USER MOD reduce.3.24.130724 H: found=0, std=0, add=146, rem=0, adj=1 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 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.386 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.089 0.687 -0.038 1.00 0.00 N ATOM 2 CA ARG A 1 2.275 -0.007 -1.301 1.00 0.00 C ATOM 3 C ARG A 1 3.516 -0.899 -1.238 1.00 0.00 C ATOM 4 O ARG A 1 4.304 -0.808 -0.298 1.00 0.00 O ATOM 5 CB ARG A 1 2.426 0.984 -2.457 1.00 0.00 C ATOM 6 CG ARG A 1 1.620 0.531 -3.677 1.00 0.00 C ATOM 7 CD ARG A 1 2.544 0.120 -4.824 1.00 0.00 C ATOM 8 NE ARG A 1 2.377 1.046 -5.965 1.00 0.00 N ATOM 9 CZ ARG A 1 3.041 0.938 -7.124 1.00 0.00 C ATOM 10 NH1 ARG A 1 3.920 -0.057 -7.301 1.00 0.00 N ATOM 11 NH2 ARG A 1 2.826 1.825 -8.105 1.00 0.00 N ATOM 0 H3 ARG A 1 1.243 1.289 -0.094 1.00 0.00 H new ATOM 0 HA ARG A 1 1.391 -0.620 -1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 1 2.089 1.971 -2.141 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.478 1.077 -2.726 1.00 0.00 H new ATOM 0 HG2 ARG A 1 0.980 -0.308 -3.403 1.00 0.00 H new ATOM 0 HG3 ARG A 1 0.965 1.338 -4.005 1.00 0.00 H new ATOM 0 HD2 ARG A 1 3.581 0.128 -4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 1 2.318 -0.900 -5.136 1.00 0.00 H new ATOM 0 HE ARG A 1 1.715 1.815 -5.863 1.00 0.00 H new ATOM 0 HH11 ARG A 1 4.084 -0.732 -6.554 1.00 0.00 H new ATOM 0 HH12 ARG A 1 4.426 -0.140 -8.183 1.00 0.00 H new ATOM 0 HH21 ARG A 1 2.157 2.583 -7.970 1.00 0.00 H new ATOM 0 HH22 ARG A 1 3.332 1.742 -8.987 1.00 0.00 H new ATOM 25 N VAL A 2 3.652 -1.743 -2.252 1.00 0.00 N ATOM 26 CA VAL A 2 4.784 -2.651 -2.323 1.00 0.00 C ATOM 27 C VAL A 2 5.731 -2.192 -3.433 1.00 0.00 C ATOM 28 O VAL A 2 5.561 -2.565 -4.593 1.00 0.00 O ATOM 29 CB VAL A 2 4.291 -4.087 -2.514 1.00 0.00 C ATOM 30 CG1 VAL A 2 3.744 -4.296 -3.928 1.00 0.00 C ATOM 31 CG2 VAL A 2 5.400 -5.094 -2.200 1.00 0.00 C ATOM 0 H VAL A 2 2.997 -1.816 -3.030 1.00 0.00 H new ATOM 0 HA VAL A 2 5.346 -2.635 -1.389 1.00 0.00 H new ATOM 0 HB VAL A 2 3.475 -4.257 -1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.400 -5.325 -4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.911 -3.615 -4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.531 -4.097 -4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.023 -6.107 -2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.246 -4.924 -2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.722 -4.970 -1.166 1.00 0.00 H new ATOM 41 N ARG A 3 6.708 -1.389 -3.039 1.00 0.00 N ATOM 42 CA ARG A 3 7.683 -0.874 -3.985 1.00 0.00 C ATOM 43 C ARG A 3 8.751 -1.931 -4.274 1.00 0.00 C ATOM 44 O ARG A 3 8.610 -3.087 -3.877 1.00 0.00 O ATOM 45 CB ARG A 3 8.358 0.390 -3.450 1.00 0.00 C ATOM 46 CG ARG A 3 9.188 0.081 -2.203 1.00 0.00 C ATOM 47 CD ARG A 3 9.723 1.367 -1.568 1.00 0.00 C ATOM 48 NE ARG A 3 8.608 2.142 -0.977 1.00 0.00 N ATOM 49 CZ ARG A 3 8.734 3.381 -0.485 1.00 0.00 C ATOM 50 NH1 ARG A 3 9.925 3.996 -0.511 1.00 0.00 N ATOM 51 NH2 ARG A 3 7.667 4.008 0.031 1.00 0.00 N ATOM 0 H ARG A 3 6.845 -1.082 -2.076 1.00 0.00 H new ATOM 0 HA ARG A 3 7.153 -0.626 -4.905 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.999 0.819 -4.221 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.602 1.138 -3.212 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.577 -0.459 -1.480 1.00 0.00 H new ATOM 0 HG3 ARG A 3 10.020 -0.571 -2.468 1.00 0.00 H new ATOM 0 HD2 ARG A 3 10.456 1.125 -0.799 1.00 0.00 H new ATOM 0 HD3 ARG A 3 10.236 1.967 -2.319 1.00 0.00 H new ATOM 0 HE ARG A 3 7.687 1.705 -0.943 1.00 0.00 H new ATOM 0 HH11 ARG A 3 10.736 3.520 -0.906 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.020 4.940 -0.136 1.00 0.00 H new ATOM 0 HH21 ARG A 3 6.760 3.541 0.049 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.762 4.952 0.406 1.00 0.00 H new ATOM 65 N THR A 4 9.796 -1.497 -4.964 1.00 0.00 N ATOM 66 CA THR A 4 10.887 -2.391 -5.310 1.00 0.00 C ATOM 67 C THR A 4 12.230 -1.666 -5.187 1.00 0.00 C ATOM 68 O THR A 4 12.363 -0.522 -5.617 1.00 0.00 O ATOM 69 CB THR A 4 10.621 -2.941 -6.712 1.00 0.00 C ATOM 70 OG1 THR A 4 9.200 -3.018 -6.791 1.00 0.00 O ATOM 71 CG2 THR A 4 11.081 -4.393 -6.869 1.00 0.00 C ATOM 0 H THR A 4 9.910 -0.538 -5.292 1.00 0.00 H new ATOM 0 HA THR A 4 10.942 -3.233 -4.620 1.00 0.00 H new ATOM 0 HB THR A 4 11.128 -2.317 -7.448 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.940 -3.364 -7.670 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.869 -4.734 -7.882 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.153 -4.457 -6.681 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.549 -5.022 -6.155 1.00 0.00 H new ATOM 79 N ARG A 5 13.190 -2.364 -4.598 1.00 0.00 N ATOM 80 CA ARG A 5 14.517 -1.802 -4.412 1.00 0.00 C ATOM 81 C ARG A 5 15.565 -2.916 -4.371 1.00 0.00 C ATOM 82 O ARG A 5 15.229 -4.082 -4.170 1.00 0.00 O ATOM 83 CB ARG A 5 14.596 -0.989 -3.118 1.00 0.00 C ATOM 84 CG ARG A 5 14.116 0.447 -3.343 1.00 0.00 C ATOM 85 CD ARG A 5 14.120 1.236 -2.033 1.00 0.00 C ATOM 86 NE ARG A 5 15.394 1.977 -1.891 1.00 0.00 N ATOM 87 CZ ARG A 5 15.782 2.597 -0.768 1.00 0.00 C ATOM 88 NH1 ARG A 5 14.997 2.569 0.317 1.00 0.00 N ATOM 89 NH2 ARG A 5 16.954 3.243 -0.732 1.00 0.00 N ATOM 0 H ARG A 5 13.075 -3.313 -4.243 1.00 0.00 H new ATOM 0 HA ARG A 5 14.717 -1.141 -5.255 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.987 -1.463 -2.348 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.623 -0.980 -2.752 1.00 0.00 H new ATOM 0 HG2 ARG A 5 14.760 0.940 -4.071 1.00 0.00 H new ATOM 0 HG3 ARG A 5 13.110 0.437 -3.763 1.00 0.00 H new ATOM 0 HD2 ARG A 5 13.281 1.932 -2.016 1.00 0.00 H new ATOM 0 HD3 ARG A 5 13.989 0.558 -1.190 1.00 0.00 H new ATOM 0 HE ARG A 5 16.015 2.018 -2.699 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.105 2.076 0.288 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.292 3.041 1.172 1.00 0.00 H new ATOM 0 HH21 ARG A 5 17.551 3.263 -1.559 1.00 0.00 H new ATOM 0 HH22 ARG A 5 17.250 3.715 0.122 1.00 0.00 H new ATOM 103 N LYS A 6 16.814 -2.518 -4.565 1.00 0.00 N ATOM 104 CA LYS A 6 17.912 -3.468 -4.552 1.00 0.00 C ATOM 105 C LYS A 6 17.580 -4.637 -5.481 1.00 0.00 C ATOM 106 O LYS A 6 18.107 -5.736 -5.315 1.00 0.00 O ATOM 107 CB LYS A 6 18.235 -3.896 -3.118 1.00 0.00 C ATOM 108 CG LYS A 6 19.595 -4.594 -3.047 1.00 0.00 C ATOM 109 CD LYS A 6 20.663 -3.658 -2.479 1.00 0.00 C ATOM 110 CE LYS A 6 21.443 -2.970 -3.601 1.00 0.00 C ATOM 111 NZ LYS A 6 22.768 -2.526 -3.115 1.00 0.00 N ATOM 0 H LYS A 6 17.089 -1.550 -4.732 1.00 0.00 H new ATOM 0 HA LYS A 6 18.821 -3.003 -4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.236 -3.023 -2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.458 -4.567 -2.751 1.00 0.00 H new ATOM 0 HG2 LYS A 6 19.518 -5.485 -2.424 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.890 -4.926 -4.042 1.00 0.00 H new ATOM 0 HD2 LYS A 6 20.193 -2.907 -1.845 1.00 0.00 H new ATOM 0 HD3 LYS A 6 21.349 -4.224 -1.848 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.568 -3.656 -4.439 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.879 -2.114 -3.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 23.284 -2.061 -3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.643 -1.855 -2.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.310 -3.349 -2.783 1.00 0.00 H new ATOM 125 N GLY A 7 16.708 -4.361 -6.440 1.00 0.00 N ATOM 126 CA GLY A 7 16.300 -5.375 -7.395 1.00 0.00 C ATOM 127 C GLY A 7 15.417 -6.433 -6.730 1.00 0.00 C ATOM 128 O GLY A 7 15.341 -7.568 -7.198 1.00 0.00 O ATOM 0 H GLY A 7 16.273 -3.448 -6.575 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.757 -4.908 -8.217 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.182 -5.850 -7.825 1.00 0.00 H new ATOM 132 N ARG A 8 14.774 -6.024 -5.647 1.00 0.00 N ATOM 133 CA ARG A 8 13.900 -6.922 -4.911 1.00 0.00 C ATOM 134 C ARG A 8 12.627 -6.189 -4.481 1.00 0.00 C ATOM 135 O ARG A 8 12.650 -4.983 -4.248 1.00 0.00 O ATOM 136 CB ARG A 8 14.601 -7.481 -3.671 1.00 0.00 C ATOM 137 CG ARG A 8 15.543 -6.442 -3.059 1.00 0.00 C ATOM 138 CD ARG A 8 16.409 -7.066 -1.963 1.00 0.00 C ATOM 139 NE ARG A 8 15.785 -6.848 -0.639 1.00 0.00 N ATOM 140 CZ ARG A 8 14.854 -7.650 -0.106 1.00 0.00 C ATOM 141 NH1 ARG A 8 14.432 -8.728 -0.782 1.00 0.00 N ATOM 142 NH2 ARG A 8 14.343 -7.374 1.102 1.00 0.00 N ATOM 0 H ARG A 8 14.841 -5.082 -5.261 1.00 0.00 H new ATOM 0 HA ARG A 8 13.642 -7.749 -5.572 1.00 0.00 H new ATOM 0 HB2 ARG A 8 13.857 -7.782 -2.933 1.00 0.00 H new ATOM 0 HB3 ARG A 8 15.164 -8.375 -3.939 1.00 0.00 H new ATOM 0 HG2 ARG A 8 16.181 -6.022 -3.836 1.00 0.00 H new ATOM 0 HG3 ARG A 8 14.962 -5.619 -2.644 1.00 0.00 H new ATOM 0 HD2 ARG A 8 16.529 -8.134 -2.146 1.00 0.00 H new ATOM 0 HD3 ARG A 8 17.406 -6.626 -1.981 1.00 0.00 H new ATOM 0 HE ARG A 8 16.083 -6.036 -0.098 1.00 0.00 H new ATOM 0 HH11 ARG A 8 14.820 -8.937 -1.702 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.723 -9.339 -0.376 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.663 -6.553 1.616 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.634 -7.985 1.508 1.00 0.00 H new ATOM 156 N ARG A 9 11.546 -6.952 -4.390 1.00 0.00 N ATOM 157 CA ARG A 9 10.267 -6.390 -3.993 1.00 0.00 C ATOM 158 C ARG A 9 10.134 -6.395 -2.469 1.00 0.00 C ATOM 159 O ARG A 9 10.521 -7.360 -1.812 1.00 0.00 O ATOM 160 CB ARG A 9 9.106 -7.181 -4.601 1.00 0.00 C ATOM 161 CG ARG A 9 7.782 -6.817 -3.925 1.00 0.00 C ATOM 162 CD ARG A 9 7.575 -7.634 -2.648 1.00 0.00 C ATOM 163 NE ARG A 9 6.299 -8.378 -2.724 1.00 0.00 N ATOM 164 CZ ARG A 9 6.153 -9.558 -3.343 1.00 0.00 C ATOM 165 NH1 ARG A 9 7.204 -10.134 -3.944 1.00 0.00 N ATOM 166 NH2 ARG A 9 4.957 -10.161 -3.362 1.00 0.00 N ATOM 0 H ARG A 9 11.531 -7.953 -4.584 1.00 0.00 H new ATOM 0 HA ARG A 9 10.227 -5.365 -4.361 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.041 -6.976 -5.670 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.293 -8.249 -4.492 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.772 -5.754 -3.686 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.957 -6.997 -4.614 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.403 -8.330 -2.513 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.569 -6.973 -1.781 1.00 0.00 H new ATOM 0 HE ARG A 9 5.479 -7.968 -2.278 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.114 -9.674 -3.930 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.093 -11.032 -4.415 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.157 -9.722 -2.905 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.846 -11.059 -3.833 1.00 0.00 H new ATOM 180 N ILE A 10 9.589 -5.304 -1.951 1.00 0.00 N ATOM 181 CA ILE A 10 9.401 -5.171 -0.516 1.00 0.00 C ATOM 182 C ILE A 10 7.992 -4.644 -0.237 1.00 0.00 C ATOM 183 O ILE A 10 7.427 -3.914 -1.048 1.00 0.00 O ATOM 184 CB ILE A 10 10.512 -4.311 0.092 1.00 0.00 C ATOM 185 CG1 ILE A 10 11.631 -4.065 -0.922 1.00 0.00 C ATOM 186 CG2 ILE A 10 11.037 -4.929 1.389 1.00 0.00 C ATOM 187 CD1 ILE A 10 11.282 -2.904 -1.855 1.00 0.00 C ATOM 0 H ILE A 10 9.272 -4.504 -2.499 1.00 0.00 H new ATOM 0 HA ILE A 10 9.480 -6.143 -0.029 1.00 0.00 H new ATOM 0 HB ILE A 10 10.091 -3.339 0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.561 -3.847 -0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.800 -4.968 -1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.825 -4.298 1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.223 -5.008 2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 10 11.437 -5.922 1.183 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.095 -2.751 -2.565 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.365 -3.136 -2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.137 -1.997 -1.268 1.00 0.00 H new ATOM 199 N ARG A 11 7.467 -5.036 0.915 1.00 0.00 N ATOM 200 CA ARG A 11 6.134 -4.612 1.311 1.00 0.00 C ATOM 201 C ARG A 11 6.193 -3.846 2.634 1.00 0.00 C ATOM 202 O ARG A 11 6.913 -4.237 3.552 1.00 0.00 O ATOM 203 CB ARG A 11 5.198 -5.812 1.466 1.00 0.00 C ATOM 204 CG ARG A 11 3.757 -5.429 1.126 1.00 0.00 C ATOM 205 CD ARG A 11 2.793 -6.572 1.456 1.00 0.00 C ATOM 206 NE ARG A 11 1.657 -6.061 2.255 1.00 0.00 N ATOM 207 CZ ARG A 11 1.727 -5.778 3.564 1.00 0.00 C ATOM 208 NH1 ARG A 11 2.877 -5.954 4.228 1.00 0.00 N ATOM 209 NH2 ARG A 11 0.645 -5.318 4.208 1.00 0.00 N ATOM 0 H ARG A 11 7.940 -5.642 1.586 1.00 0.00 H new ATOM 0 HA ARG A 11 5.746 -3.962 0.527 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.527 -6.621 0.814 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.247 -6.187 2.488 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.473 -4.537 1.684 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.683 -5.180 0.067 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.426 -7.026 0.536 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.316 -7.352 2.010 1.00 0.00 H new ATOM 0 HE ARG A 11 0.766 -5.915 1.781 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.700 -6.304 3.738 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.929 -5.738 5.224 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.231 -5.184 3.702 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.697 -5.103 5.204 1.00 0.00 H new ATOM 223 N ILE A 12 5.425 -2.767 2.691 1.00 0.00 N ATOM 224 CA ILE A 12 5.381 -1.943 3.887 1.00 0.00 C ATOM 225 C ILE A 12 4.385 -0.800 3.677 1.00 0.00 C ATOM 226 O ILE A 12 4.448 -0.001 2.743 1.00 0.00 O ATOM 227 CB ILE A 12 6.786 -1.472 4.266 1.00 0.00 C ATOM 228 CG1 ILE A 12 7.005 -1.556 5.777 1.00 0.00 C ATOM 229 CG2 ILE A 12 7.057 -0.065 3.726 1.00 0.00 C ATOM 230 CD1 ILE A 12 8.496 -1.526 6.119 1.00 0.00 C ATOM 0 H ILE A 12 4.829 -2.445 1.929 1.00 0.00 H new ATOM 0 HA ILE A 12 5.025 -2.525 4.737 1.00 0.00 H new ATOM 0 HB ILE A 12 7.507 -2.142 3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.499 -0.725 6.268 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.559 -2.473 6.162 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.063 0.246 4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.971 -0.070 2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.330 0.631 4.144 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.623 -1.587 7.200 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.995 -2.372 5.647 1.00 0.00 H new ATOM 0 HD13 ILE A 12 8.934 -0.597 5.754 1.00 0.00 H new ATOM 242 N PRO A 13 3.399 -0.719 4.609 1.00 0.00 N ATOM 243 CA PRO A 13 2.442 0.427 4.661 1.00 0.00 C ATOM 244 C PRO A 13 1.565 0.627 3.373 1.00 0.00 C ATOM 245 O PRO A 13 0.684 -0.173 3.051 1.00 0.00 O ATOM 246 CB PRO A 13 1.660 0.075 5.946 1.00 0.00 C ATOM 247 CG PRO A 13 1.627 -1.455 5.985 1.00 0.00 C ATOM 248 CD PRO A 13 2.996 -1.869 5.447 1.00 0.00 C ATOM 0 HA PRO A 13 2.920 1.406 4.687 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.151 0.482 6.830 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.653 0.491 5.921 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.468 -1.825 6.998 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.820 -1.853 5.370 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.707 -2.047 6.254 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.937 -2.789 4.865 1.00 0.00 H new ATOM 256 N PRO A 14 1.806 1.738 2.649 1.00 0.00 N ATOM 257 CA PRO A 14 0.932 2.148 1.519 1.00 0.00 C ATOM 258 C PRO A 14 0.857 1.195 0.277 1.00 0.00 C ATOM 259 O PRO A 14 -0.162 0.563 0.021 1.00 0.00 O ATOM 260 CB PRO A 14 1.485 3.560 1.222 1.00 0.00 C ATOM 261 CG PRO A 14 2.947 3.545 1.691 1.00 0.00 C ATOM 262 CD PRO A 14 2.946 2.633 2.918 1.00 0.00 C ATOM 0 HA PRO A 14 -0.125 2.113 1.783 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.418 3.790 0.159 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.913 4.323 1.750 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.609 3.164 0.914 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.294 4.547 1.942 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.881 2.081 3.014 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.811 3.196 3.842 1.00 0.00 H new