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+ 179:sc= 0 (180deg=-0.0024) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.78 K(o=-1.8,f=-2.6!) USER MOD Single : A 50 THR OG1 : rot -80:sc= 0.914! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.19 K(o=-0.19,f=-3.4!) USER MOD Single : A 54 GLN : amide:sc= -0.174 K(o=-0.17,f=-3.6!) USER MOD Single : A 57 CYS SG : rot 63:sc= 0.445 USER MOD Single : A 62 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-0.28) USER MOD Single : A 64 CYS SG : rot 155:sc= -4.03 USER MOD Single : A 65 ASN : amide:sc= -0.355 K(o=-0.35,f=-2.8!) USER MOD Single : A 69 ASN : amide:sc= 0.571 K(o=0.57,f=-3.2!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 527 N ALA A 37 -5.694 -10.207 10.296 1.00 0.00 N ATOM 528 CA ALA A 37 -5.441 -9.607 11.595 1.00 0.00 C ATOM 529 C ALA A 37 -4.067 -8.935 11.583 1.00 0.00 C ATOM 530 O ALA A 37 -3.868 -7.910 12.234 1.00 0.00 O ATOM 531 CB ALA A 37 -5.557 -10.678 12.683 1.00 0.00 C ATOM 0 HA ALA A 37 -6.182 -8.838 11.813 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.367 -10.229 13.658 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.560 -11.104 12.669 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.826 -11.465 12.498 1.00 0.00 H new ATOM 537 N ASP A 38 -3.155 -9.538 10.836 1.00 0.00 N ATOM 538 CA ASP A 38 -1.805 -9.011 10.731 1.00 0.00 C ATOM 539 C ASP A 38 -1.869 -7.533 10.341 1.00 0.00 C ATOM 540 O ASP A 38 -1.587 -6.658 11.159 1.00 0.00 O ATOM 541 CB ASP A 38 -1.007 -9.749 9.655 1.00 0.00 C ATOM 542 CG ASP A 38 -0.587 -11.173 10.025 1.00 0.00 C ATOM 543 OD1 ASP A 38 -0.196 -11.363 11.197 1.00 0.00 O ATOM 544 OD2 ASP A 38 -0.666 -12.040 9.127 1.00 0.00 O ATOM 0 H ASP A 38 -3.324 -10.387 10.297 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.316 -9.143 11.696 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.604 -9.787 8.744 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.112 -9.170 9.426 1.00 0.00 H new ATOM 549 N PHE A 39 -2.242 -7.299 9.091 1.00 0.00 N ATOM 550 CA PHE A 39 -2.347 -5.942 8.583 1.00 0.00 C ATOM 551 C PHE A 39 -3.274 -5.098 9.459 1.00 0.00 C ATOM 552 O PHE A 39 -2.921 -3.988 9.854 1.00 0.00 O ATOM 553 CB PHE A 39 -2.940 -6.036 7.176 1.00 0.00 C ATOM 554 CG PHE A 39 -3.213 -4.679 6.523 1.00 0.00 C ATOM 555 CD1 PHE A 39 -2.232 -4.054 5.819 1.00 0.00 C ATOM 556 CD2 PHE A 39 -4.436 -4.098 6.648 1.00 0.00 C ATOM 557 CE1 PHE A 39 -2.485 -2.795 5.213 1.00 0.00 C ATOM 558 CE2 PHE A 39 -4.690 -2.839 6.042 1.00 0.00 C ATOM 559 CZ PHE A 39 -3.709 -2.214 5.338 1.00 0.00 C ATOM 0 H PHE A 39 -2.475 -8.027 8.415 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.365 -5.469 8.580 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.257 -6.602 6.542 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.872 -6.599 7.223 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.260 -4.515 5.721 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.215 -4.594 7.208 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.706 -2.299 4.653 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.662 -2.378 6.140 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.901 -1.256 4.878 1.00 0.00 H new ATOM 569 N GLU A 40 -4.443 -5.657 9.738 1.00 0.00 N ATOM 570 CA GLU A 40 -5.424 -4.969 10.560 1.00 0.00 C ATOM 571 C GLU A 40 -4.742 -4.310 11.760 1.00 0.00 C ATOM 572 O GLU A 40 -4.778 -3.089 11.906 1.00 0.00 O ATOM 573 CB GLU A 40 -6.526 -5.928 11.014 1.00 0.00 C ATOM 574 CG GLU A 40 -7.911 -5.312 10.801 1.00 0.00 C ATOM 575 CD GLU A 40 -8.643 -5.134 12.132 1.00 0.00 C ATOM 576 OE1 GLU A 40 -8.452 -4.063 12.747 1.00 0.00 O ATOM 577 OE2 GLU A 40 -9.378 -6.074 12.506 1.00 0.00 O ATOM 0 H GLU A 40 -4.732 -6.578 9.409 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.891 -4.189 9.959 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.451 -6.863 10.459 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.390 -6.171 12.068 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.811 -4.347 10.305 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.499 -5.950 10.141 1.00 0.00 H new ATOM 584 N GLU A 41 -4.135 -5.147 12.589 1.00 0.00 N ATOM 585 CA GLU A 41 -3.446 -4.661 13.772 1.00 0.00 C ATOM 586 C GLU A 41 -2.535 -3.486 13.410 1.00 0.00 C ATOM 587 O GLU A 41 -2.540 -2.460 14.089 1.00 0.00 O ATOM 588 CB GLU A 41 -2.652 -5.783 14.445 1.00 0.00 C ATOM 589 CG GLU A 41 -3.004 -5.889 15.930 1.00 0.00 C ATOM 590 CD GLU A 41 -2.824 -4.542 16.634 1.00 0.00 C ATOM 591 OE1 GLU A 41 -1.654 -4.200 16.911 1.00 0.00 O ATOM 592 OE2 GLU A 41 -3.859 -3.887 16.878 1.00 0.00 O ATOM 0 H GLU A 41 -4.106 -6.159 12.464 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.193 -4.311 14.485 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.863 -6.731 13.949 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.584 -5.595 14.333 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.035 -6.226 16.040 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.371 -6.639 16.405 1.00 0.00 H new ATOM 599 N LYS A 42 -1.774 -3.676 12.342 1.00 0.00 N ATOM 600 CA LYS A 42 -0.860 -2.644 11.882 1.00 0.00 C ATOM 601 C LYS A 42 -1.634 -1.343 11.663 1.00 0.00 C ATOM 602 O LYS A 42 -1.259 -0.297 12.191 1.00 0.00 O ATOM 603 CB LYS A 42 -0.094 -3.120 10.645 1.00 0.00 C ATOM 604 CG LYS A 42 0.844 -4.277 10.993 1.00 0.00 C ATOM 605 CD LYS A 42 2.102 -4.244 10.122 1.00 0.00 C ATOM 606 CE LYS A 42 3.229 -5.062 10.756 1.00 0.00 C ATOM 607 NZ LYS A 42 4.494 -4.294 10.750 1.00 0.00 N ATOM 0 H LYS A 42 -1.772 -4.529 11.782 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.103 -2.441 12.639 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.799 -3.437 9.876 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.481 -2.293 10.229 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.124 -4.219 12.045 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.325 -5.225 10.853 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.874 -4.639 9.132 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.428 -3.213 9.987 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.963 -5.327 11.779 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.361 -5.995 10.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.244 -4.857 11.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.764 -4.077 9.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.364 -3.407 11.277 1.00 0.00 H new ATOM 621 N VAL A 43 -2.699 -1.450 10.883 1.00 0.00 N ATOM 622 CA VAL A 43 -3.530 -0.294 10.587 1.00 0.00 C ATOM 623 C VAL A 43 -3.835 0.454 11.886 1.00 0.00 C ATOM 624 O VAL A 43 -3.542 1.642 12.006 1.00 0.00 O ATOM 625 CB VAL A 43 -4.790 -0.733 9.839 1.00 0.00 C ATOM 626 CG1 VAL A 43 -5.832 0.387 9.817 1.00 0.00 C ATOM 627 CG2 VAL A 43 -4.453 -1.196 8.421 1.00 0.00 C ATOM 0 H VAL A 43 -3.006 -2.319 10.446 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.003 0.398 9.929 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.219 -1.580 10.374 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.718 0.049 9.279 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.106 0.649 10.839 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.416 1.262 9.317 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.367 -1.503 7.912 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.988 -0.377 7.872 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.763 -2.039 8.468 1.00 0.00 H new ATOM 637 N LYS A 44 -4.421 -0.273 12.827 1.00 0.00 N ATOM 638 CA LYS A 44 -4.770 0.307 14.112 1.00 0.00 C ATOM 639 C LYS A 44 -3.535 0.979 14.716 1.00 0.00 C ATOM 640 O LYS A 44 -3.604 2.119 15.173 1.00 0.00 O ATOM 641 CB LYS A 44 -5.402 -0.748 15.022 1.00 0.00 C ATOM 642 CG LYS A 44 -6.883 -0.942 14.689 1.00 0.00 C ATOM 643 CD LYS A 44 -7.491 -2.067 15.530 1.00 0.00 C ATOM 644 CE LYS A 44 -8.988 -2.212 15.251 1.00 0.00 C ATOM 645 NZ LYS A 44 -9.744 -2.317 16.520 1.00 0.00 N ATOM 0 H LYS A 44 -4.663 -1.259 12.724 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.526 1.082 13.987 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.873 -1.694 14.910 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.296 -0.445 16.064 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.425 -0.014 14.870 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.994 -1.174 13.630 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.984 -3.006 15.309 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.333 -1.861 16.589 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.342 -1.354 14.680 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.166 -3.097 14.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.758 -2.415 16.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.417 -3.149 17.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.588 -1.460 17.089 1.00 0.00 H new ATOM 659 N GLN A 45 -2.432 0.244 14.698 1.00 0.00 N ATOM 660 CA GLN A 45 -1.184 0.754 15.238 1.00 0.00 C ATOM 661 C GLN A 45 -0.877 2.134 14.653 1.00 0.00 C ATOM 662 O GLN A 45 -0.392 3.017 15.358 1.00 0.00 O ATOM 663 CB GLN A 45 -0.034 -0.221 14.974 1.00 0.00 C ATOM 664 CG GLN A 45 0.323 -1.002 16.240 1.00 0.00 C ATOM 665 CD GLN A 45 1.241 -0.183 17.150 1.00 0.00 C ATOM 666 OE1 GLN A 45 2.453 -0.174 17.007 1.00 0.00 O ATOM 667 NE2 GLN A 45 0.598 0.504 18.091 1.00 0.00 N ATOM 0 H GLN A 45 -2.378 -0.701 14.318 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.292 0.854 16.318 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.315 -0.915 14.181 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.840 0.328 14.622 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.588 -1.265 16.778 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.814 -1.937 15.969 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.419 0.452 18.155 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.122 1.083 18.748 1.00 0.00 H new ATOM 676 N LEU A 46 -1.174 2.277 13.370 1.00 0.00 N ATOM 677 CA LEU A 46 -0.936 3.535 12.682 1.00 0.00 C ATOM 678 C LEU A 46 -1.852 4.612 13.267 1.00 0.00 C ATOM 679 O LEU A 46 -1.403 5.715 13.572 1.00 0.00 O ATOM 680 CB LEU A 46 -1.085 3.356 11.170 1.00 0.00 C ATOM 681 CG LEU A 46 0.185 2.963 10.413 1.00 0.00 C ATOM 682 CD1 LEU A 46 -0.119 2.690 8.938 1.00 0.00 C ATOM 683 CD2 LEU A 46 1.276 4.021 10.587 1.00 0.00 C ATOM 0 H LEU A 46 -1.577 1.543 12.788 1.00 0.00 H new ATOM 0 HA LEU A 46 0.090 3.867 12.840 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.843 2.595 10.987 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.461 4.288 10.749 1.00 0.00 H new ATOM 0 HG LEU A 46 0.565 2.035 10.841 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.800 2.413 8.422 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.839 1.875 8.860 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.535 3.587 8.480 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.168 3.717 10.039 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.921 4.977 10.201 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.518 4.124 11.645 1.00 0.00 H new ATOM 695 N ILE A 47 -3.120 4.253 13.406 1.00 0.00 N ATOM 696 CA ILE A 47 -4.103 5.175 13.949 1.00 0.00 C ATOM 697 C ILE A 47 -3.732 5.518 15.393 1.00 0.00 C ATOM 698 O ILE A 47 -3.717 6.687 15.773 1.00 0.00 O ATOM 699 CB ILE A 47 -5.515 4.605 13.795 1.00 0.00 C ATOM 700 CG1 ILE A 47 -6.057 4.855 12.387 1.00 0.00 C ATOM 701 CG2 ILE A 47 -6.449 5.156 14.875 1.00 0.00 C ATOM 702 CD1 ILE A 47 -7.308 4.014 12.124 1.00 0.00 C ATOM 0 H ILE A 47 -3.489 3.337 13.152 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.099 6.110 13.388 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.464 3.525 13.933 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.293 5.912 12.267 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.291 4.614 11.650 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.446 4.735 14.743 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.068 4.884 15.859 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.500 6.242 14.793 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.673 4.211 11.116 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.063 2.956 12.221 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.081 4.275 12.847 1.00 0.00 H new ATOM 714 N ASP A 48 -3.442 4.476 16.159 1.00 0.00 N ATOM 715 CA ASP A 48 -3.071 4.652 17.553 1.00 0.00 C ATOM 716 C ASP A 48 -1.768 5.449 17.633 1.00 0.00 C ATOM 717 O ASP A 48 -1.616 6.311 18.498 1.00 0.00 O ATOM 718 CB ASP A 48 -2.843 3.302 18.236 1.00 0.00 C ATOM 719 CG ASP A 48 -3.923 2.894 19.240 1.00 0.00 C ATOM 720 OD1 ASP A 48 -4.127 3.668 20.200 1.00 0.00 O ATOM 721 OD2 ASP A 48 -4.519 1.817 19.025 1.00 0.00 O ATOM 0 H ASP A 48 -3.457 3.507 15.841 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.883 5.178 18.055 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.772 2.531 17.469 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.882 3.330 18.750 1.00 0.00 H new ATOM 726 N ILE A 49 -0.861 5.134 16.721 1.00 0.00 N ATOM 727 CA ILE A 49 0.424 5.810 16.678 1.00 0.00 C ATOM 728 C ILE A 49 0.222 7.249 16.199 1.00 0.00 C ATOM 729 O ILE A 49 0.373 8.192 16.974 1.00 0.00 O ATOM 730 CB ILE A 49 1.420 5.015 15.832 1.00 0.00 C ATOM 731 CG1 ILE A 49 1.819 3.715 16.533 1.00 0.00 C ATOM 732 CG2 ILE A 49 2.638 5.868 15.471 1.00 0.00 C ATOM 733 CD1 ILE A 49 2.316 2.678 15.523 1.00 0.00 C ATOM 0 H ILE A 49 -0.991 4.419 16.005 1.00 0.00 H new ATOM 0 HA ILE A 49 0.860 5.863 17.676 1.00 0.00 H new ATOM 0 HB ILE A 49 0.931 4.741 14.897 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.600 3.918 17.266 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.965 3.315 17.080 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.330 5.278 14.870 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.316 6.740 14.903 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.137 6.194 16.383 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.593 1.763 16.047 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.524 2.460 14.806 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.185 3.071 14.995 1.00 0.00 H new ATOM 745 N THR A 50 -0.117 7.373 14.924 1.00 0.00 N ATOM 746 CA THR A 50 -0.341 8.681 14.332 1.00 0.00 C ATOM 747 C THR A 50 -1.785 9.131 14.565 1.00 0.00 C ATOM 748 O THR A 50 -2.034 10.055 15.338 1.00 0.00 O ATOM 749 CB THR A 50 0.039 8.602 12.852 1.00 0.00 C ATOM 750 OG1 THR A 50 -0.962 7.766 12.280 1.00 0.00 O ATOM 751 CG2 THR A 50 1.342 7.833 12.623 1.00 0.00 C ATOM 0 H THR A 50 -0.242 6.589 14.284 1.00 0.00 H new ATOM 0 HA THR A 50 0.284 9.440 14.803 1.00 0.00 H new ATOM 0 HB THR A 50 0.136 9.610 12.448 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.749 6.827 12.465 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.566 7.806 11.557 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.155 8.329 13.152 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.234 6.815 12.997 1.00 0.00 H new ATOM 759 N GLY A 51 -2.699 8.458 13.882 1.00 0.00 N ATOM 760 CA GLY A 51 -4.111 8.777 14.004 1.00 0.00 C ATOM 761 C GLY A 51 -4.633 9.449 12.733 1.00 0.00 C ATOM 762 O GLY A 51 -5.606 10.201 12.779 1.00 0.00 O ATOM 0 H GLY A 51 -2.489 7.692 13.242 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.678 7.866 14.197 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.266 9.436 14.858 1.00 0.00 H new ATOM 766 N LYS A 52 -3.965 9.154 11.628 1.00 0.00 N ATOM 767 CA LYS A 52 -4.350 9.720 10.347 1.00 0.00 C ATOM 768 C LYS A 52 -5.580 8.981 9.816 1.00 0.00 C ATOM 769 O LYS A 52 -6.008 7.985 10.396 1.00 0.00 O ATOM 770 CB LYS A 52 -3.164 9.713 9.380 1.00 0.00 C ATOM 771 CG LYS A 52 -2.021 10.584 9.907 1.00 0.00 C ATOM 772 CD LYS A 52 -2.325 12.069 9.702 1.00 0.00 C ATOM 773 CE LYS A 52 -1.056 12.844 9.343 1.00 0.00 C ATOM 774 NZ LYS A 52 -1.346 13.866 8.313 1.00 0.00 N ATOM 0 H LYS A 52 -3.159 8.530 11.593 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.632 10.767 10.463 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.812 8.691 9.238 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.484 10.078 8.404 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.865 10.384 10.967 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.095 10.324 9.394 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.064 12.187 8.909 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.763 12.483 10.610 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.651 13.323 10.235 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.294 12.156 8.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.474 14.383 8.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.712 13.402 7.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.057 14.533 8.676 1.00 0.00 H new ATOM 788 N ASN A 53 -6.114 9.499 8.719 1.00 0.00 N ATOM 789 CA ASN A 53 -7.287 8.900 8.104 1.00 0.00 C ATOM 790 C ASN A 53 -7.090 7.386 8.007 1.00 0.00 C ATOM 791 O ASN A 53 -6.199 6.917 7.301 1.00 0.00 O ATOM 792 CB ASN A 53 -7.503 9.441 6.690 1.00 0.00 C ATOM 793 CG ASN A 53 -7.786 10.945 6.714 1.00 0.00 C ATOM 794 OD1 ASN A 53 -7.507 11.639 7.678 1.00 0.00 O ATOM 795 ND2 ASN A 53 -8.355 11.406 5.604 1.00 0.00 N ATOM 0 H ASN A 53 -5.756 10.326 8.241 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.153 9.144 8.720 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.620 9.243 6.083 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.336 8.918 6.220 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.585 12.396 5.522 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.561 10.769 4.834 1.00 0.00 H new ATOM 802 N GLN A 54 -7.936 6.664 8.726 1.00 0.00 N ATOM 803 CA GLN A 54 -7.867 5.213 8.729 1.00 0.00 C ATOM 804 C GLN A 54 -7.536 4.694 7.328 1.00 0.00 C ATOM 805 O GLN A 54 -6.540 3.997 7.139 1.00 0.00 O ATOM 806 CB GLN A 54 -9.171 4.602 9.247 1.00 0.00 C ATOM 807 CG GLN A 54 -9.002 3.108 9.531 1.00 0.00 C ATOM 808 CD GLN A 54 -10.037 2.623 10.547 1.00 0.00 C ATOM 809 OE1 GLN A 54 -10.100 3.083 11.676 1.00 0.00 O ATOM 810 NE2 GLN A 54 -10.843 1.671 10.086 1.00 0.00 N ATOM 0 H GLN A 54 -8.673 7.057 9.311 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.069 4.909 9.406 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.481 5.116 10.157 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.963 4.749 8.512 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.105 2.544 8.604 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.998 2.917 9.910 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.736 1.331 9.130 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.568 1.281 10.688 1.00 0.00 H new ATOM 819 N ASP A 55 -8.391 5.054 6.382 1.00 0.00 N ATOM 820 CA ASP A 55 -8.202 4.633 5.004 1.00 0.00 C ATOM 821 C ASP A 55 -6.748 4.877 4.595 1.00 0.00 C ATOM 822 O ASP A 55 -6.032 3.939 4.248 1.00 0.00 O ATOM 823 CB ASP A 55 -9.100 5.432 4.057 1.00 0.00 C ATOM 824 CG ASP A 55 -9.480 6.829 4.550 1.00 0.00 C ATOM 825 OD1 ASP A 55 -10.168 6.896 5.592 1.00 0.00 O ATOM 826 OD2 ASP A 55 -9.074 7.799 3.875 1.00 0.00 O ATOM 0 H ASP A 55 -9.216 5.632 6.542 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.456 3.575 4.936 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.595 5.527 3.096 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.014 4.864 3.882 1.00 0.00 H new ATOM 831 N GLU A 56 -6.355 6.141 4.651 1.00 0.00 N ATOM 832 CA GLU A 56 -5.000 6.520 4.291 1.00 0.00 C ATOM 833 C GLU A 56 -3.994 5.556 4.923 1.00 0.00 C ATOM 834 O GLU A 56 -3.061 5.103 4.261 1.00 0.00 O ATOM 835 CB GLU A 56 -4.707 7.965 4.701 1.00 0.00 C ATOM 836 CG GLU A 56 -5.515 8.949 3.853 1.00 0.00 C ATOM 837 CD GLU A 56 -4.794 9.264 2.541 1.00 0.00 C ATOM 838 OE1 GLU A 56 -3.710 9.880 2.623 1.00 0.00 O ATOM 839 OE2 GLU A 56 -5.343 8.880 1.486 1.00 0.00 O ATOM 0 H GLU A 56 -6.952 6.916 4.940 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.902 6.458 3.207 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.948 8.104 5.755 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.643 8.170 4.588 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.498 8.529 3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.677 9.870 4.413 1.00 0.00 H new ATOM 846 N CYS A 57 -4.216 5.271 6.198 1.00 0.00 N ATOM 847 CA CYS A 57 -3.341 4.369 6.927 1.00 0.00 C ATOM 848 C CYS A 57 -3.301 3.032 6.184 1.00 0.00 C ATOM 849 O CYS A 57 -2.229 2.550 5.824 1.00 0.00 O ATOM 850 CB CYS A 57 -3.786 4.201 8.381 1.00 0.00 C ATOM 851 SG CYS A 57 -3.830 5.829 9.215 1.00 0.00 S ATOM 0 H CYS A 57 -4.990 5.649 6.745 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.336 4.789 6.970 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.772 3.738 8.417 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.102 3.534 8.904 1.00 0.00 H new ATOM 0 HG CYS A 57 -4.706 6.592 8.632 1.00 0.00 H new ATOM 857 N VAL A 58 -4.484 2.472 5.976 1.00 0.00 N ATOM 858 CA VAL A 58 -4.598 1.201 5.282 1.00 0.00 C ATOM 859 C VAL A 58 -3.825 1.273 3.964 1.00 0.00 C ATOM 860 O VAL A 58 -3.067 0.362 3.634 1.00 0.00 O ATOM 861 CB VAL A 58 -6.073 0.839 5.092 1.00 0.00 C ATOM 862 CG1 VAL A 58 -6.231 -0.313 4.097 1.00 0.00 C ATOM 863 CG2 VAL A 58 -6.732 0.501 6.431 1.00 0.00 C ATOM 0 H VAL A 58 -5.371 2.875 6.276 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.155 0.401 5.875 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.581 1.711 4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.288 -0.550 3.980 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.816 -0.020 3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.701 -1.190 4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.779 0.248 6.267 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.220 -0.348 6.885 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.667 1.362 7.096 1.00 0.00 H new ATOM 873 N ILE A 59 -4.045 2.364 3.245 1.00 0.00 N ATOM 874 CA ILE A 59 -3.378 2.567 1.970 1.00 0.00 C ATOM 875 C ILE A 59 -1.872 2.701 2.202 1.00 0.00 C ATOM 876 O ILE A 59 -1.105 1.804 1.857 1.00 0.00 O ATOM 877 CB ILE A 59 -3.994 3.754 1.227 1.00 0.00 C ATOM 878 CG1 ILE A 59 -5.454 3.476 0.864 1.00 0.00 C ATOM 879 CG2 ILE A 59 -3.159 4.125 -0.001 1.00 0.00 C ATOM 880 CD1 ILE A 59 -6.367 4.596 1.368 1.00 0.00 C ATOM 0 H ILE A 59 -4.676 3.117 3.521 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.525 1.703 1.322 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.987 4.616 1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.552 3.381 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.766 2.525 1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.619 4.971 -0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.150 4.394 0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.113 3.274 -0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.399 4.374 1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.285 4.672 2.452 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.068 5.541 0.914 1.00 0.00 H new ATOM 892 N ALA A 60 -1.494 3.829 2.786 1.00 0.00 N ATOM 893 CA ALA A 60 -0.093 4.092 3.069 1.00 0.00 C ATOM 894 C ALA A 60 0.571 2.808 3.572 1.00 0.00 C ATOM 895 O ALA A 60 1.638 2.429 3.093 1.00 0.00 O ATOM 896 CB ALA A 60 0.018 5.239 4.075 1.00 0.00 C ATOM 0 H ALA A 60 -2.133 4.571 3.071 1.00 0.00 H new ATOM 0 HA ALA A 60 0.430 4.401 2.164 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.069 5.436 4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.442 6.135 3.658 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.493 4.964 4.998 1.00 0.00 H new ATOM 902 N LEU A 61 -0.088 2.176 4.531 1.00 0.00 N ATOM 903 CA LEU A 61 0.425 0.943 5.104 1.00 0.00 C ATOM 904 C LEU A 61 0.872 0.009 3.978 1.00 0.00 C ATOM 905 O LEU A 61 2.058 -0.292 3.850 1.00 0.00 O ATOM 906 CB LEU A 61 -0.607 0.320 6.047 1.00 0.00 C ATOM 907 CG LEU A 61 -0.160 -0.939 6.793 1.00 0.00 C ATOM 908 CD1 LEU A 61 1.278 -0.797 7.296 1.00 0.00 C ATOM 909 CD2 LEU A 61 -1.132 -1.280 7.924 1.00 0.00 C ATOM 0 H LEU A 61 -0.973 2.494 4.926 1.00 0.00 H new ATOM 0 HA LEU A 61 1.303 1.145 5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.897 1.070 6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.499 0.078 5.469 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.175 -1.774 6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.571 -1.705 7.823 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.946 -0.637 6.449 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.344 0.053 7.975 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.791 -2.179 8.438 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.173 -0.451 8.631 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.125 -1.453 7.510 1.00 0.00 H new ATOM 921 N HIS A 62 -0.101 -0.423 3.189 1.00 0.00 N ATOM 922 CA HIS A 62 0.177 -1.316 2.078 1.00 0.00 C ATOM 923 C HIS A 62 1.101 -0.618 1.077 1.00 0.00 C ATOM 924 O HIS A 62 2.153 -1.149 0.724 1.00 0.00 O ATOM 925 CB HIS A 62 -1.123 -1.810 1.439 1.00 0.00 C ATOM 926 CG HIS A 62 -0.949 -2.372 0.049 1.00 0.00 C ATOM 927 ND1 HIS A 62 -1.086 -3.719 -0.239 1.00 0.00 N ATOM 928 CD2 HIS A 62 -0.649 -1.755 -1.131 1.00 0.00 C ATOM 929 CE1 HIS A 62 -0.875 -3.894 -1.535 1.00 0.00 C ATOM 930 NE2 HIS A 62 -0.604 -2.676 -2.086 1.00 0.00 N ATOM 0 H HIS A 62 -1.083 -0.171 3.298 1.00 0.00 H new ATOM 0 HA HIS A 62 0.695 -2.203 2.441 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.561 -2.577 2.078 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.833 -0.984 1.400 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.477 -0.697 -1.265 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.911 -4.836 -2.063 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.400 -2.502 -3.070 1.00 0.00 H new ATOM 938 N ASP A 63 0.674 0.561 0.650 1.00 0.00 N ATOM 939 CA ASP A 63 1.450 1.337 -0.303 1.00 0.00 C ATOM 940 C ASP A 63 2.936 1.221 0.041 1.00 0.00 C ATOM 941 O ASP A 63 3.751 0.886 -0.817 1.00 0.00 O ATOM 942 CB ASP A 63 1.066 2.817 -0.250 1.00 0.00 C ATOM 943 CG ASP A 63 0.892 3.490 -1.613 1.00 0.00 C ATOM 944 OD1 ASP A 63 0.957 2.754 -2.621 1.00 0.00 O ATOM 945 OD2 ASP A 63 0.698 4.724 -1.616 1.00 0.00 O ATOM 0 H ASP A 63 -0.199 0.998 0.946 1.00 0.00 H new ATOM 0 HA ASP A 63 1.247 0.947 -1.300 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.135 2.915 0.308 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.831 3.355 0.309 1.00 0.00 H new ATOM 950 N CYS A 64 3.243 1.504 1.298 1.00 0.00 N ATOM 951 CA CYS A 64 4.617 1.436 1.766 1.00 0.00 C ATOM 952 C CYS A 64 5.098 -0.011 1.636 1.00 0.00 C ATOM 953 O CYS A 64 5.948 -0.314 0.800 1.00 0.00 O ATOM 954 CB CYS A 64 4.753 1.955 3.199 1.00 0.00 C ATOM 955 SG CYS A 64 5.932 3.355 3.248 1.00 0.00 S ATOM 0 H CYS A 64 2.564 1.781 2.007 1.00 0.00 H new ATOM 0 HA CYS A 64 5.245 2.083 1.153 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.780 2.275 3.573 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.099 1.155 3.853 1.00 0.00 H new ATOM 0 HG CYS A 64 5.664 4.113 4.270 1.00 0.00 H new ATOM 961 N ASN A 65 4.532 -0.866 2.475 1.00 0.00 N ATOM 962 CA ASN A 65 4.893 -2.274 2.464 1.00 0.00 C ATOM 963 C ASN A 65 4.257 -2.968 3.670 1.00 0.00 C ATOM 964 O ASN A 65 4.892 -3.796 4.321 1.00 0.00 O ATOM 965 CB ASN A 65 6.409 -2.456 2.559 1.00 0.00 C ATOM 966 CG ASN A 65 6.901 -3.492 1.548 1.00 0.00 C ATOM 967 OD1 ASN A 65 6.196 -3.893 0.637 1.00 0.00 O ATOM 968 ND2 ASN A 65 8.149 -3.903 1.758 1.00 0.00 N ATOM 0 H ASN A 65 3.827 -0.611 3.166 1.00 0.00 H new ATOM 0 HA ASN A 65 4.537 -2.706 1.529 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.905 -1.502 2.379 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.679 -2.770 3.567 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.570 -4.594 1.137 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.685 -3.527 2.540 1.00 0.00 H new ATOM 975 N GLY A 66 3.010 -2.605 3.932 1.00 0.00 N ATOM 976 CA GLY A 66 2.281 -3.183 5.048 1.00 0.00 C ATOM 977 C GLY A 66 3.044 -2.990 6.360 1.00 0.00 C ATOM 978 O GLY A 66 2.769 -3.669 7.348 1.00 0.00 O ATOM 0 H GLY A 66 2.486 -1.918 3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.297 -2.719 5.124 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.120 -4.246 4.870 1.00 0.00 H new ATOM 982 N ASP A 67 3.988 -2.061 6.327 1.00 0.00 N ATOM 983 CA ASP A 67 4.793 -1.770 7.501 1.00 0.00 C ATOM 984 C ASP A 67 4.265 -0.502 8.175 1.00 0.00 C ATOM 985 O ASP A 67 4.165 0.547 7.540 1.00 0.00 O ATOM 986 CB ASP A 67 6.255 -1.529 7.121 1.00 0.00 C ATOM 987 CG ASP A 67 7.244 -2.560 7.669 1.00 0.00 C ATOM 988 OD1 ASP A 67 7.143 -2.855 8.880 1.00 0.00 O ATOM 989 OD2 ASP A 67 8.079 -3.029 6.866 1.00 0.00 O ATOM 0 H ASP A 67 4.213 -1.500 5.506 1.00 0.00 H new ATOM 0 HA ASP A 67 4.731 -2.627 8.172 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.334 -1.514 6.034 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.549 -0.541 7.476 1.00 0.00 H new ATOM 994 N VAL A 68 3.942 -0.639 9.453 1.00 0.00 N ATOM 995 CA VAL A 68 3.427 0.483 10.219 1.00 0.00 C ATOM 996 C VAL A 68 4.483 1.589 10.268 1.00 0.00 C ATOM 997 O VAL A 68 4.150 2.772 10.211 1.00 0.00 O ATOM 998 CB VAL A 68 2.991 0.011 11.608 1.00 0.00 C ATOM 999 CG1 VAL A 68 3.018 1.165 12.612 1.00 0.00 C ATOM 1000 CG2 VAL A 68 1.607 -0.639 11.557 1.00 0.00 C ATOM 0 H VAL A 68 4.027 -1.510 9.977 1.00 0.00 H new ATOM 0 HA VAL A 68 2.542 0.900 9.739 1.00 0.00 H new ATOM 0 HB VAL A 68 3.703 -0.743 11.944 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.704 0.803 13.591 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.030 1.564 12.680 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.339 1.951 12.281 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.321 -0.965 12.557 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.879 0.084 11.189 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.634 -1.499 10.888 1.00 0.00 H new ATOM 1010 N ASN A 69 5.734 1.165 10.373 1.00 0.00 N ATOM 1011 CA ASN A 69 6.840 2.106 10.429 1.00 0.00 C ATOM 1012 C ASN A 69 6.980 2.804 9.075 1.00 0.00 C ATOM 1013 O ASN A 69 6.781 4.013 8.973 1.00 0.00 O ATOM 1014 CB ASN A 69 8.158 1.388 10.730 1.00 0.00 C ATOM 1015 CG ASN A 69 7.945 0.245 11.725 1.00 0.00 C ATOM 1016 OD1 ASN A 69 7.317 -0.759 11.431 1.00 0.00 O ATOM 1017 ND2 ASN A 69 8.502 0.452 12.914 1.00 0.00 N ATOM 0 H ASN A 69 6.006 0.183 10.421 1.00 0.00 H new ATOM 0 HA ASN A 69 6.631 2.825 11.221 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.582 0.996 9.806 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.879 2.098 11.135 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.417 -0.253 13.647 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.014 1.315 13.094 1.00 0.00 H new ATOM 1024 N ARG A 70 7.323 2.012 8.070 1.00 0.00 N ATOM 1025 CA ARG A 70 7.492 2.539 6.726 1.00 0.00 C ATOM 1026 C ARG A 70 6.339 3.482 6.377 1.00 0.00 C ATOM 1027 O ARG A 70 6.544 4.504 5.724 1.00 0.00 O ATOM 1028 CB ARG A 70 7.549 1.410 5.695 1.00 0.00 C ATOM 1029 CG ARG A 70 8.860 0.630 5.808 1.00 0.00 C ATOM 1030 CD ARG A 70 9.763 0.897 4.601 1.00 0.00 C ATOM 1031 NE ARG A 70 10.889 -0.063 4.589 1.00 0.00 N ATOM 1032 CZ ARG A 70 12.008 0.101 3.870 1.00 0.00 C ATOM 1033 NH1 ARG A 70 12.157 1.188 3.101 1.00 0.00 N ATOM 1034 NH2 ARG A 70 12.977 -0.823 3.920 1.00 0.00 N ATOM 0 H ARG A 70 7.489 1.009 8.159 1.00 0.00 H new ATOM 0 HA ARG A 70 8.434 3.087 6.700 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.706 0.735 5.843 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.453 1.824 4.691 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.378 0.913 6.724 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.648 -0.437 5.879 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.188 0.807 3.679 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.145 1.917 4.641 1.00 0.00 H new ATOM 0 HE ARG A 70 10.808 -0.902 5.164 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.419 1.891 3.063 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.009 1.313 2.554 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.863 -1.651 4.505 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.829 -0.699 3.373 1.00 0.00 H new ATOM 1048 N ALA A 71 5.151 3.105 6.827 1.00 0.00 N ATOM 1049 CA ALA A 71 3.965 3.904 6.570 1.00 0.00 C ATOM 1050 C ALA A 71 4.127 5.275 7.230 1.00 0.00 C ATOM 1051 O ALA A 71 3.997 6.305 6.570 1.00 0.00 O ATOM 1052 CB ALA A 71 2.728 3.158 7.071 1.00 0.00 C ATOM 0 H ALA A 71 4.985 2.257 7.368 1.00 0.00 H new ATOM 0 HA ALA A 71 3.836 4.066 5.500 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.838 3.758 6.878 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.643 2.204 6.550 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.820 2.980 8.142 1.00 0.00 H new ATOM 1058 N ILE A 72 4.407 5.243 8.525 1.00 0.00 N ATOM 1059 CA ILE A 72 4.587 6.470 9.282 1.00 0.00 C ATOM 1060 C ILE A 72 5.392 7.467 8.445 1.00 0.00 C ATOM 1061 O ILE A 72 5.016 8.633 8.331 1.00 0.00 O ATOM 1062 CB ILE A 72 5.208 6.171 10.648 1.00 0.00 C ATOM 1063 CG1 ILE A 72 4.174 5.566 11.600 1.00 0.00 C ATOM 1064 CG2 ILE A 72 5.868 7.420 11.236 1.00 0.00 C ATOM 1065 CD1 ILE A 72 4.815 4.516 12.509 1.00 0.00 C ATOM 0 H ILE A 72 4.514 4.387 9.069 1.00 0.00 H new ATOM 0 HA ILE A 72 3.623 6.934 9.491 1.00 0.00 H new ATOM 0 HB ILE A 72 5.993 5.427 10.511 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.728 6.354 12.207 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.367 5.111 11.025 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.301 7.180 12.207 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.653 7.767 10.564 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.120 8.204 11.356 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.059 4.102 13.176 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.239 3.717 11.900 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.605 4.980 13.100 1.00 0.00 H new ATOM 1077 N ASN A 73 6.484 6.972 7.881 1.00 0.00 N ATOM 1078 CA ASN A 73 7.345 7.804 7.059 1.00 0.00 C ATOM 1079 C ASN A 73 6.492 8.560 6.038 1.00 0.00 C ATOM 1080 O ASN A 73 6.659 9.765 5.855 1.00 0.00 O ATOM 1081 CB ASN A 73 8.360 6.956 6.290 1.00 0.00 C ATOM 1082 CG ASN A 73 9.779 7.194 6.811 1.00 0.00 C ATOM 1083 OD1 ASN A 73 10.499 8.064 6.350 1.00 0.00 O ATOM 1084 ND2 ASN A 73 10.139 6.374 7.795 1.00 0.00 N ATOM 0 H ASN A 73 6.792 6.004 7.977 1.00 0.00 H new ATOM 0 HA ASN A 73 7.875 8.493 7.716 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.105 5.901 6.387 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.313 7.199 5.229 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.067 6.452 8.210 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.487 5.667 8.134 1.00 0.00 H new ATOM 1091 N VAL A 74 5.596 7.821 5.400 1.00 0.00 N ATOM 1092 CA VAL A 74 4.717 8.407 4.402 1.00 0.00 C ATOM 1093 C VAL A 74 3.600 9.181 5.105 1.00 0.00 C ATOM 1094 O VAL A 74 3.374 10.354 4.812 1.00 0.00 O ATOM 1095 CB VAL A 74 4.191 7.318 3.464 1.00 0.00 C ATOM 1096 CG1 VAL A 74 3.326 7.921 2.355 1.00 0.00 C ATOM 1097 CG2 VAL A 74 5.341 6.497 2.878 1.00 0.00 C ATOM 0 H VAL A 74 5.460 6.822 5.555 1.00 0.00 H new ATOM 0 HA VAL A 74 5.263 9.116 3.781 1.00 0.00 H new ATOM 0 HB VAL A 74 3.564 6.645 4.049 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.965 7.126 1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.477 8.441 2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.920 8.626 1.773 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.940 5.730 2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.006 7.152 2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.898 6.023 3.686 1.00 0.00 H new ATOM 1107 N LEU A 75 2.931 8.494 6.019 1.00 0.00 N ATOM 1108 CA LEU A 75 1.844 9.102 6.766 1.00 0.00 C ATOM 1109 C LEU A 75 2.290 10.471 7.285 1.00 0.00 C ATOM 1110 O LEU A 75 1.748 11.498 6.881 1.00 0.00 O ATOM 1111 CB LEU A 75 1.354 8.158 7.865 1.00 0.00 C ATOM 1112 CG LEU A 75 0.219 7.207 7.477 1.00 0.00 C ATOM 1113 CD1 LEU A 75 0.098 6.059 8.480 1.00 0.00 C ATOM 1114 CD2 LEU A 75 -1.099 7.966 7.312 1.00 0.00 C ATOM 0 H LEU A 75 3.121 7.521 6.259 1.00 0.00 H new ATOM 0 HA LEU A 75 0.985 9.271 6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.200 7.562 8.208 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.024 8.759 8.712 1.00 0.00 H new ATOM 0 HG LEU A 75 0.459 6.765 6.510 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.716 5.399 8.181 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.032 5.497 8.504 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.108 6.462 9.471 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.889 7.268 7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.358 8.454 8.252 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.990 8.718 6.530 1.00 0.00 H new ATOM 1126 N LEU A 76 3.273 10.440 8.172 1.00 0.00 N ATOM 1127 CA LEU A 76 3.799 11.665 8.750 1.00 0.00 C ATOM 1128 C LEU A 76 3.980 12.708 7.646 1.00 0.00 C ATOM 1129 O LEU A 76 3.298 13.732 7.636 1.00 0.00 O ATOM 1130 CB LEU A 76 5.076 11.379 9.542 1.00 0.00 C ATOM 1131 CG LEU A 76 4.881 10.812 10.950 1.00 0.00 C ATOM 1132 CD1 LEU A 76 6.210 10.339 11.540 1.00 0.00 C ATOM 1133 CD2 LEU A 76 4.180 11.827 11.856 1.00 0.00 C ATOM 0 H LEU A 76 3.719 9.585 8.505 1.00 0.00 H new ATOM 0 HA LEU A 76 3.093 12.081 9.469 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.684 10.678 8.971 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.646 12.305 9.621 1.00 0.00 H new ATOM 0 HG LEU A 76 4.232 9.939 10.880 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.043 9.941 12.541 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.633 9.560 10.906 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.903 11.178 11.595 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.053 11.400 12.851 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.784 12.732 11.924 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.203 12.073 11.439 1.00 0.00 H new