USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 490 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 1 GLY N :NH3+ -108:sc= 0.0823 (180deg=0) USER MOD Single : A 3 MET CE :methyl 173:sc= 0 (180deg=-0.0365) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -65:sc= -0.834 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -2.15 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 95:sc= 1.18 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0.49) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.049 X(o=-0.049,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.658 X(o=-0.66,f=-0.18) USER MOD Single : A 38 SER OG : rot 88:sc= 0.796 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -81:sc= 0.557 USER MOD Single : A 43 GLN : amide:sc= -0.296 K(o=-0.3,f=-1.6) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0317 K(o=-0.032,f=-1.8!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 88:sc= 0.149 USER MOD Single : A 60 SER OG : rot -71:sc= 0.329 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.511 18.138 13.871 1.00 0.00 N ATOM 2 CA GLY A 1 -29.667 17.937 14.791 1.00 0.00 C ATOM 3 C GLY A 1 -29.462 16.652 15.597 1.00 0.00 C ATOM 4 O GLY A 1 -28.783 15.746 15.155 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.926 18.926 14.216 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.939 17.270 13.838 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.861 18.358 12.917 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.762 18.789 15.464 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.593 17.877 14.220 1.00 0.00 H new ATOM 10 N PRO A 2 -30.060 16.611 16.762 1.00 0.00 N ATOM 11 CA PRO A 2 -29.937 15.418 17.636 1.00 0.00 C ATOM 12 C PRO A 2 -30.759 14.256 17.073 1.00 0.00 C ATOM 13 O PRO A 2 -30.449 13.100 17.293 1.00 0.00 O ATOM 14 CB PRO A 2 -30.506 15.891 18.971 1.00 0.00 C ATOM 15 CG PRO A 2 -31.431 17.013 18.623 1.00 0.00 C ATOM 16 CD PRO A 2 -30.895 17.656 17.370 1.00 0.00 C ATOM 0 HA PRO A 2 -28.914 15.052 17.721 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -31.036 15.087 19.481 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -29.714 16.226 19.641 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -32.443 16.642 18.463 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -31.482 17.737 19.436 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -31.701 17.962 16.702 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -30.313 18.549 17.597 1.00 0.00 H new ATOM 24 N MET A 3 -31.806 14.553 16.350 1.00 0.00 N ATOM 25 CA MET A 3 -32.651 13.466 15.772 1.00 0.00 C ATOM 26 C MET A 3 -31.883 12.725 14.675 1.00 0.00 C ATOM 27 O MET A 3 -32.100 11.554 14.436 1.00 0.00 O ATOM 28 CB MET A 3 -33.871 14.179 15.187 1.00 0.00 C ATOM 29 CG MET A 3 -34.842 13.144 14.615 1.00 0.00 C ATOM 30 SD MET A 3 -36.386 13.963 14.142 1.00 0.00 S ATOM 31 CE MET A 3 -35.834 14.574 12.532 1.00 0.00 C ATOM 0 H MET A 3 -32.113 15.501 16.134 1.00 0.00 H new ATOM 0 HA MET A 3 -32.934 12.723 16.518 1.00 0.00 H new ATOM 0 HB2 MET A 3 -34.365 14.769 15.959 1.00 0.00 H new ATOM 0 HB3 MET A 3 -33.560 14.872 14.406 1.00 0.00 H new ATOM 0 HG2 MET A 3 -34.398 12.653 13.749 1.00 0.00 H new ATOM 0 HG3 MET A 3 -35.041 12.368 15.354 1.00 0.00 H new ATOM 0 HE1 MET A 3 -36.678 15.013 12.000 1.00 0.00 H new ATOM 0 HE2 MET A 3 -35.063 15.331 12.675 1.00 0.00 H new ATOM 0 HE3 MET A 3 -35.428 13.747 11.949 1.00 0.00 H new ATOM 41 N SER A 4 -30.988 13.401 14.005 1.00 0.00 N ATOM 42 CA SER A 4 -30.206 12.736 12.920 1.00 0.00 C ATOM 43 C SER A 4 -28.708 12.799 13.230 1.00 0.00 C ATOM 44 O SER A 4 -27.881 12.804 12.339 1.00 0.00 O ATOM 45 CB SER A 4 -30.526 13.533 11.658 1.00 0.00 C ATOM 46 OG SER A 4 -30.469 12.669 10.529 1.00 0.00 O ATOM 0 H SER A 4 -30.764 14.384 14.161 1.00 0.00 H new ATOM 0 HA SER A 4 -30.462 11.682 12.813 1.00 0.00 H new ATOM 0 HB2 SER A 4 -31.517 13.981 11.738 1.00 0.00 H new ATOM 0 HB3 SER A 4 -29.815 14.351 11.541 1.00 0.00 H new ATOM 0 HG SER A 4 -30.676 13.178 9.717 1.00 0.00 H new ATOM 52 N THR A 5 -28.354 12.848 14.487 1.00 0.00 N ATOM 53 CA THR A 5 -26.908 12.909 14.855 1.00 0.00 C ATOM 54 C THR A 5 -26.185 11.648 14.374 1.00 0.00 C ATOM 55 O THR A 5 -25.018 11.681 14.037 1.00 0.00 O ATOM 56 CB THR A 5 -26.885 13.001 16.384 1.00 0.00 C ATOM 57 OG1 THR A 5 -25.541 13.116 16.829 1.00 0.00 O ATOM 58 CG2 THR A 5 -27.519 11.746 16.991 1.00 0.00 C ATOM 0 H THR A 5 -29.002 12.848 15.274 1.00 0.00 H new ATOM 0 HA THR A 5 -26.401 13.757 14.394 1.00 0.00 H new ATOM 0 HB THR A 5 -27.452 13.877 16.700 1.00 0.00 H new ATOM 0 HG1 THR A 5 -25.524 13.177 17.807 1.00 0.00 H new ATOM 0 HG21 THR A 5 -27.499 11.818 18.078 1.00 0.00 H new ATOM 0 HG22 THR A 5 -28.551 11.659 16.652 1.00 0.00 H new ATOM 0 HG23 THR A 5 -26.958 10.866 16.675 1.00 0.00 H new ATOM 66 N THR A 6 -26.874 10.538 14.339 1.00 0.00 N ATOM 67 CA THR A 6 -26.232 9.269 13.878 1.00 0.00 C ATOM 68 C THR A 6 -25.575 9.474 12.509 1.00 0.00 C ATOM 69 O THR A 6 -24.633 8.795 12.155 1.00 0.00 O ATOM 70 CB THR A 6 -27.375 8.256 13.775 1.00 0.00 C ATOM 71 OG1 THR A 6 -28.343 8.729 12.849 1.00 0.00 O ATOM 72 CG2 THR A 6 -28.026 8.070 15.147 1.00 0.00 C ATOM 0 H THR A 6 -27.854 10.454 14.610 1.00 0.00 H new ATOM 0 HA THR A 6 -25.451 8.934 14.560 1.00 0.00 H new ATOM 0 HB THR A 6 -26.980 7.299 13.433 1.00 0.00 H new ATOM 0 HG1 THR A 6 -29.075 8.081 12.781 1.00 0.00 H new ATOM 0 HG21 THR A 6 -28.839 7.348 15.069 1.00 0.00 H new ATOM 0 HG22 THR A 6 -27.283 7.704 15.856 1.00 0.00 H new ATOM 0 HG23 THR A 6 -28.420 9.025 15.495 1.00 0.00 H new ATOM 80 N GLU A 7 -26.070 10.408 11.740 1.00 0.00 N ATOM 81 CA GLU A 7 -25.477 10.661 10.393 1.00 0.00 C ATOM 82 C GLU A 7 -24.062 11.228 10.537 1.00 0.00 C ATOM 83 O GLU A 7 -23.122 10.732 9.947 1.00 0.00 O ATOM 84 CB GLU A 7 -26.403 11.687 9.737 1.00 0.00 C ATOM 85 CG GLU A 7 -25.896 12.009 8.330 1.00 0.00 C ATOM 86 CD GLU A 7 -27.083 12.335 7.420 1.00 0.00 C ATOM 87 OE1 GLU A 7 -28.000 11.532 7.366 1.00 0.00 O ATOM 88 OE2 GLU A 7 -27.054 13.381 6.795 1.00 0.00 O ATOM 0 H GLU A 7 -26.859 11.006 11.986 1.00 0.00 H new ATOM 0 HA GLU A 7 -25.395 9.750 9.800 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -27.419 11.296 9.688 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -26.440 12.596 10.338 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -25.208 12.854 8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -25.340 11.161 7.930 1.00 0.00 H new ATOM 95 N VAL A 8 -23.905 12.265 11.315 1.00 0.00 N ATOM 96 CA VAL A 8 -22.551 12.870 11.498 1.00 0.00 C ATOM 97 C VAL A 8 -21.569 11.825 12.037 1.00 0.00 C ATOM 98 O VAL A 8 -20.423 11.772 11.632 1.00 0.00 O ATOM 99 CB VAL A 8 -22.752 13.994 12.517 1.00 0.00 C ATOM 100 CG1 VAL A 8 -21.411 14.674 12.805 1.00 0.00 C ATOM 101 CG2 VAL A 8 -23.732 15.025 11.952 1.00 0.00 C ATOM 0 H VAL A 8 -24.656 12.721 11.833 1.00 0.00 H new ATOM 0 HA VAL A 8 -22.136 13.239 10.560 1.00 0.00 H new ATOM 0 HB VAL A 8 -23.152 13.576 13.441 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -21.557 15.474 13.531 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -20.711 13.942 13.208 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -21.009 15.091 11.882 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -23.876 15.826 12.677 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -23.330 15.440 11.028 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -24.689 14.544 11.748 1.00 0.00 H new ATOM 111 N ARG A 9 -22.007 10.995 12.944 1.00 0.00 N ATOM 112 CA ARG A 9 -21.102 9.956 13.509 1.00 0.00 C ATOM 113 C ARG A 9 -20.886 8.836 12.486 1.00 0.00 C ATOM 114 O ARG A 9 -19.785 8.350 12.307 1.00 0.00 O ATOM 115 CB ARG A 9 -21.837 9.433 14.744 1.00 0.00 C ATOM 116 CG ARG A 9 -21.050 8.277 15.367 1.00 0.00 C ATOM 117 CD ARG A 9 -20.472 8.711 16.719 1.00 0.00 C ATOM 118 NE ARG A 9 -20.856 7.628 17.666 1.00 0.00 N ATOM 119 CZ ARG A 9 -21.848 7.809 18.495 1.00 0.00 C ATOM 120 NH1 ARG A 9 -23.017 8.170 18.044 1.00 0.00 N ATOM 121 NH2 ARG A 9 -21.669 7.626 19.775 1.00 0.00 N ATOM 0 H ARG A 9 -22.956 10.992 13.319 1.00 0.00 H new ATOM 0 HA ARG A 9 -20.116 10.347 13.758 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -21.960 10.235 15.472 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -22.837 9.097 14.468 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -21.700 7.412 15.500 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -20.245 7.971 14.699 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -19.389 8.825 16.667 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -20.879 9.672 17.032 1.00 0.00 H new ATOM 0 HE ARG A 9 -20.344 6.746 17.667 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -23.156 8.311 17.043 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -23.792 8.311 18.692 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -20.755 7.342 20.127 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -22.443 7.767 20.424 1.00 0.00 H new ATOM 135 N GLU A 10 -21.927 8.425 11.814 1.00 0.00 N ATOM 136 CA GLU A 10 -21.783 7.337 10.802 1.00 0.00 C ATOM 137 C GLU A 10 -20.918 7.815 9.633 1.00 0.00 C ATOM 138 O GLU A 10 -20.000 7.140 9.212 1.00 0.00 O ATOM 139 CB GLU A 10 -23.206 7.038 10.332 1.00 0.00 C ATOM 140 CG GLU A 10 -23.192 5.824 9.401 1.00 0.00 C ATOM 141 CD GLU A 10 -24.574 5.647 8.771 1.00 0.00 C ATOM 142 OE1 GLU A 10 -25.430 5.072 9.423 1.00 0.00 O ATOM 143 OE2 GLU A 10 -24.754 6.089 7.649 1.00 0.00 O ATOM 0 H GLU A 10 -22.871 8.795 11.921 1.00 0.00 H new ATOM 0 HA GLU A 10 -21.299 6.452 11.214 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -23.850 6.844 11.190 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -23.618 7.903 9.813 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -22.441 5.958 8.623 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -22.917 4.928 9.958 1.00 0.00 H new ATOM 150 N ARG A 11 -21.206 8.977 9.106 1.00 0.00 N ATOM 151 CA ARG A 11 -20.401 9.501 7.962 1.00 0.00 C ATOM 152 C ARG A 11 -18.936 9.662 8.376 1.00 0.00 C ATOM 153 O ARG A 11 -18.032 9.420 7.601 1.00 0.00 O ATOM 154 CB ARG A 11 -21.015 10.862 7.632 1.00 0.00 C ATOM 155 CG ARG A 11 -22.040 10.702 6.507 1.00 0.00 C ATOM 156 CD ARG A 11 -22.395 12.077 5.939 1.00 0.00 C ATOM 157 NE ARG A 11 -22.844 11.815 4.543 1.00 0.00 N ATOM 158 CZ ARG A 11 -23.409 12.765 3.848 1.00 0.00 C ATOM 159 NH1 ARG A 11 -24.300 13.539 4.405 1.00 0.00 N ATOM 160 NH2 ARG A 11 -23.082 12.942 2.598 1.00 0.00 N ATOM 0 H ARG A 11 -21.963 9.585 9.418 1.00 0.00 H new ATOM 0 HA ARG A 11 -20.418 8.828 7.105 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -21.494 11.281 8.517 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -20.235 11.561 7.331 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -21.635 10.065 5.720 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -22.937 10.211 6.885 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -23.182 12.554 6.523 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -21.534 12.746 5.958 1.00 0.00 H new ATOM 0 HE ARG A 11 -22.710 10.892 4.130 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -24.555 13.402 5.383 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -24.742 14.281 3.862 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -22.385 12.338 2.163 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -23.524 13.684 2.055 1.00 0.00 H new ATOM 174 N ARG A 12 -18.697 10.068 9.595 1.00 0.00 N ATOM 175 CA ARG A 12 -17.291 10.245 10.062 1.00 0.00 C ATOM 176 C ARG A 12 -16.585 8.889 10.146 1.00 0.00 C ATOM 177 O ARG A 12 -15.392 8.788 9.937 1.00 0.00 O ATOM 178 CB ARG A 12 -17.409 10.875 11.452 1.00 0.00 C ATOM 179 CG ARG A 12 -16.011 11.155 12.010 1.00 0.00 C ATOM 180 CD ARG A 12 -15.449 12.424 11.368 1.00 0.00 C ATOM 181 NE ARG A 12 -14.063 12.542 11.902 1.00 0.00 N ATOM 182 CZ ARG A 12 -13.787 13.440 12.809 1.00 0.00 C ATOM 183 NH1 ARG A 12 -14.613 13.644 13.798 1.00 0.00 N ATOM 184 NH2 ARG A 12 -12.683 14.131 12.727 1.00 0.00 N ATOM 0 H ARG A 12 -19.414 10.285 10.287 1.00 0.00 H new ATOM 0 HA ARG A 12 -16.707 10.865 9.382 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -17.981 11.801 11.395 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -17.951 10.206 12.121 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -16.057 11.272 13.093 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -15.352 10.311 11.809 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.448 12.350 10.281 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -16.048 13.297 11.628 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.330 11.921 11.559 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -15.475 13.102 13.863 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.397 14.345 14.506 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.036 13.969 11.955 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.467 14.833 13.435 1.00 0.00 H new ATOM 198 N ARG A 13 -17.314 7.849 10.452 1.00 0.00 N ATOM 199 CA ARG A 13 -16.688 6.496 10.553 1.00 0.00 C ATOM 200 C ARG A 13 -16.479 5.898 9.157 1.00 0.00 C ATOM 201 O ARG A 13 -15.542 5.160 8.923 1.00 0.00 O ATOM 202 CB ARG A 13 -17.686 5.655 11.355 1.00 0.00 C ATOM 203 CG ARG A 13 -16.990 5.064 12.584 1.00 0.00 C ATOM 204 CD ARG A 13 -17.085 6.050 13.752 1.00 0.00 C ATOM 205 NE ARG A 13 -17.980 5.389 14.743 1.00 0.00 N ATOM 206 CZ ARG A 13 -17.468 4.753 15.761 1.00 0.00 C ATOM 207 NH1 ARG A 13 -16.603 5.349 16.536 1.00 0.00 N ATOM 208 NH2 ARG A 13 -17.821 3.520 16.004 1.00 0.00 N ATOM 0 H ARG A 13 -18.317 7.877 10.637 1.00 0.00 H new ATOM 0 HA ARG A 13 -15.708 6.531 11.030 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -18.530 6.271 11.664 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -18.086 4.855 10.732 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -17.454 4.116 12.856 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -15.945 4.854 12.357 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -16.103 6.251 14.180 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -17.494 7.007 13.428 1.00 0.00 H new ATOM 0 HE ARG A 13 -18.992 5.434 14.626 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -16.327 6.312 16.346 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -16.203 4.851 17.332 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -18.497 3.054 15.398 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -17.421 3.022 16.800 1.00 0.00 H new ATOM 222 N SER A 14 -17.347 6.207 8.233 1.00 0.00 N ATOM 223 CA SER A 14 -17.206 5.654 6.851 1.00 0.00 C ATOM 224 C SER A 14 -15.865 6.062 6.237 1.00 0.00 C ATOM 225 O SER A 14 -15.321 5.358 5.411 1.00 0.00 O ATOM 226 CB SER A 14 -18.361 6.243 6.040 1.00 0.00 C ATOM 227 OG SER A 14 -19.167 7.068 6.873 1.00 0.00 O ATOM 0 H SER A 14 -18.150 6.820 8.373 1.00 0.00 H new ATOM 0 HA SER A 14 -17.235 4.564 6.859 1.00 0.00 H new ATOM 0 HB2 SER A 14 -17.971 6.825 5.205 1.00 0.00 H new ATOM 0 HB3 SER A 14 -18.964 5.441 5.615 1.00 0.00 H new ATOM 0 HG SER A 14 -19.600 6.517 7.558 1.00 0.00 H new ATOM 233 N TYR A 15 -15.338 7.201 6.621 1.00 0.00 N ATOM 234 CA TYR A 15 -14.031 7.669 6.052 1.00 0.00 C ATOM 235 C TYR A 15 -13.048 6.496 5.905 1.00 0.00 C ATOM 236 O TYR A 15 -12.215 6.479 5.021 1.00 0.00 O ATOM 237 CB TYR A 15 -13.510 8.717 7.051 1.00 0.00 C ATOM 238 CG TYR A 15 -12.669 8.061 8.125 1.00 0.00 C ATOM 239 CD1 TYR A 15 -13.271 7.249 9.093 1.00 0.00 C ATOM 240 CD2 TYR A 15 -11.284 8.268 8.152 1.00 0.00 C ATOM 241 CE1 TYR A 15 -12.492 6.645 10.086 1.00 0.00 C ATOM 242 CE2 TYR A 15 -10.504 7.664 9.144 1.00 0.00 C ATOM 243 CZ TYR A 15 -11.108 6.852 10.112 1.00 0.00 C ATOM 244 OH TYR A 15 -10.339 6.256 11.091 1.00 0.00 O ATOM 0 H TYR A 15 -15.758 7.829 7.306 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.145 8.091 5.053 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.917 9.465 6.525 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -14.350 9.240 7.509 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -14.339 7.088 9.073 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -10.818 8.895 7.406 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -12.959 6.019 10.832 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -9.436 7.824 9.163 1.00 0.00 H new ATOM 0 HH TYR A 15 -9.399 6.502 10.964 1.00 0.00 H new ATOM 254 N LEU A 16 -13.159 5.512 6.757 1.00 0.00 N ATOM 255 CA LEU A 16 -12.255 4.334 6.664 1.00 0.00 C ATOM 256 C LEU A 16 -12.987 3.085 7.134 1.00 0.00 C ATOM 257 O LEU A 16 -12.449 2.271 7.857 1.00 0.00 O ATOM 258 CB LEU A 16 -11.081 4.648 7.585 1.00 0.00 C ATOM 259 CG LEU A 16 -9.975 3.608 7.381 1.00 0.00 C ATOM 260 CD1 LEU A 16 -9.498 3.636 5.927 1.00 0.00 C ATOM 261 CD2 LEU A 16 -8.802 3.925 8.309 1.00 0.00 C ATOM 0 H LEU A 16 -13.840 5.475 7.515 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.921 4.149 5.643 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.698 5.647 7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -11.410 4.645 8.624 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.366 2.617 7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.711 2.894 5.788 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.334 3.407 5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.109 4.626 5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.014 3.186 8.165 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.415 4.918 8.080 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.140 3.898 9.345 1.00 0.00 H new ATOM 273 N THR A 17 -14.212 2.925 6.728 1.00 0.00 N ATOM 274 CA THR A 17 -14.979 1.719 7.152 1.00 0.00 C ATOM 275 C THR A 17 -14.200 0.446 6.789 1.00 0.00 C ATOM 276 O THR A 17 -14.035 -0.429 7.615 1.00 0.00 O ATOM 277 CB THR A 17 -16.313 1.779 6.392 1.00 0.00 C ATOM 278 OG1 THR A 17 -16.383 2.977 5.631 1.00 0.00 O ATOM 279 CG2 THR A 17 -17.472 1.739 7.389 1.00 0.00 C ATOM 0 H THR A 17 -14.717 3.573 6.123 1.00 0.00 H new ATOM 0 HA THR A 17 -15.142 1.699 8.230 1.00 0.00 H new ATOM 0 HB THR A 17 -16.380 0.923 5.720 1.00 0.00 H new ATOM 0 HG1 THR A 17 -17.235 3.008 5.148 1.00 0.00 H new ATOM 0 HG21 THR A 17 -18.418 1.782 6.849 1.00 0.00 H new ATOM 0 HG22 THR A 17 -17.424 0.815 7.965 1.00 0.00 H new ATOM 0 HG23 THR A 17 -17.401 2.592 8.064 1.00 0.00 H new ATOM 287 N PRO A 18 -13.735 0.381 5.561 1.00 0.00 N ATOM 288 CA PRO A 18 -12.966 -0.786 5.100 1.00 0.00 C ATOM 289 C PRO A 18 -11.475 -0.537 5.309 1.00 0.00 C ATOM 290 O PRO A 18 -10.811 0.033 4.465 1.00 0.00 O ATOM 291 CB PRO A 18 -13.294 -0.846 3.615 1.00 0.00 C ATOM 292 CG PRO A 18 -13.670 0.559 3.223 1.00 0.00 C ATOM 293 CD PRO A 18 -13.876 1.364 4.488 1.00 0.00 C ATOM 0 HA PRO A 18 -13.206 -1.708 5.629 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.438 -1.197 3.039 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.113 -1.539 3.423 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.886 1.006 2.612 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.580 0.556 2.622 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -13.138 2.161 4.578 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -14.859 1.835 4.505 1.00 0.00 H new ATOM 301 N VAL A 19 -10.945 -0.949 6.424 1.00 0.00 N ATOM 302 CA VAL A 19 -9.494 -0.719 6.675 1.00 0.00 C ATOM 303 C VAL A 19 -8.659 -1.851 6.077 1.00 0.00 C ATOM 304 O VAL A 19 -7.446 -1.789 6.027 1.00 0.00 O ATOM 305 CB VAL A 19 -9.348 -0.685 8.198 1.00 0.00 C ATOM 306 CG1 VAL A 19 -7.884 -0.425 8.573 1.00 0.00 C ATOM 307 CG2 VAL A 19 -10.229 0.426 8.775 1.00 0.00 C ATOM 0 H VAL A 19 -11.448 -1.432 7.169 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.143 0.204 6.214 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.660 -1.645 8.609 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.785 -0.402 9.658 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.258 -1.220 8.169 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.567 0.532 8.159 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.123 0.448 9.860 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.922 1.386 8.361 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.271 0.236 8.516 1.00 0.00 H new ATOM 317 N ARG A 20 -9.309 -2.880 5.628 1.00 0.00 N ATOM 318 CA ARG A 20 -8.585 -4.043 5.025 1.00 0.00 C ATOM 319 C ARG A 20 -7.551 -3.573 3.992 1.00 0.00 C ATOM 320 O ARG A 20 -6.513 -4.184 3.823 1.00 0.00 O ATOM 321 CB ARG A 20 -9.675 -4.877 4.343 1.00 0.00 C ATOM 322 CG ARG A 20 -10.597 -3.965 3.526 1.00 0.00 C ATOM 323 CD ARG A 20 -11.333 -4.793 2.470 1.00 0.00 C ATOM 324 NE ARG A 20 -11.649 -3.830 1.379 1.00 0.00 N ATOM 325 CZ ARG A 20 -12.871 -3.395 1.225 1.00 0.00 C ATOM 326 NH1 ARG A 20 -13.876 -4.221 1.328 1.00 0.00 N ATOM 327 NH2 ARG A 20 -13.086 -2.135 0.967 1.00 0.00 N ATOM 0 H ARG A 20 -10.324 -2.973 5.650 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.036 -4.610 5.777 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.220 -5.624 3.693 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.254 -5.417 5.092 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.315 -3.474 4.183 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.015 -3.179 3.045 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.712 -5.612 2.107 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.240 -5.238 2.879 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.911 -3.510 0.752 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.707 -5.207 1.529 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.830 -3.881 1.208 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.300 -1.490 0.886 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -14.040 -1.795 0.847 1.00 0.00 H new ATOM 341 N ASP A 21 -7.823 -2.497 3.302 1.00 0.00 N ATOM 342 CA ASP A 21 -6.851 -2.000 2.284 1.00 0.00 C ATOM 343 C ASP A 21 -5.685 -1.300 2.966 1.00 0.00 C ATOM 344 O ASP A 21 -4.547 -1.400 2.550 1.00 0.00 O ATOM 345 CB ASP A 21 -7.642 -1.017 1.418 1.00 0.00 C ATOM 346 CG ASP A 21 -6.936 -0.840 0.072 1.00 0.00 C ATOM 347 OD1 ASP A 21 -5.766 -0.498 0.080 1.00 0.00 O ATOM 348 OD2 ASP A 21 -7.579 -1.049 -0.944 1.00 0.00 O ATOM 0 H ASP A 21 -8.673 -1.942 3.399 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.428 -2.810 1.690 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.656 -1.387 1.263 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.727 -0.056 1.925 1.00 0.00 H new ATOM 353 N GLU A 22 -5.972 -0.595 4.009 1.00 0.00 N ATOM 354 CA GLU A 22 -4.909 0.128 4.751 1.00 0.00 C ATOM 355 C GLU A 22 -4.104 -0.849 5.610 1.00 0.00 C ATOM 356 O GLU A 22 -2.901 -0.729 5.740 1.00 0.00 O ATOM 357 CB GLU A 22 -5.649 1.139 5.626 1.00 0.00 C ATOM 358 CG GLU A 22 -6.294 2.211 4.740 1.00 0.00 C ATOM 359 CD GLU A 22 -5.765 3.593 5.134 1.00 0.00 C ATOM 360 OE1 GLU A 22 -4.579 3.697 5.399 1.00 0.00 O ATOM 361 OE2 GLU A 22 -6.555 4.521 5.164 1.00 0.00 O ATOM 0 H GLU A 22 -6.912 -0.484 4.389 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.199 0.617 4.083 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.413 0.633 6.217 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.957 1.602 6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.072 2.012 3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.378 2.182 4.848 1.00 0.00 H new ATOM 368 N GLU A 23 -4.760 -1.814 6.199 1.00 0.00 N ATOM 369 CA GLU A 23 -4.034 -2.800 7.052 1.00 0.00 C ATOM 370 C GLU A 23 -3.071 -3.630 6.198 1.00 0.00 C ATOM 371 O GLU A 23 -1.950 -3.889 6.585 1.00 0.00 O ATOM 372 CB GLU A 23 -5.126 -3.691 7.649 1.00 0.00 C ATOM 373 CG GLU A 23 -4.789 -4.006 9.108 1.00 0.00 C ATOM 374 CD GLU A 23 -6.079 -4.077 9.927 1.00 0.00 C ATOM 375 OE1 GLU A 23 -6.883 -4.954 9.656 1.00 0.00 O ATOM 376 OE2 GLU A 23 -6.241 -3.253 10.811 1.00 0.00 O ATOM 0 H GLU A 23 -5.767 -1.962 6.126 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.437 -2.316 7.825 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.092 -3.190 7.588 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.209 -4.615 7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.253 -4.953 9.172 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.130 -3.238 9.514 1.00 0.00 H new ATOM 383 N SER A 24 -3.503 -4.046 5.036 1.00 0.00 N ATOM 384 CA SER A 24 -2.614 -4.857 4.154 1.00 0.00 C ATOM 385 C SER A 24 -1.473 -3.991 3.619 1.00 0.00 C ATOM 386 O SER A 24 -0.330 -4.405 3.585 1.00 0.00 O ATOM 387 CB SER A 24 -3.510 -5.331 3.011 1.00 0.00 C ATOM 388 OG SER A 24 -3.930 -6.665 3.264 1.00 0.00 O ATOM 0 H SER A 24 -4.433 -3.859 4.660 1.00 0.00 H new ATOM 0 HA SER A 24 -2.158 -5.693 4.684 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.377 -4.676 2.918 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.970 -5.281 2.066 1.00 0.00 H new ATOM 0 HG SER A 24 -4.506 -6.971 2.533 1.00 0.00 H new ATOM 394 N GLU A 25 -1.773 -2.790 3.202 1.00 0.00 N ATOM 395 CA GLU A 25 -0.705 -1.893 2.670 1.00 0.00 C ATOM 396 C GLU A 25 0.179 -1.394 3.815 1.00 0.00 C ATOM 397 O GLU A 25 1.386 -1.321 3.694 1.00 0.00 O ATOM 398 CB GLU A 25 -1.450 -0.727 2.017 1.00 0.00 C ATOM 399 CG GLU A 25 -1.546 -0.963 0.509 1.00 0.00 C ATOM 400 CD GLU A 25 -2.837 -0.338 -0.025 1.00 0.00 C ATOM 401 OE1 GLU A 25 -3.172 0.748 0.418 1.00 0.00 O ATOM 402 OE2 GLU A 25 -3.467 -0.956 -0.867 1.00 0.00 O ATOM 0 H GLU A 25 -2.712 -2.391 3.207 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.052 -2.402 1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.448 -0.634 2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.929 0.209 2.217 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.683 -0.526 0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.532 -2.032 0.296 1.00 0.00 H new ATOM 409 N SER A 26 -0.415 -1.051 4.928 1.00 0.00 N ATOM 410 CA SER A 26 0.390 -0.558 6.084 1.00 0.00 C ATOM 411 C SER A 26 1.358 -1.648 6.551 1.00 0.00 C ATOM 412 O SER A 26 2.481 -1.374 6.926 1.00 0.00 O ATOM 413 CB SER A 26 -0.629 -0.241 7.177 1.00 0.00 C ATOM 414 OG SER A 26 -1.358 0.924 6.816 1.00 0.00 O ATOM 0 H SER A 26 -1.422 -1.091 5.086 1.00 0.00 H new ATOM 0 HA SER A 26 0.990 0.315 5.827 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.309 -1.082 7.311 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.122 -0.086 8.129 1.00 0.00 H new ATOM 0 HG SER A 26 -2.193 0.664 6.374 1.00 0.00 H new ATOM 420 N GLN A 27 0.930 -2.882 6.528 1.00 0.00 N ATOM 421 CA GLN A 27 1.827 -3.991 6.969 1.00 0.00 C ATOM 422 C GLN A 27 2.980 -4.158 5.976 1.00 0.00 C ATOM 423 O GLN A 27 4.131 -4.259 6.358 1.00 0.00 O ATOM 424 CB GLN A 27 0.944 -5.242 6.986 1.00 0.00 C ATOM 425 CG GLN A 27 0.665 -5.654 8.432 1.00 0.00 C ATOM 426 CD GLN A 27 -0.417 -6.735 8.458 1.00 0.00 C ATOM 427 OE1 GLN A 27 -1.527 -6.509 8.020 1.00 0.00 O ATOM 428 NE2 GLN A 27 -0.139 -7.909 8.955 1.00 0.00 N ATOM 0 H GLN A 27 0.000 -3.170 6.224 1.00 0.00 H new ATOM 0 HA GLN A 27 2.271 -3.799 7.946 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.006 -5.045 6.466 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.438 -6.055 6.454 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.577 -6.027 8.897 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.343 -4.789 9.012 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.793 -8.099 9.323 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.854 -8.636 8.976 1.00 0.00 H new ATOM 437 N ARG A 28 2.681 -4.187 4.705 1.00 0.00 N ATOM 438 CA ARG A 28 3.759 -4.346 3.685 1.00 0.00 C ATOM 439 C ARG A 28 4.585 -3.061 3.588 1.00 0.00 C ATOM 440 O ARG A 28 5.780 -3.095 3.369 1.00 0.00 O ATOM 441 CB ARG A 28 3.029 -4.616 2.369 1.00 0.00 C ATOM 442 CG ARG A 28 3.818 -5.637 1.547 1.00 0.00 C ATOM 443 CD ARG A 28 3.549 -5.413 0.058 1.00 0.00 C ATOM 444 NE ARG A 28 4.508 -4.349 -0.350 1.00 0.00 N ATOM 445 CZ ARG A 28 4.903 -4.267 -1.592 1.00 0.00 C ATOM 446 NH1 ARG A 28 5.860 -5.042 -2.025 1.00 0.00 N ATOM 447 NH2 ARG A 28 4.339 -3.412 -2.401 1.00 0.00 N ATOM 0 H ARG A 28 1.736 -4.107 4.328 1.00 0.00 H new ATOM 0 HA ARG A 28 4.449 -5.151 3.937 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.025 -4.991 2.568 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.917 -3.689 1.806 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.884 -5.540 1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.529 -6.649 1.831 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.707 -6.327 -0.514 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.518 -5.103 -0.115 1.00 0.00 H new ATOM 0 HE ARG A 28 4.856 -3.684 0.341 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.299 -5.712 -1.393 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.169 -4.978 -2.995 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.590 -2.808 -2.063 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.647 -3.348 -3.371 1.00 0.00 H new ATOM 461 N LYS A 29 3.956 -1.926 3.750 1.00 0.00 N ATOM 462 CA LYS A 29 4.705 -0.638 3.669 1.00 0.00 C ATOM 463 C LYS A 29 5.781 -0.584 4.758 1.00 0.00 C ATOM 464 O LYS A 29 6.935 -0.317 4.488 1.00 0.00 O ATOM 465 CB LYS A 29 3.654 0.451 3.900 1.00 0.00 C ATOM 466 CG LYS A 29 4.285 1.826 3.670 1.00 0.00 C ATOM 467 CD LYS A 29 3.222 2.793 3.145 1.00 0.00 C ATOM 468 CE LYS A 29 3.859 3.757 2.140 1.00 0.00 C ATOM 469 NZ LYS A 29 3.574 3.162 0.805 1.00 0.00 N ATOM 0 H LYS A 29 2.957 -1.836 3.935 1.00 0.00 H new ATOM 0 HA LYS A 29 5.213 -0.516 2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.812 0.308 3.223 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.262 0.384 4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.708 2.204 4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.105 1.747 2.956 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.413 2.238 2.670 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.783 3.351 3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.433 4.756 2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.932 3.852 2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.979 3.766 0.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.998 2.214 0.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.545 3.090 0.670 1.00 0.00 H new ATOM 483 N ALA A 30 5.409 -0.839 5.984 1.00 0.00 N ATOM 484 CA ALA A 30 6.410 -0.807 7.092 1.00 0.00 C ATOM 485 C ALA A 30 7.510 -1.840 6.837 1.00 0.00 C ATOM 486 O ALA A 30 8.682 -1.569 7.013 1.00 0.00 O ATOM 487 CB ALA A 30 5.621 -1.162 8.352 1.00 0.00 C ATOM 0 H ALA A 30 4.456 -1.068 6.267 1.00 0.00 H new ATOM 0 HA ALA A 30 6.899 0.163 7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.290 -1.159 9.213 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.830 -0.428 8.505 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.180 -2.152 8.238 1.00 0.00 H new ATOM 493 N ARG A 31 7.141 -3.022 6.422 1.00 0.00 N ATOM 494 CA ARG A 31 8.163 -4.075 6.152 1.00 0.00 C ATOM 495 C ARG A 31 8.962 -3.722 4.894 1.00 0.00 C ATOM 496 O ARG A 31 10.157 -3.937 4.825 1.00 0.00 O ATOM 497 CB ARG A 31 7.363 -5.362 5.937 1.00 0.00 C ATOM 498 CG ARG A 31 8.065 -6.526 6.641 1.00 0.00 C ATOM 499 CD ARG A 31 7.062 -7.656 6.882 1.00 0.00 C ATOM 500 NE ARG A 31 7.273 -8.604 5.754 1.00 0.00 N ATOM 501 CZ ARG A 31 6.848 -8.302 4.557 1.00 0.00 C ATOM 502 NH1 ARG A 31 5.608 -7.940 4.377 1.00 0.00 N ATOM 503 NH2 ARG A 31 7.664 -8.360 3.540 1.00 0.00 N ATOM 0 H ARG A 31 6.175 -3.304 6.258 1.00 0.00 H new ATOM 0 HA ARG A 31 8.879 -4.175 6.968 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.352 -5.244 6.328 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.270 -5.571 4.871 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.895 -6.886 6.033 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.486 -6.191 7.589 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.236 -8.140 7.843 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.039 -7.280 6.896 1.00 0.00 H new ATOM 0 HE ARG A 31 7.750 -9.491 5.916 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.970 -7.893 5.171 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.276 -7.704 3.442 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.634 -8.641 3.680 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.331 -8.124 2.605 1.00 0.00 H new ATOM 517 N SER A 32 8.309 -3.181 3.901 1.00 0.00 N ATOM 518 CA SER A 32 9.026 -2.811 2.645 1.00 0.00 C ATOM 519 C SER A 32 9.880 -1.562 2.875 1.00 0.00 C ATOM 520 O SER A 32 10.972 -1.442 2.354 1.00 0.00 O ATOM 521 CB SER A 32 7.924 -2.528 1.626 1.00 0.00 C ATOM 522 OG SER A 32 8.510 -2.063 0.417 1.00 0.00 O ATOM 0 H SER A 32 7.309 -2.979 3.905 1.00 0.00 H new ATOM 0 HA SER A 32 9.699 -3.599 2.306 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.345 -3.432 1.439 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.232 -1.783 2.019 1.00 0.00 H new ATOM 0 HG SER A 32 7.805 -1.882 -0.240 1.00 0.00 H new ATOM 528 N ARG A 33 9.391 -0.634 3.651 1.00 0.00 N ATOM 529 CA ARG A 33 10.175 0.609 3.916 1.00 0.00 C ATOM 530 C ARG A 33 11.451 0.269 4.692 1.00 0.00 C ATOM 531 O ARG A 33 12.487 0.873 4.495 1.00 0.00 O ATOM 532 CB ARG A 33 9.253 1.491 4.760 1.00 0.00 C ATOM 533 CG ARG A 33 9.785 2.926 4.771 1.00 0.00 C ATOM 534 CD ARG A 33 8.825 3.823 5.554 1.00 0.00 C ATOM 535 NE ARG A 33 9.445 3.968 6.900 1.00 0.00 N ATOM 536 CZ ARG A 33 10.045 5.081 7.226 1.00 0.00 C ATOM 537 NH1 ARG A 33 11.004 5.548 6.476 1.00 0.00 N ATOM 538 NH2 ARG A 33 9.683 5.726 8.301 1.00 0.00 N ATOM 0 H ARG A 33 8.483 -0.681 4.114 1.00 0.00 H new ATOM 0 HA ARG A 33 10.482 1.108 2.997 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.242 1.470 4.354 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.196 1.106 5.778 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.776 2.954 5.224 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.891 3.293 3.750 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.705 4.791 5.068 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.833 3.375 5.622 1.00 0.00 H new ATOM 0 HE ARG A 33 9.401 3.198 7.567 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.285 5.044 5.635 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.473 6.417 6.730 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.932 5.361 8.886 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.151 6.595 8.556 1.00 0.00 H new ATOM 552 N GLN A 34 11.382 -0.696 5.571 1.00 0.00 N ATOM 553 CA GLN A 34 12.589 -1.079 6.359 1.00 0.00 C ATOM 554 C GLN A 34 13.576 -1.846 5.474 1.00 0.00 C ATOM 555 O GLN A 34 14.777 -1.698 5.594 1.00 0.00 O ATOM 556 CB GLN A 34 12.065 -1.977 7.481 1.00 0.00 C ATOM 557 CG GLN A 34 13.214 -2.342 8.422 1.00 0.00 C ATOM 558 CD GLN A 34 12.678 -3.189 9.578 1.00 0.00 C ATOM 559 OE1 GLN A 34 13.157 -4.278 9.821 1.00 0.00 O ATOM 560 NE2 GLN A 34 11.695 -2.731 10.304 1.00 0.00 N ATOM 0 H GLN A 34 10.541 -1.235 5.777 1.00 0.00 H new ATOM 0 HA GLN A 34 13.119 -0.210 6.749 1.00 0.00 H new ATOM 0 HB2 GLN A 34 11.277 -1.464 8.033 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.624 -2.881 7.061 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.982 -2.893 7.879 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.684 -1.437 8.808 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.293 -1.816 10.099 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.329 -3.288 11.076 1.00 0.00 H new ATOM 569 N ALA A 35 13.077 -2.666 4.586 1.00 0.00 N ATOM 570 CA ALA A 35 13.986 -3.443 3.691 1.00 0.00 C ATOM 571 C ALA A 35 14.727 -2.497 2.742 1.00 0.00 C ATOM 572 O ALA A 35 15.936 -2.540 2.627 1.00 0.00 O ATOM 573 CB ALA A 35 13.067 -4.379 2.905 1.00 0.00 C ATOM 0 H ALA A 35 12.081 -2.831 4.442 1.00 0.00 H new ATOM 0 HA ALA A 35 14.744 -3.992 4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 35 13.663 -4.986 2.223 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.533 -5.030 3.597 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.350 -3.790 2.334 1.00 0.00 H new ATOM 579 N ARG A 36 14.008 -1.641 2.064 1.00 0.00 N ATOM 580 CA ARG A 36 14.669 -0.689 1.122 1.00 0.00 C ATOM 581 C ARG A 36 15.638 0.218 1.886 1.00 0.00 C ATOM 582 O ARG A 36 16.687 0.579 1.389 1.00 0.00 O ATOM 583 CB ARG A 36 13.527 0.132 0.517 1.00 0.00 C ATOM 584 CG ARG A 36 13.260 -0.333 -0.919 1.00 0.00 C ATOM 585 CD ARG A 36 11.759 -0.559 -1.115 1.00 0.00 C ATOM 586 NE ARG A 36 11.664 -1.721 -2.043 1.00 0.00 N ATOM 587 CZ ARG A 36 11.504 -2.925 -1.567 1.00 0.00 C ATOM 588 NH1 ARG A 36 12.197 -3.317 -0.532 1.00 0.00 N ATOM 589 NH2 ARG A 36 10.650 -3.739 -2.126 1.00 0.00 N ATOM 0 H ARG A 36 12.993 -1.560 2.121 1.00 0.00 H new ATOM 0 HA ARG A 36 15.249 -1.202 0.355 1.00 0.00 H new ATOM 0 HB2 ARG A 36 12.626 0.018 1.120 1.00 0.00 H new ATOM 0 HB3 ARG A 36 13.784 1.191 0.525 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.621 0.413 -1.627 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.806 -1.254 -1.121 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.264 -0.769 -0.167 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.278 0.324 -1.537 1.00 0.00 H new ATOM 0 HE ARG A 36 11.724 -1.575 -3.051 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.864 -2.682 -0.095 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.071 -4.259 -0.161 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.108 -3.433 -2.934 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.524 -4.681 -1.754 1.00 0.00 H new ATOM 603 N GLN A 37 15.293 0.588 3.090 1.00 0.00 N ATOM 604 CA GLN A 37 16.191 1.472 3.889 1.00 0.00 C ATOM 605 C GLN A 37 17.404 0.681 4.387 1.00 0.00 C ATOM 606 O GLN A 37 18.518 1.167 4.381 1.00 0.00 O ATOM 607 CB GLN A 37 15.340 1.945 5.068 1.00 0.00 C ATOM 608 CG GLN A 37 14.642 3.256 4.700 1.00 0.00 C ATOM 609 CD GLN A 37 13.741 3.697 5.856 1.00 0.00 C ATOM 610 OE1 GLN A 37 12.889 2.952 6.295 1.00 0.00 O ATOM 611 NE2 GLN A 37 13.896 4.886 6.370 1.00 0.00 N ATOM 0 H GLN A 37 14.427 0.316 3.556 1.00 0.00 H new ATOM 0 HA GLN A 37 16.574 2.308 3.303 1.00 0.00 H new ATOM 0 HB2 GLN A 37 14.600 1.186 5.324 1.00 0.00 H new ATOM 0 HB3 GLN A 37 15.967 2.089 5.948 1.00 0.00 H new ATOM 0 HG2 GLN A 37 15.382 4.027 4.487 1.00 0.00 H new ATOM 0 HG3 GLN A 37 14.051 3.124 3.794 1.00 0.00 H new ATOM 0 HE21 GLN A 37 14.612 5.512 6.001 1.00 0.00 H new ATOM 0 HE22 GLN A 37 13.301 5.190 7.141 1.00 0.00 H new ATOM 620 N SER A 38 17.195 -0.535 4.817 1.00 0.00 N ATOM 621 CA SER A 38 18.334 -1.360 5.315 1.00 0.00 C ATOM 622 C SER A 38 19.356 -1.579 4.196 1.00 0.00 C ATOM 623 O SER A 38 20.542 -1.382 4.378 1.00 0.00 O ATOM 624 CB SER A 38 17.710 -2.688 5.740 1.00 0.00 C ATOM 625 OG SER A 38 17.049 -2.519 6.987 1.00 0.00 O ATOM 0 H SER A 38 16.284 -0.993 4.845 1.00 0.00 H new ATOM 0 HA SER A 38 18.862 -0.879 6.138 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.003 -3.029 4.984 1.00 0.00 H new ATOM 0 HB3 SER A 38 18.480 -3.454 5.825 1.00 0.00 H new ATOM 0 HG SER A 38 16.129 -2.219 6.832 1.00 0.00 H new ATOM 631 N ARG A 39 18.904 -1.986 3.040 1.00 0.00 N ATOM 632 CA ARG A 39 19.848 -2.218 1.907 1.00 0.00 C ATOM 633 C ARG A 39 20.541 -0.908 1.524 1.00 0.00 C ATOM 634 O ARG A 39 21.711 -0.888 1.192 1.00 0.00 O ATOM 635 CB ARG A 39 18.975 -2.721 0.755 1.00 0.00 C ATOM 636 CG ARG A 39 19.078 -4.245 0.661 1.00 0.00 C ATOM 637 CD ARG A 39 20.129 -4.624 -0.386 1.00 0.00 C ATOM 638 NE ARG A 39 20.169 -6.113 -0.366 1.00 0.00 N ATOM 639 CZ ARG A 39 21.315 -6.735 -0.426 1.00 0.00 C ATOM 640 NH1 ARG A 39 22.249 -6.469 0.447 1.00 0.00 N ATOM 641 NH2 ARG A 39 21.527 -7.623 -1.358 1.00 0.00 N ATOM 0 H ARG A 39 17.922 -2.168 2.831 1.00 0.00 H new ATOM 0 HA ARG A 39 20.632 -2.931 2.162 1.00 0.00 H new ATOM 0 HB2 ARG A 39 17.938 -2.426 0.915 1.00 0.00 H new ATOM 0 HB3 ARG A 39 19.295 -2.266 -0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 39 19.349 -4.662 1.631 1.00 0.00 H new ATOM 0 HG3 ARG A 39 18.111 -4.669 0.391 1.00 0.00 H new ATOM 0 HD2 ARG A 39 19.857 -4.249 -1.373 1.00 0.00 H new ATOM 0 HD3 ARG A 39 21.102 -4.199 -0.141 1.00 0.00 H new ATOM 0 HE ARG A 39 19.302 -6.646 -0.305 1.00 0.00 H new ATOM 0 HH11 ARG A 39 22.083 -5.775 1.176 1.00 0.00 H new ATOM 0 HH12 ARG A 39 23.144 -6.955 0.400 1.00 0.00 H new ATOM 0 HH21 ARG A 39 20.797 -7.831 -2.040 1.00 0.00 H new ATOM 0 HH22 ARG A 39 22.422 -8.109 -1.405 1.00 0.00 H new ATOM 655 N ARG A 40 19.828 0.186 1.569 1.00 0.00 N ATOM 656 CA ARG A 40 20.446 1.497 1.210 1.00 0.00 C ATOM 657 C ARG A 40 21.458 1.911 2.282 1.00 0.00 C ATOM 658 O ARG A 40 22.527 2.405 1.981 1.00 0.00 O ATOM 659 CB ARG A 40 19.280 2.485 1.161 1.00 0.00 C ATOM 660 CG ARG A 40 19.682 3.709 0.336 1.00 0.00 C ATOM 661 CD ARG A 40 18.752 4.878 0.669 1.00 0.00 C ATOM 662 NE ARG A 40 19.464 5.646 1.727 1.00 0.00 N ATOM 663 CZ ARG A 40 18.947 5.745 2.921 1.00 0.00 C ATOM 664 NH1 ARG A 40 17.713 6.141 3.068 1.00 0.00 N ATOM 665 NH2 ARG A 40 19.666 5.447 3.970 1.00 0.00 N ATOM 0 H ARG A 40 18.845 0.229 1.839 1.00 0.00 H new ATOM 0 HA ARG A 40 20.984 1.457 0.263 1.00 0.00 H new ATOM 0 HB2 ARG A 40 18.404 2.008 0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 40 19.004 2.789 2.171 1.00 0.00 H new ATOM 0 HG2 ARG A 40 20.716 3.981 0.549 1.00 0.00 H new ATOM 0 HG3 ARG A 40 19.626 3.478 -0.728 1.00 0.00 H new ATOM 0 HD2 ARG A 40 18.565 5.496 -0.209 1.00 0.00 H new ATOM 0 HD3 ARG A 40 17.784 4.524 1.022 1.00 0.00 H new ATOM 0 HE ARG A 40 20.356 6.095 1.519 1.00 0.00 H new ATOM 0 HH11 ARG A 40 17.151 6.374 2.249 1.00 0.00 H new ATOM 0 HH12 ARG A 40 17.310 6.218 4.002 1.00 0.00 H new ATOM 0 HH21 ARG A 40 20.631 5.137 3.856 1.00 0.00 H new ATOM 0 HH22 ARG A 40 19.262 5.524 4.904 1.00 0.00 H new ATOM 679 N SER A 41 21.127 1.711 3.529 1.00 0.00 N ATOM 680 CA SER A 41 22.069 2.089 4.624 1.00 0.00 C ATOM 681 C SER A 41 23.349 1.258 4.523 1.00 0.00 C ATOM 682 O SER A 41 24.434 1.788 4.389 1.00 0.00 O ATOM 683 CB SER A 41 21.325 1.760 5.915 1.00 0.00 C ATOM 684 OG SER A 41 21.468 2.839 6.829 1.00 0.00 O ATOM 0 H SER A 41 20.245 1.302 3.838 1.00 0.00 H new ATOM 0 HA SER A 41 22.361 3.138 4.576 1.00 0.00 H new ATOM 0 HB2 SER A 41 20.270 1.584 5.705 1.00 0.00 H new ATOM 0 HB3 SER A 41 21.720 0.843 6.352 1.00 0.00 H new ATOM 0 HG SER A 41 20.989 2.631 7.658 1.00 0.00 H new ATOM 690 N THR A 42 23.226 -0.042 4.575 1.00 0.00 N ATOM 691 CA THR A 42 24.434 -0.913 4.470 1.00 0.00 C ATOM 692 C THR A 42 25.180 -0.598 3.172 1.00 0.00 C ATOM 693 O THR A 42 26.380 -0.760 3.074 1.00 0.00 O ATOM 694 CB THR A 42 23.899 -2.347 4.446 1.00 0.00 C ATOM 695 OG1 THR A 42 23.050 -2.515 3.319 1.00 0.00 O ATOM 696 CG2 THR A 42 23.109 -2.626 5.728 1.00 0.00 C ATOM 0 H THR A 42 22.342 -0.538 4.686 1.00 0.00 H new ATOM 0 HA THR A 42 25.131 -0.760 5.294 1.00 0.00 H new ATOM 0 HB THR A 42 24.735 -3.043 4.381 1.00 0.00 H new ATOM 0 HG1 THR A 42 22.160 -2.160 3.524 1.00 0.00 H new ATOM 0 HG21 THR A 42 22.730 -3.648 5.707 1.00 0.00 H new ATOM 0 HG22 THR A 42 23.761 -2.499 6.592 1.00 0.00 H new ATOM 0 HG23 THR A 42 22.273 -1.930 5.799 1.00 0.00 H new ATOM 704 N GLN A 43 24.465 -0.142 2.177 1.00 0.00 N ATOM 705 CA GLN A 43 25.104 0.199 0.873 1.00 0.00 C ATOM 706 C GLN A 43 25.885 -1.002 0.329 1.00 0.00 C ATOM 707 O GLN A 43 25.696 -2.123 0.757 1.00 0.00 O ATOM 708 CB GLN A 43 26.049 1.366 1.177 1.00 0.00 C ATOM 709 CG GLN A 43 25.483 2.655 0.576 1.00 0.00 C ATOM 710 CD GLN A 43 25.638 2.620 -0.945 1.00 0.00 C ATOM 711 OE1 GLN A 43 24.829 2.034 -1.637 1.00 0.00 O ATOM 712 NE2 GLN A 43 26.651 3.228 -1.500 1.00 0.00 N ATOM 0 H GLN A 43 23.457 0.010 2.213 1.00 0.00 H new ATOM 0 HA GLN A 43 24.367 0.464 0.115 1.00 0.00 H new ATOM 0 HB2 GLN A 43 26.170 1.478 2.254 1.00 0.00 H new ATOM 0 HB3 GLN A 43 27.037 1.164 0.764 1.00 0.00 H new ATOM 0 HG2 GLN A 43 24.432 2.762 0.843 1.00 0.00 H new ATOM 0 HG3 GLN A 43 26.005 3.520 0.986 1.00 0.00 H new ATOM 0 HE21 GLN A 43 27.331 3.720 -0.920 1.00 0.00 H new ATOM 0 HE22 GLN A 43 26.763 3.211 -2.514 1.00 0.00 H new ATOM 721 N GLY A 44 26.761 -0.773 -0.614 1.00 0.00 N ATOM 722 CA GLY A 44 27.555 -1.896 -1.190 1.00 0.00 C ATOM 723 C GLY A 44 28.738 -2.220 -0.273 1.00 0.00 C ATOM 724 O GLY A 44 29.285 -3.303 -0.321 1.00 0.00 O ATOM 0 H GLY A 44 26.960 0.145 -1.010 1.00 0.00 H new ATOM 0 HA2 GLY A 44 26.923 -2.776 -1.309 1.00 0.00 H new ATOM 0 HA3 GLY A 44 27.916 -1.627 -2.183 1.00 0.00 H new ATOM 728 N VAL A 45 29.139 -1.282 0.555 1.00 0.00 N ATOM 729 CA VAL A 45 30.294 -1.508 1.492 1.00 0.00 C ATOM 730 C VAL A 45 31.628 -1.567 0.732 1.00 0.00 C ATOM 731 O VAL A 45 32.686 -1.512 1.328 1.00 0.00 O ATOM 732 CB VAL A 45 30.025 -2.844 2.198 1.00 0.00 C ATOM 733 CG1 VAL A 45 30.979 -2.993 3.384 1.00 0.00 C ATOM 734 CG2 VAL A 45 28.580 -2.882 2.705 1.00 0.00 C ATOM 0 H VAL A 45 28.712 -0.358 0.624 1.00 0.00 H new ATOM 0 HA VAL A 45 30.375 -0.687 2.204 1.00 0.00 H new ATOM 0 HB VAL A 45 30.182 -3.660 1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 45 30.789 -3.941 3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 45 32.009 -2.971 3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 45 30.820 -2.173 4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 45 28.395 -3.833 3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 45 28.419 -2.065 3.408 1.00 0.00 H new ATOM 0 HG23 VAL A 45 27.896 -2.776 1.863 1.00 0.00 H new ATOM 744 N THR A 46 31.597 -1.675 -0.572 1.00 0.00 N ATOM 745 CA THR A 46 32.870 -1.733 -1.353 1.00 0.00 C ATOM 746 C THR A 46 33.772 -2.852 -0.822 1.00 0.00 C ATOM 747 O THR A 46 34.981 -2.798 -0.944 1.00 0.00 O ATOM 748 CB THR A 46 33.530 -0.367 -1.146 1.00 0.00 C ATOM 749 OG1 THR A 46 32.539 0.649 -1.198 1.00 0.00 O ATOM 750 CG2 THR A 46 34.568 -0.128 -2.242 1.00 0.00 C ATOM 0 H THR A 46 30.745 -1.726 -1.130 1.00 0.00 H new ATOM 0 HA THR A 46 32.694 -1.944 -2.408 1.00 0.00 H new ATOM 0 HB THR A 46 34.022 -0.345 -0.174 1.00 0.00 H new ATOM 0 HG1 THR A 46 32.960 1.524 -1.064 1.00 0.00 H new ATOM 0 HG21 THR A 46 35.037 0.845 -2.093 1.00 0.00 H new ATOM 0 HG22 THR A 46 35.328 -0.908 -2.199 1.00 0.00 H new ATOM 0 HG23 THR A 46 34.080 -0.150 -3.216 1.00 0.00 H new ATOM 758 N LEU A 47 33.192 -3.866 -0.235 1.00 0.00 N ATOM 759 CA LEU A 47 34.014 -4.989 0.304 1.00 0.00 C ATOM 760 C LEU A 47 33.427 -6.332 -0.140 1.00 0.00 C ATOM 761 O LEU A 47 34.139 -7.216 -0.577 1.00 0.00 O ATOM 762 CB LEU A 47 33.934 -4.843 1.827 1.00 0.00 C ATOM 763 CG LEU A 47 35.296 -4.411 2.373 1.00 0.00 C ATOM 764 CD1 LEU A 47 35.600 -2.983 1.918 1.00 0.00 C ATOM 765 CD2 LEU A 47 35.270 -4.464 3.902 1.00 0.00 C ATOM 0 H LEU A 47 32.185 -3.965 -0.106 1.00 0.00 H new ATOM 0 HA LEU A 47 35.043 -4.959 -0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 47 33.175 -4.108 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 47 33.633 -5.789 2.278 1.00 0.00 H new ATOM 0 HG LEU A 47 36.068 -5.083 1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 47 36.571 -2.676 2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 47 35.617 -2.944 0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 47 34.829 -2.310 2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 47 36.240 -4.157 4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 47 34.498 -3.792 4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 47 35.054 -5.482 4.227 1.00 0.00 H new ATOM 777 N THR A 48 32.135 -6.490 -0.033 1.00 0.00 N ATOM 778 CA THR A 48 31.502 -7.776 -0.448 1.00 0.00 C ATOM 779 C THR A 48 31.300 -7.798 -1.966 1.00 0.00 C ATOM 780 O THR A 48 31.342 -8.840 -2.591 1.00 0.00 O ATOM 781 CB THR A 48 30.153 -7.806 0.273 1.00 0.00 C ATOM 782 OG1 THR A 48 30.329 -7.382 1.618 1.00 0.00 O ATOM 783 CG2 THR A 48 29.593 -9.230 0.253 1.00 0.00 C ATOM 0 H THR A 48 31.490 -5.785 0.324 1.00 0.00 H new ATOM 0 HA THR A 48 32.117 -8.640 -0.196 1.00 0.00 H new ATOM 0 HB THR A 48 29.455 -7.138 -0.231 1.00 0.00 H new ATOM 0 HG1 THR A 48 29.466 -7.399 2.082 1.00 0.00 H new ATOM 0 HG21 THR A 48 28.632 -9.250 0.767 1.00 0.00 H new ATOM 0 HG22 THR A 48 29.459 -9.554 -0.779 1.00 0.00 H new ATOM 0 HG23 THR A 48 30.288 -9.901 0.757 1.00 0.00 H new ATOM 791 N ASP A 49 31.082 -6.657 -2.561 1.00 0.00 N ATOM 792 CA ASP A 49 30.878 -6.610 -4.039 1.00 0.00 C ATOM 793 C ASP A 49 32.207 -6.841 -4.761 1.00 0.00 C ATOM 794 O ASP A 49 32.269 -7.523 -5.766 1.00 0.00 O ATOM 795 CB ASP A 49 30.350 -5.203 -4.325 1.00 0.00 C ATOM 796 CG ASP A 49 28.821 -5.231 -4.368 1.00 0.00 C ATOM 797 OD1 ASP A 49 28.217 -5.145 -3.311 1.00 0.00 O ATOM 798 OD2 ASP A 49 28.280 -5.337 -5.456 1.00 0.00 O ATOM 0 H ASP A 49 31.036 -5.754 -2.088 1.00 0.00 H new ATOM 0 HA ASP A 49 30.189 -7.380 -4.385 1.00 0.00 H new ATOM 0 HB2 ASP A 49 30.690 -4.512 -3.554 1.00 0.00 H new ATOM 0 HB3 ASP A 49 30.745 -4.841 -5.274 1.00 0.00 H new ATOM 803 N LEU A 50 33.273 -6.281 -4.254 1.00 0.00 N ATOM 804 CA LEU A 50 34.601 -6.469 -4.909 1.00 0.00 C ATOM 805 C LEU A 50 35.050 -7.927 -4.776 1.00 0.00 C ATOM 806 O LEU A 50 35.575 -8.512 -5.703 1.00 0.00 O ATOM 807 CB LEU A 50 35.554 -5.542 -4.151 1.00 0.00 C ATOM 808 CG LEU A 50 36.506 -4.870 -5.140 1.00 0.00 C ATOM 809 CD1 LEU A 50 36.862 -3.470 -4.635 1.00 0.00 C ATOM 810 CD2 LEU A 50 37.783 -5.704 -5.265 1.00 0.00 C ATOM 0 H LEU A 50 33.282 -5.701 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 50 34.574 -6.239 -5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 50 34.987 -4.787 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 50 36.121 -6.110 -3.413 1.00 0.00 H new ATOM 0 HG LEU A 50 36.023 -4.794 -6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 50 37.541 -2.991 -5.340 1.00 0.00 H new ATOM 0 HD12 LEU A 50 35.954 -2.874 -4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 50 37.345 -3.547 -3.661 1.00 0.00 H new ATOM 0 HD21 LEU A 50 38.463 -5.225 -5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 50 38.265 -5.779 -4.290 1.00 0.00 H new ATOM 0 HD23 LEU A 50 37.532 -6.702 -5.624 1.00 0.00 H new ATOM 822 N GLN A 51 34.843 -8.517 -3.628 1.00 0.00 N ATOM 823 CA GLN A 51 35.254 -9.939 -3.433 1.00 0.00 C ATOM 824 C GLN A 51 34.411 -10.856 -4.323 1.00 0.00 C ATOM 825 O GLN A 51 34.893 -11.841 -4.847 1.00 0.00 O ATOM 826 CB GLN A 51 34.987 -10.232 -1.956 1.00 0.00 C ATOM 827 CG GLN A 51 35.458 -11.648 -1.622 1.00 0.00 C ATOM 828 CD GLN A 51 34.944 -12.044 -0.238 1.00 0.00 C ATOM 829 OE1 GLN A 51 33.935 -11.540 0.215 1.00 0.00 O ATOM 830 NE2 GLN A 51 35.598 -12.932 0.459 1.00 0.00 N ATOM 0 H GLN A 51 34.408 -8.076 -2.818 1.00 0.00 H new ATOM 0 HA GLN A 51 36.298 -10.108 -3.698 1.00 0.00 H new ATOM 0 HB2 GLN A 51 35.508 -9.507 -1.331 1.00 0.00 H new ATOM 0 HB3 GLN A 51 33.923 -10.131 -1.741 1.00 0.00 H new ATOM 0 HG2 GLN A 51 35.093 -12.350 -2.372 1.00 0.00 H new ATOM 0 HG3 GLN A 51 36.547 -11.695 -1.644 1.00 0.00 H new ATOM 0 HE21 GLN A 51 36.445 -13.355 0.080 1.00 0.00 H new ATOM 0 HE22 GLN A 51 35.262 -13.203 1.383 1.00 0.00 H new ATOM 839 N GLU A 52 33.156 -10.537 -4.497 1.00 0.00 N ATOM 840 CA GLU A 52 32.280 -11.388 -5.355 1.00 0.00 C ATOM 841 C GLU A 52 32.726 -11.297 -6.816 1.00 0.00 C ATOM 842 O GLU A 52 32.740 -12.279 -7.532 1.00 0.00 O ATOM 843 CB GLU A 52 30.874 -10.809 -5.185 1.00 0.00 C ATOM 844 CG GLU A 52 30.279 -11.295 -3.862 1.00 0.00 C ATOM 845 CD GLU A 52 29.453 -12.560 -4.107 1.00 0.00 C ATOM 846 OE1 GLU A 52 30.048 -13.618 -4.224 1.00 0.00 O ATOM 847 OE2 GLU A 52 28.240 -12.447 -4.173 1.00 0.00 O ATOM 0 H GLU A 52 32.700 -9.724 -4.082 1.00 0.00 H new ATOM 0 HA GLU A 52 32.322 -12.440 -5.074 1.00 0.00 H new ATOM 0 HB2 GLU A 52 30.913 -9.720 -5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 52 30.239 -11.117 -6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 52 31.075 -11.501 -3.147 1.00 0.00 H new ATOM 0 HG3 GLU A 52 29.652 -10.517 -3.426 1.00 0.00 H new ATOM 854 N ALA A 53 33.091 -10.125 -7.262 1.00 0.00 N ATOM 855 CA ALA A 53 33.538 -9.969 -8.678 1.00 0.00 C ATOM 856 C ALA A 53 34.803 -10.795 -8.925 1.00 0.00 C ATOM 857 O ALA A 53 34.957 -11.417 -9.957 1.00 0.00 O ATOM 858 CB ALA A 53 33.833 -8.477 -8.841 1.00 0.00 C ATOM 0 H ALA A 53 33.099 -9.269 -6.708 1.00 0.00 H new ATOM 0 HA ALA A 53 32.787 -10.315 -9.388 1.00 0.00 H new ATOM 0 HB1 ALA A 53 34.168 -8.282 -9.860 1.00 0.00 H new ATOM 0 HB2 ALA A 53 32.928 -7.903 -8.640 1.00 0.00 H new ATOM 0 HB3 ALA A 53 34.613 -8.182 -8.139 1.00 0.00 H new ATOM 864 N GLU A 54 35.707 -10.805 -7.982 1.00 0.00 N ATOM 865 CA GLU A 54 36.963 -11.592 -8.160 1.00 0.00 C ATOM 866 C GLU A 54 36.658 -13.092 -8.114 1.00 0.00 C ATOM 867 O GLU A 54 37.324 -13.889 -8.745 1.00 0.00 O ATOM 868 CB GLU A 54 37.854 -11.188 -6.983 1.00 0.00 C ATOM 869 CG GLU A 54 39.299 -11.596 -7.273 1.00 0.00 C ATOM 870 CD GLU A 54 39.993 -11.984 -5.966 1.00 0.00 C ATOM 871 OE1 GLU A 54 39.392 -12.712 -5.194 1.00 0.00 O ATOM 872 OE2 GLU A 54 41.113 -11.547 -5.760 1.00 0.00 O ATOM 0 H GLU A 54 35.631 -10.303 -7.097 1.00 0.00 H new ATOM 0 HA GLU A 54 37.442 -11.395 -9.119 1.00 0.00 H new ATOM 0 HB2 GLU A 54 37.794 -10.112 -6.821 1.00 0.00 H new ATOM 0 HB3 GLU A 54 37.506 -11.668 -6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 54 39.318 -12.434 -7.970 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.832 -10.773 -7.749 1.00 0.00 H new ATOM 879 N LYS A 55 35.656 -13.479 -7.371 1.00 0.00 N ATOM 880 CA LYS A 55 35.307 -14.928 -7.284 1.00 0.00 C ATOM 881 C LYS A 55 34.735 -15.415 -8.619 1.00 0.00 C ATOM 882 O LYS A 55 35.121 -16.448 -9.130 1.00 0.00 O ATOM 883 CB LYS A 55 34.249 -15.022 -6.179 1.00 0.00 C ATOM 884 CG LYS A 55 34.743 -15.960 -5.075 1.00 0.00 C ATOM 885 CD LYS A 55 33.544 -16.548 -4.329 1.00 0.00 C ATOM 886 CE LYS A 55 33.885 -17.959 -3.846 1.00 0.00 C ATOM 887 NZ LYS A 55 32.630 -18.741 -4.027 1.00 0.00 N ATOM 0 H LYS A 55 35.064 -12.856 -6.821 1.00 0.00 H new ATOM 0 HA LYS A 55 36.177 -15.548 -7.065 1.00 0.00 H new ATOM 0 HB2 LYS A 55 34.049 -14.033 -5.767 1.00 0.00 H new ATOM 0 HB3 LYS A 55 33.310 -15.391 -6.591 1.00 0.00 H new ATOM 0 HG2 LYS A 55 35.345 -16.760 -5.506 1.00 0.00 H new ATOM 0 HG3 LYS A 55 35.385 -15.416 -4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 55 33.284 -15.915 -3.481 1.00 0.00 H new ATOM 0 HD3 LYS A 55 32.673 -16.577 -4.984 1.00 0.00 H new ATOM 0 HE2 LYS A 55 34.704 -18.387 -4.424 1.00 0.00 H new ATOM 0 HE3 LYS A 55 34.200 -17.954 -2.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 32.784 -19.722 -3.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 31.870 -18.314 -3.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 32.358 -18.734 -5.031 1.00 0.00 H new ATOM 901 N THR A 56 33.820 -14.675 -9.187 1.00 0.00 N ATOM 902 CA THR A 56 33.223 -15.093 -10.490 1.00 0.00 C ATOM 903 C THR A 56 34.283 -15.046 -11.594 1.00 0.00 C ATOM 904 O THR A 56 34.276 -15.847 -12.509 1.00 0.00 O ATOM 905 CB THR A 56 32.114 -14.075 -10.766 1.00 0.00 C ATOM 906 OG1 THR A 56 31.235 -14.024 -9.653 1.00 0.00 O ATOM 907 CG2 THR A 56 31.336 -14.491 -12.015 1.00 0.00 C ATOM 0 H THR A 56 33.460 -13.800 -8.806 1.00 0.00 H new ATOM 0 HA THR A 56 32.839 -16.113 -10.460 1.00 0.00 H new ATOM 0 HB THR A 56 32.555 -13.091 -10.927 1.00 0.00 H new ATOM 0 HG1 THR A 56 31.564 -13.366 -9.006 1.00 0.00 H new ATOM 0 HG21 THR A 56 30.547 -13.765 -12.210 1.00 0.00 H new ATOM 0 HG22 THR A 56 32.012 -14.530 -12.869 1.00 0.00 H new ATOM 0 HG23 THR A 56 30.894 -15.475 -11.857 1.00 0.00 H new ATOM 915 N ILE A 57 35.194 -14.114 -11.513 1.00 0.00 N ATOM 916 CA ILE A 57 36.258 -14.012 -12.555 1.00 0.00 C ATOM 917 C ILE A 57 37.610 -14.424 -11.966 1.00 0.00 C ATOM 918 O ILE A 57 38.603 -13.742 -12.129 1.00 0.00 O ATOM 919 CB ILE A 57 36.275 -12.537 -12.967 1.00 0.00 C ATOM 920 CG1 ILE A 57 34.887 -12.128 -13.480 1.00 0.00 C ATOM 921 CG2 ILE A 57 37.316 -12.321 -14.071 1.00 0.00 C ATOM 922 CD1 ILE A 57 34.496 -12.998 -14.680 1.00 0.00 C ATOM 0 H ILE A 57 35.248 -13.418 -10.770 1.00 0.00 H new ATOM 0 HA ILE A 57 36.068 -14.666 -13.406 1.00 0.00 H new ATOM 0 HB ILE A 57 36.535 -11.926 -12.103 1.00 0.00 H new ATOM 0 HG12 ILE A 57 34.149 -12.237 -12.685 1.00 0.00 H new ATOM 0 HG13 ILE A 57 34.892 -11.077 -13.768 1.00 0.00 H new ATOM 0 HG21 ILE A 57 37.325 -11.271 -14.362 1.00 0.00 H new ATOM 0 HG22 ILE A 57 38.302 -12.604 -13.702 1.00 0.00 H new ATOM 0 HG23 ILE A 57 37.062 -12.934 -14.935 1.00 0.00 H new ATOM 0 HD11 ILE A 57 33.510 -12.702 -15.038 1.00 0.00 H new ATOM 0 HD12 ILE A 57 35.227 -12.867 -15.478 1.00 0.00 H new ATOM 0 HD13 ILE A 57 34.473 -14.045 -14.378 1.00 0.00 H new ATOM 934 N GLY A 58 37.654 -15.536 -11.281 1.00 0.00 N ATOM 935 CA GLY A 58 38.938 -15.996 -10.679 1.00 0.00 C ATOM 936 C GLY A 58 38.657 -17.098 -9.656 1.00 0.00 C ATOM 937 O GLY A 58 37.588 -17.674 -9.630 1.00 0.00 O ATOM 0 H GLY A 58 36.854 -16.146 -11.113 1.00 0.00 H new ATOM 0 HA2 GLY A 58 39.604 -16.369 -11.457 1.00 0.00 H new ATOM 0 HA3 GLY A 58 39.446 -15.160 -10.198 1.00 0.00 H new ATOM 941 N ARG A 59 39.611 -17.394 -8.813 1.00 0.00 N ATOM 942 CA ARG A 59 39.400 -18.460 -7.791 1.00 0.00 C ATOM 943 C ARG A 59 40.517 -18.418 -6.745 1.00 0.00 C ATOM 944 O ARG A 59 41.152 -19.415 -6.460 1.00 0.00 O ATOM 945 CB ARG A 59 39.445 -19.774 -8.571 1.00 0.00 C ATOM 946 CG ARG A 59 38.615 -20.831 -7.842 1.00 0.00 C ATOM 947 CD ARG A 59 37.999 -21.792 -8.861 1.00 0.00 C ATOM 948 NE ARG A 59 38.052 -23.129 -8.210 1.00 0.00 N ATOM 949 CZ ARG A 59 37.167 -23.451 -7.306 1.00 0.00 C ATOM 950 NH1 ARG A 59 35.895 -23.301 -7.555 1.00 0.00 N ATOM 951 NH2 ARG A 59 37.555 -23.921 -6.152 1.00 0.00 N ATOM 0 H ARG A 59 40.526 -16.944 -8.788 1.00 0.00 H new ATOM 0 HA ARG A 59 38.459 -18.337 -7.256 1.00 0.00 H new ATOM 0 HB2 ARG A 59 39.058 -19.624 -9.579 1.00 0.00 H new ATOM 0 HB3 ARG A 59 40.476 -20.113 -8.673 1.00 0.00 H new ATOM 0 HG2 ARG A 59 39.243 -21.381 -7.141 1.00 0.00 H new ATOM 0 HG3 ARG A 59 37.829 -20.352 -7.258 1.00 0.00 H new ATOM 0 HD2 ARG A 59 36.974 -21.510 -9.100 1.00 0.00 H new ATOM 0 HD3 ARG A 59 38.558 -21.786 -9.797 1.00 0.00 H new ATOM 0 HE ARG A 59 38.780 -23.794 -8.470 1.00 0.00 H new ATOM 0 HH11 ARG A 59 35.592 -22.932 -8.456 1.00 0.00 H new ATOM 0 HH12 ARG A 59 35.204 -23.553 -6.848 1.00 0.00 H new ATOM 0 HH21 ARG A 59 38.549 -24.037 -5.957 1.00 0.00 H new ATOM 0 HH22 ARG A 59 36.864 -24.173 -5.445 1.00 0.00 H new ATOM 965 N SER A 60 40.762 -17.268 -6.170 1.00 0.00 N ATOM 966 CA SER A 60 41.838 -17.150 -5.139 1.00 0.00 C ATOM 967 C SER A 60 43.158 -17.722 -5.672 1.00 0.00 C ATOM 968 O SER A 60 43.382 -18.908 -5.496 1.00 0.00 O ATOM 969 CB SER A 60 41.340 -17.968 -3.945 1.00 0.00 C ATOM 970 OG SER A 60 42.433 -18.247 -3.079 1.00 0.00 O ATOM 971 OXT SER A 60 43.920 -16.961 -6.246 1.00 0.00 O ATOM 0 H SER A 60 40.261 -16.402 -6.371 1.00 0.00 H new ATOM 0 HA SER A 60 42.032 -16.112 -4.869 1.00 0.00 H new ATOM 0 HB2 SER A 60 40.567 -17.417 -3.409 1.00 0.00 H new ATOM 0 HB3 SER A 60 40.887 -18.898 -4.290 1.00 0.00 H new ATOM 0 HG SER A 60 43.025 -18.904 -3.501 1.00 0.00 H new TER 977 SER A 60