USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 499 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 SER OG : rot -124:sc= 1.23 USER MOD Set 1.2: A 50 SER OG : rot -51:sc= 2.25 USER MOD Single : A 1 ALA N :NH3+ -167:sc= -0.352 (180deg=-0.782) USER MOD Single : A 2 TYR OH : rot 25:sc= 0.083 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.292 USER MOD Single : A 16 THR OG1 : rot 154:sc= 0.0654 USER MOD Single : A 18 GLN : amide:sc= -2.63! C(o=-2.6!,f=-3.9!) USER MOD Single : A 27 TYR OH : rot -70:sc= 1.01 USER MOD Single : A 29 SER OG : rot 105:sc= -0.182 USER MOD Single : A 33 SER OG : rot 180:sc=0.000488 USER MOD Single : A 36 SER OG : rot 180:sc= 0.00753 USER MOD Single : A 39 SER OG : rot 16:sc= 1.13 USER MOD Single : A 58 THR OG1 : rot -19:sc= 0.67 USER MOD Single : A 59 TYR OH : rot -153:sc= 0.144 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.496 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.671 -4.985 8.546 1.00 0.00 N ATOM 2 CA ALA A 1 6.430 -6.275 8.492 1.00 0.00 C ATOM 3 C ALA A 1 7.876 -5.825 8.295 1.00 0.00 C ATOM 4 O ALA A 1 8.049 -4.779 7.710 1.00 0.00 O ATOM 5 CB ALA A 1 5.991 -7.149 7.288 1.00 0.00 C ATOM 0 H1 ALA A 1 4.708 -5.163 8.896 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.155 -4.324 9.186 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.622 -4.571 7.593 1.00 0.00 H new ATOM 0 HA ALA A 1 6.269 -6.882 9.383 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.564 -8.076 7.283 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.929 -7.379 7.374 1.00 0.00 H new ATOM 0 HB3 ALA A 1 6.171 -6.606 6.360 1.00 0.00 H new ATOM 13 N TYR A 2 8.859 -6.563 8.749 1.00 0.00 N ATOM 14 CA TYR A 2 10.268 -6.078 8.544 1.00 0.00 C ATOM 15 C TYR A 2 11.186 -7.239 8.163 1.00 0.00 C ATOM 16 O TYR A 2 11.796 -7.216 7.117 1.00 0.00 O ATOM 17 CB TYR A 2 10.719 -5.370 9.882 1.00 0.00 C ATOM 18 CG TYR A 2 9.542 -4.461 10.308 1.00 0.00 C ATOM 19 CD1 TYR A 2 9.286 -3.288 9.624 1.00 0.00 C ATOM 20 CD2 TYR A 2 8.685 -4.822 11.338 1.00 0.00 C ATOM 21 CE1 TYR A 2 8.209 -2.502 9.952 1.00 0.00 C ATOM 22 CE2 TYR A 2 7.599 -4.021 11.659 1.00 0.00 C ATOM 23 CZ TYR A 2 7.355 -2.858 10.960 1.00 0.00 C ATOM 24 OH TYR A 2 6.258 -2.073 11.238 1.00 0.00 O ATOM 0 H TYR A 2 8.759 -7.453 9.238 1.00 0.00 H new ATOM 0 HA TYR A 2 10.325 -5.367 7.720 1.00 0.00 H new ATOM 0 HB2 TYR A 2 10.942 -6.105 10.655 1.00 0.00 H new ATOM 0 HB3 TYR A 2 11.626 -4.785 9.726 1.00 0.00 H new ATOM 0 HD1 TYR A 2 9.942 -2.985 8.821 1.00 0.00 H new ATOM 0 HD2 TYR A 2 8.864 -5.731 11.893 1.00 0.00 H new ATOM 0 HE1 TYR A 2 8.033 -1.587 9.405 1.00 0.00 H new ATOM 0 HE2 TYR A 2 6.939 -4.311 12.463 1.00 0.00 H new ATOM 0 HH TYR A 2 6.005 -1.568 10.437 1.00 0.00 H new ATOM 34 N ARG A 3 11.272 -8.235 9.008 1.00 0.00 N ATOM 35 CA ARG A 3 12.157 -9.401 8.681 1.00 0.00 C ATOM 36 C ARG A 3 11.935 -9.944 7.249 1.00 0.00 C ATOM 37 O ARG A 3 12.887 -10.003 6.500 1.00 0.00 O ATOM 38 CB ARG A 3 11.906 -10.521 9.740 1.00 0.00 C ATOM 39 CG ARG A 3 12.933 -10.424 10.898 1.00 0.00 C ATOM 40 CD ARG A 3 12.895 -9.056 11.618 1.00 0.00 C ATOM 41 NE ARG A 3 14.009 -9.039 12.622 1.00 0.00 N ATOM 42 CZ ARG A 3 13.784 -9.401 13.847 1.00 0.00 C ATOM 43 NH1 ARG A 3 13.829 -10.669 14.118 1.00 0.00 N ATOM 44 NH2 ARG A 3 13.527 -8.479 14.723 1.00 0.00 N ATOM 0 H ARG A 3 10.777 -8.295 9.898 1.00 0.00 H new ATOM 0 HA ARG A 3 13.193 -9.064 8.715 1.00 0.00 H new ATOM 0 HB2 ARG A 3 10.895 -10.433 10.137 1.00 0.00 H new ATOM 0 HB3 ARG A 3 11.978 -11.499 9.265 1.00 0.00 H new ATOM 0 HG2 ARG A 3 12.735 -11.216 11.621 1.00 0.00 H new ATOM 0 HG3 ARG A 3 13.935 -10.595 10.504 1.00 0.00 H new ATOM 0 HD2 ARG A 3 13.013 -8.243 10.902 1.00 0.00 H new ATOM 0 HD3 ARG A 3 11.934 -8.909 12.111 1.00 0.00 H new ATOM 0 HE ARG A 3 14.944 -8.743 12.341 1.00 0.00 H new ATOM 0 HH11 ARG A 3 14.036 -11.341 13.379 1.00 0.00 H new ATOM 0 HH12 ARG A 3 13.658 -10.994 15.070 1.00 0.00 H new ATOM 0 HH21 ARG A 3 13.506 -7.499 14.441 1.00 0.00 H new ATOM 0 HH22 ARG A 3 13.346 -8.734 15.694 1.00 0.00 H new ATOM 58 N PRO A 4 10.732 -10.320 6.878 1.00 0.00 N ATOM 59 CA PRO A 4 10.433 -10.700 5.466 1.00 0.00 C ATOM 60 C PRO A 4 10.271 -9.479 4.529 1.00 0.00 C ATOM 61 O PRO A 4 9.522 -9.560 3.575 1.00 0.00 O ATOM 62 CB PRO A 4 9.168 -11.549 5.604 1.00 0.00 C ATOM 63 CG PRO A 4 8.405 -10.817 6.737 1.00 0.00 C ATOM 64 CD PRO A 4 9.522 -10.447 7.747 1.00 0.00 C ATOM 0 HA PRO A 4 11.247 -11.244 4.986 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.593 -11.577 4.678 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.397 -12.581 5.868 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.890 -9.931 6.366 1.00 0.00 H new ATOM 0 HG3 PRO A 4 7.650 -11.458 7.191 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.301 -9.517 8.270 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.650 -11.217 8.507 1.00 0.00 H new ATOM 72 N SER A 5 10.963 -8.401 4.825 1.00 0.00 N ATOM 73 CA SER A 5 10.868 -7.160 3.972 1.00 0.00 C ATOM 74 C SER A 5 10.931 -7.486 2.474 1.00 0.00 C ATOM 75 O SER A 5 11.778 -8.242 2.037 1.00 0.00 O ATOM 76 CB SER A 5 12.031 -6.187 4.284 1.00 0.00 C ATOM 77 OG SER A 5 11.725 -4.997 3.562 1.00 0.00 O ATOM 0 H SER A 5 11.593 -8.323 5.623 1.00 0.00 H new ATOM 0 HA SER A 5 9.907 -6.703 4.207 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.104 -5.991 5.354 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.988 -6.603 3.970 1.00 0.00 H new ATOM 0 HG SER A 5 12.474 -4.771 2.972 1.00 0.00 H new ATOM 83 N GLU A 6 10.038 -6.892 1.742 1.00 0.00 N ATOM 84 CA GLU A 6 9.962 -7.100 0.270 1.00 0.00 C ATOM 85 C GLU A 6 9.893 -5.778 -0.523 1.00 0.00 C ATOM 86 O GLU A 6 9.809 -4.699 0.029 1.00 0.00 O ATOM 87 CB GLU A 6 8.714 -8.005 -0.015 1.00 0.00 C ATOM 88 CG GLU A 6 7.648 -8.043 1.147 1.00 0.00 C ATOM 89 CD GLU A 6 6.996 -6.692 1.468 1.00 0.00 C ATOM 90 OE1 GLU A 6 6.034 -6.387 0.781 1.00 0.00 O ATOM 91 OE2 GLU A 6 7.492 -6.053 2.385 1.00 0.00 O ATOM 0 H GLU A 6 9.336 -6.251 2.112 1.00 0.00 H new ATOM 0 HA GLU A 6 10.877 -7.586 -0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 6 8.227 -7.653 -0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 6 9.056 -9.022 -0.209 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.866 -8.753 0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 6 8.128 -8.422 2.049 1.00 0.00 H new ATOM 98 N THR A 7 9.947 -5.936 -1.818 1.00 0.00 N ATOM 99 CA THR A 7 9.888 -4.789 -2.778 1.00 0.00 C ATOM 100 C THR A 7 8.899 -5.245 -3.846 1.00 0.00 C ATOM 101 O THR A 7 7.917 -4.588 -4.133 1.00 0.00 O ATOM 102 CB THR A 7 11.286 -4.535 -3.408 1.00 0.00 C ATOM 103 OG1 THR A 7 11.679 -5.768 -4.010 1.00 0.00 O ATOM 104 CG2 THR A 7 12.368 -4.330 -2.345 1.00 0.00 C ATOM 0 H THR A 7 10.033 -6.847 -2.269 1.00 0.00 H new ATOM 0 HA THR A 7 9.588 -3.857 -2.298 1.00 0.00 H new ATOM 0 HB THR A 7 11.206 -3.669 -4.065 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.560 -5.663 -4.427 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.328 -4.156 -2.832 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.113 -3.469 -1.727 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.435 -5.219 -1.718 1.00 0.00 H new ATOM 112 N LEU A 8 9.223 -6.389 -4.397 1.00 0.00 N ATOM 113 CA LEU A 8 8.385 -7.027 -5.464 1.00 0.00 C ATOM 114 C LEU A 8 8.152 -5.986 -6.579 1.00 0.00 C ATOM 115 O LEU A 8 8.831 -4.986 -6.601 1.00 0.00 O ATOM 116 CB LEU A 8 6.986 -7.416 -4.950 1.00 0.00 C ATOM 117 CG LEU A 8 6.869 -7.999 -3.514 1.00 0.00 C ATOM 118 CD1 LEU A 8 6.492 -6.872 -2.498 1.00 0.00 C ATOM 119 CD2 LEU A 8 5.726 -9.027 -3.495 1.00 0.00 C ATOM 0 H LEU A 8 10.055 -6.922 -4.146 1.00 0.00 H new ATOM 0 HA LEU A 8 8.911 -7.919 -5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.353 -6.530 -5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.568 -8.147 -5.642 1.00 0.00 H new ATOM 0 HG LEU A 8 7.824 -8.448 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.414 -7.296 -1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.263 -6.102 -2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.536 -6.432 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.630 -9.446 -2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.793 -8.538 -3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.944 -9.826 -4.204 1.00 0.00 H new ATOM 131 N CYS A 9 7.226 -6.234 -7.473 1.00 0.00 N ATOM 132 CA CYS A 9 6.931 -5.250 -8.565 1.00 0.00 C ATOM 133 C CYS A 9 5.707 -5.586 -9.429 1.00 0.00 C ATOM 134 O CYS A 9 5.371 -6.722 -9.696 1.00 0.00 O ATOM 135 CB CYS A 9 8.141 -5.082 -9.518 1.00 0.00 C ATOM 136 SG CYS A 9 9.453 -3.964 -8.955 1.00 0.00 S ATOM 0 H CYS A 9 6.658 -7.081 -7.494 1.00 0.00 H new ATOM 0 HA CYS A 9 6.714 -4.328 -8.025 1.00 0.00 H new ATOM 0 HB2 CYS A 9 8.579 -6.065 -9.692 1.00 0.00 H new ATOM 0 HB3 CYS A 9 7.773 -4.722 -10.479 1.00 0.00 H new ATOM 141 N GLY A 10 5.049 -4.524 -9.807 1.00 0.00 N ATOM 142 CA GLY A 10 3.827 -4.604 -10.670 1.00 0.00 C ATOM 143 C GLY A 10 2.804 -5.628 -10.188 1.00 0.00 C ATOM 144 O GLY A 10 2.347 -5.539 -9.068 1.00 0.00 O ATOM 0 H GLY A 10 5.314 -3.574 -9.547 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.355 -3.622 -10.709 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.127 -4.854 -11.688 1.00 0.00 H new ATOM 148 N GLY A 11 2.477 -6.566 -11.034 1.00 0.00 N ATOM 149 CA GLY A 11 1.477 -7.614 -10.654 1.00 0.00 C ATOM 150 C GLY A 11 1.970 -8.406 -9.450 1.00 0.00 C ATOM 151 O GLY A 11 1.201 -8.767 -8.582 1.00 0.00 O ATOM 0 H GLY A 11 2.858 -6.655 -11.976 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.520 -7.146 -10.422 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.308 -8.286 -11.495 1.00 0.00 H new ATOM 155 N GLU A 12 3.253 -8.650 -9.423 1.00 0.00 N ATOM 156 CA GLU A 12 3.839 -9.418 -8.290 1.00 0.00 C ATOM 157 C GLU A 12 3.714 -8.575 -7.029 1.00 0.00 C ATOM 158 O GLU A 12 3.346 -9.072 -5.985 1.00 0.00 O ATOM 159 CB GLU A 12 5.312 -9.701 -8.575 1.00 0.00 C ATOM 160 CG GLU A 12 5.993 -10.358 -7.339 1.00 0.00 C ATOM 161 CD GLU A 12 7.499 -10.193 -7.497 1.00 0.00 C ATOM 162 OE1 GLU A 12 7.895 -9.039 -7.557 1.00 0.00 O ATOM 163 OE2 GLU A 12 8.151 -11.219 -7.552 1.00 0.00 O ATOM 0 H GLU A 12 3.918 -8.351 -10.136 1.00 0.00 H new ATOM 0 HA GLU A 12 3.315 -10.365 -8.162 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.401 -10.360 -9.439 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.824 -8.773 -8.828 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.651 -9.886 -6.418 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.729 -11.413 -7.273 1.00 0.00 H new ATOM 170 N LEU A 13 4.023 -7.310 -7.153 1.00 0.00 N ATOM 171 CA LEU A 13 3.930 -6.419 -5.955 1.00 0.00 C ATOM 172 C LEU A 13 2.557 -6.501 -5.342 1.00 0.00 C ATOM 173 O LEU A 13 2.443 -6.357 -4.141 1.00 0.00 O ATOM 174 CB LEU A 13 4.294 -4.950 -6.389 1.00 0.00 C ATOM 175 CG LEU A 13 3.324 -3.840 -5.818 1.00 0.00 C ATOM 176 CD1 LEU A 13 4.020 -3.116 -4.682 1.00 0.00 C ATOM 177 CD2 LEU A 13 3.050 -2.858 -6.925 1.00 0.00 C ATOM 0 H LEU A 13 4.331 -6.860 -8.015 1.00 0.00 H new ATOM 0 HA LEU A 13 4.636 -6.742 -5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.310 -4.729 -6.063 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.289 -4.894 -7.478 1.00 0.00 H new ATOM 0 HG LEU A 13 2.397 -4.285 -5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.359 -2.348 -4.281 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.269 -3.828 -3.895 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.934 -2.651 -5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.382 -2.077 -6.562 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.987 -2.409 -7.254 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.582 -3.375 -7.763 1.00 0.00 H new ATOM 189 N VAL A 14 1.561 -6.727 -6.159 1.00 0.00 N ATOM 190 CA VAL A 14 0.175 -6.825 -5.615 1.00 0.00 C ATOM 191 C VAL A 14 0.201 -7.750 -4.386 1.00 0.00 C ATOM 192 O VAL A 14 -0.616 -7.584 -3.504 1.00 0.00 O ATOM 193 CB VAL A 14 -0.768 -7.386 -6.734 1.00 0.00 C ATOM 194 CG1 VAL A 14 -2.223 -7.488 -6.224 1.00 0.00 C ATOM 195 CG2 VAL A 14 -0.760 -6.406 -7.937 1.00 0.00 C ATOM 0 H VAL A 14 1.646 -6.847 -7.168 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.201 -5.849 -5.309 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.410 -8.374 -7.022 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.860 -7.880 -7.017 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.261 -8.157 -5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.576 -6.499 -5.930 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.414 -6.788 -8.721 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.116 -5.428 -7.612 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.255 -6.313 -8.324 1.00 0.00 H new ATOM 205 N ASP A 15 1.119 -8.679 -4.342 1.00 0.00 N ATOM 206 CA ASP A 15 1.197 -9.607 -3.172 1.00 0.00 C ATOM 207 C ASP A 15 1.358 -8.856 -1.840 1.00 0.00 C ATOM 208 O ASP A 15 0.758 -9.242 -0.854 1.00 0.00 O ATOM 209 CB ASP A 15 2.384 -10.554 -3.342 1.00 0.00 C ATOM 210 CG ASP A 15 2.399 -11.535 -2.166 1.00 0.00 C ATOM 211 OD1 ASP A 15 1.645 -12.487 -2.272 1.00 0.00 O ATOM 212 OD2 ASP A 15 3.151 -11.280 -1.238 1.00 0.00 O ATOM 0 H ASP A 15 1.820 -8.837 -5.066 1.00 0.00 H new ATOM 0 HA ASP A 15 0.259 -10.161 -3.141 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.304 -11.095 -4.285 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.316 -9.990 -3.376 1.00 0.00 H new ATOM 217 N THR A 16 2.142 -7.800 -1.829 1.00 0.00 N ATOM 218 CA THR A 16 2.322 -7.056 -0.539 1.00 0.00 C ATOM 219 C THR A 16 0.946 -6.607 -0.027 1.00 0.00 C ATOM 220 O THR A 16 0.610 -6.751 1.134 1.00 0.00 O ATOM 221 CB THR A 16 3.295 -5.830 -0.762 1.00 0.00 C ATOM 222 OG1 THR A 16 3.484 -5.307 0.542 1.00 0.00 O ATOM 223 CG2 THR A 16 2.723 -4.618 -1.520 1.00 0.00 C ATOM 0 H THR A 16 2.651 -7.430 -2.632 1.00 0.00 H new ATOM 0 HA THR A 16 2.774 -7.701 0.214 1.00 0.00 H new ATOM 0 HB THR A 16 4.145 -6.209 -1.329 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.345 -4.841 0.586 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.489 -3.848 -1.606 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.407 -4.928 -2.516 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.867 -4.219 -0.976 1.00 0.00 H new ATOM 231 N LEU A 17 0.140 -6.064 -0.897 1.00 0.00 N ATOM 232 CA LEU A 17 -1.195 -5.637 -0.425 1.00 0.00 C ATOM 233 C LEU A 17 -2.021 -6.880 -0.164 1.00 0.00 C ATOM 234 O LEU A 17 -2.637 -7.016 0.871 1.00 0.00 O ATOM 235 CB LEU A 17 -1.921 -4.906 -1.449 1.00 0.00 C ATOM 236 CG LEU A 17 -1.135 -3.723 -1.970 1.00 0.00 C ATOM 237 CD1 LEU A 17 -1.892 -3.191 -3.106 1.00 0.00 C ATOM 238 CD2 LEU A 17 -1.176 -2.634 -0.947 1.00 0.00 C ATOM 0 H LEU A 17 0.343 -5.903 -1.884 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.048 -5.011 0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.155 -5.577 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.870 -4.559 -1.041 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.115 -4.020 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.367 -2.331 -3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.990 -3.961 -3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.883 -2.884 -2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.613 -1.774 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.211 -2.342 -0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.734 -2.992 -0.017 1.00 0.00 H new ATOM 250 N GLN A 18 -2.014 -7.761 -1.123 1.00 0.00 N ATOM 251 CA GLN A 18 -2.797 -9.009 -0.989 1.00 0.00 C ATOM 252 C GLN A 18 -2.655 -9.631 0.383 1.00 0.00 C ATOM 253 O GLN A 18 -3.672 -9.985 0.947 1.00 0.00 O ATOM 254 CB GLN A 18 -2.339 -10.012 -2.078 1.00 0.00 C ATOM 255 CG GLN A 18 -3.196 -11.319 -2.082 1.00 0.00 C ATOM 256 CD GLN A 18 -2.820 -12.219 -0.888 1.00 0.00 C ATOM 257 OE1 GLN A 18 -1.681 -12.307 -0.488 1.00 0.00 O ATOM 258 NE2 GLN A 18 -3.727 -12.916 -0.270 1.00 0.00 N ATOM 0 H GLN A 18 -1.496 -7.666 -1.996 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.851 -8.763 -1.119 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.403 -9.536 -3.056 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.292 -10.268 -1.915 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.255 -11.066 -2.034 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.040 -11.860 -3.015 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.700 -12.871 -0.574 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.466 -13.507 0.519 1.00 0.00 H new ATOM 267 N PHE A 19 -1.458 -9.758 0.889 1.00 0.00 N ATOM 268 CA PHE A 19 -1.414 -10.378 2.233 1.00 0.00 C ATOM 269 C PHE A 19 -2.032 -9.417 3.267 1.00 0.00 C ATOM 270 O PHE A 19 -2.685 -9.905 4.169 1.00 0.00 O ATOM 271 CB PHE A 19 0.074 -10.745 2.606 1.00 0.00 C ATOM 272 CG PHE A 19 0.913 -9.552 3.073 1.00 0.00 C ATOM 273 CD1 PHE A 19 0.694 -9.007 4.325 1.00 0.00 C ATOM 274 CD2 PHE A 19 1.886 -9.009 2.262 1.00 0.00 C ATOM 275 CE1 PHE A 19 1.432 -7.933 4.760 1.00 0.00 C ATOM 276 CE2 PHE A 19 2.626 -7.932 2.705 1.00 0.00 C ATOM 277 CZ PHE A 19 2.401 -7.397 3.944 1.00 0.00 C ATOM 0 H PHE A 19 -0.572 -9.481 0.465 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.997 -11.299 2.233 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.065 -11.499 3.393 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.554 -11.196 1.738 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.065 -9.430 4.967 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.069 -9.425 1.282 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.252 -7.512 5.738 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.389 -7.508 2.069 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.985 -6.553 4.282 1.00 0.00 H new ATOM 287 N VAL A 20 -1.849 -8.111 3.167 1.00 0.00 N ATOM 288 CA VAL A 20 -2.462 -7.240 4.191 1.00 0.00 C ATOM 289 C VAL A 20 -3.881 -6.754 3.862 1.00 0.00 C ATOM 290 O VAL A 20 -4.790 -6.976 4.642 1.00 0.00 O ATOM 291 CB VAL A 20 -1.467 -6.110 4.361 1.00 0.00 C ATOM 292 CG1 VAL A 20 -1.392 -5.132 3.187 1.00 0.00 C ATOM 293 CG2 VAL A 20 -1.791 -5.389 5.586 1.00 0.00 C ATOM 0 H VAL A 20 -1.315 -7.638 2.437 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.634 -7.790 5.116 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.481 -6.571 4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.653 -4.360 3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.102 -5.669 2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.367 -4.669 3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.084 -4.571 5.725 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.802 -4.987 5.515 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.730 -6.069 6.436 1.00 0.00 H new ATOM 303 N CYS A 21 -4.056 -6.101 2.736 1.00 0.00 N ATOM 304 CA CYS A 21 -5.415 -5.621 2.393 1.00 0.00 C ATOM 305 C CYS A 21 -6.415 -6.767 2.392 1.00 0.00 C ATOM 306 O CYS A 21 -7.398 -6.788 3.114 1.00 0.00 O ATOM 307 CB CYS A 21 -5.387 -5.025 1.061 1.00 0.00 C ATOM 308 SG CYS A 21 -7.049 -4.604 0.500 1.00 0.00 S ATOM 0 H CYS A 21 -3.326 -5.887 2.057 1.00 0.00 H new ATOM 0 HA CYS A 21 -5.721 -4.888 3.140 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.767 -4.129 1.074 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.928 -5.720 0.358 1.00 0.00 H new ATOM 313 N GLY A 22 -6.097 -7.695 1.536 1.00 0.00 N ATOM 314 CA GLY A 22 -6.934 -8.895 1.377 1.00 0.00 C ATOM 315 C GLY A 22 -8.324 -8.546 0.860 1.00 0.00 C ATOM 316 O GLY A 22 -8.575 -7.512 0.266 1.00 0.00 O ATOM 0 H GLY A 22 -5.275 -7.664 0.932 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.452 -9.587 0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.020 -9.409 2.335 1.00 0.00 H new ATOM 320 N ASP A 23 -9.118 -9.529 1.163 1.00 0.00 N ATOM 321 CA ASP A 23 -10.571 -9.732 0.906 1.00 0.00 C ATOM 322 C ASP A 23 -11.478 -8.531 0.540 1.00 0.00 C ATOM 323 O ASP A 23 -12.583 -8.417 1.033 1.00 0.00 O ATOM 324 CB ASP A 23 -11.105 -10.495 2.186 1.00 0.00 C ATOM 325 CG ASP A 23 -10.320 -11.799 2.512 1.00 0.00 C ATOM 326 OD1 ASP A 23 -9.297 -12.043 1.886 1.00 0.00 O ATOM 327 OD2 ASP A 23 -10.801 -12.485 3.394 1.00 0.00 O ATOM 0 H ASP A 23 -8.740 -10.332 1.665 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.638 -10.276 -0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.052 -9.826 3.045 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.156 -10.742 2.038 1.00 0.00 H new ATOM 332 N ARG A 24 -11.013 -7.644 -0.301 1.00 0.00 N ATOM 333 CA ARG A 24 -11.827 -6.469 -0.718 1.00 0.00 C ATOM 334 C ARG A 24 -11.156 -5.845 -1.930 1.00 0.00 C ATOM 335 O ARG A 24 -11.810 -5.322 -2.812 1.00 0.00 O ATOM 336 CB ARG A 24 -11.931 -5.478 0.463 1.00 0.00 C ATOM 337 CG ARG A 24 -10.655 -5.420 1.363 1.00 0.00 C ATOM 338 CD ARG A 24 -11.054 -4.483 2.502 1.00 0.00 C ATOM 339 NE ARG A 24 -10.089 -4.522 3.654 1.00 0.00 N ATOM 340 CZ ARG A 24 -10.336 -5.344 4.637 1.00 0.00 C ATOM 341 NH1 ARG A 24 -11.356 -5.131 5.425 1.00 0.00 N ATOM 342 NH2 ARG A 24 -9.535 -6.352 4.771 1.00 0.00 N ATOM 0 H ARG A 24 -10.085 -7.688 -0.723 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.842 -6.759 -0.990 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.131 -4.481 0.070 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.786 -5.754 1.081 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.382 -6.408 1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.795 -5.038 0.813 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.118 -3.463 2.122 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.048 -4.754 2.858 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.264 -3.922 3.667 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.959 -4.323 5.272 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.550 -5.773 6.193 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.756 -6.474 4.124 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.683 -7.025 5.523 1.00 0.00 H new ATOM 356 N GLY A 25 -9.853 -5.917 -1.940 1.00 0.00 N ATOM 357 CA GLY A 25 -9.093 -5.345 -3.085 1.00 0.00 C ATOM 358 C GLY A 25 -8.354 -4.107 -2.611 1.00 0.00 C ATOM 359 O GLY A 25 -8.527 -3.724 -1.481 1.00 0.00 O ATOM 0 H GLY A 25 -9.285 -6.345 -1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.388 -6.079 -3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.772 -5.091 -3.899 1.00 0.00 H new ATOM 363 N PHE A 26 -7.564 -3.485 -3.436 1.00 0.00 N ATOM 364 CA PHE A 26 -6.783 -2.255 -3.037 1.00 0.00 C ATOM 365 C PHE A 26 -6.667 -1.347 -4.230 1.00 0.00 C ATOM 366 O PHE A 26 -6.824 -1.804 -5.348 1.00 0.00 O ATOM 367 CB PHE A 26 -5.360 -2.626 -2.599 1.00 0.00 C ATOM 368 CG PHE A 26 -5.114 -4.020 -3.141 1.00 0.00 C ATOM 369 CD1 PHE A 26 -4.891 -4.259 -4.468 1.00 0.00 C ATOM 370 CD2 PHE A 26 -5.164 -5.053 -2.263 1.00 0.00 C ATOM 371 CE1 PHE A 26 -4.720 -5.547 -4.895 1.00 0.00 C ATOM 372 CE2 PHE A 26 -4.997 -6.341 -2.664 1.00 0.00 C ATOM 373 CZ PHE A 26 -4.770 -6.601 -4.000 1.00 0.00 C ATOM 0 H PHE A 26 -7.414 -3.777 -4.402 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.305 -1.771 -2.211 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.632 -1.918 -2.994 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.267 -2.606 -1.513 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.850 -3.440 -5.171 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.341 -4.847 -1.218 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.544 -5.744 -5.942 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.041 -7.148 -1.948 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.633 -7.616 -4.343 1.00 0.00 H new ATOM 383 N TYR A 27 -6.388 -0.108 -3.942 1.00 0.00 N ATOM 384 CA TYR A 27 -6.232 0.898 -5.015 1.00 0.00 C ATOM 385 C TYR A 27 -4.832 1.458 -4.803 1.00 0.00 C ATOM 386 O TYR A 27 -4.418 1.663 -3.681 1.00 0.00 O ATOM 387 CB TYR A 27 -7.301 2.051 -4.892 1.00 0.00 C ATOM 388 CG TYR A 27 -7.853 2.219 -3.457 1.00 0.00 C ATOM 389 CD1 TYR A 27 -7.032 2.464 -2.370 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.215 2.111 -3.241 1.00 0.00 C ATOM 391 CE1 TYR A 27 -7.560 2.594 -1.102 1.00 0.00 C ATOM 392 CE2 TYR A 27 -9.741 2.242 -1.974 1.00 0.00 C ATOM 393 CZ TYR A 27 -8.917 2.483 -0.900 1.00 0.00 C ATOM 394 OH TYR A 27 -9.444 2.610 0.364 1.00 0.00 O ATOM 0 H TYR A 27 -6.261 0.250 -2.996 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.375 0.459 -6.003 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.851 2.990 -5.214 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.128 1.845 -5.571 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.966 2.554 -2.516 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.874 1.922 -4.075 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.906 2.784 -0.264 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.807 2.155 -1.824 1.00 0.00 H new ATOM 0 HH TYR A 27 -9.188 1.834 0.905 1.00 0.00 H new ATOM 404 N PHE A 28 -4.134 1.684 -5.879 1.00 0.00 N ATOM 405 CA PHE A 28 -2.747 2.232 -5.804 1.00 0.00 C ATOM 406 C PHE A 28 -2.673 3.759 -5.664 1.00 0.00 C ATOM 407 O PHE A 28 -1.616 4.273 -5.343 1.00 0.00 O ATOM 408 CB PHE A 28 -1.986 1.778 -7.075 1.00 0.00 C ATOM 409 CG PHE A 28 -2.795 2.029 -8.355 1.00 0.00 C ATOM 410 CD1 PHE A 28 -2.773 3.263 -8.970 1.00 0.00 C ATOM 411 CD2 PHE A 28 -3.553 1.014 -8.911 1.00 0.00 C ATOM 412 CE1 PHE A 28 -3.499 3.483 -10.122 1.00 0.00 C ATOM 413 CE2 PHE A 28 -4.278 1.232 -10.063 1.00 0.00 C ATOM 414 CZ PHE A 28 -4.252 2.468 -10.671 1.00 0.00 C ATOM 0 H PHE A 28 -4.470 1.510 -6.826 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.292 1.841 -4.894 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.036 2.309 -7.137 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.753 0.716 -6.997 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.183 4.063 -8.547 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.577 0.043 -8.439 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.477 4.454 -10.595 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.867 0.433 -10.489 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.819 2.641 -11.574 1.00 0.00 H new ATOM 424 N SER A 29 -3.767 4.434 -5.914 1.00 0.00 N ATOM 425 CA SER A 29 -3.783 5.935 -5.798 1.00 0.00 C ATOM 426 C SER A 29 -4.913 6.457 -4.886 1.00 0.00 C ATOM 427 O SER A 29 -5.279 7.615 -4.965 1.00 0.00 O ATOM 428 CB SER A 29 -3.932 6.543 -7.221 1.00 0.00 C ATOM 429 OG SER A 29 -2.772 6.132 -7.946 1.00 0.00 O ATOM 0 H SER A 29 -4.654 4.015 -6.194 1.00 0.00 H new ATOM 0 HA SER A 29 -2.844 6.242 -5.337 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.841 6.187 -7.705 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.000 7.630 -7.176 1.00 0.00 H new ATOM 0 HG SER A 29 -3.015 5.423 -8.578 1.00 0.00 H new ATOM 435 N ARG A 30 -5.412 5.583 -4.041 1.00 0.00 N ATOM 436 CA ARG A 30 -6.518 5.909 -3.074 1.00 0.00 C ATOM 437 C ARG A 30 -7.848 6.188 -3.821 1.00 0.00 C ATOM 438 O ARG A 30 -7.835 6.489 -4.996 1.00 0.00 O ATOM 439 CB ARG A 30 -6.097 7.150 -2.244 1.00 0.00 C ATOM 440 CG ARG A 30 -4.655 6.981 -1.677 1.00 0.00 C ATOM 441 CD ARG A 30 -3.815 8.209 -2.067 1.00 0.00 C ATOM 442 NE ARG A 30 -4.502 9.446 -1.564 1.00 0.00 N ATOM 443 CZ ARG A 30 -4.112 10.009 -0.462 1.00 0.00 C ATOM 444 NH1 ARG A 30 -2.935 10.555 -0.482 1.00 0.00 N ATOM 445 NH2 ARG A 30 -4.909 9.987 0.557 1.00 0.00 N ATOM 0 H ARG A 30 -5.085 4.619 -3.979 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.684 5.056 -2.416 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.144 8.042 -2.868 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.799 7.298 -1.423 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.687 6.876 -0.593 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.200 6.073 -2.072 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.815 8.133 -1.640 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.697 8.257 -3.150 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.279 9.845 -2.091 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.374 10.525 -1.333 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.571 11.014 0.353 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.820 9.534 0.482 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.626 10.422 1.435 1.00 0.00 H new ATOM 459 N PRO A 31 -8.982 6.095 -3.152 1.00 0.00 N ATOM 460 CA PRO A 31 -10.322 6.230 -3.811 1.00 0.00 C ATOM 461 C PRO A 31 -10.746 7.660 -4.171 1.00 0.00 C ATOM 462 O PRO A 31 -11.869 7.918 -4.554 1.00 0.00 O ATOM 463 CB PRO A 31 -11.259 5.587 -2.835 1.00 0.00 C ATOM 464 CG PRO A 31 -10.653 5.989 -1.470 1.00 0.00 C ATOM 465 CD PRO A 31 -9.131 5.838 -1.688 1.00 0.00 C ATOM 0 HA PRO A 31 -10.313 5.757 -4.793 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -12.279 5.955 -2.950 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.294 4.505 -2.960 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.919 7.010 -1.199 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -11.009 5.343 -0.668 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.564 6.553 -1.092 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.779 4.843 -1.414 1.00 0.00 H new ATOM 473 N ALA A 32 -9.810 8.539 -4.008 1.00 0.00 N ATOM 474 CA ALA A 32 -10.043 9.991 -4.313 1.00 0.00 C ATOM 475 C ALA A 32 -10.282 10.231 -5.814 1.00 0.00 C ATOM 476 O ALA A 32 -10.062 9.367 -6.641 1.00 0.00 O ATOM 477 CB ALA A 32 -8.827 10.818 -3.877 1.00 0.00 C ATOM 0 H ALA A 32 -8.872 8.321 -3.671 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.934 10.296 -3.764 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -9.003 11.870 -4.101 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.670 10.697 -2.805 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.943 10.476 -4.414 1.00 0.00 H new ATOM 483 N SER A 33 -10.725 11.427 -6.108 1.00 0.00 N ATOM 484 CA SER A 33 -11.007 11.811 -7.524 1.00 0.00 C ATOM 485 C SER A 33 -9.710 12.160 -8.287 1.00 0.00 C ATOM 486 O SER A 33 -8.620 11.810 -7.876 1.00 0.00 O ATOM 487 CB SER A 33 -11.971 13.018 -7.522 1.00 0.00 C ATOM 488 OG SER A 33 -12.919 12.721 -6.501 1.00 0.00 O ATOM 0 H SER A 33 -10.905 12.160 -5.422 1.00 0.00 H new ATOM 0 HA SER A 33 -11.463 10.965 -8.037 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.442 13.947 -7.313 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.457 13.139 -8.490 1.00 0.00 H new ATOM 0 HG SER A 33 -13.571 13.450 -6.438 1.00 0.00 H new ATOM 494 N ARG A 34 -9.853 12.874 -9.376 1.00 0.00 N ATOM 495 CA ARG A 34 -8.662 13.256 -10.212 1.00 0.00 C ATOM 496 C ARG A 34 -8.153 14.673 -10.105 1.00 0.00 C ATOM 497 O ARG A 34 -7.199 15.064 -10.747 1.00 0.00 O ATOM 498 CB ARG A 34 -8.995 12.981 -11.684 1.00 0.00 C ATOM 499 CG ARG A 34 -10.332 13.713 -12.049 1.00 0.00 C ATOM 500 CD ARG A 34 -10.239 14.297 -13.459 1.00 0.00 C ATOM 501 NE ARG A 34 -9.835 13.204 -14.392 1.00 0.00 N ATOM 502 CZ ARG A 34 -9.180 13.517 -15.465 1.00 0.00 C ATOM 503 NH1 ARG A 34 -7.888 13.587 -15.380 1.00 0.00 N ATOM 504 NH2 ARG A 34 -9.854 13.743 -16.548 1.00 0.00 N ATOM 0 H ARG A 34 -10.748 13.213 -9.728 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.852 12.646 -9.811 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.186 13.332 -12.325 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.094 11.909 -11.854 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -11.167 13.015 -11.990 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.530 14.508 -11.329 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.198 14.718 -13.760 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.512 15.109 -13.487 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.069 12.232 -14.189 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.424 13.399 -14.491 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.335 13.830 -16.202 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.872 13.672 -16.540 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.367 13.992 -17.409 1.00 0.00 H new ATOM 518 N VAL A 35 -8.818 15.405 -9.283 1.00 0.00 N ATOM 519 CA VAL A 35 -8.468 16.815 -9.051 1.00 0.00 C ATOM 520 C VAL A 35 -7.271 16.928 -8.110 1.00 0.00 C ATOM 521 O VAL A 35 -6.618 17.941 -7.973 1.00 0.00 O ATOM 522 CB VAL A 35 -9.728 17.490 -8.477 1.00 0.00 C ATOM 523 CG1 VAL A 35 -9.795 18.846 -9.083 1.00 0.00 C ATOM 524 CG2 VAL A 35 -11.056 16.759 -8.808 1.00 0.00 C ATOM 0 H VAL A 35 -9.618 15.074 -8.743 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.166 17.310 -9.974 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.637 17.487 -7.391 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.674 19.369 -8.708 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.899 19.407 -8.819 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.861 18.757 -10.167 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.891 17.303 -8.365 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.186 16.712 -9.889 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.026 15.748 -8.402 1.00 0.00 H new ATOM 534 N SER A 36 -7.042 15.812 -7.504 1.00 0.00 N ATOM 535 CA SER A 36 -5.952 15.568 -6.510 1.00 0.00 C ATOM 536 C SER A 36 -4.522 15.698 -7.005 1.00 0.00 C ATOM 537 O SER A 36 -3.577 15.441 -6.280 1.00 0.00 O ATOM 538 CB SER A 36 -6.091 14.194 -5.976 1.00 0.00 C ATOM 539 OG SER A 36 -7.453 14.107 -5.578 1.00 0.00 O ATOM 0 H SER A 36 -7.613 14.983 -7.668 1.00 0.00 H new ATOM 0 HA SER A 36 -6.090 16.361 -5.775 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.849 13.447 -6.732 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.419 14.025 -5.134 1.00 0.00 H new ATOM 0 HG SER A 36 -7.630 13.216 -5.210 1.00 0.00 H new ATOM 545 N ARG A 37 -4.430 16.091 -8.234 1.00 0.00 N ATOM 546 CA ARG A 37 -3.118 16.277 -8.914 1.00 0.00 C ATOM 547 C ARG A 37 -2.414 14.920 -8.773 1.00 0.00 C ATOM 548 O ARG A 37 -3.091 13.907 -8.757 1.00 0.00 O ATOM 549 CB ARG A 37 -2.431 17.430 -8.177 1.00 0.00 C ATOM 550 CG ARG A 37 -3.379 18.661 -8.178 1.00 0.00 C ATOM 551 CD ARG A 37 -2.903 19.708 -7.163 1.00 0.00 C ATOM 552 NE ARG A 37 -1.570 20.259 -7.573 1.00 0.00 N ATOM 553 CZ ARG A 37 -1.434 20.881 -8.707 1.00 0.00 C ATOM 554 NH1 ARG A 37 -2.214 21.893 -8.938 1.00 0.00 N ATOM 555 NH2 ARG A 37 -0.536 20.476 -9.559 1.00 0.00 N ATOM 0 H ARG A 37 -5.237 16.300 -8.822 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.145 16.540 -9.972 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.195 17.137 -7.154 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.488 17.680 -8.663 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.412 19.101 -9.175 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.394 18.346 -7.935 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.632 20.515 -7.093 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.830 19.258 -6.173 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.764 20.145 -6.958 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.903 22.175 -8.241 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.137 22.406 -9.816 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.055 19.676 -9.335 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.424 20.959 -10.450 1.00 0.00 H new ATOM 569 N ARG A 38 -1.111 14.882 -8.679 1.00 0.00 N ATOM 570 CA ARG A 38 -0.494 13.522 -8.535 1.00 0.00 C ATOM 571 C ARG A 38 -0.967 13.031 -7.156 1.00 0.00 C ATOM 572 O ARG A 38 -1.169 13.829 -6.259 1.00 0.00 O ATOM 573 CB ARG A 38 1.037 13.518 -8.474 1.00 0.00 C ATOM 574 CG ARG A 38 1.709 14.685 -9.247 1.00 0.00 C ATOM 575 CD ARG A 38 2.642 15.455 -8.287 1.00 0.00 C ATOM 576 NE ARG A 38 1.816 16.085 -7.200 1.00 0.00 N ATOM 577 CZ ARG A 38 1.976 15.747 -5.953 1.00 0.00 C ATOM 578 NH1 ARG A 38 3.101 16.071 -5.391 1.00 0.00 N ATOM 579 NH2 ARG A 38 1.023 15.114 -5.338 1.00 0.00 N ATOM 0 H ARG A 38 -0.475 15.679 -8.694 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.782 12.922 -9.398 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.348 13.562 -7.430 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.403 12.573 -8.876 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.277 14.298 -10.093 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.950 15.355 -9.652 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.379 14.778 -7.855 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.194 16.221 -8.832 1.00 0.00 H new ATOM 0 HE ARG A 38 1.119 16.789 -7.444 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.813 16.569 -5.925 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.272 15.828 -4.415 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.160 14.887 -5.832 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.138 14.844 -4.361 1.00 0.00 H new ATOM 593 N SER A 39 -1.091 11.746 -7.052 1.00 0.00 N ATOM 594 CA SER A 39 -1.552 11.060 -5.795 1.00 0.00 C ATOM 595 C SER A 39 -1.358 9.535 -5.908 1.00 0.00 C ATOM 596 O SER A 39 -2.126 8.768 -5.361 1.00 0.00 O ATOM 597 CB SER A 39 -3.065 11.374 -5.552 1.00 0.00 C ATOM 598 OG SER A 39 -3.111 12.670 -4.965 1.00 0.00 O ATOM 0 H SER A 39 -0.885 11.103 -7.816 1.00 0.00 H new ATOM 0 HA SER A 39 -0.958 11.429 -4.959 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.623 11.350 -6.488 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.516 10.632 -4.893 1.00 0.00 H new ATOM 0 HG SER A 39 -2.249 13.118 -5.094 1.00 0.00 H new ATOM 604 N ARG A 40 -0.340 9.125 -6.614 1.00 0.00 N ATOM 605 CA ARG A 40 -0.049 7.696 -6.798 1.00 0.00 C ATOM 606 C ARG A 40 0.695 7.190 -5.547 1.00 0.00 C ATOM 607 O ARG A 40 1.217 7.997 -4.802 1.00 0.00 O ATOM 608 CB ARG A 40 0.767 7.657 -8.096 1.00 0.00 C ATOM 609 CG ARG A 40 1.205 6.258 -8.327 1.00 0.00 C ATOM 610 CD ARG A 40 1.951 6.136 -9.657 1.00 0.00 C ATOM 611 NE ARG A 40 2.316 4.700 -9.822 1.00 0.00 N ATOM 612 CZ ARG A 40 3.207 4.368 -10.700 1.00 0.00 C ATOM 613 NH1 ARG A 40 4.447 4.438 -10.342 1.00 0.00 N ATOM 614 NH2 ARG A 40 2.807 3.993 -11.874 1.00 0.00 N ATOM 0 H ARG A 40 0.316 9.751 -7.081 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.915 7.041 -6.894 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.166 8.010 -8.934 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.630 8.318 -8.022 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.852 5.935 -7.511 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.339 5.596 -8.328 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.324 6.472 -10.483 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.843 6.763 -9.658 1.00 0.00 H new ATOM 0 HE ARG A 40 1.868 3.986 -9.248 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.689 4.745 -9.400 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.183 4.186 -11.001 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.810 3.965 -12.088 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.489 3.726 -12.584 1.00 0.00 H new ATOM 628 N GLY A 41 0.716 5.894 -5.351 1.00 0.00 N ATOM 629 CA GLY A 41 1.421 5.307 -4.162 1.00 0.00 C ATOM 630 C GLY A 41 2.177 4.009 -4.488 1.00 0.00 C ATOM 631 O GLY A 41 3.393 3.997 -4.453 1.00 0.00 O ATOM 0 H GLY A 41 0.273 5.211 -5.966 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.124 6.040 -3.766 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.692 5.108 -3.377 1.00 0.00 H new ATOM 635 N ILE A 42 1.448 2.959 -4.791 1.00 0.00 N ATOM 636 CA ILE A 42 2.028 1.636 -5.128 1.00 0.00 C ATOM 637 C ILE A 42 3.233 1.679 -6.085 1.00 0.00 C ATOM 638 O ILE A 42 3.533 2.700 -6.672 1.00 0.00 O ATOM 639 CB ILE A 42 0.851 0.805 -5.698 1.00 0.00 C ATOM 640 CG1 ILE A 42 0.775 -0.475 -4.930 1.00 0.00 C ATOM 641 CG2 ILE A 42 1.006 0.466 -7.192 1.00 0.00 C ATOM 642 CD1 ILE A 42 0.323 -0.215 -3.508 1.00 0.00 C ATOM 0 H ILE A 42 0.428 2.977 -4.817 1.00 0.00 H new ATOM 0 HA ILE A 42 2.459 1.186 -4.234 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.052 1.408 -5.599 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.081 -1.159 -5.419 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.751 -0.961 -4.925 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.147 -0.117 -7.524 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.064 1.388 -7.770 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.917 -0.114 -7.341 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.273 -1.158 -2.964 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.033 0.451 -3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.663 0.250 -3.519 1.00 0.00 H new ATOM 654 N VAL A 43 3.834 0.522 -6.206 1.00 0.00 N ATOM 655 CA VAL A 43 5.040 0.239 -7.039 1.00 0.00 C ATOM 656 C VAL A 43 6.154 1.203 -6.659 1.00 0.00 C ATOM 657 O VAL A 43 7.120 0.784 -6.056 1.00 0.00 O ATOM 658 CB VAL A 43 4.785 0.368 -8.597 1.00 0.00 C ATOM 659 CG1 VAL A 43 4.245 -0.944 -9.150 1.00 0.00 C ATOM 660 CG2 VAL A 43 3.858 1.496 -9.078 1.00 0.00 C ATOM 0 H VAL A 43 3.501 -0.307 -5.714 1.00 0.00 H new ATOM 0 HA VAL A 43 5.311 -0.797 -6.838 1.00 0.00 H new ATOM 0 HB VAL A 43 5.773 0.627 -8.978 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.073 -0.844 -10.222 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.968 -1.739 -8.971 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.306 -1.189 -8.654 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.777 1.462 -10.164 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.870 1.368 -8.636 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.269 2.459 -8.775 1.00 0.00 H new ATOM 670 N GLU A 44 6.028 2.459 -6.980 1.00 0.00 N ATOM 671 CA GLU A 44 7.109 3.410 -6.612 1.00 0.00 C ATOM 672 C GLU A 44 7.354 3.244 -5.126 1.00 0.00 C ATOM 673 O GLU A 44 8.485 3.283 -4.685 1.00 0.00 O ATOM 674 CB GLU A 44 6.647 4.821 -6.979 1.00 0.00 C ATOM 675 CG GLU A 44 6.887 4.918 -8.503 1.00 0.00 C ATOM 676 CD GLU A 44 6.208 6.145 -9.137 1.00 0.00 C ATOM 677 OE1 GLU A 44 5.114 6.438 -8.681 1.00 0.00 O ATOM 678 OE2 GLU A 44 6.796 6.696 -10.042 1.00 0.00 O ATOM 0 H GLU A 44 5.233 2.864 -7.475 1.00 0.00 H new ATOM 0 HA GLU A 44 8.043 3.224 -7.143 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.596 4.972 -6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.214 5.578 -6.438 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.959 4.962 -8.695 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.514 4.013 -8.983 1.00 0.00 H new ATOM 685 N GLU A 45 6.316 3.054 -4.363 1.00 0.00 N ATOM 686 CA GLU A 45 6.628 2.890 -2.929 1.00 0.00 C ATOM 687 C GLU A 45 7.241 1.491 -2.647 1.00 0.00 C ATOM 688 O GLU A 45 8.263 1.430 -2.010 1.00 0.00 O ATOM 689 CB GLU A 45 5.343 3.080 -2.099 1.00 0.00 C ATOM 690 CG GLU A 45 4.708 1.723 -1.800 1.00 0.00 C ATOM 691 CD GLU A 45 3.394 1.857 -1.067 1.00 0.00 C ATOM 692 OE1 GLU A 45 3.296 2.793 -0.289 1.00 0.00 O ATOM 693 OE2 GLU A 45 2.573 1.002 -1.334 1.00 0.00 O ATOM 0 H GLU A 45 5.337 3.008 -4.645 1.00 0.00 H new ATOM 0 HA GLU A 45 7.363 3.643 -2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.575 3.595 -1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.638 3.708 -2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.548 1.185 -2.734 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.396 1.125 -1.202 1.00 0.00 H new ATOM 700 N CYS A 46 6.663 0.398 -3.095 1.00 0.00 N ATOM 701 CA CYS A 46 7.292 -0.933 -2.770 1.00 0.00 C ATOM 702 C CYS A 46 8.272 -1.415 -3.820 1.00 0.00 C ATOM 703 O CYS A 46 9.381 -1.804 -3.513 1.00 0.00 O ATOM 704 CB CYS A 46 6.187 -1.971 -2.589 1.00 0.00 C ATOM 705 SG CYS A 46 6.526 -3.448 -1.598 1.00 0.00 S ATOM 0 H CYS A 46 5.811 0.364 -3.654 1.00 0.00 H new ATOM 0 HA CYS A 46 7.866 -0.799 -1.853 1.00 0.00 H new ATOM 0 HB2 CYS A 46 5.330 -1.465 -2.144 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.881 -2.303 -3.581 1.00 0.00 H new ATOM 710 N CYS A 47 7.806 -1.370 -5.044 1.00 0.00 N ATOM 711 CA CYS A 47 8.657 -1.817 -6.182 1.00 0.00 C ATOM 712 C CYS A 47 9.896 -0.924 -6.084 1.00 0.00 C ATOM 713 O CYS A 47 10.979 -1.458 -6.213 1.00 0.00 O ATOM 714 CB CYS A 47 7.920 -1.629 -7.563 1.00 0.00 C ATOM 715 SG CYS A 47 8.744 -2.076 -9.119 1.00 0.00 S ATOM 0 H CYS A 47 6.874 -1.043 -5.301 1.00 0.00 H new ATOM 0 HA CYS A 47 8.900 -2.878 -6.131 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.994 -2.202 -7.514 1.00 0.00 H new ATOM 0 HB3 CYS A 47 7.641 -0.578 -7.638 1.00 0.00 H new ATOM 720 N PHE A 48 9.785 0.380 -5.871 1.00 0.00 N ATOM 721 CA PHE A 48 11.036 1.132 -5.781 1.00 0.00 C ATOM 722 C PHE A 48 11.551 1.144 -4.321 1.00 0.00 C ATOM 723 O PHE A 48 12.756 1.071 -4.175 1.00 0.00 O ATOM 724 CB PHE A 48 10.711 2.492 -6.331 1.00 0.00 C ATOM 725 CG PHE A 48 10.944 2.578 -7.842 1.00 0.00 C ATOM 726 CD1 PHE A 48 10.105 1.884 -8.693 1.00 0.00 C ATOM 727 CD2 PHE A 48 11.963 3.340 -8.376 1.00 0.00 C ATOM 728 CE1 PHE A 48 10.277 1.949 -10.056 1.00 0.00 C ATOM 729 CE2 PHE A 48 12.139 3.408 -9.743 1.00 0.00 C ATOM 730 CZ PHE A 48 11.295 2.712 -10.586 1.00 0.00 C ATOM 0 H PHE A 48 8.919 0.909 -5.764 1.00 0.00 H new ATOM 0 HA PHE A 48 11.854 0.691 -6.351 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.670 2.731 -6.112 1.00 0.00 H new ATOM 0 HB3 PHE A 48 11.323 3.241 -5.828 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.306 1.284 -8.283 1.00 0.00 H new ATOM 0 HD2 PHE A 48 12.626 3.886 -7.721 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.615 1.402 -10.711 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.938 4.007 -10.154 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.432 2.765 -11.656 1.00 0.00 H new ATOM 740 N ARG A 49 10.747 1.245 -3.270 1.00 0.00 N ATOM 741 CA ARG A 49 11.425 1.233 -1.909 1.00 0.00 C ATOM 742 C ARG A 49 11.488 -0.221 -1.370 1.00 0.00 C ATOM 743 O ARG A 49 11.913 -1.115 -2.073 1.00 0.00 O ATOM 744 CB ARG A 49 10.638 2.251 -0.976 1.00 0.00 C ATOM 745 CG ARG A 49 10.425 3.542 -1.848 1.00 0.00 C ATOM 746 CD ARG A 49 9.491 4.579 -1.221 1.00 0.00 C ATOM 747 NE ARG A 49 9.193 5.574 -2.312 1.00 0.00 N ATOM 748 CZ ARG A 49 9.347 6.848 -2.101 1.00 0.00 C ATOM 749 NH1 ARG A 49 10.551 7.342 -2.152 1.00 0.00 N ATOM 750 NH2 ARG A 49 8.285 7.553 -1.844 1.00 0.00 N ATOM 0 H ARG A 49 9.731 1.329 -3.282 1.00 0.00 H new ATOM 0 HA ARG A 49 12.462 1.565 -1.954 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.684 1.832 -0.655 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.207 2.476 -0.074 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.394 4.007 -2.031 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.024 3.249 -2.818 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.576 4.112 -0.857 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.963 5.065 -0.367 1.00 0.00 H new ATOM 0 HE ARG A 49 8.868 5.247 -3.222 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.344 6.733 -2.353 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.701 8.338 -1.991 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.370 7.104 -1.813 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.367 8.555 -1.673 1.00 0.00 H new ATOM 764 N SER A 50 11.086 -0.419 -0.142 1.00 0.00 N ATOM 765 CA SER A 50 11.099 -1.804 0.475 1.00 0.00 C ATOM 766 C SER A 50 9.899 -2.019 1.429 1.00 0.00 C ATOM 767 O SER A 50 10.044 -2.643 2.464 1.00 0.00 O ATOM 768 CB SER A 50 12.453 -2.007 1.250 1.00 0.00 C ATOM 769 OG SER A 50 12.453 -3.349 1.745 1.00 0.00 O ATOM 0 H SER A 50 10.744 0.318 0.475 1.00 0.00 H new ATOM 0 HA SER A 50 11.011 -2.539 -0.325 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.304 -1.839 0.590 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.539 -1.293 2.069 1.00 0.00 H new ATOM 0 HG SER A 50 11.615 -3.521 2.224 1.00 0.00 H new ATOM 775 N CYS A 51 8.775 -1.485 1.009 1.00 0.00 N ATOM 776 CA CYS A 51 7.493 -1.578 1.787 1.00 0.00 C ATOM 777 C CYS A 51 7.688 -1.355 3.312 1.00 0.00 C ATOM 778 O CYS A 51 8.649 -0.730 3.722 1.00 0.00 O ATOM 779 CB CYS A 51 6.887 -2.989 1.455 1.00 0.00 C ATOM 780 SG CYS A 51 5.613 -3.104 0.170 1.00 0.00 S ATOM 0 H CYS A 51 8.690 -0.972 0.131 1.00 0.00 H new ATOM 0 HA CYS A 51 6.810 -0.780 1.496 1.00 0.00 H new ATOM 0 HB2 CYS A 51 7.710 -3.643 1.165 1.00 0.00 H new ATOM 0 HB3 CYS A 51 6.467 -3.394 2.376 1.00 0.00 H new ATOM 785 N ASP A 52 6.748 -1.849 4.082 1.00 0.00 N ATOM 786 CA ASP A 52 6.755 -1.757 5.581 1.00 0.00 C ATOM 787 C ASP A 52 5.517 -2.529 6.044 1.00 0.00 C ATOM 788 O ASP A 52 5.614 -3.628 6.560 1.00 0.00 O ATOM 789 CB ASP A 52 6.650 -0.282 6.095 1.00 0.00 C ATOM 790 CG ASP A 52 6.780 -0.296 7.638 1.00 0.00 C ATOM 791 OD1 ASP A 52 5.904 -0.824 8.321 1.00 0.00 O ATOM 792 OD2 ASP A 52 7.788 0.240 8.061 1.00 0.00 O ATOM 0 H ASP A 52 5.933 -2.338 3.712 1.00 0.00 H new ATOM 0 HA ASP A 52 7.691 -2.157 5.971 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.435 0.331 5.653 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.698 0.157 5.798 1.00 0.00 H new ATOM 797 N LEU A 53 4.388 -1.901 5.839 1.00 0.00 N ATOM 798 CA LEU A 53 3.037 -2.444 6.196 1.00 0.00 C ATOM 799 C LEU A 53 2.118 -1.241 6.141 1.00 0.00 C ATOM 800 O LEU A 53 1.403 -1.101 5.170 1.00 0.00 O ATOM 801 CB LEU A 53 3.042 -3.050 7.629 1.00 0.00 C ATOM 802 CG LEU A 53 2.534 -4.510 7.643 1.00 0.00 C ATOM 803 CD1 LEU A 53 1.005 -4.558 7.473 1.00 0.00 C ATOM 804 CD2 LEU A 53 3.064 -5.393 6.472 1.00 0.00 C ATOM 0 H LEU A 53 4.346 -0.976 5.412 1.00 0.00 H new ATOM 0 HA LEU A 53 2.727 -3.243 5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.053 -3.014 8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.416 -2.442 8.282 1.00 0.00 H new ATOM 0 HG LEU A 53 2.891 -4.891 8.600 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.670 -5.595 7.486 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.531 -4.013 8.289 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.730 -4.100 6.523 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.656 -6.400 6.562 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.754 -4.960 5.521 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.152 -5.437 6.513 1.00 0.00 H new ATOM 816 N ALA A 54 2.200 -0.460 7.186 1.00 0.00 N ATOM 817 CA ALA A 54 1.396 0.809 7.372 1.00 0.00 C ATOM 818 C ALA A 54 0.785 1.330 6.063 1.00 0.00 C ATOM 819 O ALA A 54 -0.375 1.683 5.992 1.00 0.00 O ATOM 820 CB ALA A 54 2.316 1.882 7.973 1.00 0.00 C ATOM 0 H ALA A 54 2.826 -0.655 7.968 1.00 0.00 H new ATOM 0 HA ALA A 54 0.563 0.582 8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.754 2.805 8.115 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.697 1.538 8.935 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.151 2.066 7.297 1.00 0.00 H new ATOM 826 N LEU A 55 1.627 1.354 5.066 1.00 0.00 N ATOM 827 CA LEU A 55 1.293 1.796 3.716 1.00 0.00 C ATOM 828 C LEU A 55 0.305 0.769 3.130 1.00 0.00 C ATOM 829 O LEU A 55 -0.883 1.003 3.059 1.00 0.00 O ATOM 830 CB LEU A 55 2.657 1.861 3.059 1.00 0.00 C ATOM 831 CG LEU A 55 3.389 3.162 3.457 1.00 0.00 C ATOM 832 CD1 LEU A 55 4.849 3.104 2.994 1.00 0.00 C ATOM 833 CD2 LEU A 55 2.719 4.359 2.759 1.00 0.00 C ATOM 0 H LEU A 55 2.599 1.059 5.162 1.00 0.00 H new ATOM 0 HA LEU A 55 0.788 2.755 3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.252 0.997 3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.548 1.815 1.975 1.00 0.00 H new ATOM 0 HG LEU A 55 3.343 3.271 4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.358 4.025 3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.346 2.255 3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.883 2.991 1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.234 5.278 3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.773 4.227 1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.675 4.421 3.065 1.00 0.00 H new ATOM 845 N LEU A 56 0.797 -0.358 2.709 1.00 0.00 N ATOM 846 CA LEU A 56 -0.085 -1.416 2.131 1.00 0.00 C ATOM 847 C LEU A 56 -1.401 -1.545 2.909 1.00 0.00 C ATOM 848 O LEU A 56 -2.452 -1.707 2.309 1.00 0.00 O ATOM 849 CB LEU A 56 0.679 -2.716 2.166 1.00 0.00 C ATOM 850 CG LEU A 56 2.070 -2.621 1.473 1.00 0.00 C ATOM 851 CD1 LEU A 56 2.116 -1.587 0.313 1.00 0.00 C ATOM 852 CD2 LEU A 56 3.222 -2.413 2.498 1.00 0.00 C ATOM 0 H LEU A 56 1.788 -0.599 2.739 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.352 -1.151 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.816 -3.023 3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.088 -3.492 1.679 1.00 0.00 H new ATOM 0 HG LEU A 56 2.232 -3.591 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.115 -1.574 -0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.390 -1.865 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.876 -0.596 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.173 -2.353 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.055 -1.489 3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.246 -3.252 3.193 1.00 0.00 H new ATOM 864 N GLU A 57 -1.285 -1.456 4.215 1.00 0.00 N ATOM 865 CA GLU A 57 -2.498 -1.567 5.067 1.00 0.00 C ATOM 866 C GLU A 57 -3.583 -0.602 4.559 1.00 0.00 C ATOM 867 O GLU A 57 -4.733 -0.948 4.358 1.00 0.00 O ATOM 868 CB GLU A 57 -2.141 -1.207 6.530 1.00 0.00 C ATOM 869 CG GLU A 57 -1.082 -2.184 7.032 1.00 0.00 C ATOM 870 CD GLU A 57 -0.824 -2.019 8.530 1.00 0.00 C ATOM 871 OE1 GLU A 57 -1.723 -2.356 9.280 1.00 0.00 O ATOM 872 OE2 GLU A 57 0.265 -1.575 8.844 1.00 0.00 O ATOM 0 H GLU A 57 -0.409 -1.313 4.717 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.872 -2.590 5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.768 -0.184 6.587 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.030 -1.258 7.159 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.404 -3.205 6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.153 -2.027 6.483 1.00 0.00 H new ATOM 879 N THR A 58 -3.148 0.614 4.350 1.00 0.00 N ATOM 880 CA THR A 58 -4.084 1.673 3.863 1.00 0.00 C ATOM 881 C THR A 58 -4.321 1.661 2.338 1.00 0.00 C ATOM 882 O THR A 58 -5.147 2.427 1.868 1.00 0.00 O ATOM 883 CB THR A 58 -3.516 3.061 4.375 1.00 0.00 C ATOM 884 OG1 THR A 58 -4.322 4.114 3.863 1.00 0.00 O ATOM 885 CG2 THR A 58 -2.119 3.385 3.862 1.00 0.00 C ATOM 0 H THR A 58 -2.186 0.920 4.495 1.00 0.00 H new ATOM 0 HA THR A 58 -5.078 1.482 4.269 1.00 0.00 H new ATOM 0 HB THR A 58 -3.507 2.978 5.462 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.833 3.790 3.092 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.801 4.350 4.257 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.423 2.612 4.189 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.132 3.425 2.773 1.00 0.00 H new ATOM 893 N TYR A 59 -3.624 0.826 1.597 1.00 0.00 N ATOM 894 CA TYR A 59 -3.889 0.832 0.107 1.00 0.00 C ATOM 895 C TYR A 59 -5.163 0.027 -0.146 1.00 0.00 C ATOM 896 O TYR A 59 -5.801 0.113 -1.182 1.00 0.00 O ATOM 897 CB TYR A 59 -2.713 0.204 -0.637 1.00 0.00 C ATOM 898 CG TYR A 59 -1.675 1.309 -0.856 1.00 0.00 C ATOM 899 CD1 TYR A 59 -1.750 2.175 -1.929 1.00 0.00 C ATOM 900 CD2 TYR A 59 -0.647 1.451 0.031 1.00 0.00 C ATOM 901 CE1 TYR A 59 -0.803 3.163 -2.099 1.00 0.00 C ATOM 902 CE2 TYR A 59 0.292 2.427 -0.131 1.00 0.00 C ATOM 903 CZ TYR A 59 0.229 3.292 -1.195 1.00 0.00 C ATOM 904 OH TYR A 59 1.196 4.261 -1.345 1.00 0.00 O ATOM 0 H TYR A 59 -2.917 0.170 1.931 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.010 1.854 -0.253 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.286 -0.616 -0.060 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.039 -0.213 -1.590 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.557 2.078 -2.641 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.576 0.780 0.874 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.870 3.836 -2.941 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.094 2.520 0.586 1.00 0.00 H new ATOM 0 HH TYR A 59 2.025 3.966 -0.914 1.00 0.00 H new ATOM 914 N CYS A 60 -5.463 -0.758 0.848 1.00 0.00 N ATOM 915 CA CYS A 60 -6.659 -1.612 0.816 1.00 0.00 C ATOM 916 C CYS A 60 -7.952 -0.833 0.505 1.00 0.00 C ATOM 917 O CYS A 60 -8.115 0.325 0.826 1.00 0.00 O ATOM 918 CB CYS A 60 -6.730 -2.283 2.153 1.00 0.00 C ATOM 919 SG CYS A 60 -7.827 -3.710 2.136 1.00 0.00 S ATOM 0 H CYS A 60 -4.908 -0.839 1.700 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.576 -2.337 0.006 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.731 -2.598 2.454 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.077 -1.568 2.899 1.00 0.00 H new ATOM 924 N ALA A 61 -8.859 -1.534 -0.115 1.00 0.00 N ATOM 925 CA ALA A 61 -10.184 -0.966 -0.524 1.00 0.00 C ATOM 926 C ALA A 61 -11.090 -0.650 0.652 1.00 0.00 C ATOM 927 O ALA A 61 -12.139 -0.059 0.491 1.00 0.00 O ATOM 928 CB ALA A 61 -10.885 -1.965 -1.454 1.00 0.00 C ATOM 0 H ALA A 61 -8.735 -2.515 -0.366 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.989 -0.021 -1.032 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.851 -1.562 -1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.268 -2.135 -2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.034 -2.908 -0.929 1.00 0.00 H new ATOM 934 N THR A 62 -10.668 -1.060 1.814 1.00 0.00 N ATOM 935 CA THR A 62 -11.507 -0.774 3.018 1.00 0.00 C ATOM 936 C THR A 62 -11.502 0.767 3.151 1.00 0.00 C ATOM 937 O THR A 62 -10.548 1.387 2.713 1.00 0.00 O ATOM 938 CB THR A 62 -10.862 -1.480 4.256 1.00 0.00 C ATOM 939 OG1 THR A 62 -11.408 -0.933 5.446 1.00 0.00 O ATOM 940 CG2 THR A 62 -9.357 -1.272 4.338 1.00 0.00 C ATOM 0 H THR A 62 -9.801 -1.569 1.985 1.00 0.00 H new ATOM 0 HA THR A 62 -12.529 -1.144 2.943 1.00 0.00 H new ATOM 0 HB THR A 62 -11.072 -2.544 4.145 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.007 -1.375 6.223 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.966 -1.785 5.217 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.885 -1.676 3.442 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.141 -0.206 4.414 1.00 0.00 H new ATOM 948 N PRO A 63 -12.530 1.352 3.729 1.00 0.00 N ATOM 949 CA PRO A 63 -12.571 2.825 3.968 1.00 0.00 C ATOM 950 C PRO A 63 -11.405 3.173 4.913 1.00 0.00 C ATOM 951 O PRO A 63 -11.578 3.356 6.101 1.00 0.00 O ATOM 952 CB PRO A 63 -13.987 3.056 4.541 1.00 0.00 C ATOM 953 CG PRO A 63 -14.320 1.701 5.212 1.00 0.00 C ATOM 954 CD PRO A 63 -13.757 0.663 4.223 1.00 0.00 C ATOM 0 HA PRO A 63 -12.432 3.469 3.100 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.002 3.876 5.259 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.703 3.305 3.758 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -13.854 1.614 6.194 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -15.393 1.577 5.356 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.527 -0.284 4.711 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -14.457 0.444 3.416 1.00 0.00 H new ATOM 962 N ALA A 64 -10.251 3.246 4.308 1.00 0.00 N ATOM 963 CA ALA A 64 -8.966 3.553 4.993 1.00 0.00 C ATOM 964 C ALA A 64 -8.243 4.710 4.288 1.00 0.00 C ATOM 965 O ALA A 64 -7.321 4.515 3.518 1.00 0.00 O ATOM 966 CB ALA A 64 -8.140 2.245 4.970 1.00 0.00 C ATOM 0 H ALA A 64 -10.145 3.095 3.305 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.121 3.881 6.021 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.181 2.411 5.462 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.686 1.461 5.495 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.970 1.940 3.937 1.00 0.00 H new ATOM 972 N LYS A 65 -8.690 5.905 4.559 1.00 0.00 N ATOM 973 CA LYS A 65 -8.120 7.112 3.985 1.00 0.00 C ATOM 974 C LYS A 65 -7.269 7.759 5.096 1.00 0.00 C ATOM 975 O LYS A 65 -7.840 8.423 5.941 1.00 0.00 O ATOM 976 CB LYS A 65 -9.315 7.902 3.593 1.00 0.00 C ATOM 977 CG LYS A 65 -10.082 7.243 2.405 1.00 0.00 C ATOM 978 CD LYS A 65 -10.946 8.290 1.641 1.00 0.00 C ATOM 979 CE LYS A 65 -11.835 9.128 2.584 1.00 0.00 C ATOM 980 NZ LYS A 65 -12.830 8.273 3.306 1.00 0.00 N ATOM 0 H LYS A 65 -9.470 6.080 5.192 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.466 6.989 3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.984 7.998 4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.008 8.910 3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.370 6.785 1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.722 6.444 2.780 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.291 8.955 1.079 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.576 7.776 0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.209 9.649 3.308 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.359 9.891 2.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.411 8.868 3.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.443 7.795 2.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.328 7.561 3.874 1.00 0.00 H new ATOM 994 N SER A 66 -5.976 7.547 5.041 1.00 0.00 N ATOM 995 CA SER A 66 -4.988 8.079 6.022 1.00 0.00 C ATOM 996 C SER A 66 -5.149 7.377 7.388 1.00 0.00 C ATOM 997 O SER A 66 -6.247 7.050 7.792 1.00 0.00 O ATOM 998 CB SER A 66 -5.204 9.573 6.155 1.00 0.00 C ATOM 999 OG SER A 66 -4.961 10.129 4.859 1.00 0.00 O ATOM 0 H SER A 66 -5.545 6.989 4.304 1.00 0.00 H new ATOM 0 HA SER A 66 -3.974 7.885 5.672 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.219 9.791 6.488 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.527 10.000 6.895 1.00 0.00 H new ATOM 0 HG SER A 66 -5.090 11.100 4.890 1.00 0.00 H new ATOM 1005 N GLU A 67 -4.051 7.172 8.063 1.00 0.00 N ATOM 1006 CA GLU A 67 -4.071 6.497 9.390 1.00 0.00 C ATOM 1007 C GLU A 67 -3.105 7.289 10.309 1.00 0.00 C ATOM 1008 O GLU A 67 -2.229 7.944 9.757 1.00 0.00 O ATOM 1009 CB GLU A 67 -3.632 5.033 9.103 1.00 0.00 C ATOM 1010 CG GLU A 67 -4.237 4.015 10.090 1.00 0.00 C ATOM 1011 CD GLU A 67 -3.970 2.598 9.552 1.00 0.00 C ATOM 1012 OE1 GLU A 67 -4.657 2.253 8.600 1.00 0.00 O ATOM 1013 OE2 GLU A 67 -3.105 1.950 10.117 1.00 0.00 O ATOM 1014 OXT GLU A 67 -3.290 7.210 11.512 1.00 0.00 O ATOM 0 H GLU A 67 -3.123 7.450 7.743 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.035 6.473 9.897 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.925 4.764 8.088 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.545 4.971 9.147 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.793 4.135 11.078 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.308 4.183 10.199 1.00 0.00 H new TER 1021 GLU A 67