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= -0.256 (180deg=-0.256) USER MOD Single : A 4 THR OG1 : rot -59:sc= 0.619 USER MOD Single : A 6 LYS NZ :NH3+ -149:sc= -0.0259 (180deg=-0.0808) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.943 0.996 0.479 1.00 0.00 N ATOM 2 CA ARG A 1 2.919 1.172 -0.581 1.00 0.00 C ATOM 3 C ARG A 1 3.694 -0.128 -0.811 1.00 0.00 C ATOM 4 O ARG A 1 4.079 -0.801 0.143 1.00 0.00 O ATOM 5 CB ARG A 1 3.906 2.291 -0.242 1.00 0.00 C ATOM 6 CG ARG A 1 3.324 3.660 -0.599 1.00 0.00 C ATOM 7 CD ARG A 1 4.413 4.736 -0.595 1.00 0.00 C ATOM 8 NE ARG A 1 4.323 5.543 0.642 1.00 0.00 N ATOM 9 CZ ARG A 1 4.897 5.202 1.804 1.00 0.00 C ATOM 10 NH1 ARG A 1 5.607 4.069 1.894 1.00 0.00 N ATOM 11 NH2 ARG A 1 4.762 5.996 2.875 1.00 0.00 N ATOM 0 H3 ARG A 1 1.424 1.886 0.625 1.00 0.00 H new ATOM 0 HA ARG A 1 2.377 1.442 -1.487 1.00 0.00 H new ATOM 0 HB2 ARG A 1 4.146 2.260 0.821 1.00 0.00 H new ATOM 0 HB3 ARG A 1 4.839 2.135 -0.784 1.00 0.00 H new ATOM 0 HG2 ARG A 1 2.856 3.615 -1.582 1.00 0.00 H new ATOM 0 HG3 ARG A 1 2.543 3.925 0.114 1.00 0.00 H new ATOM 0 HD2 ARG A 1 5.396 4.270 -0.664 1.00 0.00 H new ATOM 0 HD3 ARG A 1 4.303 5.380 -1.468 1.00 0.00 H new ATOM 0 HE ARG A 1 3.791 6.413 0.608 1.00 0.00 H new ATOM 0 HH11 ARG A 1 5.711 3.466 1.078 1.00 0.00 H new ATOM 0 HH12 ARG A 1 6.044 3.810 2.779 1.00 0.00 H new ATOM 0 HH21 ARG A 1 4.223 6.859 2.805 1.00 0.00 H new ATOM 0 HH22 ARG A 1 5.198 5.737 3.760 1.00 0.00 H new ATOM 25 N VAL A 2 3.898 -0.441 -2.082 1.00 0.00 N ATOM 26 CA VAL A 2 4.619 -1.648 -2.448 1.00 0.00 C ATOM 27 C VAL A 2 5.428 -1.388 -3.721 1.00 0.00 C ATOM 28 O VAL A 2 4.858 -1.173 -4.789 1.00 0.00 O ATOM 29 CB VAL A 2 3.643 -2.819 -2.589 1.00 0.00 C ATOM 30 CG1 VAL A 2 4.390 -4.152 -2.647 1.00 0.00 C ATOM 31 CG2 VAL A 2 2.615 -2.814 -1.457 1.00 0.00 C ATOM 0 H VAL A 2 3.577 0.120 -2.871 1.00 0.00 H new ATOM 0 HA VAL A 2 5.325 -1.923 -1.664 1.00 0.00 H new ATOM 0 HB VAL A 2 3.106 -2.696 -3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.673 -4.967 -2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.064 -4.154 -3.504 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.966 -4.286 -1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.934 -3.656 -1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.128 -2.900 -0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.049 -1.883 -1.483 1.00 0.00 H new ATOM 41 N ARG A 3 6.743 -1.415 -3.563 1.00 0.00 N ATOM 42 CA ARG A 3 7.636 -1.184 -4.686 1.00 0.00 C ATOM 43 C ARG A 3 8.805 -2.170 -4.645 1.00 0.00 C ATOM 44 O ARG A 3 8.763 -3.159 -3.916 1.00 0.00 O ATOM 45 CB ARG A 3 8.182 0.245 -4.671 1.00 0.00 C ATOM 46 CG ARG A 3 7.818 0.986 -5.959 1.00 0.00 C ATOM 47 CD ARG A 3 9.056 1.623 -6.593 1.00 0.00 C ATOM 48 NE ARG A 3 8.797 1.920 -8.021 1.00 0.00 N ATOM 49 CZ ARG A 3 8.605 0.984 -8.960 1.00 0.00 C ATOM 50 NH1 ARG A 3 8.641 -0.314 -8.630 1.00 0.00 N ATOM 51 NH2 ARG A 3 8.375 1.347 -10.229 1.00 0.00 N ATOM 0 H ARG A 3 7.212 -1.593 -2.675 1.00 0.00 H new ATOM 0 HA ARG A 3 7.063 -1.332 -5.601 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.780 0.782 -3.812 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.265 0.223 -4.554 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.359 0.293 -6.664 1.00 0.00 H new ATOM 0 HG3 ARG A 3 7.078 1.757 -5.743 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.315 2.540 -6.063 1.00 0.00 H new ATOM 0 HD3 ARG A 3 9.909 0.950 -6.502 1.00 0.00 H new ATOM 0 HE ARG A 3 8.763 2.898 -8.307 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.815 -0.590 -7.663 1.00 0.00 H new ATOM 0 HH12 ARG A 3 8.495 -1.026 -9.345 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.346 2.335 -10.480 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.229 0.635 -10.945 1.00 0.00 H new ATOM 65 N THR A 4 9.822 -1.866 -5.439 1.00 0.00 N ATOM 66 CA THR A 4 11.000 -2.713 -5.504 1.00 0.00 C ATOM 67 C THR A 4 12.254 -1.910 -5.154 1.00 0.00 C ATOM 68 O THR A 4 12.177 -0.706 -4.914 1.00 0.00 O ATOM 69 CB THR A 4 11.053 -3.345 -6.896 1.00 0.00 C ATOM 70 OG1 THR A 4 11.353 -4.715 -6.645 1.00 0.00 O ATOM 71 CG2 THR A 4 12.243 -2.847 -7.720 1.00 0.00 C ATOM 0 H THR A 4 9.854 -1.044 -6.043 1.00 0.00 H new ATOM 0 HA THR A 4 10.950 -3.516 -4.769 1.00 0.00 H new ATOM 0 HB THR A 4 10.127 -3.128 -7.428 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.202 -4.780 -6.161 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.234 -3.326 -8.699 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.173 -1.766 -7.844 1.00 0.00 H new ATOM 0 HG23 THR A 4 13.171 -3.093 -7.204 1.00 0.00 H new ATOM 79 N ARG A 5 13.380 -2.609 -5.134 1.00 0.00 N ATOM 80 CA ARG A 5 14.648 -1.976 -4.817 1.00 0.00 C ATOM 81 C ARG A 5 15.753 -3.028 -4.707 1.00 0.00 C ATOM 82 O ARG A 5 15.492 -4.171 -4.332 1.00 0.00 O ATOM 83 CB ARG A 5 14.562 -1.197 -3.503 1.00 0.00 C ATOM 84 CG ARG A 5 15.944 -0.711 -3.061 1.00 0.00 C ATOM 85 CD ARG A 5 15.826 0.450 -2.071 1.00 0.00 C ATOM 86 NE ARG A 5 16.608 0.153 -0.850 1.00 0.00 N ATOM 87 CZ ARG A 5 16.648 0.950 0.228 1.00 0.00 C ATOM 88 NH1 ARG A 5 15.951 2.095 0.241 1.00 0.00 N ATOM 89 NH2 ARG A 5 17.384 0.601 1.291 1.00 0.00 N ATOM 0 H ARG A 5 13.440 -3.608 -5.332 1.00 0.00 H new ATOM 0 HA ARG A 5 14.882 -1.281 -5.623 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.895 -0.344 -3.625 1.00 0.00 H new ATOM 0 HB3 ARG A 5 14.131 -1.831 -2.728 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.492 -1.533 -2.600 1.00 0.00 H new ATOM 0 HG3 ARG A 5 16.518 -0.394 -3.932 1.00 0.00 H new ATOM 0 HD2 ARG A 5 16.188 1.369 -2.531 1.00 0.00 H new ATOM 0 HD3 ARG A 5 14.780 0.614 -1.812 1.00 0.00 H new ATOM 0 HE ARG A 5 17.150 -0.711 -0.827 1.00 0.00 H new ATOM 0 HH11 ARG A 5 15.390 2.360 -0.569 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.981 2.701 1.061 1.00 0.00 H new ATOM 0 HH21 ARG A 5 17.914 -0.271 1.281 1.00 0.00 H new ATOM 0 HH22 ARG A 5 17.415 1.207 2.111 1.00 0.00 H new ATOM 103 N LYS A 6 16.964 -2.605 -5.039 1.00 0.00 N ATOM 104 CA LYS A 6 18.110 -3.497 -4.982 1.00 0.00 C ATOM 105 C LYS A 6 17.758 -4.818 -5.670 1.00 0.00 C ATOM 106 O LYS A 6 18.259 -5.874 -5.286 1.00 0.00 O ATOM 107 CB LYS A 6 18.589 -3.664 -3.538 1.00 0.00 C ATOM 108 CG LYS A 6 20.107 -3.834 -3.479 1.00 0.00 C ATOM 109 CD LYS A 6 20.694 -3.121 -2.260 1.00 0.00 C ATOM 110 CE LYS A 6 20.482 -3.946 -0.988 1.00 0.00 C ATOM 111 NZ LYS A 6 19.241 -3.526 -0.298 1.00 0.00 N ATOM 0 H LYS A 6 17.177 -1.657 -5.348 1.00 0.00 H new ATOM 0 HA LYS A 6 18.953 -3.069 -5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.294 -2.794 -2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 6 18.105 -4.531 -3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 6 20.356 -4.894 -3.439 1.00 0.00 H new ATOM 0 HG3 LYS A 6 20.556 -3.435 -4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.759 -2.949 -2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 6 20.226 -2.143 -2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 6 20.424 -5.005 -1.240 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.335 -3.823 -0.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.352 -3.660 0.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 19.055 -2.523 -0.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.443 -4.101 -0.638 1.00 0.00 H new ATOM 125 N GLY A 7 16.899 -4.715 -6.673 1.00 0.00 N ATOM 126 CA GLY A 7 16.474 -5.889 -7.417 1.00 0.00 C ATOM 127 C GLY A 7 15.642 -6.824 -6.537 1.00 0.00 C ATOM 128 O GLY A 7 15.657 -8.039 -6.729 1.00 0.00 O ATOM 0 H GLY A 7 16.486 -3.837 -6.988 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.888 -5.582 -8.284 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.347 -6.421 -7.795 1.00 0.00 H new ATOM 132 N ARG A 8 14.936 -6.222 -5.591 1.00 0.00 N ATOM 133 CA ARG A 8 14.100 -6.986 -4.682 1.00 0.00 C ATOM 134 C ARG A 8 12.788 -6.244 -4.416 1.00 0.00 C ATOM 135 O ARG A 8 12.684 -5.047 -4.681 1.00 0.00 O ATOM 136 CB ARG A 8 14.815 -7.235 -3.353 1.00 0.00 C ATOM 137 CG ARG A 8 16.015 -8.167 -3.542 1.00 0.00 C ATOM 138 CD ARG A 8 16.121 -9.165 -2.387 1.00 0.00 C ATOM 139 NE ARG A 8 16.642 -8.488 -1.178 1.00 0.00 N ATOM 140 CZ ARG A 8 17.943 -8.293 -0.928 1.00 0.00 C ATOM 141 NH1 ARG A 8 18.865 -8.723 -1.801 1.00 0.00 N ATOM 142 NH2 ARG A 8 18.324 -7.668 0.195 1.00 0.00 N ATOM 0 H ARG A 8 14.926 -5.214 -5.435 1.00 0.00 H new ATOM 0 HA ARG A 8 13.890 -7.946 -5.154 1.00 0.00 H new ATOM 0 HB2 ARG A 8 15.149 -6.287 -2.932 1.00 0.00 H new ATOM 0 HB3 ARG A 8 14.119 -7.673 -2.638 1.00 0.00 H new ATOM 0 HG2 ARG A 8 15.917 -8.705 -4.485 1.00 0.00 H new ATOM 0 HG3 ARG A 8 16.931 -7.579 -3.604 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.142 -9.597 -2.178 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.780 -9.987 -2.666 1.00 0.00 H new ATOM 0 HE ARG A 8 15.967 -8.149 -0.492 1.00 0.00 H new ATOM 0 HH11 ARG A 8 18.575 -9.199 -2.656 1.00 0.00 H new ATOM 0 HH12 ARG A 8 19.856 -8.574 -1.611 1.00 0.00 H new ATOM 0 HH21 ARG A 8 17.623 -7.341 0.860 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.315 -7.520 0.385 1.00 0.00 H new ATOM 156 N ARG A 9 11.821 -6.985 -3.895 1.00 0.00 N ATOM 157 CA ARG A 9 10.520 -6.412 -3.591 1.00 0.00 C ATOM 158 C ARG A 9 10.367 -6.216 -2.082 1.00 0.00 C ATOM 159 O ARG A 9 10.738 -7.089 -1.298 1.00 0.00 O ATOM 160 CB ARG A 9 9.391 -7.309 -4.100 1.00 0.00 C ATOM 161 CG ARG A 9 8.026 -6.773 -3.663 1.00 0.00 C ATOM 162 CD ARG A 9 7.633 -5.541 -4.482 1.00 0.00 C ATOM 163 NE ARG A 9 6.674 -5.924 -5.543 1.00 0.00 N ATOM 164 CZ ARG A 9 5.441 -6.393 -5.306 1.00 0.00 C ATOM 165 NH1 ARG A 9 5.010 -6.541 -4.046 1.00 0.00 N ATOM 166 NH2 ARG A 9 4.640 -6.715 -6.330 1.00 0.00 N ATOM 0 H ARG A 9 11.912 -7.977 -3.676 1.00 0.00 H new ATOM 0 HA ARG A 9 10.456 -5.447 -4.094 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.431 -7.369 -5.188 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.527 -8.322 -3.720 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.271 -7.550 -3.783 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.054 -6.516 -2.604 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.187 -4.789 -3.831 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.521 -5.092 -4.927 1.00 0.00 H new ATOM 0 HE ARG A 9 6.970 -5.825 -6.514 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.620 -6.297 -3.266 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.071 -6.898 -3.867 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.969 -6.603 -7.289 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.702 -7.072 -6.151 1.00 0.00 H new ATOM 180 N ILE A 10 9.820 -5.065 -1.718 1.00 0.00 N ATOM 181 CA ILE A 10 9.613 -4.745 -0.316 1.00 0.00 C ATOM 182 C ILE A 10 8.179 -4.251 -0.117 1.00 0.00 C ATOM 183 O ILE A 10 7.651 -3.516 -0.951 1.00 0.00 O ATOM 184 CB ILE A 10 10.677 -3.758 0.170 1.00 0.00 C ATOM 185 CG1 ILE A 10 11.516 -3.236 -0.998 1.00 0.00 C ATOM 186 CG2 ILE A 10 11.544 -4.382 1.264 1.00 0.00 C ATOM 187 CD1 ILE A 10 10.690 -2.315 -1.898 1.00 0.00 C ATOM 0 H ILE A 10 9.514 -4.343 -2.370 1.00 0.00 H new ATOM 0 HA ILE A 10 9.732 -5.636 0.301 1.00 0.00 H new ATOM 0 HB ILE A 10 10.170 -2.900 0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.382 -2.696 -0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.896 -4.075 -1.581 1.00 0.00 H new ATOM 0 HG21 ILE A 10 12.292 -3.660 1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.916 -4.663 2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.043 -5.268 0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.310 -1.958 -2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.838 -2.865 -2.298 1.00 0.00 H new ATOM 0 HD13 ILE A 10 10.332 -1.465 -1.318 1.00 0.00 H new ATOM 199 N ARG A 11 7.590 -4.674 0.992 1.00 0.00 N ATOM 200 CA ARG A 11 6.227 -4.283 1.311 1.00 0.00 C ATOM 201 C ARG A 11 6.172 -3.635 2.695 1.00 0.00 C ATOM 202 O ARG A 11 6.828 -4.096 3.627 1.00 0.00 O ATOM 203 CB ARG A 11 5.288 -5.491 1.282 1.00 0.00 C ATOM 204 CG ARG A 11 3.870 -5.072 0.884 1.00 0.00 C ATOM 205 CD ARG A 11 2.997 -6.297 0.601 1.00 0.00 C ATOM 206 NE ARG A 11 2.896 -7.137 1.816 1.00 0.00 N ATOM 207 CZ ARG A 11 2.063 -8.180 1.940 1.00 0.00 C ATOM 208 NH1 ARG A 11 1.256 -8.517 0.925 1.00 0.00 N ATOM 209 NH2 ARG A 11 2.040 -8.886 3.078 1.00 0.00 N ATOM 0 H ARG A 11 8.031 -5.283 1.681 1.00 0.00 H new ATOM 0 HA ARG A 11 5.901 -3.566 0.558 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.664 -6.232 0.576 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.269 -5.966 2.263 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.424 -4.479 1.683 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.909 -4.436 -0.001 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.003 -5.981 0.284 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.423 -6.877 -0.218 1.00 0.00 H new ATOM 0 HE ARG A 11 3.497 -6.908 2.607 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.275 -7.980 0.058 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.622 -9.311 1.019 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.656 -8.630 3.850 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.406 -9.680 3.173 1.00 0.00 H new ATOM 223 N ILE A 12 5.381 -2.575 2.786 1.00 0.00 N ATOM 224 CA ILE A 12 5.231 -1.859 4.041 1.00 0.00 C ATOM 225 C ILE A 12 3.991 -0.966 3.969 1.00 0.00 C ATOM 226 O ILE A 12 4.024 0.224 3.653 1.00 0.00 O ATOM 227 CB ILE A 12 6.515 -1.101 4.383 1.00 0.00 C ATOM 228 CG1 ILE A 12 6.635 -0.877 5.891 1.00 0.00 C ATOM 229 CG2 ILE A 12 6.605 0.209 3.599 1.00 0.00 C ATOM 230 CD1 ILE A 12 8.085 -1.030 6.357 1.00 0.00 C ATOM 0 H ILE A 12 4.838 -2.195 2.011 1.00 0.00 H new ATOM 0 HA ILE A 12 5.073 -2.559 4.862 1.00 0.00 H new ATOM 0 HB ILE A 12 7.364 -1.715 4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.272 0.119 6.144 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.003 -1.591 6.419 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.527 0.727 3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.601 -0.006 2.530 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.751 0.840 3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.141 -0.865 7.433 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.438 -2.035 6.125 1.00 0.00 H new ATOM 0 HD13 ILE A 12 8.711 -0.299 5.845 1.00 0.00 H new ATOM 242 N PRO A 13 2.820 -1.582 4.281 1.00 0.00 N ATOM 243 CA PRO A 13 1.537 -0.830 4.427 1.00 0.00 C ATOM 244 C PRO A 13 0.960 -0.222 3.097 1.00 0.00 C ATOM 245 O PRO A 13 0.579 -0.933 2.166 1.00 0.00 O ATOM 246 CB PRO A 13 0.659 -1.911 5.097 1.00 0.00 C ATOM 247 CG PRO A 13 1.157 -3.239 4.520 1.00 0.00 C ATOM 248 CD PRO A 13 2.668 -3.048 4.395 1.00 0.00 C ATOM 0 HA PRO A 13 1.623 0.091 5.003 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.764 -1.888 6.182 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.397 -1.755 4.875 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.914 -4.075 5.176 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.700 -3.450 3.553 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.196 -3.440 5.264 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.067 -3.562 3.521 1.00 0.00 H new ATOM 256 N PRO A 14 0.876 1.122 3.039 1.00 0.00 N ATOM 257 CA PRO A 14 0.180 1.819 1.926 1.00 0.00 C ATOM 258 C PRO A 14 0.743 1.616 0.477 1.00 0.00 C ATOM 259 O PRO A 14 0.327 2.281 -0.465 1.00 0.00 O ATOM 260 CB PRO A 14 0.211 3.278 2.436 1.00 0.00 C ATOM 261 CG PRO A 14 1.429 3.374 3.363 1.00 0.00 C ATOM 262 CD PRO A 14 1.506 2.004 4.037 1.00 0.00 C ATOM 0 HA PRO A 14 -0.815 1.413 1.745 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.295 3.980 1.606 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.707 3.525 2.970 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.338 3.592 2.803 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.308 4.171 4.097 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.535 1.711 4.245 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.972 1.988 4.987 1.00 0.00 H new