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= -0.0397 (180deg=-0.0397) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.433 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.476 0.407 0.274 1.00 0.00 N ATOM 2 CA ARG A 1 1.969 0.239 -1.082 1.00 0.00 C ATOM 3 C ARG A 1 3.085 -0.808 -1.116 1.00 0.00 C ATOM 4 O ARG A 1 3.554 -1.253 -0.070 1.00 0.00 O ATOM 5 CB ARG A 1 2.502 1.560 -1.641 1.00 0.00 C ATOM 6 CG ARG A 1 1.539 2.146 -2.675 1.00 0.00 C ATOM 7 CD ARG A 1 1.729 3.659 -2.806 1.00 0.00 C ATOM 8 NE ARG A 1 1.765 4.042 -4.236 1.00 0.00 N ATOM 9 CZ ARG A 1 2.753 3.710 -5.077 1.00 0.00 C ATOM 10 NH1 ARG A 1 3.792 2.986 -4.639 1.00 0.00 N ATOM 11 NH2 ARG A 1 2.703 4.101 -6.358 1.00 0.00 N ATOM 0 H3 ARG A 1 0.719 1.120 0.282 1.00 0.00 H new ATOM 0 HA ARG A 1 1.135 -0.094 -1.699 1.00 0.00 H new ATOM 0 HB2 ARG A 1 2.645 2.272 -0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.478 1.398 -2.099 1.00 0.00 H new ATOM 0 HG2 ARG A 1 1.704 1.670 -3.642 1.00 0.00 H new ATOM 0 HG3 ARG A 1 0.511 1.929 -2.384 1.00 0.00 H new ATOM 0 HD2 ARG A 1 0.916 4.181 -2.301 1.00 0.00 H new ATOM 0 HD3 ARG A 1 2.655 3.962 -2.316 1.00 0.00 H new ATOM 0 HE ARG A 1 0.989 4.593 -4.603 1.00 0.00 H new ATOM 0 HH11 ARG A 1 3.831 2.687 -3.664 1.00 0.00 H new ATOM 0 HH12 ARG A 1 4.544 2.734 -5.280 1.00 0.00 H new ATOM 0 HH21 ARG A 1 1.912 4.652 -6.693 1.00 0.00 H new ATOM 0 HH22 ARG A 1 3.456 3.848 -6.998 1.00 0.00 H new ATOM 25 N VAL A 2 3.477 -1.169 -2.329 1.00 0.00 N ATOM 26 CA VAL A 2 4.528 -2.155 -2.513 1.00 0.00 C ATOM 27 C VAL A 2 5.528 -1.641 -3.550 1.00 0.00 C ATOM 28 O VAL A 2 5.222 -1.593 -4.741 1.00 0.00 O ATOM 29 CB VAL A 2 3.918 -3.507 -2.888 1.00 0.00 C ATOM 30 CG1 VAL A 2 3.457 -3.514 -4.348 1.00 0.00 C ATOM 31 CG2 VAL A 2 4.902 -4.647 -2.619 1.00 0.00 C ATOM 0 H VAL A 2 3.086 -0.796 -3.194 1.00 0.00 H new ATOM 0 HA VAL A 2 5.075 -2.308 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 2 3.042 -3.665 -2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.027 -4.486 -4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.706 -2.738 -4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.309 -3.322 -5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.443 -5.596 -2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.805 -4.495 -3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.160 -4.662 -1.560 1.00 0.00 H new ATOM 41 N ARG A 3 6.702 -1.270 -3.061 1.00 0.00 N ATOM 42 CA ARG A 3 7.748 -0.761 -3.932 1.00 0.00 C ATOM 43 C ARG A 3 8.784 -1.852 -4.210 1.00 0.00 C ATOM 44 O ARG A 3 8.534 -3.029 -3.955 1.00 0.00 O ATOM 45 CB ARG A 3 8.446 0.447 -3.305 1.00 0.00 C ATOM 46 CG ARG A 3 8.259 1.697 -4.167 1.00 0.00 C ATOM 47 CD ARG A 3 9.565 2.086 -4.862 1.00 0.00 C ATOM 48 NE ARG A 3 9.606 3.548 -5.084 1.00 0.00 N ATOM 49 CZ ARG A 3 10.685 4.213 -5.516 1.00 0.00 C ATOM 50 NH1 ARG A 3 11.821 3.550 -5.775 1.00 0.00 N ATOM 51 NH2 ARG A 3 10.631 5.540 -5.688 1.00 0.00 N ATOM 0 H ARG A 3 6.952 -1.312 -2.073 1.00 0.00 H new ATOM 0 HA ARG A 3 7.281 -0.452 -4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.045 0.626 -2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.509 0.237 -3.188 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.486 1.515 -4.914 1.00 0.00 H new ATOM 0 HG3 ARG A 3 7.914 2.523 -3.545 1.00 0.00 H new ATOM 0 HD2 ARG A 3 10.416 1.779 -4.254 1.00 0.00 H new ATOM 0 HD3 ARG A 3 9.649 1.563 -5.815 1.00 0.00 H new ATOM 0 HE ARG A 3 8.758 4.084 -4.896 1.00 0.00 H new ATOM 0 HH11 ARG A 3 11.863 2.539 -5.643 1.00 0.00 H new ATOM 0 HH12 ARG A 3 12.643 4.056 -6.104 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.767 6.045 -5.490 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.454 6.045 -6.017 1.00 0.00 H new ATOM 65 N THR A 4 9.924 -1.422 -4.729 1.00 0.00 N ATOM 66 CA THR A 4 10.999 -2.348 -5.046 1.00 0.00 C ATOM 67 C THR A 4 12.356 -1.720 -4.720 1.00 0.00 C ATOM 68 O THR A 4 12.572 -0.535 -4.970 1.00 0.00 O ATOM 69 CB THR A 4 10.854 -2.757 -6.512 1.00 0.00 C ATOM 70 OG1 THR A 4 9.446 -2.824 -6.717 1.00 0.00 O ATOM 71 CG2 THR A 4 11.338 -4.185 -6.772 1.00 0.00 C ATOM 0 H THR A 4 10.127 -0.445 -4.938 1.00 0.00 H new ATOM 0 HA THR A 4 10.938 -3.249 -4.436 1.00 0.00 H new ATOM 0 HB THR A 4 11.415 -2.064 -7.139 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.262 -3.082 -7.644 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.213 -4.425 -7.828 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.391 -4.267 -6.504 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.755 -4.882 -6.170 1.00 0.00 H new ATOM 79 N ARG A 5 13.235 -2.543 -4.168 1.00 0.00 N ATOM 80 CA ARG A 5 14.566 -2.084 -3.807 1.00 0.00 C ATOM 81 C ARG A 5 15.589 -3.202 -4.018 1.00 0.00 C ATOM 82 O ARG A 5 15.238 -4.380 -3.998 1.00 0.00 O ATOM 83 CB ARG A 5 14.612 -1.628 -2.348 1.00 0.00 C ATOM 84 CG ARG A 5 15.967 -1.001 -2.013 1.00 0.00 C ATOM 85 CD ARG A 5 16.001 -0.510 -0.563 1.00 0.00 C ATOM 86 NE ARG A 5 16.247 0.949 -0.529 1.00 0.00 N ATOM 87 CZ ARG A 5 15.285 1.875 -0.640 1.00 0.00 C ATOM 88 NH1 ARG A 5 14.007 1.499 -0.794 1.00 0.00 N ATOM 89 NH2 ARG A 5 15.599 3.177 -0.597 1.00 0.00 N ATOM 0 H ARG A 5 13.052 -3.525 -3.962 1.00 0.00 H new ATOM 0 HA ARG A 5 14.811 -1.238 -4.449 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.817 -0.905 -2.164 1.00 0.00 H new ATOM 0 HB3 ARG A 5 14.428 -2.478 -1.691 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.759 -1.732 -2.172 1.00 0.00 H new ATOM 0 HG3 ARG A 5 16.163 -0.168 -2.688 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.056 -0.740 -0.070 1.00 0.00 H new ATOM 0 HD3 ARG A 5 16.783 -1.032 -0.012 1.00 0.00 H new ATOM 0 HE ARG A 5 17.208 1.269 -0.414 1.00 0.00 H new ATOM 0 HH11 ARG A 5 13.767 0.508 -0.827 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.275 2.204 -0.878 1.00 0.00 H new ATOM 0 HH21 ARG A 5 16.571 3.464 -0.480 1.00 0.00 H new ATOM 0 HH22 ARG A 5 14.866 3.881 -0.682 1.00 0.00 H new ATOM 103 N LYS A 6 16.833 -2.792 -4.215 1.00 0.00 N ATOM 104 CA LYS A 6 17.909 -3.744 -4.430 1.00 0.00 C ATOM 105 C LYS A 6 17.464 -4.788 -5.456 1.00 0.00 C ATOM 106 O LYS A 6 17.810 -5.962 -5.342 1.00 0.00 O ATOM 107 CB LYS A 6 18.366 -4.346 -3.099 1.00 0.00 C ATOM 108 CG LYS A 6 19.639 -3.664 -2.595 1.00 0.00 C ATOM 109 CD LYS A 6 19.319 -2.653 -1.492 1.00 0.00 C ATOM 110 CE LYS A 6 20.271 -2.818 -0.305 1.00 0.00 C ATOM 111 NZ LYS A 6 21.559 -2.142 -0.577 1.00 0.00 N ATOM 0 H LYS A 6 17.120 -1.813 -4.230 1.00 0.00 H new ATOM 0 HA LYS A 6 18.784 -3.242 -4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 6 17.574 -4.240 -2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 6 18.546 -5.414 -3.222 1.00 0.00 H new ATOM 0 HG2 LYS A 6 20.332 -4.415 -2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 6 20.138 -3.159 -3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 6 19.397 -1.640 -1.888 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.290 -2.786 -1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.817 -2.401 0.594 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.443 -3.877 -0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 22.194 -2.263 0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.998 -2.559 -1.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 21.392 -1.128 -0.738 1.00 0.00 H new ATOM 125 N GLY A 7 16.705 -4.320 -6.436 1.00 0.00 N ATOM 126 CA GLY A 7 16.210 -5.198 -7.482 1.00 0.00 C ATOM 127 C GLY A 7 15.375 -6.337 -6.893 1.00 0.00 C ATOM 128 O GLY A 7 15.353 -7.441 -7.434 1.00 0.00 O ATOM 0 H GLY A 7 16.421 -3.345 -6.528 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.606 -4.626 -8.186 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.049 -5.610 -8.043 1.00 0.00 H new ATOM 132 N ARG A 8 14.705 -6.028 -5.792 1.00 0.00 N ATOM 133 CA ARG A 8 13.870 -7.011 -5.123 1.00 0.00 C ATOM 134 C ARG A 8 12.545 -6.378 -4.696 1.00 0.00 C ATOM 135 O ARG A 8 12.433 -5.157 -4.615 1.00 0.00 O ATOM 136 CB ARG A 8 14.574 -7.585 -3.892 1.00 0.00 C ATOM 137 CG ARG A 8 15.834 -8.356 -4.290 1.00 0.00 C ATOM 138 CD ARG A 8 16.461 -9.047 -3.078 1.00 0.00 C ATOM 139 NE ARG A 8 16.947 -10.393 -3.457 1.00 0.00 N ATOM 140 CZ ARG A 8 18.088 -10.619 -4.123 1.00 0.00 C ATOM 141 NH1 ARG A 8 18.867 -9.592 -4.486 1.00 0.00 N ATOM 142 NH2 ARG A 8 18.449 -11.874 -4.423 1.00 0.00 N ATOM 0 H ARG A 8 14.724 -5.111 -5.347 1.00 0.00 H new ATOM 0 HA ARG A 8 13.679 -7.820 -5.828 1.00 0.00 H new ATOM 0 HB2 ARG A 8 14.838 -6.777 -3.210 1.00 0.00 H new ATOM 0 HB3 ARG A 8 13.894 -8.246 -3.355 1.00 0.00 H new ATOM 0 HG2 ARG A 8 15.586 -9.099 -5.048 1.00 0.00 H new ATOM 0 HG3 ARG A 8 16.556 -7.673 -4.737 1.00 0.00 H new ATOM 0 HD2 ARG A 8 17.287 -8.448 -2.695 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.727 -9.129 -2.276 1.00 0.00 H new ATOM 0 HE ARG A 8 16.378 -11.198 -3.195 1.00 0.00 H new ATOM 0 HH11 ARG A 8 18.592 -8.637 -4.256 1.00 0.00 H new ATOM 0 HH12 ARG A 8 19.735 -9.765 -4.993 1.00 0.00 H new ATOM 0 HH21 ARG A 8 17.856 -12.656 -4.145 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.317 -12.048 -4.930 1.00 0.00 H new ATOM 156 N ARG A 9 11.573 -7.239 -4.432 1.00 0.00 N ATOM 157 CA ARG A 9 10.259 -6.780 -4.014 1.00 0.00 C ATOM 158 C ARG A 9 10.174 -6.730 -2.487 1.00 0.00 C ATOM 159 O ARG A 9 10.602 -7.662 -1.807 1.00 0.00 O ATOM 160 CB ARG A 9 9.158 -7.700 -4.548 1.00 0.00 C ATOM 161 CG ARG A 9 7.819 -7.402 -3.872 1.00 0.00 C ATOM 162 CD ARG A 9 7.702 -8.143 -2.538 1.00 0.00 C ATOM 163 NE ARG A 9 6.419 -8.880 -2.479 1.00 0.00 N ATOM 164 CZ ARG A 9 6.040 -9.647 -1.448 1.00 0.00 C ATOM 165 NH1 ARG A 9 6.843 -9.783 -0.384 1.00 0.00 N ATOM 166 NH2 ARG A 9 4.859 -10.278 -1.481 1.00 0.00 N ATOM 0 H ARG A 9 11.669 -8.252 -4.499 1.00 0.00 H new ATOM 0 HA ARG A 9 10.113 -5.780 -4.423 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.062 -7.570 -5.626 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.433 -8.740 -4.375 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.722 -6.329 -3.706 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.002 -7.698 -4.530 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.535 -8.837 -2.424 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.762 -7.434 -1.712 1.00 0.00 H new ATOM 0 HE ARG A 9 5.784 -8.799 -3.273 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.742 -9.303 -0.359 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.555 -10.367 0.401 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.248 -10.175 -2.291 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.571 -10.862 -0.696 1.00 0.00 H new ATOM 180 N ILE A 10 9.622 -5.632 -1.993 1.00 0.00 N ATOM 181 CA ILE A 10 9.476 -5.448 -0.559 1.00 0.00 C ATOM 182 C ILE A 10 8.114 -4.817 -0.266 1.00 0.00 C ATOM 183 O ILE A 10 7.458 -4.299 -1.169 1.00 0.00 O ATOM 184 CB ILE A 10 10.657 -4.651 0.001 1.00 0.00 C ATOM 185 CG1 ILE A 10 11.949 -4.992 -0.742 1.00 0.00 C ATOM 186 CG2 ILE A 10 10.791 -4.858 1.511 1.00 0.00 C ATOM 187 CD1 ILE A 10 12.411 -6.414 -0.415 1.00 0.00 C ATOM 0 H ILE A 10 9.270 -4.861 -2.560 1.00 0.00 H new ATOM 0 HA ILE A 10 9.498 -6.410 -0.047 1.00 0.00 H new ATOM 0 HB ILE A 10 10.463 -3.591 -0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.791 -4.895 -1.816 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.728 -4.281 -0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.637 -4.281 1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.879 -4.525 2.006 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.953 -5.915 1.720 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.332 -6.631 -0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.591 -6.501 0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.640 -7.125 -0.712 1.00 0.00 H new ATOM 199 N ARG A 11 7.728 -4.880 1.000 1.00 0.00 N ATOM 200 CA ARG A 11 6.455 -4.321 1.424 1.00 0.00 C ATOM 201 C ARG A 11 6.683 -3.074 2.281 1.00 0.00 C ATOM 202 O ARG A 11 7.543 -3.069 3.160 1.00 0.00 O ATOM 203 CB ARG A 11 5.644 -5.342 2.224 1.00 0.00 C ATOM 204 CG ARG A 11 4.145 -5.160 1.985 1.00 0.00 C ATOM 205 CD ARG A 11 3.369 -6.415 2.390 1.00 0.00 C ATOM 206 NE ARG A 11 2.210 -6.043 3.232 1.00 0.00 N ATOM 207 CZ ARG A 11 2.305 -5.636 4.504 1.00 0.00 C ATOM 208 NH1 ARG A 11 3.506 -5.544 5.090 1.00 0.00 N ATOM 209 NH2 ARG A 11 1.198 -5.319 5.192 1.00 0.00 N ATOM 0 H ARG A 11 8.275 -5.310 1.746 1.00 0.00 H new ATOM 0 HA ARG A 11 5.895 -4.053 0.528 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.941 -6.351 1.939 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.862 -5.233 3.286 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.783 -4.305 2.556 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.965 -4.940 0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.028 -6.945 1.500 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.022 -7.096 2.936 1.00 0.00 H new ATOM 0 HE ARG A 11 1.280 -6.100 2.817 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.348 -5.784 4.567 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.578 -5.234 6.059 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.283 -5.388 4.746 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.271 -5.009 6.161 1.00 0.00 H new ATOM 223 N ILE A 12 5.896 -2.047 1.995 1.00 0.00 N ATOM 224 CA ILE A 12 6.000 -0.798 2.728 1.00 0.00 C ATOM 225 C ILE A 12 4.599 -0.222 2.949 1.00 0.00 C ATOM 226 O ILE A 12 4.073 0.603 2.202 1.00 0.00 O ATOM 227 CB ILE A 12 6.954 0.164 2.016 1.00 0.00 C ATOM 228 CG1 ILE A 12 7.436 -0.425 0.689 1.00 0.00 C ATOM 229 CG2 ILE A 12 8.119 0.555 2.928 1.00 0.00 C ATOM 230 CD1 ILE A 12 8.524 -1.476 0.919 1.00 0.00 C ATOM 0 H ILE A 12 5.183 -2.055 1.265 1.00 0.00 H new ATOM 0 HA ILE A 12 6.434 -0.970 3.713 1.00 0.00 H new ATOM 0 HB ILE A 12 6.408 1.078 1.782 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.596 -0.876 0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.823 0.371 0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.782 1.239 2.398 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.733 1.044 3.822 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.673 -0.339 3.214 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.849 -1.879 -0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 12 9.372 -1.016 1.426 1.00 0.00 H new ATOM 0 HD13 ILE A 12 8.126 -2.282 1.535 1.00 0.00 H new ATOM 242 N PRO A 13 3.953 -0.691 4.050 1.00 0.00 N ATOM 243 CA PRO A 13 2.653 -0.121 4.516 1.00 0.00 C ATOM 244 C PRO A 13 1.535 -0.011 3.417 1.00 0.00 C ATOM 245 O PRO A 13 0.874 -0.987 3.058 1.00 0.00 O ATOM 246 CB PRO A 13 2.337 -1.076 5.688 1.00 0.00 C ATOM 247 CG PRO A 13 2.915 -2.429 5.265 1.00 0.00 C ATOM 248 CD PRO A 13 4.204 -2.068 4.528 1.00 0.00 C ATOM 0 HA PRO A 13 2.705 0.930 4.801 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.790 -0.726 6.615 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.263 -1.143 5.864 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.113 -3.065 6.128 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.225 -2.973 4.620 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.070 -2.112 5.188 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.399 -2.751 3.701 1.00 0.00 H new ATOM 256 N PRO A 14 1.319 1.216 2.902 1.00 0.00 N ATOM 257 CA PRO A 14 0.173 1.499 1.998 1.00 0.00 C ATOM 258 C PRO A 14 0.245 0.936 0.537 1.00 0.00 C ATOM 259 O PRO A 14 -0.514 1.337 -0.338 1.00 0.00 O ATOM 260 CB PRO A 14 0.099 3.039 2.097 1.00 0.00 C ATOM 261 CG PRO A 14 1.517 3.506 2.452 1.00 0.00 C ATOM 262 CD PRO A 14 2.070 2.399 3.354 1.00 0.00 C ATOM 0 HA PRO A 14 -0.731 0.973 2.304 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.232 3.476 1.155 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.616 3.348 2.859 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.129 3.633 1.559 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.501 4.467 2.967 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.145 2.271 3.227 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.897 2.611 4.409 1.00 0.00 H new