USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=5 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= 0.00461 (180deg=0.00303) USER MOD Single : A 44 LYS NZ :NH3+ 165:sc=-0.000181 (180deg=-0.0843) USER MOD Single : A 45 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.17) USER MOD Single : A 50 THR OG1 : rot -80:sc= 0.939! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 54 GLN : amide:sc= -0.0066 X(o=-0.0066,f=0) USER MOD Single : A 57 CYS SG : rot 113:sc= -0.355 USER MOD Single : A 62 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-0.31) USER MOD Single : A 64 CYS SG : rot 88:sc= -4.53 USER MOD Single : A 65 ASN : amide:sc= -2.46! C(o=-2.5!,f=-3.8!) USER MOD Single : A 69 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.34) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 527 N ALA A 37 -5.664 -10.204 9.997 1.00 0.00 N ATOM 528 CA ALA A 37 -5.487 -9.763 11.370 1.00 0.00 C ATOM 529 C ALA A 37 -4.192 -8.957 11.480 1.00 0.00 C ATOM 530 O ALA A 37 -4.193 -7.841 11.998 1.00 0.00 O ATOM 531 CB ALA A 37 -5.499 -10.977 12.302 1.00 0.00 C ATOM 0 HA ALA A 37 -6.307 -9.112 11.672 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.366 -10.646 13.332 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.452 -11.498 12.208 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.688 -11.652 12.030 1.00 0.00 H new ATOM 537 N ASP A 38 -3.117 -9.552 10.983 1.00 0.00 N ATOM 538 CA ASP A 38 -1.818 -8.903 11.019 1.00 0.00 C ATOM 539 C ASP A 38 -1.958 -7.464 10.519 1.00 0.00 C ATOM 540 O ASP A 38 -1.762 -6.517 11.279 1.00 0.00 O ATOM 541 CB ASP A 38 -0.818 -9.623 10.112 1.00 0.00 C ATOM 542 CG ASP A 38 -0.655 -11.119 10.389 1.00 0.00 C ATOM 543 OD1 ASP A 38 -0.862 -11.506 11.559 1.00 0.00 O ATOM 544 OD2 ASP A 38 -0.326 -11.842 9.424 1.00 0.00 O ATOM 0 H ASP A 38 -3.120 -10.477 10.553 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.456 -8.928 12.047 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.131 -9.493 9.076 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.155 -9.142 10.214 1.00 0.00 H new ATOM 549 N PHE A 39 -2.296 -7.344 9.243 1.00 0.00 N ATOM 550 CA PHE A 39 -2.464 -6.037 8.633 1.00 0.00 C ATOM 551 C PHE A 39 -3.433 -5.174 9.444 1.00 0.00 C ATOM 552 O PHE A 39 -3.203 -3.979 9.626 1.00 0.00 O ATOM 553 CB PHE A 39 -3.049 -6.266 7.238 1.00 0.00 C ATOM 554 CG PHE A 39 -3.322 -4.978 6.458 1.00 0.00 C ATOM 555 CD1 PHE A 39 -2.303 -4.118 6.189 1.00 0.00 C ATOM 556 CD2 PHE A 39 -4.582 -4.694 6.033 1.00 0.00 C ATOM 557 CE1 PHE A 39 -2.556 -2.922 5.465 1.00 0.00 C ATOM 558 CE2 PHE A 39 -4.835 -3.499 5.309 1.00 0.00 C ATOM 559 CZ PHE A 39 -3.816 -2.638 5.040 1.00 0.00 C ATOM 0 H PHE A 39 -2.458 -8.131 8.615 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.505 -5.520 8.592 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.361 -6.887 6.664 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.980 -6.825 7.333 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.302 -4.344 6.526 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.391 -5.378 6.246 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.747 -2.238 5.252 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.836 -3.273 4.972 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.008 -1.729 4.489 1.00 0.00 H new ATOM 569 N GLU A 40 -4.496 -5.812 9.910 1.00 0.00 N ATOM 570 CA GLU A 40 -5.501 -5.118 10.697 1.00 0.00 C ATOM 571 C GLU A 40 -4.857 -4.464 11.921 1.00 0.00 C ATOM 572 O GLU A 40 -4.972 -3.255 12.116 1.00 0.00 O ATOM 573 CB GLU A 40 -6.626 -6.069 11.112 1.00 0.00 C ATOM 574 CG GLU A 40 -7.710 -6.138 10.034 1.00 0.00 C ATOM 575 CD GLU A 40 -8.987 -6.779 10.582 1.00 0.00 C ATOM 576 OE1 GLU A 40 -8.847 -7.714 11.399 1.00 0.00 O ATOM 577 OE2 GLU A 40 -10.074 -6.319 10.171 1.00 0.00 O ATOM 0 H GLU A 40 -4.683 -6.803 9.758 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.941 -4.335 10.080 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.219 -7.065 11.288 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.063 -5.733 12.052 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.930 -5.135 9.669 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.346 -6.714 9.183 1.00 0.00 H new ATOM 584 N GLU A 41 -4.193 -5.292 12.715 1.00 0.00 N ATOM 585 CA GLU A 41 -3.531 -4.809 13.914 1.00 0.00 C ATOM 586 C GLU A 41 -2.588 -3.654 13.571 1.00 0.00 C ATOM 587 O GLU A 41 -2.457 -2.704 14.342 1.00 0.00 O ATOM 588 CB GLU A 41 -2.780 -5.940 14.619 1.00 0.00 C ATOM 589 CG GLU A 41 -3.421 -6.267 15.969 1.00 0.00 C ATOM 590 CD GLU A 41 -2.781 -5.449 17.093 1.00 0.00 C ATOM 591 OE1 GLU A 41 -1.579 -5.678 17.347 1.00 0.00 O ATOM 592 OE2 GLU A 41 -3.508 -4.613 17.671 1.00 0.00 O ATOM 0 H GLU A 41 -4.100 -6.294 12.551 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.292 -4.439 14.602 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.779 -6.829 13.988 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.739 -5.653 14.767 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.490 -6.060 15.927 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.310 -7.331 16.180 1.00 0.00 H new ATOM 599 N LYS A 42 -1.954 -3.773 12.414 1.00 0.00 N ATOM 600 CA LYS A 42 -1.027 -2.751 11.960 1.00 0.00 C ATOM 601 C LYS A 42 -1.793 -1.452 11.701 1.00 0.00 C ATOM 602 O LYS A 42 -1.468 -0.412 12.272 1.00 0.00 O ATOM 603 CB LYS A 42 -0.232 -3.248 10.750 1.00 0.00 C ATOM 604 CG LYS A 42 0.881 -4.205 11.181 1.00 0.00 C ATOM 605 CD LYS A 42 2.032 -4.196 10.173 1.00 0.00 C ATOM 606 CE LYS A 42 3.152 -5.141 10.612 1.00 0.00 C ATOM 607 NZ LYS A 42 4.474 -4.584 10.246 1.00 0.00 N ATOM 0 H LYS A 42 -2.064 -4.562 11.777 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.288 -2.537 12.732 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.901 -3.753 10.053 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.199 -2.399 10.220 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.252 -3.918 12.165 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.482 -5.215 11.274 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.663 -4.494 9.192 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.424 -3.184 10.072 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.102 -5.297 11.690 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.019 -6.115 10.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.222 -5.246 10.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.518 -4.441 9.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.612 -3.673 10.728 1.00 0.00 H new ATOM 621 N VAL A 43 -2.795 -1.555 10.840 1.00 0.00 N ATOM 622 CA VAL A 43 -3.609 -0.401 10.499 1.00 0.00 C ATOM 623 C VAL A 43 -3.932 0.384 11.771 1.00 0.00 C ATOM 624 O VAL A 43 -3.718 1.594 11.829 1.00 0.00 O ATOM 625 CB VAL A 43 -4.860 -0.850 9.740 1.00 0.00 C ATOM 626 CG1 VAL A 43 -5.904 0.268 9.695 1.00 0.00 C ATOM 627 CG2 VAL A 43 -4.505 -1.325 8.330 1.00 0.00 C ATOM 0 H VAL A 43 -3.061 -2.419 10.369 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.063 0.268 9.834 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.294 -1.693 10.278 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.783 -0.077 9.150 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.190 0.540 10.711 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.483 1.139 9.192 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.412 -1.638 7.813 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.036 -0.510 7.779 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.814 -2.166 8.392 1.00 0.00 H new ATOM 637 N LYS A 44 -4.441 -0.336 12.760 1.00 0.00 N ATOM 638 CA LYS A 44 -4.795 0.279 14.028 1.00 0.00 C ATOM 639 C LYS A 44 -3.560 0.959 14.623 1.00 0.00 C ATOM 640 O LYS A 44 -3.642 2.085 15.111 1.00 0.00 O ATOM 641 CB LYS A 44 -5.440 -0.749 14.960 1.00 0.00 C ATOM 642 CG LYS A 44 -6.902 -0.992 14.581 1.00 0.00 C ATOM 643 CD LYS A 44 -7.480 -2.178 15.357 1.00 0.00 C ATOM 644 CE LYS A 44 -7.959 -1.744 16.744 1.00 0.00 C ATOM 645 NZ LYS A 44 -9.246 -1.019 16.644 1.00 0.00 N ATOM 0 H LYS A 44 -4.617 -1.339 12.709 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.546 1.055 13.879 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.887 -1.687 14.911 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.381 -0.398 15.990 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.489 -0.097 14.788 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.977 -1.182 13.510 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.311 -2.611 14.800 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.723 -2.956 15.457 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.076 -2.618 17.385 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.210 -1.104 17.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.682 -0.955 17.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.077 -0.062 16.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.884 -1.531 16.001 1.00 0.00 H new ATOM 659 N GLN A 45 -2.445 0.246 14.563 1.00 0.00 N ATOM 660 CA GLN A 45 -1.195 0.767 15.089 1.00 0.00 C ATOM 661 C GLN A 45 -0.868 2.116 14.445 1.00 0.00 C ATOM 662 O GLN A 45 -0.356 3.017 15.107 1.00 0.00 O ATOM 663 CB GLN A 45 -0.054 -0.231 14.880 1.00 0.00 C ATOM 664 CG GLN A 45 0.285 -0.956 16.184 1.00 0.00 C ATOM 665 CD GLN A 45 1.661 -0.536 16.703 1.00 0.00 C ATOM 666 OE1 GLN A 45 2.695 -0.917 16.178 1.00 0.00 O ATOM 667 NE2 GLN A 45 1.618 0.268 17.762 1.00 0.00 N ATOM 0 H GLN A 45 -2.381 -0.688 14.158 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.310 0.918 16.162 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.337 -0.958 14.118 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.828 0.292 14.510 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.474 -0.735 16.935 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.267 -2.034 16.020 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.719 0.549 18.153 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.484 0.603 18.183 1.00 0.00 H new ATOM 676 N LEU A 46 -1.178 2.212 13.160 1.00 0.00 N ATOM 677 CA LEU A 46 -0.924 3.436 12.418 1.00 0.00 C ATOM 678 C LEU A 46 -1.804 4.557 12.976 1.00 0.00 C ATOM 679 O LEU A 46 -1.332 5.672 13.191 1.00 0.00 O ATOM 680 CB LEU A 46 -1.105 3.200 10.918 1.00 0.00 C ATOM 681 CG LEU A 46 0.126 2.692 10.165 1.00 0.00 C ATOM 682 CD1 LEU A 46 -0.208 2.401 8.700 1.00 0.00 C ATOM 683 CD2 LEU A 46 1.295 3.670 10.302 1.00 0.00 C ATOM 0 H LEU A 46 -1.603 1.462 12.614 1.00 0.00 H new ATOM 0 HA LEU A 46 0.112 3.751 12.544 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.913 2.482 10.778 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.426 4.135 10.460 1.00 0.00 H new ATOM 0 HG LEU A 46 0.438 1.751 10.617 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.684 2.041 8.188 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.987 1.640 8.649 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.560 3.314 8.219 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.157 3.285 9.758 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.009 4.638 9.891 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.552 3.784 11.355 1.00 0.00 H new ATOM 695 N ILE A 47 -3.067 4.221 13.194 1.00 0.00 N ATOM 696 CA ILE A 47 -4.017 5.186 13.722 1.00 0.00 C ATOM 697 C ILE A 47 -3.581 5.608 15.126 1.00 0.00 C ATOM 698 O ILE A 47 -3.374 6.792 15.386 1.00 0.00 O ATOM 699 CB ILE A 47 -5.439 4.625 13.662 1.00 0.00 C ATOM 700 CG1 ILE A 47 -6.050 4.826 12.274 1.00 0.00 C ATOM 701 CG2 ILE A 47 -6.312 5.226 14.765 1.00 0.00 C ATOM 702 CD1 ILE A 47 -7.379 4.080 12.146 1.00 0.00 C ATOM 0 H ILE A 47 -3.455 3.295 13.015 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.028 6.086 13.107 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.390 3.551 13.839 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.207 5.889 12.093 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.355 4.472 11.512 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.318 4.811 14.700 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.883 4.988 15.739 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.358 6.308 14.644 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.792 4.240 11.150 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.215 3.014 12.304 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.079 4.454 12.893 1.00 0.00 H new ATOM 714 N ASP A 48 -3.454 4.616 15.995 1.00 0.00 N ATOM 715 CA ASP A 48 -3.046 4.870 17.367 1.00 0.00 C ATOM 716 C ASP A 48 -1.746 5.676 17.367 1.00 0.00 C ATOM 717 O ASP A 48 -1.582 6.596 18.166 1.00 0.00 O ATOM 718 CB ASP A 48 -2.791 3.561 18.117 1.00 0.00 C ATOM 719 CG ASP A 48 -3.842 3.204 19.170 1.00 0.00 C ATOM 720 OD1 ASP A 48 -4.820 3.974 19.280 1.00 0.00 O ATOM 721 OD2 ASP A 48 -3.643 2.168 19.841 1.00 0.00 O ATOM 0 H ASP A 48 -3.626 3.635 15.776 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.848 5.418 17.861 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.735 2.749 17.392 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.817 3.622 18.603 1.00 0.00 H new ATOM 726 N ILE A 49 -0.855 5.300 16.461 1.00 0.00 N ATOM 727 CA ILE A 49 0.426 5.977 16.347 1.00 0.00 C ATOM 728 C ILE A 49 0.204 7.393 15.812 1.00 0.00 C ATOM 729 O ILE A 49 0.380 8.370 16.539 1.00 0.00 O ATOM 730 CB ILE A 49 1.397 5.147 15.505 1.00 0.00 C ATOM 731 CG1 ILE A 49 1.817 3.876 16.246 1.00 0.00 C ATOM 732 CG2 ILE A 49 2.603 5.984 15.074 1.00 0.00 C ATOM 733 CD1 ILE A 49 2.265 2.792 15.264 1.00 0.00 C ATOM 0 H ILE A 49 -0.995 4.536 15.800 1.00 0.00 H new ATOM 0 HA ILE A 49 0.893 6.076 17.327 1.00 0.00 H new ATOM 0 HB ILE A 49 0.881 4.835 14.597 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.629 4.105 16.936 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.984 3.508 16.845 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.277 5.370 14.477 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.263 6.833 14.480 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.129 6.346 15.957 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.558 1.899 15.816 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.443 2.549 14.591 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.114 3.155 14.684 1.00 0.00 H new ATOM 745 N THR A 50 -0.180 7.460 14.546 1.00 0.00 N ATOM 746 CA THR A 50 -0.428 8.740 13.905 1.00 0.00 C ATOM 747 C THR A 50 -1.830 9.247 14.251 1.00 0.00 C ATOM 748 O THR A 50 -1.977 10.224 14.983 1.00 0.00 O ATOM 749 CB THR A 50 -0.197 8.570 12.402 1.00 0.00 C ATOM 750 OG1 THR A 50 -1.279 7.745 11.976 1.00 0.00 O ATOM 751 CG2 THR A 50 1.049 7.739 12.092 1.00 0.00 C ATOM 0 H THR A 50 -0.326 6.648 13.946 1.00 0.00 H new ATOM 0 HA THR A 50 0.259 9.504 14.269 1.00 0.00 H new ATOM 0 HB THR A 50 -0.105 9.551 11.936 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.081 6.809 12.190 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.167 7.649 11.012 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.927 8.229 12.513 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.942 6.746 12.529 1.00 0.00 H new ATOM 759 N GLY A 51 -2.823 8.559 13.708 1.00 0.00 N ATOM 760 CA GLY A 51 -4.208 8.927 13.950 1.00 0.00 C ATOM 761 C GLY A 51 -4.837 9.545 12.700 1.00 0.00 C ATOM 762 O GLY A 51 -5.820 10.280 12.794 1.00 0.00 O ATOM 0 H GLY A 51 -2.697 7.749 13.101 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.775 8.046 14.249 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.261 9.636 14.776 1.00 0.00 H new ATOM 766 N LYS A 52 -4.246 9.226 11.559 1.00 0.00 N ATOM 767 CA LYS A 52 -4.736 9.741 10.292 1.00 0.00 C ATOM 768 C LYS A 52 -5.982 8.958 9.875 1.00 0.00 C ATOM 769 O LYS A 52 -6.439 8.078 10.604 1.00 0.00 O ATOM 770 CB LYS A 52 -3.623 9.730 9.242 1.00 0.00 C ATOM 771 CG LYS A 52 -2.345 10.368 9.790 1.00 0.00 C ATOM 772 CD LYS A 52 -2.375 11.888 9.619 1.00 0.00 C ATOM 773 CE LYS A 52 -1.123 12.382 8.890 1.00 0.00 C ATOM 774 NZ LYS A 52 -1.154 13.855 8.748 1.00 0.00 N ATOM 0 H LYS A 52 -3.431 8.617 11.485 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.035 10.784 10.396 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.419 8.704 8.934 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.951 10.270 8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.234 10.119 10.845 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.478 9.957 9.272 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.264 12.177 9.059 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.444 12.366 10.596 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.232 12.082 9.441 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.060 11.917 7.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.298 14.174 8.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.995 14.134 8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.192 14.294 9.690 1.00 0.00 H new ATOM 788 N ASN A 53 -6.498 9.306 8.706 1.00 0.00 N ATOM 789 CA ASN A 53 -7.683 8.646 8.184 1.00 0.00 C ATOM 790 C ASN A 53 -7.388 7.158 7.988 1.00 0.00 C ATOM 791 O ASN A 53 -6.505 6.793 7.213 1.00 0.00 O ATOM 792 CB ASN A 53 -8.087 9.230 6.829 1.00 0.00 C ATOM 793 CG ASN A 53 -8.446 10.712 6.956 1.00 0.00 C ATOM 794 OD1 ASN A 53 -7.595 11.586 6.965 1.00 0.00 O ATOM 795 ND2 ASN A 53 -9.752 10.946 7.053 1.00 0.00 N ATOM 0 H ASN A 53 -6.117 10.037 8.105 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.494 8.795 8.897 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.269 9.110 6.119 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.939 8.679 6.431 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.093 11.903 7.141 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.412 10.168 7.039 1.00 0.00 H new ATOM 802 N GLN A 54 -8.144 6.338 8.703 1.00 0.00 N ATOM 803 CA GLN A 54 -7.975 4.898 8.618 1.00 0.00 C ATOM 804 C GLN A 54 -7.695 4.481 7.172 1.00 0.00 C ATOM 805 O GLN A 54 -6.651 3.900 6.881 1.00 0.00 O ATOM 806 CB GLN A 54 -9.200 4.168 9.172 1.00 0.00 C ATOM 807 CG GLN A 54 -8.924 2.670 9.322 1.00 0.00 C ATOM 808 CD GLN A 54 -10.227 1.889 9.511 1.00 0.00 C ATOM 809 OE1 GLN A 54 -10.925 2.027 10.501 1.00 0.00 O ATOM 810 NE2 GLN A 54 -10.513 1.064 8.508 1.00 0.00 N ATOM 0 H GLN A 54 -8.876 6.644 9.344 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.118 4.616 9.230 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.473 4.590 10.139 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.050 4.320 8.507 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.400 2.303 8.439 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.267 2.501 10.175 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.884 0.997 7.708 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.361 0.498 8.539 1.00 0.00 H new ATOM 819 N ASP A 55 -8.647 4.793 6.306 1.00 0.00 N ATOM 820 CA ASP A 55 -8.517 4.458 4.898 1.00 0.00 C ATOM 821 C ASP A 55 -7.090 4.759 4.437 1.00 0.00 C ATOM 822 O ASP A 55 -6.454 3.927 3.791 1.00 0.00 O ATOM 823 CB ASP A 55 -9.475 5.290 4.043 1.00 0.00 C ATOM 824 CG ASP A 55 -10.941 4.858 4.108 1.00 0.00 C ATOM 825 OD1 ASP A 55 -11.265 3.846 3.449 1.00 0.00 O ATOM 826 OD2 ASP A 55 -11.706 5.550 4.816 1.00 0.00 O ATOM 0 H ASP A 55 -9.512 5.274 6.552 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.754 3.401 4.780 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.405 6.332 4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.144 5.245 3.005 1.00 0.00 H new ATOM 831 N GLU A 56 -6.627 5.950 4.787 1.00 0.00 N ATOM 832 CA GLU A 56 -5.286 6.371 4.417 1.00 0.00 C ATOM 833 C GLU A 56 -4.245 5.467 5.079 1.00 0.00 C ATOM 834 O GLU A 56 -3.380 4.912 4.404 1.00 0.00 O ATOM 835 CB GLU A 56 -5.051 7.837 4.783 1.00 0.00 C ATOM 836 CG GLU A 56 -5.930 8.761 3.936 1.00 0.00 C ATOM 837 CD GLU A 56 -5.224 9.148 2.635 1.00 0.00 C ATOM 838 OE1 GLU A 56 -4.290 9.975 2.720 1.00 0.00 O ATOM 839 OE2 GLU A 56 -5.634 8.609 1.585 1.00 0.00 O ATOM 0 H GLU A 56 -7.157 6.637 5.323 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.183 6.280 3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.268 7.991 5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.001 8.089 4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.873 8.264 3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.172 9.659 4.504 1.00 0.00 H new ATOM 846 N CYS A 57 -4.362 5.347 6.394 1.00 0.00 N ATOM 847 CA CYS A 57 -3.441 4.520 7.155 1.00 0.00 C ATOM 848 C CYS A 57 -3.324 3.163 6.457 1.00 0.00 C ATOM 849 O CYS A 57 -2.222 2.650 6.271 1.00 0.00 O ATOM 850 CB CYS A 57 -3.884 4.375 8.613 1.00 0.00 C ATOM 851 SG CYS A 57 -3.806 5.998 9.454 1.00 0.00 S ATOM 0 H CYS A 57 -5.081 5.809 6.951 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.461 4.997 7.187 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.900 3.982 8.656 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.243 3.658 9.127 1.00 0.00 H new ATOM 0 HG CYS A 57 -5.008 6.388 9.758 1.00 0.00 H new ATOM 857 N VAL A 58 -4.476 2.621 6.090 1.00 0.00 N ATOM 858 CA VAL A 58 -4.517 1.335 5.416 1.00 0.00 C ATOM 859 C VAL A 58 -3.786 1.442 4.076 1.00 0.00 C ATOM 860 O VAL A 58 -3.111 0.504 3.657 1.00 0.00 O ATOM 861 CB VAL A 58 -5.966 0.865 5.271 1.00 0.00 C ATOM 862 CG1 VAL A 58 -6.048 -0.409 4.429 1.00 0.00 C ATOM 863 CG2 VAL A 58 -6.615 0.659 6.641 1.00 0.00 C ATOM 0 H VAL A 58 -5.388 3.049 6.247 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.002 0.578 6.007 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.521 1.646 4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.089 -0.721 4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.643 -0.215 3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.471 -1.200 4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.644 0.325 6.510 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.058 -0.094 7.198 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.606 1.599 7.193 1.00 0.00 H new ATOM 873 N ILE A 59 -3.947 2.594 3.442 1.00 0.00 N ATOM 874 CA ILE A 59 -3.311 2.836 2.158 1.00 0.00 C ATOM 875 C ILE A 59 -1.795 2.901 2.349 1.00 0.00 C ATOM 876 O ILE A 59 -1.062 2.068 1.816 1.00 0.00 O ATOM 877 CB ILE A 59 -3.902 4.081 1.494 1.00 0.00 C ATOM 878 CG1 ILE A 59 -5.357 3.847 1.084 1.00 0.00 C ATOM 879 CG2 ILE A 59 -3.039 4.535 0.314 1.00 0.00 C ATOM 880 CD1 ILE A 59 -6.146 5.158 1.090 1.00 0.00 C ATOM 0 H ILE A 59 -4.508 3.370 3.793 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.511 2.013 1.472 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.901 4.890 2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.391 3.402 0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.821 3.136 1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.481 5.422 -0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.035 4.771 0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.985 3.737 -0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.177 4.963 0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.130 5.588 2.092 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.694 5.858 0.388 1.00 0.00 H new ATOM 892 N ALA A 60 -1.369 3.897 3.110 1.00 0.00 N ATOM 893 CA ALA A 60 0.048 4.082 3.378 1.00 0.00 C ATOM 894 C ALA A 60 0.673 2.734 3.743 1.00 0.00 C ATOM 895 O ALA A 60 1.702 2.352 3.187 1.00 0.00 O ATOM 896 CB ALA A 60 0.227 5.126 4.483 1.00 0.00 C ATOM 0 H ALA A 60 -1.980 4.585 3.550 1.00 0.00 H new ATOM 0 HA ALA A 60 0.561 4.455 2.491 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.289 5.265 4.684 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.208 6.073 4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.272 4.785 5.390 1.00 0.00 H new ATOM 902 N LEU A 61 0.025 2.050 4.675 1.00 0.00 N ATOM 903 CA LEU A 61 0.505 0.753 5.121 1.00 0.00 C ATOM 904 C LEU A 61 0.790 -0.127 3.902 1.00 0.00 C ATOM 905 O LEU A 61 1.929 -0.538 3.681 1.00 0.00 O ATOM 906 CB LEU A 61 -0.479 0.129 6.112 1.00 0.00 C ATOM 907 CG LEU A 61 0.036 -1.078 6.899 1.00 0.00 C ATOM 908 CD1 LEU A 61 1.510 -0.903 7.268 1.00 0.00 C ATOM 909 CD2 LEU A 61 -0.836 -1.344 8.128 1.00 0.00 C ATOM 0 H LEU A 61 -0.828 2.370 5.133 1.00 0.00 H new ATOM 0 HA LEU A 61 1.444 0.861 5.664 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.785 0.897 6.822 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.372 -0.173 5.565 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.033 -1.958 6.259 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.851 -1.775 7.827 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.103 -0.800 6.359 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.628 -0.010 7.882 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.448 -2.207 8.669 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.822 -0.470 8.780 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.860 -1.544 7.811 1.00 0.00 H new ATOM 921 N HIS A 62 -0.263 -0.389 3.142 1.00 0.00 N ATOM 922 CA HIS A 62 -0.140 -1.212 1.951 1.00 0.00 C ATOM 923 C HIS A 62 0.879 -0.585 0.997 1.00 0.00 C ATOM 924 O HIS A 62 1.882 -1.211 0.656 1.00 0.00 O ATOM 925 CB HIS A 62 -1.506 -1.431 1.298 1.00 0.00 C ATOM 926 CG HIS A 62 -1.434 -1.913 -0.131 1.00 0.00 C ATOM 927 ND1 HIS A 62 -1.855 -3.172 -0.521 1.00 0.00 N ATOM 928 CD2 HIS A 62 -0.986 -1.291 -1.260 1.00 0.00 C ATOM 929 CE1 HIS A 62 -1.665 -3.292 -1.826 1.00 0.00 C ATOM 930 NE2 HIS A 62 -1.125 -2.125 -2.282 1.00 0.00 N ATOM 0 H HIS A 62 -1.205 -0.046 3.328 1.00 0.00 H new ATOM 0 HA HIS A 62 0.230 -2.200 2.224 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.067 -2.156 1.887 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.065 -0.496 1.327 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.586 -0.289 -1.312 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.897 -4.161 -2.424 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.870 -1.927 -3.250 1.00 0.00 H new ATOM 938 N ASP A 63 0.586 0.642 0.592 1.00 0.00 N ATOM 939 CA ASP A 63 1.465 1.360 -0.316 1.00 0.00 C ATOM 940 C ASP A 63 2.920 1.101 0.078 1.00 0.00 C ATOM 941 O ASP A 63 3.752 0.791 -0.774 1.00 0.00 O ATOM 942 CB ASP A 63 1.216 2.868 -0.245 1.00 0.00 C ATOM 943 CG ASP A 63 1.235 3.591 -1.593 1.00 0.00 C ATOM 944 OD1 ASP A 63 2.179 3.322 -2.368 1.00 0.00 O ATOM 945 OD2 ASP A 63 0.306 4.395 -1.818 1.00 0.00 O ATOM 0 H ASP A 63 -0.247 1.157 0.876 1.00 0.00 H new ATOM 0 HA ASP A 63 1.265 1.009 -1.328 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.249 3.039 0.229 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.971 3.316 0.401 1.00 0.00 H new ATOM 950 N CYS A 64 3.184 1.239 1.369 1.00 0.00 N ATOM 951 CA CYS A 64 4.525 1.024 1.886 1.00 0.00 C ATOM 952 C CYS A 64 4.895 -0.444 1.664 1.00 0.00 C ATOM 953 O CYS A 64 5.762 -0.752 0.848 1.00 0.00 O ATOM 954 CB CYS A 64 4.634 1.424 3.359 1.00 0.00 C ATOM 955 SG CYS A 64 5.190 3.162 3.496 1.00 0.00 S ATOM 0 H CYS A 64 2.492 1.497 2.073 1.00 0.00 H new ATOM 0 HA CYS A 64 5.230 1.660 1.352 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.668 1.303 3.850 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.337 0.767 3.872 1.00 0.00 H new ATOM 0 HG CYS A 64 4.158 3.952 3.459 1.00 0.00 H new ATOM 961 N ASN A 65 4.221 -1.310 2.406 1.00 0.00 N ATOM 962 CA ASN A 65 4.469 -2.738 2.301 1.00 0.00 C ATOM 963 C ASN A 65 4.011 -3.427 3.588 1.00 0.00 C ATOM 964 O ASN A 65 4.724 -4.267 4.134 1.00 0.00 O ATOM 965 CB ASN A 65 5.960 -3.026 2.116 1.00 0.00 C ATOM 966 CG ASN A 65 6.292 -3.271 0.642 1.00 0.00 C ATOM 967 OD1 ASN A 65 5.482 -3.757 -0.131 1.00 0.00 O ATOM 968 ND2 ASN A 65 7.524 -2.910 0.298 1.00 0.00 N ATOM 0 H ASN A 65 3.503 -1.050 3.083 1.00 0.00 H new ATOM 0 HA ASN A 65 3.919 -3.113 1.438 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.545 -2.186 2.490 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.242 -3.898 2.706 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.842 -3.034 -0.663 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.151 -2.509 0.995 1.00 0.00 H new ATOM 975 N GLY A 66 2.823 -3.045 4.035 1.00 0.00 N ATOM 976 CA GLY A 66 2.262 -3.616 5.248 1.00 0.00 C ATOM 977 C GLY A 66 3.120 -3.269 6.466 1.00 0.00 C ATOM 978 O GLY A 66 2.962 -3.864 7.531 1.00 0.00 O ATOM 0 H GLY A 66 2.234 -2.348 3.579 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.248 -3.243 5.395 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.191 -4.699 5.145 1.00 0.00 H new ATOM 982 N ASP A 67 4.010 -2.307 6.268 1.00 0.00 N ATOM 983 CA ASP A 67 4.894 -1.874 7.337 1.00 0.00 C ATOM 984 C ASP A 67 4.292 -0.646 8.024 1.00 0.00 C ATOM 985 O ASP A 67 3.841 0.283 7.357 1.00 0.00 O ATOM 986 CB ASP A 67 6.269 -1.484 6.791 1.00 0.00 C ATOM 987 CG ASP A 67 7.411 -2.421 7.187 1.00 0.00 C ATOM 988 OD1 ASP A 67 7.605 -2.594 8.410 1.00 0.00 O ATOM 989 OD2 ASP A 67 8.066 -2.942 6.259 1.00 0.00 O ATOM 0 H ASP A 67 4.138 -1.816 5.383 1.00 0.00 H new ATOM 0 HA ASP A 67 5.006 -2.701 8.038 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.213 -1.443 5.703 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.508 -0.478 7.136 1.00 0.00 H new ATOM 994 N VAL A 68 4.306 -0.683 9.348 1.00 0.00 N ATOM 995 CA VAL A 68 3.767 0.415 10.133 1.00 0.00 C ATOM 996 C VAL A 68 4.783 1.558 10.167 1.00 0.00 C ATOM 997 O VAL A 68 4.409 2.728 10.109 1.00 0.00 O ATOM 998 CB VAL A 68 3.377 -0.080 11.527 1.00 0.00 C ATOM 999 CG1 VAL A 68 3.418 1.061 12.546 1.00 0.00 C ATOM 1000 CG2 VAL A 68 2.001 -0.748 11.507 1.00 0.00 C ATOM 0 H VAL A 68 4.682 -1.456 9.897 1.00 0.00 H new ATOM 0 HA VAL A 68 2.857 0.802 9.674 1.00 0.00 H new ATOM 0 HB VAL A 68 4.108 -0.828 11.833 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.137 0.682 13.528 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.426 1.472 12.591 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.720 1.843 12.245 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.748 -1.091 12.510 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.253 -0.031 11.169 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.020 -1.600 10.827 1.00 0.00 H new ATOM 1010 N ASN A 69 6.050 1.179 10.261 1.00 0.00 N ATOM 1011 CA ASN A 69 7.122 2.158 10.304 1.00 0.00 C ATOM 1012 C ASN A 69 7.169 2.916 8.975 1.00 0.00 C ATOM 1013 O ASN A 69 6.931 4.122 8.936 1.00 0.00 O ATOM 1014 CB ASN A 69 8.479 1.480 10.509 1.00 0.00 C ATOM 1015 CG ASN A 69 8.365 0.313 11.492 1.00 0.00 C ATOM 1016 OD1 ASN A 69 7.765 0.415 12.549 1.00 0.00 O ATOM 1017 ND2 ASN A 69 8.974 -0.797 11.085 1.00 0.00 N ATOM 0 H ASN A 69 6.357 0.208 10.309 1.00 0.00 H new ATOM 0 HA ASN A 69 6.927 2.835 11.136 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.858 1.119 9.553 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.200 2.207 10.883 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.957 -1.632 11.670 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.459 -0.813 10.188 1.00 0.00 H new ATOM 1024 N ARG A 70 7.477 2.177 7.919 1.00 0.00 N ATOM 1025 CA ARG A 70 7.557 2.764 6.593 1.00 0.00 C ATOM 1026 C ARG A 70 6.356 3.678 6.343 1.00 0.00 C ATOM 1027 O ARG A 70 6.508 4.778 5.814 1.00 0.00 O ATOM 1028 CB ARG A 70 7.598 1.681 5.513 1.00 0.00 C ATOM 1029 CG ARG A 70 8.991 1.057 5.414 1.00 0.00 C ATOM 1030 CD ARG A 70 9.237 0.483 4.017 1.00 0.00 C ATOM 1031 NE ARG A 70 9.985 -0.791 4.118 1.00 0.00 N ATOM 1032 CZ ARG A 70 11.291 -0.874 4.406 1.00 0.00 C ATOM 1033 NH1 ARG A 70 12.002 0.240 4.624 1.00 0.00 N ATOM 1034 NH2 ARG A 70 11.886 -2.073 4.476 1.00 0.00 N ATOM 0 H ARG A 70 7.674 1.177 7.955 1.00 0.00 H new ATOM 0 HA ARG A 70 8.477 3.346 6.544 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.865 0.907 5.741 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.319 2.111 4.551 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.747 1.809 5.640 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.093 0.268 6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.286 0.317 3.510 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.799 1.197 3.415 1.00 0.00 H new ATOM 0 HE ARG A 70 9.474 -1.659 3.958 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.549 1.153 4.571 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.996 0.176 4.843 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.345 -2.921 4.310 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.880 -2.137 4.695 1.00 0.00 H new ATOM 1048 N ALA A 71 5.189 3.190 6.736 1.00 0.00 N ATOM 1049 CA ALA A 71 3.963 3.949 6.562 1.00 0.00 C ATOM 1050 C ALA A 71 4.088 5.287 7.294 1.00 0.00 C ATOM 1051 O ALA A 71 3.906 6.346 6.695 1.00 0.00 O ATOM 1052 CB ALA A 71 2.775 3.123 7.058 1.00 0.00 C ATOM 0 H ALA A 71 5.067 2.277 7.175 1.00 0.00 H new ATOM 0 HA ALA A 71 3.792 4.164 5.507 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.855 3.693 6.927 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.712 2.197 6.487 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.910 2.889 8.114 1.00 0.00 H new ATOM 1058 N ILE A 72 4.399 5.196 8.578 1.00 0.00 N ATOM 1059 CA ILE A 72 4.551 6.385 9.398 1.00 0.00 C ATOM 1060 C ILE A 72 5.426 7.400 8.660 1.00 0.00 C ATOM 1061 O ILE A 72 5.121 8.592 8.643 1.00 0.00 O ATOM 1062 CB ILE A 72 5.076 6.016 10.787 1.00 0.00 C ATOM 1063 CG1 ILE A 72 3.981 5.361 11.631 1.00 0.00 C ATOM 1064 CG2 ILE A 72 5.687 7.233 11.484 1.00 0.00 C ATOM 1065 CD1 ILE A 72 4.562 4.269 12.531 1.00 0.00 C ATOM 0 H ILE A 72 4.550 4.316 9.071 1.00 0.00 H new ATOM 0 HA ILE A 72 3.583 6.858 9.564 1.00 0.00 H new ATOM 0 HB ILE A 72 5.872 5.281 10.667 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.487 6.116 12.242 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.221 4.933 10.978 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.052 6.943 12.469 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.516 7.616 10.888 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.929 8.009 11.592 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.763 3.820 13.120 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.034 3.503 11.915 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.304 4.705 13.200 1.00 0.00 H new ATOM 1077 N ASN A 73 6.495 6.890 8.067 1.00 0.00 N ATOM 1078 CA ASN A 73 7.417 7.737 7.328 1.00 0.00 C ATOM 1079 C ASN A 73 6.641 8.527 6.272 1.00 0.00 C ATOM 1080 O ASN A 73 6.916 9.705 6.047 1.00 0.00 O ATOM 1081 CB ASN A 73 8.477 6.902 6.609 1.00 0.00 C ATOM 1082 CG ASN A 73 9.866 7.148 7.203 1.00 0.00 C ATOM 1083 OD1 ASN A 73 10.573 8.071 6.833 1.00 0.00 O ATOM 1084 ND2 ASN A 73 10.215 6.275 8.144 1.00 0.00 N ATOM 0 H ASN A 73 6.744 5.901 8.083 1.00 0.00 H new ATOM 0 HA ASN A 73 7.905 8.404 8.038 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.226 5.844 6.687 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.482 7.150 5.548 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.122 6.355 8.603 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.575 5.525 8.407 1.00 0.00 H new ATOM 1091 N VAL A 74 5.688 7.848 5.653 1.00 0.00 N ATOM 1092 CA VAL A 74 4.871 8.471 4.626 1.00 0.00 C ATOM 1093 C VAL A 74 3.761 9.290 5.290 1.00 0.00 C ATOM 1094 O VAL A 74 3.595 10.472 4.993 1.00 0.00 O ATOM 1095 CB VAL A 74 4.335 7.408 3.665 1.00 0.00 C ATOM 1096 CG1 VAL A 74 3.529 8.047 2.533 1.00 0.00 C ATOM 1097 CG2 VAL A 74 5.473 6.548 3.110 1.00 0.00 C ATOM 0 H VAL A 74 5.463 6.871 5.843 1.00 0.00 H new ATOM 0 HA VAL A 74 5.470 9.158 4.028 1.00 0.00 H new ATOM 0 HB VAL A 74 3.665 6.757 4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.160 7.269 1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.685 8.596 2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.166 8.732 1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.065 5.800 2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.179 7.181 2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.986 6.049 3.932 1.00 0.00 H new ATOM 1107 N LEU A 75 3.032 8.628 6.176 1.00 0.00 N ATOM 1108 CA LEU A 75 1.943 9.280 6.885 1.00 0.00 C ATOM 1109 C LEU A 75 2.412 10.648 7.384 1.00 0.00 C ATOM 1110 O LEU A 75 1.774 11.664 7.112 1.00 0.00 O ATOM 1111 CB LEU A 75 1.406 8.372 7.992 1.00 0.00 C ATOM 1112 CG LEU A 75 0.310 7.386 7.580 1.00 0.00 C ATOM 1113 CD1 LEU A 75 0.215 6.226 8.572 1.00 0.00 C ATOM 1114 CD2 LEU A 75 -1.031 8.101 7.402 1.00 0.00 C ATOM 0 H LEU A 75 3.173 7.648 6.419 1.00 0.00 H new ATOM 0 HA LEU A 75 1.102 9.457 6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.240 7.805 8.406 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.019 9.000 8.794 1.00 0.00 H new ATOM 0 HG LEU A 75 0.578 6.960 6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.571 5.540 8.256 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.167 5.696 8.605 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.019 6.613 9.564 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.793 7.378 7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.320 8.572 8.342 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.937 8.863 6.628 1.00 0.00 H new ATOM 1126 N LEU A 76 3.523 10.630 8.106 1.00 0.00 N ATOM 1127 CA LEU A 76 4.084 11.857 8.646 1.00 0.00 C ATOM 1128 C LEU A 76 4.343 12.840 7.503 1.00 0.00 C ATOM 1129 O LEU A 76 3.738 13.910 7.451 1.00 0.00 O ATOM 1130 CB LEU A 76 5.325 11.553 9.488 1.00 0.00 C ATOM 1131 CG LEU A 76 5.084 10.763 10.776 1.00 0.00 C ATOM 1132 CD1 LEU A 76 6.407 10.412 11.460 1.00 0.00 C ATOM 1133 CD2 LEU A 76 4.137 11.516 11.712 1.00 0.00 C ATOM 0 H LEU A 76 4.050 9.785 8.330 1.00 0.00 H new ATOM 0 HA LEU A 76 3.376 12.334 9.323 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.031 10.997 8.871 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.803 12.497 9.748 1.00 0.00 H new ATOM 0 HG LEU A 76 4.598 9.823 10.514 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.207 9.851 12.373 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.015 9.807 10.788 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.943 11.328 11.708 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.983 10.933 12.620 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.572 12.481 11.971 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.180 11.671 11.214 1.00 0.00 H new