USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 374 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 687 SER OG : rot 56:sc= 0.87 USER MOD Single : A 689 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 699 SER OG : rot 73:sc= 0.845 USER MOD Single : A 701 MET CE :methyl 163:sc= -0.0125 (180deg=-0.341) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 THR OG1 : rot 75:sc= 0.462 USER MOD Single : A 722 HIS : no HE2:sc= 0.746 K(o=0.75,f=-7.4!) USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 685 18.691 -8.572 -26.889 1.00 1.00 N ATOM 2 CA PRO A 685 20.083 -8.184 -26.555 1.00 1.00 C ATOM 3 C PRO A 685 20.997 -8.492 -27.734 1.00 1.00 C ATOM 4 O PRO A 685 21.645 -7.598 -28.281 1.00 1.00 O ATOM 5 CB PRO A 685 20.525 -8.973 -25.330 1.00 1.00 C ATOM 6 CG PRO A 685 19.297 -9.681 -24.848 1.00 1.00 C ATOM 7 CD PRO A 685 18.270 -9.684 -25.996 1.00 1.00 C ATOM 0 HA PRO A 685 20.135 -7.116 -26.343 1.00 1.00 H new ATOM 0 HB2 PRO A 685 21.313 -9.682 -25.583 1.00 1.00 H new ATOM 0 HB3 PRO A 685 20.925 -8.313 -24.561 1.00 1.00 H new ATOM 0 HG2 PRO A 685 19.538 -10.701 -24.549 1.00 1.00 H new ATOM 0 HG3 PRO A 685 18.887 -9.180 -23.971 1.00 1.00 H new ATOM 0 HD2 PRO A 685 18.271 -10.637 -26.525 1.00 1.00 H new ATOM 0 HD3 PRO A 685 17.258 -9.528 -25.621 1.00 1.00 H new ATOM 17 N GLU A 686 21.048 -9.763 -28.116 1.00 1.00 N ATOM 18 CA GLU A 686 21.892 -10.181 -29.228 1.00 1.00 C ATOM 19 C GLU A 686 23.338 -9.781 -28.969 1.00 1.00 C ATOM 20 O GLU A 686 23.829 -8.792 -29.515 1.00 1.00 O ATOM 21 CB GLU A 686 21.398 -9.544 -30.530 1.00 1.00 C ATOM 22 CG GLU A 686 22.235 -10.056 -31.708 1.00 1.00 C ATOM 23 CD GLU A 686 21.714 -9.465 -33.014 1.00 1.00 C ATOM 24 OE1 GLU A 686 20.657 -8.858 -32.986 1.00 1.00 O ATOM 25 OE2 GLU A 686 22.376 -9.640 -34.024 1.00 1.00 O ATOM 0 H GLU A 686 20.519 -10.516 -27.676 1.00 1.00 H new ATOM 0 HA GLU A 686 21.838 -11.266 -29.321 1.00 1.00 H new ATOM 0 HB2 GLU A 686 20.347 -9.784 -30.687 1.00 1.00 H new ATOM 0 HB3 GLU A 686 21.470 -8.458 -30.465 1.00 1.00 H new ATOM 0 HG2 GLU A 686 23.281 -9.783 -31.567 1.00 1.00 H new ATOM 0 HG3 GLU A 686 22.192 -11.144 -31.749 1.00 1.00 H new ATOM 32 N SER A 687 24.011 -10.551 -28.124 1.00 1.00 N ATOM 33 CA SER A 687 25.401 -10.274 -27.789 1.00 1.00 C ATOM 34 C SER A 687 25.976 -11.412 -26.949 1.00 1.00 C ATOM 35 O SER A 687 26.085 -11.298 -25.729 1.00 1.00 O ATOM 36 CB SER A 687 25.498 -8.963 -27.007 1.00 1.00 C ATOM 37 OG SER A 687 24.727 -9.063 -25.816 1.00 1.00 O ATOM 0 H SER A 687 23.618 -11.370 -27.659 1.00 1.00 H new ATOM 0 HA SER A 687 25.973 -10.187 -28.713 1.00 1.00 H new ATOM 0 HB2 SER A 687 26.538 -8.749 -26.762 1.00 1.00 H new ATOM 0 HB3 SER A 687 25.138 -8.135 -27.618 1.00 1.00 H new ATOM 0 HG SER A 687 25.028 -9.837 -25.295 1.00 1.00 H new ATOM 43 N PRO A 688 26.339 -12.503 -27.577 1.00 1.00 N ATOM 44 CA PRO A 688 26.907 -13.684 -26.866 1.00 1.00 C ATOM 45 C PRO A 688 28.109 -13.288 -26.016 1.00 1.00 C ATOM 46 O PRO A 688 28.309 -13.805 -24.918 1.00 1.00 O ATOM 47 CB PRO A 688 27.329 -14.635 -27.991 1.00 1.00 C ATOM 48 CG PRO A 688 26.556 -14.214 -29.196 1.00 1.00 C ATOM 49 CD PRO A 688 26.250 -12.725 -29.028 1.00 1.00 C ATOM 0 HA PRO A 688 26.191 -14.136 -26.180 1.00 1.00 H new ATOM 0 HB2 PRO A 688 28.402 -14.572 -28.174 1.00 1.00 H new ATOM 0 HB3 PRO A 688 27.111 -15.670 -27.729 1.00 1.00 H new ATOM 0 HG2 PRO A 688 27.131 -14.390 -30.105 1.00 1.00 H new ATOM 0 HG3 PRO A 688 25.635 -14.790 -29.285 1.00 1.00 H new ATOM 0 HD2 PRO A 688 26.966 -12.107 -29.571 1.00 1.00 H new ATOM 0 HD3 PRO A 688 25.260 -12.476 -29.410 1.00 1.00 H new ATOM 57 N LYS A 689 28.902 -12.363 -26.543 1.00 1.00 N ATOM 58 CA LYS A 689 30.089 -11.887 -25.843 1.00 1.00 C ATOM 59 C LYS A 689 29.707 -11.198 -24.532 1.00 1.00 C ATOM 60 O LYS A 689 30.347 -11.409 -23.502 1.00 1.00 O ATOM 61 CB LYS A 689 30.844 -10.902 -26.737 1.00 1.00 C ATOM 62 CG LYS A 689 31.404 -11.641 -27.955 1.00 1.00 C ATOM 63 CD LYS A 689 32.109 -10.643 -28.875 1.00 1.00 C ATOM 64 CE LYS A 689 32.681 -11.378 -30.089 1.00 1.00 C ATOM 65 NZ LYS A 689 33.273 -10.391 -31.033 1.00 1.00 N ATOM 0 H LYS A 689 28.745 -11.928 -27.452 1.00 1.00 H new ATOM 0 HA LYS A 689 30.724 -12.742 -25.612 1.00 1.00 H new ATOM 0 HB2 LYS A 689 30.177 -10.102 -27.059 1.00 1.00 H new ATOM 0 HB3 LYS A 689 31.655 -10.435 -26.178 1.00 1.00 H new ATOM 0 HG2 LYS A 689 32.103 -12.414 -27.635 1.00 1.00 H new ATOM 0 HG3 LYS A 689 30.599 -12.142 -28.492 1.00 1.00 H new ATOM 0 HD2 LYS A 689 31.408 -9.875 -29.200 1.00 1.00 H new ATOM 0 HD3 LYS A 689 32.908 -10.137 -28.334 1.00 1.00 H new ATOM 0 HE2 LYS A 689 33.440 -12.093 -29.770 1.00 1.00 H new ATOM 0 HE3 LYS A 689 31.896 -11.947 -30.586 1.00 1.00 H new ATOM 0 HZ1 LYS A 689 33.662 -10.890 -31.858 1.00 1.00 H new ATOM 0 HZ2 LYS A 689 32.538 -9.725 -31.346 1.00 1.00 H new ATOM 0 HZ3 LYS A 689 34.034 -9.867 -30.555 1.00 1.00 H new ATOM 79 N GLY A 690 28.662 -10.373 -24.579 1.00 1.00 N ATOM 80 CA GLY A 690 28.200 -9.657 -23.390 1.00 1.00 C ATOM 81 C GLY A 690 29.354 -8.943 -22.689 1.00 1.00 C ATOM 82 O GLY A 690 30.450 -8.825 -23.238 1.00 1.00 O ATOM 0 H GLY A 690 28.121 -10.184 -25.423 1.00 1.00 H new ATOM 0 HA2 GLY A 690 27.438 -8.930 -23.673 1.00 1.00 H new ATOM 0 HA3 GLY A 690 27.731 -10.358 -22.700 1.00 1.00 H new ATOM 86 N PRO A 691 29.123 -8.462 -21.492 1.00 1.00 N ATOM 87 CA PRO A 691 30.161 -7.740 -20.696 1.00 1.00 C ATOM 88 C PRO A 691 31.350 -8.634 -20.369 1.00 1.00 C ATOM 89 O PRO A 691 31.195 -9.836 -20.155 1.00 1.00 O ATOM 90 CB PRO A 691 29.440 -7.324 -19.408 1.00 1.00 C ATOM 91 CG PRO A 691 27.981 -7.495 -19.673 1.00 1.00 C ATOM 92 CD PRO A 691 27.850 -8.554 -20.766 1.00 1.00 C ATOM 0 HA PRO A 691 30.568 -6.893 -21.249 1.00 1.00 H new ATOM 0 HB2 PRO A 691 29.758 -7.941 -18.567 1.00 1.00 H new ATOM 0 HB3 PRO A 691 29.670 -6.290 -19.150 1.00 1.00 H new ATOM 0 HG2 PRO A 691 27.458 -7.807 -18.769 1.00 1.00 H new ATOM 0 HG3 PRO A 691 27.533 -6.554 -19.992 1.00 1.00 H new ATOM 0 HD2 PRO A 691 27.700 -9.548 -20.345 1.00 1.00 H new ATOM 0 HD3 PRO A 691 27.001 -8.353 -21.419 1.00 1.00 H new ATOM 100 N ASP A 692 32.536 -8.040 -20.328 1.00 1.00 N ATOM 101 CA ASP A 692 33.743 -8.796 -20.022 1.00 1.00 C ATOM 102 C ASP A 692 33.662 -9.378 -18.614 1.00 1.00 C ATOM 103 O ASP A 692 33.106 -8.759 -17.706 1.00 1.00 O ATOM 104 CB ASP A 692 34.974 -7.895 -20.136 1.00 1.00 C ATOM 105 CG ASP A 692 35.322 -7.661 -21.605 1.00 1.00 C ATOM 106 OD1 ASP A 692 34.781 -8.363 -22.444 1.00 1.00 O ATOM 107 OD2 ASP A 692 36.129 -6.784 -21.869 1.00 1.00 O ATOM 0 H ASP A 692 32.687 -7.046 -20.501 1.00 1.00 H new ATOM 0 HA ASP A 692 33.829 -9.612 -20.739 1.00 1.00 H new ATOM 0 HB2 ASP A 692 34.783 -6.942 -19.644 1.00 1.00 H new ATOM 0 HB3 ASP A 692 35.819 -8.355 -19.623 1.00 1.00 H new ATOM 112 N ILE A 693 34.248 -10.558 -18.433 1.00 1.00 N ATOM 113 CA ILE A 693 34.272 -11.202 -17.122 1.00 1.00 C ATOM 114 C ILE A 693 35.080 -10.322 -16.175 1.00 1.00 C ATOM 115 O ILE A 693 34.719 -10.138 -15.013 1.00 1.00 O ATOM 116 CB ILE A 693 34.920 -12.585 -17.219 1.00 1.00 C ATOM 117 CG1 ILE A 693 34.036 -13.499 -18.070 1.00 1.00 C ATOM 118 CG2 ILE A 693 35.052 -13.180 -15.815 1.00 1.00 C ATOM 119 CD1 ILE A 693 34.806 -14.775 -18.420 1.00 1.00 C ATOM 0 H ILE A 693 34.711 -11.086 -19.173 1.00 1.00 H new ATOM 0 HA ILE A 693 33.254 -11.326 -16.753 1.00 1.00 H new ATOM 0 HB ILE A 693 35.905 -12.496 -17.676 1.00 1.00 H new ATOM 0 HG12 ILE A 693 33.125 -13.749 -17.527 1.00 1.00 H new ATOM 0 HG13 ILE A 693 33.733 -12.983 -18.981 1.00 1.00 H new ATOM 0 HG21 ILE A 693 35.513 -14.166 -15.879 1.00 1.00 H new ATOM 0 HG22 ILE A 693 35.673 -12.528 -15.200 1.00 1.00 H new ATOM 0 HG23 ILE A 693 34.064 -13.271 -15.364 1.00 1.00 H new ATOM 0 HD11 ILE A 693 34.176 -15.426 -19.026 1.00 1.00 H new ATOM 0 HD12 ILE A 693 35.704 -14.516 -18.980 1.00 1.00 H new ATOM 0 HD13 ILE A 693 35.087 -15.293 -17.503 1.00 1.00 H new ATOM 131 N LEU A 694 36.190 -9.802 -16.688 1.00 1.00 N ATOM 132 CA LEU A 694 37.072 -8.962 -15.891 1.00 1.00 C ATOM 133 C LEU A 694 36.326 -7.731 -15.382 1.00 1.00 C ATOM 134 O LEU A 694 36.493 -7.330 -14.230 1.00 1.00 O ATOM 135 CB LEU A 694 38.285 -8.522 -16.728 1.00 1.00 C ATOM 136 CG LEU A 694 39.195 -9.721 -17.030 1.00 1.00 C ATOM 137 CD1 LEU A 694 40.290 -9.289 -18.006 1.00 1.00 C ATOM 138 CD2 LEU A 694 39.851 -10.233 -15.742 1.00 1.00 C ATOM 0 H LEU A 694 36.498 -9.948 -17.649 1.00 1.00 H new ATOM 0 HA LEU A 694 37.417 -9.543 -15.036 1.00 1.00 H new ATOM 0 HB2 LEU A 694 37.946 -8.071 -17.661 1.00 1.00 H new ATOM 0 HB3 LEU A 694 38.847 -7.758 -16.191 1.00 1.00 H new ATOM 0 HG LEU A 694 38.593 -10.518 -17.465 1.00 1.00 H new ATOM 0 HD11 LEU A 694 40.939 -10.137 -18.223 1.00 1.00 H new ATOM 0 HD12 LEU A 694 39.834 -8.934 -18.930 1.00 1.00 H new ATOM 0 HD13 LEU A 694 40.879 -8.487 -17.561 1.00 1.00 H new ATOM 0 HD21 LEU A 694 40.493 -11.083 -15.974 1.00 1.00 H new ATOM 0 HD22 LEU A 694 40.449 -9.438 -15.297 1.00 1.00 H new ATOM 0 HD23 LEU A 694 39.078 -10.543 -15.038 1.00 1.00 H new ATOM 150 N VAL A 695 35.494 -7.143 -16.237 1.00 1.00 N ATOM 151 CA VAL A 695 34.719 -5.964 -15.857 1.00 1.00 C ATOM 152 C VAL A 695 33.745 -6.299 -14.730 1.00 1.00 C ATOM 153 O VAL A 695 33.583 -5.529 -13.785 1.00 1.00 O ATOM 154 CB VAL A 695 33.949 -5.432 -17.067 1.00 1.00 C ATOM 155 CG1 VAL A 695 32.942 -4.373 -16.609 1.00 1.00 C ATOM 156 CG2 VAL A 695 34.936 -4.803 -18.054 1.00 1.00 C ATOM 0 H VAL A 695 35.339 -7.461 -17.194 1.00 1.00 H new ATOM 0 HA VAL A 695 35.409 -5.198 -15.504 1.00 1.00 H new ATOM 0 HB VAL A 695 33.417 -6.251 -17.550 1.00 1.00 H new ATOM 0 HG11 VAL A 695 32.394 -3.995 -17.472 1.00 1.00 H new ATOM 0 HG12 VAL A 695 32.242 -4.818 -15.902 1.00 1.00 H new ATOM 0 HG13 VAL A 695 33.472 -3.551 -16.127 1.00 1.00 H new ATOM 0 HG21 VAL A 695 34.393 -4.422 -18.919 1.00 1.00 H new ATOM 0 HG22 VAL A 695 35.465 -3.983 -17.567 1.00 1.00 H new ATOM 0 HG23 VAL A 695 35.654 -5.555 -18.379 1.00 1.00 H new ATOM 166 N VAL A 696 33.085 -7.446 -14.848 1.00 1.00 N ATOM 167 CA VAL A 696 32.107 -7.882 -13.855 1.00 1.00 C ATOM 168 C VAL A 696 32.767 -8.244 -12.527 1.00 1.00 C ATOM 169 O VAL A 696 32.260 -7.885 -11.463 1.00 1.00 O ATOM 170 CB VAL A 696 31.342 -9.096 -14.387 1.00 1.00 C ATOM 171 CG1 VAL A 696 30.410 -9.625 -13.296 1.00 1.00 C ATOM 172 CG2 VAL A 696 30.518 -8.691 -15.615 1.00 1.00 C ATOM 0 H VAL A 696 33.210 -8.094 -15.625 1.00 1.00 H new ATOM 0 HA VAL A 696 31.424 -7.052 -13.676 1.00 1.00 H new ATOM 0 HB VAL A 696 32.050 -9.874 -14.672 1.00 1.00 H new ATOM 0 HG11 VAL A 696 29.864 -10.490 -13.672 1.00 1.00 H new ATOM 0 HG12 VAL A 696 30.998 -9.917 -12.426 1.00 1.00 H new ATOM 0 HG13 VAL A 696 29.704 -8.845 -13.011 1.00 1.00 H new ATOM 0 HG21 VAL A 696 29.975 -9.558 -15.991 1.00 1.00 H new ATOM 0 HG22 VAL A 696 29.809 -7.911 -15.336 1.00 1.00 H new ATOM 0 HG23 VAL A 696 31.184 -8.315 -16.392 1.00 1.00 H new ATOM 182 N LEU A 697 33.893 -8.950 -12.588 1.00 1.00 N ATOM 183 CA LEU A 697 34.591 -9.338 -11.364 1.00 1.00 C ATOM 184 C LEU A 697 34.986 -8.086 -10.587 1.00 1.00 C ATOM 185 O LEU A 697 34.857 -8.038 -9.364 1.00 1.00 O ATOM 186 CB LEU A 697 35.846 -10.153 -11.714 1.00 1.00 C ATOM 187 CG LEU A 697 36.574 -10.589 -10.434 1.00 1.00 C ATOM 188 CD1 LEU A 697 35.661 -11.485 -9.591 1.00 1.00 C ATOM 189 CD2 LEU A 697 37.834 -11.371 -10.812 1.00 1.00 C ATOM 0 H LEU A 697 34.335 -9.260 -13.453 1.00 1.00 H new ATOM 0 HA LEU A 697 33.931 -9.951 -10.751 1.00 1.00 H new ATOM 0 HB2 LEU A 697 35.567 -11.030 -12.298 1.00 1.00 H new ATOM 0 HB3 LEU A 697 36.514 -9.556 -12.335 1.00 1.00 H new ATOM 0 HG LEU A 697 36.843 -9.705 -9.856 1.00 1.00 H new ATOM 0 HD11 LEU A 697 36.186 -11.789 -8.685 1.00 1.00 H new ATOM 0 HD12 LEU A 697 34.760 -10.935 -9.321 1.00 1.00 H new ATOM 0 HD13 LEU A 697 35.387 -12.369 -10.166 1.00 1.00 H new ATOM 0 HD21 LEU A 697 38.354 -11.683 -9.906 1.00 1.00 H new ATOM 0 HD22 LEU A 697 37.556 -12.251 -11.392 1.00 1.00 H new ATOM 0 HD23 LEU A 697 38.491 -10.737 -11.408 1.00 1.00 H new ATOM 201 N LEU A 698 35.471 -7.077 -11.295 1.00 1.00 N ATOM 202 CA LEU A 698 35.880 -5.835 -10.654 1.00 1.00 C ATOM 203 C LEU A 698 34.677 -5.134 -10.020 1.00 1.00 C ATOM 204 O LEU A 698 34.772 -4.591 -8.919 1.00 1.00 O ATOM 205 CB LEU A 698 36.519 -4.910 -11.694 1.00 1.00 C ATOM 206 CG LEU A 698 37.858 -5.497 -12.161 1.00 1.00 C ATOM 207 CD1 LEU A 698 38.299 -4.791 -13.443 1.00 1.00 C ATOM 208 CD2 LEU A 698 38.942 -5.300 -11.093 1.00 1.00 C ATOM 0 H LEU A 698 35.591 -7.092 -12.308 1.00 1.00 H new ATOM 0 HA LEU A 698 36.602 -6.067 -9.871 1.00 1.00 H new ATOM 0 HB2 LEU A 698 35.849 -4.787 -12.545 1.00 1.00 H new ATOM 0 HB3 LEU A 698 36.675 -3.920 -11.266 1.00 1.00 H new ATOM 0 HG LEU A 698 37.724 -6.564 -12.338 1.00 1.00 H new ATOM 0 HD11 LEU A 698 39.250 -5.205 -13.778 1.00 1.00 H new ATOM 0 HD12 LEU A 698 37.546 -4.939 -14.217 1.00 1.00 H new ATOM 0 HD13 LEU A 698 38.416 -3.725 -13.249 1.00 1.00 H new ATOM 0 HD21 LEU A 698 39.882 -5.724 -11.446 1.00 1.00 H new ATOM 0 HD22 LEU A 698 39.074 -4.235 -10.900 1.00 1.00 H new ATOM 0 HD23 LEU A 698 38.641 -5.801 -10.173 1.00 1.00 H new ATOM 220 N SER A 699 33.555 -5.130 -10.736 1.00 1.00 N ATOM 221 CA SER A 699 32.354 -4.463 -10.237 1.00 1.00 C ATOM 222 C SER A 699 31.911 -5.031 -8.887 1.00 1.00 C ATOM 223 O SER A 699 31.639 -4.274 -7.954 1.00 1.00 O ATOM 224 CB SER A 699 31.221 -4.620 -11.253 1.00 1.00 C ATOM 225 OG SER A 699 31.576 -3.958 -12.459 1.00 1.00 O ATOM 0 H SER A 699 33.452 -5.573 -11.649 1.00 1.00 H new ATOM 0 HA SER A 699 32.590 -3.408 -10.097 1.00 1.00 H new ATOM 0 HB2 SER A 699 31.034 -5.676 -11.446 1.00 1.00 H new ATOM 0 HB3 SER A 699 30.298 -4.201 -10.853 1.00 1.00 H new ATOM 0 HG SER A 699 32.262 -4.477 -12.927 1.00 1.00 H new ATOM 231 N VAL A 700 31.844 -6.356 -8.773 1.00 1.00 N ATOM 232 CA VAL A 700 31.437 -6.962 -7.507 1.00 1.00 C ATOM 233 C VAL A 700 32.471 -6.640 -6.430 1.00 1.00 C ATOM 234 O VAL A 700 32.120 -6.343 -5.286 1.00 1.00 O ATOM 235 CB VAL A 700 31.279 -8.483 -7.649 1.00 1.00 C ATOM 236 CG1 VAL A 700 30.061 -8.804 -8.515 1.00 1.00 C ATOM 237 CG2 VAL A 700 32.520 -9.076 -8.311 1.00 1.00 C ATOM 0 H VAL A 700 32.060 -7.016 -9.520 1.00 1.00 H new ATOM 0 HA VAL A 700 30.470 -6.548 -7.219 1.00 1.00 H new ATOM 0 HB VAL A 700 31.149 -8.912 -6.655 1.00 1.00 H new ATOM 0 HG11 VAL A 700 29.957 -9.885 -8.610 1.00 1.00 H new ATOM 0 HG12 VAL A 700 29.165 -8.393 -8.050 1.00 1.00 H new ATOM 0 HG13 VAL A 700 30.191 -8.364 -9.504 1.00 1.00 H new ATOM 0 HG21 VAL A 700 32.400 -10.155 -8.408 1.00 1.00 H new ATOM 0 HG22 VAL A 700 32.651 -8.635 -9.299 1.00 1.00 H new ATOM 0 HG23 VAL A 700 33.396 -8.862 -7.699 1.00 1.00 H new ATOM 247 N MET A 701 33.750 -6.716 -6.796 1.00 1.00 N ATOM 248 CA MET A 701 34.825 -6.446 -5.849 1.00 1.00 C ATOM 249 C MET A 701 34.758 -5.003 -5.354 1.00 1.00 C ATOM 250 O MET A 701 34.997 -4.729 -4.177 1.00 1.00 O ATOM 251 CB MET A 701 36.183 -6.686 -6.522 1.00 1.00 C ATOM 252 CG MET A 701 36.438 -8.192 -6.663 1.00 1.00 C ATOM 253 SD MET A 701 37.988 -8.472 -7.564 1.00 1.00 S ATOM 254 CE MET A 701 39.150 -8.012 -6.250 1.00 1.00 C ATOM 0 H MET A 701 34.063 -6.961 -7.735 1.00 1.00 H new ATOM 0 HA MET A 701 34.710 -7.118 -4.998 1.00 1.00 H new ATOM 0 HB2 MET A 701 36.201 -6.212 -7.503 1.00 1.00 H new ATOM 0 HB3 MET A 701 36.977 -6.228 -5.932 1.00 1.00 H new ATOM 0 HG2 MET A 701 36.491 -8.655 -5.678 1.00 1.00 H new ATOM 0 HG3 MET A 701 35.609 -8.662 -7.192 1.00 1.00 H new ATOM 0 HE1 MET A 701 40.142 -8.395 -6.491 1.00 1.00 H new ATOM 0 HE2 MET A 701 39.191 -6.926 -6.165 1.00 1.00 H new ATOM 0 HE3 MET A 701 38.816 -8.438 -5.304 1.00 1.00 H new ATOM 264 N GLY A 702 34.427 -4.086 -6.259 1.00 1.00 N ATOM 265 CA GLY A 702 34.331 -2.677 -5.891 1.00 1.00 C ATOM 266 C GLY A 702 33.250 -2.477 -4.839 1.00 1.00 C ATOM 267 O GLY A 702 33.430 -1.742 -3.868 1.00 1.00 O ATOM 0 H GLY A 702 34.224 -4.289 -7.238 1.00 1.00 H new ATOM 0 HA2 GLY A 702 35.290 -2.328 -5.507 1.00 1.00 H new ATOM 0 HA3 GLY A 702 34.104 -2.079 -6.773 1.00 1.00 H new ATOM 271 N ALA A 703 32.118 -3.132 -5.061 1.00 1.00 N ATOM 272 CA ALA A 703 30.987 -3.023 -4.151 1.00 1.00 C ATOM 273 C ALA A 703 31.384 -3.448 -2.741 1.00 1.00 C ATOM 274 O ALA A 703 30.976 -2.827 -1.759 1.00 1.00 O ATOM 275 CB ALA A 703 29.840 -3.902 -4.654 1.00 1.00 C ATOM 0 H ALA A 703 31.959 -3.743 -5.862 1.00 1.00 H new ATOM 0 HA ALA A 703 30.664 -1.982 -4.118 1.00 1.00 H new ATOM 0 HB1 ALA A 703 28.993 -3.820 -3.973 1.00 1.00 H new ATOM 0 HB2 ALA A 703 29.539 -3.573 -5.648 1.00 1.00 H new ATOM 0 HB3 ALA A 703 30.170 -4.940 -4.700 1.00 1.00 H new ATOM 281 N ILE A 704 32.186 -4.508 -2.648 1.00 1.00 N ATOM 282 CA ILE A 704 32.631 -5.003 -1.346 1.00 1.00 C ATOM 283 C ILE A 704 33.495 -3.961 -0.641 1.00 1.00 C ATOM 284 O ILE A 704 33.347 -3.722 0.558 1.00 1.00 O ATOM 285 CB ILE A 704 33.429 -6.297 -1.539 1.00 1.00 C ATOM 286 CG1 ILE A 704 32.475 -7.394 -2.020 1.00 1.00 C ATOM 287 CG2 ILE A 704 34.075 -6.725 -0.214 1.00 1.00 C ATOM 288 CD1 ILE A 704 33.269 -8.613 -2.493 1.00 1.00 C ATOM 0 H ILE A 704 32.537 -5.035 -3.448 1.00 1.00 H new ATOM 0 HA ILE A 704 31.756 -5.201 -0.726 1.00 1.00 H new ATOM 0 HB ILE A 704 34.217 -6.133 -2.274 1.00 1.00 H new ATOM 0 HG12 ILE A 704 31.801 -7.680 -1.212 1.00 1.00 H new ATOM 0 HG13 ILE A 704 31.855 -7.016 -2.833 1.00 1.00 H new ATOM 0 HG21 ILE A 704 34.639 -7.646 -0.365 1.00 1.00 H new ATOM 0 HG22 ILE A 704 34.747 -5.940 0.133 1.00 1.00 H new ATOM 0 HG23 ILE A 704 33.298 -6.893 0.532 1.00 1.00 H new ATOM 0 HD11 ILE A 704 32.580 -9.386 -2.833 1.00 1.00 H new ATOM 0 HD12 ILE A 704 33.924 -8.324 -3.315 1.00 1.00 H new ATOM 0 HD13 ILE A 704 33.869 -8.998 -1.669 1.00 1.00 H new ATOM 300 N LEU A 705 34.416 -3.365 -1.383 1.00 1.00 N ATOM 301 CA LEU A 705 35.319 -2.373 -0.815 1.00 1.00 C ATOM 302 C LEU A 705 34.563 -1.134 -0.322 1.00 1.00 C ATOM 303 O LEU A 705 34.838 -0.626 0.764 1.00 1.00 O ATOM 304 CB LEU A 705 36.351 -1.970 -1.879 1.00 1.00 C ATOM 305 CG LEU A 705 37.353 -0.950 -1.317 1.00 1.00 C ATOM 306 CD1 LEU A 705 38.090 -1.539 -0.113 1.00 1.00 C ATOM 307 CD2 LEU A 705 38.377 -0.594 -2.399 1.00 1.00 C ATOM 0 H LEU A 705 34.558 -3.549 -2.376 1.00 1.00 H new ATOM 0 HA LEU A 705 35.819 -2.814 0.047 1.00 1.00 H new ATOM 0 HB2 LEU A 705 36.884 -2.855 -2.227 1.00 1.00 H new ATOM 0 HB3 LEU A 705 35.840 -1.545 -2.743 1.00 1.00 H new ATOM 0 HG LEU A 705 36.809 -0.058 -1.006 1.00 1.00 H new ATOM 0 HD11 LEU A 705 38.797 -0.806 0.275 1.00 1.00 H new ATOM 0 HD12 LEU A 705 37.370 -1.796 0.664 1.00 1.00 H new ATOM 0 HD13 LEU A 705 38.629 -2.436 -0.419 1.00 1.00 H new ATOM 0 HD21 LEU A 705 39.089 0.130 -2.002 1.00 1.00 H new ATOM 0 HD22 LEU A 705 38.908 -1.494 -2.707 1.00 1.00 H new ATOM 0 HD23 LEU A 705 37.863 -0.164 -3.259 1.00 1.00 H new ATOM 319 N LEU A 706 33.628 -0.641 -1.130 1.00 1.00 N ATOM 320 CA LEU A 706 32.868 0.555 -0.769 1.00 1.00 C ATOM 321 C LEU A 706 31.973 0.347 0.454 1.00 1.00 C ATOM 322 O LEU A 706 31.895 1.219 1.318 1.00 1.00 O ATOM 323 CB LEU A 706 32.016 1.002 -1.959 1.00 1.00 C ATOM 324 CG LEU A 706 32.929 1.483 -3.094 1.00 1.00 C ATOM 325 CD1 LEU A 706 32.093 1.728 -4.349 1.00 1.00 C ATOM 326 CD2 LEU A 706 33.643 2.785 -2.699 1.00 1.00 C ATOM 0 H LEU A 706 33.379 -1.046 -2.032 1.00 1.00 H new ATOM 0 HA LEU A 706 33.593 1.326 -0.507 1.00 1.00 H new ATOM 0 HB2 LEU A 706 31.394 0.176 -2.304 1.00 1.00 H new ATOM 0 HB3 LEU A 706 31.342 1.804 -1.656 1.00 1.00 H new ATOM 0 HG LEU A 706 33.678 0.716 -3.288 1.00 1.00 H new ATOM 0 HD11 LEU A 706 32.740 2.070 -5.156 1.00 1.00 H new ATOM 0 HD12 LEU A 706 31.602 0.801 -4.646 1.00 1.00 H new ATOM 0 HD13 LEU A 706 31.340 2.488 -4.142 1.00 1.00 H new ATOM 0 HD21 LEU A 706 34.286 3.110 -3.517 1.00 1.00 H new ATOM 0 HD22 LEU A 706 32.903 3.557 -2.491 1.00 1.00 H new ATOM 0 HD23 LEU A 706 34.248 2.613 -1.809 1.00 1.00 H new ATOM 338 N ILE A 707 31.306 -0.802 0.548 1.00 1.00 N ATOM 339 CA ILE A 707 30.447 -1.058 1.702 1.00 1.00 C ATOM 340 C ILE A 707 31.297 -1.281 2.950 1.00 1.00 C ATOM 341 O ILE A 707 30.954 -0.823 4.040 1.00 1.00 O ATOM 342 CB ILE A 707 29.526 -2.263 1.442 1.00 1.00 C ATOM 343 CG1 ILE A 707 28.518 -2.406 2.583 1.00 1.00 C ATOM 344 CG2 ILE A 707 30.345 -3.547 1.332 1.00 1.00 C ATOM 345 CD1 ILE A 707 27.409 -3.378 2.164 1.00 1.00 C ATOM 0 H ILE A 707 31.341 -1.553 -0.142 1.00 1.00 H new ATOM 0 HA ILE A 707 29.815 -0.185 1.865 1.00 1.00 H new ATOM 0 HB ILE A 707 28.997 -2.095 0.504 1.00 1.00 H new ATOM 0 HG12 ILE A 707 29.017 -2.772 3.480 1.00 1.00 H new ATOM 0 HG13 ILE A 707 28.091 -1.434 2.830 1.00 1.00 H new ATOM 0 HG21 ILE A 707 29.678 -4.389 1.148 1.00 1.00 H new ATOM 0 HG22 ILE A 707 31.053 -3.458 0.508 1.00 1.00 H new ATOM 0 HG23 ILE A 707 30.890 -3.712 2.262 1.00 1.00 H new ATOM 0 HD11 ILE A 707 26.690 -3.481 2.976 1.00 1.00 H new ATOM 0 HD12 ILE A 707 26.904 -2.993 1.278 1.00 1.00 H new ATOM 0 HD13 ILE A 707 27.844 -4.352 1.939 1.00 1.00 H new ATOM 357 N GLY A 708 32.415 -1.982 2.778 1.00 1.00 N ATOM 358 CA GLY A 708 33.301 -2.248 3.903 1.00 1.00 C ATOM 359 C GLY A 708 33.794 -0.944 4.523 1.00 1.00 C ATOM 360 O GLY A 708 33.809 -0.799 5.743 1.00 1.00 O ATOM 0 H GLY A 708 32.723 -2.369 1.886 1.00 1.00 H new ATOM 0 HA2 GLY A 708 32.776 -2.838 4.654 1.00 1.00 H new ATOM 0 HA3 GLY A 708 34.152 -2.842 3.569 1.00 1.00 H new ATOM 364 N LEU A 709 34.188 0.008 3.683 1.00 1.00 N ATOM 365 CA LEU A 709 34.670 1.289 4.192 1.00 1.00 C ATOM 366 C LEU A 709 33.560 1.984 4.964 1.00 1.00 C ATOM 367 O LEU A 709 33.789 2.549 6.034 1.00 1.00 O ATOM 368 CB LEU A 709 35.112 2.185 3.034 1.00 1.00 C ATOM 369 CG LEU A 709 36.385 1.626 2.394 1.00 1.00 C ATOM 370 CD1 LEU A 709 36.652 2.371 1.084 1.00 1.00 C ATOM 371 CD2 LEU A 709 37.588 1.801 3.333 1.00 1.00 C ATOM 0 H LEU A 709 34.184 -0.078 2.667 1.00 1.00 H new ATOM 0 HA LEU A 709 35.519 1.106 4.850 1.00 1.00 H new ATOM 0 HB2 LEU A 709 34.319 2.248 2.289 1.00 1.00 H new ATOM 0 HB3 LEU A 709 35.291 3.198 3.395 1.00 1.00 H new ATOM 0 HG LEU A 709 36.246 0.562 2.203 1.00 1.00 H new ATOM 0 HD11 LEU A 709 37.558 1.979 0.621 1.00 1.00 H new ATOM 0 HD12 LEU A 709 35.809 2.231 0.408 1.00 1.00 H new ATOM 0 HD13 LEU A 709 36.780 3.434 1.289 1.00 1.00 H new ATOM 0 HD21 LEU A 709 38.482 1.397 2.858 1.00 1.00 H new ATOM 0 HD22 LEU A 709 37.735 2.861 3.542 1.00 1.00 H new ATOM 0 HD23 LEU A 709 37.401 1.270 4.266 1.00 1.00 H new ATOM 383 N ALA A 710 32.353 1.936 4.415 1.00 1.00 N ATOM 384 CA ALA A 710 31.217 2.563 5.073 1.00 1.00 C ATOM 385 C ALA A 710 31.015 1.946 6.457 1.00 1.00 C ATOM 386 O ALA A 710 30.682 2.640 7.417 1.00 1.00 O ATOM 387 CB ALA A 710 29.960 2.374 4.221 1.00 1.00 C ATOM 0 H ALA A 710 32.138 1.477 3.530 1.00 1.00 H new ATOM 0 HA ALA A 710 31.409 3.630 5.188 1.00 1.00 H new ATOM 0 HB1 ALA A 710 29.111 2.845 4.716 1.00 1.00 H new ATOM 0 HB2 ALA A 710 30.110 2.833 3.244 1.00 1.00 H new ATOM 0 HB3 ALA A 710 29.762 1.309 4.095 1.00 1.00 H new ATOM 393 N ALA A 711 31.223 0.635 6.546 1.00 1.00 N ATOM 394 CA ALA A 711 31.067 -0.072 7.815 1.00 1.00 C ATOM 395 C ALA A 711 32.118 0.387 8.827 1.00 1.00 C ATOM 396 O ALA A 711 31.810 0.605 9.999 1.00 1.00 O ATOM 397 CB ALA A 711 31.203 -1.577 7.589 1.00 1.00 C ATOM 0 H ALA A 711 31.498 0.044 5.761 1.00 1.00 H new ATOM 0 HA ALA A 711 30.077 0.153 8.213 1.00 1.00 H new ATOM 0 HB1 ALA A 711 31.086 -2.100 8.538 1.00 1.00 H new ATOM 0 HB2 ALA A 711 30.433 -1.911 6.893 1.00 1.00 H new ATOM 0 HB3 ALA A 711 32.187 -1.795 7.174 1.00 1.00 H new ATOM 403 N LEU A 712 33.357 0.521 8.366 1.00 1.00 N ATOM 404 CA LEU A 712 34.451 0.945 9.242 1.00 1.00 C ATOM 405 C LEU A 712 34.216 2.356 9.771 1.00 1.00 C ATOM 406 O LEU A 712 34.469 2.635 10.944 1.00 1.00 O ATOM 407 CB LEU A 712 35.791 0.907 8.489 1.00 1.00 C ATOM 408 CG LEU A 712 36.447 -0.483 8.589 1.00 1.00 C ATOM 409 CD1 LEU A 712 35.655 -1.516 7.784 1.00 1.00 C ATOM 410 CD2 LEU A 712 37.868 -0.406 8.025 1.00 1.00 C ATOM 0 H LEU A 712 33.631 0.345 7.399 1.00 1.00 H new ATOM 0 HA LEU A 712 34.485 0.252 10.083 1.00 1.00 H new ATOM 0 HB2 LEU A 712 35.630 1.161 7.441 1.00 1.00 H new ATOM 0 HB3 LEU A 712 36.464 1.660 8.900 1.00 1.00 H new ATOM 0 HG LEU A 712 36.463 -0.786 9.636 1.00 1.00 H new ATOM 0 HD11 LEU A 712 36.136 -2.490 7.869 1.00 1.00 H new ATOM 0 HD12 LEU A 712 34.638 -1.578 8.172 1.00 1.00 H new ATOM 0 HD13 LEU A 712 35.625 -1.216 6.737 1.00 1.00 H new ATOM 0 HD21 LEU A 712 38.340 -1.386 8.092 1.00 1.00 H new ATOM 0 HD22 LEU A 712 37.829 -0.093 6.982 1.00 1.00 H new ATOM 0 HD23 LEU A 712 38.449 0.316 8.599 1.00 1.00 H new ATOM 422 N LEU A 713 33.729 3.242 8.909 1.00 1.00 N ATOM 423 CA LEU A 713 33.461 4.620 9.304 1.00 1.00 C ATOM 424 C LEU A 713 32.322 4.682 10.320 1.00 1.00 C ATOM 425 O LEU A 713 32.374 5.436 11.291 1.00 1.00 O ATOM 426 CB LEU A 713 33.078 5.437 8.064 1.00 1.00 C ATOM 427 CG LEU A 713 34.286 5.557 7.128 1.00 1.00 C ATOM 428 CD1 LEU A 713 33.852 6.211 5.816 1.00 1.00 C ATOM 429 CD2 LEU A 713 35.384 6.406 7.781 1.00 1.00 C ATOM 0 H LEU A 713 33.512 3.031 7.935 1.00 1.00 H new ATOM 0 HA LEU A 713 34.360 5.032 9.763 1.00 1.00 H new ATOM 0 HB2 LEU A 713 32.249 4.958 7.543 1.00 1.00 H new ATOM 0 HB3 LEU A 713 32.737 6.429 8.362 1.00 1.00 H new ATOM 0 HG LEU A 713 34.679 4.560 6.931 1.00 1.00 H new ATOM 0 HD11 LEU A 713 34.711 6.296 5.150 1.00 1.00 H new ATOM 0 HD12 LEU A 713 33.084 5.600 5.341 1.00 1.00 H new ATOM 0 HD13 LEU A 713 33.451 7.204 6.020 1.00 1.00 H new ATOM 0 HD21 LEU A 713 36.235 6.482 7.105 1.00 1.00 H new ATOM 0 HD22 LEU A 713 34.997 7.403 7.991 1.00 1.00 H new ATOM 0 HD23 LEU A 713 35.701 5.937 8.712 1.00 1.00 H new ATOM 441 N ILE A 714 31.297 3.874 10.080 1.00 1.00 N ATOM 442 CA ILE A 714 30.152 3.843 10.982 1.00 1.00 C ATOM 443 C ILE A 714 30.580 3.363 12.367 1.00 1.00 C ATOM 444 O ILE A 714 30.181 3.938 13.379 1.00 1.00 O ATOM 445 CB ILE A 714 29.062 2.925 10.423 1.00 1.00 C ATOM 446 CG1 ILE A 714 28.448 3.562 9.166 1.00 1.00 C ATOM 447 CG2 ILE A 714 27.976 2.712 11.479 1.00 1.00 C ATOM 448 CD1 ILE A 714 27.304 4.510 9.555 1.00 1.00 C ATOM 0 H ILE A 714 31.234 3.241 9.283 1.00 1.00 H new ATOM 0 HA ILE A 714 29.752 4.853 11.069 1.00 1.00 H new ATOM 0 HB ILE A 714 29.500 1.962 10.161 1.00 1.00 H new ATOM 0 HG12 ILE A 714 29.213 4.110 8.617 1.00 1.00 H new ATOM 0 HG13 ILE A 714 28.074 2.784 8.501 1.00 1.00 H new ATOM 0 HG21 ILE A 714 27.202 2.058 11.078 1.00 1.00 H new ATOM 0 HG22 ILE A 714 28.415 2.253 12.365 1.00 1.00 H new ATOM 0 HG23 ILE A 714 27.536 3.673 11.748 1.00 1.00 H new ATOM 0 HD11 ILE A 714 26.878 4.954 8.656 1.00 1.00 H new ATOM 0 HD12 ILE A 714 26.532 3.951 10.084 1.00 1.00 H new ATOM 0 HD13 ILE A 714 27.689 5.298 10.202 1.00 1.00 H new ATOM 460 N TRP A 715 31.404 2.320 12.405 1.00 1.00 N ATOM 461 CA TRP A 715 31.881 1.797 13.681 1.00 1.00 C ATOM 462 C TRP A 715 32.616 2.915 14.422 1.00 1.00 C ATOM 463 O TRP A 715 32.380 3.162 15.604 1.00 1.00 O ATOM 464 CB TRP A 715 32.839 0.623 13.422 1.00 1.00 C ATOM 465 CG TRP A 715 33.423 0.095 14.703 1.00 1.00 C ATOM 466 CD1 TRP A 715 32.990 0.376 15.961 1.00 1.00 C ATOM 467 CD2 TRP A 715 34.575 -0.788 14.861 1.00 1.00 C ATOM 468 NE1 TRP A 715 33.796 -0.288 16.869 1.00 1.00 N ATOM 469 CE2 TRP A 715 34.788 -1.014 16.241 1.00 1.00 C ATOM 470 CE3 TRP A 715 35.445 -1.409 13.946 1.00 1.00 C ATOM 471 CZ2 TRP A 715 35.825 -1.829 16.697 1.00 1.00 C ATOM 472 CZ3 TRP A 715 36.490 -2.231 14.402 1.00 1.00 C ATOM 473 CH2 TRP A 715 36.679 -2.439 15.775 1.00 1.00 C ATOM 0 H TRP A 715 31.751 1.827 11.582 1.00 1.00 H new ATOM 0 HA TRP A 715 31.043 1.446 14.283 1.00 1.00 H new ATOM 0 HB2 TRP A 715 32.306 -0.176 12.907 1.00 1.00 H new ATOM 0 HB3 TRP A 715 33.643 0.947 12.761 1.00 1.00 H new ATOM 0 HD1 TRP A 715 32.154 1.013 16.211 1.00 1.00 H new ATOM 0 HE1 TRP A 715 33.672 -0.246 17.881 1.00 1.00 H new ATOM 0 HE3 TRP A 715 35.309 -1.253 12.886 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 35.966 -1.987 17.756 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 37.151 -2.705 13.691 1.00 1.00 H new ATOM 0 HH2 TRP A 715 37.484 -3.070 16.120 1.00 1.00 H new ATOM 484 N LYS A 716 33.515 3.590 13.714 1.00 1.00 N ATOM 485 CA LYS A 716 34.293 4.672 14.310 1.00 1.00 C ATOM 486 C LYS A 716 33.375 5.776 14.838 1.00 1.00 C ATOM 487 O LYS A 716 33.573 6.269 15.949 1.00 1.00 O ATOM 488 CB LYS A 716 35.256 5.255 13.256 1.00 1.00 C ATOM 489 CG LYS A 716 36.199 6.345 13.828 1.00 1.00 C ATOM 490 CD LYS A 716 37.433 5.803 14.603 1.00 1.00 C ATOM 491 CE LYS A 716 37.086 5.197 15.969 1.00 1.00 C ATOM 492 NZ LYS A 716 38.325 5.123 16.795 1.00 1.00 N ATOM 0 H LYS A 716 33.723 3.409 12.732 1.00 1.00 H new ATOM 0 HA LYS A 716 34.863 4.270 15.147 1.00 1.00 H new ATOM 0 HB2 LYS A 716 35.856 4.448 12.836 1.00 1.00 H new ATOM 0 HB3 LYS A 716 34.675 5.679 12.437 1.00 1.00 H new ATOM 0 HG2 LYS A 716 36.550 6.969 13.006 1.00 1.00 H new ATOM 0 HG3 LYS A 716 35.624 6.989 14.494 1.00 1.00 H new ATOM 0 HD2 LYS A 716 37.929 5.046 13.995 1.00 1.00 H new ATOM 0 HD3 LYS A 716 38.146 6.615 14.746 1.00 1.00 H new ATOM 0 HE2 LYS A 716 36.334 5.806 16.471 1.00 1.00 H new ATOM 0 HE3 LYS A 716 36.658 4.203 15.842 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 38.099 4.713 17.724 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 39.027 4.525 16.314 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 38.714 6.079 16.924 1.00 1.00 H new ATOM 506 N LEU A 717 32.377 6.165 14.053 1.00 1.00 N ATOM 507 CA LEU A 717 31.462 7.217 14.486 1.00 1.00 C ATOM 508 C LEU A 717 30.720 6.797 15.752 1.00 1.00 C ATOM 509 O LEU A 717 30.560 7.590 16.680 1.00 1.00 O ATOM 510 CB LEU A 717 30.446 7.511 13.380 1.00 1.00 C ATOM 511 CG LEU A 717 31.141 8.221 12.210 1.00 1.00 C ATOM 512 CD1 LEU A 717 30.185 8.282 11.015 1.00 1.00 C ATOM 513 CD2 LEU A 717 31.543 9.649 12.612 1.00 1.00 C ATOM 0 H LEU A 717 32.182 5.777 13.130 1.00 1.00 H new ATOM 0 HA LEU A 717 32.045 8.113 14.698 1.00 1.00 H new ATOM 0 HB2 LEU A 717 29.991 6.582 13.035 1.00 1.00 H new ATOM 0 HB3 LEU A 717 29.641 8.135 13.769 1.00 1.00 H new ATOM 0 HG LEU A 717 32.039 7.664 11.942 1.00 1.00 H new ATOM 0 HD11 LEU A 717 30.675 8.786 10.182 1.00 1.00 H new ATOM 0 HD12 LEU A 717 29.911 7.270 10.716 1.00 1.00 H new ATOM 0 HD13 LEU A 717 29.287 8.834 11.295 1.00 1.00 H new ATOM 0 HD21 LEU A 717 32.035 10.139 11.771 1.00 1.00 H new ATOM 0 HD22 LEU A 717 30.653 10.213 12.891 1.00 1.00 H new ATOM 0 HD23 LEU A 717 32.227 9.609 13.460 1.00 1.00 H new ATOM 525 N LEU A 718 30.277 5.546 15.790 1.00 1.00 N ATOM 526 CA LEU A 718 29.563 5.034 16.956 1.00 1.00 C ATOM 527 C LEU A 718 30.475 5.013 18.185 1.00 1.00 C ATOM 528 O LEU A 718 30.049 5.357 19.289 1.00 1.00 O ATOM 529 CB LEU A 718 29.050 3.620 16.671 1.00 1.00 C ATOM 530 CG LEU A 718 27.913 3.678 15.644 1.00 1.00 C ATOM 531 CD1 LEU A 718 27.554 2.257 15.207 1.00 1.00 C ATOM 532 CD2 LEU A 718 26.675 4.350 16.256 1.00 1.00 C ATOM 0 H LEU A 718 30.397 4.871 15.034 1.00 1.00 H new ATOM 0 HA LEU A 718 28.720 5.694 17.160 1.00 1.00 H new ATOM 0 HB2 LEU A 718 29.862 2.998 16.294 1.00 1.00 H new ATOM 0 HB3 LEU A 718 28.696 3.159 17.593 1.00 1.00 H new ATOM 0 HG LEU A 718 28.242 4.260 14.783 1.00 1.00 H new ATOM 0 HD11 LEU A 718 26.746 2.294 14.477 1.00 1.00 H new ATOM 0 HD12 LEU A 718 28.427 1.783 14.758 1.00 1.00 H new ATOM 0 HD13 LEU A 718 27.233 1.680 16.074 1.00 1.00 H new ATOM 0 HD21 LEU A 718 25.876 4.384 15.515 1.00 1.00 H new ATOM 0 HD22 LEU A 718 26.342 3.779 17.123 1.00 1.00 H new ATOM 0 HD23 LEU A 718 26.927 5.365 16.565 1.00 1.00 H new ATOM 544 N ILE A 719 31.726 4.608 17.989 1.00 1.00 N ATOM 545 CA ILE A 719 32.681 4.546 19.092 1.00 1.00 C ATOM 546 C ILE A 719 32.929 5.933 19.677 1.00 1.00 C ATOM 547 O ILE A 719 33.008 6.099 20.894 1.00 1.00 O ATOM 548 CB ILE A 719 34.011 3.946 18.614 1.00 1.00 C ATOM 549 CG1 ILE A 719 33.886 2.417 18.542 1.00 1.00 C ATOM 550 CG2 ILE A 719 35.133 4.327 19.587 1.00 1.00 C ATOM 551 CD1 ILE A 719 34.204 1.784 19.903 1.00 1.00 C ATOM 0 H ILE A 719 32.101 4.320 17.085 1.00 1.00 H new ATOM 0 HA ILE A 719 32.255 3.909 19.868 1.00 1.00 H new ATOM 0 HB ILE A 719 34.248 4.338 17.625 1.00 1.00 H new ATOM 0 HG12 ILE A 719 32.877 2.143 18.235 1.00 1.00 H new ATOM 0 HG13 ILE A 719 34.566 2.026 17.785 1.00 1.00 H new ATOM 0 HG21 ILE A 719 36.074 3.898 19.243 1.00 1.00 H new ATOM 0 HG22 ILE A 719 35.223 5.412 19.631 1.00 1.00 H new ATOM 0 HG23 ILE A 719 34.900 3.941 20.580 1.00 1.00 H new ATOM 0 HD11 ILE A 719 34.110 0.700 19.831 1.00 1.00 H new ATOM 0 HD12 ILE A 719 35.222 2.041 20.195 1.00 1.00 H new ATOM 0 HD13 ILE A 719 33.506 2.160 20.651 1.00 1.00 H new ATOM 563 N THR A 720 33.037 6.925 18.798 1.00 1.00 N ATOM 564 CA THR A 720 33.262 8.306 19.211 1.00 1.00 C ATOM 565 C THR A 720 32.096 8.831 20.050 1.00 1.00 C ATOM 566 O THR A 720 32.297 9.528 21.043 1.00 1.00 O ATOM 567 CB THR A 720 33.434 9.190 17.975 1.00 1.00 C ATOM 568 OG1 THR A 720 34.580 8.768 17.252 1.00 1.00 O ATOM 569 CG2 THR A 720 33.609 10.644 18.411 1.00 1.00 C ATOM 0 H THR A 720 32.972 6.796 17.788 1.00 1.00 H new ATOM 0 HA THR A 720 34.165 8.334 19.821 1.00 1.00 H new ATOM 0 HB THR A 720 32.553 9.107 17.339 1.00 1.00 H new ATOM 0 HG1 THR A 720 34.377 7.938 16.772 1.00 1.00 H new ATOM 0 HG21 THR A 720 33.732 11.275 17.531 1.00 1.00 H new ATOM 0 HG22 THR A 720 32.729 10.965 18.968 1.00 1.00 H new ATOM 0 HG23 THR A 720 34.491 10.730 19.045 1.00 1.00 H new ATOM 577 N ILE A 721 30.878 8.510 19.625 1.00 1.00 N ATOM 578 CA ILE A 721 29.660 8.963 20.299 1.00 1.00 C ATOM 579 C ILE A 721 29.543 8.438 21.727 1.00 1.00 C ATOM 580 O ILE A 721 29.133 9.176 22.624 1.00 1.00 O ATOM 581 CB ILE A 721 28.429 8.540 19.496 1.00 1.00 C ATOM 582 CG1 ILE A 721 28.372 9.346 18.194 1.00 1.00 C ATOM 583 CG2 ILE A 721 27.161 8.803 20.316 1.00 1.00 C ATOM 584 CD1 ILE A 721 27.328 8.739 17.252 1.00 1.00 C ATOM 0 H ILE A 721 30.705 7.929 18.805 1.00 1.00 H new ATOM 0 HA ILE A 721 29.718 10.050 20.357 1.00 1.00 H new ATOM 0 HB ILE A 721 28.494 7.476 19.266 1.00 1.00 H new ATOM 0 HG12 ILE A 721 28.120 10.384 18.409 1.00 1.00 H new ATOM 0 HG13 ILE A 721 29.351 9.348 17.714 1.00 1.00 H new ATOM 0 HG21 ILE A 721 26.286 8.500 19.740 1.00 1.00 H new ATOM 0 HG22 ILE A 721 27.202 8.230 21.243 1.00 1.00 H new ATOM 0 HG23 ILE A 721 27.092 9.866 20.549 1.00 1.00 H new ATOM 0 HD11 ILE A 721 27.292 9.316 16.328 1.00 1.00 H new ATOM 0 HD12 ILE A 721 27.598 7.708 17.025 1.00 1.00 H new ATOM 0 HD13 ILE A 721 26.349 8.760 17.731 1.00 1.00 H new ATOM 596 N HIS A 722 29.885 7.177 21.951 1.00 1.00 N ATOM 597 CA HIS A 722 29.787 6.635 23.303 1.00 1.00 C ATOM 598 C HIS A 722 30.545 7.533 24.276 1.00 1.00 C ATOM 599 O HIS A 722 30.037 7.877 25.344 1.00 1.00 O ATOM 600 CB HIS A 722 30.357 5.217 23.352 1.00 1.00 C ATOM 601 CG HIS A 722 29.387 4.269 22.706 1.00 1.00 C ATOM 602 ND1 HIS A 722 29.213 4.212 21.334 1.00 1.00 N ATOM 603 CD2 HIS A 722 28.525 3.339 23.233 1.00 1.00 C ATOM 604 CE1 HIS A 722 28.278 3.277 21.082 1.00 1.00 C ATOM 605 NE2 HIS A 722 27.826 2.714 22.205 1.00 1.00 N ATOM 0 H HIS A 722 30.222 6.526 21.242 1.00 1.00 H new ATOM 0 HA HIS A 722 28.736 6.599 23.591 1.00 1.00 H new ATOM 0 HB2 HIS A 722 31.317 5.181 22.837 1.00 1.00 H new ATOM 0 HB3 HIS A 722 30.539 4.921 24.385 1.00 1.00 H new ATOM 0 HD1 HIS A 722 29.704 4.776 20.640 1.00 1.00 H new ATOM 0 HD2 HIS A 722 28.408 3.125 24.285 1.00 1.00 H new ATOM 0 HE1 HIS A 722 27.935 3.014 20.092 1.00 1.00 H new ATOM 613 N ASP A 723 31.759 7.918 23.898 1.00 1.00 N ATOM 614 CA ASP A 723 32.569 8.790 24.744 1.00 1.00 C ATOM 615 C ASP A 723 32.287 10.254 24.414 1.00 1.00 C ATOM 616 O ASP A 723 31.466 10.899 25.065 1.00 1.00 O ATOM 617 CB ASP A 723 34.059 8.504 24.535 1.00 1.00 C ATOM 618 CG ASP A 723 34.420 7.132 25.090 1.00 1.00 C ATOM 619 OD1 ASP A 723 33.615 6.579 25.821 1.00 1.00 O ATOM 620 OD2 ASP A 723 35.498 6.653 24.777 1.00 1.00 O ATOM 0 H ASP A 723 32.201 7.644 23.021 1.00 1.00 H new ATOM 0 HA ASP A 723 32.308 8.595 25.784 1.00 1.00 H new ATOM 0 HB2 ASP A 723 34.299 8.548 23.473 1.00 1.00 H new ATOM 0 HB3 ASP A 723 34.656 9.271 25.028 1.00 1.00 H new ATOM 625 N ARG A 724 32.987 10.778 23.413 1.00 1.00 N ATOM 626 CA ARG A 724 32.820 12.176 23.022 1.00 1.00 C ATOM 627 C ARG A 724 31.529 12.389 22.238 1.00 1.00 C ATOM 628 O ARG A 724 31.110 11.529 21.464 1.00 1.00 O ATOM 629 CB ARG A 724 34.009 12.620 22.172 1.00 1.00 C ATOM 630 CG ARG A 724 35.262 12.681 23.048 1.00 1.00 C ATOM 631 CD ARG A 724 36.471 13.032 22.182 1.00 1.00 C ATOM 632 NE ARG A 724 37.667 13.171 23.007 1.00 1.00 N ATOM 633 CZ ARG A 724 38.420 12.121 23.328 1.00 1.00 C ATOM 634 NH1 ARG A 724 38.089 10.920 22.928 1.00 1.00 N ATOM 635 NH2 ARG A 724 39.493 12.294 24.048 1.00 1.00 N ATOM 0 H ARG A 724 33.671 10.261 22.860 1.00 1.00 H new ATOM 0 HA ARG A 724 32.767 12.773 23.932 1.00 1.00 H new ATOM 0 HB2 ARG A 724 34.161 11.924 21.347 1.00 1.00 H new ATOM 0 HB3 ARG A 724 33.811 13.597 21.732 1.00 1.00 H new ATOM 0 HG2 ARG A 724 35.134 13.427 23.833 1.00 1.00 H new ATOM 0 HG3 ARG A 724 35.421 11.722 23.542 1.00 1.00 H new ATOM 0 HD2 ARG A 724 36.627 12.256 21.433 1.00 1.00 H new ATOM 0 HD3 ARG A 724 36.283 13.961 21.644 1.00 1.00 H new ATOM 0 HE ARG A 724 37.933 14.096 23.346 1.00 1.00 H new ATOM 0 HH11 ARG A 724 37.249 10.783 22.366 1.00 1.00 H new ATOM 0 HH12 ARG A 724 38.671 10.121 23.178 1.00 1.00 H new ATOM 0 HH21 ARG A 724 39.751 13.230 24.362 1.00 1.00 H new ATOM 0 HH22 ARG A 724 40.074 11.494 24.297 1.00 1.00 H new ATOM 649 N LYS A 725 30.913 13.551 22.446 1.00 1.00 N ATOM 650 CA LYS A 725 29.673 13.896 21.762 1.00 1.00 C ATOM 651 C LYS A 725 29.815 15.244 21.058 1.00 1.00 C ATOM 652 O LYS A 725 30.425 16.169 21.594 1.00 1.00 O ATOM 653 CB LYS A 725 28.528 13.971 22.776 1.00 1.00 C ATOM 654 CG LYS A 725 28.222 12.569 23.316 1.00 1.00 C ATOM 655 CD LYS A 725 27.221 12.652 24.480 1.00 1.00 C ATOM 656 CE LYS A 725 25.800 12.895 23.952 1.00 1.00 C ATOM 657 NZ LYS A 725 24.841 12.870 25.091 1.00 1.00 N ATOM 0 H LYS A 725 31.255 14.269 23.084 1.00 1.00 H new ATOM 0 HA LYS A 725 29.456 13.127 21.020 1.00 1.00 H new ATOM 0 HB2 LYS A 725 28.799 14.636 23.596 1.00 1.00 H new ATOM 0 HB3 LYS A 725 27.639 14.392 22.305 1.00 1.00 H new ATOM 0 HG2 LYS A 725 27.814 11.946 22.520 1.00 1.00 H new ATOM 0 HG3 LYS A 725 29.143 12.093 23.653 1.00 1.00 H new ATOM 0 HD2 LYS A 725 27.248 11.727 25.057 1.00 1.00 H new ATOM 0 HD3 LYS A 725 27.507 13.458 25.156 1.00 1.00 H new ATOM 0 HE2 LYS A 725 25.749 13.856 23.440 1.00 1.00 H new ATOM 0 HE3 LYS A 725 25.535 12.130 23.222 1.00 1.00 H new ATOM 0 HZ1 LYS A 725 23.877 13.034 24.737 1.00 1.00 H new ATOM 0 HZ2 LYS A 725 24.884 11.943 25.561 1.00 1.00 H new ATOM 0 HZ3 LYS A 725 25.091 13.615 25.772 1.00 1.00 H new ATOM 671 N GLU A 726 29.239 15.351 19.863 1.00 1.00 N ATOM 672 CA GLU A 726 29.301 16.598 19.105 1.00 1.00 C ATOM 673 C GLU A 726 27.939 17.278 19.111 1.00 1.00 C ATOM 674 O GLU A 726 26.973 16.762 18.547 1.00 1.00 O ATOM 675 CB GLU A 726 29.720 16.328 17.660 1.00 1.00 C ATOM 676 CG GLU A 726 31.167 15.831 17.623 1.00 1.00 C ATOM 677 CD GLU A 726 31.567 15.517 16.185 1.00 1.00 C ATOM 678 OE1 GLU A 726 30.715 15.627 15.317 1.00 1.00 O ATOM 679 OE2 GLU A 726 32.716 15.169 15.971 1.00 1.00 O ATOM 0 H GLU A 726 28.729 14.597 19.402 1.00 1.00 H new ATOM 0 HA GLU A 726 30.039 17.248 19.575 1.00 1.00 H new ATOM 0 HB2 GLU A 726 29.059 15.585 17.213 1.00 1.00 H new ATOM 0 HB3 GLU A 726 29.623 17.238 17.068 1.00 1.00 H new ATOM 0 HG2 GLU A 726 31.832 16.588 18.038 1.00 1.00 H new ATOM 0 HG3 GLU A 726 31.271 14.940 18.242 1.00 1.00 H new ATOM 686 N PHE A 727 27.868 18.437 19.751 1.00 1.00 N ATOM 687 CA PHE A 727 26.617 19.182 19.823 1.00 1.00 C ATOM 688 C PHE A 727 25.449 18.239 20.098 1.00 1.00 C ATOM 689 O PHE A 727 25.335 17.779 21.223 1.00 1.00 O ATOM 690 CB PHE A 727 26.378 19.924 18.506 1.00 1.00 C ATOM 691 CG PHE A 727 25.091 20.704 18.589 1.00 1.00 C ATOM 692 CD1 PHE A 727 25.031 21.871 19.356 1.00 1.00 C ATOM 693 CD2 PHE A 727 23.959 20.264 17.893 1.00 1.00 C ATOM 694 CE1 PHE A 727 23.836 22.596 19.434 1.00 1.00 C ATOM 695 CE2 PHE A 727 22.765 20.986 17.971 1.00 1.00 C ATOM 696 CZ PHE A 727 22.703 22.155 18.739 1.00 1.00 C ATOM 697 OXT PHE A 727 24.687 17.989 19.178 1.00 1.00 O ATOM 0 H PHE A 727 28.655 18.880 20.225 1.00 1.00 H new ATOM 0 HA PHE A 727 26.688 19.902 20.638 1.00 1.00 H new ATOM 0 HB2 PHE A 727 27.210 20.597 18.301 1.00 1.00 H new ATOM 0 HB3 PHE A 727 26.332 19.214 17.680 1.00 1.00 H new ATOM 0 HD1 PHE A 727 25.906 22.213 19.888 1.00 1.00 H new ATOM 0 HD2 PHE A 727 24.008 19.366 17.295 1.00 1.00 H new ATOM 0 HE1 PHE A 727 23.788 23.495 20.030 1.00 1.00 H new ATOM 0 HE2 PHE A 727 21.890 20.642 17.439 1.00 1.00 H new ATOM 0 HZ PHE A 727 21.782 22.716 18.795 1.00 1.00 H new TER 707 PHE A 727