USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 308 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 42 LYS NZ :NH3+ 150:sc= -0.0554 (180deg=-1.13) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0584 X(o=-0.058,f=-0.056) USER MOD Single : A 50 THR OG1 : rot -75:sc= 1.21! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0861 K(o=-0.086,f=-1.9) USER MOD Single : A 54 GLN : amide:sc=-0.00465 K(o=-0.0047,f=-3.1!) USER MOD Single : A 57 CYS SG : rot 101:sc= 0.299 USER MOD Single : A 62 HIS : no HD1:sc= -0.266 X(o=-0.27,f=-0.0011) USER MOD Single : A 64 CYS SG : rot -76:sc= -1.51 USER MOD Single : A 65 ASN : amide:sc= -0.431 K(o=-0.43,f=-3.2!) USER MOD Single : A 69 ASN : amide:sc= -0.196 X(o=-0.2,f=-0.055) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 527 N ALA A 37 -5.025 -10.417 9.437 1.00 0.00 N ATOM 528 CA ALA A 37 -5.183 -9.770 10.728 1.00 0.00 C ATOM 529 C ALA A 37 -3.926 -8.956 11.043 1.00 0.00 C ATOM 530 O ALA A 37 -4.006 -7.901 11.669 1.00 0.00 O ATOM 531 CB ALA A 37 -5.477 -10.825 11.796 1.00 0.00 C ATOM 0 HA ALA A 37 -6.027 -9.080 10.711 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.595 -10.339 12.765 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.395 -11.355 11.541 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.650 -11.534 11.844 1.00 0.00 H new ATOM 537 N ASP A 38 -2.794 -9.479 10.595 1.00 0.00 N ATOM 538 CA ASP A 38 -1.522 -8.814 10.821 1.00 0.00 C ATOM 539 C ASP A 38 -1.642 -7.342 10.421 1.00 0.00 C ATOM 540 O ASP A 38 -1.574 -6.456 11.271 1.00 0.00 O ATOM 541 CB ASP A 38 -0.413 -9.445 9.976 1.00 0.00 C ATOM 542 CG ASP A 38 -0.152 -10.927 10.255 1.00 0.00 C ATOM 543 OD1 ASP A 38 0.573 -11.201 11.235 1.00 0.00 O ATOM 544 OD2 ASP A 38 -0.683 -11.752 9.480 1.00 0.00 O ATOM 0 H ASP A 38 -2.731 -10.355 10.077 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.272 -8.914 11.877 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.668 -9.328 8.923 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.511 -8.891 10.143 1.00 0.00 H new ATOM 549 N PHE A 39 -1.819 -7.127 9.125 1.00 0.00 N ATOM 550 CA PHE A 39 -1.949 -5.778 8.602 1.00 0.00 C ATOM 551 C PHE A 39 -2.997 -4.985 9.385 1.00 0.00 C ATOM 552 O PHE A 39 -2.786 -3.815 9.701 1.00 0.00 O ATOM 553 CB PHE A 39 -2.405 -5.905 7.147 1.00 0.00 C ATOM 554 CG PHE A 39 -2.516 -4.568 6.411 1.00 0.00 C ATOM 555 CD1 PHE A 39 -3.628 -3.800 6.562 1.00 0.00 C ATOM 556 CD2 PHE A 39 -1.504 -4.148 5.606 1.00 0.00 C ATOM 557 CE1 PHE A 39 -3.732 -2.559 5.879 1.00 0.00 C ATOM 558 CE2 PHE A 39 -1.608 -2.907 4.923 1.00 0.00 C ATOM 559 CZ PHE A 39 -2.720 -2.139 5.074 1.00 0.00 C ATOM 0 H PHE A 39 -1.875 -7.864 8.422 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.998 -5.253 8.686 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.704 -6.546 6.612 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.374 -6.403 7.123 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.432 -4.134 7.201 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.621 -4.758 5.486 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.615 -1.949 5.999 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.804 -2.573 4.284 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.799 -1.195 4.555 1.00 0.00 H new ATOM 569 N GLU A 40 -4.103 -5.653 9.676 1.00 0.00 N ATOM 570 CA GLU A 40 -5.184 -5.026 10.416 1.00 0.00 C ATOM 571 C GLU A 40 -4.649 -4.387 11.699 1.00 0.00 C ATOM 572 O GLU A 40 -4.795 -3.183 11.905 1.00 0.00 O ATOM 573 CB GLU A 40 -6.293 -6.033 10.726 1.00 0.00 C ATOM 574 CG GLU A 40 -7.320 -6.085 9.593 1.00 0.00 C ATOM 575 CD GLU A 40 -8.576 -6.845 10.026 1.00 0.00 C ATOM 576 OE1 GLU A 40 -9.441 -6.200 10.656 1.00 0.00 O ATOM 577 OE2 GLU A 40 -8.641 -8.054 9.716 1.00 0.00 O ATOM 0 H GLU A 40 -4.274 -6.623 9.412 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.615 -4.241 9.795 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.860 -7.022 10.874 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.788 -5.759 11.658 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.589 -5.072 9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.880 -6.569 8.721 1.00 0.00 H new ATOM 584 N GLU A 41 -4.040 -5.222 12.528 1.00 0.00 N ATOM 585 CA GLU A 41 -3.481 -4.753 13.785 1.00 0.00 C ATOM 586 C GLU A 41 -2.550 -3.564 13.542 1.00 0.00 C ATOM 587 O GLU A 41 -2.486 -2.645 14.357 1.00 0.00 O ATOM 588 CB GLU A 41 -2.750 -5.882 14.514 1.00 0.00 C ATOM 589 CG GLU A 41 -3.454 -6.234 15.826 1.00 0.00 C ATOM 590 CD GLU A 41 -2.807 -5.507 17.007 1.00 0.00 C ATOM 591 OE1 GLU A 41 -3.242 -4.367 17.279 1.00 0.00 O ATOM 592 OE2 GLU A 41 -1.893 -6.108 17.612 1.00 0.00 O ATOM 0 H GLU A 41 -3.921 -6.220 12.354 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.300 -4.422 14.424 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.704 -6.763 13.874 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.722 -5.582 14.718 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.508 -5.964 15.761 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.410 -7.311 15.989 1.00 0.00 H new ATOM 599 N LYS A 42 -1.852 -3.620 12.417 1.00 0.00 N ATOM 600 CA LYS A 42 -0.927 -2.559 12.057 1.00 0.00 C ATOM 601 C LYS A 42 -1.713 -1.276 11.780 1.00 0.00 C ATOM 602 O LYS A 42 -1.414 -0.226 12.348 1.00 0.00 O ATOM 603 CB LYS A 42 -0.036 -2.998 10.893 1.00 0.00 C ATOM 604 CG LYS A 42 1.045 -3.971 11.367 1.00 0.00 C ATOM 605 CD LYS A 42 2.263 -3.931 10.441 1.00 0.00 C ATOM 606 CE LYS A 42 3.350 -4.893 10.924 1.00 0.00 C ATOM 607 NZ LYS A 42 4.674 -4.232 10.900 1.00 0.00 N ATOM 0 H LYS A 42 -1.909 -4.384 11.743 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.250 -2.346 12.884 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.645 -3.472 10.123 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.430 -2.124 10.438 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.348 -3.717 12.383 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.640 -4.983 11.398 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.962 -4.195 9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.661 -2.917 10.401 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.123 -5.229 11.936 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.368 -5.779 10.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.277 -4.635 11.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.121 -4.384 9.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.556 -3.212 11.064 1.00 0.00 H new ATOM 621 N VAL A 43 -2.702 -1.402 10.908 1.00 0.00 N ATOM 622 CA VAL A 43 -3.533 -0.265 10.549 1.00 0.00 C ATOM 623 C VAL A 43 -3.912 0.504 11.816 1.00 0.00 C ATOM 624 O VAL A 43 -3.735 1.719 11.885 1.00 0.00 O ATOM 625 CB VAL A 43 -4.749 -0.738 9.750 1.00 0.00 C ATOM 626 CG1 VAL A 43 -5.736 0.409 9.524 1.00 0.00 C ATOM 627 CG2 VAL A 43 -4.322 -1.364 8.420 1.00 0.00 C ATOM 0 H VAL A 43 -2.947 -2.274 10.439 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.984 0.421 9.904 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.256 -1.506 10.334 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.591 0.046 8.954 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.077 0.790 10.486 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.244 1.209 8.971 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.205 -1.692 7.872 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.781 -0.626 7.828 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.676 -2.220 8.612 1.00 0.00 H new ATOM 637 N LYS A 44 -4.427 -0.236 12.787 1.00 0.00 N ATOM 638 CA LYS A 44 -4.833 0.361 14.048 1.00 0.00 C ATOM 639 C LYS A 44 -3.632 1.062 14.685 1.00 0.00 C ATOM 640 O LYS A 44 -3.751 2.185 15.173 1.00 0.00 O ATOM 641 CB LYS A 44 -5.484 -0.687 14.952 1.00 0.00 C ATOM 642 CG LYS A 44 -6.969 -0.849 14.623 1.00 0.00 C ATOM 643 CD LYS A 44 -7.624 -1.887 15.537 1.00 0.00 C ATOM 644 CE LYS A 44 -7.732 -1.365 16.971 1.00 0.00 C ATOM 645 NZ LYS A 44 -9.101 -1.568 17.495 1.00 0.00 N ATOM 0 H LYS A 44 -4.572 -1.244 12.726 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.595 1.122 13.881 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.975 -1.643 14.831 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.369 -0.394 15.996 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.476 0.109 14.734 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.083 -1.152 13.582 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.617 -2.134 15.160 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.041 -2.808 15.524 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.013 -1.881 17.607 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.479 -0.305 16.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.157 -1.208 18.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.781 -1.056 16.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.329 -2.583 17.487 1.00 0.00 H new ATOM 659 N GLN A 45 -2.502 0.370 14.661 1.00 0.00 N ATOM 660 CA GLN A 45 -1.280 0.913 15.230 1.00 0.00 C ATOM 661 C GLN A 45 -0.947 2.260 14.586 1.00 0.00 C ATOM 662 O GLN A 45 -0.493 3.181 15.264 1.00 0.00 O ATOM 663 CB GLN A 45 -0.119 -0.071 15.075 1.00 0.00 C ATOM 664 CG GLN A 45 0.165 -0.796 16.392 1.00 0.00 C ATOM 665 CD GLN A 45 1.494 -0.338 16.995 1.00 0.00 C ATOM 666 OE1 GLN A 45 2.568 -0.698 16.543 1.00 0.00 O ATOM 667 NE2 GLN A 45 1.363 0.476 18.039 1.00 0.00 N ATOM 0 H GLN A 45 -2.407 -0.562 14.257 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.438 1.072 16.297 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.356 -0.799 14.299 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.774 0.463 14.750 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.643 -0.605 17.098 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.191 -1.872 16.220 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.434 0.739 18.367 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.192 0.837 18.511 1.00 0.00 H new ATOM 676 N LEU A 46 -1.184 2.333 13.285 1.00 0.00 N ATOM 677 CA LEU A 46 -0.915 3.552 12.542 1.00 0.00 C ATOM 678 C LEU A 46 -1.782 4.684 13.096 1.00 0.00 C ATOM 679 O LEU A 46 -1.297 5.792 13.315 1.00 0.00 O ATOM 680 CB LEU A 46 -1.096 3.316 11.041 1.00 0.00 C ATOM 681 CG LEU A 46 0.050 2.591 10.333 1.00 0.00 C ATOM 682 CD1 LEU A 46 -0.375 2.123 8.940 1.00 0.00 C ATOM 683 CD2 LEU A 46 1.306 3.463 10.287 1.00 0.00 C ATOM 0 H LEU A 46 -1.560 1.567 12.726 1.00 0.00 H new ATOM 0 HA LEU A 46 0.124 3.855 12.670 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.010 2.742 10.891 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.243 4.281 10.557 1.00 0.00 H new ATOM 0 HG LEU A 46 0.299 1.700 10.910 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.458 1.611 8.458 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.219 1.439 9.028 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.667 2.985 8.340 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.105 2.924 9.778 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.089 4.385 9.747 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.620 3.703 11.303 1.00 0.00 H new ATOM 695 N ILE A 47 -3.051 4.365 13.306 1.00 0.00 N ATOM 696 CA ILE A 47 -3.991 5.341 13.829 1.00 0.00 C ATOM 697 C ILE A 47 -3.537 5.784 15.222 1.00 0.00 C ATOM 698 O ILE A 47 -3.318 6.970 15.459 1.00 0.00 O ATOM 699 CB ILE A 47 -5.416 4.785 13.795 1.00 0.00 C ATOM 700 CG1 ILE A 47 -6.043 4.970 12.412 1.00 0.00 C ATOM 701 CG2 ILE A 47 -6.274 5.405 14.900 1.00 0.00 C ATOM 702 CD1 ILE A 47 -7.359 4.196 12.298 1.00 0.00 C ATOM 0 H ILE A 47 -3.450 3.444 13.123 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.006 6.231 13.199 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.369 3.713 13.987 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.223 6.029 12.229 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.348 4.628 11.645 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.282 4.992 14.853 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.835 5.179 15.872 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.318 6.486 14.764 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.784 4.345 11.305 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.172 3.134 12.457 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.060 4.557 13.050 1.00 0.00 H new ATOM 714 N ASP A 48 -3.410 4.805 16.107 1.00 0.00 N ATOM 715 CA ASP A 48 -2.986 5.079 17.469 1.00 0.00 C ATOM 716 C ASP A 48 -1.695 5.899 17.442 1.00 0.00 C ATOM 717 O ASP A 48 -1.549 6.859 18.197 1.00 0.00 O ATOM 718 CB ASP A 48 -2.707 3.782 18.230 1.00 0.00 C ATOM 719 CG ASP A 48 -3.703 3.459 19.346 1.00 0.00 C ATOM 720 OD1 ASP A 48 -4.433 4.393 19.742 1.00 0.00 O ATOM 721 OD2 ASP A 48 -3.710 2.287 19.779 1.00 0.00 O ATOM 0 H ASP A 48 -3.593 3.822 15.907 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.787 5.625 17.968 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.701 2.956 17.519 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.708 3.839 18.661 1.00 0.00 H new ATOM 726 N ILE A 49 -0.790 5.490 16.565 1.00 0.00 N ATOM 727 CA ILE A 49 0.484 6.174 16.430 1.00 0.00 C ATOM 728 C ILE A 49 0.248 7.574 15.857 1.00 0.00 C ATOM 729 O ILE A 49 0.415 8.571 16.558 1.00 0.00 O ATOM 730 CB ILE A 49 1.461 5.331 15.608 1.00 0.00 C ATOM 731 CG1 ILE A 49 1.883 4.077 16.376 1.00 0.00 C ATOM 732 CG2 ILE A 49 2.665 6.163 15.164 1.00 0.00 C ATOM 733 CD1 ILE A 49 2.231 2.937 15.417 1.00 0.00 C ATOM 0 H ILE A 49 -0.914 4.693 15.941 1.00 0.00 H new ATOM 0 HA ILE A 49 0.952 6.302 17.406 1.00 0.00 H new ATOM 0 HB ILE A 49 0.949 4.999 14.705 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.744 4.304 17.004 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.077 3.765 17.040 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.343 5.539 14.582 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.324 6.998 14.552 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.187 6.545 16.041 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.528 2.058 15.989 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.360 2.696 14.807 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.053 3.244 14.771 1.00 0.00 H new ATOM 745 N THR A 50 -0.135 7.603 14.590 1.00 0.00 N ATOM 746 CA THR A 50 -0.396 8.863 13.916 1.00 0.00 C ATOM 747 C THR A 50 -1.811 9.353 14.228 1.00 0.00 C ATOM 748 O THR A 50 -1.987 10.342 14.938 1.00 0.00 O ATOM 749 CB THR A 50 -0.139 8.662 12.421 1.00 0.00 C ATOM 750 OG1 THR A 50 -1.200 7.810 11.998 1.00 0.00 O ATOM 751 CG2 THR A 50 1.126 7.845 12.149 1.00 0.00 C ATOM 0 H THR A 50 -0.271 6.774 14.012 1.00 0.00 H new ATOM 0 HA THR A 50 0.271 9.647 14.273 1.00 0.00 H new ATOM 0 HB THR A 50 -0.056 9.633 11.933 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.029 6.896 12.308 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.262 7.732 11.073 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.989 8.359 12.572 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.029 6.861 12.608 1.00 0.00 H new ATOM 759 N GLY A 51 -2.784 8.638 13.682 1.00 0.00 N ATOM 760 CA GLY A 51 -4.179 8.987 13.894 1.00 0.00 C ATOM 761 C GLY A 51 -4.804 9.546 12.614 1.00 0.00 C ATOM 762 O GLY A 51 -5.833 10.219 12.664 1.00 0.00 O ATOM 0 H GLY A 51 -2.634 7.819 13.093 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.733 8.106 14.219 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.256 9.725 14.693 1.00 0.00 H new ATOM 766 N LYS A 52 -4.156 9.247 11.498 1.00 0.00 N ATOM 767 CA LYS A 52 -4.636 9.712 10.207 1.00 0.00 C ATOM 768 C LYS A 52 -5.848 8.877 9.788 1.00 0.00 C ATOM 769 O LYS A 52 -6.097 7.811 10.350 1.00 0.00 O ATOM 770 CB LYS A 52 -3.502 9.708 9.181 1.00 0.00 C ATOM 771 CG LYS A 52 -2.378 10.657 9.602 1.00 0.00 C ATOM 772 CD LYS A 52 -2.777 12.116 9.372 1.00 0.00 C ATOM 773 CE LYS A 52 -1.544 12.992 9.146 1.00 0.00 C ATOM 774 NZ LYS A 52 -1.873 14.130 8.258 1.00 0.00 N ATOM 0 H LYS A 52 -3.303 8.689 11.460 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.970 10.747 10.275 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.108 8.697 9.073 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.888 10.006 8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.142 10.502 10.655 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.474 10.430 9.036 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.439 12.184 8.509 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.336 12.484 10.232 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.174 13.364 10.102 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.744 12.398 8.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.025 14.715 8.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.204 13.770 7.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.621 14.706 8.694 1.00 0.00 H new ATOM 788 N ASN A 53 -6.570 9.392 8.804 1.00 0.00 N ATOM 789 CA ASN A 53 -7.749 8.707 8.303 1.00 0.00 C ATOM 790 C ASN A 53 -7.441 7.217 8.149 1.00 0.00 C ATOM 791 O ASN A 53 -6.552 6.838 7.388 1.00 0.00 O ATOM 792 CB ASN A 53 -8.160 9.249 6.932 1.00 0.00 C ATOM 793 CG ASN A 53 -8.598 10.712 7.029 1.00 0.00 C ATOM 794 OD1 ASN A 53 -8.504 11.347 8.066 1.00 0.00 O ATOM 795 ND2 ASN A 53 -9.080 11.209 5.894 1.00 0.00 N ATOM 0 H ASN A 53 -6.361 10.276 8.340 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.560 8.869 9.013 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.325 9.161 6.237 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.975 8.648 6.529 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.399 12.177 5.856 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.131 10.622 5.061 1.00 0.00 H new ATOM 802 N GLN A 54 -8.194 6.411 8.883 1.00 0.00 N ATOM 803 CA GLN A 54 -8.013 4.970 8.838 1.00 0.00 C ATOM 804 C GLN A 54 -7.722 4.516 7.406 1.00 0.00 C ATOM 805 O GLN A 54 -6.720 3.850 7.154 1.00 0.00 O ATOM 806 CB GLN A 54 -9.235 4.245 9.406 1.00 0.00 C ATOM 807 CG GLN A 54 -8.890 2.805 9.788 1.00 0.00 C ATOM 808 CD GLN A 54 -9.924 2.232 10.758 1.00 0.00 C ATOM 809 OE1 GLN A 54 -9.883 2.460 11.956 1.00 0.00 O ATOM 810 NE2 GLN A 54 -10.853 1.477 10.177 1.00 0.00 N ATOM 0 H GLN A 54 -8.931 6.729 9.512 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.157 4.712 9.461 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.604 4.779 10.282 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.038 4.247 8.669 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.847 2.188 8.891 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.901 2.773 10.245 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.830 1.326 9.169 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.588 1.049 10.740 1.00 0.00 H new ATOM 819 N ASP A 55 -8.618 4.895 6.506 1.00 0.00 N ATOM 820 CA ASP A 55 -8.470 4.536 5.106 1.00 0.00 C ATOM 821 C ASP A 55 -7.039 4.835 4.655 1.00 0.00 C ATOM 822 O ASP A 55 -6.335 3.944 4.182 1.00 0.00 O ATOM 823 CB ASP A 55 -9.423 5.347 4.226 1.00 0.00 C ATOM 824 CG ASP A 55 -9.729 6.757 4.733 1.00 0.00 C ATOM 825 OD1 ASP A 55 -10.544 6.857 5.676 1.00 0.00 O ATOM 826 OD2 ASP A 55 -9.141 7.704 4.167 1.00 0.00 O ATOM 0 H ASP A 55 -9.449 5.447 6.719 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.700 3.475 5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.995 5.422 3.226 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.361 4.800 4.132 1.00 0.00 H new ATOM 831 N GLU A 56 -6.652 6.091 4.819 1.00 0.00 N ATOM 832 CA GLU A 56 -5.317 6.519 4.434 1.00 0.00 C ATOM 833 C GLU A 56 -4.268 5.570 5.017 1.00 0.00 C ATOM 834 O GLU A 56 -3.398 5.083 4.296 1.00 0.00 O ATOM 835 CB GLU A 56 -5.057 7.961 4.872 1.00 0.00 C ATOM 836 CG GLU A 56 -5.889 8.944 4.047 1.00 0.00 C ATOM 837 CD GLU A 56 -5.084 9.486 2.863 1.00 0.00 C ATOM 838 OE1 GLU A 56 -4.962 8.737 1.870 1.00 0.00 O ATOM 839 OE2 GLU A 56 -4.610 10.636 2.979 1.00 0.00 O ATOM 0 H GLU A 56 -7.239 6.826 5.213 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.244 6.486 3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.299 8.073 5.929 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.998 8.193 4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.789 8.448 3.683 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.214 9.770 4.679 1.00 0.00 H new ATOM 846 N CYS A 57 -4.383 5.338 6.316 1.00 0.00 N ATOM 847 CA CYS A 57 -3.455 4.457 7.004 1.00 0.00 C ATOM 848 C CYS A 57 -3.354 3.152 6.212 1.00 0.00 C ATOM 849 O CYS A 57 -2.256 2.679 5.925 1.00 0.00 O ATOM 850 CB CYS A 57 -3.875 4.213 8.455 1.00 0.00 C ATOM 851 SG CYS A 57 -3.973 5.804 9.354 1.00 0.00 S ATOM 0 H CYS A 57 -5.105 5.745 6.911 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.473 4.928 7.054 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.842 3.710 8.483 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.158 3.553 8.944 1.00 0.00 H new ATOM 0 HG CYS A 57 -5.216 6.172 9.450 1.00 0.00 H new ATOM 857 N VAL A 58 -4.516 2.607 5.881 1.00 0.00 N ATOM 858 CA VAL A 58 -4.573 1.366 5.127 1.00 0.00 C ATOM 859 C VAL A 58 -3.809 1.537 3.812 1.00 0.00 C ATOM 860 O VAL A 58 -2.896 0.768 3.516 1.00 0.00 O ATOM 861 CB VAL A 58 -6.029 0.945 4.922 1.00 0.00 C ATOM 862 CG1 VAL A 58 -6.120 -0.300 4.037 1.00 0.00 C ATOM 863 CG2 VAL A 58 -6.728 0.716 6.264 1.00 0.00 C ATOM 0 H VAL A 58 -5.425 3.002 6.121 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.091 0.560 5.681 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.544 1.758 4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.166 -0.578 3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.677 -0.088 3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.582 -1.122 4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.762 0.418 6.090 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.211 -0.071 6.814 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.710 1.638 6.846 1.00 0.00 H new ATOM 873 N ILE A 59 -4.210 2.551 3.060 1.00 0.00 N ATOM 874 CA ILE A 59 -3.575 2.833 1.784 1.00 0.00 C ATOM 875 C ILE A 59 -2.066 2.980 1.991 1.00 0.00 C ATOM 876 O ILE A 59 -1.275 2.382 1.264 1.00 0.00 O ATOM 877 CB ILE A 59 -4.226 4.047 1.118 1.00 0.00 C ATOM 878 CG1 ILE A 59 -5.660 3.733 0.687 1.00 0.00 C ATOM 879 CG2 ILE A 59 -3.375 4.555 -0.048 1.00 0.00 C ATOM 880 CD1 ILE A 59 -6.652 4.700 1.337 1.00 0.00 C ATOM 0 H ILE A 59 -4.967 3.188 3.310 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.723 2.003 1.094 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.279 4.851 1.852 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.740 3.799 -0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.911 2.709 0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.860 5.418 -0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.390 4.844 0.319 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.267 3.765 -0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.664 4.455 1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.586 4.614 2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.413 5.721 1.039 1.00 0.00 H new ATOM 892 N ALA A 60 -1.714 3.780 2.987 1.00 0.00 N ATOM 893 CA ALA A 60 -0.314 4.014 3.300 1.00 0.00 C ATOM 894 C ALA A 60 0.367 2.677 3.599 1.00 0.00 C ATOM 895 O ALA A 60 1.309 2.288 2.910 1.00 0.00 O ATOM 896 CB ALA A 60 -0.209 4.996 4.468 1.00 0.00 C ATOM 0 H ALA A 60 -2.374 4.274 3.588 1.00 0.00 H new ATOM 0 HA ALA A 60 0.200 4.463 2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.841 5.171 4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.682 5.939 4.194 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.711 4.578 5.341 1.00 0.00 H new ATOM 902 N LEU A 61 -0.136 2.010 4.628 1.00 0.00 N ATOM 903 CA LEU A 61 0.412 0.725 5.027 1.00 0.00 C ATOM 904 C LEU A 61 0.607 -0.149 3.786 1.00 0.00 C ATOM 905 O LEU A 61 1.728 -0.550 3.475 1.00 0.00 O ATOM 906 CB LEU A 61 -0.464 0.079 6.102 1.00 0.00 C ATOM 907 CG LEU A 61 0.175 -1.066 6.890 1.00 0.00 C ATOM 908 CD1 LEU A 61 1.575 -0.684 7.376 1.00 0.00 C ATOM 909 CD2 LEU A 61 -0.729 -1.512 8.040 1.00 0.00 C ATOM 0 H LEU A 61 -0.917 2.336 5.197 1.00 0.00 H new ATOM 0 HA LEU A 61 1.393 0.855 5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.769 0.852 6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.371 -0.295 5.627 1.00 0.00 H new ATOM 0 HG LEU A 61 0.289 -1.919 6.221 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.006 -1.516 7.933 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.208 -0.455 6.519 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.509 0.191 8.023 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.251 -2.327 8.584 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.897 -0.674 8.716 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.684 -1.853 7.641 1.00 0.00 H new ATOM 921 N HIS A 62 -0.501 -0.419 3.111 1.00 0.00 N ATOM 922 CA HIS A 62 -0.465 -1.237 1.912 1.00 0.00 C ATOM 923 C HIS A 62 0.552 -0.660 0.926 1.00 0.00 C ATOM 924 O HIS A 62 1.475 -1.355 0.502 1.00 0.00 O ATOM 925 CB HIS A 62 -1.864 -1.376 1.307 1.00 0.00 C ATOM 926 CG HIS A 62 -1.892 -2.102 -0.017 1.00 0.00 C ATOM 927 ND1 HIS A 62 -2.316 -3.414 -0.143 1.00 0.00 N ATOM 928 CD2 HIS A 62 -1.545 -1.687 -1.269 1.00 0.00 C ATOM 929 CE1 HIS A 62 -2.223 -3.762 -1.418 1.00 0.00 C ATOM 930 NE2 HIS A 62 -1.745 -2.691 -2.114 1.00 0.00 N ATOM 0 H HIS A 62 -1.429 -0.085 3.372 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.140 -2.246 2.166 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.503 -1.906 2.014 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.291 -0.382 1.174 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.171 -0.708 -1.529 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.481 -4.725 -1.833 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.570 -2.666 -3.119 1.00 0.00 H new ATOM 938 N ASP A 63 0.350 0.605 0.589 1.00 0.00 N ATOM 939 CA ASP A 63 1.238 1.284 -0.339 1.00 0.00 C ATOM 940 C ASP A 63 2.686 0.902 -0.025 1.00 0.00 C ATOM 941 O ASP A 63 3.420 0.457 -0.906 1.00 0.00 O ATOM 942 CB ASP A 63 1.112 2.803 -0.211 1.00 0.00 C ATOM 943 CG ASP A 63 1.955 3.608 -1.202 1.00 0.00 C ATOM 944 OD1 ASP A 63 1.877 3.285 -2.407 1.00 0.00 O ATOM 945 OD2 ASP A 63 2.659 4.528 -0.732 1.00 0.00 O ATOM 0 H ASP A 63 -0.416 1.178 0.942 1.00 0.00 H new ATOM 0 HA ASP A 63 0.963 0.983 -1.350 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.065 3.078 -0.341 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.394 3.092 0.801 1.00 0.00 H new ATOM 950 N CYS A 64 3.054 1.089 1.234 1.00 0.00 N ATOM 951 CA CYS A 64 4.400 0.770 1.676 1.00 0.00 C ATOM 952 C CYS A 64 4.651 -0.717 1.418 1.00 0.00 C ATOM 953 O CYS A 64 5.456 -1.075 0.560 1.00 0.00 O ATOM 954 CB CYS A 64 4.616 1.138 3.146 1.00 0.00 C ATOM 955 SG CYS A 64 5.834 2.498 3.278 1.00 0.00 S ATOM 0 H CYS A 64 2.442 1.458 1.962 1.00 0.00 H new ATOM 0 HA CYS A 64 5.120 1.363 1.112 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.671 1.440 3.596 1.00 0.00 H new ATOM 0 HB3 CYS A 64 4.969 0.268 3.699 1.00 0.00 H new ATOM 0 HG CYS A 64 7.031 2.029 3.086 1.00 0.00 H new ATOM 961 N ASN A 65 3.945 -1.544 2.176 1.00 0.00 N ATOM 962 CA ASN A 65 4.081 -2.984 2.039 1.00 0.00 C ATOM 963 C ASN A 65 3.373 -3.672 3.209 1.00 0.00 C ATOM 964 O ASN A 65 2.784 -4.738 3.042 1.00 0.00 O ATOM 965 CB ASN A 65 5.552 -3.404 2.064 1.00 0.00 C ATOM 966 CG ASN A 65 5.897 -4.266 0.849 1.00 0.00 C ATOM 967 OD1 ASN A 65 5.128 -4.398 -0.090 1.00 0.00 O ATOM 968 ND2 ASN A 65 7.092 -4.845 0.918 1.00 0.00 N ATOM 0 H ASN A 65 3.278 -1.244 2.887 1.00 0.00 H new ATOM 0 HA ASN A 65 3.639 -3.275 1.086 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.187 -2.518 2.078 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.760 -3.959 2.979 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.414 -5.441 0.156 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.686 -4.693 1.733 1.00 0.00 H new ATOM 975 N GLY A 66 3.455 -3.032 4.366 1.00 0.00 N ATOM 976 CA GLY A 66 2.830 -3.569 5.563 1.00 0.00 C ATOM 977 C GLY A 66 3.723 -3.362 6.788 1.00 0.00 C ATOM 978 O GLY A 66 3.897 -4.275 7.595 1.00 0.00 O ATOM 0 H GLY A 66 3.944 -2.147 4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.867 -3.083 5.724 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.632 -4.632 5.428 1.00 0.00 H new ATOM 982 N ASP A 67 4.264 -2.157 6.889 1.00 0.00 N ATOM 983 CA ASP A 67 5.134 -1.819 8.002 1.00 0.00 C ATOM 984 C ASP A 67 4.676 -0.496 8.619 1.00 0.00 C ATOM 985 O ASP A 67 4.850 0.565 8.020 1.00 0.00 O ATOM 986 CB ASP A 67 6.582 -1.648 7.537 1.00 0.00 C ATOM 987 CG ASP A 67 7.627 -2.359 8.400 1.00 0.00 C ATOM 988 OD1 ASP A 67 7.837 -1.889 9.539 1.00 0.00 O ATOM 989 OD2 ASP A 67 8.191 -3.356 7.901 1.00 0.00 O ATOM 0 H ASP A 67 4.117 -1.403 6.218 1.00 0.00 H new ATOM 0 HA ASP A 67 5.082 -2.630 8.729 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.665 -2.017 6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.816 -0.584 7.512 1.00 0.00 H new ATOM 994 N VAL A 68 4.101 -0.601 9.807 1.00 0.00 N ATOM 995 CA VAL A 68 3.617 0.574 10.511 1.00 0.00 C ATOM 996 C VAL A 68 4.697 1.658 10.489 1.00 0.00 C ATOM 997 O VAL A 68 4.403 2.827 10.243 1.00 0.00 O ATOM 998 CB VAL A 68 3.181 0.194 11.928 1.00 0.00 C ATOM 999 CG1 VAL A 68 3.065 1.433 12.817 1.00 0.00 C ATOM 1000 CG2 VAL A 68 1.868 -0.591 11.905 1.00 0.00 C ATOM 0 H VAL A 68 3.959 -1.482 10.301 1.00 0.00 H new ATOM 0 HA VAL A 68 2.737 0.981 10.013 1.00 0.00 H new ATOM 0 HB VAL A 68 3.949 -0.451 12.354 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.754 1.135 13.818 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.032 1.933 12.872 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.327 2.115 12.396 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.580 -0.849 12.924 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.087 0.019 11.451 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.000 -1.503 11.323 1.00 0.00 H new ATOM 1010 N ASN A 69 5.924 1.231 10.749 1.00 0.00 N ATOM 1011 CA ASN A 69 7.049 2.150 10.761 1.00 0.00 C ATOM 1012 C ASN A 69 7.166 2.825 9.393 1.00 0.00 C ATOM 1013 O ASN A 69 7.087 4.048 9.292 1.00 0.00 O ATOM 1014 CB ASN A 69 8.360 1.412 11.038 1.00 0.00 C ATOM 1015 CG ASN A 69 9.329 2.292 11.830 1.00 0.00 C ATOM 1016 OD1 ASN A 69 10.428 2.596 11.398 1.00 0.00 O ATOM 1017 ND2 ASN A 69 8.860 2.684 13.012 1.00 0.00 N ATOM 0 H ASN A 69 6.164 0.261 10.953 1.00 0.00 H new ATOM 0 HA ASN A 69 6.876 2.885 11.547 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.156 0.498 11.595 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.820 1.115 10.096 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.431 3.275 13.616 1.00 0.00 H new ATOM 0 HD22 ASN A 69 7.930 2.393 13.314 1.00 0.00 H new ATOM 1024 N ARG A 70 7.352 1.998 8.375 1.00 0.00 N ATOM 1025 CA ARG A 70 7.481 2.500 7.017 1.00 0.00 C ATOM 1026 C ARG A 70 6.293 3.399 6.669 1.00 0.00 C ATOM 1027 O ARG A 70 6.474 4.502 6.154 1.00 0.00 O ATOM 1028 CB ARG A 70 7.554 1.351 6.010 1.00 0.00 C ATOM 1029 CG ARG A 70 8.753 0.445 6.298 1.00 0.00 C ATOM 1030 CD ARG A 70 10.070 1.194 6.084 1.00 0.00 C ATOM 1031 NE ARG A 70 11.213 0.288 6.333 1.00 0.00 N ATOM 1032 CZ ARG A 70 12.480 0.568 5.996 1.00 0.00 C ATOM 1033 NH1 ARG A 70 12.773 1.729 5.395 1.00 0.00 N ATOM 1034 NH2 ARG A 70 13.453 -0.314 6.261 1.00 0.00 N ATOM 0 H ARG A 70 7.417 0.984 8.463 1.00 0.00 H new ATOM 0 HA ARG A 70 8.405 3.075 6.962 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.634 0.767 6.051 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.631 1.753 5.000 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.700 0.081 7.324 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.718 -0.429 5.647 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.117 1.581 5.066 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.123 2.052 6.754 1.00 0.00 H new ATOM 0 HE ARG A 70 11.025 -0.605 6.789 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.032 2.400 5.194 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.737 1.942 5.139 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.230 -1.198 6.719 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.417 -0.102 6.005 1.00 0.00 H new ATOM 1048 N ALA A 71 5.103 2.896 6.964 1.00 0.00 N ATOM 1049 CA ALA A 71 3.886 3.640 6.688 1.00 0.00 C ATOM 1050 C ALA A 71 3.973 5.015 7.354 1.00 0.00 C ATOM 1051 O ALA A 71 3.715 6.034 6.715 1.00 0.00 O ATOM 1052 CB ALA A 71 2.676 2.835 7.168 1.00 0.00 C ATOM 0 H ALA A 71 4.956 1.982 7.392 1.00 0.00 H new ATOM 0 HA ALA A 71 3.767 3.799 5.616 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.763 3.393 6.961 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.644 1.879 6.645 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.758 2.659 8.240 1.00 0.00 H new ATOM 1058 N ILE A 72 4.336 4.999 8.627 1.00 0.00 N ATOM 1059 CA ILE A 72 4.460 6.232 9.386 1.00 0.00 C ATOM 1060 C ILE A 72 5.341 7.215 8.612 1.00 0.00 C ATOM 1061 O ILE A 72 4.977 8.378 8.442 1.00 0.00 O ATOM 1062 CB ILE A 72 4.960 5.942 10.802 1.00 0.00 C ATOM 1063 CG1 ILE A 72 3.840 5.371 11.674 1.00 0.00 C ATOM 1064 CG2 ILE A 72 5.593 7.187 11.426 1.00 0.00 C ATOM 1065 CD1 ILE A 72 4.395 4.390 12.708 1.00 0.00 C ATOM 0 H ILE A 72 4.549 4.151 9.153 1.00 0.00 H new ATOM 0 HA ILE A 72 3.485 6.704 9.508 1.00 0.00 H new ATOM 0 HB ILE A 72 5.738 5.182 10.739 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.319 6.183 12.181 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.107 4.866 11.045 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.940 6.953 12.432 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.437 7.510 10.817 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.853 7.986 11.474 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.578 3.999 13.314 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.894 3.566 12.197 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.110 4.904 13.351 1.00 0.00 H new ATOM 1077 N ASN A 73 6.482 6.713 8.164 1.00 0.00 N ATOM 1078 CA ASN A 73 7.417 7.532 7.413 1.00 0.00 C ATOM 1079 C ASN A 73 6.673 8.234 6.275 1.00 0.00 C ATOM 1080 O ASN A 73 6.960 9.388 5.959 1.00 0.00 O ATOM 1081 CB ASN A 73 8.526 6.678 6.796 1.00 0.00 C ATOM 1082 CG ASN A 73 9.861 6.920 7.502 1.00 0.00 C ATOM 1083 OD1 ASN A 73 10.651 7.767 7.119 1.00 0.00 O ATOM 1084 ND2 ASN A 73 10.069 6.130 8.552 1.00 0.00 N ATOM 0 H ASN A 73 6.780 5.748 8.307 1.00 0.00 H new ATOM 0 HA ASN A 73 7.858 8.255 8.099 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.259 5.623 6.866 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.623 6.912 5.736 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.932 6.213 9.090 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.366 5.441 8.819 1.00 0.00 H new ATOM 1091 N VAL A 74 5.731 7.509 5.690 1.00 0.00 N ATOM 1092 CA VAL A 74 4.943 8.047 4.595 1.00 0.00 C ATOM 1093 C VAL A 74 3.832 8.934 5.159 1.00 0.00 C ATOM 1094 O VAL A 74 3.697 10.092 4.766 1.00 0.00 O ATOM 1095 CB VAL A 74 4.414 6.908 3.721 1.00 0.00 C ATOM 1096 CG1 VAL A 74 3.653 7.453 2.511 1.00 0.00 C ATOM 1097 CG2 VAL A 74 5.548 5.980 3.283 1.00 0.00 C ATOM 0 H VAL A 74 5.496 6.552 5.954 1.00 0.00 H new ATOM 0 HA VAL A 74 5.562 8.672 3.951 1.00 0.00 H new ATOM 0 HB VAL A 74 3.716 6.323 4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.288 6.623 1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.809 8.052 2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.319 8.073 1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.144 5.179 2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.282 6.547 2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.027 5.551 4.163 1.00 0.00 H new ATOM 1107 N LEU A 75 3.063 8.357 6.071 1.00 0.00 N ATOM 1108 CA LEU A 75 1.968 9.081 6.693 1.00 0.00 C ATOM 1109 C LEU A 75 2.472 10.440 7.182 1.00 0.00 C ATOM 1110 O LEU A 75 1.957 11.480 6.775 1.00 0.00 O ATOM 1111 CB LEU A 75 1.322 8.234 7.791 1.00 0.00 C ATOM 1112 CG LEU A 75 0.206 7.288 7.341 1.00 0.00 C ATOM 1113 CD1 LEU A 75 0.046 6.124 8.320 1.00 0.00 C ATOM 1114 CD2 LEU A 75 -1.106 8.047 7.133 1.00 0.00 C ATOM 0 H LEU A 75 3.177 7.396 6.394 1.00 0.00 H new ATOM 0 HA LEU A 75 1.179 9.276 5.966 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.101 7.642 8.271 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.918 8.905 8.549 1.00 0.00 H new ATOM 0 HG LEU A 75 0.487 6.862 6.378 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.753 5.467 7.977 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.979 5.563 8.374 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.202 6.511 9.308 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.882 7.351 6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.405 8.520 8.068 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.967 8.811 6.368 1.00 0.00 H new ATOM 1126 N LEU A 76 3.474 10.388 8.047 1.00 0.00 N ATOM 1127 CA LEU A 76 4.054 11.602 8.595 1.00 0.00 C ATOM 1128 C LEU A 76 4.293 12.603 7.464 1.00 0.00 C ATOM 1129 O LEU A 76 3.708 13.685 7.453 1.00 0.00 O ATOM 1130 CB LEU A 76 5.310 11.277 9.406 1.00 0.00 C ATOM 1131 CG LEU A 76 5.078 10.657 10.785 1.00 0.00 C ATOM 1132 CD1 LEU A 76 6.379 10.090 11.358 1.00 0.00 C ATOM 1133 CD2 LEU A 76 4.423 11.662 11.734 1.00 0.00 C ATOM 0 H LEU A 76 3.899 9.523 8.382 1.00 0.00 H new ATOM 0 HA LEU A 76 3.364 12.072 9.296 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.928 10.595 8.823 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.883 12.195 9.535 1.00 0.00 H new ATOM 0 HG LEU A 76 4.386 9.822 10.672 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.186 9.655 12.339 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.766 9.321 10.690 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.113 10.890 11.454 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.269 11.196 12.707 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.070 12.532 11.846 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.462 11.975 11.326 1.00 0.00 H new