USER MOD reduce.3.24.130724 H: found=0, std=0, add=243, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 243 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 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -159:sc= 1.43 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 14.593 9.340 -4.119 1.00 0.00 N ATOM 2 CA ASP A 1 13.946 10.559 -3.550 1.00 0.00 C ATOM 3 C ASP A 1 12.423 10.479 -3.717 1.00 0.00 C ATOM 4 O ASP A 1 11.880 10.847 -4.744 1.00 0.00 O ATOM 5 CB ASP A 1 14.520 11.733 -4.352 1.00 0.00 C ATOM 6 CG ASP A 1 14.168 13.050 -3.656 1.00 0.00 C ATOM 7 OD1 ASP A 1 14.902 13.441 -2.763 1.00 0.00 O ATOM 8 OD2 ASP A 1 13.169 13.645 -4.026 1.00 0.00 O ATOM 0 H1 ASP A 1 15.624 9.406 -4.000 1.00 0.00 H new ATOM 0 H2 ASP A 1 14.241 8.496 -3.623 1.00 0.00 H new ATOM 0 H3 ASP A 1 14.366 9.267 -5.131 1.00 0.00 H new ATOM 0 HA ASP A 1 14.141 10.668 -2.483 1.00 0.00 H new ATOM 0 HB2 ASP A 1 15.602 11.633 -4.438 1.00 0.00 H new ATOM 0 HB3 ASP A 1 14.117 11.726 -5.365 1.00 0.00 H new ATOM 15 N GLY A 2 11.730 10.000 -2.713 1.00 0.00 N ATOM 16 CA GLY A 2 10.244 9.893 -2.803 1.00 0.00 C ATOM 17 C GLY A 2 9.847 8.445 -3.097 1.00 0.00 C ATOM 18 O GLY A 2 9.376 8.128 -4.174 1.00 0.00 O ATOM 0 H GLY A 2 12.133 9.678 -1.833 1.00 0.00 H new ATOM 0 HA2 GLY A 2 9.789 10.222 -1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 2 9.870 10.549 -3.589 1.00 0.00 H new ATOM 22 N GLU A 3 10.029 7.566 -2.143 1.00 0.00 N ATOM 23 CA GLU A 3 9.659 6.133 -2.357 1.00 0.00 C ATOM 24 C GLU A 3 8.175 5.925 -2.032 1.00 0.00 C ATOM 25 O GLU A 3 7.795 5.775 -0.885 1.00 0.00 O ATOM 26 CB GLU A 3 10.543 5.341 -1.391 1.00 0.00 C ATOM 27 CG GLU A 3 11.696 4.694 -2.162 1.00 0.00 C ATOM 28 CD GLU A 3 12.694 4.089 -1.172 1.00 0.00 C ATOM 29 OE1 GLU A 3 13.601 4.798 -0.768 1.00 0.00 O ATOM 30 OE2 GLU A 3 12.533 2.927 -0.834 1.00 0.00 O ATOM 0 H GLU A 3 10.418 7.779 -1.225 1.00 0.00 H new ATOM 0 HA GLU A 3 9.808 5.814 -3.389 1.00 0.00 H new ATOM 0 HB2 GLU A 3 10.935 6.001 -0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 3 9.953 4.575 -0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.314 3.921 -2.828 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.192 5.437 -2.787 1.00 0.00 H new ATOM 37 N CYS A 4 7.332 5.925 -3.035 1.00 0.00 N ATOM 38 CA CYS A 4 5.869 5.738 -2.790 1.00 0.00 C ATOM 39 C CYS A 4 5.254 4.844 -3.873 1.00 0.00 C ATOM 40 O CYS A 4 5.794 4.698 -4.955 1.00 0.00 O ATOM 41 CB CYS A 4 5.286 7.157 -2.830 1.00 0.00 C ATOM 42 SG CYS A 4 3.751 7.195 -3.791 1.00 0.00 S ATOM 0 H CYS A 4 7.594 6.047 -4.013 1.00 0.00 H new ATOM 0 HA CYS A 4 5.660 5.244 -1.841 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.094 7.505 -1.815 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.012 7.841 -3.269 1.00 0.00 H new ATOM 47 N GLY A 5 4.124 4.248 -3.585 1.00 0.00 N ATOM 48 CA GLY A 5 3.457 3.367 -4.583 1.00 0.00 C ATOM 49 C GLY A 5 2.409 4.173 -5.357 1.00 0.00 C ATOM 50 O GLY A 5 2.718 5.173 -5.976 1.00 0.00 O ATOM 0 H GLY A 5 3.634 4.337 -2.695 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.195 2.955 -5.271 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.984 2.523 -4.080 1.00 0.00 H new ATOM 54 N GLY A 6 1.174 3.741 -5.327 1.00 0.00 N ATOM 55 CA GLY A 6 0.099 4.476 -6.059 1.00 0.00 C ATOM 56 C GLY A 6 -1.246 4.266 -5.352 1.00 0.00 C ATOM 57 O GLY A 6 -1.303 4.084 -4.150 1.00 0.00 O ATOM 0 H GLY A 6 0.863 2.909 -4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 6 0.336 5.539 -6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.039 4.122 -7.088 1.00 0.00 H new ATOM 61 N PHE A 7 -2.330 4.290 -6.090 1.00 0.00 N ATOM 62 CA PHE A 7 -3.677 4.095 -5.464 1.00 0.00 C ATOM 63 C PHE A 7 -3.966 2.606 -5.246 1.00 0.00 C ATOM 64 O PHE A 7 -4.474 2.215 -4.217 1.00 0.00 O ATOM 65 CB PHE A 7 -4.677 4.703 -6.456 1.00 0.00 C ATOM 66 CG PHE A 7 -6.090 4.409 -6.000 1.00 0.00 C ATOM 67 CD1 PHE A 7 -6.505 4.787 -4.716 1.00 0.00 C ATOM 68 CD2 PHE A 7 -6.980 3.753 -6.857 1.00 0.00 C ATOM 69 CE1 PHE A 7 -7.809 4.509 -4.292 1.00 0.00 C ATOM 70 CE2 PHE A 7 -8.286 3.477 -6.435 1.00 0.00 C ATOM 71 CZ PHE A 7 -8.699 3.854 -5.151 1.00 0.00 C ATOM 0 H PHE A 7 -2.341 4.436 -7.099 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.739 4.568 -4.484 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.524 5.780 -6.527 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -4.513 4.291 -7.452 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -5.818 5.293 -4.054 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.659 3.459 -7.845 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -8.129 4.800 -3.302 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.974 2.974 -7.099 1.00 0.00 H new ATOM 0 HZ PHE A 7 -9.705 3.639 -4.823 1.00 0.00 H new ATOM 81 N TRP A 8 -3.649 1.779 -6.205 1.00 0.00 N ATOM 82 CA TRP A 8 -3.905 0.316 -6.048 1.00 0.00 C ATOM 83 C TRP A 8 -2.701 -0.483 -6.558 1.00 0.00 C ATOM 84 O TRP A 8 -2.731 -1.069 -7.624 1.00 0.00 O ATOM 85 CB TRP A 8 -5.158 0.032 -6.884 1.00 0.00 C ATOM 86 CG TRP A 8 -5.739 -1.287 -6.483 1.00 0.00 C ATOM 87 CD1 TRP A 8 -6.329 -1.549 -5.292 1.00 0.00 C ATOM 88 CD2 TRP A 8 -5.796 -2.525 -7.248 1.00 0.00 C ATOM 89 NE1 TRP A 8 -6.741 -2.870 -5.277 1.00 0.00 N ATOM 90 CE2 TRP A 8 -6.435 -3.513 -6.462 1.00 0.00 C ATOM 91 CE3 TRP A 8 -5.359 -2.885 -8.535 1.00 0.00 C ATOM 92 CZ2 TRP A 8 -6.633 -4.811 -6.936 1.00 0.00 C ATOM 93 CZ3 TRP A 8 -5.557 -4.189 -9.016 1.00 0.00 C ATOM 94 CH2 TRP A 8 -6.193 -5.151 -8.217 1.00 0.00 C ATOM 0 H TRP A 8 -3.224 2.052 -7.091 1.00 0.00 H new ATOM 0 HA TRP A 8 -4.053 0.027 -5.007 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -5.892 0.824 -6.738 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.906 0.023 -7.944 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -6.457 -0.842 -4.486 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -7.212 -3.314 -4.489 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.867 -2.153 -9.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -7.123 -5.547 -6.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.218 -4.453 -10.007 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -6.342 -6.153 -8.592 1.00 0.00 H new ATOM 105 N TRP A 9 -1.637 -0.500 -5.795 1.00 0.00 N ATOM 106 CA TRP A 9 -0.412 -1.249 -6.213 1.00 0.00 C ATOM 107 C TRP A 9 -0.329 -2.571 -5.449 1.00 0.00 C ATOM 108 O TRP A 9 -1.116 -2.831 -4.563 1.00 0.00 O ATOM 109 CB TRP A 9 0.759 -0.333 -5.837 1.00 0.00 C ATOM 110 CG TRP A 9 0.878 0.784 -6.829 1.00 0.00 C ATOM 111 CD1 TRP A 9 -0.156 1.379 -7.471 1.00 0.00 C ATOM 112 CD2 TRP A 9 2.083 1.451 -7.296 1.00 0.00 C ATOM 113 NE1 TRP A 9 0.340 2.367 -8.297 1.00 0.00 N ATOM 114 CE2 TRP A 9 1.713 2.451 -8.224 1.00 0.00 C ATOM 115 CE3 TRP A 9 3.450 1.288 -7.008 1.00 0.00 C ATOM 116 CZ2 TRP A 9 2.661 3.264 -8.840 1.00 0.00 C ATOM 117 CZ3 TRP A 9 4.407 2.106 -7.629 1.00 0.00 C ATOM 118 CH2 TRP A 9 4.013 3.091 -8.542 1.00 0.00 C ATOM 0 H TRP A 9 -1.564 -0.025 -4.896 1.00 0.00 H new ATOM 0 HA TRP A 9 -0.411 -1.491 -7.276 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.607 0.073 -4.837 1.00 0.00 H new ATOM 0 HB3 TRP A 9 1.686 -0.907 -5.810 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -1.199 1.122 -7.355 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -0.239 2.962 -8.889 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.765 0.530 -6.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 2.352 4.023 -9.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.454 1.974 -7.401 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.755 3.717 -9.016 1.00 0.00 H new ATOM 129 N LYS A 10 0.618 -3.412 -5.778 1.00 0.00 N ATOM 130 CA LYS A 10 0.738 -4.716 -5.056 1.00 0.00 C ATOM 131 C LYS A 10 1.654 -4.567 -3.847 1.00 0.00 C ATOM 132 O LYS A 10 2.680 -3.914 -3.907 1.00 0.00 O ATOM 133 CB LYS A 10 1.353 -5.692 -6.056 1.00 0.00 C ATOM 134 CG LYS A 10 0.242 -6.494 -6.739 1.00 0.00 C ATOM 135 CD LYS A 10 0.305 -6.275 -8.254 1.00 0.00 C ATOM 136 CE LYS A 10 -0.420 -4.973 -8.618 1.00 0.00 C ATOM 137 NZ LYS A 10 -1.404 -5.353 -9.671 1.00 0.00 N ATOM 0 H LYS A 10 1.310 -3.254 -6.511 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.230 -5.062 -4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.933 -5.148 -6.801 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.041 -6.366 -5.546 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.352 -7.554 -6.510 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.731 -6.185 -6.357 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.344 -6.228 -8.582 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.155 -7.116 -8.772 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.919 -4.545 -7.749 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.280 -4.223 -8.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.937 -4.511 -9.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.900 -5.751 -10.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.062 -6.063 -9.291 1.00 0.00 H new ATOM 151 N CYS A 11 1.295 -5.174 -2.747 1.00 0.00 N ATOM 152 CA CYS A 11 2.145 -5.078 -1.531 1.00 0.00 C ATOM 153 C CYS A 11 1.980 -6.333 -0.670 1.00 0.00 C ATOM 154 O CYS A 11 1.010 -7.059 -0.791 1.00 0.00 O ATOM 155 CB CYS A 11 1.633 -3.840 -0.794 1.00 0.00 C ATOM 156 SG CYS A 11 2.504 -3.652 0.782 1.00 0.00 S ATOM 0 H CYS A 11 0.448 -5.732 -2.641 1.00 0.00 H new ATOM 0 HA CYS A 11 3.206 -5.000 -1.768 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.782 -2.953 -1.409 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.561 -3.929 -0.618 1.00 0.00 H new ATOM 161 N GLY A 12 2.918 -6.581 0.206 1.00 0.00 N ATOM 162 CA GLY A 12 2.825 -7.777 1.091 1.00 0.00 C ATOM 163 C GLY A 12 2.565 -7.315 2.524 1.00 0.00 C ATOM 164 O GLY A 12 1.547 -6.717 2.815 1.00 0.00 O ATOM 0 H GLY A 12 3.747 -6.004 0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.022 -8.433 0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.749 -8.354 1.043 1.00 0.00 H new ATOM 168 N ARG A 13 3.481 -7.576 3.422 1.00 0.00 N ATOM 169 CA ARG A 13 3.293 -7.136 4.842 1.00 0.00 C ATOM 170 C ARG A 13 3.891 -5.732 5.045 1.00 0.00 C ATOM 171 O ARG A 13 4.332 -5.389 6.128 1.00 0.00 O ATOM 172 CB ARG A 13 4.048 -8.169 5.689 1.00 0.00 C ATOM 173 CG ARG A 13 3.443 -9.562 5.481 1.00 0.00 C ATOM 174 CD ARG A 13 2.567 -9.929 6.682 1.00 0.00 C ATOM 175 NE ARG A 13 2.408 -11.409 6.604 1.00 0.00 N ATOM 176 CZ ARG A 13 2.793 -12.162 7.600 1.00 0.00 C ATOM 177 NH1 ARG A 13 1.976 -12.398 8.594 1.00 0.00 N ATOM 178 NH2 ARG A 13 3.993 -12.680 7.601 1.00 0.00 N ATOM 0 H ARG A 13 4.351 -8.074 3.235 1.00 0.00 H new ATOM 0 HA ARG A 13 2.240 -7.079 5.118 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.102 -8.177 5.413 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.996 -7.895 6.743 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.849 -9.578 4.567 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.237 -10.299 5.359 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.037 -9.631 7.619 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.602 -9.425 6.635 1.00 0.00 H new ATOM 0 HE ARG A 13 1.998 -11.834 5.772 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.039 -11.994 8.591 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.276 -12.986 9.372 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.628 -12.496 6.825 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.294 -13.268 8.378 1.00 0.00 H new ATOM 192 N GLY A 14 3.909 -4.922 4.011 1.00 0.00 N ATOM 193 CA GLY A 14 4.477 -3.548 4.133 1.00 0.00 C ATOM 194 C GLY A 14 5.887 -3.513 3.527 1.00 0.00 C ATOM 195 O GLY A 14 6.752 -2.805 4.006 1.00 0.00 O ATOM 0 H GLY A 14 3.552 -5.159 3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.834 -2.832 3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.514 -3.252 5.181 1.00 0.00 H new ATOM 199 N LYS A 15 6.125 -4.266 2.479 1.00 0.00 N ATOM 200 CA LYS A 15 7.483 -4.263 1.846 1.00 0.00 C ATOM 201 C LYS A 15 7.670 -2.992 1.003 1.00 0.00 C ATOM 202 O LYS A 15 8.558 -2.206 1.271 1.00 0.00 O ATOM 203 CB LYS A 15 7.542 -5.522 0.969 1.00 0.00 C ATOM 204 CG LYS A 15 8.656 -6.447 1.470 1.00 0.00 C ATOM 205 CD LYS A 15 8.055 -7.785 1.917 1.00 0.00 C ATOM 206 CE LYS A 15 8.606 -8.917 1.044 1.00 0.00 C ATOM 207 NZ LYS A 15 9.203 -9.891 2.000 1.00 0.00 N ATOM 0 H LYS A 15 5.441 -4.880 2.036 1.00 0.00 H new ATOM 0 HA LYS A 15 8.279 -4.269 2.590 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.584 -6.042 0.997 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.725 -5.246 -0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.388 -6.612 0.679 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.184 -5.979 2.301 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.295 -7.971 2.964 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.968 -7.750 1.840 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.815 -9.379 0.453 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.353 -8.546 0.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.601 -10.695 1.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.958 -9.426 2.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.468 -10.234 2.651 1.00 0.00 H new ATOM 221 N PRO A 16 6.817 -2.820 0.015 1.00 0.00 N ATOM 222 CA PRO A 16 6.895 -1.622 -0.856 1.00 0.00 C ATOM 223 C PRO A 16 6.354 -0.392 -0.111 1.00 0.00 C ATOM 224 O PRO A 16 5.267 -0.430 0.433 1.00 0.00 O ATOM 225 CB PRO A 16 6.003 -1.979 -2.041 1.00 0.00 C ATOM 226 CG PRO A 16 5.040 -2.995 -1.516 1.00 0.00 C ATOM 227 CD PRO A 16 5.721 -3.713 -0.378 1.00 0.00 C ATOM 0 HA PRO A 16 7.912 -1.374 -1.160 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.481 -1.100 -2.419 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.589 -2.382 -2.867 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.123 -2.515 -1.174 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.758 -3.698 -2.300 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.034 -3.886 0.450 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.096 -4.688 -0.691 1.00 0.00 H new ATOM 235 N PRO A 17 7.137 0.661 -0.107 1.00 0.00 N ATOM 236 CA PRO A 17 6.729 1.911 0.588 1.00 0.00 C ATOM 237 C PRO A 17 5.581 2.599 -0.167 1.00 0.00 C ATOM 238 O PRO A 17 5.760 3.104 -1.258 1.00 0.00 O ATOM 239 CB PRO A 17 7.996 2.764 0.564 1.00 0.00 C ATOM 240 CG PRO A 17 8.779 2.257 -0.603 1.00 0.00 C ATOM 241 CD PRO A 17 8.460 0.791 -0.738 1.00 0.00 C ATOM 0 HA PRO A 17 6.359 1.739 1.599 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.758 3.822 0.451 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.559 2.662 1.492 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.511 2.796 -1.512 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.847 2.407 -0.446 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.437 0.481 -1.783 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.205 0.172 -0.238 1.00 0.00 H new ATOM 249 N CYS A 18 4.407 2.621 0.416 1.00 0.00 N ATOM 250 CA CYS A 18 3.240 3.278 -0.255 1.00 0.00 C ATOM 251 C CYS A 18 3.259 4.789 0.018 1.00 0.00 C ATOM 252 O CYS A 18 3.914 5.254 0.932 1.00 0.00 O ATOM 253 CB CYS A 18 1.998 2.631 0.370 1.00 0.00 C ATOM 254 SG CYS A 18 1.961 0.868 -0.035 1.00 0.00 S ATOM 0 H CYS A 18 4.206 2.212 1.329 1.00 0.00 H new ATOM 0 HA CYS A 18 3.259 3.149 -1.337 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.011 2.765 1.452 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.096 3.118 -0.001 1.00 0.00 H new ATOM 259 N CYS A 19 2.548 5.554 -0.774 1.00 0.00 N ATOM 260 CA CYS A 19 2.522 7.039 -0.573 1.00 0.00 C ATOM 261 C CYS A 19 1.929 7.389 0.797 1.00 0.00 C ATOM 262 O CYS A 19 1.096 6.673 1.322 1.00 0.00 O ATOM 263 CB CYS A 19 1.624 7.582 -1.688 1.00 0.00 C ATOM 264 SG CYS A 19 2.612 8.564 -2.841 1.00 0.00 S ATOM 0 H CYS A 19 1.983 5.215 -1.553 1.00 0.00 H new ATOM 0 HA CYS A 19 3.524 7.467 -0.606 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.144 6.758 -2.216 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.829 8.194 -1.262 1.00 0.00 H new ATOM 269 N LYS A 20 2.354 8.487 1.375 1.00 0.00 N ATOM 270 CA LYS A 20 1.823 8.900 2.706 1.00 0.00 C ATOM 271 C LYS A 20 0.294 9.000 2.660 1.00 0.00 C ATOM 272 O LYS A 20 -0.265 9.718 1.851 1.00 0.00 O ATOM 273 CB LYS A 20 2.445 10.273 2.978 1.00 0.00 C ATOM 274 CG LYS A 20 2.268 10.629 4.459 1.00 0.00 C ATOM 275 CD LYS A 20 3.591 11.158 5.022 1.00 0.00 C ATOM 276 CE LYS A 20 3.907 10.450 6.345 1.00 0.00 C ATOM 277 NZ LYS A 20 3.174 11.224 7.387 1.00 0.00 N ATOM 0 H LYS A 20 3.051 9.117 0.977 1.00 0.00 H new ATOM 0 HA LYS A 20 2.070 8.182 3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.504 10.262 2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.972 11.029 2.352 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.487 11.381 4.572 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.948 9.750 5.019 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.396 10.989 4.306 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.526 12.234 5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.580 9.411 6.323 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.979 10.442 6.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.344 10.797 8.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.511 12.208 7.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.155 11.208 7.179 1.00 0.00 H new ATOM 291 N GLY A 21 -0.380 8.276 3.516 1.00 0.00 N ATOM 292 CA GLY A 21 -1.874 8.311 3.522 1.00 0.00 C ATOM 293 C GLY A 21 -2.424 6.955 3.058 1.00 0.00 C ATOM 294 O GLY A 21 -3.521 6.570 3.419 1.00 0.00 O ATOM 0 H GLY A 21 0.040 7.661 4.213 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.238 8.539 4.524 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.232 9.104 2.865 1.00 0.00 H new ATOM 298 N TYR A 22 -1.671 6.228 2.262 1.00 0.00 N ATOM 299 CA TYR A 22 -2.149 4.896 1.773 1.00 0.00 C ATOM 300 C TYR A 22 -1.733 3.800 2.761 1.00 0.00 C ATOM 301 O TYR A 22 -0.835 3.982 3.561 1.00 0.00 O ATOM 302 CB TYR A 22 -1.452 4.673 0.421 1.00 0.00 C ATOM 303 CG TYR A 22 -1.781 5.784 -0.563 1.00 0.00 C ATOM 304 CD1 TYR A 22 -2.789 6.721 -0.286 1.00 0.00 C ATOM 305 CD2 TYR A 22 -1.069 5.866 -1.764 1.00 0.00 C ATOM 306 CE1 TYR A 22 -3.076 7.734 -1.209 1.00 0.00 C ATOM 307 CE2 TYR A 22 -1.358 6.877 -2.686 1.00 0.00 C ATOM 308 CZ TYR A 22 -2.361 7.811 -2.410 1.00 0.00 C ATOM 309 OH TYR A 22 -2.647 8.806 -3.321 1.00 0.00 O ATOM 0 H TYR A 22 -0.746 6.502 1.931 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.234 4.865 1.678 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.373 4.624 0.570 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.760 3.714 0.005 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.343 6.660 0.639 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.293 5.146 -1.980 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -3.850 8.456 -0.994 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.806 6.936 -3.612 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.058 8.716 -4.099 1.00 0.00 H new ATOM 319 N ALA A 23 -2.380 2.665 2.708 1.00 0.00 N ATOM 320 CA ALA A 23 -2.027 1.551 3.638 1.00 0.00 C ATOM 321 C ALA A 23 -1.884 0.236 2.863 1.00 0.00 C ATOM 322 O ALA A 23 -2.595 -0.013 1.908 1.00 0.00 O ATOM 323 CB ALA A 23 -3.197 1.470 4.620 1.00 0.00 C ATOM 0 H ALA A 23 -3.140 2.461 2.059 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.078 1.723 4.146 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.014 0.672 5.339 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.295 2.419 5.148 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.117 1.262 4.074 1.00 0.00 H new ATOM 329 N CYS A 24 -0.967 -0.604 3.274 1.00 0.00 N ATOM 330 CA CYS A 24 -0.764 -1.907 2.567 1.00 0.00 C ATOM 331 C CYS A 24 -1.660 -2.989 3.180 1.00 0.00 C ATOM 332 O CYS A 24 -2.167 -2.842 4.278 1.00 0.00 O ATOM 333 CB CYS A 24 0.715 -2.242 2.778 1.00 0.00 C ATOM 334 SG CYS A 24 1.062 -3.914 2.171 1.00 0.00 S ATOM 0 H CYS A 24 -0.349 -0.444 4.070 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.021 -1.851 1.509 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.339 -1.519 2.253 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.966 -2.171 3.836 1.00 0.00 H new ATOM 339 N SER A 25 -1.864 -4.072 2.474 1.00 0.00 N ATOM 340 CA SER A 25 -2.730 -5.162 3.007 1.00 0.00 C ATOM 341 C SER A 25 -2.124 -6.537 2.703 1.00 0.00 C ATOM 342 O SER A 25 -2.335 -7.096 1.646 1.00 0.00 O ATOM 343 CB SER A 25 -4.069 -4.991 2.290 1.00 0.00 C ATOM 344 OG SER A 25 -4.781 -3.906 2.873 1.00 0.00 O ATOM 0 H SER A 25 -1.467 -4.247 1.551 1.00 0.00 H new ATOM 0 HA SER A 25 -2.836 -5.105 4.090 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.905 -4.804 1.229 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.654 -5.907 2.366 1.00 0.00 H new ATOM 0 HG SER A 25 -5.735 -3.991 2.665 1.00 0.00 H new ATOM 350 N LYS A 26 -1.379 -7.093 3.630 1.00 0.00 N ATOM 351 CA LYS A 26 -0.770 -8.445 3.401 1.00 0.00 C ATOM 352 C LYS A 26 -1.869 -9.497 3.196 1.00 0.00 C ATOM 353 O LYS A 26 -1.693 -10.454 2.466 1.00 0.00 O ATOM 354 CB LYS A 26 0.045 -8.759 4.664 1.00 0.00 C ATOM 355 CG LYS A 26 -0.823 -8.618 5.923 1.00 0.00 C ATOM 356 CD LYS A 26 -0.212 -7.567 6.858 1.00 0.00 C ATOM 357 CE LYS A 26 -1.191 -6.398 7.024 1.00 0.00 C ATOM 358 NZ LYS A 26 -1.220 -6.117 8.488 1.00 0.00 N ATOM 0 H LYS A 26 -1.166 -6.671 4.534 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.144 -8.457 2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.443 -9.772 4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.899 -8.084 4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.837 -8.327 5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.895 -9.577 6.436 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.007 -8.012 7.829 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.733 -7.208 6.451 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.860 -5.525 6.462 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.182 -6.659 6.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.870 -5.328 8.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.546 -6.963 8.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.265 -5.864 8.812 1.00 0.00 H new ATOM 372 N THR A 27 -2.998 -9.320 3.834 1.00 0.00 N ATOM 373 CA THR A 27 -4.121 -10.297 3.686 1.00 0.00 C ATOM 374 C THR A 27 -4.757 -10.165 2.299 1.00 0.00 C ATOM 375 O THR A 27 -5.128 -11.145 1.682 1.00 0.00 O ATOM 376 CB THR A 27 -5.135 -9.923 4.778 1.00 0.00 C ATOM 377 OG1 THR A 27 -4.458 -9.733 6.014 1.00 0.00 O ATOM 378 CG2 THR A 27 -6.166 -11.044 4.931 1.00 0.00 C ATOM 0 H THR A 27 -3.192 -8.535 4.456 1.00 0.00 H new ATOM 0 HA THR A 27 -3.781 -11.328 3.787 1.00 0.00 H new ATOM 0 HB THR A 27 -5.642 -9.000 4.495 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.106 -9.493 6.709 1.00 0.00 H new ATOM 0 HG21 THR A 27 -6.883 -10.775 5.706 1.00 0.00 H new ATOM 0 HG22 THR A 27 -6.690 -11.188 3.986 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.660 -11.968 5.210 1.00 0.00 H new ATOM 386 N TRP A 28 -4.881 -8.958 1.809 1.00 0.00 N ATOM 387 CA TRP A 28 -5.490 -8.749 0.460 1.00 0.00 C ATOM 388 C TRP A 28 -4.427 -8.963 -0.624 1.00 0.00 C ATOM 389 O TRP A 28 -4.641 -9.682 -1.581 1.00 0.00 O ATOM 390 CB TRP A 28 -5.989 -7.297 0.455 1.00 0.00 C ATOM 391 CG TRP A 28 -7.003 -7.086 1.545 1.00 0.00 C ATOM 392 CD1 TRP A 28 -7.546 -8.061 2.314 1.00 0.00 C ATOM 393 CD2 TRP A 28 -7.603 -5.834 1.994 1.00 0.00 C ATOM 394 NE1 TRP A 28 -8.431 -7.486 3.206 1.00 0.00 N ATOM 395 CE2 TRP A 28 -8.505 -6.119 3.046 1.00 0.00 C ATOM 396 CE3 TRP A 28 -7.454 -4.493 1.595 1.00 0.00 C ATOM 397 CZ2 TRP A 28 -9.231 -5.112 3.681 1.00 0.00 C ATOM 398 CZ3 TRP A 28 -8.185 -3.476 2.231 1.00 0.00 C ATOM 399 CH2 TRP A 28 -9.073 -3.787 3.272 1.00 0.00 C ATOM 0 H TRP A 28 -4.586 -8.106 2.286 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.303 -9.447 0.259 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -5.149 -6.617 0.595 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.432 -7.062 -0.513 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -7.323 -9.115 2.241 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -8.965 -8.010 3.899 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.773 -4.244 0.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.911 -5.356 4.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -8.063 -2.450 1.917 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -9.634 -3.001 3.756 1.00 0.00 H new ATOM 410 N GLY A 29 -3.277 -8.359 -0.463 1.00 0.00 N ATOM 411 CA GLY A 29 -2.181 -8.534 -1.461 1.00 0.00 C ATOM 412 C GLY A 29 -1.906 -7.227 -2.219 1.00 0.00 C ATOM 413 O GLY A 29 -1.249 -7.238 -3.244 1.00 0.00 O ATOM 0 H GLY A 29 -3.050 -7.749 0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.273 -8.862 -0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.452 -9.318 -2.169 1.00 0.00 H new ATOM 417 N TRP A 30 -2.381 -6.100 -1.737 1.00 0.00 N ATOM 418 CA TRP A 30 -2.109 -4.818 -2.461 1.00 0.00 C ATOM 419 C TRP A 30 -2.075 -3.632 -1.486 1.00 0.00 C ATOM 420 O TRP A 30 -2.273 -3.788 -0.295 1.00 0.00 O ATOM 421 CB TRP A 30 -3.237 -4.680 -3.501 1.00 0.00 C ATOM 422 CG TRP A 30 -4.522 -4.261 -2.857 1.00 0.00 C ATOM 423 CD1 TRP A 30 -4.774 -3.032 -2.352 1.00 0.00 C ATOM 424 CD2 TRP A 30 -5.738 -5.039 -2.664 1.00 0.00 C ATOM 425 NE1 TRP A 30 -6.058 -3.011 -1.846 1.00 0.00 N ATOM 426 CE2 TRP A 30 -6.694 -4.223 -2.017 1.00 0.00 C ATOM 427 CE3 TRP A 30 -6.098 -6.362 -2.980 1.00 0.00 C ATOM 428 CZ2 TRP A 30 -7.965 -4.700 -1.696 1.00 0.00 C ATOM 429 CZ3 TRP A 30 -7.377 -6.845 -2.658 1.00 0.00 C ATOM 430 CH2 TRP A 30 -8.308 -6.014 -2.017 1.00 0.00 C ATOM 0 H TRP A 30 -2.937 -6.014 -0.886 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.133 -4.824 -2.946 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.951 -3.948 -4.256 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -3.379 -5.630 -4.016 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.083 -2.202 -2.346 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.484 -2.199 -1.400 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -5.387 -7.009 -3.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -8.679 -4.057 -1.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -7.645 -7.862 -2.905 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -9.290 -6.391 -1.772 1.00 0.00 H new ATOM 441 N CYS A 31 -1.819 -2.452 -1.991 1.00 0.00 N ATOM 442 CA CYS A 31 -1.762 -1.244 -1.115 1.00 0.00 C ATOM 443 C CYS A 31 -2.679 -0.153 -1.677 1.00 0.00 C ATOM 444 O CYS A 31 -2.627 0.166 -2.851 1.00 0.00 O ATOM 445 CB CYS A 31 -0.301 -0.790 -1.158 1.00 0.00 C ATOM 446 SG CYS A 31 0.025 0.346 0.210 1.00 0.00 S ATOM 0 H CYS A 31 -1.646 -2.273 -2.980 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.092 -1.451 -0.097 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.360 -1.654 -1.091 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.090 -0.300 -2.108 1.00 0.00 H new ATOM 451 N ALA A 32 -3.520 0.416 -0.850 1.00 0.00 N ATOM 452 CA ALA A 32 -4.446 1.484 -1.339 1.00 0.00 C ATOM 453 C ALA A 32 -4.765 2.480 -0.221 1.00 0.00 C ATOM 454 O ALA A 32 -4.295 2.351 0.892 1.00 0.00 O ATOM 455 CB ALA A 32 -5.713 0.741 -1.771 1.00 0.00 C ATOM 0 H ALA A 32 -3.606 0.188 0.141 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.008 2.061 -2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.445 1.457 -2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.467 0.030 -2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.130 0.206 -0.918 1.00 0.00 H new ATOM 461 N VAL A 33 -5.565 3.475 -0.514 1.00 0.00 N ATOM 462 CA VAL A 33 -5.922 4.487 0.526 1.00 0.00 C ATOM 463 C VAL A 33 -6.860 3.862 1.567 1.00 0.00 C ATOM 464 O VAL A 33 -7.876 3.282 1.228 1.00 0.00 O ATOM 465 CB VAL A 33 -6.634 5.619 -0.227 1.00 0.00 C ATOM 466 CG1 VAL A 33 -6.925 6.770 0.741 1.00 0.00 C ATOM 467 CG2 VAL A 33 -5.744 6.130 -1.367 1.00 0.00 C ATOM 0 H VAL A 33 -5.986 3.630 -1.430 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.044 4.851 1.059 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.568 5.240 -0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.431 7.575 0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.563 6.413 1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.988 7.142 1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.256 6.933 -1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.807 6.506 -0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.535 5.314 -2.059 1.00 0.00 H new ATOM 477 N GLU A 34 -6.525 3.976 2.828 1.00 0.00 N ATOM 478 CA GLU A 34 -7.396 3.389 3.898 1.00 0.00 C ATOM 479 C GLU A 34 -8.462 4.399 4.359 1.00 0.00 C ATOM 480 O GLU A 34 -9.443 4.027 4.973 1.00 0.00 O ATOM 481 CB GLU A 34 -6.445 3.030 5.048 1.00 0.00 C ATOM 482 CG GLU A 34 -5.797 4.296 5.624 1.00 0.00 C ATOM 483 CD GLU A 34 -6.158 4.431 7.106 1.00 0.00 C ATOM 484 OE1 GLU A 34 -7.313 4.694 7.395 1.00 0.00 O ATOM 485 OE2 GLU A 34 -5.271 4.267 7.927 1.00 0.00 O ATOM 0 H GLU A 34 -5.687 4.450 3.165 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.941 2.516 3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.993 2.506 5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.672 2.349 4.690 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.714 4.248 5.506 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.139 5.173 5.075 1.00 0.00 H new ATOM 492 N ALA A 35 -8.277 5.671 4.062 1.00 0.00 N ATOM 493 CA ALA A 35 -9.275 6.712 4.474 1.00 0.00 C ATOM 494 C ALA A 35 -9.479 6.700 5.999 1.00 0.00 C ATOM 495 O ALA A 35 -10.425 6.119 6.496 1.00 0.00 O ATOM 496 CB ALA A 35 -10.570 6.345 3.740 1.00 0.00 C ATOM 0 H ALA A 35 -7.472 6.031 3.549 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.942 7.718 4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.348 7.065 3.993 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.396 6.362 2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.888 5.346 4.040 1.00 0.00 H new ATOM 502 N PRO A 36 -8.576 7.351 6.693 1.00 0.00 N ATOM 503 CA PRO A 36 -8.653 7.419 8.176 1.00 0.00 C ATOM 504 C PRO A 36 -9.818 8.318 8.617 1.00 0.00 C ATOM 505 O PRO A 36 -10.717 7.804 9.262 1.00 0.00 O ATOM 506 CB PRO A 36 -7.305 8.019 8.579 1.00 0.00 C ATOM 507 CG PRO A 36 -6.849 8.785 7.380 1.00 0.00 C ATOM 508 CD PRO A 36 -7.408 8.079 6.171 1.00 0.00 C ATOM 0 HA PRO A 36 -8.835 6.450 8.641 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.406 8.669 9.448 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -6.590 7.240 8.845 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -7.202 9.815 7.423 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.761 8.822 7.337 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.694 8.786 5.392 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -6.677 7.399 5.732 1.00 0.00 H new TER 516 PRO A 36