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 H3 : 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 -48:sc= -0.164! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.716 0.318 -0.218 1.00 0.00 N ATOM 2 CA ARG A 1 1.302 -0.964 -0.761 1.00 0.00 C ATOM 3 C ARG A 1 2.327 -1.465 -1.782 1.00 0.00 C ATOM 4 O ARG A 1 2.412 -0.938 -2.890 1.00 0.00 O ATOM 5 CB ARG A 1 -0.069 -0.862 -1.432 1.00 0.00 C ATOM 6 CG ARG A 1 -1.167 -1.414 -0.522 1.00 0.00 C ATOM 7 CD ARG A 1 -2.058 -2.405 -1.276 1.00 0.00 C ATOM 8 NE ARG A 1 -2.926 -3.131 -0.323 1.00 0.00 N ATOM 9 CZ ARG A 1 -3.819 -4.063 -0.681 1.00 0.00 C ATOM 10 NH1 ARG A 1 -3.966 -4.389 -1.973 1.00 0.00 N ATOM 11 NH2 ARG A 1 -4.565 -4.671 0.251 1.00 0.00 N ATOM 0 H2 ARG A 1 1.012 0.646 0.473 1.00 0.00 H new ATOM 0 HA ARG A 1 1.236 -1.669 0.068 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -0.282 0.179 -1.675 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -0.060 -1.413 -2.372 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -0.717 -1.907 0.339 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -1.773 -0.593 -0.139 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -2.669 -1.875 -2.006 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -1.441 -3.112 -1.830 1.00 0.00 H new ATOM 0 HE ARG A 1 -2.839 -2.908 0.669 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -3.398 -3.927 -2.683 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -4.646 -5.099 -2.246 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -4.453 -4.424 1.234 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -5.245 -5.381 -0.023 1.00 0.00 H new ATOM 25 N VAL A 2 3.078 -2.475 -1.371 1.00 0.00 N ATOM 26 CA VAL A 2 4.094 -3.052 -2.236 1.00 0.00 C ATOM 27 C VAL A 2 5.144 -1.989 -2.562 1.00 0.00 C ATOM 28 O VAL A 2 4.804 -0.885 -2.984 1.00 0.00 O ATOM 29 CB VAL A 2 3.440 -3.650 -3.484 1.00 0.00 C ATOM 30 CG1 VAL A 2 3.793 -2.835 -4.730 1.00 0.00 C ATOM 31 CG2 VAL A 2 3.833 -5.118 -3.659 1.00 0.00 C ATOM 0 H VAL A 2 3.004 -2.909 -0.451 1.00 0.00 H new ATOM 0 HA VAL A 2 4.607 -3.870 -1.730 1.00 0.00 H new ATOM 0 HB VAL A 2 2.359 -3.607 -3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.316 -3.280 -5.603 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.441 -1.811 -4.607 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.874 -2.832 -4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.355 -5.519 -4.553 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.915 -5.195 -3.761 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.509 -5.688 -2.788 1.00 0.00 H new ATOM 41 N ARG A 3 6.399 -2.359 -2.353 1.00 0.00 N ATOM 42 CA ARG A 3 7.502 -1.451 -2.620 1.00 0.00 C ATOM 43 C ARG A 3 8.558 -2.138 -3.487 1.00 0.00 C ATOM 44 O ARG A 3 8.332 -3.236 -3.994 1.00 0.00 O ATOM 45 CB ARG A 3 8.150 -0.975 -1.318 1.00 0.00 C ATOM 46 CG ARG A 3 8.215 0.552 -1.264 1.00 0.00 C ATOM 47 CD ARG A 3 6.880 1.142 -0.805 1.00 0.00 C ATOM 48 NE ARG A 3 6.362 2.078 -1.828 1.00 0.00 N ATOM 49 CZ ARG A 3 6.775 3.345 -1.965 1.00 0.00 C ATOM 50 NH1 ARG A 3 7.715 3.836 -1.145 1.00 0.00 N ATOM 51 NH2 ARG A 3 6.250 4.122 -2.922 1.00 0.00 N ATOM 0 H ARG A 3 6.677 -3.275 -2.002 1.00 0.00 H new ATOM 0 HA ARG A 3 7.100 -0.587 -3.149 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.581 -1.349 -0.467 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.155 -1.388 -1.236 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.007 0.862 -0.582 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.470 0.944 -2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.159 0.342 -0.634 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.010 1.663 0.144 1.00 0.00 H new ATOM 0 HE ARG A 3 5.646 1.737 -2.469 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.116 3.245 -0.417 1.00 0.00 H new ATOM 0 HH12 ARG A 3 8.029 4.801 -1.249 1.00 0.00 H new ATOM 0 HH21 ARG A 3 5.535 3.749 -3.547 1.00 0.00 H new ATOM 0 HH22 ARG A 3 6.565 5.087 -3.026 1.00 0.00 H new ATOM 65 N THR A 4 9.690 -1.465 -3.630 1.00 0.00 N ATOM 66 CA THR A 4 10.782 -1.997 -4.428 1.00 0.00 C ATOM 67 C THR A 4 12.112 -1.385 -3.984 1.00 0.00 C ATOM 68 O THR A 4 12.159 -0.230 -3.563 1.00 0.00 O ATOM 69 CB THR A 4 10.458 -1.745 -5.901 1.00 0.00 C ATOM 70 OG1 THR A 4 9.091 -2.128 -6.026 1.00 0.00 O ATOM 71 CG2 THR A 4 11.200 -2.703 -6.835 1.00 0.00 C ATOM 0 H THR A 4 9.875 -0.556 -3.207 1.00 0.00 H new ATOM 0 HA THR A 4 10.890 -3.072 -4.285 1.00 0.00 H new ATOM 0 HB THR A 4 10.713 -0.717 -6.158 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.958 -3.006 -5.612 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.935 -2.482 -7.869 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.275 -2.581 -6.702 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.920 -3.730 -6.600 1.00 0.00 H new ATOM 79 N ARG A 5 13.162 -2.187 -4.096 1.00 0.00 N ATOM 80 CA ARG A 5 14.490 -1.738 -3.712 1.00 0.00 C ATOM 81 C ARG A 5 15.516 -2.846 -3.962 1.00 0.00 C ATOM 82 O ARG A 5 15.173 -4.026 -3.964 1.00 0.00 O ATOM 83 CB ARG A 5 14.531 -1.338 -2.236 1.00 0.00 C ATOM 84 CG ARG A 5 15.931 -0.870 -1.834 1.00 0.00 C ATOM 85 CD ARG A 5 15.885 -0.050 -0.543 1.00 0.00 C ATOM 86 NE ARG A 5 17.238 0.450 -0.213 1.00 0.00 N ATOM 87 CZ ARG A 5 17.491 1.365 0.733 1.00 0.00 C ATOM 88 NH1 ARG A 5 16.484 1.884 1.450 1.00 0.00 N ATOM 89 NH2 ARG A 5 18.750 1.759 0.965 1.00 0.00 N ATOM 0 H ARG A 5 13.120 -3.144 -4.447 1.00 0.00 H new ATOM 0 HA ARG A 5 14.735 -0.866 -4.319 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.810 -0.541 -2.051 1.00 0.00 H new ATOM 0 HB3 ARG A 5 14.235 -2.185 -1.617 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.582 -1.734 -1.698 1.00 0.00 H new ATOM 0 HG3 ARG A 5 16.362 -0.270 -2.635 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.197 0.787 -0.659 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.506 -0.664 0.274 1.00 0.00 H new ATOM 0 HE ARG A 5 18.028 0.075 -0.738 1.00 0.00 H new ATOM 0 HH11 ARG A 5 15.525 1.582 1.276 1.00 0.00 H new ATOM 0 HH12 ARG A 5 16.677 2.580 2.170 1.00 0.00 H new ATOM 0 HH21 ARG A 5 19.517 1.363 0.422 1.00 0.00 H new ATOM 0 HH22 ARG A 5 18.942 2.455 1.685 1.00 0.00 H new ATOM 103 N LYS A 6 16.756 -2.423 -4.167 1.00 0.00 N ATOM 104 CA LYS A 6 17.834 -3.365 -4.417 1.00 0.00 C ATOM 105 C LYS A 6 17.383 -4.382 -5.467 1.00 0.00 C ATOM 106 O LYS A 6 17.654 -5.575 -5.337 1.00 0.00 O ATOM 107 CB LYS A 6 18.306 -4.000 -3.108 1.00 0.00 C ATOM 108 CG LYS A 6 19.382 -3.143 -2.438 1.00 0.00 C ATOM 109 CD LYS A 6 19.918 -3.822 -1.177 1.00 0.00 C ATOM 110 CE LYS A 6 21.432 -4.027 -1.267 1.00 0.00 C ATOM 111 NZ LYS A 6 21.746 -5.437 -1.592 1.00 0.00 N ATOM 0 H LYS A 6 17.037 -1.443 -4.165 1.00 0.00 H new ATOM 0 HA LYS A 6 18.703 -2.849 -4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 6 17.459 -4.120 -2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 6 18.701 -4.997 -3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 6 20.200 -2.968 -3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 6 18.968 -2.168 -2.182 1.00 0.00 H new ATOM 0 HD2 LYS A 6 19.681 -3.215 -0.304 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.424 -4.784 -1.040 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.849 -3.370 -2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.899 -3.753 -0.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 22.777 -5.559 -1.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.365 -6.058 -0.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 21.317 -5.687 -2.506 1.00 0.00 H new ATOM 125 N GLY A 7 16.706 -3.873 -6.485 1.00 0.00 N ATOM 126 CA GLY A 7 16.215 -4.723 -7.558 1.00 0.00 C ATOM 127 C GLY A 7 15.438 -5.916 -7.000 1.00 0.00 C ATOM 128 O GLY A 7 15.492 -7.012 -7.555 1.00 0.00 O ATOM 0 H GLY A 7 16.485 -2.883 -6.590 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.572 -4.144 -8.221 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.053 -5.078 -8.158 1.00 0.00 H new ATOM 132 N ARG A 8 14.732 -5.663 -5.907 1.00 0.00 N ATOM 133 CA ARG A 8 13.944 -6.703 -5.267 1.00 0.00 C ATOM 134 C ARG A 8 12.542 -6.182 -4.943 1.00 0.00 C ATOM 135 O ARG A 8 12.308 -4.975 -4.945 1.00 0.00 O ATOM 136 CB ARG A 8 14.612 -7.186 -3.979 1.00 0.00 C ATOM 137 CG ARG A 8 15.916 -7.927 -4.283 1.00 0.00 C ATOM 138 CD ARG A 8 16.123 -9.093 -3.313 1.00 0.00 C ATOM 139 NE ARG A 8 17.497 -9.060 -2.767 1.00 0.00 N ATOM 140 CZ ARG A 8 17.955 -9.903 -1.832 1.00 0.00 C ATOM 141 NH1 ARG A 8 17.150 -10.850 -1.332 1.00 0.00 N ATOM 142 NH2 ARG A 8 19.218 -9.800 -1.396 1.00 0.00 N ATOM 0 H ARG A 8 14.689 -4.753 -5.449 1.00 0.00 H new ATOM 0 HA ARG A 8 13.873 -7.540 -5.961 1.00 0.00 H new ATOM 0 HB2 ARG A 8 14.816 -6.335 -3.329 1.00 0.00 H new ATOM 0 HB3 ARG A 8 13.933 -7.845 -3.438 1.00 0.00 H new ATOM 0 HG2 ARG A 8 15.896 -8.300 -5.307 1.00 0.00 H new ATOM 0 HG3 ARG A 8 16.756 -7.236 -4.212 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.399 -9.034 -2.501 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.950 -10.039 -3.826 1.00 0.00 H new ATOM 0 HE ARG A 8 18.136 -8.350 -3.125 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.189 -10.929 -1.663 1.00 0.00 H new ATOM 0 HH12 ARG A 8 17.499 -11.492 -0.620 1.00 0.00 H new ATOM 0 HH21 ARG A 8 19.832 -9.079 -1.776 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.566 -10.442 -0.684 1.00 0.00 H new ATOM 156 N ARG A 9 11.646 -7.120 -4.671 1.00 0.00 N ATOM 157 CA ARG A 9 10.274 -6.771 -4.345 1.00 0.00 C ATOM 158 C ARG A 9 10.022 -6.950 -2.847 1.00 0.00 C ATOM 159 O ARG A 9 10.345 -7.993 -2.279 1.00 0.00 O ATOM 160 CB ARG A 9 9.284 -7.637 -5.127 1.00 0.00 C ATOM 161 CG ARG A 9 7.853 -7.412 -4.638 1.00 0.00 C ATOM 162 CD ARG A 9 7.349 -6.023 -5.036 1.00 0.00 C ATOM 163 NE ARG A 9 7.041 -5.992 -6.483 1.00 0.00 N ATOM 164 CZ ARG A 9 6.515 -4.935 -7.117 1.00 0.00 C ATOM 165 NH1 ARG A 9 6.235 -3.816 -6.435 1.00 0.00 N ATOM 166 NH2 ARG A 9 6.269 -4.996 -8.432 1.00 0.00 N ATOM 0 H ARG A 9 11.844 -8.121 -4.670 1.00 0.00 H new ATOM 0 HA ARG A 9 10.124 -5.727 -4.621 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.350 -7.402 -6.189 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.549 -8.689 -5.016 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.197 -8.175 -5.058 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.814 -7.520 -3.554 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.458 -5.772 -4.461 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.103 -5.272 -4.800 1.00 0.00 H new ATOM 0 HE ARG A 9 7.242 -6.828 -7.032 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.422 -3.769 -5.433 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.835 -3.011 -6.917 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.482 -5.847 -8.952 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.869 -4.191 -8.914 1.00 0.00 H new ATOM 180 N ILE A 10 9.449 -5.917 -2.247 1.00 0.00 N ATOM 181 CA ILE A 10 9.150 -5.946 -0.826 1.00 0.00 C ATOM 182 C ILE A 10 7.842 -5.196 -0.568 1.00 0.00 C ATOM 183 O ILE A 10 7.352 -4.479 -1.438 1.00 0.00 O ATOM 184 CB ILE A 10 10.335 -5.413 -0.018 1.00 0.00 C ATOM 185 CG1 ILE A 10 11.657 -5.693 -0.735 1.00 0.00 C ATOM 186 CG2 ILE A 10 10.325 -5.975 1.406 1.00 0.00 C ATOM 187 CD1 ILE A 10 11.853 -4.739 -1.917 1.00 0.00 C ATOM 0 H ILE A 10 9.184 -5.053 -2.720 1.00 0.00 H new ATOM 0 HA ILE A 10 9.000 -6.972 -0.489 1.00 0.00 H new ATOM 0 HB ILE A 10 10.235 -4.331 0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.485 -5.585 -0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.672 -6.724 -1.089 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.178 -5.580 1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.402 -5.683 1.906 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.389 -7.062 1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.800 -4.959 -2.409 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.036 -4.867 -2.627 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.862 -3.710 -1.557 1.00 0.00 H new ATOM 199 N ARG A 11 7.315 -5.386 0.632 1.00 0.00 N ATOM 200 CA ARG A 11 6.074 -4.736 1.017 1.00 0.00 C ATOM 201 C ARG A 11 6.307 -3.813 2.215 1.00 0.00 C ATOM 202 O ARG A 11 7.016 -4.174 3.153 1.00 0.00 O ATOM 203 CB ARG A 11 5.000 -5.765 1.376 1.00 0.00 C ATOM 204 CG ARG A 11 3.614 -5.119 1.425 1.00 0.00 C ATOM 205 CD ARG A 11 2.714 -5.667 0.316 1.00 0.00 C ATOM 206 NE ARG A 11 1.984 -6.860 0.801 1.00 0.00 N ATOM 207 CZ ARG A 11 0.867 -7.338 0.236 1.00 0.00 C ATOM 208 NH1 ARG A 11 0.344 -6.728 -0.836 1.00 0.00 N ATOM 209 NH2 ARG A 11 0.272 -8.425 0.744 1.00 0.00 N ATOM 0 H ARG A 11 7.725 -5.981 1.351 1.00 0.00 H new ATOM 0 HA ARG A 11 5.729 -4.151 0.165 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.004 -6.571 0.642 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.230 -6.214 2.342 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.156 -5.306 2.396 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.709 -4.038 1.321 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.006 -4.901 -0.001 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.314 -5.927 -0.556 1.00 0.00 H new ATOM 0 HE ARG A 11 2.354 -7.349 1.616 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.796 -5.899 -1.222 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.506 -7.092 -1.266 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.669 -8.889 1.561 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.578 -8.789 0.314 1.00 0.00 H new ATOM 223 N ILE A 12 5.694 -2.640 2.145 1.00 0.00 N ATOM 224 CA ILE A 12 5.826 -1.662 3.212 1.00 0.00 C ATOM 225 C ILE A 12 5.001 -0.421 2.866 1.00 0.00 C ATOM 226 O ILE A 12 4.784 -0.044 1.714 1.00 0.00 O ATOM 227 CB ILE A 12 7.302 -1.364 3.487 1.00 0.00 C ATOM 228 CG1 ILE A 12 7.579 -1.304 4.990 1.00 0.00 C ATOM 229 CG2 ILE A 12 7.744 -0.085 2.771 1.00 0.00 C ATOM 230 CD1 ILE A 12 8.996 -1.787 5.305 1.00 0.00 C ATOM 0 H ILE A 12 5.105 -2.345 1.366 1.00 0.00 H new ATOM 0 HA ILE A 12 5.427 -2.060 4.145 1.00 0.00 H new ATOM 0 HB ILE A 12 7.897 -2.183 3.083 1.00 0.00 H new ATOM 0 HG12 ILE A 12 7.451 -0.282 5.347 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.854 -1.920 5.522 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.796 0.105 2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.605 -0.203 1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.146 0.755 3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.168 -1.734 6.380 1.00 0.00 H new ATOM 0 HD12 ILE A 12 9.112 -2.817 4.969 1.00 0.00 H new ATOM 0 HD13 ILE A 12 9.719 -1.154 4.791 1.00 0.00 H new ATOM 242 N PRO A 13 4.508 0.258 3.936 1.00 0.00 N ATOM 243 CA PRO A 13 3.828 1.580 3.798 1.00 0.00 C ATOM 244 C PRO A 13 2.559 1.587 2.871 1.00 0.00 C ATOM 245 O PRO A 13 1.506 1.038 3.201 1.00 0.00 O ATOM 246 CB PRO A 13 3.563 1.912 5.283 1.00 0.00 C ATOM 247 CG PRO A 13 3.323 0.557 5.956 1.00 0.00 C ATOM 248 CD PRO A 13 4.299 -0.385 5.252 1.00 0.00 C ATOM 0 HA PRO A 13 4.419 2.332 3.274 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.412 2.429 5.729 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.698 2.566 5.393 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.517 0.604 7.028 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.291 0.227 5.833 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.233 -0.482 5.805 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.885 -1.388 5.148 1.00 0.00 H new ATOM 256 N PRO A 14 2.672 2.251 1.704 1.00 0.00 N ATOM 257 CA PRO A 14 1.501 2.497 0.821 1.00 0.00 C ATOM 258 C PRO A 14 0.814 1.252 0.161 1.00 0.00 C ATOM 259 O PRO A 14 -0.371 1.005 0.352 1.00 0.00 O ATOM 260 CB PRO A 14 2.100 3.513 -0.177 1.00 0.00 C ATOM 261 CG PRO A 14 3.610 3.239 -0.202 1.00 0.00 C ATOM 262 CD PRO A 14 3.945 2.820 1.231 1.00 0.00 C ATOM 0 HA PRO A 14 0.634 2.852 1.378 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.664 3.390 -1.169 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.894 4.536 0.137 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.859 2.453 -0.914 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.170 4.126 -0.498 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.752 2.088 1.261 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.261 3.668 1.838 1.00 0.00 H new