USER MOD reduce.3.24.130724 H: found=0, std=0, add=144, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 144 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: 1 1 ARG H1 : 1 1 ARG N : 1 14 PRO C :(NH2R) USER MOD NoAdj-H: 1 1 ARG H2 : 1 1 ARG N : 1 14 PRO C :(NH2R) USER MOD Single : 1 1 ARG N :NH3+ 180:sc= -1.77! (180deg=-1.77!) USER MOD Single : 1 4 THR OG1 : rot 142:sc= -2.82! USER MOD Single : 1 7 LYS NZ :NH3+ 151:sc= -0.195 (180deg=-0.873) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG 1 1 3.789 -3.626 5.738 1.00 0.00 N ATOM 2 CA ARG 1 1 4.515 -3.054 4.567 1.00 0.00 C ATOM 3 C ARG 1 1 4.237 -1.553 4.475 1.00 0.00 C ATOM 4 O ARG 1 1 3.213 -1.073 4.921 1.00 0.00 O ATOM 5 CB ARG 1 1 4.030 -3.726 3.279 1.00 0.00 C ATOM 6 CG ARG 1 1 4.795 -5.031 3.058 1.00 0.00 C ATOM 7 CD ARG 1 1 4.813 -5.367 1.566 1.00 0.00 C ATOM 8 NE ARG 1 1 3.571 -4.849 0.925 1.00 0.00 N ATOM 9 CZ ARG 1 1 2.404 -5.272 1.328 1.00 0.00 C ATOM 10 NH1 ARG 1 1 2.328 -6.177 2.264 1.00 0.00 N ATOM 11 NH2 ARG 1 1 1.315 -4.785 0.800 1.00 0.00 N ATOM 0 H3 ARG 1 1 3.979 -4.647 5.799 1.00 0.00 H new ATOM 0 HA ARG 1 1 5.584 -3.227 4.693 1.00 0.00 H new ATOM 0 HB2 ARG 1 1 2.961 -3.927 3.343 1.00 0.00 H new ATOM 0 HB3 ARG 1 1 4.179 -3.058 2.431 1.00 0.00 H new ATOM 0 HG2 ARG 1 1 5.814 -4.935 3.432 1.00 0.00 H new ATOM 0 HG3 ARG 1 1 4.325 -5.840 3.618 1.00 0.00 H new ATOM 0 HD2 ARG 1 1 5.690 -4.925 1.093 1.00 0.00 H new ATOM 0 HD3 ARG 1 1 4.885 -6.446 1.426 1.00 0.00 H new ATOM 0 HE ARG 1 1 3.633 -4.164 0.172 1.00 0.00 H new ATOM 0 HH11 ARG 1 1 3.180 -6.553 2.680 1.00 0.00 H new ATOM 0 HH12 ARG 1 1 1.417 -6.509 2.580 1.00 0.00 H new ATOM 0 HH21 ARG 1 1 1.375 -4.073 0.072 1.00 0.00 H new ATOM 0 HH22 ARG 1 1 0.403 -5.116 1.115 1.00 0.00 H new ATOM 25 N VAL 1 2 5.133 -0.811 3.887 1.00 0.00 N ATOM 26 CA VAL 1 2 4.911 0.652 3.741 1.00 0.00 C ATOM 27 C VAL 1 2 5.357 1.081 2.342 1.00 0.00 C ATOM 28 O VAL 1 2 6.505 1.412 2.122 1.00 0.00 O ATOM 29 CB VAL 1 2 5.731 1.404 4.790 1.00 0.00 C ATOM 30 CG1 VAL 1 2 5.378 0.883 6.184 1.00 0.00 C ATOM 31 CG2 VAL 1 2 7.223 1.187 4.529 1.00 0.00 C ATOM 0 H VAL 1 2 6.011 -1.157 3.501 1.00 0.00 H new ATOM 0 HA VAL 1 2 3.855 0.881 3.882 1.00 0.00 H new ATOM 0 HB VAL 1 2 5.504 2.468 4.730 1.00 0.00 H new ATOM 0 HG11 VAL 1 2 5.963 1.419 6.932 1.00 0.00 H new ATOM 0 HG12 VAL 1 2 4.316 1.040 6.373 1.00 0.00 H new ATOM 0 HG13 VAL 1 2 5.603 -0.182 6.242 1.00 0.00 H new ATOM 0 HG21 VAL 1 2 7.805 1.724 5.278 1.00 0.00 H new ATOM 0 HG22 VAL 1 2 7.451 0.123 4.586 1.00 0.00 H new ATOM 0 HG23 VAL 1 2 7.477 1.560 3.537 1.00 0.00 H new ATOM 41 N ARG 1 3 4.464 1.077 1.392 1.00 0.00 N ATOM 42 CA ARG 1 3 4.855 1.465 0.009 1.00 0.00 C ATOM 43 C ARG 1 3 5.491 2.855 0.034 1.00 0.00 C ATOM 44 O ARG 1 3 4.848 3.846 -0.253 1.00 0.00 O ATOM 45 CB ARG 1 3 3.615 1.486 -0.891 1.00 0.00 C ATOM 46 CG ARG 1 3 3.423 0.113 -1.540 1.00 0.00 C ATOM 47 CD ARG 1 3 2.049 0.053 -2.210 1.00 0.00 C ATOM 48 NE ARG 1 3 0.999 0.417 -1.217 1.00 0.00 N ATOM 49 CZ ARG 1 3 -0.062 1.071 -1.601 1.00 0.00 C ATOM 50 NH1 ARG 1 3 -0.201 1.409 -2.854 1.00 0.00 N ATOM 51 NH2 ARG 1 3 -0.980 1.396 -0.731 1.00 0.00 N ATOM 0 H ARG 1 3 3.484 0.823 1.513 1.00 0.00 H new ATOM 0 HA ARG 1 3 5.571 0.742 -0.382 1.00 0.00 H new ATOM 0 HB2 ARG 1 3 2.734 1.748 -0.306 1.00 0.00 H new ATOM 0 HB3 ARG 1 3 3.726 2.250 -1.660 1.00 0.00 H new ATOM 0 HG2 ARG 1 3 4.207 -0.066 -2.276 1.00 0.00 H new ATOM 0 HG3 ARG 1 3 3.507 -0.672 -0.788 1.00 0.00 H new ATOM 0 HD2 ARG 1 3 2.016 0.736 -3.058 1.00 0.00 H new ATOM 0 HD3 ARG 1 3 1.865 -0.948 -2.600 1.00 0.00 H new ATOM 0 HE ARG 1 3 1.110 0.155 -0.238 1.00 0.00 H new ATOM 0 HH11 ARG 1 3 0.520 1.162 -3.532 1.00 0.00 H new ATOM 0 HH12 ARG 1 3 -1.030 1.920 -3.155 1.00 0.00 H new ATOM 0 HH21 ARG 1 3 -0.867 1.138 0.249 1.00 0.00 H new ATOM 0 HH22 ARG 1 3 -1.810 1.908 -1.032 1.00 0.00 H new ATOM 65 N THR 1 4 6.747 2.938 0.375 1.00 0.00 N ATOM 66 CA THR 1 4 7.419 4.267 0.419 1.00 0.00 C ATOM 67 C THR 1 4 7.387 4.898 -0.973 1.00 0.00 C ATOM 68 O THR 1 4 8.346 4.834 -1.717 1.00 0.00 O ATOM 69 CB THR 1 4 8.873 4.094 0.865 1.00 0.00 C ATOM 70 OG1 THR 1 4 8.909 3.393 2.099 1.00 0.00 O ATOM 71 CG2 THR 1 4 9.521 5.469 1.036 1.00 0.00 C ATOM 0 H THR 1 4 7.337 2.144 0.625 1.00 0.00 H new ATOM 0 HA THR 1 4 6.898 4.913 1.126 1.00 0.00 H new ATOM 0 HB THR 1 4 9.420 3.528 0.111 1.00 0.00 H new ATOM 0 HG1 THR 1 4 9.671 2.776 2.103 1.00 0.00 H new ATOM 0 HG21 THR 1 4 10.556 5.346 1.354 1.00 0.00 H new ATOM 0 HG22 THR 1 4 9.494 6.005 0.087 1.00 0.00 H new ATOM 0 HG23 THR 1 4 8.975 6.037 1.789 1.00 0.00 H new ATOM 79 N ARG 1 5 6.291 5.507 -1.337 1.00 0.00 N ATOM 80 CA ARG 1 5 6.208 6.140 -2.682 1.00 0.00 C ATOM 81 C ARG 1 5 7.539 6.812 -3.016 1.00 0.00 C ATOM 82 O ARG 1 5 8.440 6.198 -3.556 1.00 0.00 O ATOM 83 CB ARG 1 5 5.095 7.188 -2.694 1.00 0.00 C ATOM 84 CG ARG 1 5 3.840 6.584 -3.329 1.00 0.00 C ATOM 85 CD ARG 1 5 3.918 6.732 -4.848 1.00 0.00 C ATOM 86 NE ARG 1 5 2.571 6.497 -5.439 1.00 0.00 N ATOM 87 CZ ARG 1 5 1.729 7.487 -5.558 1.00 0.00 C ATOM 88 NH1 ARG 1 5 2.062 8.681 -5.152 1.00 0.00 N ATOM 89 NH2 ARG 1 5 0.551 7.281 -6.082 1.00 0.00 N ATOM 0 H ARG 1 5 5.453 5.593 -0.762 1.00 0.00 H new ATOM 0 HA ARG 1 5 5.990 5.372 -3.424 1.00 0.00 H new ATOM 0 HB2 ARG 1 5 4.880 7.518 -1.678 1.00 0.00 H new ATOM 0 HB3 ARG 1 5 5.413 8.067 -3.254 1.00 0.00 H new ATOM 0 HG2 ARG 1 5 3.753 5.532 -3.059 1.00 0.00 H new ATOM 0 HG3 ARG 1 5 2.950 7.085 -2.949 1.00 0.00 H new ATOM 0 HD2 ARG 1 5 4.273 7.729 -5.109 1.00 0.00 H new ATOM 0 HD3 ARG 1 5 4.636 6.021 -5.257 1.00 0.00 H new ATOM 0 HE ARG 1 5 2.307 5.562 -5.751 1.00 0.00 H new ATOM 0 HH11 ARG 1 5 2.982 8.842 -4.741 1.00 0.00 H new ATOM 0 HH12 ARG 1 5 1.403 9.454 -5.246 1.00 0.00 H new ATOM 0 HH21 ARG 1 5 0.290 6.347 -6.398 1.00 0.00 H new ATOM 0 HH22 ARG 1 5 -0.108 8.054 -6.175 1.00 0.00 H new ATOM 103 N GLY 1 6 7.673 8.071 -2.700 1.00 0.00 N ATOM 104 CA GLY 1 6 8.950 8.784 -2.990 1.00 0.00 C ATOM 105 C GLY 1 6 9.135 9.925 -1.991 1.00 0.00 C ATOM 106 O GLY 1 6 10.077 9.942 -1.223 1.00 0.00 O ATOM 0 H GLY 1 6 6.952 8.638 -2.253 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 9.789 8.091 -2.926 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 8.937 9.176 -4.007 1.00 0.00 H new ATOM 110 N LYS 1 7 8.247 10.882 -1.990 1.00 0.00 N ATOM 111 CA LYS 1 7 8.369 12.002 -1.019 1.00 0.00 C ATOM 112 C LYS 1 7 7.402 11.770 0.144 1.00 0.00 C ATOM 113 O LYS 1 7 7.214 12.623 0.988 1.00 0.00 O ATOM 114 CB LYS 1 7 8.029 13.328 -1.710 1.00 0.00 C ATOM 115 CG LYS 1 7 8.981 13.557 -2.888 1.00 0.00 C ATOM 116 CD LYS 1 7 8.321 14.496 -3.902 1.00 0.00 C ATOM 117 CE LYS 1 7 7.918 15.799 -3.207 1.00 0.00 C ATOM 118 NZ LYS 1 7 9.076 16.328 -2.432 1.00 0.00 N ATOM 0 H LYS 1 7 7.445 10.935 -2.618 1.00 0.00 H new ATOM 0 HA LYS 1 7 9.391 12.046 -0.644 1.00 0.00 H new ATOM 0 HB2 LYS 1 7 6.997 13.311 -2.062 1.00 0.00 H new ATOM 0 HB3 LYS 1 7 8.110 14.151 -0.999 1.00 0.00 H new ATOM 0 HG2 LYS 1 7 9.918 13.987 -2.534 1.00 0.00 H new ATOM 0 HG3 LYS 1 7 9.226 12.606 -3.362 1.00 0.00 H new ATOM 0 HD2 LYS 1 7 9.010 14.706 -4.720 1.00 0.00 H new ATOM 0 HD3 LYS 1 7 7.444 14.018 -4.338 1.00 0.00 H new ATOM 0 HE2 LYS 1 7 7.595 16.533 -3.946 1.00 0.00 H new ATOM 0 HE3 LYS 1 7 7.072 15.623 -2.542 1.00 0.00 H new ATOM 0 HZ1 LYS 1 7 9.012 17.365 -2.377 1.00 0.00 H new ATOM 0 HZ2 LYS 1 7 9.063 15.929 -1.472 1.00 0.00 H new ATOM 0 HZ3 LYS 1 7 9.962 16.060 -2.906 1.00 0.00 H new ATOM 132 N ARG 1 8 6.784 10.607 0.178 1.00 0.00 N ATOM 133 CA ARG 1 8 5.820 10.302 1.272 1.00 0.00 C ATOM 134 C ARG 1 8 6.061 8.884 1.799 1.00 0.00 C ATOM 135 O ARG 1 8 7.111 8.305 1.596 1.00 0.00 O ATOM 136 CB ARG 1 8 4.393 10.416 0.731 1.00 0.00 C ATOM 137 CG ARG 1 8 3.992 11.889 0.678 1.00 0.00 C ATOM 138 CD ARG 1 8 3.478 12.328 2.049 1.00 0.00 C ATOM 139 NE ARG 1 8 2.845 13.669 1.935 1.00 0.00 N ATOM 140 CZ ARG 1 8 3.583 14.713 1.679 1.00 0.00 C ATOM 141 NH1 ARG 1 8 4.876 14.582 1.551 1.00 0.00 N ATOM 142 NH2 ARG 1 8 3.032 15.889 1.560 1.00 0.00 N ATOM 0 H ARG 1 8 6.911 9.862 -0.507 1.00 0.00 H new ATOM 0 HA ARG 1 8 5.960 11.011 2.088 1.00 0.00 H new ATOM 0 HB2 ARG 1 8 4.332 9.974 -0.264 1.00 0.00 H new ATOM 0 HB3 ARG 1 8 3.704 9.862 1.369 1.00 0.00 H new ATOM 0 HG2 ARG 1 8 4.847 12.499 0.386 1.00 0.00 H new ATOM 0 HG3 ARG 1 8 3.220 12.040 -0.077 1.00 0.00 H new ATOM 0 HD2 ARG 1 8 2.756 11.604 2.427 1.00 0.00 H new ATOM 0 HD3 ARG 1 8 4.300 12.362 2.764 1.00 0.00 H new ATOM 0 HE ARG 1 8 1.837 13.772 2.057 1.00 0.00 H new ATOM 0 HH11 ARG 1 8 5.308 13.663 1.651 1.00 0.00 H new ATOM 0 HH12 ARG 1 8 5.454 15.398 1.351 1.00 0.00 H new ATOM 0 HH21 ARG 1 8 2.023 15.993 1.667 1.00 0.00 H new ATOM 0 HH22 ARG 1 8 3.610 16.705 1.360 1.00 0.00 H new ATOM 156 N ARG 1 9 5.096 8.321 2.478 1.00 0.00 N ATOM 157 CA ARG 1 9 5.268 6.941 3.009 1.00 0.00 C ATOM 158 C ARG 1 9 3.913 6.374 3.428 1.00 0.00 C ATOM 159 O ARG 1 9 3.301 6.832 4.374 1.00 0.00 O ATOM 160 CB ARG 1 9 6.193 6.974 4.226 1.00 0.00 C ATOM 161 CG ARG 1 9 6.466 5.541 4.693 1.00 0.00 C ATOM 162 CD ARG 1 9 7.726 5.506 5.556 1.00 0.00 C ATOM 163 NE ARG 1 9 8.930 5.530 4.678 1.00 0.00 N ATOM 164 CZ ARG 1 9 9.606 4.433 4.465 1.00 0.00 C ATOM 165 NH1 ARG 1 9 9.233 3.316 5.027 1.00 0.00 N ATOM 166 NH2 ARG 1 9 10.655 4.456 3.689 1.00 0.00 N ATOM 0 H ARG 1 9 4.198 8.758 2.686 1.00 0.00 H new ATOM 0 HA ARG 1 9 5.701 6.312 2.232 1.00 0.00 H new ATOM 0 HB2 ARG 1 9 7.129 7.471 3.972 1.00 0.00 H new ATOM 0 HB3 ARG 1 9 5.735 7.550 5.030 1.00 0.00 H new ATOM 0 HG2 ARG 1 9 5.615 5.166 5.262 1.00 0.00 H new ATOM 0 HG3 ARG 1 9 6.587 4.885 3.831 1.00 0.00 H new ATOM 0 HD2 ARG 1 9 7.740 6.360 6.233 1.00 0.00 H new ATOM 0 HD3 ARG 1 9 7.731 4.608 6.174 1.00 0.00 H new ATOM 0 HE ARG 1 9 9.226 6.404 4.243 1.00 0.00 H new ATOM 0 HH11 ARG 1 9 8.413 3.299 5.633 1.00 0.00 H new ATOM 0 HH12 ARG 1 9 9.762 2.460 4.860 1.00 0.00 H new ATOM 0 HH21 ARG 1 9 10.946 5.330 3.250 1.00 0.00 H new ATOM 0 HH22 ARG 1 9 11.184 3.600 3.521 1.00 0.00 H new ATOM 180 N ILE 1 10 3.437 5.376 2.736 1.00 0.00 N ATOM 181 CA ILE 1 10 2.109 4.798 3.086 1.00 0.00 C ATOM 182 C ILE 1 10 2.308 3.599 4.020 1.00 0.00 C ATOM 183 O ILE 1 10 3.400 3.082 4.157 1.00 0.00 O ATOM 184 CB ILE 1 10 1.392 4.357 1.808 1.00 0.00 C ATOM 185 CG1 ILE 1 10 1.620 5.406 0.717 1.00 0.00 C ATOM 186 CG2 ILE 1 10 -0.107 4.238 2.083 1.00 0.00 C ATOM 187 CD1 ILE 1 10 1.329 6.802 1.280 1.00 0.00 C ATOM 0 H ILE 1 10 3.909 4.937 1.945 1.00 0.00 H new ATOM 0 HA ILE 1 10 1.502 5.548 3.592 1.00 0.00 H new ATOM 0 HB ILE 1 10 1.783 3.393 1.483 1.00 0.00 H new ATOM 0 HG12 ILE 1 10 2.648 5.354 0.357 1.00 0.00 H new ATOM 0 HG13 ILE 1 10 0.973 5.205 -0.137 1.00 0.00 H new ATOM 0 HG21 ILE 1 10 -0.620 3.924 1.174 1.00 0.00 H new ATOM 0 HG22 ILE 1 10 -0.276 3.501 2.868 1.00 0.00 H new ATOM 0 HG23 ILE 1 10 -0.496 5.204 2.404 1.00 0.00 H new ATOM 0 HD11 ILE 1 10 1.491 7.549 0.503 1.00 0.00 H new ATOM 0 HD12 ILE 1 10 0.294 6.849 1.618 1.00 0.00 H new ATOM 0 HD13 ILE 1 10 1.995 7.002 2.120 1.00 0.00 H new ATOM 199 N ARG 1 11 1.266 3.161 4.673 1.00 0.00 N ATOM 200 CA ARG 1 11 1.404 2.002 5.601 1.00 0.00 C ATOM 201 C ARG 1 11 0.479 0.858 5.155 1.00 0.00 C ATOM 202 O ARG 1 11 -0.721 1.023 5.042 1.00 0.00 O ATOM 203 CB ARG 1 11 1.014 2.443 7.015 1.00 0.00 C ATOM 204 CG ARG 1 11 1.311 1.318 8.014 1.00 0.00 C ATOM 205 CD ARG 1 11 2.702 1.520 8.622 1.00 0.00 C ATOM 206 NE ARG 1 11 2.837 2.922 9.108 1.00 0.00 N ATOM 207 CZ ARG 1 11 2.127 3.334 10.124 1.00 0.00 C ATOM 208 NH1 ARG 1 11 1.302 2.518 10.718 1.00 0.00 N ATOM 209 NH2 ARG 1 11 2.239 4.566 10.543 1.00 0.00 N ATOM 0 H ARG 1 11 0.327 3.554 4.605 1.00 0.00 H new ATOM 0 HA ARG 1 11 2.436 1.653 5.589 1.00 0.00 H new ATOM 0 HB2 ARG 1 11 1.567 3.341 7.291 1.00 0.00 H new ATOM 0 HB3 ARG 1 11 -0.045 2.699 7.046 1.00 0.00 H new ATOM 0 HG2 ARG 1 11 0.557 1.310 8.801 1.00 0.00 H new ATOM 0 HG3 ARG 1 11 1.260 0.351 7.513 1.00 0.00 H new ATOM 0 HD2 ARG 1 11 2.854 0.823 9.446 1.00 0.00 H new ATOM 0 HD3 ARG 1 11 3.469 1.307 7.878 1.00 0.00 H new ATOM 0 HE ARG 1 11 3.485 3.561 8.647 1.00 0.00 H new ATOM 0 HH11 ARG 1 11 1.210 1.557 10.389 1.00 0.00 H new ATOM 0 HH12 ARG 1 11 0.748 2.841 11.511 1.00 0.00 H new ATOM 0 HH21 ARG 1 11 2.881 5.207 10.077 1.00 0.00 H new ATOM 0 HH22 ARG 1 11 1.684 4.887 11.336 1.00 0.00 H new ATOM 223 N VAL 1 12 1.031 -0.301 4.915 1.00 0.00 N ATOM 224 CA VAL 1 12 0.199 -1.465 4.486 1.00 0.00 C ATOM 225 C VAL 1 12 0.472 -2.622 5.455 1.00 0.00 C ATOM 226 O VAL 1 12 1.319 -3.460 5.212 1.00 0.00 O ATOM 227 CB VAL 1 12 0.580 -1.862 3.050 1.00 0.00 C ATOM 228 CG1 VAL 1 12 -0.281 -3.039 2.583 1.00 0.00 C ATOM 229 CG2 VAL 1 12 0.344 -0.672 2.116 1.00 0.00 C ATOM 0 H VAL 1 12 2.029 -0.494 4.998 1.00 0.00 H new ATOM 0 HA VAL 1 12 -0.861 -1.213 4.502 1.00 0.00 H new ATOM 0 HB VAL 1 12 1.630 -2.153 3.030 1.00 0.00 H new ATOM 0 HG11 VAL 1 12 -0.003 -3.312 1.565 1.00 0.00 H new ATOM 0 HG12 VAL 1 12 -0.121 -3.891 3.244 1.00 0.00 H new ATOM 0 HG13 VAL 1 12 -1.332 -2.753 2.608 1.00 0.00 H new ATOM 0 HG21 VAL 1 12 0.613 -0.950 1.097 1.00 0.00 H new ATOM 0 HG22 VAL 1 12 -0.708 -0.387 2.149 1.00 0.00 H new ATOM 0 HG23 VAL 1 12 0.958 0.170 2.437 1.00 0.00 H new ATOM 239 N PRO 1 13 -0.220 -2.637 6.567 1.00 0.00 N ATOM 240 CA PRO 1 13 -0.020 -3.667 7.619 1.00 0.00 C ATOM 241 C PRO 1 13 1.459 -3.813 7.941 1.00 0.00 C ATOM 242 O PRO 1 13 2.047 -2.989 8.620 1.00 0.00 O ATOM 243 CB PRO 1 13 -0.788 -3.147 8.838 1.00 0.00 C ATOM 244 CG PRO 1 13 -1.794 -2.176 8.309 1.00 0.00 C ATOM 245 CD PRO 1 13 -1.279 -1.680 6.956 1.00 0.00 C ATOM 0 HA PRO 1 13 -0.373 -4.649 7.305 1.00 0.00 H new ATOM 0 HB2 PRO 1 13 -1.276 -3.964 9.369 1.00 0.00 H new ATOM 0 HB3 PRO 1 13 -0.115 -2.664 9.546 1.00 0.00 H new ATOM 0 HG2 PRO 1 13 -2.768 -2.653 8.198 1.00 0.00 H new ATOM 0 HG3 PRO 1 13 -1.924 -1.343 9.000 1.00 0.00 H new ATOM 0 HD2 PRO 1 13 -2.079 -1.656 6.216 1.00 0.00 H new ATOM 0 HD3 PRO 1 13 -0.885 -0.667 7.033 1.00 0.00 H new ATOM 253 N PRO 1 14 2.055 -4.845 7.428 1.00 0.00 N ATOM 254 CA PRO 1 14 3.493 -5.126 7.618 1.00 0.00 C ATOM 255 C PRO 1 14 4.316 -4.601 6.436 1.00 0.00 C ATOM 256 O PRO 1 14 5.403 -5.068 6.158 1.00 0.00 O ATOM 257 CB PRO 1 14 3.528 -6.652 7.684 1.00 0.00 C ATOM 258 CG PRO 1 14 2.434 -7.118 6.769 1.00 0.00 C ATOM 259 CD PRO 1 14 1.459 -5.951 6.591 1.00 0.00 C ATOM 0 HA PRO 1 14 3.919 -4.646 8.499 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 4.497 -7.036 7.365 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 3.365 -7.005 8.702 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 2.843 -7.426 5.807 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 1.924 -7.984 7.191 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 1.374 -5.658 5.545 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 0.457 -6.213 6.931 1.00 0.00 H new