USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 710 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 82 CYS SG : rot 149:sc= 0.0608 USER MOD Set 1.2: A 102 GLN : amide:sc= -4.74! C(o=-4.7!,f=-7.6!) USER MOD Set 2.1: A 50 GLN : amide:sc= -1.65 K(o=-3,f=-2.1) USER MOD Set 2.2: A 56 THR OG1 : rot 170:sc= -1.32 USER MOD Set 3.1: A 49 GLN : amide:sc= -1.51 K(o=-3.8,f=-5.3!) USER MOD Set 3.2: A 59 THR OG1 : rot -99:sc= 0.695 USER MOD Set 3.3: A 97 GLN : amide:sc= -2.97 K(o=-3.8,f=-6.1!) USER MOD Set 4.1: A 45 HIS : no HE2:sc= -6.44! C(o=-14!,f=-16!) USER MOD Set 4.2: A 124 HIS : no HE2:sc= -7.77! C(o=-14!,f=-19!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.44) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 77:sc= 0.516 USER MOD Single : A 61 GLN : amide:sc= -0.648 X(o=-0.65,f=-0.72) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0277) USER MOD Single : A 71 LYS NZ :NH3+ -156:sc= -0.0137 (180deg=-0.353) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 153:sc= -0.169 (180deg=-0.7) USER MOD Single : A 83 ASN : amide:sc= -0.355 X(o=-0.35,f=-0.082) USER MOD Single : A 85 THR OG1 : rot -38:sc= 0.0487 USER MOD Single : A 89 HIS : no HD1:sc= -3.11! C(o=-3.1!,f=-5!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.218 K(o=-0.22,f=-2.1!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.0399 X(o=-0.04,f=-0.24) USER MOD Single : A 107 CYS SG : rot 100:sc= -2.76 USER MOD Single : A 108 GLN : amide:sc= -0.512 K(o=-0.51,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -3.73 K(o=-3.7,f=-2.8) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 606 N ASP A 42 1.380 -12.536 -12.978 1.00 0.00 N ATOM 607 CA ASP A 42 1.087 -12.180 -11.593 1.00 0.00 C ATOM 608 C ASP A 42 1.401 -10.710 -11.332 1.00 0.00 C ATOM 609 O ASP A 42 2.270 -10.382 -10.526 1.00 0.00 O ATOM 610 CB ASP A 42 1.884 -13.071 -10.636 1.00 0.00 C ATOM 611 CG ASP A 42 1.003 -14.062 -9.901 1.00 0.00 C ATOM 612 OD1 ASP A 42 -0.017 -14.492 -10.480 1.00 0.00 O ATOM 613 OD2 ASP A 42 1.333 -14.409 -8.748 1.00 0.00 O ATOM 0 HA ASP A 42 0.023 -12.338 -11.418 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.646 -13.612 -11.197 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.406 -12.446 -9.912 1.00 0.00 H new ATOM 618 N TYR A 43 0.689 -9.829 -12.022 1.00 0.00 N ATOM 619 CA TYR A 43 0.896 -8.398 -11.864 1.00 0.00 C ATOM 620 C TYR A 43 0.335 -7.908 -10.534 1.00 0.00 C ATOM 621 O TYR A 43 -0.497 -8.572 -9.918 1.00 0.00 O ATOM 622 CB TYR A 43 0.242 -7.634 -13.016 1.00 0.00 C ATOM 623 CG TYR A 43 0.828 -7.942 -14.380 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.084 -8.528 -14.515 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.121 -7.640 -15.537 1.00 0.00 C ATOM 626 CE1 TYR A 43 2.612 -8.803 -15.761 1.00 0.00 C ATOM 627 CE2 TYR A 43 0.644 -7.913 -16.786 1.00 0.00 C ATOM 628 CZ TYR A 43 1.889 -8.494 -16.893 1.00 0.00 C ATOM 629 OH TYR A 43 2.414 -8.766 -18.135 1.00 0.00 O ATOM 0 H TYR A 43 -0.035 -10.081 -12.695 1.00 0.00 H new ATOM 0 HA TYR A 43 1.970 -8.212 -11.876 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.823 -7.864 -13.031 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.335 -6.565 -12.827 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.654 -8.771 -13.631 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.855 -7.184 -15.459 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.587 -9.258 -15.848 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.080 -7.672 -17.675 1.00 0.00 H new ATOM 0 HH TYR A 43 1.778 -8.488 -18.827 1.00 0.00 H new ATOM 639 N ILE A 44 0.790 -6.736 -10.102 1.00 0.00 N ATOM 640 CA ILE A 44 0.326 -6.153 -8.849 1.00 0.00 C ATOM 641 C ILE A 44 -0.472 -4.882 -9.121 1.00 0.00 C ATOM 642 O ILE A 44 0.088 -3.793 -9.250 1.00 0.00 O ATOM 643 CB ILE A 44 1.500 -5.848 -7.896 1.00 0.00 C ATOM 644 CG1 ILE A 44 2.313 -7.118 -7.627 1.00 0.00 C ATOM 645 CG2 ILE A 44 0.986 -5.261 -6.589 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.470 -8.306 -7.214 1.00 0.00 C ATOM 0 H ILE A 44 1.479 -6.172 -10.601 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.319 -6.885 -8.362 1.00 0.00 H new ATOM 0 HB ILE A 44 2.150 -5.114 -8.373 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.874 -7.377 -8.525 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.043 -6.912 -6.844 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.827 -5.052 -5.928 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.446 -4.336 -6.793 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.316 -5.974 -6.109 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.115 -9.167 -7.041 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.929 -8.068 -6.298 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.758 -8.539 -8.005 1.00 0.00 H new ATOM 658 N HIS A 45 -1.785 -5.046 -9.230 1.00 0.00 N ATOM 659 CA HIS A 45 -2.692 -3.938 -9.514 1.00 0.00 C ATOM 660 C HIS A 45 -2.746 -2.923 -8.375 1.00 0.00 C ATOM 661 O HIS A 45 -3.199 -3.231 -7.274 1.00 0.00 O ATOM 662 CB HIS A 45 -4.096 -4.484 -9.780 1.00 0.00 C ATOM 663 CG HIS A 45 -4.639 -4.134 -11.129 1.00 0.00 C ATOM 664 ND1 HIS A 45 -4.455 -4.925 -12.243 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.380 -3.078 -11.537 1.00 0.00 C ATOM 666 CE1 HIS A 45 -5.060 -4.371 -13.279 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.630 -3.249 -12.877 1.00 0.00 N ATOM 0 H HIS A 45 -2.251 -5.947 -9.125 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.311 -3.420 -10.394 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.078 -5.569 -9.677 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.774 -4.102 -9.017 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.933 -5.801 -12.264 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.713 -2.254 -10.923 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.084 -4.768 -14.283 1.00 0.00 H new ATOM 676 N ILE A 46 -2.308 -1.703 -8.665 1.00 0.00 N ATOM 677 CA ILE A 46 -2.332 -0.624 -7.678 1.00 0.00 C ATOM 678 C ILE A 46 -3.750 -0.037 -7.580 1.00 0.00 C ATOM 679 O ILE A 46 -4.600 -0.598 -6.889 1.00 0.00 O ATOM 680 CB ILE A 46 -1.313 0.485 -8.028 1.00 0.00 C ATOM 681 CG1 ILE A 46 0.107 -0.090 -8.052 1.00 0.00 C ATOM 682 CG2 ILE A 46 -1.409 1.640 -7.040 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.640 -0.469 -6.685 1.00 0.00 C ATOM 0 H ILE A 46 -1.932 -1.434 -9.574 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.047 -1.041 -6.712 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.549 0.871 -9.020 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.121 -0.971 -8.693 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.777 0.642 -8.502 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.683 2.408 -7.306 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.413 2.063 -7.072 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.200 1.276 -6.034 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.649 -0.868 -6.786 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.661 0.413 -6.045 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.006 -1.225 -6.239 1.00 0.00 H new ATOM 695 N ARG A 47 -4.009 1.075 -8.289 1.00 0.00 N ATOM 696 CA ARG A 47 -5.331 1.709 -8.300 1.00 0.00 C ATOM 697 C ARG A 47 -5.491 2.737 -7.185 1.00 0.00 C ATOM 698 O ARG A 47 -5.144 2.490 -6.030 1.00 0.00 O ATOM 699 CB ARG A 47 -6.447 0.663 -8.204 1.00 0.00 C ATOM 700 CG ARG A 47 -7.725 1.070 -8.919 1.00 0.00 C ATOM 701 CD ARG A 47 -8.494 2.122 -8.135 1.00 0.00 C ATOM 702 NE ARG A 47 -9.910 1.783 -8.008 1.00 0.00 N ATOM 703 CZ ARG A 47 -10.782 1.853 -9.011 1.00 0.00 C ATOM 704 NH1 ARG A 47 -10.389 2.247 -10.216 1.00 0.00 N ATOM 705 NH2 ARG A 47 -12.051 1.525 -8.809 1.00 0.00 N ATOM 0 H ARG A 47 -3.314 1.552 -8.863 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.412 2.233 -9.252 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.089 -0.277 -8.624 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.671 0.478 -7.153 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.482 1.458 -9.908 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.355 0.193 -9.067 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.056 2.227 -7.142 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.395 3.088 -8.631 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.250 1.475 -7.097 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.414 2.498 -10.378 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.062 2.298 -10.980 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.358 1.219 -7.886 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.720 1.578 -9.577 1.00 0.00 H new ATOM 719 N ILE A 48 -6.046 3.887 -7.556 1.00 0.00 N ATOM 720 CA ILE A 48 -6.298 4.978 -6.618 1.00 0.00 C ATOM 721 C ILE A 48 -7.801 5.240 -6.517 1.00 0.00 C ATOM 722 O ILE A 48 -8.551 4.956 -7.450 1.00 0.00 O ATOM 723 CB ILE A 48 -5.578 6.281 -7.054 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.149 6.316 -6.504 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.352 7.516 -6.600 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.435 7.626 -6.764 1.00 0.00 C ATOM 0 H ILE A 48 -6.334 4.089 -8.513 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.905 4.678 -5.646 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.534 6.290 -8.143 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.177 6.133 -5.430 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.576 5.504 -6.951 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.824 8.414 -6.920 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.348 7.504 -7.042 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.438 7.513 -5.513 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.429 7.581 -6.348 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.376 7.801 -7.838 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.986 8.440 -6.293 1.00 0.00 H new ATOM 738 N GLN A 49 -8.234 5.789 -5.387 1.00 0.00 N ATOM 739 CA GLN A 49 -9.648 6.092 -5.186 1.00 0.00 C ATOM 740 C GLN A 49 -9.827 7.385 -4.398 1.00 0.00 C ATOM 741 O GLN A 49 -9.724 7.398 -3.172 1.00 0.00 O ATOM 742 CB GLN A 49 -10.348 4.938 -4.469 1.00 0.00 C ATOM 743 CG GLN A 49 -9.795 4.655 -3.082 1.00 0.00 C ATOM 744 CD GLN A 49 -9.632 3.171 -2.812 1.00 0.00 C ATOM 745 OE1 GLN A 49 -8.795 2.505 -3.421 1.00 0.00 O ATOM 746 NE2 GLN A 49 -10.435 2.645 -1.895 1.00 0.00 N ATOM 0 H GLN A 49 -7.632 6.032 -4.601 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.103 6.225 -6.168 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.411 5.164 -4.387 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.259 4.037 -5.077 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.830 5.149 -2.972 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.461 5.086 -2.334 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.115 3.234 -1.414 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.372 1.652 -1.671 1.00 0.00 H new ATOM 755 N GLN A 50 -10.099 8.473 -5.115 1.00 0.00 N ATOM 756 CA GLN A 50 -10.298 9.774 -4.486 1.00 0.00 C ATOM 757 C GLN A 50 -11.785 10.093 -4.363 1.00 0.00 C ATOM 758 O GLN A 50 -12.417 10.535 -5.324 1.00 0.00 O ATOM 759 CB GLN A 50 -9.589 10.870 -5.290 1.00 0.00 C ATOM 760 CG GLN A 50 -8.720 11.784 -4.438 1.00 0.00 C ATOM 761 CD GLN A 50 -7.761 12.617 -5.263 1.00 0.00 C ATOM 762 OE1 GLN A 50 -7.908 12.734 -6.478 1.00 0.00 O ATOM 763 NE2 GLN A 50 -6.773 13.204 -4.601 1.00 0.00 N ATOM 0 H GLN A 50 -10.186 8.478 -6.131 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.868 9.737 -3.485 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.970 10.404 -6.056 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.337 11.471 -5.807 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.360 12.446 -3.854 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.153 11.181 -3.728 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.690 13.079 -3.592 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.096 13.781 -5.101 1.00 0.00 H new ATOM 772 N ARG A 51 -12.338 9.866 -3.175 1.00 0.00 N ATOM 773 CA ARG A 51 -13.752 10.133 -2.928 1.00 0.00 C ATOM 774 C ARG A 51 -14.077 11.592 -3.220 1.00 0.00 C ATOM 775 O ARG A 51 -14.970 11.897 -4.013 1.00 0.00 O ATOM 776 CB ARG A 51 -14.113 9.791 -1.481 1.00 0.00 C ATOM 777 CG ARG A 51 -15.323 8.878 -1.356 1.00 0.00 C ATOM 778 CD ARG A 51 -14.923 7.411 -1.381 1.00 0.00 C ATOM 779 NE ARG A 51 -15.384 6.697 -0.193 1.00 0.00 N ATOM 780 CZ ARG A 51 -14.982 5.472 0.138 1.00 0.00 C ATOM 781 NH1 ARG A 51 -14.112 4.822 -0.627 1.00 0.00 N ATOM 782 NH2 ARG A 51 -15.449 4.896 1.236 1.00 0.00 N ATOM 0 H ARG A 51 -11.830 9.499 -2.370 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.343 9.505 -3.594 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.257 9.313 -1.005 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.307 10.715 -0.935 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.850 9.096 -0.427 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -16.018 9.080 -2.171 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -15.337 6.938 -2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.838 7.332 -1.453 1.00 0.00 H new ATOM 0 HE ARG A 51 -16.053 7.164 0.419 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.749 5.261 -1.473 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.807 3.883 -0.369 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -16.116 5.391 1.827 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -15.141 3.957 1.490 1.00 0.00 H new ATOM 796 N ASN A 52 -13.336 12.488 -2.582 1.00 0.00 N ATOM 797 CA ASN A 52 -13.525 13.919 -2.774 1.00 0.00 C ATOM 798 C ASN A 52 -12.397 14.477 -3.640 1.00 0.00 C ATOM 799 O ASN A 52 -11.827 13.757 -4.461 1.00 0.00 O ATOM 800 CB ASN A 52 -13.568 14.639 -1.419 1.00 0.00 C ATOM 801 CG ASN A 52 -14.257 13.822 -0.342 1.00 0.00 C ATOM 802 OD1 ASN A 52 -15.354 13.302 -0.547 1.00 0.00 O ATOM 803 ND2 ASN A 52 -13.614 13.707 0.813 1.00 0.00 N ATOM 0 H ASN A 52 -12.595 12.247 -1.924 1.00 0.00 H new ATOM 0 HA ASN A 52 -14.475 14.087 -3.280 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.551 14.867 -1.101 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -14.087 15.591 -1.534 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -14.027 13.170 1.576 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -12.706 14.155 0.938 1.00 0.00 H new ATOM 810 N GLY A 53 -12.064 15.752 -3.454 1.00 0.00 N ATOM 811 CA GLY A 53 -10.994 16.353 -4.227 1.00 0.00 C ATOM 812 C GLY A 53 -9.650 16.237 -3.536 1.00 0.00 C ATOM 813 O GLY A 53 -8.810 17.130 -3.646 1.00 0.00 O ATOM 0 H GLY A 53 -12.515 16.376 -2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.940 15.873 -5.204 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.221 17.405 -4.401 1.00 0.00 H new ATOM 817 N ARG A 54 -9.446 15.131 -2.822 1.00 0.00 N ATOM 818 CA ARG A 54 -8.193 14.900 -2.109 1.00 0.00 C ATOM 819 C ARG A 54 -8.236 13.599 -1.311 1.00 0.00 C ATOM 820 O ARG A 54 -7.200 12.979 -1.075 1.00 0.00 O ATOM 821 CB ARG A 54 -7.883 16.071 -1.173 1.00 0.00 C ATOM 822 CG ARG A 54 -9.036 16.432 -0.249 1.00 0.00 C ATOM 823 CD ARG A 54 -8.562 17.249 0.944 1.00 0.00 C ATOM 824 NE ARG A 54 -8.777 16.549 2.208 1.00 0.00 N ATOM 825 CZ ARG A 54 -8.681 17.130 3.402 1.00 0.00 C ATOM 826 NH1 ARG A 54 -8.375 18.418 3.499 1.00 0.00 N ATOM 827 NH2 ARG A 54 -8.892 16.421 4.502 1.00 0.00 N ATOM 0 H ARG A 54 -10.132 14.383 -2.723 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.403 14.818 -2.855 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.009 15.823 -0.570 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.620 16.944 -1.771 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.785 16.998 -0.804 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.521 15.521 0.102 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.502 17.474 0.830 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.090 18.202 0.963 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.014 15.558 2.174 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.212 18.968 2.656 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.303 18.857 4.417 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.128 15.431 4.433 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.819 16.865 5.417 1.00 0.00 H new ATOM 841 N LYS A 55 -9.433 13.192 -0.893 1.00 0.00 N ATOM 842 CA LYS A 55 -9.596 11.962 -0.121 1.00 0.00 C ATOM 843 C LYS A 55 -9.227 10.743 -0.964 1.00 0.00 C ATOM 844 O LYS A 55 -10.083 9.930 -1.315 1.00 0.00 O ATOM 845 CB LYS A 55 -11.037 11.845 0.388 1.00 0.00 C ATOM 846 CG LYS A 55 -11.137 11.691 1.897 1.00 0.00 C ATOM 847 CD LYS A 55 -10.434 10.430 2.377 1.00 0.00 C ATOM 848 CE LYS A 55 -11.291 9.196 2.150 1.00 0.00 C ATOM 849 NZ LYS A 55 -12.040 8.806 3.376 1.00 0.00 N ATOM 0 H LYS A 55 -10.302 13.694 -1.075 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.924 12.000 0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.594 12.731 0.084 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.514 10.989 -0.089 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.696 12.562 2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.186 11.659 2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.486 10.318 1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.201 10.523 3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.995 9.387 1.340 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.658 8.368 1.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.612 7.960 3.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.368 8.599 4.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.664 9.586 3.665 1.00 0.00 H new ATOM 863 N THR A 56 -7.944 10.630 -1.288 1.00 0.00 N ATOM 864 CA THR A 56 -7.443 9.524 -2.094 1.00 0.00 C ATOM 865 C THR A 56 -7.104 8.321 -1.222 1.00 0.00 C ATOM 866 O THR A 56 -6.749 8.467 -0.053 1.00 0.00 O ATOM 867 CB THR A 56 -6.209 9.969 -2.883 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.097 11.382 -2.886 1.00 0.00 O ATOM 869 CG2 THR A 56 -6.219 9.509 -4.322 1.00 0.00 C ATOM 0 H THR A 56 -7.227 11.297 -1.002 1.00 0.00 H new ATOM 0 HA THR A 56 -8.226 9.226 -2.791 1.00 0.00 H new ATOM 0 HB THR A 56 -5.362 9.506 -2.376 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.226 11.640 -3.253 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.316 9.859 -4.822 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.254 8.420 -4.356 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.095 9.916 -4.828 1.00 0.00 H new ATOM 877 N LEU A 57 -7.216 7.130 -1.801 1.00 0.00 N ATOM 878 CA LEU A 57 -6.922 5.900 -1.079 1.00 0.00 C ATOM 879 C LEU A 57 -6.313 4.853 -2.010 1.00 0.00 C ATOM 880 O LEU A 57 -7.009 3.960 -2.492 1.00 0.00 O ATOM 881 CB LEU A 57 -8.196 5.347 -0.436 1.00 0.00 C ATOM 882 CG LEU A 57 -8.381 5.700 1.042 1.00 0.00 C ATOM 883 CD1 LEU A 57 -9.790 5.355 1.499 1.00 0.00 C ATOM 884 CD2 LEU A 57 -7.348 4.979 1.898 1.00 0.00 C ATOM 0 H LEU A 57 -7.508 6.992 -2.768 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.197 6.130 -0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.056 5.718 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.194 4.262 -0.537 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.234 6.774 1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.904 5.612 2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.512 5.918 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.965 4.287 1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.496 5.243 2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.462 3.902 1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.346 5.276 1.587 1.00 0.00 H new ATOM 896 N THR A 58 -5.012 4.967 -2.259 1.00 0.00 N ATOM 897 CA THR A 58 -4.317 4.026 -3.131 1.00 0.00 C ATOM 898 C THR A 58 -4.418 2.606 -2.585 1.00 0.00 C ATOM 899 O THR A 58 -4.276 2.385 -1.384 1.00 0.00 O ATOM 900 CB THR A 58 -2.847 4.424 -3.277 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.732 5.741 -3.786 1.00 0.00 O ATOM 902 CG2 THR A 58 -2.065 3.508 -4.192 1.00 0.00 C ATOM 0 H THR A 58 -4.419 5.700 -1.870 1.00 0.00 H new ATOM 0 HA THR A 58 -4.793 4.056 -4.111 1.00 0.00 H new ATOM 0 HB THR A 58 -2.428 4.350 -2.273 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.922 6.385 -3.073 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.031 3.848 -4.250 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.091 2.492 -3.799 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.508 3.523 -5.188 1.00 0.00 H new ATOM 910 N THR A 59 -4.662 1.644 -3.469 1.00 0.00 N ATOM 911 CA THR A 59 -4.778 0.250 -3.054 1.00 0.00 C ATOM 912 C THR A 59 -3.752 -0.627 -3.760 1.00 0.00 C ATOM 913 O THR A 59 -3.260 -0.287 -4.836 1.00 0.00 O ATOM 914 CB THR A 59 -6.187 -0.283 -3.329 1.00 0.00 C ATOM 915 OG1 THR A 59 -6.858 0.531 -4.275 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.050 -0.353 -2.088 1.00 0.00 C ATOM 0 H THR A 59 -4.782 1.802 -4.470 1.00 0.00 H new ATOM 0 HA THR A 59 -4.585 0.213 -1.982 1.00 0.00 H new ATOM 0 HB THR A 59 -6.044 -1.293 -3.712 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.461 1.146 -3.808 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.035 -0.738 -2.351 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.584 -1.015 -1.358 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.153 0.644 -1.660 1.00 0.00 H new ATOM 924 N VAL A 60 -3.440 -1.762 -3.143 1.00 0.00 N ATOM 925 CA VAL A 60 -2.477 -2.701 -3.708 1.00 0.00 C ATOM 926 C VAL A 60 -3.089 -4.090 -3.857 1.00 0.00 C ATOM 927 O VAL A 60 -3.526 -4.697 -2.878 1.00 0.00 O ATOM 928 CB VAL A 60 -1.206 -2.795 -2.841 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.234 -3.825 -3.407 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.544 -1.434 -2.737 1.00 0.00 C ATOM 0 H VAL A 60 -3.840 -2.054 -2.251 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.203 -2.322 -4.693 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.494 -3.122 -1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.654 -3.872 -2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.714 -4.803 -3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.053 -3.537 -4.418 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.353 -1.512 -2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.272 -1.085 -3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.236 -0.727 -2.281 1.00 0.00 H new ATOM 940 N GLN A 61 -3.110 -4.586 -5.091 1.00 0.00 N ATOM 941 CA GLN A 61 -3.660 -5.904 -5.382 1.00 0.00 C ATOM 942 C GLN A 61 -2.595 -6.808 -5.991 1.00 0.00 C ATOM 943 O GLN A 61 -1.717 -6.345 -6.720 1.00 0.00 O ATOM 944 CB GLN A 61 -4.851 -5.787 -6.334 1.00 0.00 C ATOM 945 CG GLN A 61 -5.996 -6.729 -5.997 1.00 0.00 C ATOM 946 CD GLN A 61 -6.480 -7.517 -7.198 1.00 0.00 C ATOM 947 OE1 GLN A 61 -6.794 -8.704 -7.090 1.00 0.00 O ATOM 948 NE2 GLN A 61 -6.545 -6.862 -8.350 1.00 0.00 N ATOM 0 H GLN A 61 -2.751 -4.092 -5.908 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.999 -6.346 -4.445 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.219 -4.761 -6.317 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.514 -5.988 -7.351 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.674 -7.422 -5.219 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.826 -6.153 -5.587 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.275 -5.879 -8.394 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.865 -7.341 -9.192 1.00 0.00 H new ATOM 957 N GLY A 62 -2.673 -8.098 -5.684 1.00 0.00 N ATOM 958 CA GLY A 62 -1.706 -9.044 -6.206 1.00 0.00 C ATOM 959 C GLY A 62 -0.702 -9.477 -5.156 1.00 0.00 C ATOM 960 O GLY A 62 -0.102 -10.546 -5.262 1.00 0.00 O ATOM 0 H GLY A 62 -3.389 -8.505 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.229 -9.920 -6.589 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.178 -8.594 -7.047 1.00 0.00 H new ATOM 964 N ILE A 63 -0.521 -8.640 -4.139 1.00 0.00 N ATOM 965 CA ILE A 63 0.414 -8.932 -3.061 1.00 0.00 C ATOM 966 C ILE A 63 -0.124 -10.031 -2.151 1.00 0.00 C ATOM 967 O ILE A 63 -1.331 -10.137 -1.929 1.00 0.00 O ATOM 968 CB ILE A 63 0.713 -7.661 -2.228 1.00 0.00 C ATOM 969 CG1 ILE A 63 1.543 -6.655 -3.043 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.425 -8.010 -0.926 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.508 -7.289 -4.024 1.00 0.00 C ATOM 0 H ILE A 63 -1.012 -7.751 -4.040 1.00 0.00 H new ATOM 0 HA ILE A 63 1.341 -9.279 -3.517 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.241 -7.197 -1.977 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.864 -6.002 -3.591 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.106 -6.025 -2.354 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.622 -7.098 -0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.795 -8.674 -0.333 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.368 -8.509 -1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.052 -6.508 -4.556 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.214 -7.919 -3.484 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.953 -7.896 -4.739 1.00 0.00 H new ATOM 983 N ALA A 64 0.785 -10.845 -1.626 1.00 0.00 N ATOM 984 CA ALA A 64 0.413 -11.937 -0.737 1.00 0.00 C ATOM 985 C ALA A 64 0.177 -11.430 0.681 1.00 0.00 C ATOM 986 O ALA A 64 0.920 -10.585 1.179 1.00 0.00 O ATOM 987 CB ALA A 64 1.487 -13.013 -0.743 1.00 0.00 C ATOM 0 H ALA A 64 1.787 -10.768 -1.802 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.519 -12.369 -1.102 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.195 -13.822 -0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.606 -13.403 -1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.431 -12.586 -0.405 1.00 0.00 H new ATOM 993 N ASP A 65 -0.859 -11.952 1.327 1.00 0.00 N ATOM 994 CA ASP A 65 -1.192 -11.554 2.689 1.00 0.00 C ATOM 995 C ASP A 65 -0.099 -11.975 3.671 1.00 0.00 C ATOM 996 O ASP A 65 -0.070 -11.514 4.812 1.00 0.00 O ATOM 997 CB ASP A 65 -2.531 -12.165 3.107 1.00 0.00 C ATOM 998 CG ASP A 65 -2.557 -13.672 2.944 1.00 0.00 C ATOM 999 OD1 ASP A 65 -1.585 -14.229 2.389 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -3.550 -14.297 3.371 1.00 0.00 O ATOM 0 H ASP A 65 -1.484 -12.653 0.929 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.270 -10.467 2.711 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.733 -11.912 4.148 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.330 -11.724 2.511 1.00 0.00 H new ATOM 1005 N ASP A 66 0.797 -12.854 3.225 1.00 0.00 N ATOM 1006 CA ASP A 66 1.883 -13.332 4.072 1.00 0.00 C ATOM 1007 C ASP A 66 3.162 -12.532 3.840 1.00 0.00 C ATOM 1008 O ASP A 66 4.267 -13.055 3.989 1.00 0.00 O ATOM 1009 CB ASP A 66 2.144 -14.816 3.808 1.00 0.00 C ATOM 1010 CG ASP A 66 2.768 -15.515 5.001 1.00 0.00 C ATOM 1011 OD1 ASP A 66 2.028 -15.834 5.955 1.00 0.00 O ATOM 1012 OD2 ASP A 66 3.996 -15.743 4.980 1.00 0.00 O ATOM 0 H ASP A 66 0.791 -13.247 2.284 1.00 0.00 H new ATOM 0 HA ASP A 66 1.581 -13.197 5.110 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.205 -15.307 3.553 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.802 -14.918 2.945 1.00 0.00 H new ATOM 1017 N TYR A 67 3.010 -11.260 3.479 1.00 0.00 N ATOM 1018 CA TYR A 67 4.156 -10.391 3.233 1.00 0.00 C ATOM 1019 C TYR A 67 4.604 -9.684 4.513 1.00 0.00 C ATOM 1020 O TYR A 67 5.210 -8.613 4.454 1.00 0.00 O ATOM 1021 CB TYR A 67 3.797 -9.347 2.178 1.00 0.00 C ATOM 1022 CG TYR A 67 4.066 -9.771 0.752 1.00 0.00 C ATOM 1023 CD1 TYR A 67 4.218 -11.109 0.404 1.00 0.00 C ATOM 1024 CD2 TYR A 67 4.160 -8.821 -0.251 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.459 -11.481 -0.905 1.00 0.00 C ATOM 1026 CE2 TYR A 67 4.399 -9.181 -1.560 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.548 -10.513 -1.885 1.00 0.00 C ATOM 1028 OH TYR A 67 4.787 -10.878 -3.189 1.00 0.00 O ATOM 0 H TYR A 67 2.104 -10.809 3.351 1.00 0.00 H new ATOM 0 HA TYR A 67 4.978 -11.013 2.878 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.740 -9.100 2.276 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.358 -8.435 2.383 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.147 -11.869 1.168 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.044 -7.776 -0.003 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.577 -12.524 -1.160 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.469 -8.424 -2.327 1.00 0.00 H new ATOM 0 HH TYR A 67 4.819 -10.077 -3.752 1.00 0.00 H new ATOM 1038 N ASP A 68 4.300 -10.283 5.665 1.00 0.00 N ATOM 1039 CA ASP A 68 4.666 -9.714 6.964 1.00 0.00 C ATOM 1040 C ASP A 68 3.665 -8.646 7.417 1.00 0.00 C ATOM 1041 O ASP A 68 3.623 -8.292 8.594 1.00 0.00 O ATOM 1042 CB ASP A 68 6.075 -9.125 6.916 1.00 0.00 C ATOM 1043 CG ASP A 68 6.776 -9.185 8.260 1.00 0.00 C ATOM 1044 OD1 ASP A 68 6.898 -10.296 8.816 1.00 0.00 O ATOM 1045 OD2 ASP A 68 7.199 -8.120 8.756 1.00 0.00 O ATOM 0 H ASP A 68 3.798 -11.169 5.725 1.00 0.00 H new ATOM 0 HA ASP A 68 4.644 -10.525 7.692 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.666 -9.666 6.177 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.021 -8.088 6.584 1.00 0.00 H new ATOM 1050 N LYS A 69 2.858 -8.144 6.484 1.00 0.00 N ATOM 1051 CA LYS A 69 1.857 -7.128 6.796 1.00 0.00 C ATOM 1052 C LYS A 69 2.508 -5.830 7.273 1.00 0.00 C ATOM 1053 O LYS A 69 2.583 -4.854 6.527 1.00 0.00 O ATOM 1054 CB LYS A 69 0.884 -7.649 7.857 1.00 0.00 C ATOM 1055 CG LYS A 69 -0.195 -6.649 8.240 1.00 0.00 C ATOM 1056 CD LYS A 69 -1.252 -7.285 9.127 1.00 0.00 C ATOM 1057 CE LYS A 69 -0.801 -7.344 10.577 1.00 0.00 C ATOM 1058 NZ LYS A 69 -1.954 -7.343 11.520 1.00 0.00 N ATOM 0 H LYS A 69 2.879 -8.426 5.504 1.00 0.00 H new ATOM 0 HA LYS A 69 1.306 -6.912 5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.410 -8.558 7.487 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.446 -7.923 8.750 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.258 -5.804 8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.664 -6.255 7.339 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.179 -6.715 9.056 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.469 -8.292 8.771 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.204 -8.242 10.735 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.157 -6.491 10.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.603 -7.384 12.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.510 -6.474 11.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.556 -8.170 11.333 1.00 0.00 H new ATOM 1072 N LYS A 70 2.970 -5.822 8.520 1.00 0.00 N ATOM 1073 CA LYS A 70 3.606 -4.641 9.097 1.00 0.00 C ATOM 1074 C LYS A 70 4.696 -4.092 8.179 1.00 0.00 C ATOM 1075 O LYS A 70 4.758 -2.892 7.919 1.00 0.00 O ATOM 1076 CB LYS A 70 4.199 -4.974 10.468 1.00 0.00 C ATOM 1077 CG LYS A 70 5.325 -5.994 10.412 1.00 0.00 C ATOM 1078 CD LYS A 70 5.783 -6.391 11.806 1.00 0.00 C ATOM 1079 CE LYS A 70 6.212 -7.848 11.858 1.00 0.00 C ATOM 1080 NZ LYS A 70 5.044 -8.772 11.830 1.00 0.00 N ATOM 0 H LYS A 70 2.916 -6.621 9.151 1.00 0.00 H new ATOM 0 HA LYS A 70 2.840 -3.874 9.213 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.572 -4.058 10.925 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.408 -5.354 11.114 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.990 -6.879 9.872 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.166 -5.580 9.855 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.614 -5.755 12.112 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.974 -6.223 12.517 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.866 -8.064 11.013 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.792 -8.024 12.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.362 -9.740 12.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.350 -8.476 12.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.603 -8.746 10.888 1.00 0.00 H new ATOM 1094 N LYS A 71 5.548 -4.981 7.685 1.00 0.00 N ATOM 1095 CA LYS A 71 6.634 -4.583 6.796 1.00 0.00 C ATOM 1096 C LYS A 71 6.106 -3.898 5.533 1.00 0.00 C ATOM 1097 O LYS A 71 6.874 -3.302 4.778 1.00 0.00 O ATOM 1098 CB LYS A 71 7.474 -5.802 6.412 1.00 0.00 C ATOM 1099 CG LYS A 71 8.871 -5.450 5.925 1.00 0.00 C ATOM 1100 CD LYS A 71 8.951 -5.453 4.406 1.00 0.00 C ATOM 1101 CE LYS A 71 10.190 -6.181 3.913 1.00 0.00 C ATOM 1102 NZ LYS A 71 11.431 -5.670 4.559 1.00 0.00 N ATOM 0 H LYS A 71 5.509 -5.981 7.884 1.00 0.00 H new ATOM 0 HA LYS A 71 7.256 -3.867 7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.555 -6.463 7.275 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.956 -6.359 5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.152 -4.467 6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.589 -6.164 6.329 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.061 -5.929 3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.961 -4.427 4.040 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.089 -7.247 4.115 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.271 -6.068 2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.248 -5.869 3.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.349 -4.643 4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.563 -6.140 5.477 1.00 0.00 H new ATOM 1116 N LEU A 72 4.799 -3.994 5.297 1.00 0.00 N ATOM 1117 CA LEU A 72 4.193 -3.388 4.117 1.00 0.00 C ATOM 1118 C LEU A 72 3.554 -2.047 4.448 1.00 0.00 C ATOM 1119 O LEU A 72 4.019 -1.003 3.996 1.00 0.00 O ATOM 1120 CB LEU A 72 3.141 -4.327 3.520 1.00 0.00 C ATOM 1121 CG LEU A 72 3.672 -5.644 2.930 1.00 0.00 C ATOM 1122 CD1 LEU A 72 5.104 -5.912 3.380 1.00 0.00 C ATOM 1123 CD2 LEU A 72 2.762 -6.800 3.322 1.00 0.00 C ATOM 0 H LEU A 72 4.143 -4.484 5.905 1.00 0.00 H new ATOM 0 HA LEU A 72 4.985 -3.219 3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.414 -4.566 4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.606 -3.790 2.737 1.00 0.00 H new ATOM 0 HG LEU A 72 3.676 -5.553 1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.452 -6.850 2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.748 -5.098 3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.137 -5.980 4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.148 -7.727 2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.728 -6.884 4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.757 -6.618 2.940 1.00 0.00 H new ATOM 1135 N VAL A 73 2.481 -2.083 5.231 1.00 0.00 N ATOM 1136 CA VAL A 73 1.777 -0.867 5.608 1.00 0.00 C ATOM 1137 C VAL A 73 2.507 -0.131 6.728 1.00 0.00 C ATOM 1138 O VAL A 73 2.695 1.084 6.661 1.00 0.00 O ATOM 1139 CB VAL A 73 0.322 -1.170 6.033 1.00 0.00 C ATOM 1140 CG1 VAL A 73 0.264 -1.745 7.443 1.00 0.00 C ATOM 1141 CG2 VAL A 73 -0.535 0.079 5.920 1.00 0.00 C ATOM 0 H VAL A 73 2.082 -2.940 5.615 1.00 0.00 H new ATOM 0 HA VAL A 73 1.752 -0.223 4.729 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.077 -1.924 5.355 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.773 -1.947 7.711 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.836 -2.672 7.482 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.688 -1.028 8.146 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.556 -0.152 6.223 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.131 0.857 6.568 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.533 0.429 4.888 1.00 0.00 H new ATOM 1151 N LYS A 74 2.929 -0.871 7.749 1.00 0.00 N ATOM 1152 CA LYS A 74 3.652 -0.272 8.864 1.00 0.00 C ATOM 1153 C LYS A 74 4.952 0.339 8.363 1.00 0.00 C ATOM 1154 O LYS A 74 5.312 1.457 8.734 1.00 0.00 O ATOM 1155 CB LYS A 74 3.943 -1.314 9.946 1.00 0.00 C ATOM 1156 CG LYS A 74 3.933 -0.746 11.356 1.00 0.00 C ATOM 1157 CD LYS A 74 5.042 -1.345 12.208 1.00 0.00 C ATOM 1158 CE LYS A 74 4.494 -2.331 13.227 1.00 0.00 C ATOM 1159 NZ LYS A 74 5.464 -2.591 14.326 1.00 0.00 N ATOM 0 H LYS A 74 2.784 -1.878 7.827 1.00 0.00 H new ATOM 0 HA LYS A 74 3.031 0.509 9.302 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.203 -2.111 9.879 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.916 -1.765 9.752 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.050 0.337 11.314 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.968 -0.944 11.822 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.764 -1.849 11.565 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.577 -0.547 12.724 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.566 -1.942 13.646 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.250 -3.269 12.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.052 -3.268 14.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.340 -2.987 13.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.678 -1.700 14.818 1.00 0.00 H new ATOM 1173 N ALA A 75 5.645 -0.400 7.501 1.00 0.00 N ATOM 1174 CA ALA A 75 6.896 0.071 6.926 1.00 0.00 C ATOM 1175 C ALA A 75 6.644 1.279 6.035 1.00 0.00 C ATOM 1176 O ALA A 75 7.389 2.258 6.076 1.00 0.00 O ATOM 1177 CB ALA A 75 7.575 -1.041 6.143 1.00 0.00 C ATOM 0 H ALA A 75 5.359 -1.327 7.187 1.00 0.00 H new ATOM 0 HA ALA A 75 7.561 0.371 7.736 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.509 -0.670 5.720 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.785 -1.879 6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.919 -1.372 5.338 1.00 0.00 H new ATOM 1183 N PHE A 76 5.577 1.211 5.235 1.00 0.00 N ATOM 1184 CA PHE A 76 5.216 2.312 4.339 1.00 0.00 C ATOM 1185 C PHE A 76 5.283 3.654 5.072 1.00 0.00 C ATOM 1186 O PHE A 76 5.931 4.593 4.611 1.00 0.00 O ATOM 1187 CB PHE A 76 3.810 2.104 3.769 1.00 0.00 C ATOM 1188 CG PHE A 76 3.569 2.829 2.475 1.00 0.00 C ATOM 1189 CD1 PHE A 76 4.104 2.354 1.287 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.808 3.988 2.445 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.886 3.019 0.098 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.587 4.657 1.256 1.00 0.00 C ATOM 1193 CZ PHE A 76 3.127 4.172 0.080 1.00 0.00 C ATOM 0 H PHE A 76 4.950 0.408 5.189 1.00 0.00 H new ATOM 0 HA PHE A 76 5.933 2.324 3.518 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.645 1.038 3.614 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.077 2.437 4.504 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.699 1.452 1.293 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.383 4.372 3.361 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.309 2.637 -0.819 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.992 5.559 1.246 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.956 4.693 -0.850 1.00 0.00 H new ATOM 1203 N LYS A 77 4.611 3.731 6.219 1.00 0.00 N ATOM 1204 CA LYS A 77 4.596 4.953 7.020 1.00 0.00 C ATOM 1205 C LYS A 77 6.004 5.320 7.488 1.00 0.00 C ATOM 1206 O LYS A 77 6.284 6.475 7.807 1.00 0.00 O ATOM 1207 CB LYS A 77 3.677 4.783 8.232 1.00 0.00 C ATOM 1208 CG LYS A 77 2.197 4.813 7.884 1.00 0.00 C ATOM 1209 CD LYS A 77 1.337 4.420 9.075 1.00 0.00 C ATOM 1210 CE LYS A 77 1.485 2.944 9.407 1.00 0.00 C ATOM 1211 NZ LYS A 77 1.603 2.714 10.874 1.00 0.00 N ATOM 0 H LYS A 77 4.070 2.962 6.614 1.00 0.00 H new ATOM 0 HA LYS A 77 4.218 5.760 6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.907 3.837 8.722 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.888 5.574 8.951 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.921 5.813 7.549 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.003 4.134 7.054 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.618 5.019 9.941 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.292 4.642 8.860 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.624 2.397 9.022 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.367 2.546 8.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.702 1.695 11.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.439 3.215 11.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.751 3.071 11.351 1.00 0.00 H new ATOM 1225 N LYS A 78 6.887 4.331 7.525 1.00 0.00 N ATOM 1226 CA LYS A 78 8.262 4.553 7.951 1.00 0.00 C ATOM 1227 C LYS A 78 9.094 5.136 6.816 1.00 0.00 C ATOM 1228 O LYS A 78 10.173 5.685 7.043 1.00 0.00 O ATOM 1229 CB LYS A 78 8.883 3.238 8.423 1.00 0.00 C ATOM 1230 CG LYS A 78 10.145 3.422 9.250 1.00 0.00 C ATOM 1231 CD LYS A 78 9.825 3.871 10.668 1.00 0.00 C ATOM 1232 CE LYS A 78 10.308 5.289 10.928 1.00 0.00 C ATOM 1233 NZ LYS A 78 9.656 5.889 12.126 1.00 0.00 N ATOM 0 H LYS A 78 6.676 3.368 7.265 1.00 0.00 H new ATOM 0 HA LYS A 78 8.253 5.266 8.776 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.148 2.691 9.014 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.115 2.623 7.554 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.700 2.484 9.281 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.790 4.159 8.771 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.749 3.816 10.834 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.292 3.191 11.380 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.389 5.284 11.068 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.102 5.908 10.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.013 6.855 12.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.626 5.918 11.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.873 5.313 12.964 1.00 0.00 H new ATOM 1247 N LYS A 79 8.594 5.006 5.590 1.00 0.00 N ATOM 1248 CA LYS A 79 9.301 5.512 4.423 1.00 0.00 C ATOM 1249 C LYS A 79 8.669 6.800 3.898 1.00 0.00 C ATOM 1250 O LYS A 79 9.373 7.759 3.580 1.00 0.00 O ATOM 1251 CB LYS A 79 9.317 4.455 3.317 1.00 0.00 C ATOM 1252 CG LYS A 79 10.116 4.869 2.092 1.00 0.00 C ATOM 1253 CD LYS A 79 10.415 3.680 1.194 1.00 0.00 C ATOM 1254 CE LYS A 79 11.576 3.968 0.257 1.00 0.00 C ATOM 1255 NZ LYS A 79 12.838 4.236 1.001 1.00 0.00 N ATOM 0 H LYS A 79 7.703 4.555 5.382 1.00 0.00 H new ATOM 0 HA LYS A 79 10.323 5.737 4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.733 3.530 3.716 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.292 4.240 3.016 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.560 5.620 1.530 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.051 5.333 2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.648 2.809 1.807 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.528 3.431 0.611 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.722 3.119 -0.411 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.333 4.828 -0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.652 3.980 0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.890 5.246 1.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.854 3.670 1.873 1.00 0.00 H new ATOM 1269 N PHE A 80 7.344 6.814 3.798 1.00 0.00 N ATOM 1270 CA PHE A 80 6.630 7.987 3.295 1.00 0.00 C ATOM 1271 C PHE A 80 5.743 8.614 4.369 1.00 0.00 C ATOM 1272 O PHE A 80 5.309 9.758 4.230 1.00 0.00 O ATOM 1273 CB PHE A 80 5.776 7.612 2.080 1.00 0.00 C ATOM 1274 CG PHE A 80 6.363 6.511 1.243 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.162 5.183 1.583 1.00 0.00 C ATOM 1276 CD2 PHE A 80 7.115 6.805 0.117 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.699 4.169 0.817 1.00 0.00 C ATOM 1278 CE2 PHE A 80 7.656 5.794 -0.654 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.447 4.474 -0.302 1.00 0.00 C ATOM 0 H PHE A 80 6.743 6.031 4.057 1.00 0.00 H new ATOM 0 HA PHE A 80 7.380 8.722 3.002 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.787 7.307 2.423 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.639 8.496 1.457 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.578 4.939 2.458 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.280 7.835 -0.161 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.534 3.138 1.093 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.241 6.035 -1.530 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.869 3.681 -0.902 1.00 0.00 H new ATOM 1289 N ALA A 81 5.468 7.866 5.433 1.00 0.00 N ATOM 1290 CA ALA A 81 4.623 8.365 6.514 1.00 0.00 C ATOM 1291 C ALA A 81 3.190 8.555 6.032 1.00 0.00 C ATOM 1292 O ALA A 81 2.517 9.513 6.412 1.00 0.00 O ATOM 1293 CB ALA A 81 5.178 9.671 7.065 1.00 0.00 C ATOM 0 H ALA A 81 5.816 6.917 5.570 1.00 0.00 H new ATOM 0 HA ALA A 81 4.620 7.626 7.315 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.536 10.028 7.870 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.184 9.505 7.450 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.212 10.416 6.270 1.00 0.00 H new ATOM 1299 N CYS A 82 2.731 7.631 5.195 1.00 0.00 N ATOM 1300 CA CYS A 82 1.375 7.692 4.660 1.00 0.00 C ATOM 1301 C CYS A 82 0.460 6.717 5.390 1.00 0.00 C ATOM 1302 O CYS A 82 0.832 5.571 5.645 1.00 0.00 O ATOM 1303 CB CYS A 82 1.381 7.387 3.161 1.00 0.00 C ATOM 1304 SG CYS A 82 1.358 8.860 2.113 1.00 0.00 S ATOM 0 H CYS A 82 3.277 6.832 4.873 1.00 0.00 H new ATOM 0 HA CYS A 82 0.994 8.702 4.814 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.267 6.798 2.924 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.515 6.770 2.922 1.00 0.00 H new ATOM 0 HG CYS A 82 2.004 8.618 1.011 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.739 7.179 5.723 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.710 6.350 6.426 1.00 0.00 C ATOM 1312 C ASN A 83 -2.142 5.170 5.563 1.00 0.00 C ATOM 1313 O ASN A 83 -2.848 5.339 4.570 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.928 7.183 6.827 1.00 0.00 C ATOM 1315 CG ASN A 83 -3.116 7.250 8.330 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -4.231 7.125 8.836 1.00 0.00 O ATOM 1317 ND2 ASN A 83 -2.020 7.449 9.055 1.00 0.00 N ATOM 0 H ASN A 83 -1.062 8.124 5.517 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.236 5.961 7.327 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.819 8.193 6.432 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.822 6.757 6.371 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.084 7.503 10.072 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.115 7.547 8.595 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.711 3.975 5.950 1.00 0.00 N ATOM 1325 CA GLY A 84 -2.063 2.784 5.202 1.00 0.00 C ATOM 1326 C GLY A 84 -2.973 1.858 5.982 1.00 0.00 C ATOM 1327 O GLY A 84 -2.762 1.623 7.171 1.00 0.00 O ATOM 0 H GLY A 84 -1.124 3.810 6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -2.554 3.074 4.273 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -1.154 2.249 4.928 1.00 0.00 H new ATOM 1331 N THR A 85 -3.992 1.332 5.309 1.00 0.00 N ATOM 1332 CA THR A 85 -4.941 0.427 5.952 1.00 0.00 C ATOM 1333 C THR A 85 -5.200 -0.803 5.089 1.00 0.00 C ATOM 1334 O THR A 85 -5.634 -0.689 3.944 1.00 0.00 O ATOM 1335 CB THR A 85 -6.257 1.154 6.231 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.794 1.698 5.039 1.00 0.00 O ATOM 1337 CG2 THR A 85 -6.114 2.283 7.227 1.00 0.00 C ATOM 0 H THR A 85 -4.182 1.515 4.324 1.00 0.00 H new ATOM 0 HA THR A 85 -4.505 0.097 6.895 1.00 0.00 H new ATOM 0 HB THR A 85 -6.921 0.399 6.652 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.066 2.037 4.477 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.083 2.758 7.381 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.749 1.888 8.175 1.00 0.00 H new ATOM 0 HG23 THR A 85 -5.407 3.019 6.844 1.00 0.00 H new ATOM 1345 N VAL A 86 -4.934 -1.978 5.649 1.00 0.00 N ATOM 1346 CA VAL A 86 -5.140 -3.232 4.934 1.00 0.00 C ATOM 1347 C VAL A 86 -6.621 -3.608 4.901 1.00 0.00 C ATOM 1348 O VAL A 86 -7.140 -4.211 5.841 1.00 0.00 O ATOM 1349 CB VAL A 86 -4.334 -4.382 5.572 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -4.745 -4.589 7.022 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -4.501 -5.668 4.771 1.00 0.00 C ATOM 0 H VAL A 86 -4.575 -2.088 6.597 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.787 -3.080 3.914 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.279 -4.108 5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.164 -5.405 7.452 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.560 -3.675 7.587 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.806 -4.836 7.068 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.924 -6.466 5.239 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.554 -5.948 4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.144 -5.511 3.753 1.00 0.00 H new ATOM 1361 N ILE A 87 -7.295 -3.248 3.813 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.714 -3.548 3.659 1.00 0.00 C ATOM 1363 C ILE A 87 -8.926 -4.823 2.849 1.00 0.00 C ATOM 1364 O ILE A 87 -8.120 -5.160 1.983 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.466 -2.395 2.961 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.908 -2.164 1.554 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -9.377 -1.120 3.787 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -9.978 -2.061 0.490 1.00 0.00 C ATOM 0 H ILE A 87 -6.882 -2.749 3.026 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.111 -3.682 4.665 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.516 -2.674 2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.316 -1.249 1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.233 -2.981 1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.913 -0.319 3.278 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.823 -1.290 4.767 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.331 -0.837 3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.511 -1.898 -0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.555 -2.985 0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.640 -1.226 0.719 1.00 0.00 H new ATOM 1380 N GLU A 88 -10.022 -5.520 3.123 1.00 0.00 N ATOM 1381 CA GLU A 88 -10.339 -6.744 2.402 1.00 0.00 C ATOM 1382 C GLU A 88 -11.390 -6.469 1.334 1.00 0.00 C ATOM 1383 O GLU A 88 -12.545 -6.876 1.459 1.00 0.00 O ATOM 1384 CB GLU A 88 -10.834 -7.827 3.359 1.00 0.00 C ATOM 1385 CG GLU A 88 -10.485 -9.231 2.899 1.00 0.00 C ATOM 1386 CD GLU A 88 -10.631 -10.262 4.000 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -10.579 -9.875 5.187 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -10.795 -11.457 3.677 1.00 0.00 O ATOM 0 H GLU A 88 -10.703 -5.259 3.836 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.429 -7.101 1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.403 -7.656 4.346 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.916 -7.744 3.465 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.128 -9.505 2.063 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.460 -9.243 2.529 1.00 0.00 H new ATOM 1395 N HIS A 89 -10.975 -5.766 0.287 1.00 0.00 N ATOM 1396 CA HIS A 89 -11.865 -5.416 -0.813 1.00 0.00 C ATOM 1397 C HIS A 89 -12.683 -6.622 -1.276 1.00 0.00 C ATOM 1398 O HIS A 89 -12.161 -7.731 -1.379 1.00 0.00 O ATOM 1399 CB HIS A 89 -11.051 -4.861 -1.983 1.00 0.00 C ATOM 1400 CG HIS A 89 -11.773 -3.818 -2.775 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.241 -4.039 -4.052 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -12.112 -2.545 -2.464 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -12.838 -2.946 -4.495 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -12.774 -2.024 -3.551 1.00 0.00 N ATOM 0 H HIS A 89 -10.020 -5.425 0.177 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.559 -4.655 -0.455 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.123 -4.436 -1.600 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.776 -5.682 -2.645 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -11.902 -2.034 -1.536 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.300 -2.827 -5.464 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.154 -1.080 -3.618 1.00 0.00 H new ATOM 1413 N PRO A 90 -13.981 -6.420 -1.567 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.862 -7.496 -2.023 1.00 0.00 C ATOM 1415 C PRO A 90 -14.642 -7.833 -3.495 1.00 0.00 C ATOM 1416 O PRO A 90 -14.994 -8.918 -3.956 1.00 0.00 O ATOM 1417 CB PRO A 90 -16.257 -6.913 -1.810 1.00 0.00 C ATOM 1418 CG PRO A 90 -16.078 -5.444 -1.977 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.691 -5.128 -1.476 1.00 0.00 C ATOM 0 HA PRO A 90 -14.688 -8.430 -1.488 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -16.968 -7.311 -2.534 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.641 -7.156 -0.819 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.189 -5.155 -3.022 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.830 -4.894 -1.412 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.210 -4.363 -2.086 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.711 -4.754 -0.453 1.00 0.00 H new ATOM 1427 N GLU A 91 -14.054 -6.891 -4.226 1.00 0.00 N ATOM 1428 CA GLU A 91 -13.779 -7.076 -5.646 1.00 0.00 C ATOM 1429 C GLU A 91 -12.488 -7.865 -5.853 1.00 0.00 C ATOM 1430 O GLU A 91 -12.293 -8.493 -6.893 1.00 0.00 O ATOM 1431 CB GLU A 91 -13.679 -5.717 -6.338 1.00 0.00 C ATOM 1432 CG GLU A 91 -14.766 -5.476 -7.369 1.00 0.00 C ATOM 1433 CD GLU A 91 -16.159 -5.693 -6.810 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -16.710 -4.750 -6.205 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -16.700 -6.806 -6.980 1.00 0.00 O ATOM 0 H GLU A 91 -13.758 -5.988 -3.856 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.600 -7.644 -6.084 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.725 -4.931 -5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.706 -5.637 -6.823 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -14.685 -4.456 -7.746 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.611 -6.143 -8.217 1.00 0.00 H new ATOM 1442 N TYR A 92 -11.607 -7.822 -4.858 1.00 0.00 N ATOM 1443 CA TYR A 92 -10.330 -8.526 -4.935 1.00 0.00 C ATOM 1444 C TYR A 92 -10.236 -9.607 -3.861 1.00 0.00 C ATOM 1445 O TYR A 92 -9.921 -10.761 -4.155 1.00 0.00 O ATOM 1446 CB TYR A 92 -9.173 -7.533 -4.794 1.00 0.00 C ATOM 1447 CG TYR A 92 -9.447 -6.197 -5.452 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -10.098 -6.128 -6.678 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.062 -5.008 -4.847 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -10.356 -4.913 -7.281 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -9.319 -3.788 -5.443 1.00 0.00 C ATOM 1452 CZ TYR A 92 -9.965 -3.745 -6.660 1.00 0.00 C ATOM 1453 OH TYR A 92 -10.222 -2.533 -7.258 1.00 0.00 O ATOM 0 H TYR A 92 -11.753 -7.308 -3.989 1.00 0.00 H new ATOM 0 HA TYR A 92 -10.264 -9.011 -5.909 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.967 -7.373 -3.736 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.274 -7.968 -5.231 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.407 -7.040 -7.167 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.553 -5.037 -3.895 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.862 -4.877 -8.235 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.015 -2.872 -4.958 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.883 -1.810 -6.690 1.00 0.00 H new ATOM 1463 N GLY A 93 -10.520 -9.232 -2.618 1.00 0.00 N ATOM 1464 CA GLY A 93 -10.471 -10.188 -1.525 1.00 0.00 C ATOM 1465 C GLY A 93 -9.396 -9.873 -0.502 1.00 0.00 C ATOM 1466 O GLY A 93 -9.452 -10.355 0.629 1.00 0.00 O ATOM 0 H GLY A 93 -10.783 -8.284 -2.347 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.441 -10.211 -1.028 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.297 -11.185 -1.930 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.414 -9.068 -0.893 1.00 0.00 N ATOM 1471 CA GLU A 94 -7.328 -8.701 0.009 1.00 0.00 C ATOM 1472 C GLU A 94 -6.382 -7.700 -0.651 1.00 0.00 C ATOM 1473 O GLU A 94 -5.611 -8.056 -1.541 1.00 0.00 O ATOM 1474 CB GLU A 94 -6.551 -9.948 0.437 1.00 0.00 C ATOM 1475 CG GLU A 94 -6.730 -10.304 1.904 1.00 0.00 C ATOM 1476 CD GLU A 94 -7.005 -11.779 2.117 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -7.831 -12.344 1.368 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -6.395 -12.371 3.033 1.00 0.00 O ATOM 0 H GLU A 94 -8.347 -8.658 -1.825 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.765 -8.231 0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.870 -10.792 -0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.491 -9.792 0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.832 -10.023 2.454 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -7.553 -9.721 2.318 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.448 -6.447 -0.210 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.597 -5.399 -0.761 1.00 0.00 C ATOM 1487 C VAL A 95 -5.344 -4.301 0.263 1.00 0.00 C ATOM 1488 O VAL A 95 -6.220 -3.970 1.061 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.229 -4.763 -2.011 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.185 -5.726 -3.184 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.656 -4.324 -1.721 1.00 0.00 C ATOM 0 H VAL A 95 -7.081 -6.134 0.526 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.653 -5.873 -1.032 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.649 -3.880 -2.279 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.637 -5.256 -4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.149 -5.983 -3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -6.737 -6.631 -2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.088 -3.876 -2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.250 -5.189 -1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.654 -3.592 -0.914 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.150 -3.726 0.225 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.804 -2.652 1.145 1.00 0.00 C ATOM 1503 C ILE A 96 -4.455 -1.353 0.686 1.00 0.00 C ATOM 1504 O ILE A 96 -4.805 -1.211 -0.484 1.00 0.00 O ATOM 1505 CB ILE A 96 -2.267 -2.483 1.267 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.749 -3.303 2.453 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.869 -1.016 1.410 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.905 -2.615 3.794 1.00 0.00 C ATOM 0 H ILE A 96 -3.410 -3.983 -0.428 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.181 -2.911 2.134 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.811 -2.852 0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.278 -4.256 2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.695 -3.529 2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.785 -0.940 1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.206 -0.461 0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.331 -0.599 2.305 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.515 -3.260 4.581 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.352 -1.676 3.787 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.960 -2.414 3.979 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.631 -0.415 1.608 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.257 0.858 1.276 1.00 0.00 C ATOM 1522 C GLN A 97 -4.476 2.029 1.864 1.00 0.00 C ATOM 1523 O GLN A 97 -4.646 2.377 3.031 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.701 0.887 1.790 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.731 1.166 0.708 1.00 0.00 C ATOM 1526 CD GLN A 97 -9.054 1.644 1.273 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -9.090 2.417 2.231 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -10.151 1.185 0.682 1.00 0.00 N ATOM 0 H GLN A 97 -4.351 -0.510 2.584 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.257 0.958 0.191 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.930 -0.070 2.258 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.786 1.649 2.565 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.339 1.918 0.024 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.895 0.260 0.125 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -10.075 0.546 -0.109 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -11.070 1.472 1.019 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.632 2.644 1.043 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.842 3.787 1.477 1.00 0.00 C ATOM 1539 C LEU A 98 -3.648 5.069 1.329 1.00 0.00 C ATOM 1540 O LEU A 98 -4.596 5.124 0.550 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.555 3.889 0.663 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.659 2.653 0.704 1.00 0.00 C ATOM 1543 CD1 LEU A 98 0.289 2.646 -0.487 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.117 2.604 2.014 1.00 0.00 C ATOM 0 H LEU A 98 -3.478 2.369 0.073 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.583 3.647 2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.816 4.094 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.983 4.744 1.023 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.287 1.764 0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.921 1.759 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.288 2.635 -1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.914 3.539 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.751 1.718 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.738 3.496 2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.582 2.564 2.850 1.00 0.00 H new ATOM 1556 N GLN A 99 -3.269 6.098 2.076 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.968 7.376 2.014 1.00 0.00 C ATOM 1558 C GLN A 99 -3.274 8.326 1.046 1.00 0.00 C ATOM 1559 O GLN A 99 -2.050 8.451 1.052 1.00 0.00 O ATOM 1560 CB GLN A 99 -4.045 8.009 3.405 1.00 0.00 C ATOM 1561 CG GLN A 99 -5.308 7.645 4.169 1.00 0.00 C ATOM 1562 CD GLN A 99 -6.507 8.466 3.738 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -7.540 7.921 3.347 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -6.375 9.786 3.806 1.00 0.00 N ATOM 0 H GLN A 99 -2.486 6.074 2.729 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.980 7.192 1.652 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.177 7.698 3.985 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.990 9.093 3.306 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.525 6.587 4.022 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -5.137 7.790 5.236 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.501 10.195 4.136 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -7.148 10.391 3.528 1.00 0.00 H new ATOM 1573 N GLY A 100 -4.065 8.992 0.210 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.508 9.919 -0.756 1.00 0.00 C ATOM 1575 C GLY A 100 -2.980 9.214 -1.989 1.00 0.00 C ATOM 1576 O GLY A 100 -2.811 7.994 -1.988 1.00 0.00 O ATOM 0 H GLY A 100 -5.081 8.906 0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.273 10.637 -1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.701 10.485 -0.290 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.721 9.978 -3.044 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.211 9.409 -4.286 1.00 0.00 C ATOM 1582 C ASP A 101 -0.808 8.840 -4.090 1.00 0.00 C ATOM 1583 O ASP A 101 0.184 9.566 -4.155 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.198 10.467 -5.391 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.347 11.669 -5.031 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -1.870 12.589 -4.367 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -0.158 11.692 -5.413 1.00 0.00 O ATOM 0 H ASP A 101 -2.855 10.989 -3.065 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.874 8.596 -4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.822 10.022 -6.312 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.219 10.794 -5.589 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.736 7.534 -3.853 1.00 0.00 N ATOM 1593 CA GLN A 102 0.538 6.858 -3.650 1.00 0.00 C ATOM 1594 C GLN A 102 0.872 5.951 -4.831 1.00 0.00 C ATOM 1595 O GLN A 102 1.863 5.227 -4.802 1.00 0.00 O ATOM 1596 CB GLN A 102 0.500 6.033 -2.359 1.00 0.00 C ATOM 1597 CG GLN A 102 1.216 6.690 -1.189 1.00 0.00 C ATOM 1598 CD GLN A 102 0.902 8.169 -1.064 1.00 0.00 C ATOM 1599 OE1 GLN A 102 1.778 8.977 -0.758 1.00 0.00 O ATOM 1600 NE2 GLN A 102 -0.353 8.528 -1.306 1.00 0.00 N ATOM 0 H GLN A 102 -1.550 6.921 -3.797 1.00 0.00 H new ATOM 0 HA GLN A 102 1.314 7.620 -3.569 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.539 5.855 -2.083 1.00 0.00 H new ATOM 0 HB3 GLN A 102 0.951 5.059 -2.548 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.934 6.184 -0.266 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.292 6.560 -1.308 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.046 7.823 -1.557 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.624 9.509 -1.241 1.00 0.00 H new ATOM 1609 N ARG A 103 0.040 5.991 -5.870 1.00 0.00 N ATOM 1610 CA ARG A 103 0.258 5.166 -7.054 1.00 0.00 C ATOM 1611 C ARG A 103 1.705 5.259 -7.534 1.00 0.00 C ATOM 1612 O ARG A 103 2.227 4.327 -8.146 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.693 5.591 -8.175 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.492 7.026 -8.632 1.00 0.00 C ATOM 1615 CD ARG A 103 -1.639 7.497 -9.512 1.00 0.00 C ATOM 1616 NE ARG A 103 -1.276 7.498 -10.928 1.00 0.00 N ATOM 1617 CZ ARG A 103 -0.398 8.341 -11.467 1.00 0.00 C ATOM 1618 NH1 ARG A 103 0.205 9.253 -10.715 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -0.123 8.272 -12.762 1.00 0.00 N ATOM 0 H ARG A 103 -0.788 6.584 -5.915 1.00 0.00 H new ATOM 0 HA ARG A 103 0.056 4.130 -6.784 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.558 4.925 -9.027 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.721 5.468 -7.834 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.408 7.678 -7.762 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.446 7.106 -9.182 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.503 6.850 -9.359 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.937 8.502 -9.213 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.721 6.813 -11.539 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -0.003 9.311 -9.718 1.00 0.00 H new ATOM 0 HH12 ARG A 103 0.877 9.896 -11.134 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -0.584 7.573 -13.345 1.00 0.00 H new ATOM 0 HH22 ARG A 103 0.550 8.918 -13.176 1.00 0.00 H new ATOM 1633 N LYS A 104 2.347 6.389 -7.251 1.00 0.00 N ATOM 1634 CA LYS A 104 3.732 6.601 -7.653 1.00 0.00 C ATOM 1635 C LYS A 104 4.696 6.219 -6.532 1.00 0.00 C ATOM 1636 O LYS A 104 5.846 5.862 -6.787 1.00 0.00 O ATOM 1637 CB LYS A 104 3.950 8.063 -8.051 1.00 0.00 C ATOM 1638 CG LYS A 104 3.144 8.488 -9.267 1.00 0.00 C ATOM 1639 CD LYS A 104 3.454 7.617 -10.475 1.00 0.00 C ATOM 1640 CE LYS A 104 4.925 7.683 -10.848 1.00 0.00 C ATOM 1641 NZ LYS A 104 5.188 7.081 -12.184 1.00 0.00 N ATOM 0 H LYS A 104 1.930 7.171 -6.745 1.00 0.00 H new ATOM 0 HA LYS A 104 3.934 5.961 -8.512 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.687 8.703 -7.209 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.009 8.222 -8.254 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.080 8.429 -9.038 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.362 9.530 -9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.178 6.585 -10.260 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.848 7.939 -11.322 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.253 8.722 -10.848 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.514 7.162 -10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.203 7.146 -12.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.899 6.082 -12.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.646 7.594 -12.909 1.00 0.00 H new ATOM 1655 N ASN A 105 4.223 6.296 -5.291 1.00 0.00 N ATOM 1656 CA ASN A 105 5.052 5.958 -4.136 1.00 0.00 C ATOM 1657 C ASN A 105 4.985 4.465 -3.836 1.00 0.00 C ATOM 1658 O ASN A 105 5.997 3.841 -3.520 1.00 0.00 O ATOM 1659 CB ASN A 105 4.607 6.756 -2.909 1.00 0.00 C ATOM 1660 CG ASN A 105 5.328 8.084 -2.793 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.545 8.130 -2.618 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.577 9.176 -2.889 1.00 0.00 N ATOM 0 H ASN A 105 3.274 6.588 -5.059 1.00 0.00 H new ATOM 0 HA ASN A 105 6.084 6.217 -4.374 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.533 6.932 -2.963 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.789 6.167 -2.010 1.00 0.00 H new ATOM 0 HD21 ASN A 105 5.007 10.098 -2.818 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.571 9.092 -3.034 1.00 0.00 H new ATOM 1669 N ILE A 106 3.788 3.895 -3.936 1.00 0.00 N ATOM 1670 CA ILE A 106 3.600 2.476 -3.673 1.00 0.00 C ATOM 1671 C ILE A 106 4.440 1.631 -4.625 1.00 0.00 C ATOM 1672 O ILE A 106 5.186 0.754 -4.189 1.00 0.00 O ATOM 1673 CB ILE A 106 2.117 2.068 -3.768 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.926 0.645 -3.245 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.609 2.188 -5.198 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.448 0.440 -1.837 1.00 0.00 C ATOM 0 H ILE A 106 2.937 4.394 -4.197 1.00 0.00 H new ATOM 0 HA ILE A 106 3.933 2.292 -2.652 1.00 0.00 H new ATOM 0 HB ILE A 106 1.534 2.749 -3.148 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.865 0.397 -3.270 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.431 -0.050 -3.915 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.560 1.894 -5.237 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.710 3.220 -5.535 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.193 1.536 -5.848 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.278 -0.593 -1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.516 0.655 -1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.925 1.110 -1.154 1.00 0.00 H new ATOM 1688 N CYS A 107 4.348 1.917 -5.923 1.00 0.00 N ATOM 1689 CA CYS A 107 5.143 1.194 -6.910 1.00 0.00 C ATOM 1690 C CYS A 107 6.615 1.348 -6.563 1.00 0.00 C ATOM 1691 O CYS A 107 7.420 0.436 -6.749 1.00 0.00 O ATOM 1692 CB CYS A 107 4.878 1.735 -8.317 1.00 0.00 C ATOM 1693 SG CYS A 107 3.244 1.329 -8.970 1.00 0.00 S ATOM 0 H CYS A 107 3.738 2.636 -6.311 1.00 0.00 H new ATOM 0 HA CYS A 107 4.865 0.140 -6.894 1.00 0.00 H new ATOM 0 HB2 CYS A 107 4.993 2.819 -8.305 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.636 1.341 -8.994 1.00 0.00 H new ATOM 0 HG CYS A 107 2.452 2.349 -8.823 1.00 0.00 H new ATOM 1699 N GLN A 108 6.938 2.518 -6.026 1.00 0.00 N ATOM 1700 CA GLN A 108 8.291 2.836 -5.603 1.00 0.00 C ATOM 1701 C GLN A 108 8.626 2.054 -4.335 1.00 0.00 C ATOM 1702 O GLN A 108 9.772 1.662 -4.117 1.00 0.00 O ATOM 1703 CB GLN A 108 8.403 4.354 -5.377 1.00 0.00 C ATOM 1704 CG GLN A 108 9.492 4.786 -4.405 1.00 0.00 C ATOM 1705 CD GLN A 108 10.798 5.117 -5.102 1.00 0.00 C ATOM 1706 OE1 GLN A 108 11.072 6.276 -5.413 1.00 0.00 O ATOM 1707 NE2 GLN A 108 11.612 4.097 -5.351 1.00 0.00 N ATOM 0 H GLN A 108 6.268 3.271 -5.873 1.00 0.00 H new ATOM 0 HA GLN A 108 9.008 2.549 -6.373 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.584 4.836 -6.338 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.445 4.722 -5.011 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.151 5.658 -3.847 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.663 3.991 -3.680 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.344 3.152 -5.076 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.504 4.259 -5.818 1.00 0.00 H new ATOM 1716 N PHE A 109 7.607 1.823 -3.513 1.00 0.00 N ATOM 1717 CA PHE A 109 7.769 1.078 -2.271 1.00 0.00 C ATOM 1718 C PHE A 109 7.929 -0.408 -2.559 1.00 0.00 C ATOM 1719 O PHE A 109 8.797 -1.074 -1.996 1.00 0.00 O ATOM 1720 CB PHE A 109 6.554 1.298 -1.368 1.00 0.00 C ATOM 1721 CG PHE A 109 6.617 0.541 -0.074 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.523 0.900 0.908 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.768 -0.530 0.162 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.584 0.208 2.101 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.823 -1.226 1.353 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.733 -0.856 2.325 1.00 0.00 C ATOM 0 H PHE A 109 6.655 2.144 -3.687 1.00 0.00 H new ATOM 0 HA PHE A 109 8.665 1.438 -1.766 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.462 2.362 -1.152 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.654 1.003 -1.907 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.191 1.732 0.739 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.055 -0.823 -0.595 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.297 0.499 2.859 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.156 -2.058 1.525 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.778 -1.398 3.258 1.00 0.00 H new ATOM 1736 N LEU A 110 7.080 -0.918 -3.445 1.00 0.00 N ATOM 1737 CA LEU A 110 7.109 -2.326 -3.821 1.00 0.00 C ATOM 1738 C LEU A 110 8.476 -2.711 -4.377 1.00 0.00 C ATOM 1739 O LEU A 110 8.906 -3.858 -4.258 1.00 0.00 O ATOM 1740 CB LEU A 110 6.019 -2.613 -4.858 1.00 0.00 C ATOM 1741 CG LEU A 110 4.656 -3.014 -4.283 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.307 -2.165 -3.069 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.576 -2.887 -5.345 1.00 0.00 C ATOM 0 H LEU A 110 6.359 -0.373 -3.918 1.00 0.00 H new ATOM 0 HA LEU A 110 6.922 -2.925 -2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.887 -1.725 -5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.367 -3.411 -5.515 1.00 0.00 H new ATOM 0 HG LEU A 110 4.714 -4.055 -3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.335 -2.469 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.066 -2.302 -2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.269 -1.115 -3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.614 -3.175 -4.922 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.526 -1.855 -5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.813 -3.540 -6.185 1.00 0.00 H new ATOM 1755 N VAL A 111 9.153 -1.745 -4.985 1.00 0.00 N ATOM 1756 CA VAL A 111 10.470 -1.981 -5.559 1.00 0.00 C ATOM 1757 C VAL A 111 11.573 -1.651 -4.557 1.00 0.00 C ATOM 1758 O VAL A 111 12.658 -2.229 -4.600 1.00 0.00 O ATOM 1759 CB VAL A 111 10.679 -1.146 -6.838 1.00 0.00 C ATOM 1760 CG1 VAL A 111 12.039 -1.437 -7.457 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.561 -1.411 -7.838 1.00 0.00 C ATOM 0 H VAL A 111 8.811 -0.790 -5.093 1.00 0.00 H new ATOM 0 HA VAL A 111 10.523 -3.040 -5.813 1.00 0.00 H new ATOM 0 HB VAL A 111 10.651 -0.091 -6.566 1.00 0.00 H new ATOM 0 HG11 VAL A 111 12.165 -0.837 -8.358 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.824 -1.189 -6.743 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.103 -2.494 -7.714 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.725 -0.813 -8.734 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.553 -2.468 -8.103 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.603 -1.142 -7.393 1.00 0.00 H new ATOM 1771 N GLU A 112 11.288 -0.716 -3.655 1.00 0.00 N ATOM 1772 CA GLU A 112 12.256 -0.310 -2.642 1.00 0.00 C ATOM 1773 C GLU A 112 12.436 -1.400 -1.590 1.00 0.00 C ATOM 1774 O GLU A 112 13.556 -1.699 -1.175 1.00 0.00 O ATOM 1775 CB GLU A 112 11.809 0.990 -1.970 1.00 0.00 C ATOM 1776 CG GLU A 112 12.081 2.231 -2.803 1.00 0.00 C ATOM 1777 CD GLU A 112 13.295 3.002 -2.322 1.00 0.00 C ATOM 1778 OE1 GLU A 112 14.319 2.361 -2.008 1.00 0.00 O ATOM 1779 OE2 GLU A 112 13.221 4.247 -2.261 1.00 0.00 O ATOM 0 H GLU A 112 10.395 -0.226 -3.605 1.00 0.00 H new ATOM 0 HA GLU A 112 13.213 -0.146 -3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.741 0.931 -1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.319 1.087 -1.011 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.228 1.941 -3.843 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.207 2.882 -2.774 1.00 0.00 H new ATOM 1786 N ILE A 113 11.325 -1.987 -1.160 1.00 0.00 N ATOM 1787 CA ILE A 113 11.357 -3.042 -0.153 1.00 0.00 C ATOM 1788 C ILE A 113 11.548 -4.415 -0.793 1.00 0.00 C ATOM 1789 O ILE A 113 12.033 -5.347 -0.152 1.00 0.00 O ATOM 1790 CB ILE A 113 10.061 -3.051 0.689 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.889 -3.614 -0.126 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.745 -1.647 1.182 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.558 -3.550 0.594 1.00 0.00 C ATOM 0 H ILE A 113 10.390 -1.750 -1.493 1.00 0.00 H new ATOM 0 HA ILE A 113 12.205 -2.832 0.498 1.00 0.00 H new ATOM 0 HB ILE A 113 10.214 -3.697 1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.812 -3.062 -1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 113 9.103 -4.651 -0.384 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.830 -1.667 1.774 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.568 -1.284 1.798 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.611 -0.983 0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.779 -3.966 -0.045 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.616 -4.126 1.518 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.320 -2.512 0.828 1.00 0.00 H new ATOM 1805 N GLY A 114 11.151 -4.534 -2.055 1.00 0.00 N ATOM 1806 CA GLY A 114 11.273 -5.799 -2.754 1.00 0.00 C ATOM 1807 C GLY A 114 9.982 -6.591 -2.713 1.00 0.00 C ATOM 1808 O GLY A 114 9.996 -7.822 -2.727 1.00 0.00 O ATOM 0 H GLY A 114 10.747 -3.777 -2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.554 -5.616 -3.791 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.074 -6.386 -2.306 1.00 0.00 H new ATOM 1812 N LEU A 115 8.864 -5.876 -2.657 1.00 0.00 N ATOM 1813 CA LEU A 115 7.549 -6.504 -2.606 1.00 0.00 C ATOM 1814 C LEU A 115 7.114 -6.967 -3.992 1.00 0.00 C ATOM 1815 O LEU A 115 7.089 -8.163 -4.279 1.00 0.00 O ATOM 1816 CB LEU A 115 6.522 -5.523 -2.031 1.00 0.00 C ATOM 1817 CG LEU A 115 5.579 -6.101 -0.973 1.00 0.00 C ATOM 1818 CD1 LEU A 115 6.359 -6.886 0.072 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.775 -4.992 -0.314 1.00 0.00 C ATOM 0 H LEU A 115 8.842 -4.856 -2.646 1.00 0.00 H new ATOM 0 HA LEU A 115 7.610 -7.378 -1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.056 -4.679 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.922 -5.130 -2.852 1.00 0.00 H new ATOM 0 HG LEU A 115 4.887 -6.783 -1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.670 -7.288 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.891 -7.706 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 115 7.076 -6.227 0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.110 -5.421 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.453 -4.286 0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.184 -4.473 -1.069 1.00 0.00 H new ATOM 1831 N ALA A 116 6.778 -6.011 -4.850 1.00 0.00 N ATOM 1832 CA ALA A 116 6.352 -6.320 -6.207 1.00 0.00 C ATOM 1833 C ALA A 116 7.539 -6.297 -7.163 1.00 0.00 C ATOM 1834 O ALA A 116 8.692 -6.313 -6.734 1.00 0.00 O ATOM 1835 CB ALA A 116 5.281 -5.337 -6.661 1.00 0.00 C ATOM 0 H ALA A 116 6.793 -5.015 -4.629 1.00 0.00 H new ATOM 0 HA ALA A 116 5.928 -7.324 -6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.972 -5.580 -7.678 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.421 -5.402 -5.995 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.683 -4.324 -6.636 1.00 0.00 H new ATOM 1841 N LYS A 117 7.253 -6.254 -8.460 1.00 0.00 N ATOM 1842 CA LYS A 117 8.304 -6.224 -9.471 1.00 0.00 C ATOM 1843 C LYS A 117 7.870 -5.395 -10.673 1.00 0.00 C ATOM 1844 O LYS A 117 6.678 -5.265 -10.949 1.00 0.00 O ATOM 1845 CB LYS A 117 8.655 -7.646 -9.915 1.00 0.00 C ATOM 1846 CG LYS A 117 9.716 -8.309 -9.051 1.00 0.00 C ATOM 1847 CD LYS A 117 10.929 -8.723 -9.870 1.00 0.00 C ATOM 1848 CE LYS A 117 11.639 -7.516 -10.463 1.00 0.00 C ATOM 1849 NZ LYS A 117 13.118 -7.687 -10.464 1.00 0.00 N ATOM 0 H LYS A 117 6.305 -6.239 -8.835 1.00 0.00 H new ATOM 0 HA LYS A 117 9.188 -5.762 -9.031 1.00 0.00 H new ATOM 0 HB2 LYS A 117 7.752 -8.256 -9.899 1.00 0.00 H new ATOM 0 HB3 LYS A 117 9.003 -7.620 -10.947 1.00 0.00 H new ATOM 0 HG2 LYS A 117 10.026 -7.622 -8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 117 9.291 -9.185 -8.561 1.00 0.00 H new ATOM 0 HD2 LYS A 117 11.622 -9.281 -9.240 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.617 -9.393 -10.671 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.291 -7.356 -11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 117 11.377 -6.625 -9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 13.565 -6.843 -10.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 13.453 -7.815 -9.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 13.370 -8.523 -11.029 1.00 0.00 H new ATOM 1863 N ASP A 118 8.841 -4.836 -11.390 1.00 0.00 N ATOM 1864 CA ASP A 118 8.545 -4.024 -12.564 1.00 0.00 C ATOM 1865 C ASP A 118 7.700 -4.808 -13.563 1.00 0.00 C ATOM 1866 O ASP A 118 6.965 -4.226 -14.361 1.00 0.00 O ATOM 1867 CB ASP A 118 9.839 -3.534 -13.217 1.00 0.00 C ATOM 1868 CG ASP A 118 9.598 -2.814 -14.531 1.00 0.00 C ATOM 1869 OD1 ASP A 118 8.584 -2.094 -14.635 1.00 0.00 O ATOM 1870 OD2 ASP A 118 10.424 -2.971 -15.454 1.00 0.00 O ATOM 0 H ASP A 118 9.835 -4.930 -11.179 1.00 0.00 H new ATOM 0 HA ASP A 118 7.972 -3.154 -12.244 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.356 -2.864 -12.530 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.498 -4.385 -13.390 1.00 0.00 H new ATOM 1875 N ASP A 119 7.790 -6.132 -13.498 1.00 0.00 N ATOM 1876 CA ASP A 119 7.016 -6.990 -14.380 1.00 0.00 C ATOM 1877 C ASP A 119 5.573 -7.065 -13.893 1.00 0.00 C ATOM 1878 O ASP A 119 4.662 -7.383 -14.656 1.00 0.00 O ATOM 1879 CB ASP A 119 7.625 -8.392 -14.435 1.00 0.00 C ATOM 1880 CG ASP A 119 9.086 -8.371 -14.844 1.00 0.00 C ATOM 1881 OD1 ASP A 119 9.398 -7.773 -15.896 1.00 0.00 O ATOM 1882 OD2 ASP A 119 9.916 -8.951 -14.115 1.00 0.00 O ATOM 0 H ASP A 119 8.392 -6.632 -12.843 1.00 0.00 H new ATOM 0 HA ASP A 119 7.034 -6.566 -15.384 1.00 0.00 H new ATOM 0 HB2 ASP A 119 7.531 -8.865 -13.458 1.00 0.00 H new ATOM 0 HB3 ASP A 119 7.062 -9.003 -15.140 1.00 0.00 H new ATOM 1887 N GLN A 120 5.377 -6.761 -12.611 1.00 0.00 N ATOM 1888 CA GLN A 120 4.051 -6.782 -12.010 1.00 0.00 C ATOM 1889 C GLN A 120 3.537 -5.367 -11.762 1.00 0.00 C ATOM 1890 O GLN A 120 2.366 -5.170 -11.437 1.00 0.00 O ATOM 1891 CB GLN A 120 4.079 -7.546 -10.690 1.00 0.00 C ATOM 1892 CG GLN A 120 4.844 -8.855 -10.754 1.00 0.00 C ATOM 1893 CD GLN A 120 4.668 -9.687 -9.498 1.00 0.00 C ATOM 1894 OE1 GLN A 120 4.581 -10.914 -9.559 1.00 0.00 O ATOM 1895 NE2 GLN A 120 4.614 -9.021 -8.348 1.00 0.00 N ATOM 0 H GLN A 120 6.125 -6.497 -11.969 1.00 0.00 H new ATOM 0 HA GLN A 120 3.379 -7.282 -12.708 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.526 -6.912 -9.924 1.00 0.00 H new ATOM 0 HB3 GLN A 120 3.055 -7.750 -10.377 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.506 -9.429 -11.617 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.903 -8.647 -10.904 1.00 0.00 H new ATOM 0 HE21 GLN A 120 4.690 -8.004 -8.344 1.00 0.00 H new ATOM 0 HE22 GLN A 120 4.496 -9.527 -7.470 1.00 0.00 H new ATOM 1904 N LEU A 121 4.424 -4.385 -11.903 1.00 0.00 N ATOM 1905 CA LEU A 121 4.067 -2.986 -11.683 1.00 0.00 C ATOM 1906 C LEU A 121 2.818 -2.608 -12.471 1.00 0.00 C ATOM 1907 O LEU A 121 2.899 -2.227 -13.639 1.00 0.00 O ATOM 1908 CB LEU A 121 5.230 -2.071 -12.074 1.00 0.00 C ATOM 1909 CG LEU A 121 6.261 -1.832 -10.968 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.389 -0.935 -11.466 1.00 0.00 C ATOM 1911 CD2 LEU A 121 5.593 -1.224 -9.743 1.00 0.00 C ATOM 0 H LEU A 121 5.397 -4.533 -12.169 1.00 0.00 H new ATOM 0 HA LEU A 121 3.854 -2.857 -10.622 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.738 -2.501 -12.937 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.826 -1.109 -12.389 1.00 0.00 H new ATOM 0 HG LEU A 121 6.692 -2.793 -10.686 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.110 -0.778 -10.664 1.00 0.00 H new ATOM 0 HD12 LEU A 121 7.885 -1.410 -12.312 1.00 0.00 H new ATOM 0 HD13 LEU A 121 6.979 0.026 -11.778 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.339 -1.060 -8.965 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.135 -0.272 -10.013 1.00 0.00 H new ATOM 0 HD23 LEU A 121 4.826 -1.904 -9.372 1.00 0.00 H new ATOM 1923 N LYS A 122 1.665 -2.719 -11.823 1.00 0.00 N ATOM 1924 CA LYS A 122 0.399 -2.392 -12.461 1.00 0.00 C ATOM 1925 C LYS A 122 -0.225 -1.151 -11.829 1.00 0.00 C ATOM 1926 O LYS A 122 -1.124 -1.253 -10.993 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.563 -3.574 -12.362 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.582 -4.440 -13.610 1.00 0.00 C ATOM 1929 CD LYS A 122 -1.181 -3.699 -14.794 1.00 0.00 C ATOM 1930 CE LYS A 122 -0.506 -4.093 -16.098 1.00 0.00 C ATOM 1931 NZ LYS A 122 -1.443 -4.019 -17.253 1.00 0.00 N ATOM 0 H LYS A 122 1.582 -3.033 -10.856 1.00 0.00 H new ATOM 0 HA LYS A 122 0.592 -2.179 -13.512 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.285 -4.189 -11.506 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.569 -3.200 -12.173 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.434 -4.754 -13.852 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.158 -5.345 -13.417 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -2.248 -3.913 -14.856 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.080 -2.625 -14.641 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.345 -3.437 -16.279 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.115 -5.107 -16.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.944 -4.295 -18.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -2.243 -4.664 -17.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -1.797 -3.046 -17.351 1.00 0.00 H new ATOM 1945 N VAL A 123 0.258 0.019 -12.234 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.251 1.280 -11.709 1.00 0.00 C ATOM 1947 C VAL A 123 -1.379 1.819 -12.584 1.00 0.00 C ATOM 1948 O VAL A 123 -1.159 2.181 -13.740 1.00 0.00 O ATOM 1949 CB VAL A 123 0.866 2.337 -11.609 1.00 0.00 C ATOM 1950 CG1 VAL A 123 1.422 2.671 -12.986 1.00 0.00 C ATOM 1951 CG2 VAL A 123 0.356 3.590 -10.913 1.00 0.00 C ATOM 0 H VAL A 123 1.002 0.120 -12.925 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.636 1.080 -10.709 1.00 0.00 H new ATOM 0 HB VAL A 123 1.677 1.920 -11.011 1.00 0.00 H new ATOM 0 HG11 VAL A 123 2.209 3.419 -12.889 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.832 1.770 -13.441 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.623 3.064 -13.615 1.00 0.00 H new ATOM 0 HG21 VAL A 123 1.159 4.325 -10.852 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.476 4.008 -11.480 1.00 0.00 H new ATOM 0 HG23 VAL A 123 0.019 3.336 -9.908 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.588 1.864 -12.033 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.741 2.354 -12.778 1.00 0.00 C ATOM 1963 C HIS A 124 -4.285 3.644 -12.176 1.00 0.00 C ATOM 1964 O HIS A 124 -4.901 4.451 -12.872 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.833 1.285 -12.811 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.336 -0.044 -13.285 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.572 -0.526 -14.555 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.597 -0.988 -12.657 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -4.001 -1.708 -14.688 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -3.402 -2.014 -13.551 1.00 0.00 N ATOM 0 H HIS A 124 -2.794 1.569 -11.079 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.418 2.572 -13.796 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.255 1.174 -11.812 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.640 1.618 -13.463 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -5.105 -0.044 -15.279 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.229 -0.944 -11.643 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -4.020 -2.322 -15.576 1.00 0.00 H new ATOM 1979 N GLY A 125 -4.058 3.836 -10.880 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.536 5.034 -10.215 1.00 0.00 C ATOM 1981 C GLY A 125 -6.013 5.280 -10.457 1.00 0.00 C ATOM 1982 O GLY A 125 -6.862 4.558 -9.936 1.00 0.00 O ATOM 0 H GLY A 125 -3.552 3.184 -10.280 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.356 4.948 -9.143 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.965 5.894 -10.566 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.318 6.299 -11.251 1.00 0.00 N ATOM 1987 CA PHE A 126 -7.703 6.634 -11.561 1.00 0.00 C ATOM 1988 C PHE A 126 -7.776 7.785 -12.561 1.00 0.00 C ATOM 1989 O PHE A 126 -6.777 8.525 -12.685 1.00 0.00 O ATOM 1990 CB PHE A 126 -8.462 6.994 -10.277 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.169 8.376 -9.757 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -6.885 8.895 -9.801 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -9.185 9.156 -9.228 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -6.619 10.165 -9.327 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -8.925 10.428 -8.753 1.00 0.00 C ATOM 1996 CZ PHE A 126 -7.640 10.933 -8.804 1.00 0.00 C ATOM 1997 OXT PHE A 126 -8.831 7.936 -13.213 1.00 0.00 O ATOM 0 H PHE A 126 -5.627 6.907 -11.691 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.172 5.761 -12.015 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -9.532 6.907 -10.464 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -8.213 6.266 -9.504 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -6.083 8.300 -10.211 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -10.191 8.766 -9.186 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -5.613 10.557 -9.366 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -9.725 11.026 -8.343 1.00 0.00 H new ATOM 0 HZ PHE A 126 -7.435 11.927 -8.435 1.00 0.00 H new