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= -0.0211 (180deg=-0.0211) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.707 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.606 0.128 -0.022 1.00 0.00 N ATOM 2 CA ARG A 1 2.075 -0.200 -1.357 1.00 0.00 C ATOM 3 C ARG A 1 3.290 -1.128 -1.279 1.00 0.00 C ATOM 4 O ARG A 1 3.943 -1.216 -0.240 1.00 0.00 O ATOM 5 CB ARG A 1 2.455 1.062 -2.134 1.00 0.00 C ATOM 6 CG ARG A 1 3.791 1.626 -1.645 1.00 0.00 C ATOM 7 CD ARG A 1 4.111 2.953 -2.335 1.00 0.00 C ATOM 8 NE ARG A 1 4.631 2.703 -3.697 1.00 0.00 N ATOM 9 CZ ARG A 1 5.304 3.606 -4.423 1.00 0.00 C ATOM 10 NH1 ARG A 1 5.544 4.825 -3.920 1.00 0.00 N ATOM 11 NH2 ARG A 1 5.738 3.291 -5.651 1.00 0.00 N ATOM 0 H3 ARG A 1 0.781 0.758 -0.089 1.00 0.00 H new ATOM 0 HA ARG A 1 1.261 -0.703 -1.880 1.00 0.00 H new ATOM 0 HB2 ARG A 1 2.521 0.833 -3.198 1.00 0.00 H new ATOM 0 HB3 ARG A 1 1.674 1.814 -2.018 1.00 0.00 H new ATOM 0 HG2 ARG A 1 3.755 1.773 -0.566 1.00 0.00 H new ATOM 0 HG3 ARG A 1 4.587 0.908 -1.842 1.00 0.00 H new ATOM 0 HD2 ARG A 1 3.214 3.571 -2.387 1.00 0.00 H new ATOM 0 HD3 ARG A 1 4.847 3.507 -1.752 1.00 0.00 H new ATOM 0 HE ARG A 1 4.467 1.785 -4.110 1.00 0.00 H new ATOM 0 HH11 ARG A 1 5.214 5.065 -2.985 1.00 0.00 H new ATOM 0 HH12 ARG A 1 6.056 5.513 -4.472 1.00 0.00 H new ATOM 0 HH21 ARG A 1 5.556 2.363 -6.034 1.00 0.00 H new ATOM 0 HH22 ARG A 1 6.250 3.979 -6.203 1.00 0.00 H new ATOM 25 N VAL A 2 3.557 -1.795 -2.392 1.00 0.00 N ATOM 26 CA VAL A 2 4.682 -2.712 -2.464 1.00 0.00 C ATOM 27 C VAL A 2 5.787 -2.091 -3.320 1.00 0.00 C ATOM 28 O VAL A 2 5.789 -2.241 -4.541 1.00 0.00 O ATOM 29 CB VAL A 2 4.216 -4.073 -2.984 1.00 0.00 C ATOM 30 CG1 VAL A 2 3.386 -3.918 -4.260 1.00 0.00 C ATOM 31 CG2 VAL A 2 5.404 -5.009 -3.212 1.00 0.00 C ATOM 0 H VAL A 2 3.013 -1.719 -3.252 1.00 0.00 H new ATOM 0 HA VAL A 2 5.098 -2.884 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 2 3.578 -4.522 -2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.067 -4.900 -4.608 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.509 -3.305 -4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.989 -3.438 -5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.045 -5.969 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.079 -4.568 -3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.936 -5.158 -2.272 1.00 0.00 H new ATOM 41 N ARG A 3 6.701 -1.409 -2.646 1.00 0.00 N ATOM 42 CA ARG A 3 7.809 -0.765 -3.331 1.00 0.00 C ATOM 43 C ARG A 3 8.806 -1.812 -3.831 1.00 0.00 C ATOM 44 O ARG A 3 8.524 -3.010 -3.795 1.00 0.00 O ATOM 45 CB ARG A 3 8.532 0.217 -2.406 1.00 0.00 C ATOM 46 CG ARG A 3 8.157 1.662 -2.739 1.00 0.00 C ATOM 47 CD ARG A 3 9.200 2.639 -2.193 1.00 0.00 C ATOM 48 NE ARG A 3 9.322 2.480 -0.726 1.00 0.00 N ATOM 49 CZ ARG A 3 9.783 3.432 0.096 1.00 0.00 C ATOM 50 NH1 ARG A 3 10.169 4.617 -0.398 1.00 0.00 N ATOM 51 NH2 ARG A 3 9.859 3.200 1.414 1.00 0.00 N ATOM 0 H ARG A 3 6.697 -1.288 -1.633 1.00 0.00 H new ATOM 0 HA ARG A 3 7.400 -0.215 -4.178 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.276 0.001 -1.369 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.610 0.086 -2.502 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.073 1.780 -3.819 1.00 0.00 H new ATOM 0 HG3 ARG A 3 7.179 1.894 -2.316 1.00 0.00 H new ATOM 0 HD2 ARG A 3 10.164 2.458 -2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.913 3.663 -2.434 1.00 0.00 H new ATOM 0 HE ARG A 3 9.037 1.591 -0.316 1.00 0.00 H new ATOM 0 HH11 ARG A 3 10.112 4.795 -1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.520 5.341 0.229 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.566 2.299 1.791 1.00 0.00 H new ATOM 0 HH22 ARG A 3 10.210 3.925 2.040 1.00 0.00 H new ATOM 65 N THR A 4 9.950 -1.325 -4.285 1.00 0.00 N ATOM 66 CA THR A 4 10.990 -2.205 -4.792 1.00 0.00 C ATOM 67 C THR A 4 12.373 -1.636 -4.471 1.00 0.00 C ATOM 68 O THR A 4 12.590 -0.428 -4.570 1.00 0.00 O ATOM 69 CB THR A 4 10.749 -2.409 -6.289 1.00 0.00 C ATOM 70 OG1 THR A 4 9.330 -2.449 -6.410 1.00 0.00 O ATOM 71 CG2 THR A 4 11.204 -3.787 -6.773 1.00 0.00 C ATOM 0 H THR A 4 10.181 -0.332 -4.313 1.00 0.00 H new ATOM 0 HA THR A 4 10.954 -3.180 -4.307 1.00 0.00 H new ATOM 0 HB THR A 4 11.275 -1.636 -6.850 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.085 -2.577 -7.350 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.010 -3.880 -7.842 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.271 -3.904 -6.586 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.655 -4.561 -6.236 1.00 0.00 H new ATOM 79 N ARG A 5 13.274 -2.531 -4.094 1.00 0.00 N ATOM 80 CA ARG A 5 14.630 -2.133 -3.758 1.00 0.00 C ATOM 81 C ARG A 5 15.608 -3.270 -4.063 1.00 0.00 C ATOM 82 O ARG A 5 15.217 -4.436 -4.104 1.00 0.00 O ATOM 83 CB ARG A 5 14.744 -1.754 -2.281 1.00 0.00 C ATOM 84 CG ARG A 5 14.349 -0.292 -2.057 1.00 0.00 C ATOM 85 CD ARG A 5 13.072 -0.191 -1.221 1.00 0.00 C ATOM 86 NE ARG A 5 13.361 0.486 0.063 1.00 0.00 N ATOM 87 CZ ARG A 5 13.934 -0.112 1.115 1.00 0.00 C ATOM 88 NH1 ARG A 5 14.284 -1.404 1.043 1.00 0.00 N ATOM 89 NH2 ARG A 5 14.158 0.581 2.241 1.00 0.00 N ATOM 0 H ARG A 5 13.091 -3.531 -4.014 1.00 0.00 H new ATOM 0 HA ARG A 5 14.879 -1.262 -4.364 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.102 -2.403 -1.685 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.766 -1.915 -1.939 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.160 0.234 -1.554 1.00 0.00 H new ATOM 0 HG3 ARG A 5 14.198 0.199 -3.018 1.00 0.00 H new ATOM 0 HD2 ARG A 5 12.311 0.363 -1.770 1.00 0.00 H new ATOM 0 HD3 ARG A 5 12.670 -1.187 -1.034 1.00 0.00 H new ATOM 0 HE ARG A 5 13.108 1.470 0.152 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.114 -1.932 0.187 1.00 0.00 H new ATOM 0 HH12 ARG A 5 14.721 -1.860 1.844 1.00 0.00 H new ATOM 0 HH21 ARG A 5 13.892 1.564 2.296 1.00 0.00 H new ATOM 0 HH22 ARG A 5 14.595 0.125 3.042 1.00 0.00 H new ATOM 103 N LYS A 6 16.861 -2.891 -4.267 1.00 0.00 N ATOM 104 CA LYS A 6 17.897 -3.865 -4.567 1.00 0.00 C ATOM 105 C LYS A 6 17.387 -4.835 -5.634 1.00 0.00 C ATOM 106 O LYS A 6 17.658 -6.033 -5.569 1.00 0.00 O ATOM 107 CB LYS A 6 18.371 -4.554 -3.284 1.00 0.00 C ATOM 108 CG LYS A 6 17.238 -5.358 -2.644 1.00 0.00 C ATOM 109 CD LYS A 6 17.764 -6.240 -1.510 1.00 0.00 C ATOM 110 CE LYS A 6 16.816 -6.216 -0.311 1.00 0.00 C ATOM 111 NZ LYS A 6 16.973 -7.445 0.500 1.00 0.00 N ATOM 0 H LYS A 6 17.182 -1.924 -4.231 1.00 0.00 H new ATOM 0 HA LYS A 6 18.776 -3.371 -4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 6 19.208 -5.214 -3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 6 18.735 -3.807 -2.579 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.478 -4.678 -2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.757 -5.979 -3.399 1.00 0.00 H new ATOM 0 HD2 LYS A 6 17.881 -7.264 -1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.751 -5.894 -1.204 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.020 -5.339 0.304 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.786 -6.130 -0.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.322 -7.412 1.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.756 -8.277 -0.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.952 -7.510 0.845 1.00 0.00 H new ATOM 125 N GLY A 7 16.658 -4.281 -6.591 1.00 0.00 N ATOM 126 CA GLY A 7 16.108 -5.083 -7.672 1.00 0.00 C ATOM 127 C GLY A 7 15.210 -6.195 -7.126 1.00 0.00 C ATOM 128 O GLY A 7 15.124 -7.272 -7.715 1.00 0.00 O ATOM 0 H GLY A 7 16.435 -3.287 -6.641 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.536 -4.447 -8.347 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.919 -5.519 -8.256 1.00 0.00 H new ATOM 132 N ARG A 8 14.565 -5.896 -6.008 1.00 0.00 N ATOM 133 CA ARG A 8 13.677 -6.858 -5.377 1.00 0.00 C ATOM 134 C ARG A 8 12.409 -6.162 -4.879 1.00 0.00 C ATOM 135 O ARG A 8 12.376 -4.938 -4.754 1.00 0.00 O ATOM 136 CB ARG A 8 14.365 -7.553 -4.200 1.00 0.00 C ATOM 137 CG ARG A 8 15.517 -8.437 -4.684 1.00 0.00 C ATOM 138 CD ARG A 8 15.036 -9.862 -4.961 1.00 0.00 C ATOM 139 NE ARG A 8 16.095 -10.628 -5.657 1.00 0.00 N ATOM 140 CZ ARG A 8 15.884 -11.778 -6.312 1.00 0.00 C ATOM 141 NH1 ARG A 8 14.652 -12.302 -6.364 1.00 0.00 N ATOM 142 NH2 ARG A 8 16.904 -12.403 -6.914 1.00 0.00 N ATOM 0 H ARG A 8 14.639 -5.002 -5.523 1.00 0.00 H new ATOM 0 HA ARG A 8 13.415 -7.607 -6.124 1.00 0.00 H new ATOM 0 HB2 ARG A 8 14.743 -6.806 -3.502 1.00 0.00 H new ATOM 0 HB3 ARG A 8 13.640 -8.159 -3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 8 15.950 -8.013 -5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 8 16.306 -8.456 -3.933 1.00 0.00 H new ATOM 0 HD2 ARG A 8 14.775 -10.355 -4.025 1.00 0.00 H new ATOM 0 HD3 ARG A 8 14.133 -9.838 -5.571 1.00 0.00 H new ATOM 0 HE ARG A 8 17.045 -10.257 -5.637 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.875 -11.826 -5.905 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.491 -13.177 -6.862 1.00 0.00 H new ATOM 0 HH21 ARG A 8 17.842 -12.004 -6.874 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.743 -13.278 -7.412 1.00 0.00 H new ATOM 156 N ARG A 9 11.397 -6.971 -4.606 1.00 0.00 N ATOM 157 CA ARG A 9 10.129 -6.448 -4.124 1.00 0.00 C ATOM 158 C ARG A 9 10.081 -6.501 -2.595 1.00 0.00 C ATOM 159 O ARG A 9 10.508 -7.483 -1.990 1.00 0.00 O ATOM 160 CB ARG A 9 8.953 -7.245 -4.692 1.00 0.00 C ATOM 161 CG ARG A 9 7.646 -6.865 -3.994 1.00 0.00 C ATOM 162 CD ARG A 9 7.294 -7.875 -2.901 1.00 0.00 C ATOM 163 NE ARG A 9 6.915 -9.170 -3.510 1.00 0.00 N ATOM 164 CZ ARG A 9 5.787 -9.371 -4.204 1.00 0.00 C ATOM 165 NH1 ARG A 9 4.920 -8.365 -4.381 1.00 0.00 N ATOM 166 NH2 ARG A 9 5.525 -10.579 -4.722 1.00 0.00 N ATOM 0 H ARG A 9 11.428 -7.985 -4.709 1.00 0.00 H new ATOM 0 HA ARG A 9 10.047 -5.414 -4.459 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.866 -7.058 -5.762 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.139 -8.312 -4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.738 -5.870 -3.559 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.839 -6.819 -4.725 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.145 -8.013 -2.234 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.472 -7.495 -2.294 1.00 0.00 H new ATOM 0 HE ARG A 9 7.552 -9.958 -3.394 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.119 -7.445 -3.987 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.061 -8.519 -4.910 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.185 -11.345 -4.588 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.666 -10.732 -5.250 1.00 0.00 H new ATOM 180 N ILE A 10 9.556 -5.431 -2.014 1.00 0.00 N ATOM 181 CA ILE A 10 9.446 -5.343 -0.569 1.00 0.00 C ATOM 182 C ILE A 10 8.093 -4.731 -0.200 1.00 0.00 C ATOM 183 O ILE A 10 7.430 -4.130 -1.044 1.00 0.00 O ATOM 184 CB ILE A 10 10.642 -4.587 0.014 1.00 0.00 C ATOM 185 CG1 ILE A 10 11.902 -4.828 -0.820 1.00 0.00 C ATOM 186 CG2 ILE A 10 10.852 -4.945 1.487 1.00 0.00 C ATOM 187 CD1 ILE A 10 12.389 -6.271 -0.674 1.00 0.00 C ATOM 0 H ILE A 10 9.203 -4.618 -2.519 1.00 0.00 H new ATOM 0 HA ILE A 10 9.478 -6.337 -0.124 1.00 0.00 H new ATOM 0 HB ILE A 10 10.426 -3.520 -0.030 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.694 -4.615 -1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.688 -4.142 -0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.708 -4.394 1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.961 -4.681 2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 10 11.037 -6.015 1.579 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.286 -6.415 -1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.619 -6.473 0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.610 -6.954 -1.013 1.00 0.00 H new ATOM 199 N ARG A 11 7.724 -4.907 1.060 1.00 0.00 N ATOM 200 CA ARG A 11 6.461 -4.379 1.550 1.00 0.00 C ATOM 201 C ARG A 11 6.711 -3.254 2.556 1.00 0.00 C ATOM 202 O ARG A 11 7.633 -3.334 3.365 1.00 0.00 O ATOM 203 CB ARG A 11 5.628 -5.476 2.217 1.00 0.00 C ATOM 204 CG ARG A 11 4.157 -5.064 2.313 1.00 0.00 C ATOM 205 CD ARG A 11 3.251 -6.117 1.672 1.00 0.00 C ATOM 206 NE ARG A 11 1.831 -5.777 1.917 1.00 0.00 N ATOM 207 CZ ARG A 11 0.798 -6.527 1.504 1.00 0.00 C ATOM 208 NH1 ARG A 11 1.021 -7.660 0.826 1.00 0.00 N ATOM 209 NH2 ARG A 11 -0.457 -6.141 1.771 1.00 0.00 N ATOM 0 H ARG A 11 8.276 -5.407 1.756 1.00 0.00 H new ATOM 0 HA ARG A 11 5.909 -3.989 0.694 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.714 -6.401 1.647 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.019 -5.679 3.214 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.881 -4.929 3.359 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.011 -4.104 1.818 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.442 -6.169 0.600 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.475 -7.101 2.084 1.00 0.00 H new ATOM 0 HE ARG A 11 1.625 -4.920 2.431 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.977 -7.953 0.623 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.235 -8.230 0.512 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.626 -5.278 2.288 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.243 -6.710 1.458 1.00 0.00 H new ATOM 223 N ILE A 12 5.872 -2.232 2.471 1.00 0.00 N ATOM 224 CA ILE A 12 5.991 -1.091 3.364 1.00 0.00 C ATOM 225 C ILE A 12 4.737 -0.223 3.245 1.00 0.00 C ATOM 226 O ILE A 12 4.561 0.605 2.351 1.00 0.00 O ATOM 227 CB ILE A 12 7.292 -0.333 3.097 1.00 0.00 C ATOM 228 CG1 ILE A 12 7.819 0.323 4.374 1.00 0.00 C ATOM 229 CG2 ILE A 12 7.113 0.680 1.964 1.00 0.00 C ATOM 230 CD1 ILE A 12 9.094 -0.368 4.861 1.00 0.00 C ATOM 0 H ILE A 12 5.108 -2.170 1.798 1.00 0.00 H new ATOM 0 HA ILE A 12 6.052 -1.424 4.400 1.00 0.00 H new ATOM 0 HB ILE A 12 8.044 -1.052 2.772 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.021 1.378 4.188 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.057 0.277 5.152 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.053 1.206 1.794 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.819 0.159 1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.340 1.398 2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.447 0.119 5.770 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.883 -1.417 5.069 1.00 0.00 H new ATOM 0 HD13 ILE A 12 9.862 -0.299 4.091 1.00 0.00 H new ATOM 242 N PRO A 13 3.802 -0.426 4.212 1.00 0.00 N ATOM 243 CA PRO A 13 2.596 0.444 4.353 1.00 0.00 C ATOM 244 C PRO A 13 1.568 0.362 3.168 1.00 0.00 C ATOM 245 O PRO A 13 0.935 -0.666 2.921 1.00 0.00 O ATOM 246 CB PRO A 13 2.068 -0.037 5.722 1.00 0.00 C ATOM 247 CG PRO A 13 2.429 -1.523 5.788 1.00 0.00 C ATOM 248 CD PRO A 13 3.794 -1.604 5.106 1.00 0.00 C ATOM 0 HA PRO A 13 2.809 1.512 4.310 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.529 0.517 6.539 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.991 0.111 5.804 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.476 -1.877 6.818 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.689 -2.136 5.274 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.608 -1.564 5.830 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.909 -2.533 4.547 1.00 0.00 H new ATOM 256 N PRO A 14 1.392 1.488 2.447 1.00 0.00 N ATOM 257 CA PRO A 14 0.321 1.608 1.423 1.00 0.00 C ATOM 258 C PRO A 14 0.374 0.631 0.198 1.00 0.00 C ATOM 259 O PRO A 14 -0.533 0.598 -0.626 1.00 0.00 O ATOM 260 CB PRO A 14 0.431 3.107 1.063 1.00 0.00 C ATOM 261 CG PRO A 14 1.883 3.505 1.363 1.00 0.00 C ATOM 262 CD PRO A 14 2.266 2.666 2.583 1.00 0.00 C ATOM 0 HA PRO A 14 -0.650 1.295 1.806 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.188 3.276 0.014 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.267 3.703 1.651 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.535 3.294 0.516 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.967 4.571 1.572 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.321 2.392 2.572 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.085 3.200 3.516 1.00 0.00 H new