USER MOD reduce.3.24.130724 H: found=0, std=0, add=146, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 146 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 NoAdj-H: A 1 ARG H1 : A 1 ARG N : A 14 PRO C :(NH2R) USER MOD NoAdj-H: A 1 ARG H2 : A 1 ARG N : A 14 PRO C :(NH2R) USER MOD Single : A 1 ARG N :NH3+ 180:sc= -0.233 (180deg=-0.233) USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.83! USER MOD Single : A 6 LYS NZ :NH3+ -152:sc= -0.131 (180deg=-0.724) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.223 0.788 0.305 1.00 0.00 N ATOM 2 CA ARG A 1 1.857 0.592 -0.987 1.00 0.00 C ATOM 3 C ARG A 1 3.046 -0.362 -0.855 1.00 0.00 C ATOM 4 O ARG A 1 3.458 -0.696 0.254 1.00 0.00 O ATOM 5 CB ARG A 1 2.340 1.921 -1.571 1.00 0.00 C ATOM 6 CG ARG A 1 3.388 2.569 -0.664 1.00 0.00 C ATOM 7 CD ARG A 1 4.616 3.003 -1.467 1.00 0.00 C ATOM 8 NE ARG A 1 5.699 3.423 -0.550 1.00 0.00 N ATOM 9 CZ ARG A 1 5.742 4.611 0.067 1.00 0.00 C ATOM 10 NH1 ARG A 1 4.765 5.505 -0.131 1.00 0.00 N ATOM 11 NH2 ARG A 1 6.764 4.905 0.883 1.00 0.00 N ATOM 0 H3 ARG A 1 0.417 1.438 0.201 1.00 0.00 H new ATOM 0 HA ARG A 1 1.114 0.162 -1.659 1.00 0.00 H new ATOM 0 HB2 ARG A 1 2.764 1.755 -2.561 1.00 0.00 H new ATOM 0 HB3 ARG A 1 1.494 2.597 -1.696 1.00 0.00 H new ATOM 0 HG2 ARG A 1 2.954 3.433 -0.161 1.00 0.00 H new ATOM 0 HG3 ARG A 1 3.687 1.865 0.113 1.00 0.00 H new ATOM 0 HD2 ARG A 1 4.959 2.181 -2.095 1.00 0.00 H new ATOM 0 HD3 ARG A 1 4.353 3.825 -2.133 1.00 0.00 H new ATOM 0 HE ARG A 1 6.460 2.767 -0.377 1.00 0.00 H new ATOM 0 HH11 ARG A 1 3.987 5.281 -0.752 1.00 0.00 H new ATOM 0 HH12 ARG A 1 4.798 6.410 0.339 1.00 0.00 H new ATOM 0 HH21 ARG A 1 7.508 4.224 1.034 1.00 0.00 H new ATOM 0 HH22 ARG A 1 6.797 5.810 1.353 1.00 0.00 H new ATOM 25 N VAL A 2 3.564 -0.773 -2.004 1.00 0.00 N ATOM 26 CA VAL A 2 4.698 -1.681 -2.030 1.00 0.00 C ATOM 27 C VAL A 2 5.982 -0.882 -2.256 1.00 0.00 C ATOM 28 O VAL A 2 6.081 0.271 -1.838 1.00 0.00 O ATOM 29 CB VAL A 2 4.475 -2.766 -3.086 1.00 0.00 C ATOM 30 CG1 VAL A 2 5.136 -4.081 -2.670 1.00 0.00 C ATOM 31 CG2 VAL A 2 2.983 -2.965 -3.360 1.00 0.00 C ATOM 0 H VAL A 2 3.219 -0.494 -2.923 1.00 0.00 H new ATOM 0 HA VAL A 2 4.799 -2.193 -1.073 1.00 0.00 H new ATOM 0 HB VAL A 2 4.945 -2.434 -4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 2 4.962 -4.835 -3.438 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.208 -3.927 -2.549 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.709 -4.420 -1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.852 -3.741 -4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 2 2.481 -3.264 -2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.552 -2.032 -3.722 1.00 0.00 H new ATOM 41 N ARG A 3 6.933 -1.524 -2.918 1.00 0.00 N ATOM 42 CA ARG A 3 8.207 -0.887 -3.206 1.00 0.00 C ATOM 43 C ARG A 3 9.152 -1.875 -3.894 1.00 0.00 C ATOM 44 O ARG A 3 8.841 -3.059 -4.008 1.00 0.00 O ATOM 45 CB ARG A 3 8.865 -0.369 -1.926 1.00 0.00 C ATOM 46 CG ARG A 3 9.590 0.954 -2.178 1.00 0.00 C ATOM 47 CD ARG A 3 9.253 1.980 -1.094 1.00 0.00 C ATOM 48 NE ARG A 3 10.496 2.473 -0.461 1.00 0.00 N ATOM 49 CZ ARG A 3 11.127 1.848 0.543 1.00 0.00 C ATOM 50 NH1 ARG A 3 10.636 0.702 1.032 1.00 0.00 N ATOM 51 NH2 ARG A 3 12.250 2.369 1.056 1.00 0.00 N ATOM 0 H ARG A 3 6.847 -2.480 -3.264 1.00 0.00 H new ATOM 0 HA ARG A 3 8.014 -0.043 -3.869 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.108 -0.231 -1.154 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.572 -1.109 -1.551 1.00 0.00 H new ATOM 0 HG2 ARG A 3 10.666 0.784 -2.201 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.309 1.346 -3.155 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.701 2.813 -1.529 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.607 1.528 -0.342 1.00 0.00 H new ATOM 0 HE ARG A 3 10.898 3.343 -0.810 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.782 0.305 0.640 1.00 0.00 H new ATOM 0 HH12 ARG A 3 11.116 0.226 1.796 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.625 3.241 0.683 1.00 0.00 H new ATOM 0 HH22 ARG A 3 12.730 1.893 1.820 1.00 0.00 H new ATOM 65 N THR A 4 10.286 -1.350 -4.334 1.00 0.00 N ATOM 66 CA THR A 4 11.278 -2.172 -5.007 1.00 0.00 C ATOM 67 C THR A 4 12.673 -1.567 -4.839 1.00 0.00 C ATOM 68 O THR A 4 12.825 -0.347 -4.807 1.00 0.00 O ATOM 69 CB THR A 4 10.853 -2.323 -6.469 1.00 0.00 C ATOM 70 OG1 THR A 4 9.448 -2.554 -6.400 1.00 0.00 O ATOM 71 CG2 THR A 4 11.409 -3.595 -7.111 1.00 0.00 C ATOM 0 H THR A 4 10.540 -0.367 -4.238 1.00 0.00 H new ATOM 0 HA THR A 4 11.334 -3.167 -4.565 1.00 0.00 H new ATOM 0 HB THR A 4 11.187 -1.454 -7.036 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.089 -2.662 -7.306 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.078 -3.654 -8.148 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.498 -3.573 -7.079 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.048 -4.466 -6.565 1.00 0.00 H new ATOM 79 N ARG A 5 13.657 -2.448 -4.736 1.00 0.00 N ATOM 80 CA ARG A 5 15.035 -2.017 -4.573 1.00 0.00 C ATOM 81 C ARG A 5 15.983 -3.213 -4.686 1.00 0.00 C ATOM 82 O ARG A 5 15.590 -4.348 -4.425 1.00 0.00 O ATOM 83 CB ARG A 5 15.242 -1.338 -3.218 1.00 0.00 C ATOM 84 CG ARG A 5 16.706 -0.943 -3.021 1.00 0.00 C ATOM 85 CD ARG A 5 16.857 0.048 -1.864 1.00 0.00 C ATOM 86 NE ARG A 5 18.181 -0.119 -1.224 1.00 0.00 N ATOM 87 CZ ARG A 5 18.581 -1.239 -0.608 1.00 0.00 C ATOM 88 NH1 ARG A 5 17.764 -2.298 -0.545 1.00 0.00 N ATOM 89 NH2 ARG A 5 19.801 -1.301 -0.055 1.00 0.00 N ATOM 0 H ARG A 5 13.527 -3.459 -4.762 1.00 0.00 H new ATOM 0 HA ARG A 5 15.254 -1.300 -5.364 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.610 -0.452 -3.151 1.00 0.00 H new ATOM 0 HB3 ARG A 5 14.933 -2.011 -2.419 1.00 0.00 H new ATOM 0 HG2 ARG A 5 17.303 -1.833 -2.822 1.00 0.00 H new ATOM 0 HG3 ARG A 5 17.093 -0.498 -3.938 1.00 0.00 H new ATOM 0 HD2 ARG A 5 16.748 1.068 -2.232 1.00 0.00 H new ATOM 0 HD3 ARG A 5 16.067 -0.113 -1.131 1.00 0.00 H new ATOM 0 HE ARG A 5 18.829 0.668 -1.254 1.00 0.00 H new ATOM 0 HH11 ARG A 5 16.836 -2.252 -0.966 1.00 0.00 H new ATOM 0 HH12 ARG A 5 18.069 -3.151 -0.076 1.00 0.00 H new ATOM 0 HH21 ARG A 5 20.424 -0.495 -0.103 1.00 0.00 H new ATOM 0 HH22 ARG A 5 20.106 -2.154 0.414 1.00 0.00 H new ATOM 103 N LYS A 6 17.214 -2.916 -5.078 1.00 0.00 N ATOM 104 CA LYS A 6 18.220 -3.953 -5.229 1.00 0.00 C ATOM 105 C LYS A 6 17.607 -5.151 -5.956 1.00 0.00 C ATOM 106 O LYS A 6 17.839 -6.297 -5.576 1.00 0.00 O ATOM 107 CB LYS A 6 18.835 -4.305 -3.874 1.00 0.00 C ATOM 108 CG LYS A 6 20.037 -3.409 -3.567 1.00 0.00 C ATOM 109 CD LYS A 6 21.183 -4.219 -2.957 1.00 0.00 C ATOM 110 CE LYS A 6 22.530 -3.793 -3.544 1.00 0.00 C ATOM 111 NZ LYS A 6 22.571 -4.069 -4.997 1.00 0.00 N ATOM 0 H LYS A 6 17.537 -1.973 -5.295 1.00 0.00 H new ATOM 0 HA LYS A 6 19.046 -3.595 -5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.085 -4.194 -3.091 1.00 0.00 H new ATOM 0 HB3 LYS A 6 19.146 -5.350 -3.872 1.00 0.00 H new ATOM 0 HG2 LYS A 6 20.377 -2.924 -4.482 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.739 -2.618 -2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.194 -4.082 -1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 6 21.021 -5.281 -3.142 1.00 0.00 H new ATOM 0 HE2 LYS A 6 22.692 -2.730 -3.365 1.00 0.00 H new ATOM 0 HE3 LYS A 6 23.337 -4.327 -3.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 23.555 -4.236 -5.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.999 -4.912 -5.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 22.188 -3.253 -5.516 1.00 0.00 H new ATOM 125 N GLY A 7 16.836 -4.844 -6.990 1.00 0.00 N ATOM 126 CA GLY A 7 16.188 -5.883 -7.773 1.00 0.00 C ATOM 127 C GLY A 7 15.424 -6.854 -6.870 1.00 0.00 C ATOM 128 O GLY A 7 15.355 -8.049 -7.156 1.00 0.00 O ATOM 0 H GLY A 7 16.646 -3.892 -7.303 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.502 -5.430 -8.488 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.935 -6.428 -8.350 1.00 0.00 H new ATOM 132 N ARG A 8 14.868 -6.304 -5.801 1.00 0.00 N ATOM 133 CA ARG A 8 14.111 -7.107 -4.855 1.00 0.00 C ATOM 134 C ARG A 8 12.745 -6.471 -4.592 1.00 0.00 C ATOM 135 O ARG A 8 12.558 -5.277 -4.821 1.00 0.00 O ATOM 136 CB ARG A 8 14.862 -7.252 -3.530 1.00 0.00 C ATOM 137 CG ARG A 8 16.233 -7.897 -3.743 1.00 0.00 C ATOM 138 CD ARG A 8 16.327 -9.239 -3.015 1.00 0.00 C ATOM 139 NE ARG A 8 17.669 -9.830 -3.212 1.00 0.00 N ATOM 140 CZ ARG A 8 18.094 -10.361 -4.366 1.00 0.00 C ATOM 141 NH1 ARG A 8 17.284 -10.378 -5.434 1.00 0.00 N ATOM 142 NH2 ARG A 8 19.329 -10.874 -4.453 1.00 0.00 N ATOM 0 H ARG A 8 14.926 -5.313 -5.569 1.00 0.00 H new ATOM 0 HA ARG A 8 13.977 -8.096 -5.293 1.00 0.00 H new ATOM 0 HB2 ARG A 8 14.985 -6.272 -3.069 1.00 0.00 H new ATOM 0 HB3 ARG A 8 14.275 -7.858 -2.840 1.00 0.00 H new ATOM 0 HG2 ARG A 8 16.408 -8.044 -4.809 1.00 0.00 H new ATOM 0 HG3 ARG A 8 17.014 -7.228 -3.382 1.00 0.00 H new ATOM 0 HD2 ARG A 8 16.135 -9.099 -1.951 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.563 -9.920 -3.390 1.00 0.00 H new ATOM 0 HE ARG A 8 18.311 -9.833 -2.419 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.344 -9.987 -5.368 1.00 0.00 H new ATOM 0 HH12 ARG A 8 17.607 -10.782 -6.313 1.00 0.00 H new ATOM 0 HH21 ARG A 8 19.945 -10.860 -3.640 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.653 -11.278 -5.332 1.00 0.00 H new ATOM 156 N ARG A 9 11.824 -7.296 -4.116 1.00 0.00 N ATOM 157 CA ARG A 9 10.481 -6.829 -3.820 1.00 0.00 C ATOM 158 C ARG A 9 10.330 -6.561 -2.321 1.00 0.00 C ATOM 159 O ARG A 9 10.722 -7.385 -1.497 1.00 0.00 O ATOM 160 CB ARG A 9 9.433 -7.855 -4.255 1.00 0.00 C ATOM 161 CG ARG A 9 8.048 -7.485 -3.719 1.00 0.00 C ATOM 162 CD ARG A 9 7.618 -6.104 -4.217 1.00 0.00 C ATOM 163 NE ARG A 9 6.242 -6.168 -4.759 1.00 0.00 N ATOM 164 CZ ARG A 9 5.942 -6.567 -6.003 1.00 0.00 C ATOM 165 NH1 ARG A 9 6.919 -6.940 -6.840 1.00 0.00 N ATOM 166 NH2 ARG A 9 4.666 -6.593 -6.409 1.00 0.00 N ATOM 0 H ARG A 9 11.982 -8.286 -3.928 1.00 0.00 H new ATOM 0 HA ARG A 9 10.322 -5.905 -4.376 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.403 -7.910 -5.343 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.715 -8.844 -3.893 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.320 -8.232 -4.035 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.062 -7.494 -2.629 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.663 -5.383 -3.400 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.306 -5.756 -4.988 1.00 0.00 H new ATOM 0 HE ARG A 9 5.474 -5.891 -4.148 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.891 -6.920 -6.531 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.691 -7.244 -7.787 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.922 -6.309 -5.772 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.438 -6.897 -7.356 1.00 0.00 H new ATOM 180 N ILE A 10 9.761 -5.405 -2.014 1.00 0.00 N ATOM 181 CA ILE A 10 9.555 -5.017 -0.629 1.00 0.00 C ATOM 182 C ILE A 10 8.167 -4.388 -0.481 1.00 0.00 C ATOM 183 O ILE A 10 7.583 -3.929 -1.462 1.00 0.00 O ATOM 184 CB ILE A 10 10.693 -4.114 -0.149 1.00 0.00 C ATOM 185 CG1 ILE A 10 11.984 -4.404 -0.919 1.00 0.00 C ATOM 186 CG2 ILE A 10 10.889 -4.235 1.364 1.00 0.00 C ATOM 187 CD1 ILE A 10 12.537 -5.785 -0.562 1.00 0.00 C ATOM 0 H ILE A 10 9.436 -4.724 -2.701 1.00 0.00 H new ATOM 0 HA ILE A 10 9.580 -5.893 0.019 1.00 0.00 H new ATOM 0 HB ILE A 10 10.419 -3.080 -0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.792 -4.351 -1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.727 -3.640 -0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.704 -3.583 1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.972 -3.942 1.874 1.00 0.00 H new ATOM 0 HG23 ILE A 10 11.131 -5.267 1.618 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.454 -5.966 -1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.751 -5.826 0.506 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.801 -6.548 -0.815 1.00 0.00 H new ATOM 199 N ARG A 11 7.681 -4.388 0.750 1.00 0.00 N ATOM 200 CA ARG A 11 6.373 -3.824 1.039 1.00 0.00 C ATOM 201 C ARG A 11 6.447 -2.918 2.269 1.00 0.00 C ATOM 202 O ARG A 11 7.306 -3.101 3.130 1.00 0.00 O ATOM 203 CB ARG A 11 5.340 -4.925 1.285 1.00 0.00 C ATOM 204 CG ARG A 11 3.928 -4.432 0.964 1.00 0.00 C ATOM 205 CD ARG A 11 2.874 -5.405 1.500 1.00 0.00 C ATOM 206 NE ARG A 11 3.164 -6.776 1.027 1.00 0.00 N ATOM 207 CZ ARG A 11 2.431 -7.852 1.346 1.00 0.00 C ATOM 208 NH1 ARG A 11 1.360 -7.721 2.140 1.00 0.00 N ATOM 209 NH2 ARG A 11 2.769 -9.058 0.871 1.00 0.00 N ATOM 0 H ARG A 11 8.169 -4.770 1.560 1.00 0.00 H new ATOM 0 HA ARG A 11 6.064 -3.241 0.172 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.575 -5.793 0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.389 -5.249 2.325 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.775 -3.446 1.402 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.813 -4.323 -0.114 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.866 -5.381 2.590 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.882 -5.099 1.167 1.00 0.00 H new ATOM 0 HE ARG A 11 3.972 -6.911 0.420 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.102 -6.803 2.502 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.802 -8.540 2.383 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.584 -9.158 0.266 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.211 -9.877 1.114 1.00 0.00 H new ATOM 223 N ILE A 12 5.533 -1.960 2.314 1.00 0.00 N ATOM 224 CA ILE A 12 5.482 -1.024 3.425 1.00 0.00 C ATOM 225 C ILE A 12 4.091 -0.391 3.490 1.00 0.00 C ATOM 226 O ILE A 12 3.827 0.726 3.043 1.00 0.00 O ATOM 227 CB ILE A 12 6.618 -0.005 3.319 1.00 0.00 C ATOM 228 CG1 ILE A 12 6.959 0.581 4.691 1.00 0.00 C ATOM 229 CG2 ILE A 12 6.284 1.084 2.298 1.00 0.00 C ATOM 230 CD1 ILE A 12 7.884 -0.354 5.472 1.00 0.00 C ATOM 0 H ILE A 12 4.821 -1.811 1.599 1.00 0.00 H new ATOM 0 HA ILE A 12 5.639 -1.545 4.370 1.00 0.00 H new ATOM 0 HB ILE A 12 7.508 -0.522 2.959 1.00 0.00 H new ATOM 0 HG12 ILE A 12 7.438 1.552 4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.043 0.748 5.257 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.108 1.795 2.242 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.130 0.630 1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.376 1.604 2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.111 0.086 6.443 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.392 -1.316 5.616 1.00 0.00 H new ATOM 0 HD13 ILE A 12 8.809 -0.499 4.915 1.00 0.00 H new ATOM 242 N PRO A 13 3.138 -1.155 4.088 1.00 0.00 N ATOM 243 CA PRO A 13 1.772 -0.636 4.391 1.00 0.00 C ATOM 244 C PRO A 13 0.885 -0.308 3.136 1.00 0.00 C ATOM 245 O PRO A 13 0.499 -1.186 2.362 1.00 0.00 O ATOM 246 CB PRO A 13 1.241 -1.766 5.300 1.00 0.00 C ATOM 247 CG PRO A 13 1.896 -3.044 4.766 1.00 0.00 C ATOM 248 CD PRO A 13 3.300 -2.601 4.359 1.00 0.00 C ATOM 0 HA PRO A 13 1.764 0.349 4.858 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.507 -1.592 6.343 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.154 -1.831 5.255 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.929 -3.823 5.528 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.345 -3.450 3.918 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.025 -2.782 5.153 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.651 -3.138 3.478 1.00 0.00 H new ATOM 256 N PRO A 14 0.542 0.984 2.964 1.00 0.00 N ATOM 257 CA PRO A 14 -0.442 1.407 1.932 1.00 0.00 C ATOM 258 C PRO A 14 -0.084 1.132 0.432 1.00 0.00 C ATOM 259 O PRO A 14 -0.713 1.662 -0.478 1.00 0.00 O ATOM 260 CB PRO A 14 -0.618 2.898 2.295 1.00 0.00 C ATOM 261 CG PRO A 14 0.687 3.321 2.982 1.00 0.00 C ATOM 262 CD PRO A 14 1.135 2.078 3.752 1.00 0.00 C ATOM 0 HA PRO A 14 -1.355 0.813 1.966 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.802 3.498 1.404 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.472 3.041 2.957 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.437 3.628 2.254 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.527 4.166 3.651 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.221 2.000 3.801 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.769 2.083 4.779 1.00 0.00 H new