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= -0.129 (180deg=-0.129) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.73 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.527 0.193 0.089 1.00 0.00 N ATOM 2 CA ARG A 1 2.434 0.456 -1.015 1.00 0.00 C ATOM 3 C ARG A 1 3.551 -0.588 -1.047 1.00 0.00 C ATOM 4 O ARG A 1 4.142 -0.902 -0.014 1.00 0.00 O ATOM 5 CB ARG A 1 3.052 1.851 -0.899 1.00 0.00 C ATOM 6 CG ARG A 1 3.743 2.255 -2.204 1.00 0.00 C ATOM 7 CD ARG A 1 2.889 3.254 -2.988 1.00 0.00 C ATOM 8 NE ARG A 1 3.409 4.626 -2.794 1.00 0.00 N ATOM 9 CZ ARG A 1 2.801 5.731 -3.246 1.00 0.00 C ATOM 10 NH1 ARG A 1 1.647 5.632 -3.921 1.00 0.00 N ATOM 11 NH2 ARG A 1 3.345 6.935 -3.022 1.00 0.00 N ATOM 0 H3 ARG A 1 0.774 0.910 0.098 1.00 0.00 H new ATOM 0 HA ARG A 1 1.856 0.402 -1.938 1.00 0.00 H new ATOM 0 HB2 ARG A 1 2.277 2.577 -0.654 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.773 1.866 -0.082 1.00 0.00 H new ATOM 0 HG2 ARG A 1 4.715 2.696 -1.984 1.00 0.00 H new ATOM 0 HG3 ARG A 1 3.925 1.370 -2.813 1.00 0.00 H new ATOM 0 HD2 ARG A 1 2.898 2.999 -4.048 1.00 0.00 H new ATOM 0 HD3 ARG A 1 1.852 3.199 -2.655 1.00 0.00 H new ATOM 0 HE ARG A 1 4.285 4.737 -2.284 1.00 0.00 H new ATOM 0 HH11 ARG A 1 1.232 4.716 -4.090 1.00 0.00 H new ATOM 0 HH12 ARG A 1 1.184 6.473 -4.265 1.00 0.00 H new ATOM 0 HH21 ARG A 1 4.222 7.010 -2.507 1.00 0.00 H new ATOM 0 HH22 ARG A 1 2.882 7.776 -3.366 1.00 0.00 H new ATOM 25 N VAL A 2 3.807 -1.100 -2.242 1.00 0.00 N ATOM 26 CA VAL A 2 4.843 -2.103 -2.421 1.00 0.00 C ATOM 27 C VAL A 2 5.868 -1.595 -3.438 1.00 0.00 C ATOM 28 O VAL A 2 5.645 -1.681 -4.644 1.00 0.00 O ATOM 29 CB VAL A 2 4.213 -3.438 -2.824 1.00 0.00 C ATOM 30 CG1 VAL A 2 3.664 -3.379 -4.250 1.00 0.00 C ATOM 31 CG2 VAL A 2 5.215 -4.585 -2.668 1.00 0.00 C ATOM 0 H VAL A 2 3.314 -0.839 -3.096 1.00 0.00 H new ATOM 0 HA VAL A 2 5.373 -2.277 -1.484 1.00 0.00 H new ATOM 0 HB VAL A 2 3.376 -3.630 -2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.222 -4.341 -4.510 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.903 -2.601 -4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.475 -3.153 -4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.743 -5.523 -2.961 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.081 -4.401 -3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.536 -4.649 -1.628 1.00 0.00 H new ATOM 41 N ARG A 3 6.969 -1.079 -2.911 1.00 0.00 N ATOM 42 CA ARG A 3 8.029 -0.557 -3.757 1.00 0.00 C ATOM 43 C ARG A 3 9.001 -1.676 -4.140 1.00 0.00 C ATOM 44 O ARG A 3 8.728 -2.850 -3.895 1.00 0.00 O ATOM 45 CB ARG A 3 8.799 0.560 -3.051 1.00 0.00 C ATOM 46 CG ARG A 3 8.741 1.859 -3.854 1.00 0.00 C ATOM 47 CD ARG A 3 9.480 2.986 -3.129 1.00 0.00 C ATOM 48 NE ARG A 3 9.596 4.167 -4.012 1.00 0.00 N ATOM 49 CZ ARG A 3 10.388 5.218 -3.761 1.00 0.00 C ATOM 50 NH1 ARG A 3 11.138 5.242 -2.652 1.00 0.00 N ATOM 51 NH2 ARG A 3 10.430 6.246 -4.621 1.00 0.00 N ATOM 0 H ARG A 3 7.150 -1.011 -1.909 1.00 0.00 H new ATOM 0 HA ARG A 3 7.566 -0.150 -4.656 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.380 0.723 -2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.838 0.260 -2.914 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.184 1.703 -4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 3 7.702 2.145 -4.014 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.946 3.255 -2.218 1.00 0.00 H new ATOM 0 HD3 ARG A 3 10.472 2.647 -2.829 1.00 0.00 H new ATOM 0 HE ARG A 3 9.038 4.182 -4.866 1.00 0.00 H new ATOM 0 HH11 ARG A 3 11.106 4.460 -1.998 1.00 0.00 H new ATOM 0 HH12 ARG A 3 11.741 6.042 -2.461 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.859 6.228 -5.466 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.033 7.046 -4.430 1.00 0.00 H new ATOM 65 N THR A 4 10.114 -1.271 -4.735 1.00 0.00 N ATOM 66 CA THR A 4 11.127 -2.224 -5.153 1.00 0.00 C ATOM 67 C THR A 4 12.523 -1.614 -5.013 1.00 0.00 C ATOM 68 O THR A 4 12.727 -0.444 -5.329 1.00 0.00 O ATOM 69 CB THR A 4 10.799 -2.668 -6.580 1.00 0.00 C ATOM 70 OG1 THR A 4 9.374 -2.693 -6.617 1.00 0.00 O ATOM 71 CG2 THR A 4 11.204 -4.117 -6.851 1.00 0.00 C ATOM 0 H THR A 4 10.336 -0.296 -4.937 1.00 0.00 H new ATOM 0 HA THR A 4 11.126 -3.107 -4.514 1.00 0.00 H new ATOM 0 HB THR A 4 11.304 -2.012 -7.289 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.075 -2.970 -7.508 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.949 -4.380 -7.877 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.278 -4.228 -6.704 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.674 -4.777 -6.165 1.00 0.00 H new ATOM 79 N ARG A 5 13.448 -2.435 -4.537 1.00 0.00 N ATOM 80 CA ARG A 5 14.819 -1.991 -4.351 1.00 0.00 C ATOM 81 C ARG A 5 15.784 -3.166 -4.521 1.00 0.00 C ATOM 82 O ARG A 5 15.398 -4.321 -4.354 1.00 0.00 O ATOM 83 CB ARG A 5 15.014 -1.376 -2.964 1.00 0.00 C ATOM 84 CG ARG A 5 14.624 0.104 -2.962 1.00 0.00 C ATOM 85 CD ARG A 5 14.773 0.707 -1.564 1.00 0.00 C ATOM 86 NE ARG A 5 13.448 1.106 -1.040 1.00 0.00 N ATOM 87 CZ ARG A 5 13.236 1.560 0.203 1.00 0.00 C ATOM 88 NH1 ARG A 5 14.262 1.677 1.058 1.00 0.00 N ATOM 89 NH2 ARG A 5 11.999 1.898 0.591 1.00 0.00 N ATOM 0 H ARG A 5 13.275 -3.405 -4.275 1.00 0.00 H new ATOM 0 HA ARG A 5 15.028 -1.232 -5.105 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.410 -1.916 -2.234 1.00 0.00 H new ATOM 0 HB3 ARG A 5 16.055 -1.482 -2.658 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.251 0.650 -3.667 1.00 0.00 H new ATOM 0 HG3 ARG A 5 13.594 0.213 -3.301 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.235 -0.018 -0.894 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.434 1.573 -1.601 1.00 0.00 H new ATOM 0 HE ARG A 5 12.645 1.031 -1.664 1.00 0.00 H new ATOM 0 HH11 ARG A 5 15.204 1.421 0.762 1.00 0.00 H new ATOM 0 HH12 ARG A 5 14.101 2.023 2.004 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.218 1.810 -0.060 1.00 0.00 H new ATOM 0 HH22 ARG A 5 11.838 2.243 1.537 1.00 0.00 H new ATOM 103 N LYS A 6 17.023 -2.829 -4.850 1.00 0.00 N ATOM 104 CA LYS A 6 18.047 -3.842 -5.045 1.00 0.00 C ATOM 105 C LYS A 6 17.463 -5.003 -5.852 1.00 0.00 C ATOM 106 O LYS A 6 17.671 -6.167 -5.511 1.00 0.00 O ATOM 107 CB LYS A 6 18.643 -4.265 -3.701 1.00 0.00 C ATOM 108 CG LYS A 6 19.510 -3.150 -3.110 1.00 0.00 C ATOM 109 CD LYS A 6 19.217 -2.960 -1.620 1.00 0.00 C ATOM 110 CE LYS A 6 19.561 -1.538 -1.171 1.00 0.00 C ATOM 111 NZ LYS A 6 20.983 -1.451 -0.771 1.00 0.00 N ATOM 0 H LYS A 6 17.341 -1.869 -4.986 1.00 0.00 H new ATOM 0 HA LYS A 6 18.878 -3.438 -5.624 1.00 0.00 H new ATOM 0 HB2 LYS A 6 17.841 -4.514 -3.006 1.00 0.00 H new ATOM 0 HB3 LYS A 6 19.242 -5.166 -3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 6 20.564 -3.391 -3.249 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.323 -2.218 -3.643 1.00 0.00 H new ATOM 0 HD2 LYS A 6 18.164 -3.162 -1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.794 -3.679 -1.038 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.361 -0.836 -1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.924 -1.250 -0.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.200 -0.480 -0.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.163 -2.107 0.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 21.587 -1.706 -1.578 1.00 0.00 H new ATOM 125 N GLY A 7 16.745 -4.647 -6.906 1.00 0.00 N ATOM 126 CA GLY A 7 16.130 -5.645 -7.764 1.00 0.00 C ATOM 127 C GLY A 7 15.332 -6.658 -6.942 1.00 0.00 C ATOM 128 O GLY A 7 15.299 -7.843 -7.271 1.00 0.00 O ATOM 0 H GLY A 7 16.575 -3.681 -7.186 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.473 -5.156 -8.483 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.900 -6.162 -8.336 1.00 0.00 H new ATOM 132 N ARG A 8 14.707 -6.155 -5.887 1.00 0.00 N ATOM 133 CA ARG A 8 13.912 -7.002 -5.015 1.00 0.00 C ATOM 134 C ARG A 8 12.606 -6.298 -4.638 1.00 0.00 C ATOM 135 O ARG A 8 12.485 -5.084 -4.792 1.00 0.00 O ATOM 136 CB ARG A 8 14.679 -7.355 -3.739 1.00 0.00 C ATOM 137 CG ARG A 8 15.881 -8.248 -4.053 1.00 0.00 C ATOM 138 CD ARG A 8 16.847 -8.303 -2.867 1.00 0.00 C ATOM 139 NE ARG A 8 16.429 -9.363 -1.923 1.00 0.00 N ATOM 140 CZ ARG A 8 15.505 -9.195 -0.967 1.00 0.00 C ATOM 141 NH1 ARG A 8 14.898 -8.010 -0.822 1.00 0.00 N ATOM 142 NH2 ARG A 8 15.190 -10.214 -0.155 1.00 0.00 N ATOM 0 H ARG A 8 14.735 -5.172 -5.617 1.00 0.00 H new ATOM 0 HA ARG A 8 13.691 -7.921 -5.558 1.00 0.00 H new ATOM 0 HB2 ARG A 8 15.017 -6.442 -3.249 1.00 0.00 H new ATOM 0 HB3 ARG A 8 14.015 -7.864 -3.040 1.00 0.00 H new ATOM 0 HG2 ARG A 8 15.538 -9.254 -4.294 1.00 0.00 H new ATOM 0 HG3 ARG A 8 16.401 -7.869 -4.933 1.00 0.00 H new ATOM 0 HD2 ARG A 8 17.859 -8.498 -3.221 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.867 -7.339 -2.359 1.00 0.00 H new ATOM 0 HE ARG A 8 16.872 -10.278 -2.005 1.00 0.00 H new ATOM 0 HH11 ARG A 8 15.139 -7.235 -1.439 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.195 -7.883 -0.094 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.653 -11.116 -0.265 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.487 -10.087 0.573 1.00 0.00 H new ATOM 156 N ARG A 9 11.663 -7.090 -4.149 1.00 0.00 N ATOM 157 CA ARG A 9 10.372 -6.558 -3.749 1.00 0.00 C ATOM 158 C ARG A 9 10.312 -6.399 -2.228 1.00 0.00 C ATOM 159 O ARG A 9 10.892 -7.197 -1.493 1.00 0.00 O ATOM 160 CB ARG A 9 9.234 -7.474 -4.204 1.00 0.00 C ATOM 161 CG ARG A 9 7.874 -6.894 -3.811 1.00 0.00 C ATOM 162 CD ARG A 9 7.334 -7.568 -2.548 1.00 0.00 C ATOM 163 NE ARG A 9 6.792 -8.904 -2.881 1.00 0.00 N ATOM 164 CZ ARG A 9 6.552 -9.864 -1.977 1.00 0.00 C ATOM 165 NH1 ARG A 9 6.805 -9.641 -0.680 1.00 0.00 N ATOM 166 NH2 ARG A 9 6.059 -11.047 -2.370 1.00 0.00 N ATOM 0 H ARG A 9 11.768 -8.096 -4.021 1.00 0.00 H new ATOM 0 HA ARG A 9 10.252 -5.585 -4.225 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.279 -7.606 -5.285 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.356 -8.461 -3.757 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.967 -5.821 -3.643 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.167 -7.028 -4.630 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.129 -7.663 -1.808 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.554 -6.951 -2.101 1.00 0.00 H new ATOM 0 HE ARG A 9 6.588 -9.107 -3.860 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.180 -8.741 -0.381 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.622 -10.371 0.008 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.866 -11.217 -3.357 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.876 -11.777 -1.682 1.00 0.00 H new ATOM 180 N ILE A 10 9.606 -5.362 -1.801 1.00 0.00 N ATOM 181 CA ILE A 10 9.463 -5.087 -0.382 1.00 0.00 C ATOM 182 C ILE A 10 8.028 -4.642 -0.095 1.00 0.00 C ATOM 183 O ILE A 10 7.308 -4.229 -1.004 1.00 0.00 O ATOM 184 CB ILE A 10 10.521 -4.084 0.079 1.00 0.00 C ATOM 185 CG1 ILE A 10 11.783 -4.183 -0.780 1.00 0.00 C ATOM 186 CG2 ILE A 10 10.828 -4.255 1.569 1.00 0.00 C ATOM 187 CD1 ILE A 10 11.609 -3.427 -2.099 1.00 0.00 C ATOM 0 H ILE A 10 9.127 -4.702 -2.414 1.00 0.00 H new ATOM 0 HA ILE A 10 9.639 -5.991 0.200 1.00 0.00 H new ATOM 0 HB ILE A 10 10.119 -3.080 -0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.633 -3.775 -0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.007 -5.230 -0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.583 -3.529 1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.919 -4.094 2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 10 11.201 -5.263 1.750 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.520 -3.513 -2.691 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.774 -3.853 -2.655 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.409 -2.376 -1.892 1.00 0.00 H new ATOM 199 N ARG A 11 7.653 -4.742 1.173 1.00 0.00 N ATOM 200 CA ARG A 11 6.316 -4.355 1.590 1.00 0.00 C ATOM 201 C ARG A 11 6.389 -3.379 2.767 1.00 0.00 C ATOM 202 O ARG A 11 7.216 -3.543 3.663 1.00 0.00 O ATOM 203 CB ARG A 11 5.491 -5.576 2.000 1.00 0.00 C ATOM 204 CG ARG A 11 3.993 -5.276 1.926 1.00 0.00 C ATOM 205 CD ARG A 11 3.200 -6.532 1.559 1.00 0.00 C ATOM 206 NE ARG A 11 2.726 -7.208 2.788 1.00 0.00 N ATOM 207 CZ ARG A 11 2.046 -8.363 2.795 1.00 0.00 C ATOM 208 NH1 ARG A 11 1.757 -8.977 1.640 1.00 0.00 N ATOM 209 NH2 ARG A 11 1.656 -8.903 3.958 1.00 0.00 N ATOM 0 H ARG A 11 8.252 -5.085 1.924 1.00 0.00 H new ATOM 0 HA ARG A 11 5.831 -3.872 0.742 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.730 -6.416 1.348 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.756 -5.874 3.014 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.648 -4.891 2.886 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.811 -4.497 1.186 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.351 -6.265 0.930 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.825 -7.211 0.979 1.00 0.00 H new ATOM 0 HE ARG A 11 2.930 -6.767 3.685 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.054 -8.566 0.755 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.240 -9.856 1.645 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.877 -8.435 4.837 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.138 -9.782 3.964 1.00 0.00 H new ATOM 223 N ILE A 12 5.514 -2.386 2.726 1.00 0.00 N ATOM 224 CA ILE A 12 5.469 -1.384 3.778 1.00 0.00 C ATOM 225 C ILE A 12 4.197 -0.547 3.626 1.00 0.00 C ATOM 226 O ILE A 12 4.112 0.440 2.896 1.00 0.00 O ATOM 227 CB ILE A 12 6.754 -0.554 3.783 1.00 0.00 C ATOM 228 CG1 ILE A 12 7.064 -0.032 5.187 1.00 0.00 C ATOM 229 CG2 ILE A 12 6.681 0.576 2.754 1.00 0.00 C ATOM 230 CD1 ILE A 12 8.556 0.272 5.342 1.00 0.00 C ATOM 0 H ILE A 12 4.830 -2.253 1.981 1.00 0.00 H new ATOM 0 HA ILE A 12 5.422 -1.862 4.757 1.00 0.00 H new ATOM 0 HB ILE A 12 7.580 -1.202 3.491 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.483 0.870 5.380 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.761 -0.771 5.929 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.607 1.151 2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.542 0.153 1.759 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.842 1.230 2.991 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.749 0.642 6.349 1.00 0.00 H new ATOM 0 HD12 ILE A 12 9.132 -0.638 5.172 1.00 0.00 H new ATOM 0 HD13 ILE A 12 8.851 1.029 4.615 1.00 0.00 H new ATOM 242 N PRO A 13 3.137 -0.972 4.365 1.00 0.00 N ATOM 243 CA PRO A 13 1.873 -0.185 4.473 1.00 0.00 C ATOM 244 C PRO A 13 1.038 -0.071 3.145 1.00 0.00 C ATOM 245 O PRO A 13 0.519 -1.054 2.614 1.00 0.00 O ATOM 246 CB PRO A 13 1.177 -0.937 5.629 1.00 0.00 C ATOM 247 CG PRO A 13 1.617 -2.396 5.474 1.00 0.00 C ATOM 248 CD PRO A 13 3.070 -2.299 5.014 1.00 0.00 C ATOM 0 HA PRO A 13 2.025 0.877 4.663 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.475 -0.535 6.597 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.093 -0.843 5.565 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.532 -2.940 6.415 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.002 -2.923 4.744 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.762 -2.371 5.853 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.326 -3.099 4.319 1.00 0.00 H new ATOM 256 N PRO A 14 0.897 1.166 2.631 1.00 0.00 N ATOM 257 CA PRO A 14 -0.017 1.446 1.492 1.00 0.00 C ATOM 258 C PRO A 14 0.282 0.731 0.129 1.00 0.00 C ATOM 259 O PRO A 14 -0.330 1.027 -0.891 1.00 0.00 O ATOM 260 CB PRO A 14 0.046 2.989 1.442 1.00 0.00 C ATOM 261 CG PRO A 14 1.407 3.374 2.036 1.00 0.00 C ATOM 262 CD PRO A 14 1.661 2.326 3.123 1.00 0.00 C ATOM 0 HA PRO A 14 -1.012 1.030 1.651 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.050 3.351 0.418 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.769 3.432 2.014 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.190 3.357 1.278 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.388 4.381 2.452 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.722 2.099 3.228 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.309 2.660 4.099 1.00 0.00 H new