 48 -7.603 2.282 1.579 1.00 0.00 C ATOM 762 O ARG A 48 -8.336 2.313 0.607 1.00 0.00 O ATOM 763 CB ARG A 48 -9.412 2.374 3.323 1.00 0.00 C ATOM 764 CG ARG A 48 -9.254 1.062 4.093 1.00 0.00 C ATOM 765 CD ARG A 48 -10.595 0.669 4.721 1.00 0.00 C ATOM 766 NE ARG A 48 -10.980 -0.600 4.045 1.00 0.00 N ATOM 767 CZ ARG A 48 -10.795 -1.743 4.649 1.00 0.00 C ATOM 768 NH1 ARG A 48 -9.630 -2.027 5.164 1.00 0.00 N ATOM 769 NH2 ARG A 48 -11.774 -2.600 4.737 1.00 0.00 N ATOM 0 H ARG A 48 -8.641 4.672 1.903 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.265 2.634 3.643 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.922 3.112 3.942 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.030 2.217 2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.910 0.274 3.422 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -8.496 1.173 4.869 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.501 0.530 5.798 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.346 1.443 4.564 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.388 -0.577 3.110 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.865 -1.356 5.095 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.485 -2.920 5.636 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.684 -2.378 4.334 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -11.629 -3.493 5.209 1.00 0.00 H new ATOM 783 N LYS A 49 -6.422 1.726 1.518 1.00 0.00 N ATOM 784 CA LYS A 49 -5.947 1.115 0.241 1.00 0.00 C ATOM 785 C LYS A 49 -5.193 -0.186 0.528 1.00 0.00 C ATOM 786 O LYS A 49 -4.613 -0.360 1.583 1.00 0.00 O ATOM 787 CB LYS A 49 -5.009 2.159 -0.370 1.00 0.00 C ATOM 788 CG LYS A 49 -4.466 1.644 -1.705 1.00 0.00 C ATOM 789 CD LYS A 49 -5.560 1.735 -2.772 1.00 0.00 C ATOM 790 CE LYS A 49 -5.597 3.152 -3.347 1.00 0.00 C ATOM 791 NZ LYS A 49 -6.758 3.157 -4.281 1.00 0.00 N ATOM 0 H LYS A 49 -5.766 1.668 2.297 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.768 0.863 -0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.542 3.098 -0.521 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.185 2.367 0.313 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.599 2.231 -2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.131 0.612 -1.600 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.368 1.014 -3.567 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.527 1.482 -2.338 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.721 3.895 -2.559 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.670 3.391 -3.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.849 4.097 -4.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.609 2.445 -5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.627 2.933 -3.756 1.00 0.00 H new ATOM 805 N GLY A 50 -5.194 -1.103 -0.404 1.00 0.00 N ATOM 806 CA GLY A 50 -4.477 -2.393 -0.190 1.00 0.00 C ATOM 807 C GLY A 50 -3.285 -2.476 -1.143 1.00 0.00 C ATOM 808 O GLY A 50 -3.437 -2.734 -2.321 1.00 0.00 O ATOM 0 H GLY A 50 -5.662 -1.013 -1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.136 -2.465 0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.153 -3.230 -0.362 1.00 0.00 H new ATOM 812 N LEU A 51 -2.096 -2.258 -0.645 1.00 0.00 N ATOM 813 CA LEU A 51 -0.893 -2.322 -1.522 1.00 0.00 C ATOM 814 C LEU A 51 -0.005 -3.505 -1.121 1.00 0.00 C ATOM 815 O LEU A 51 -0.114 -4.032 -0.031 1.00 0.00 O ATOM 816 CB LEU A 51 -0.158 -1.002 -1.288 1.00 0.00 C ATOM 817 CG LEU A 51 -1.021 0.160 -1.784 1.00 0.00 C ATOM 818 CD1 LEU A 51 -0.658 1.430 -1.013 1.00 0.00 C ATOM 819 CD2 LEU A 51 -0.771 0.381 -3.277 1.00 0.00 C ATOM 0 H LEU A 51 -1.907 -2.038 0.333 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.157 -2.462 -2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.061 -0.879 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.798 -1.008 -1.812 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.073 -0.075 -1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.273 2.258 -1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.837 1.273 0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.394 1.665 -1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.386 1.209 -3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.281 0.616 -3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.030 -0.524 -3.827 1.00 0.00 H new ATOM 831 N THR A 52 0.875 -3.919 -1.993 1.00 0.00 N ATOM 832 CA THR A 52 1.774 -5.064 -1.664 1.00 0.00 C ATOM 833 C THR A 52 3.115 -4.540 -1.141 1.00 0.00 C ATOM 834 O THR A 52 3.774 -3.749 -1.784 1.00 0.00 O ATOM 835 CB THR A 52 1.966 -5.809 -2.985 1.00 0.00 C ATOM 836 OG1 THR A 52 2.477 -4.915 -3.963 1.00 0.00 O ATOM 837 CG2 THR A 52 0.624 -6.372 -3.456 1.00 0.00 C ATOM 0 H THR A 52 1.010 -3.514 -2.919 1.00 0.00 H new ATOM 0 HA THR A 52 1.359 -5.711 -0.891 1.00 0.00 H new ATOM 0 HB THR A 52 2.670 -6.629 -2.840 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.942 -4.175 -3.519 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.763 -6.903 -4.398 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.235 -7.060 -2.706 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.083 -5.555 -3.601 1.00 0.00 H new ATOM 845 N ALA A 53 3.519 -4.975 0.023 1.00 0.00 N ATOM 846 CA ALA A 53 4.818 -4.500 0.587 1.00 0.00 C ATOM 847 C ALA A 53 5.557 -5.653 1.270 1.00 0.00 C ATOM 848 O ALA A 53 4.953 -6.517 1.875 1.00 0.00 O ATOM 849 CB ALA A 53 4.436 -3.429 1.608 1.00 0.00 C ATOM 0 H ALA A 53 3.008 -5.637 0.607 1.00 0.00 H new ATOM 0 HA ALA A 53 5.484 -4.112 -0.184 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.338 -3.028 2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.896 -2.625 1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.800 -3.869 2.376 1.00 0.00 H new ATOM 855 N ALA A 54 6.859 -5.670 1.178 1.00 0.00 N ATOM 856 CA ALA A 54 7.642 -6.765 1.823 1.00 0.00 C ATOM 857 C ALA A 54 8.918 -6.195 2.451 1.00 0.00 C ATOM 858 O ALA A 54 9.900 -5.959 1.775 1.00 0.00 O ATOM 859 CB ALA A 54 7.986 -7.731 0.689 1.00 0.00 C ATOM 0 H ALA A 54 7.416 -4.973 0.684 1.00 0.00 H new ATOM 0 HA ALA A 54 7.086 -7.259 2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.564 -8.566 1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.067 -8.106 0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.573 -7.210 -0.067 1.00 0.00 H new ATOM 865 N THR A 55 8.913 -5.976 3.740 1.00 0.00 N ATOM 866 CA THR A 55 10.128 -5.422 4.406 1.00 0.00 C ATOM 867 C THR A 55 10.160 -5.835 5.880 1.00 0.00 C ATOM 868 O THR A 55 9.137 -6.061 6.496 1.00 0.00 O ATOM 869 CB THR A 55 10.001 -3.905 4.277 1.00 0.00 C ATOM 870 OG1 THR A 55 9.487 -3.580 2.993 1.00 0.00 O ATOM 871 CG2 THR A 55 11.378 -3.267 4.452 1.00 0.00 C ATOM 0 H THR A 55 8.122 -6.156 4.359 1.00 0.00 H new ATOM 0 HA THR A 55 11.048 -5.791 3.953 1.00 0.00 H new ATOM 0 HB THR A 55 9.324 -3.528 5.043 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.404 -2.607 2.911 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.292 -2.184 4.361 1.00 0.00 H new ATOM 0 HG22 THR A 55 11.773 -3.518 5.437 1.00 0.00 H new ATOM 0 HG23 THR A 55 12.054 -3.643 3.684 1.00 0.00 H new ATOM 879 N ARG A 56 11.333 -5.948 6.447 1.00 0.00 N ATOM 880 CA ARG A 56 11.439 -6.360 7.878 1.00 0.00 C ATOM 881 C ARG A 56 11.446 -5.140 8.811 1.00 0.00 C ATOM 882 O ARG A 56 10.541 -4.949 9.600 1.00 0.00 O ATOM 883 CB ARG A 56 12.768 -7.113 7.972 1.00 0.00 C ATOM 884 CG ARG A 56 12.693 -8.145 9.099 1.00 0.00 C ATOM 885 CD ARG A 56 14.059 -8.814 9.268 1.00 0.00 C ATOM 886 NE ARG A 56 13.752 -10.232 9.601 1.00 0.00 N ATOM 887 CZ ARG A 56 13.723 -10.619 10.846 1.00 0.00 C ATOM 888 NH1 ARG A 56 14.802 -10.542 11.578 1.00 0.00 N ATOM 889 NH2 ARG A 56 12.618 -11.082 11.361 1.00 0.00 N ATOM 0 H ARG A 56 12.223 -5.773 5.980 1.00 0.00 H new ATOM 0 HA ARG A 56 10.591 -6.972 8.184 1.00 0.00 H new ATOM 0 HB2 ARG A 56 12.985 -7.608 7.025 1.00 0.00 H new ATOM 0 HB3 ARG A 56 13.582 -6.413 8.160 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.395 -7.662 10.030 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.935 -8.894 8.871 1.00 0.00 H new ATOM 0 HD2 ARG A 56 14.650 -8.742 8.355 1.00 0.00 H new ATOM 0 HD3 ARG A 56 14.637 -8.338 10.060 1.00 0.00 H new ATOM 0 HE ARG A 56 13.564 -10.902 8.855 1.00 0.00 H new ATOM 0 HH11 ARG A 56 15.666 -10.179 11.176 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.780 -10.844 12.552 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.775 -11.142 10.790 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.597 -11.384 12.335 1.00 0.00 H new ATOM 903 N GLN A 57 12.471 -4.330 8.746 1.00 0.00 N ATOM 904 CA GLN A 57 12.549 -3.140 9.648 1.00 0.00 C ATOM 905 C GLN A 57 11.902 -1.903 9.012 1.00 0.00 C ATOM 906 O GLN A 57 11.103 -1.228 9.630 1.00 0.00 O ATOM 907 CB GLN A 57 14.047 -2.905 9.856 1.00 0.00 C ATOM 908 CG GLN A 57 14.265 -2.056 11.109 1.00 0.00 C ATOM 909 CD GLN A 57 15.730 -1.630 11.189 1.00 0.00 C ATOM 910 OE1 GLN A 57 16.052 -0.477 10.982 1.00 0.00 O ATOM 911 NE2 GLN A 57 16.641 -2.518 11.482 1.00 0.00 N ATOM 0 H GLN A 57 13.258 -4.441 8.107 1.00 0.00 H new ATOM 0 HA GLN A 57 12.014 -3.314 10.582 1.00 0.00 H new ATOM 0 HB2 GLN A 57 14.564 -3.859 9.957 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.471 -2.403 8.986 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.621 -1.177 11.082 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.992 -2.624 11.998 1.00 0.00 H new ATOM 0 HE21 GLN A 57 16.372 -3.486 11.656 1.00 0.00 H new ATOM 0 HE22 GLN A 57 17.622 -2.243 11.537 1.00 0.00 H new ATOM 920 N GLU A 58 12.253 -1.590 7.793 1.00 0.00 N ATOM 921 CA GLU A 58 11.666 -0.381 7.136 1.00 0.00 C ATOM 922 C GLU A 58 10.143 -0.512 6.992 1.00 0.00 C ATOM 923 O GLU A 58 9.462 0.449 6.694 1.00 0.00 O ATOM 924 CB GLU A 58 12.331 -0.311 5.760 1.00 0.00 C ATOM 925 CG GLU A 58 12.213 1.111 5.208 1.00 0.00 C ATOM 926 CD GLU A 58 13.266 1.327 4.119 1.00 0.00 C ATOM 927 OE1 GLU A 58 13.412 0.451 3.283 1.00 0.00 O ATOM 928 OE2 GLU A 58 13.908 2.364 4.140 1.00 0.00 O ATOM 0 H GLU A 58 12.917 -2.115 7.224 1.00 0.00 H new ATOM 0 HA GLU A 58 11.841 0.520 7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.380 -0.597 5.836 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.857 -1.017 5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.215 1.272 4.800 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.351 1.836 6.010 1.00 0.00 H new ATOM 935 N LEU A 59 9.601 -1.685 7.200 1.00 0.00 N ATOM 936 CA LEU A 59 8.125 -1.858 7.075 1.00 0.00 C ATOM 937 C LEU A 59 7.396 -0.862 7.987 1.00 0.00 C ATOM 938 O LEU A 59 6.361 -0.327 7.636 1.00 0.00 O ATOM 939 CB LEU A 59 7.862 -3.299 7.523 1.00 0.00 C ATOM 940 CG LEU A 59 6.361 -3.580 7.501 1.00 0.00 C ATOM 941 CD1 LEU A 59 5.896 -3.772 6.057 1.00 0.00 C ATOM 942 CD2 LEU A 59 6.067 -4.847 8.306 1.00 0.00 C ATOM 0 H LEU A 59 10.117 -2.528 7.451 1.00 0.00 H new ATOM 0 HA LEU A 59 7.767 -1.675 6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.382 -3.995 6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.256 -3.455 8.527 1.00 0.00 H new ATOM 0 HG LEU A 59 5.829 -2.738 7.943 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.825 -3.972 6.043 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.103 -2.868 5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.428 -4.613 5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.996 -5.048 8.290 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.600 -5.690 7.866 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.395 -4.708 9.336 1.00 0.00 H new ATOM 954 N LEU A 60 7.928 -0.614 9.154 1.00 0.00 N ATOM 955 CA LEU A 60 7.271 0.346 10.090 1.00 0.00 C ATOM 956 C LEU A 60 7.153 1.721 9.428 1.00 0.00 C ATOM 957 O LEU A 60 6.117 2.356 9.478 1.00 0.00 O ATOM 958 CB LEU A 60 8.199 0.409 11.311 1.00 0.00 C ATOM 959 CG LEU A 60 7.432 0.924 12.537 1.00 0.00 C ATOM 960 CD1 LEU A 60 6.902 2.333 12.268 1.00 0.00 C ATOM 961 CD2 LEU A 60 6.257 -0.012 12.838 1.00 0.00 C ATOM 0 H LEU A 60 8.790 -1.035 9.500 1.00 0.00 H new ATOM 0 HA LEU A 60 6.263 0.037 10.365 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.607 -0.580 11.518 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.044 1.064 11.101 1.00 0.00 H new ATOM 0 HG LEU A 60 8.107 0.952 13.392 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.359 2.691 13.143 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.737 3.002 12.060 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.232 2.312 11.409 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.713 0.355 13.709 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.587 -0.043 11.979 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.633 -1.015 13.041 1.00 0.00 H new ATOM 973 N ALA A 61 8.203 2.180 8.802 1.00 0.00 N ATOM 974 CA ALA A 61 8.156 3.514 8.132 1.00 0.00 C ATOM 975 C ALA A 61 6.996 3.566 7.131 1.00 0.00 C ATOM 976 O ALA A 61 6.464 4.618 6.839 1.00 0.00 O ATOM 977 CB ALA A 61 9.496 3.643 7.406 1.00 0.00 C ATOM 0 H ALA A 61 9.093 1.689 8.725 1.00 0.00 H new ATOM 0 HA ALA A 61 7.998 4.325 8.843 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.538 4.601 6.888 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.309 3.586 8.130 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.597 2.834 6.682 1.00 0.00 H new ATOM 983 N LYS A 62 6.603 2.434 6.605 1.00 0.00 N ATOM 984 CA LYS A 62 5.477 2.416 5.622 1.00 0.00 C ATOM 985 C LYS A 62 4.204 2.976 6.262 1.00 0.00 C ATOM 986 O LYS A 62 3.515 3.788 5.680 1.00 0.00 O ATOM 987 CB LYS A 62 5.286 0.943 5.257 1.00 0.00 C ATOM 988 CG LYS A 62 4.374 0.831 4.033 1.00 0.00 C ATOM 989 CD LYS A 62 3.400 -0.335 4.219 1.00 0.00 C ATOM 990 CE LYS A 62 2.270 0.082 5.166 1.00 0.00 C ATOM 991 NZ LYS A 62 2.425 -0.791 6.363 1.00 0.00 N ATOM 0 H LYS A 62 7.012 1.523 6.813 1.00 0.00 H new ATOM 0 HA LYS A 62 5.690 3.029 4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.251 0.482 5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.851 0.403 6.098 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.821 1.760 3.893 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.972 0.678 3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.988 -0.634 3.255 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.926 -1.200 4.623 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.349 1.136 5.434 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.294 -0.057 4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.670 -1.506 6.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.350 -1.265 6.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.363 -0.212 7.225 1.00 0.00 H new ATOM 1005 N ALA A 63 3.887 2.544 7.454 1.00 0.00 N ATOM 1006 CA ALA A 63 2.654 3.047 8.135 1.00 0.00 C ATOM 1007 C ALA A 63 2.702 4.572 8.278 1.00 0.00 C ATOM 1008 O ALA A 63 1.687 5.239 8.246 1.00 0.00 O ATOM 1009 CB ALA A 63 2.666 2.387 9.515 1.00 0.00 C ATOM 0 H ALA A 63 4.428 1.864 7.987 1.00 0.00 H new ATOM 0 HA ALA A 63 1.752 2.809 7.571 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.790 2.707 10.079 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.648 1.303 9.400 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.569 2.680 10.051 1.00 0.00 H new ATOM 1015 N LEU A 64 3.870 5.121 8.451 1.00 0.00 N ATOM 1016 CA LEU A 64 3.989 6.602 8.606 1.00 0.00 C ATOM 1017 C LEU A 64 3.863 7.313 7.251 1.00 0.00 C ATOM 1018 O LEU A 64 2.880 7.967 6.965 1.00 0.00 O ATOM 1019 CB LEU A 64 5.384 6.831 9.201 1.00 0.00 C ATOM 1020 CG LEU A 64 5.362 6.589 10.715 1.00 0.00 C ATOM 1021 CD1 LEU A 64 4.389 7.567 11.379 1.00 0.00 C ATOM 1022 CD2 LEU A 64 4.919 5.152 11.009 1.00 0.00 C ATOM 0 H LEU A 64 4.752 4.609 8.492 1.00 0.00 H new ATOM 0 HA LEU A 64 3.198 7.003 9.239 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.103 6.161 8.729 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.713 7.849 8.993 1.00 0.00 H new ATOM 0 HG LEU A 64 6.365 6.745 11.113 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.375 7.393 12.455 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.710 8.590 11.181 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.388 7.416 10.974 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.906 4.988 12.087 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.920 4.990 10.605 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.616 4.454 10.544 1.00 0.00 H new ATOM 1034 N GLU A 65 4.874 7.207 6.429 1.00 0.00 N ATOM 1035 CA GLU A 65 4.862 7.894 5.100 1.00 0.00 C ATOM 1036 C GLU A 65 3.590 7.592 4.298 1.00 0.00 C ATOM 1037 O GLU A 65 3.137 8.417 3.529 1.00 0.00 O ATOM 1038 CB GLU A 65 6.088 7.346 4.366 1.00 0.00 C ATOM 1039 CG GLU A 65 6.468 8.292 3.227 1.00 0.00 C ATOM 1040 CD GLU A 65 5.505 8.095 2.055 1.00 0.00 C ATOM 1041 OE1 GLU A 65 5.261 6.953 1.701 1.00 0.00 O ATOM 1042 OE2 GLU A 65 5.029 9.088 1.531 1.00 0.00 O ATOM 0 H GLU A 65 5.718 6.668 6.623 1.00 0.00 H new ATOM 0 HA GLU A 65 4.884 8.977 5.222 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.923 7.241 5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.874 6.353 3.971 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.431 9.326 3.571 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.492 8.099 2.906 1.00 0.00 H new ATOM 1049 N THR A 66 3.013 6.426 4.445 1.00 0.00 N ATOM 1050 CA THR A 66 1.782 6.108 3.652 1.00 0.00 C ATOM 1051 C THR A 66 0.724 7.210 3.823 1.00 0.00 C ATOM 1052 O THR A 66 0.262 7.781 2.854 1.00 0.00 O ATOM 1053 CB THR A 66 1.272 4.758 4.173 1.00 0.00 C ATOM 1054 OG1 THR A 66 0.056 4.431 3.515 1.00 0.00 O ATOM 1055 CG2 THR A 66 1.028 4.825 5.679 1.00 0.00 C ATOM 0 H THR A 66 3.334 5.688 5.071 1.00 0.00 H new ATOM 0 HA THR A 66 1.999 6.054 2.585 1.00 0.00 H new ATOM 0 HB THR A 66 2.024 3.995 3.971 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.272 3.568 3.844 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.667 3.859 6.032 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.960 5.072 6.188 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.283 5.592 5.893 1.00 0.00 H new ATOM 1063 N LEU A 67 0.340 7.525 5.034 1.00 0.00 N ATOM 1064 CA LEU A 67 -0.677 8.596 5.230 1.00 0.00 C ATOM 1065 C LEU A 67 -0.001 9.896 5.677 1.00 0.00 C ATOM 1066 O LEU A 67 -0.195 10.943 5.091 1.00 0.00 O ATOM 1067 CB LEU A 67 -1.603 8.071 6.326 1.00 0.00 C ATOM 1068 CG LEU A 67 -2.437 6.910 5.780 1.00 0.00 C ATOM 1069 CD1 LEU A 67 -2.999 6.094 6.945 1.00 0.00 C ATOM 1070 CD2 LEU A 67 -3.591 7.465 4.942 1.00 0.00 C ATOM 0 H LEU A 67 0.685 7.089 5.889 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.219 8.820 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.017 7.740 7.183 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.258 8.869 6.676 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.810 6.271 5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.593 5.267 6.557 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.177 5.701 7.544 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.628 6.732 7.566 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.187 6.640 4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.218 8.103 5.564 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.191 8.048 4.112 1.00 0.00 H new ATOM 1082 N LEU A 68 0.796 9.832 6.713 1.00 0.00 N ATOM 1083 CA LEU A 68 1.493 11.058 7.203 1.00 0.00 C ATOM 1084 C LEU A 68 2.863 10.697 7.784 1.00 0.00 C ATOM 1085 O LEU A 68 2.982 9.800 8.595 1.00 0.00 O ATOM 1086 CB LEU A 68 0.582 11.626 8.293 1.00 0.00 C ATOM 1087 CG LEU A 68 -0.566 12.406 7.650 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -1.515 12.907 8.738 1.00 0.00 C ATOM 1089 CD2 LEU A 68 0.000 13.602 6.877 1.00 0.00 C ATOM 0 H LEU A 68 0.994 8.982 7.241 1.00 0.00 H new ATOM 0 HA LEU A 68 1.669 11.777 6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.186 10.817 8.907 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.153 12.278 8.954 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.109 11.754 6.966 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.333 13.463 8.280 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.918 12.057 9.289 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.972 13.559 9.422 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.817 14.159 6.418 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.543 14.253 7.561 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.677 13.246 6.101 1.00 0.00 H new ATOM 1101 N LEU A 69 3.894 11.393 7.386 1.00 0.00 N ATOM 1102 CA LEU A 69 5.251 11.089 7.930 1.00 0.00 C ATOM 1103 C LEU A 69 5.574 12.034 9.095 1.00 0.00 C ATOM 1104 O LEU A 69 5.659 13.235 8.930 1.00 0.00 O ATOM 1105 CB LEU A 69 6.213 11.309 6.755 1.00 0.00 C ATOM 1106 CG LEU A 69 6.192 12.779 6.322 1.00 0.00 C ATOM 1107 CD1 LEU A 69 7.447 13.483 6.844 1.00 0.00 C ATOM 1108 CD2 LEU A 69 6.165 12.861 4.794 1.00 0.00 C ATOM 0 H LEU A 69 3.857 12.156 6.710 1.00 0.00 H new ATOM 0 HA LEU A 69 5.326 10.074 8.321 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.224 11.022 7.045 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.928 10.672 5.918 1.00 0.00 H new ATOM 0 HG LEU A 69 5.305 13.264 6.730 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.432 14.529 6.536 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.470 13.425 7.932 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.333 12.997 6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.150 13.906 4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.052 12.376 4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.273 12.359 4.418 1.00 0.00 H new ATOM 1120 N ASN A 70 5.750 11.497 10.274 1.00 0.00 N ATOM 1121 CA ASN A 70 6.064 12.360 11.452 1.00 0.00 C ATOM 1122 C ASN A 70 7.157 11.714 12.310 1.00 0.00 C ATOM 1123 O ASN A 70 7.255 10.507 12.402 1.00 0.00 O ATOM 1124 CB ASN A 70 4.751 12.454 12.231 1.00 0.00 C ATOM 1125 CG ASN A 70 4.837 13.600 13.244 1.00 0.00 C ATOM 1126 OD1 ASN A 70 5.902 13.907 13.742 1.00 0.00 O ATOM 1127 ND2 ASN A 70 3.752 14.247 13.572 1.00 0.00 N ATOM 0 H ASN A 70 5.690 10.498 10.472 1.00 0.00 H new ATOM 0 HA ASN A 70 6.436 13.342 11.158 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.921 12.623 11.545 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.553 11.514 12.746 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.798 15.011 14.247 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.858 13.989 13.154 1.00 0.00 H new ATOM 1134 N GLY A 71 7.980 12.514 12.935 1.00 0.00 N ATOM 1135 CA GLY A 71 9.072 11.956 13.784 1.00 0.00 C ATOM 1136 C GLY A 71 8.477 11.162 14.952 1.00 0.00 C ATOM 1137 O GLY A 71 9.106 10.274 15.492 1.00 0.00 O ATOM 0 H GLY A 71 7.942 13.532 12.894 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.715 11.311 13.185 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.697 12.764 14.164 1.00 0.00 H new ATOM 1141 N VAL A 72 7.269 11.477 15.347 1.00 0.00 N ATOM 1142 CA VAL A 72 6.645 10.736 16.484 1.00 0.00 C ATOM 1143 C VAL A 72 5.196 10.365 16.148 1.00 0.00 C ATOM 1144 O VAL A 72 4.395 11.208 15.793 1.00 0.00 O ATOM 1145 CB VAL A 72 6.685 11.704 17.669 1.00 0.00 C ATOM 1146 CG1 VAL A 72 6.166 10.997 18.919 1.00 0.00 C ATOM 1147 CG2 VAL A 72 8.127 12.160 17.909 1.00 0.00 C ATOM 0 H VAL A 72 6.692 12.210 14.934 1.00 0.00 H new ATOM 0 HA VAL A 72 7.171 9.806 16.700 1.00 0.00 H new ATOM 0 HB VAL A 72 6.060 12.570 17.451 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.194 11.685 19.764 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.140 10.669 18.752 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.793 10.132 19.135 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.155 12.849 18.753 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.751 11.293 18.127 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.503 12.662 17.018 1.00 0.00 H new ATOM 1157 N LEU A 73 4.859 9.107 16.260 1.00 0.00 N ATOM 1158 CA LEU A 73 3.466 8.672 15.951 1.00 0.00 C ATOM 1159 C LEU A 73 3.055 7.528 16.884 1.00 0.00 C ATOM 1160 O LEU A 73 3.823 6.623 17.145 1.00 0.00 O ATOM 1161 CB LEU A 73 3.518 8.195 14.495 1.00 0.00 C ATOM 1162 CG LEU A 73 2.105 8.137 13.892 1.00 0.00 C ATOM 1163 CD1 LEU A 73 1.277 7.066 14.605 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.419 9.500 14.043 1.00 0.00 C ATOM 0 H LEU A 73 5.490 8.361 16.553 1.00 0.00 H new ATOM 0 HA LEU A 73 2.737 9.470 16.090 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.142 8.869 13.908 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.980 7.209 14.446 1.00 0.00 H new ATOM 0 HG LEU A 73 2.182 7.886 12.834 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.277 7.031 14.172 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.758 6.095 14.486 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.205 7.308 15.665 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.418 9.453 13.614 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.349 9.757 15.100 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.002 10.260 13.523 1.00 0.00 H new ATOM 1176 N THR A 74 1.848 7.562 17.384 1.00 0.00 N ATOM 1177 CA THR A 74 1.384 6.474 18.296 1.00 0.00 C ATOM 1178 C THR A 74 0.637 5.402 17.497 1.00 0.00 C ATOM 1179 O THR A 74 -0.361 5.676 16.860 1.00 0.00 O ATOM 1180 CB THR A 74 0.442 7.160 19.284 1.00 0.00 C ATOM 1181 OG1 THR A 74 -0.415 8.047 18.577 1.00 0.00 O ATOM 1182 CG2 THR A 74 1.259 7.947 20.310 1.00 0.00 C ATOM 0 H THR A 74 1.163 8.295 17.201 1.00 0.00 H new ATOM 0 HA THR A 74 2.211 5.976 18.802 1.00 0.00 H new ATOM 0 HB THR A 74 -0.155 6.408 19.800 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.645 7.656 17.708 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.585 8.436 21.014 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.917 7.267 20.850 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.858 8.700 19.798 1.00 0.00 H new ATOM 1190 N LEU A 75 1.111 4.183 17.527 1.00 0.00 N ATOM 1191 CA LEU A 75 0.423 3.096 16.769 1.00 0.00 C ATOM 1192 C LEU A 75 -0.542 2.344 17.688 1.00 0.00 C ATOM 1193 O LEU A 75 -0.190 1.952 18.782 1.00 0.00 O ATOM 1194 CB LEU A 75 1.542 2.164 16.300 1.00 0.00 C ATOM 1195 CG LEU A 75 2.207 2.745 15.053 1.00 0.00 C ATOM 1196 CD1 LEU A 75 3.683 2.345 15.029 1.00 0.00 C ATOM 1197 CD2 LEU A 75 1.515 2.193 13.805 1.00 0.00 C ATOM 0 H LEU A 75 1.943 3.894 18.042 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.161 3.484 15.935 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.280 2.038 17.092 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.138 1.176 16.081 1.00 0.00 H new ATOM 0 HG LEU A 75 2.123 3.832 15.070 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.158 2.759 14.140 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.179 2.732 15.919 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.765 1.258 15.011 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.988 2.606 12.914 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.602 1.107 13.791 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.462 2.472 13.819 1.00 0.00 H new ATOM 1209 N VAL A 76 -1.754 2.135 17.248 1.00 0.00 N ATOM 1210 CA VAL A 76 -2.737 1.403 18.098 1.00 0.00 C ATOM 1211 C VAL A 76 -3.542 0.417 17.250 1.00 0.00 C ATOM 1212 O VAL A 76 -3.537 0.476 16.037 1.00 0.00 O ATOM 1213 CB VAL A 76 -3.650 2.481 18.684 1.00 0.00 C ATOM 1214 CG1 VAL A 76 -2.838 3.404 19.593 1.00 0.00 C ATOM 1215 CG2 VAL A 76 -4.272 3.299 17.550 1.00 0.00 C ATOM 0 H VAL A 76 -2.105 2.438 16.340 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.247 0.822 18.880 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.441 2.006 19.264 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.491 4.171 20.009 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.399 2.822 20.404 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.044 3.878 19.015 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.922 4.067 17.969 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.482 3.772 16.967 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.855 2.642 16.905 1.00 0.00 H new ATOM 1225 N LEU A 77 -4.234 -0.486 17.886 1.00 0.00 N ATOM 1226 CA LEU A 77 -5.049 -1.485 17.132 1.00 0.00 C ATOM 1227 C LEU A 77 -6.455 -1.575 17.733 1.00 0.00 C ATOM 1228 O LEU A 77 -6.628 -1.535 18.934 1.00 0.00 O ATOM 1229 CB LEU A 77 -4.308 -2.815 17.300 1.00 0.00 C ATOM 1230 CG LEU A 77 -4.077 -3.099 18.792 1.00 0.00 C ATOM 1231 CD1 LEU A 77 -4.687 -4.452 19.165 1.00 0.00 C ATOM 1232 CD2 LEU A 77 -2.573 -3.121 19.080 1.00 0.00 C ATOM 0 H LEU A 77 -4.272 -0.577 18.901 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.165 -1.216 16.082 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.887 -3.623 16.852 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.353 -2.778 16.776 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.552 -2.316 19.384 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.520 -4.647 20.224 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.758 -4.436 18.964 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.218 -5.238 18.573 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.408 -3.322 20.138 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.100 -3.901 18.484 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.139 -2.155 18.823 1.00 0.00 H new ATOM 1244 N GLU A 78 -7.460 -1.692 16.906 1.00 0.00 N ATOM 1245 CA GLU A 78 -8.854 -1.780 17.431 1.00 0.00 C ATOM 1246 C GLU A 78 -9.259 -3.244 17.647 1.00 0.00 C ATOM 1247 O GLU A 78 -10.232 -3.533 18.314 1.00 0.00 O ATOM 1248 CB GLU A 78 -9.726 -1.136 16.353 1.00 0.00 C ATOM 1249 CG GLU A 78 -11.048 -0.678 16.968 1.00 0.00 C ATOM 1250 CD GLU A 78 -12.035 -0.325 15.854 1.00 0.00 C ATOM 1251 OE1 GLU A 78 -12.533 -1.241 15.218 1.00 0.00 O ATOM 1252 OE2 GLU A 78 -12.280 0.853 15.657 1.00 0.00 O ATOM 0 H GLU A 78 -7.376 -1.730 15.890 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.959 -1.281 18.395 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.206 -0.287 15.910 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.915 -1.849 15.550 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.461 -1.466 17.597 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.882 0.188 17.609 1.00 0.00 H new ATOM 1259 N GLU A 79 -8.520 -4.168 17.088 1.00 0.00 N ATOM 1260 CA GLU A 79 -8.867 -5.611 17.262 1.00 0.00 C ATOM 1261 C GLU A 79 -8.928 -5.970 18.751 1.00 0.00 C ATOM 1262 O GLU A 79 -9.975 -6.289 19.279 1.00 0.00 O ATOM 1263 CB GLU A 79 -7.739 -6.378 16.569 1.00 0.00 C ATOM 1264 CG GLU A 79 -8.038 -7.878 16.613 1.00 0.00 C ATOM 1265 CD GLU A 79 -7.056 -8.620 15.704 1.00 0.00 C ATOM 1266 OE1 GLU A 79 -5.884 -8.281 15.730 1.00 0.00 O ATOM 1267 OE2 GLU A 79 -7.492 -9.513 14.999 1.00 0.00 O ATOM 0 H GLU A 79 -7.693 -3.986 16.520 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.843 -5.853 16.840 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.641 -6.046 15.535 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.789 -6.171 17.061 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.954 -8.247 17.635 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.062 -8.065 16.290 1.00 0.00 H new ATOM 1274 N ASP A 80 -7.812 -5.922 19.428 1.00 0.00 N ATOM 1275 CA ASP A 80 -7.802 -6.262 20.882 1.00 0.00 C ATOM 1276 C ASP A 80 -7.950 -4.992 21.726 1.00 0.00 C ATOM 1277 O ASP A 80 -8.445 -5.028 22.836 1.00 0.00 O ATOM 1278 CB ASP A 80 -6.439 -6.912 21.125 1.00 0.00 C ATOM 1279 CG ASP A 80 -6.485 -7.733 22.414 1.00 0.00 C ATOM 1280 OD1 ASP A 80 -7.222 -8.705 22.450 1.00 0.00 O ATOM 1281 OD2 ASP A 80 -5.781 -7.376 23.345 1.00 0.00 O ATOM 0 H ASP A 80 -6.906 -5.662 19.038 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.625 -6.922 21.158 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.175 -7.552 20.283 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.667 -6.146 21.197 1.00 0.00 H new ATOM 1286 N GLY A 81 -7.527 -3.870 21.208 1.00 0.00 N ATOM 1287 CA GLY A 81 -7.646 -2.598 21.977 1.00 0.00 C ATOM 1288 C GLY A 81 -6.386 -2.383 22.821 1.00 0.00 C ATOM 1289 O GLY A 81 -6.436 -2.384 24.035 1.00 0.00 O ATOM 0 H GLY A 81 -7.104 -3.780 20.284 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.784 -1.760 21.293 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.525 -2.632 22.621 1.00 0.00 H new ATOM 1293 N THR A 82 -5.259 -2.199 22.186 1.00 0.00 N ATOM 1294 CA THR A 82 -3.997 -1.980 22.952 1.00 0.00 C ATOM 1295 C THR A 82 -3.132 -0.915 22.267 1.00 0.00 C ATOM 1296 O THR A 82 -3.330 -0.591 21.111 1.00 0.00 O ATOM 1297 CB THR A 82 -3.288 -3.334 22.941 1.00 0.00 C ATOM 1298 OG1 THR A 82 -4.149 -4.324 23.487 1.00 0.00 O ATOM 1299 CG2 THR A 82 -2.009 -3.249 23.776 1.00 0.00 C ATOM 0 H THR A 82 -5.158 -2.191 21.171 1.00 0.00 H new ATOM 0 HA THR A 82 -4.188 -1.626 23.965 1.00 0.00 H new ATOM 0 HB THR A 82 -3.032 -3.602 21.916 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.695 -5.193 23.479 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.504 -4.215 23.768 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.349 -2.491 23.354 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.261 -2.980 24.802 1.00 0.00 H new ATOM 1307 N ALA A 83 -2.176 -0.370 22.973 1.00 0.00 N ATOM 1308 CA ALA A 83 -1.295 0.670 22.365 1.00 0.00 C ATOM 1309 C ALA A 83 0.022 0.041 21.901 1.00 0.00 C ATOM 1310 O ALA A 83 0.486 -0.931 22.467 1.00 0.00 O ATOM 1311 CB ALA A 83 -1.040 1.680 23.486 1.00 0.00 C ATOM 0 H ALA A 83 -1.967 -0.600 23.945 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.750 1.137 21.492 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.397 2.479 23.117 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.989 2.102 23.819 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.552 1.180 24.323 1.00 0.00 H new ATOM 1317 N VAL A 84 0.627 0.581 20.876 1.00 0.00 N ATOM 1318 CA VAL A 84 1.912 0.004 20.379 1.00 0.00 C ATOM 1319 C VAL A 84 2.841 1.109 19.869 1.00 0.00 C ATOM 1320 O VAL A 84 2.398 2.113 19.343 1.00 0.00 O ATOM 1321 CB VAL A 84 1.516 -0.925 19.230 1.00 0.00 C ATOM 1322 CG1 VAL A 84 2.757 -1.656 18.716 1.00 0.00 C ATOM 1323 CG2 VAL A 84 0.494 -1.949 19.725 1.00 0.00 C ATOM 0 H VAL A 84 0.289 1.395 20.362 1.00 0.00 H new ATOM 0 HA VAL A 84 2.450 -0.522 21.168 1.00 0.00 H new ATOM 0 HB VAL A 84 1.078 -0.336 18.425 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.476 -2.318 17.897 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.487 -0.928 18.360 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.194 -2.243 19.524 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.214 -2.609 18.904 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.930 -2.538 20.532 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.392 -1.431 20.092 1.00 0.00 H new ATOM 1333 N ASP A 85 4.126 0.923 20.011 1.00 0.00 N ATOM 1334 CA ASP A 85 5.093 1.951 19.529 1.00 0.00 C ATOM 1335 C ASP A 85 6.364 1.276 19.000 1.00 0.00 C ATOM 1336 O ASP A 85 7.393 1.904 18.846 1.00 0.00 O ATOM 1337 CB ASP A 85 5.409 2.811 20.756 1.00 0.00 C ATOM 1338 CG ASP A 85 5.999 1.936 21.864 1.00 0.00 C ATOM 1339 OD1 ASP A 85 7.199 1.719 21.843 1.00 0.00 O ATOM 1340 OD2 ASP A 85 5.241 1.500 22.713 1.00 0.00 O ATOM 0 H ASP A 85 4.549 0.101 20.441 1.00 0.00 H new ATOM 0 HA ASP A 85 4.687 2.547 18.711 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.113 3.598 20.488 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.503 3.301 21.111 1.00 0.00 H new ATOM 1345 N SER A 86 6.301 -0.002 18.722 1.00 0.00 N ATOM 1346 CA SER A 86 7.505 -0.719 18.207 1.00 0.00 C ATOM 1347 C SER A 86 7.091 -1.803 17.206 1.00 0.00 C ATOM 1348 O SER A 86 5.919 -2.041 16.985 1.00 0.00 O ATOM 1349 CB SER A 86 8.150 -1.346 19.442 1.00 0.00 C ATOM 1350 OG SER A 86 9.258 -2.140 19.042 1.00 0.00 O ATOM 0 H SER A 86 5.467 -0.579 18.830 1.00 0.00 H new ATOM 0 HA SER A 86 8.190 -0.052 17.684 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.476 -0.567 20.131 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.423 -1.959 19.975 1.00 0.00 H new ATOM 0 HG SER A 86 9.675 -2.542 19.833 1.00 0.00 H new ATOM 1356 N GLU A 87 8.046 -2.463 16.604 1.00 0.00 N ATOM 1357 CA GLU A 87 7.712 -3.536 15.618 1.00 0.00 C ATOM 1358 C GLU A 87 6.981 -4.697 16.304 1.00 0.00 C ATOM 1359 O GLU A 87 6.444 -5.572 15.651 1.00 0.00 O ATOM 1360 CB GLU A 87 9.060 -4.003 15.067 1.00 0.00 C ATOM 1361 CG GLU A 87 8.848 -4.686 13.713 1.00 0.00 C ATOM 1362 CD GLU A 87 9.956 -5.713 13.479 1.00 0.00 C ATOM 1363 OE1 GLU A 87 11.105 -5.309 13.400 1.00 0.00 O ATOM 1364 OE2 GLU A 87 9.639 -6.887 13.384 1.00 0.00 O ATOM 0 H GLU A 87 9.043 -2.306 16.752 1.00 0.00 H new ATOM 0 HA GLU A 87 7.050 -3.173 14.832 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.734 -3.153 14.956 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.531 -4.695 15.766 1.00 0.00 H new ATOM 0 HG2 GLU A 87 7.874 -5.175 13.689 1.00 0.00 H new ATOM 0 HG3 GLU A 87 8.852 -3.944 12.915 1.00 0.00 H new ATOM 1371 N ASP A 88 6.950 -4.714 17.613 1.00 0.00 N ATOM 1372 CA ASP A 88 6.248 -5.820 18.333 1.00 0.00 C ATOM 1373 C ASP A 88 4.755 -5.842 17.974 1.00 0.00 C ATOM 1374 O ASP A 88 4.046 -6.770 18.318 1.00 0.00 O ATOM 1375 CB ASP A 88 6.436 -5.508 19.819 1.00 0.00 C ATOM 1376 CG ASP A 88 6.297 -6.795 20.634 1.00 0.00 C ATOM 1377 OD1 ASP A 88 5.173 -7.192 20.891 1.00 0.00 O ATOM 1378 OD2 ASP A 88 7.319 -7.364 20.983 1.00 0.00 O ATOM 0 H ASP A 88 7.380 -4.011 18.214 1.00 0.00 H new ATOM 0 HA ASP A 88 6.647 -6.798 18.064 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.417 -5.063 19.987 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.695 -4.778 20.144 1.00 0.00 H new ATOM 1383 N PHE A 89 4.273 -4.829 17.291 1.00 0.00 N ATOM 1384 CA PHE A 89 2.824 -4.778 16.907 1.00 0.00 C ATOM 1385 C PHE A 89 2.315 -6.162 16.473 1.00 0.00 C ATOM 1386 O PHE A 89 1.515 -6.775 17.149 1.00 0.00 O ATOM 1387 CB PHE A 89 2.775 -3.799 15.729 1.00 0.00 C ATOM 1388 CG PHE A 89 1.376 -3.753 15.158 1.00 0.00 C ATOM 1389 CD1 PHE A 89 0.392 -2.978 15.774 1.00 0.00 C ATOM 1390 CD2 PHE A 89 1.070 -4.486 14.009 1.00 0.00 C ATOM 1391 CE1 PHE A 89 -0.902 -2.933 15.247 1.00 0.00 C ATOM 1392 CE2 PHE A 89 -0.222 -4.447 13.473 1.00 0.00 C ATOM 1393 CZ PHE A 89 -1.225 -3.669 14.087 1.00 0.00 C ATOM 0 H PHE A 89 4.825 -4.030 16.981 1.00 0.00 H new ATOM 0 HA PHE A 89 2.192 -4.468 17.740 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.076 -2.804 16.058 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.482 -4.107 14.959 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.631 -2.411 16.661 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.833 -5.084 13.533 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.658 -2.332 15.730 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.452 -5.016 12.584 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.223 -3.637 13.677 1.00 0.00 H new ATOM 1403 N PHE A 90 2.769 -6.649 15.349 1.00 0.00 N ATOM 1404 CA PHE A 90 2.308 -7.986 14.863 1.00 0.00 C ATOM 1405 C PHE A 90 2.444 -9.051 15.959 1.00 0.00 C ATOM 1406 O PHE A 90 1.633 -9.951 16.064 1.00 0.00 O ATOM 1407 CB PHE A 90 3.227 -8.315 13.685 1.00 0.00 C ATOM 1408 CG PHE A 90 2.758 -7.570 12.461 1.00 0.00 C ATOM 1409 CD1 PHE A 90 1.548 -7.916 11.852 1.00 0.00 C ATOM 1410 CD2 PHE A 90 3.532 -6.535 11.934 1.00 0.00 C ATOM 1411 CE1 PHE A 90 1.112 -7.229 10.713 1.00 0.00 C ATOM 1412 CE2 PHE A 90 3.103 -5.840 10.796 1.00 0.00 C ATOM 1413 CZ PHE A 90 1.885 -6.181 10.173 1.00 0.00 C ATOM 0 H PHE A 90 3.441 -6.178 14.743 1.00 0.00 H new ATOM 0 HA PHE A 90 1.256 -7.970 14.579 1.00 0.00 H new ATOM 0 HB2 PHE A 90 4.254 -8.037 13.922 1.00 0.00 H new ATOM 0 HB3 PHE A 90 3.223 -9.388 13.495 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.948 -8.715 12.261 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.466 -6.269 12.406 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.178 -7.503 10.245 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.707 -5.040 10.394 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.549 -5.648 9.296 1.00 0.00 H new ATOM 1423 N GLN A 91 3.462 -8.961 16.770 1.00 0.00 N ATOM 1424 CA GLN A 91 3.646 -9.975 17.853 1.00 0.00 C ATOM 1425 C GLN A 91 2.532 -9.854 18.901 1.00 0.00 C ATOM 1426 O GLN A 91 2.288 -10.769 19.664 1.00 0.00 O ATOM 1427 CB GLN A 91 5.003 -9.653 18.476 1.00 0.00 C ATOM 1428 CG GLN A 91 5.408 -10.782 19.427 1.00 0.00 C ATOM 1429 CD GLN A 91 5.646 -12.064 18.628 1.00 0.00 C ATOM 1430 OE1 GLN A 91 6.372 -12.059 17.652 1.00 0.00 O ATOM 1431 NE2 GLN A 91 5.062 -13.170 19.001 1.00 0.00 N ATOM 0 H GLN A 91 4.174 -8.232 16.732 1.00 0.00 H new ATOM 0 HA GLN A 91 3.605 -10.994 17.467 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.754 -9.533 17.695 1.00 0.00 H new ATOM 0 HB3 GLN A 91 4.952 -8.708 19.017 1.00 0.00 H new ATOM 0 HG2 GLN A 91 6.312 -10.507 19.970 1.00 0.00 H new ATOM 0 HG3 GLN A 91 4.627 -10.944 20.169 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.453 -13.174 19.819 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.214 -14.030 18.474 1.00 0.00 H new ATOM 1440 N LEU A 92 1.859 -8.734 18.948 1.00 0.00 N ATOM 1441 CA LEU A 92 0.768 -8.560 19.952 1.00 0.00 C ATOM 1442 C LEU A 92 -0.557 -9.100 19.405 1.00 0.00 C ATOM 1443 O LEU A 92 -1.437 -9.479 20.152 1.00 0.00 O ATOM 1444 CB LEU A 92 0.681 -7.050 20.183 1.00 0.00 C ATOM 1445 CG LEU A 92 -0.379 -6.757 21.246 1.00 0.00 C ATOM 1446 CD1 LEU A 92 0.129 -7.213 22.614 1.00 0.00 C ATOM 1447 CD2 LEU A 92 -0.657 -5.252 21.282 1.00 0.00 C ATOM 0 H LEU A 92 2.017 -7.934 18.336 1.00 0.00 H new ATOM 0 HA LEU A 92 0.969 -9.104 20.875 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.649 -6.664 20.503 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.428 -6.543 19.252 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.296 -7.293 21.003 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.627 -7.004 23.371 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.331 -8.284 22.589 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.046 -6.677 22.859 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.412 -5.040 22.039 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.261 -4.718 21.526 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.018 -4.925 20.307 1.00 0.00 H new ATOM 1459 N LEU A 93 -0.709 -9.134 18.107 1.00 0.00 N ATOM 1460 CA LEU A 93 -1.982 -9.648 17.517 1.00 0.00 C ATOM 1461 C LEU A 93 -1.699 -10.868 16.635 1.00 0.00 C ATOM 1462 O LEU A 93 -0.590 -11.075 16.185 1.00 0.00 O ATOM 1463 CB LEU A 93 -2.526 -8.497 16.664 1.00 0.00 C ATOM 1464 CG LEU A 93 -2.641 -7.226 17.510 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -1.428 -6.328 17.251 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -3.919 -6.469 17.131 1.00 0.00 C ATOM 0 H LEU A 93 -0.009 -8.829 17.431 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.691 -9.959 18.284 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.866 -8.320 15.815 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.502 -8.764 16.259 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.678 -7.498 18.565 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.510 -5.423 17.853 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.516 -6.862 17.520 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.393 -6.059 16.195 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.999 -5.565 17.734 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.882 -6.199 16.076 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.786 -7.104 17.313 1.00 0.00 H new ATOM 1478 N GLU A 94 -2.699 -11.670 16.373 1.00 0.00 N ATOM 1479 CA GLU A 94 -2.486 -12.866 15.506 1.00 0.00 C ATOM 1480 C GLU A 94 -2.111 -12.404 14.098 1.00 0.00 C ATOM 1481 O GLU A 94 -2.099 -11.220 13.817 1.00 0.00 O ATOM 1482 CB GLU A 94 -3.830 -13.599 15.495 1.00 0.00 C ATOM 1483 CG GLU A 94 -3.822 -14.696 16.559 1.00 0.00 C ATOM 1484 CD GLU A 94 -5.232 -15.271 16.709 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -5.921 -15.366 15.707 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -5.598 -15.604 17.824 1.00 0.00 O ATOM 0 H GLU A 94 -3.650 -11.549 16.721 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.685 -13.512 15.865 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.641 -12.897 15.688 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.011 -14.033 14.512 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.124 -15.485 16.278 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.479 -14.291 17.511 1.00 0.00 H new ATOM 1493 N ASP A 95 -1.793 -13.307 13.209 1.00 0.00 N ATOM 1494 CA ASP A 95 -1.416 -12.868 11.835 1.00 0.00 C ATOM 1495 C ASP A 95 -2.599 -12.158 11.172 1.00 0.00 C ATOM 1496 O ASP A 95 -3.660 -12.722 10.995 1.00 0.00 O ATOM 1497 CB ASP A 95 -1.069 -14.153 11.083 1.00 0.00 C ATOM 1498 CG ASP A 95 -0.659 -13.814 9.648 1.00 0.00 C ATOM 1499 OD1 ASP A 95 0.108 -12.880 9.478 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -1.119 -14.494 8.745 1.00 0.00 O ATOM 0 H ASP A 95 -1.778 -14.314 13.371 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.582 -12.167 11.839 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -0.257 -14.675 11.590 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.927 -14.826 11.078 1.00 0.00 H new ATOM 1505 N ASP A 96 -2.410 -10.922 10.804 1.00 0.00 N ATOM 1506 CA ASP A 96 -3.503 -10.150 10.145 1.00 0.00 C ATOM 1507 C ASP A 96 -2.934 -8.845 9.586 1.00 0.00 C ATOM 1508 O ASP A 96 -1.782 -8.521 9.811 1.00 0.00 O ATOM 1509 CB ASP A 96 -4.528 -9.868 11.247 1.00 0.00 C ATOM 1510 CG ASP A 96 -3.854 -9.140 12.414 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -3.240 -8.115 12.173 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -3.968 -9.621 13.530 1.00 0.00 O ATOM 0 H ASP A 96 -1.538 -10.408 10.932 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.957 -10.692 9.315 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.343 -9.262 10.851 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.967 -10.803 11.595 1.00 0.00 H new ATOM 1517 N THR A 97 -3.723 -8.076 8.887 1.00 0.00 N ATOM 1518 CA THR A 97 -3.204 -6.785 8.359 1.00 0.00 C ATOM 1519 C THR A 97 -4.067 -5.632 8.873 1.00 0.00 C ATOM 1520 O THR A 97 -5.139 -5.368 8.368 1.00 0.00 O ATOM 1521 CB THR A 97 -3.300 -6.895 6.835 1.00 0.00 C ATOM 1522 OG1 THR A 97 -3.153 -8.256 6.445 1.00 0.00 O ATOM 1523 CG2 THR A 97 -2.191 -6.059 6.192 1.00 0.00 C ATOM 0 H THR A 97 -4.696 -8.284 8.661 1.00 0.00 H new ATOM 0 HA THR A 97 -2.180 -6.591 8.679 1.00 0.00 H new ATOM 0 HB THR A 97 -4.272 -6.526 6.506 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.216 -8.325 5.470 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.259 -6.137 5.107 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.303 -5.016 6.488 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.220 -6.428 6.522 1.00 0.00 H new ATOM 1531 N CYS A 98 -3.594 -4.938 9.872 1.00 0.00 N ATOM 1532 CA CYS A 98 -4.361 -3.789 10.429 1.00 0.00 C ATOM 1533 C CYS A 98 -3.394 -2.674 10.819 1.00 0.00 C ATOM 1534 O CYS A 98 -2.380 -2.921 11.443 1.00 0.00 O ATOM 1535 CB CYS A 98 -5.074 -4.346 11.662 1.00 0.00 C ATOM 1536 SG CYS A 98 -6.433 -3.242 12.122 1.00 0.00 S ATOM 0 H CYS A 98 -2.701 -5.120 10.330 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.069 -3.368 9.715 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -5.457 -5.345 11.454 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.372 -4.440 12.490 1.00 0.00 H new ATOM 0 HG CYS A 98 -7.041 -3.716 13.169 1.00 0.00 H new ATOM 1542 N LEU A 99 -3.684 -1.455 10.461 1.00 0.00 N ATOM 1543 CA LEU A 99 -2.757 -0.346 10.826 1.00 0.00 C ATOM 1544 C LEU A 99 -3.531 0.913 11.219 1.00 0.00 C ATOM 1545 O LEU A 99 -4.523 1.265 10.609 1.00 0.00 O ATOM 1546 CB LEU A 99 -1.929 -0.094 9.565 1.00 0.00 C ATOM 1547 CG LEU A 99 -0.637 0.640 9.941 1.00 0.00 C ATOM 1548 CD1 LEU A 99 0.572 -0.133 9.403 1.00 0.00 C ATOM 1549 CD2 LEU A 99 -0.653 2.044 9.330 1.00 0.00 C ATOM 0 H LEU A 99 -4.514 -1.179 9.937 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.137 -0.604 11.685 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.694 -1.040 9.076 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.503 0.499 8.853 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.567 0.712 11.026 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.489 0.392 9.672 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.586 -1.133 9.836 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.502 -0.208 8.318 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.265 2.567 9.597 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.725 1.968 8.245 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.510 2.598 9.713 1.00 0.00 H new ATOM 1561 N MET A 100 -3.067 1.600 12.224 1.00 0.00 N ATOM 1562 CA MET A 100 -3.745 2.852 12.661 1.00 0.00 C ATOM 1563 C MET A 100 -2.687 3.900 13.008 1.00 0.00 C ATOM 1564 O MET A 100 -1.721 3.611 13.689 1.00 0.00 O ATOM 1565 CB MET A 100 -4.553 2.462 13.900 1.00 0.00 C ATOM 1566 CG MET A 100 -5.606 3.539 14.185 1.00 0.00 C ATOM 1567 SD MET A 100 -7.231 2.764 14.393 1.00 0.00 S ATOM 1568 CE MET A 100 -6.895 1.956 15.976 1.00 0.00 C ATOM 0 H MET A 100 -2.241 1.346 12.766 1.00 0.00 H new ATOM 0 HA MET A 100 -4.387 3.278 11.890 1.00 0.00 H new ATOM 0 HB2 MET A 100 -5.037 1.498 13.743 1.00 0.00 H new ATOM 0 HB3 MET A 100 -3.891 2.350 14.758 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.339 4.093 15.085 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.637 4.257 13.365 1.00 0.00 H new ATOM 0 HE1 MET A 100 -7.732 1.309 16.239 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.987 1.359 15.894 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.763 2.712 16.750 1.00 0.00 H new ATOM 1578 N VAL A 101 -2.853 5.107 12.544 1.00 0.00 N ATOM 1579 CA VAL A 101 -1.842 6.163 12.845 1.00 0.00 C ATOM 1580 C VAL A 101 -2.534 7.474 13.223 1.00 0.00 C ATOM 1581 O VAL A 101 -3.190 8.099 12.414 1.00 0.00 O ATOM 1582 CB VAL A 101 -1.053 6.320 11.542 1.00 0.00 C ATOM 1583 CG1 VAL A 101 -0.045 7.468 11.671 1.00 0.00 C ATOM 1584 CG2 VAL A 101 -0.308 5.016 11.243 1.00 0.00 C ATOM 0 H VAL A 101 -3.641 5.409 11.971 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.200 5.900 13.686 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.744 6.546 10.729 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.511 7.571 10.739 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.576 8.396 11.881 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.648 7.254 12.485 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.255 5.123 10.316 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.378 4.793 12.060 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.026 4.202 11.139 1.00 0.00 H new ATOM 1594 N LEU A 102 -2.380 7.897 14.448 1.00 0.00 N ATOM 1595 CA LEU A 102 -3.016 9.171 14.889 1.00 0.00 C ATOM 1596 C LEU A 102 -2.126 9.873 15.921 1.00 0.00 C ATOM 1597 O LEU A 102 -1.128 9.339 16.359 1.00 0.00 O ATOM 1598 CB LEU A 102 -4.351 8.759 15.512 1.00 0.00 C ATOM 1599 CG LEU A 102 -4.109 7.763 16.645 1.00 0.00 C ATOM 1600 CD1 LEU A 102 -5.198 7.923 17.706 1.00 0.00 C ATOM 1601 CD2 LEU A 102 -4.148 6.339 16.090 1.00 0.00 C ATOM 0 H LEU A 102 -1.839 7.413 15.165 1.00 0.00 H new ATOM 0 HA LEU A 102 -3.157 9.870 14.065 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.871 9.638 15.893 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.994 8.312 14.754 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.133 7.953 17.092 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.026 7.212 18.514 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.173 8.938 18.103 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.173 7.733 17.258 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.975 5.629 16.898 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.124 6.149 15.643 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.373 6.222 15.333 1.00 0.00 H new ATOM 1613 N GLN A 103 -2.488 11.065 16.314 1.00 0.00 N ATOM 1614 CA GLN A 103 -1.670 11.800 17.322 1.00 0.00 C ATOM 1615 C GLN A 103 -2.000 11.294 18.730 1.00 0.00 C ATOM 1616 O GLN A 103 -2.869 10.465 18.911 1.00 0.00 O ATOM 1617 CB GLN A 103 -2.073 13.268 17.168 1.00 0.00 C ATOM 1618 CG GLN A 103 -0.987 14.163 17.769 1.00 0.00 C ATOM 1619 CD GLN A 103 -1.109 15.574 17.194 1.00 0.00 C ATOM 1620 OE1 GLN A 103 -2.040 16.289 17.502 1.00 0.00 O ATOM 1621 NE2 GLN A 103 -0.197 16.009 16.366 1.00 0.00 N ATOM 0 H GLN A 103 -3.314 11.561 15.981 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.600 11.658 17.173 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.215 13.508 16.114 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.025 13.449 17.667 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.085 14.192 18.854 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.001 13.754 17.549 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.585 15.408 16.107 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.267 16.950 15.978 1.00 0.00 H new ATOM 1630 N SER A 104 -1.303 11.785 19.726 1.00 0.00 N ATOM 1631 CA SER A 104 -1.563 11.336 21.133 1.00 0.00 C ATOM 1632 C SER A 104 -3.068 11.279 21.419 1.00 0.00 C ATOM 1633 O SER A 104 -3.867 11.863 20.712 1.00 0.00 O ATOM 1634 CB SER A 104 -0.894 12.391 22.012 1.00 0.00 C ATOM 1635 OG SER A 104 -1.522 13.648 21.797 1.00 0.00 O ATOM 0 H SER A 104 -0.563 12.480 19.626 1.00 0.00 H new ATOM 0 HA SER A 104 -1.174 10.335 21.318 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.971 12.108 23.062 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.168 12.457 21.776 1.00 0.00 H new ATOM 0 HG SER A 104 -1.096 14.327 22.361 1.00 0.00 H new ATOM 1641 N GLY A 105 -3.458 10.575 22.447 1.00 0.00 N ATOM 1642 CA GLY A 105 -4.907 10.472 22.779 1.00 0.00 C ATOM 1643 C GLY A 105 -5.508 9.265 22.056 1.00 0.00 C ATOM 1644 O GLY A 105 -6.056 9.384 20.978 1.00 0.00 O ATOM 0 H GLY A 105 -2.834 10.066 23.072 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.038 10.367 23.856 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.425 11.384 22.482 1.00 0.00 H new ATOM 1648 N GLN A 106 -5.405 8.102 22.641 1.00 0.00 N ATOM 1649 CA GLN A 106 -5.965 6.881 21.990 1.00 0.00 C ATOM 1650 C GLN A 106 -7.477 6.807 22.218 1.00 0.00 C ATOM 1651 O GLN A 106 -7.976 7.194 23.257 1.00 0.00 O ATOM 1652 CB GLN A 106 -5.260 5.709 22.673 1.00 0.00 C ATOM 1653 CG GLN A 106 -5.562 4.417 21.913 1.00 0.00 C ATOM 1654 CD GLN A 106 -4.896 3.240 22.626 1.00 0.00 C ATOM 1655 OE1 GLN A 106 -4.199 2.459 22.013 1.00 0.00 O ATOM 1656 NE2 GLN A 106 -5.085 3.081 23.908 1.00 0.00 N ATOM 0 H GLN A 106 -4.956 7.944 23.543 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.807 6.878 20.912 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.185 5.884 22.700 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.595 5.622 23.707 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.639 4.259 21.856 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.196 4.490 20.889 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.671 3.738 24.422 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -4.646 2.300 24.395 1.00 0.00 H new ATOM 1665 N SER A 107 -8.211 6.317 21.253 1.00 0.00 N ATOM 1666 CA SER A 107 -9.690 6.224 21.417 1.00 0.00 C ATOM 1667 C SER A 107 -10.223 4.916 20.823 1.00 0.00 C ATOM 1668 O SER A 107 -9.766 4.455 19.794 1.00 0.00 O ATOM 1669 CB SER A 107 -10.248 7.423 20.650 1.00 0.00 C ATOM 1670 OG SER A 107 -9.443 8.565 20.914 1.00 0.00 O ATOM 0 H SER A 107 -7.850 5.978 20.361 1.00 0.00 H new ATOM 0 HA SER A 107 -9.983 6.231 22.467 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.260 7.212 19.581 1.00 0.00 H new ATOM 0 HB3 SER A 107 -11.279 7.613 20.949 1.00 0.00 H new ATOM 0 HG SER A 107 -9.797 9.335 20.423 1.00 0.00 H new