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 Set 1.1: A 50 THR OG1 : rot 39:sc= -0.0528 USER MOD Set 1.2: A 57 CYS SG : rot 76:sc= -1.17 USER MOD Single : A 42 LYS NZ :NH3+ -165:sc= 1.18 (180deg=1) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.42 K(o=-1.4,f=-2.2!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0219 X(o=-0.022,f=-0.13) USER MOD Single : A 54 GLN : amide:sc= -0.306 K(o=-0.31,f=-0.88) USER MOD Single : A 62 HIS : no HD1:sc= -0.0254 X(o=-0.025,f=0) USER MOD Single : A 64 CYS SG : rot -61:sc= -2.63 USER MOD Single : A 65 ASN : amide:sc= -1.62! C(o=-1.6!,f=-4.3!) USER MOD Single : A 69 ASN : amide:sc= -0.185 X(o=-0.18,f=-0.061) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 527 N ALA A 37 -5.475 -9.955 9.694 1.00 0.00 N ATOM 528 CA ALA A 37 -5.258 -9.640 11.095 1.00 0.00 C ATOM 529 C ALA A 37 -3.945 -8.867 11.242 1.00 0.00 C ATOM 530 O ALA A 37 -3.902 -7.829 11.902 1.00 0.00 O ATOM 531 CB ALA A 37 -5.269 -10.930 11.917 1.00 0.00 C ATOM 0 HA ALA A 37 -6.059 -9.005 11.474 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.106 -10.693 12.968 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.233 -11.426 11.802 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.476 -11.591 11.567 1.00 0.00 H new ATOM 537 N ASP A 38 -2.907 -9.401 10.616 1.00 0.00 N ATOM 538 CA ASP A 38 -1.598 -8.775 10.668 1.00 0.00 C ATOM 539 C ASP A 38 -1.726 -7.301 10.278 1.00 0.00 C ATOM 540 O ASP A 38 -1.515 -6.415 11.105 1.00 0.00 O ATOM 541 CB ASP A 38 -0.629 -9.440 9.688 1.00 0.00 C ATOM 542 CG ASP A 38 -0.441 -10.945 9.887 1.00 0.00 C ATOM 543 OD1 ASP A 38 -0.927 -11.446 10.924 1.00 0.00 O ATOM 544 OD2 ASP A 38 0.185 -11.561 8.997 1.00 0.00 O ATOM 0 H ASP A 38 -2.947 -10.261 10.070 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.214 -8.881 11.683 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.985 -9.264 8.673 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.342 -8.953 9.774 1.00 0.00 H new ATOM 549 N PHE A 39 -2.072 -7.083 9.018 1.00 0.00 N ATOM 550 CA PHE A 39 -2.232 -5.732 8.508 1.00 0.00 C ATOM 551 C PHE A 39 -3.256 -4.951 9.335 1.00 0.00 C ATOM 552 O PHE A 39 -3.086 -3.757 9.572 1.00 0.00 O ATOM 553 CB PHE A 39 -2.740 -5.853 7.070 1.00 0.00 C ATOM 554 CG PHE A 39 -2.857 -4.516 6.337 1.00 0.00 C ATOM 555 CD1 PHE A 39 -1.798 -4.029 5.636 1.00 0.00 C ATOM 556 CD2 PHE A 39 -4.021 -3.813 6.386 1.00 0.00 C ATOM 557 CE1 PHE A 39 -1.907 -2.788 4.955 1.00 0.00 C ATOM 558 CE2 PHE A 39 -4.130 -2.572 5.705 1.00 0.00 C ATOM 559 CZ PHE A 39 -3.071 -2.085 5.004 1.00 0.00 C ATOM 0 H PHE A 39 -2.246 -7.820 8.335 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.282 -5.200 8.560 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.067 -6.504 6.512 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.717 -6.337 7.080 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.874 -4.587 5.597 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.862 -4.199 6.943 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.066 -2.402 4.398 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.054 -2.014 5.744 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.154 -1.141 4.486 1.00 0.00 H new ATOM 569 N GLU A 40 -4.297 -5.659 9.749 1.00 0.00 N ATOM 570 CA GLU A 40 -5.348 -5.047 10.544 1.00 0.00 C ATOM 571 C GLU A 40 -4.761 -4.424 11.812 1.00 0.00 C ATOM 572 O GLU A 40 -4.921 -3.228 12.051 1.00 0.00 O ATOM 573 CB GLU A 40 -6.438 -6.065 10.888 1.00 0.00 C ATOM 574 CG GLU A 40 -7.463 -6.173 9.758 1.00 0.00 C ATOM 575 CD GLU A 40 -8.681 -5.289 10.036 1.00 0.00 C ATOM 576 OE1 GLU A 40 -9.122 -5.283 11.206 1.00 0.00 O ATOM 577 OE2 GLU A 40 -9.143 -4.640 9.073 1.00 0.00 O ATOM 0 H GLU A 40 -4.435 -6.650 9.549 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.809 -4.255 9.953 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.986 -7.040 11.068 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.938 -5.770 11.811 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.003 -5.878 8.815 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.780 -7.210 9.647 1.00 0.00 H new ATOM 584 N GLU A 41 -4.093 -5.262 12.590 1.00 0.00 N ATOM 585 CA GLU A 41 -3.481 -4.808 13.828 1.00 0.00 C ATOM 586 C GLU A 41 -2.582 -3.598 13.562 1.00 0.00 C ATOM 587 O GLU A 41 -2.591 -2.634 14.326 1.00 0.00 O ATOM 588 CB GLU A 41 -2.696 -5.937 14.498 1.00 0.00 C ATOM 589 CG GLU A 41 -3.311 -6.304 15.850 1.00 0.00 C ATOM 590 CD GLU A 41 -2.227 -6.673 16.864 1.00 0.00 C ATOM 591 OE1 GLU A 41 -1.385 -5.792 17.142 1.00 0.00 O ATOM 592 OE2 GLU A 41 -2.263 -7.829 17.339 1.00 0.00 O ATOM 0 H GLU A 41 -3.962 -6.253 12.388 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.273 -4.505 14.513 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.686 -6.813 13.849 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.659 -5.631 14.637 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.896 -5.465 16.227 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.998 -7.141 15.726 1.00 0.00 H new ATOM 599 N LYS A 42 -1.826 -3.689 12.478 1.00 0.00 N ATOM 600 CA LYS A 42 -0.923 -2.615 12.102 1.00 0.00 C ATOM 601 C LYS A 42 -1.733 -1.346 11.828 1.00 0.00 C ATOM 602 O LYS A 42 -1.453 -0.292 12.396 1.00 0.00 O ATOM 603 CB LYS A 42 -0.037 -3.044 10.931 1.00 0.00 C ATOM 604 CG LYS A 42 0.964 -4.117 11.365 1.00 0.00 C ATOM 605 CD LYS A 42 2.244 -4.042 10.531 1.00 0.00 C ATOM 606 CE LYS A 42 3.224 -5.148 10.929 1.00 0.00 C ATOM 607 NZ LYS A 42 4.527 -4.952 10.256 1.00 0.00 N ATOM 0 H LYS A 42 -1.820 -4.491 11.848 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.240 -2.388 12.921 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.658 -3.427 10.122 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.498 -2.179 10.540 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.205 -3.989 12.420 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.514 -5.104 11.259 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.999 -4.132 9.473 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.714 -3.068 10.667 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.363 -5.148 12.010 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.812 -6.121 10.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.089 -5.824 10.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.369 -4.722 9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.040 -4.172 10.714 1.00 0.00 H new ATOM 621 N VAL A 43 -2.721 -1.490 10.958 1.00 0.00 N ATOM 622 CA VAL A 43 -3.574 -0.369 10.601 1.00 0.00 C ATOM 623 C VAL A 43 -3.996 0.370 11.873 1.00 0.00 C ATOM 624 O VAL A 43 -3.906 1.594 11.943 1.00 0.00 O ATOM 625 CB VAL A 43 -4.763 -0.858 9.772 1.00 0.00 C ATOM 626 CG1 VAL A 43 -5.899 0.166 9.784 1.00 0.00 C ATOM 627 CG2 VAL A 43 -4.335 -1.185 8.340 1.00 0.00 C ATOM 0 H VAL A 43 -2.950 -2.366 10.489 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.030 0.340 9.977 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.135 -1.775 10.229 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.731 -0.207 9.187 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.232 0.328 10.809 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.545 1.107 9.364 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.199 -1.530 7.772 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.925 -0.291 7.870 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.576 -1.967 8.357 1.00 0.00 H new ATOM 637 N LYS A 44 -4.447 -0.406 12.848 1.00 0.00 N ATOM 638 CA LYS A 44 -4.883 0.159 14.113 1.00 0.00 C ATOM 639 C LYS A 44 -3.709 0.882 14.776 1.00 0.00 C ATOM 640 O LYS A 44 -3.825 2.047 15.151 1.00 0.00 O ATOM 641 CB LYS A 44 -5.516 -0.921 14.993 1.00 0.00 C ATOM 642 CG LYS A 44 -7.012 -1.057 14.703 1.00 0.00 C ATOM 643 CD LYS A 44 -7.629 -2.193 15.523 1.00 0.00 C ATOM 644 CE LYS A 44 -7.948 -1.730 16.946 1.00 0.00 C ATOM 645 NZ LYS A 44 -9.410 -1.585 17.128 1.00 0.00 N ATOM 0 H LYS A 44 -4.520 -1.422 12.787 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.664 0.902 13.949 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.020 -1.875 14.817 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.367 -0.673 16.044 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.518 -0.120 14.935 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.164 -1.246 13.640 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.540 -2.544 15.038 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.941 -3.037 15.557 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.555 -2.449 17.665 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.455 -0.779 17.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.609 -1.270 18.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.776 -0.882 16.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.873 -2.501 16.959 1.00 0.00 H new ATOM 659 N GLN A 45 -2.605 0.159 14.899 1.00 0.00 N ATOM 660 CA GLN A 45 -1.410 0.717 15.510 1.00 0.00 C ATOM 661 C GLN A 45 -1.083 2.077 14.891 1.00 0.00 C ATOM 662 O GLN A 45 -0.677 3.002 15.593 1.00 0.00 O ATOM 663 CB GLN A 45 -0.228 -0.244 15.379 1.00 0.00 C ATOM 664 CG GLN A 45 0.077 -0.924 16.716 1.00 0.00 C ATOM 665 CD GLN A 45 0.961 -0.036 17.594 1.00 0.00 C ATOM 666 OE1 GLN A 45 2.172 0.013 17.452 1.00 0.00 O ATOM 667 NE2 GLN A 45 0.291 0.663 18.506 1.00 0.00 N ATOM 0 H GLN A 45 -2.513 -0.807 14.586 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.602 0.861 16.573 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.451 -0.999 14.625 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.651 0.300 15.035 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.855 -1.144 17.237 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.575 -1.877 16.538 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.723 0.576 18.572 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.791 1.286 19.140 1.00 0.00 H new ATOM 676 N LEU A 46 -1.271 2.156 13.581 1.00 0.00 N ATOM 677 CA LEU A 46 -1.001 3.387 12.859 1.00 0.00 C ATOM 678 C LEU A 46 -1.927 4.490 13.375 1.00 0.00 C ATOM 679 O LEU A 46 -1.464 5.492 13.918 1.00 0.00 O ATOM 680 CB LEU A 46 -1.100 3.156 11.350 1.00 0.00 C ATOM 681 CG LEU A 46 0.115 2.502 10.690 1.00 0.00 C ATOM 682 CD1 LEU A 46 -0.299 1.688 9.463 1.00 0.00 C ATOM 683 CD2 LEU A 46 1.183 3.545 10.352 1.00 0.00 C ATOM 0 H LEU A 46 -1.607 1.387 13.002 1.00 0.00 H new ATOM 0 HA LEU A 46 0.021 3.719 13.041 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.973 2.534 11.154 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.278 4.117 10.866 1.00 0.00 H new ATOM 0 HG LEU A 46 0.558 1.807 11.403 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.584 1.234 9.013 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.996 0.906 9.764 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.780 2.343 8.737 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.036 3.054 9.884 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.767 4.282 9.665 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.508 4.043 11.266 1.00 0.00 H new ATOM 695 N ILE A 47 -3.220 4.268 13.188 1.00 0.00 N ATOM 696 CA ILE A 47 -4.216 5.231 13.627 1.00 0.00 C ATOM 697 C ILE A 47 -3.895 5.674 15.056 1.00 0.00 C ATOM 698 O ILE A 47 -4.192 6.804 15.441 1.00 0.00 O ATOM 699 CB ILE A 47 -5.625 4.657 13.464 1.00 0.00 C ATOM 700 CG1 ILE A 47 -6.069 4.702 12.000 1.00 0.00 C ATOM 701 CG2 ILE A 47 -6.617 5.367 14.386 1.00 0.00 C ATOM 702 CD1 ILE A 47 -7.051 3.571 11.690 1.00 0.00 C ATOM 0 H ILE A 47 -3.601 3.435 12.738 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.185 6.123 13.001 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.603 3.609 13.762 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.537 5.663 11.788 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.198 4.621 11.349 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.610 4.940 14.250 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.306 5.239 15.423 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.643 6.429 14.144 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.351 3.626 10.643 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.572 2.611 11.880 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.931 3.669 12.325 1.00 0.00 H new ATOM 714 N ASP A 48 -3.291 4.761 15.803 1.00 0.00 N ATOM 715 CA ASP A 48 -2.927 5.044 17.181 1.00 0.00 C ATOM 716 C ASP A 48 -1.608 5.820 17.206 1.00 0.00 C ATOM 717 O ASP A 48 -1.426 6.714 18.031 1.00 0.00 O ATOM 718 CB ASP A 48 -2.729 3.751 17.975 1.00 0.00 C ATOM 719 CG ASP A 48 -3.692 3.559 19.148 1.00 0.00 C ATOM 720 OD1 ASP A 48 -4.763 4.202 19.114 1.00 0.00 O ATOM 721 OD2 ASP A 48 -3.334 2.774 20.053 1.00 0.00 O ATOM 0 H ASP A 48 -3.045 3.825 15.480 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.733 5.624 17.631 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.835 2.905 17.296 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.708 3.729 18.355 1.00 0.00 H new ATOM 726 N ILE A 49 -0.724 5.451 16.292 1.00 0.00 N ATOM 727 CA ILE A 49 0.572 6.101 16.198 1.00 0.00 C ATOM 728 C ILE A 49 0.419 7.431 15.457 1.00 0.00 C ATOM 729 O ILE A 49 0.501 8.497 16.064 1.00 0.00 O ATOM 730 CB ILE A 49 1.600 5.160 15.567 1.00 0.00 C ATOM 731 CG1 ILE A 49 1.752 3.881 16.392 1.00 0.00 C ATOM 732 CG2 ILE A 49 2.939 5.871 15.359 1.00 0.00 C ATOM 733 CD1 ILE A 49 1.989 2.670 15.487 1.00 0.00 C ATOM 0 H ILE A 49 -0.879 4.709 15.609 1.00 0.00 H new ATOM 0 HA ILE A 49 0.954 6.332 17.192 1.00 0.00 H new ATOM 0 HB ILE A 49 1.235 4.866 14.583 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.585 3.989 17.087 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.856 3.722 16.991 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.652 5.180 14.909 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.798 6.727 14.699 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.322 6.213 16.320 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.094 1.774 16.098 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.143 2.551 14.810 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.899 2.822 14.907 1.00 0.00 H new ATOM 745 N THR A 50 0.198 7.323 14.155 1.00 0.00 N ATOM 746 CA THR A 50 0.032 8.504 13.324 1.00 0.00 C ATOM 747 C THR A 50 -1.106 9.376 13.858 1.00 0.00 C ATOM 748 O THR A 50 -0.867 10.334 14.591 1.00 0.00 O ATOM 749 CB THR A 50 -0.183 8.041 11.882 1.00 0.00 C ATOM 750 OG1 THR A 50 -0.721 6.728 12.015 1.00 0.00 O ATOM 751 CG2 THR A 50 1.135 7.829 11.132 1.00 0.00 C ATOM 0 H THR A 50 0.130 6.436 13.655 1.00 0.00 H new ATOM 0 HA THR A 50 0.921 9.134 13.349 1.00 0.00 H new ATOM 0 HB THR A 50 -0.789 8.776 11.352 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.345 6.705 12.770 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.926 7.501 10.114 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.692 8.765 11.104 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.727 7.070 11.643 1.00 0.00 H new ATOM 759 N GLY A 51 -2.319 9.013 13.469 1.00 0.00 N ATOM 760 CA GLY A 51 -3.495 9.750 13.899 1.00 0.00 C ATOM 761 C GLY A 51 -4.433 10.022 12.722 1.00 0.00 C ATOM 762 O GLY A 51 -5.556 10.486 12.912 1.00 0.00 O ATOM 0 H GLY A 51 -2.513 8.218 12.860 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.023 9.183 14.666 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.191 10.694 14.352 1.00 0.00 H new ATOM 766 N LYS A 52 -3.937 9.722 11.530 1.00 0.00 N ATOM 767 CA LYS A 52 -4.717 9.929 10.321 1.00 0.00 C ATOM 768 C LYS A 52 -5.927 8.992 10.334 1.00 0.00 C ATOM 769 O LYS A 52 -6.214 8.356 11.347 1.00 0.00 O ATOM 770 CB LYS A 52 -3.834 9.775 9.081 1.00 0.00 C ATOM 771 CG LYS A 52 -2.670 10.768 9.111 1.00 0.00 C ATOM 772 CD LYS A 52 -3.041 12.070 8.398 1.00 0.00 C ATOM 773 CE LYS A 52 -1.789 12.817 7.934 1.00 0.00 C ATOM 774 NZ LYS A 52 -1.751 12.897 6.457 1.00 0.00 N ATOM 0 H LYS A 52 -3.005 9.337 11.376 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.102 10.948 10.286 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.447 8.757 9.029 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.431 9.935 8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.395 10.981 10.144 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.796 10.324 8.634 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.677 11.851 7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.619 12.704 9.070 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.779 13.821 8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.898 12.307 8.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.895 13.407 6.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.739 11.937 6.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.592 13.404 6.115 1.00 0.00 H new ATOM 788 N ASN A 53 -6.605 8.938 9.197 1.00 0.00 N ATOM 789 CA ASN A 53 -7.778 8.090 9.065 1.00 0.00 C ATOM 790 C ASN A 53 -7.339 6.678 8.674 1.00 0.00 C ATOM 791 O ASN A 53 -6.232 6.484 8.174 1.00 0.00 O ATOM 792 CB ASN A 53 -8.715 8.613 7.974 1.00 0.00 C ATOM 793 CG ASN A 53 -9.580 9.761 8.499 1.00 0.00 C ATOM 794 OD1 ASN A 53 -10.267 9.647 9.501 1.00 0.00 O ATOM 795 ND2 ASN A 53 -9.509 10.869 7.768 1.00 0.00 N ATOM 0 H ASN A 53 -6.365 9.467 8.359 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.302 8.088 10.021 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.130 8.955 7.120 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.354 7.804 7.620 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.050 11.692 8.035 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.914 10.897 6.940 1.00 0.00 H new ATOM 802 N GLN A 54 -8.230 5.728 8.916 1.00 0.00 N ATOM 803 CA GLN A 54 -7.949 4.339 8.595 1.00 0.00 C ATOM 804 C GLN A 54 -7.629 4.192 7.106 1.00 0.00 C ATOM 805 O GLN A 54 -6.529 3.779 6.741 1.00 0.00 O ATOM 806 CB GLN A 54 -9.117 3.436 8.996 1.00 0.00 C ATOM 807 CG GLN A 54 -8.677 1.973 9.076 1.00 0.00 C ATOM 808 CD GLN A 54 -9.815 1.085 9.583 1.00 0.00 C ATOM 809 OE1 GLN A 54 -10.853 1.552 10.023 1.00 0.00 O ATOM 810 NE2 GLN A 54 -9.564 -0.219 9.498 1.00 0.00 N ATOM 0 H GLN A 54 -9.147 5.893 9.331 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.076 4.024 9.167 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.512 3.754 9.961 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.925 3.537 8.271 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.356 1.632 8.092 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.818 1.884 9.741 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.674 -0.543 9.119 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.261 -0.894 9.811 1.00 0.00 H new ATOM 819 N ASP A 55 -8.610 4.538 6.286 1.00 0.00 N ATOM 820 CA ASP A 55 -8.447 4.449 4.844 1.00 0.00 C ATOM 821 C ASP A 55 -7.040 4.916 4.466 1.00 0.00 C ATOM 822 O ASP A 55 -6.344 4.245 3.705 1.00 0.00 O ATOM 823 CB ASP A 55 -9.453 5.346 4.120 1.00 0.00 C ATOM 824 CG ASP A 55 -10.865 5.341 4.710 1.00 0.00 C ATOM 825 OD1 ASP A 55 -11.004 5.826 5.853 1.00 0.00 O ATOM 826 OD2 ASP A 55 -11.773 4.853 4.003 1.00 0.00 O ATOM 0 H ASP A 55 -9.521 4.881 6.592 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.610 3.413 4.549 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.076 6.369 4.127 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.510 5.034 3.077 1.00 0.00 H new ATOM 831 N GLU A 56 -6.663 6.062 5.014 1.00 0.00 N ATOM 832 CA GLU A 56 -5.352 6.625 4.743 1.00 0.00 C ATOM 833 C GLU A 56 -4.255 5.686 5.250 1.00 0.00 C ATOM 834 O GLU A 56 -3.346 5.327 4.503 1.00 0.00 O ATOM 835 CB GLU A 56 -5.213 8.016 5.365 1.00 0.00 C ATOM 836 CG GLU A 56 -6.258 8.978 4.795 1.00 0.00 C ATOM 837 CD GLU A 56 -5.606 10.010 3.871 1.00 0.00 C ATOM 838 OE1 GLU A 56 -5.143 11.039 4.408 1.00 0.00 O ATOM 839 OE2 GLU A 56 -5.587 9.745 2.650 1.00 0.00 O ATOM 0 H GLU A 56 -7.243 6.616 5.644 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.241 6.733 3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.328 7.948 6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.213 8.405 5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.013 8.416 4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.772 9.487 5.610 1.00 0.00 H new ATOM 846 N CYS A 57 -4.377 5.315 6.516 1.00 0.00 N ATOM 847 CA CYS A 57 -3.408 4.425 7.131 1.00 0.00 C ATOM 848 C CYS A 57 -3.310 3.158 6.279 1.00 0.00 C ATOM 849 O CYS A 57 -2.213 2.705 5.957 1.00 0.00 O ATOM 850 CB CYS A 57 -3.772 4.109 8.583 1.00 0.00 C ATOM 851 SG CYS A 57 -3.474 5.576 9.637 1.00 0.00 S ATOM 0 H CYS A 57 -5.132 5.615 7.132 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.434 4.913 7.167 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.819 3.811 8.648 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.178 3.268 8.940 1.00 0.00 H new ATOM 0 HG CYS A 57 -4.422 6.445 9.449 1.00 0.00 H new ATOM 857 N VAL A 58 -4.473 2.621 5.938 1.00 0.00 N ATOM 858 CA VAL A 58 -4.532 1.415 5.130 1.00 0.00 C ATOM 859 C VAL A 58 -3.762 1.642 3.827 1.00 0.00 C ATOM 860 O VAL A 58 -2.931 0.821 3.442 1.00 0.00 O ATOM 861 CB VAL A 58 -5.989 1.010 4.901 1.00 0.00 C ATOM 862 CG1 VAL A 58 -6.081 -0.212 3.984 1.00 0.00 C ATOM 863 CG2 VAL A 58 -6.702 0.753 6.230 1.00 0.00 C ATOM 0 H VAL A 58 -5.381 2.999 6.207 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.055 0.583 5.649 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.493 1.840 4.405 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.128 -0.479 3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.628 0.021 3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.553 -1.050 4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.736 0.467 6.039 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.196 -0.051 6.765 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.682 1.660 6.835 1.00 0.00 H new ATOM 873 N ILE A 59 -4.067 2.759 3.184 1.00 0.00 N ATOM 874 CA ILE A 59 -3.414 3.104 1.932 1.00 0.00 C ATOM 875 C ILE A 59 -1.900 3.149 2.147 1.00 0.00 C ATOM 876 O ILE A 59 -1.144 2.541 1.391 1.00 0.00 O ATOM 877 CB ILE A 59 -3.994 4.402 1.366 1.00 0.00 C ATOM 878 CG1 ILE A 59 -5.479 4.241 1.035 1.00 0.00 C ATOM 879 CG2 ILE A 59 -3.186 4.882 0.158 1.00 0.00 C ATOM 880 CD1 ILE A 59 -6.226 5.565 1.208 1.00 0.00 C ATOM 0 H ILE A 59 -4.758 3.437 3.506 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.606 2.340 1.178 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.917 5.173 2.132 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.591 3.888 0.010 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.920 3.483 1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.619 5.806 -0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.154 5.062 0.459 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.209 4.120 -0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.279 5.423 0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.133 5.903 2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.799 6.314 0.541 1.00 0.00 H new ATOM 892 N ALA A 60 -1.503 3.875 3.182 1.00 0.00 N ATOM 893 CA ALA A 60 -0.092 4.007 3.506 1.00 0.00 C ATOM 894 C ALA A 60 0.499 2.619 3.766 1.00 0.00 C ATOM 895 O ALA A 60 1.377 2.168 3.032 1.00 0.00 O ATOM 896 CB ALA A 60 0.071 4.944 4.704 1.00 0.00 C ATOM 0 H ALA A 60 -2.133 4.378 3.807 1.00 0.00 H new ATOM 0 HA ALA A 60 0.454 4.447 2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.129 5.043 4.947 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.338 5.924 4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.462 4.534 5.562 1.00 0.00 H new ATOM 902 N LEU A 61 -0.007 1.983 4.812 1.00 0.00 N ATOM 903 CA LEU A 61 0.460 0.656 5.178 1.00 0.00 C ATOM 904 C LEU A 61 0.602 -0.196 3.915 1.00 0.00 C ATOM 905 O LEU A 61 1.690 -0.683 3.610 1.00 0.00 O ATOM 906 CB LEU A 61 -0.456 0.039 6.237 1.00 0.00 C ATOM 907 CG LEU A 61 0.125 -1.139 7.021 1.00 0.00 C ATOM 908 CD1 LEU A 61 1.509 -0.799 7.578 1.00 0.00 C ATOM 909 CD2 LEU A 61 -0.838 -1.595 8.119 1.00 0.00 C ATOM 0 H LEU A 61 -0.735 2.361 5.418 1.00 0.00 H new ATOM 0 HA LEU A 61 1.447 0.712 5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.736 0.819 6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.372 -0.292 5.748 1.00 0.00 H new ATOM 0 HG LEU A 61 0.251 -1.976 6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.899 -1.654 8.131 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.184 -0.560 6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.432 0.060 8.245 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.401 -2.433 8.661 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.019 -0.771 8.809 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.781 -1.906 7.670 1.00 0.00 H new ATOM 921 N HIS A 62 -0.512 -0.351 3.216 1.00 0.00 N ATOM 922 CA HIS A 62 -0.526 -1.136 1.993 1.00 0.00 C ATOM 923 C HIS A 62 0.538 -0.605 1.030 1.00 0.00 C ATOM 924 O HIS A 62 1.469 -1.323 0.671 1.00 0.00 O ATOM 925 CB HIS A 62 -1.926 -1.157 1.376 1.00 0.00 C ATOM 926 CG HIS A 62 -2.031 -1.986 0.119 1.00 0.00 C ATOM 927 ND1 HIS A 62 -2.484 -3.294 0.119 1.00 0.00 N ATOM 928 CD2 HIS A 62 -1.737 -1.680 -1.178 1.00 0.00 C ATOM 929 CE1 HIS A 62 -2.459 -3.745 -1.127 1.00 0.00 C ATOM 930 NE2 HIS A 62 -1.996 -2.744 -1.929 1.00 0.00 N ATOM 0 H HIS A 62 -1.412 0.054 3.473 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.277 -2.173 2.220 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.631 -1.542 2.113 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.228 -0.134 1.151 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.358 -0.733 -1.533 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.754 -4.732 -1.451 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.869 -2.803 -2.939 1.00 0.00 H new ATOM 938 N ASP A 63 0.364 0.650 0.640 1.00 0.00 N ATOM 939 CA ASP A 63 1.298 1.285 -0.274 1.00 0.00 C ATOM 940 C ASP A 63 2.725 0.878 0.098 1.00 0.00 C ATOM 941 O ASP A 63 3.503 0.472 -0.765 1.00 0.00 O ATOM 942 CB ASP A 63 1.203 2.810 -0.186 1.00 0.00 C ATOM 943 CG ASP A 63 2.467 3.562 -0.607 1.00 0.00 C ATOM 944 OD1 ASP A 63 3.388 3.639 0.234 1.00 0.00 O ATOM 945 OD2 ASP A 63 2.484 4.042 -1.761 1.00 0.00 O ATOM 0 H ASP A 63 -0.409 1.243 0.940 1.00 0.00 H new ATOM 0 HA ASP A 63 1.050 0.966 -1.286 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.375 3.144 -0.811 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.959 3.085 0.840 1.00 0.00 H new ATOM 950 N CYS A 64 3.027 1.002 1.382 1.00 0.00 N ATOM 951 CA CYS A 64 4.347 0.652 1.878 1.00 0.00 C ATOM 952 C CYS A 64 4.601 -0.825 1.568 1.00 0.00 C ATOM 953 O CYS A 64 5.497 -1.155 0.793 1.00 0.00 O ATOM 954 CB CYS A 64 4.489 0.954 3.371 1.00 0.00 C ATOM 955 SG CYS A 64 5.323 2.566 3.606 1.00 0.00 S ATOM 0 H CYS A 64 2.380 1.340 2.094 1.00 0.00 H new ATOM 0 HA CYS A 64 5.099 1.262 1.378 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.506 0.971 3.842 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.062 0.164 3.857 1.00 0.00 H new ATOM 0 HG CYS A 64 6.513 2.519 3.084 1.00 0.00 H new ATOM 961 N ASN A 65 3.795 -1.674 2.189 1.00 0.00 N ATOM 962 CA ASN A 65 3.922 -3.108 1.989 1.00 0.00 C ATOM 963 C ASN A 65 3.327 -3.840 3.194 1.00 0.00 C ATOM 964 O ASN A 65 2.889 -4.984 3.075 1.00 0.00 O ATOM 965 CB ASN A 65 5.390 -3.519 1.864 1.00 0.00 C ATOM 966 CG ASN A 65 5.757 -3.801 0.406 1.00 0.00 C ATOM 967 OD1 ASN A 65 4.912 -3.884 -0.470 1.00 0.00 O ATOM 968 ND2 ASN A 65 7.063 -3.944 0.195 1.00 0.00 N ATOM 0 H ASN A 65 3.052 -1.397 2.830 1.00 0.00 H new ATOM 0 HA ASN A 65 3.396 -3.369 1.071 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.028 -2.727 2.257 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.576 -4.407 2.468 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.410 -4.135 -0.745 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.717 -3.862 0.973 1.00 0.00 H new ATOM 975 N GLY A 66 3.329 -3.151 4.326 1.00 0.00 N ATOM 976 CA GLY A 66 2.795 -3.722 5.550 1.00 0.00 C ATOM 977 C GLY A 66 3.725 -3.448 6.734 1.00 0.00 C ATOM 978 O GLY A 66 3.987 -4.338 7.541 1.00 0.00 O ATOM 0 H GLY A 66 3.692 -2.203 4.421 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.810 -3.302 5.752 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.664 -4.797 5.427 1.00 0.00 H new ATOM 982 N ASP A 67 4.197 -2.211 6.800 1.00 0.00 N ATOM 983 CA ASP A 67 5.092 -1.808 7.872 1.00 0.00 C ATOM 984 C ASP A 67 4.605 -0.485 8.466 1.00 0.00 C ATOM 985 O ASP A 67 4.669 0.554 7.811 1.00 0.00 O ATOM 986 CB ASP A 67 6.515 -1.598 7.351 1.00 0.00 C ATOM 987 CG ASP A 67 7.590 -2.432 8.051 1.00 0.00 C ATOM 988 OD1 ASP A 67 8.099 -1.949 9.085 1.00 0.00 O ATOM 989 OD2 ASP A 67 7.878 -3.534 7.537 1.00 0.00 O ATOM 0 H ASP A 67 3.977 -1.475 6.129 1.00 0.00 H new ATOM 0 HA ASP A 67 5.096 -2.598 8.623 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.534 -1.829 6.286 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.771 -0.543 7.453 1.00 0.00 H new ATOM 994 N VAL A 68 4.130 -0.566 9.700 1.00 0.00 N ATOM 995 CA VAL A 68 3.633 0.612 10.389 1.00 0.00 C ATOM 996 C VAL A 68 4.712 1.696 10.381 1.00 0.00 C ATOM 997 O VAL A 68 4.412 2.875 10.200 1.00 0.00 O ATOM 998 CB VAL A 68 3.173 0.237 11.800 1.00 0.00 C ATOM 999 CG1 VAL A 68 3.065 1.478 12.689 1.00 0.00 C ATOM 1000 CG2 VAL A 68 1.847 -0.525 11.760 1.00 0.00 C ATOM 0 H VAL A 68 4.079 -1.430 10.240 1.00 0.00 H new ATOM 0 HA VAL A 68 2.762 1.017 9.874 1.00 0.00 H new ATOM 0 HB VAL A 68 3.925 -0.422 12.234 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.736 1.184 13.686 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.039 1.963 12.756 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.343 2.172 12.259 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.543 -0.779 12.775 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.082 0.099 11.298 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.970 -1.439 11.178 1.00 0.00 H new ATOM 1010 N ASN A 69 5.947 1.258 10.579 1.00 0.00 N ATOM 1011 CA ASN A 69 7.073 2.177 10.597 1.00 0.00 C ATOM 1012 C ASN A 69 7.183 2.868 9.236 1.00 0.00 C ATOM 1013 O ASN A 69 7.068 4.089 9.145 1.00 0.00 O ATOM 1014 CB ASN A 69 8.385 1.435 10.857 1.00 0.00 C ATOM 1015 CG ASN A 69 9.301 2.246 11.776 1.00 0.00 C ATOM 1016 OD1 ASN A 69 10.419 2.592 11.432 1.00 0.00 O ATOM 1017 ND2 ASN A 69 8.766 2.529 12.960 1.00 0.00 N ATOM 0 H ASN A 69 6.193 0.279 10.728 1.00 0.00 H new ATOM 0 HA ASN A 69 6.904 2.902 11.393 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.175 0.466 11.310 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.891 1.242 9.911 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.298 3.067 13.644 1.00 0.00 H new ATOM 0 HD22 ASN A 69 7.824 2.208 13.184 1.00 0.00 H new ATOM 1024 N ARG A 70 7.404 2.057 8.212 1.00 0.00 N ATOM 1025 CA ARG A 70 7.530 2.575 6.861 1.00 0.00 C ATOM 1026 C ARG A 70 6.361 3.507 6.538 1.00 0.00 C ATOM 1027 O ARG A 70 6.564 4.619 6.053 1.00 0.00 O ATOM 1028 CB ARG A 70 7.565 1.439 5.836 1.00 0.00 C ATOM 1029 CG ARG A 70 8.846 0.614 5.977 1.00 0.00 C ATOM 1030 CD ARG A 70 9.728 0.753 4.734 1.00 0.00 C ATOM 1031 NE ARG A 70 10.616 -0.424 4.609 1.00 0.00 N ATOM 1032 CZ ARG A 70 11.720 -0.614 5.345 1.00 0.00 C ATOM 1033 NH1 ARG A 70 12.077 0.295 6.263 1.00 0.00 N ATOM 1034 NH2 ARG A 70 12.466 -1.712 5.163 1.00 0.00 N ATOM 0 H ARG A 70 7.499 1.045 8.291 1.00 0.00 H new ATOM 0 HA ARG A 70 8.467 3.129 6.805 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.696 0.795 5.972 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.502 1.851 4.829 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.399 0.941 6.858 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.592 -0.435 6.132 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.105 0.845 3.844 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.324 1.663 4.801 1.00 0.00 H new ATOM 0 HE ARG A 70 10.373 -1.135 3.920 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.509 1.131 6.401 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.917 0.151 6.823 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.194 -2.403 4.464 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.306 -1.856 5.723 1.00 0.00 H new ATOM 1048 N ALA A 71 5.162 3.020 6.820 1.00 0.00 N ATOM 1049 CA ALA A 71 3.960 3.796 6.566 1.00 0.00 C ATOM 1050 C ALA A 71 4.095 5.169 7.226 1.00 0.00 C ATOM 1051 O ALA A 71 3.970 6.196 6.561 1.00 0.00 O ATOM 1052 CB ALA A 71 2.738 3.025 7.071 1.00 0.00 C ATOM 0 H ALA A 71 4.997 2.097 7.222 1.00 0.00 H new ATOM 0 HA ALA A 71 3.826 3.956 5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.836 3.607 6.881 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.670 2.070 6.551 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.836 2.848 8.142 1.00 0.00 H new ATOM 1058 N ILE A 72 4.349 5.143 8.526 1.00 0.00 N ATOM 1059 CA ILE A 72 4.504 6.374 9.283 1.00 0.00 C ATOM 1060 C ILE A 72 5.397 7.340 8.502 1.00 0.00 C ATOM 1061 O ILE A 72 5.026 8.491 8.279 1.00 0.00 O ATOM 1062 CB ILE A 72 5.010 6.074 10.695 1.00 0.00 C ATOM 1063 CG1 ILE A 72 3.923 5.402 11.536 1.00 0.00 C ATOM 1064 CG2 ILE A 72 5.551 7.340 11.364 1.00 0.00 C ATOM 1065 CD1 ILE A 72 4.537 4.476 12.588 1.00 0.00 C ATOM 0 H ILE A 72 4.451 4.289 9.075 1.00 0.00 H new ATOM 0 HA ILE A 72 3.540 6.865 9.412 1.00 0.00 H new ATOM 0 HB ILE A 72 5.839 5.370 10.618 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.315 6.163 12.026 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.258 4.831 10.888 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.904 7.099 12.367 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.377 7.739 10.774 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.758 8.085 11.428 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.742 4.011 13.172 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.124 3.702 12.093 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.183 5.054 13.249 1.00 0.00 H new ATOM 1077 N ASN A 73 6.557 6.835 8.107 1.00 0.00 N ATOM 1078 CA ASN A 73 7.505 7.639 7.356 1.00 0.00 C ATOM 1079 C ASN A 73 6.775 8.345 6.211 1.00 0.00 C ATOM 1080 O ASN A 73 7.093 9.485 5.877 1.00 0.00 O ATOM 1081 CB ASN A 73 8.606 6.767 6.748 1.00 0.00 C ATOM 1082 CG ASN A 73 9.939 6.989 7.464 1.00 0.00 C ATOM 1083 OD1 ASN A 73 10.709 7.877 7.138 1.00 0.00 O ATOM 1084 ND2 ASN A 73 10.169 6.134 8.457 1.00 0.00 N ATOM 0 H ASN A 73 6.861 5.879 8.293 1.00 0.00 H new ATOM 0 HA ASN A 73 7.952 8.360 8.040 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.323 5.717 6.817 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.715 6.999 5.689 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.032 6.199 8.997 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.482 5.413 8.679 1.00 0.00 H new ATOM 1091 N VAL A 74 5.810 7.638 5.642 1.00 0.00 N ATOM 1092 CA VAL A 74 5.032 8.182 4.542 1.00 0.00 C ATOM 1093 C VAL A 74 3.924 9.077 5.101 1.00 0.00 C ATOM 1094 O VAL A 74 3.793 10.232 4.699 1.00 0.00 O ATOM 1095 CB VAL A 74 4.499 7.047 3.666 1.00 0.00 C ATOM 1096 CG1 VAL A 74 3.734 7.598 2.461 1.00 0.00 C ATOM 1097 CG2 VAL A 74 5.632 6.120 3.220 1.00 0.00 C ATOM 0 H VAL A 74 5.549 6.693 5.922 1.00 0.00 H new ATOM 0 HA VAL A 74 5.659 8.802 3.901 1.00 0.00 H new ATOM 0 HB VAL A 74 3.803 6.460 4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.366 6.771 1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.892 8.197 2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.399 8.220 1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.226 5.322 2.599 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.364 6.689 2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.115 5.688 4.096 1.00 0.00 H new ATOM 1107 N LEU A 75 3.155 8.510 6.019 1.00 0.00 N ATOM 1108 CA LEU A 75 2.063 9.242 6.637 1.00 0.00 C ATOM 1109 C LEU A 75 2.572 10.605 7.110 1.00 0.00 C ATOM 1110 O LEU A 75 2.051 11.642 6.702 1.00 0.00 O ATOM 1111 CB LEU A 75 1.418 8.407 7.745 1.00 0.00 C ATOM 1112 CG LEU A 75 0.453 7.313 7.284 1.00 0.00 C ATOM 1113 CD1 LEU A 75 0.350 6.198 8.328 1.00 0.00 C ATOM 1114 CD2 LEU A 75 -0.917 7.900 6.936 1.00 0.00 C ATOM 0 H LEU A 75 3.267 7.552 6.350 1.00 0.00 H new ATOM 0 HA LEU A 75 1.272 9.431 5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.211 7.942 8.330 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.881 9.080 8.414 1.00 0.00 H new ATOM 0 HG LEU A 75 0.853 6.867 6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.342 5.433 7.976 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.333 5.754 8.484 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.015 6.612 9.268 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.583 7.101 6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.337 8.389 7.815 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.807 8.629 6.133 1.00 0.00 H new ATOM 1126 N LEU A 76 3.583 10.559 7.965 1.00 0.00 N ATOM 1127 CA LEU A 76 4.168 11.777 8.499 1.00 0.00 C ATOM 1128 C LEU A 76 4.317 12.802 7.373 1.00 0.00 C ATOM 1129 O LEU A 76 3.741 13.887 7.435 1.00 0.00 O ATOM 1130 CB LEU A 76 5.477 11.468 9.228 1.00 0.00 C ATOM 1131 CG LEU A 76 5.340 10.848 10.619 1.00 0.00 C ATOM 1132 CD1 LEU A 76 6.673 10.266 11.094 1.00 0.00 C ATOM 1133 CD2 LEU A 76 4.768 11.857 11.616 1.00 0.00 C ATOM 0 H LEU A 76 4.012 9.697 8.301 1.00 0.00 H new ATOM 0 HA LEU A 76 3.511 12.219 9.248 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.065 10.792 8.607 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.046 12.393 9.319 1.00 0.00 H new ATOM 0 HG LEU A 76 4.632 10.022 10.556 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.548 9.831 12.086 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.001 9.494 10.398 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.421 11.058 11.137 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.681 11.390 12.597 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.431 12.719 11.682 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.783 12.182 11.280 1.00 0.00 H new