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= -0.0292 (180deg=-0.0292) USER MOD Single : A 4 THR OG1 : rot -61:sc= 0.66 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.677 1.672 0.743 1.00 0.00 N ATOM 2 CA ARG A 1 3.608 1.608 -0.370 1.00 0.00 C ATOM 3 C ARG A 1 4.071 0.166 -0.593 1.00 0.00 C ATOM 4 O ARG A 1 4.306 -0.569 0.364 1.00 0.00 O ATOM 5 CB ARG A 1 4.830 2.494 -0.119 1.00 0.00 C ATOM 6 CG ARG A 1 5.188 3.301 -1.368 1.00 0.00 C ATOM 7 CD ARG A 1 5.142 4.804 -1.081 1.00 0.00 C ATOM 8 NE ARG A 1 3.914 5.138 -0.327 1.00 0.00 N ATOM 9 CZ ARG A 1 3.724 6.292 0.326 1.00 0.00 C ATOM 10 NH1 ARG A 1 4.681 7.230 0.321 1.00 0.00 N ATOM 11 NH2 ARG A 1 2.577 6.509 0.984 1.00 0.00 N ATOM 0 H3 ARG A 1 2.371 2.656 0.883 1.00 0.00 H new ATOM 0 HA ARG A 1 3.088 1.969 -1.257 1.00 0.00 H new ATOM 0 HB2 ARG A 1 4.628 3.172 0.711 1.00 0.00 H new ATOM 0 HB3 ARG A 1 5.678 1.875 0.174 1.00 0.00 H new ATOM 0 HG2 ARG A 1 6.184 3.023 -1.712 1.00 0.00 H new ATOM 0 HG3 ARG A 1 4.494 3.059 -2.173 1.00 0.00 H new ATOM 0 HD2 ARG A 1 6.021 5.100 -0.509 1.00 0.00 H new ATOM 0 HD3 ARG A 1 5.167 5.362 -2.017 1.00 0.00 H new ATOM 0 HE ARG A 1 3.165 4.446 -0.303 1.00 0.00 H new ATOM 0 HH11 ARG A 1 5.554 7.065 -0.180 1.00 0.00 H new ATOM 0 HH12 ARG A 1 4.536 8.109 0.818 1.00 0.00 H new ATOM 0 HH21 ARG A 1 1.848 5.795 0.988 1.00 0.00 H new ATOM 0 HH22 ARG A 1 2.433 7.388 1.481 1.00 0.00 H new ATOM 25 N VAL A 2 4.186 -0.195 -1.863 1.00 0.00 N ATOM 26 CA VAL A 2 4.616 -1.535 -2.225 1.00 0.00 C ATOM 27 C VAL A 2 5.270 -1.501 -3.607 1.00 0.00 C ATOM 28 O VAL A 2 4.594 -1.287 -4.612 1.00 0.00 O ATOM 29 CB VAL A 2 3.433 -2.502 -2.147 1.00 0.00 C ATOM 30 CG1 VAL A 2 3.819 -3.884 -2.678 1.00 0.00 C ATOM 31 CG2 VAL A 2 2.894 -2.595 -0.718 1.00 0.00 C ATOM 0 H VAL A 2 3.989 0.418 -2.654 1.00 0.00 H new ATOM 0 HA VAL A 2 5.364 -1.899 -1.521 1.00 0.00 H new ATOM 0 HB VAL A 2 2.637 -2.110 -2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 2 2.960 -4.552 -2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.133 -3.799 -3.718 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.639 -4.286 -2.083 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.054 -3.289 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.682 -2.952 -0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.562 -1.610 -0.389 1.00 0.00 H new ATOM 41 N ARG A 3 6.577 -1.714 -3.613 1.00 0.00 N ATOM 42 CA ARG A 3 7.330 -1.710 -4.857 1.00 0.00 C ATOM 43 C ARG A 3 8.611 -2.535 -4.704 1.00 0.00 C ATOM 44 O ARG A 3 8.747 -3.306 -3.755 1.00 0.00 O ATOM 45 CB ARG A 3 7.697 -0.285 -5.274 1.00 0.00 C ATOM 46 CG ARG A 3 7.507 -0.089 -6.779 1.00 0.00 C ATOM 47 CD ARG A 3 6.215 0.676 -7.074 1.00 0.00 C ATOM 48 NE ARG A 3 5.052 -0.232 -6.962 1.00 0.00 N ATOM 49 CZ ARG A 3 3.814 0.078 -7.371 1.00 0.00 C ATOM 50 NH1 ARG A 3 3.570 1.276 -7.921 1.00 0.00 N ATOM 51 NH2 ARG A 3 2.820 -0.808 -7.229 1.00 0.00 N ATOM 0 H ARG A 3 7.134 -1.890 -2.777 1.00 0.00 H new ATOM 0 HA ARG A 3 6.699 -2.151 -5.628 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.078 0.428 -4.730 1.00 0.00 H new ATOM 0 HB3 ARG A 3 8.733 -0.079 -5.005 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.358 0.456 -7.189 1.00 0.00 H new ATOM 0 HG3 ARG A 3 7.481 -1.059 -7.275 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.107 1.506 -6.376 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.257 1.105 -8.075 1.00 0.00 H new ATOM 0 HE ARG A 3 5.202 -1.152 -6.547 1.00 0.00 H new ATOM 0 HH11 ARG A 3 4.327 1.952 -8.028 1.00 0.00 H new ATOM 0 HH12 ARG A 3 2.628 1.512 -8.232 1.00 0.00 H new ATOM 0 HH21 ARG A 3 3.005 -1.719 -6.809 1.00 0.00 H new ATOM 0 HH22 ARG A 3 1.878 -0.572 -7.540 1.00 0.00 H new ATOM 65 N THR A 4 9.515 -2.345 -5.652 1.00 0.00 N ATOM 66 CA THR A 4 10.779 -3.060 -5.635 1.00 0.00 C ATOM 67 C THR A 4 11.932 -2.102 -5.326 1.00 0.00 C ATOM 68 O THR A 4 11.719 -0.901 -5.166 1.00 0.00 O ATOM 69 CB THR A 4 10.932 -3.782 -6.976 1.00 0.00 C ATOM 70 OG1 THR A 4 11.368 -5.091 -6.618 1.00 0.00 O ATOM 71 CG2 THR A 4 12.082 -3.223 -7.815 1.00 0.00 C ATOM 0 H THR A 4 9.397 -1.706 -6.438 1.00 0.00 H new ATOM 0 HA THR A 4 10.799 -3.808 -4.842 1.00 0.00 H new ATOM 0 HB THR A 4 10.001 -3.703 -7.538 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.229 -5.033 -6.154 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.146 -3.771 -8.755 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.903 -2.168 -8.021 1.00 0.00 H new ATOM 0 HG23 THR A 4 13.018 -3.332 -7.267 1.00 0.00 H new ATOM 79 N ARG A 5 13.127 -2.669 -5.253 1.00 0.00 N ATOM 80 CA ARG A 5 14.313 -1.880 -4.967 1.00 0.00 C ATOM 81 C ARG A 5 15.532 -2.792 -4.812 1.00 0.00 C ATOM 82 O ARG A 5 15.403 -3.941 -4.391 1.00 0.00 O ATOM 83 CB ARG A 5 14.132 -1.058 -3.689 1.00 0.00 C ATOM 84 CG ARG A 5 15.431 -0.343 -3.309 1.00 0.00 C ATOM 85 CD ARG A 5 15.163 0.786 -2.312 1.00 0.00 C ATOM 86 NE ARG A 5 15.369 0.302 -0.930 1.00 0.00 N ATOM 87 CZ ARG A 5 15.389 1.095 0.150 1.00 0.00 C ATOM 88 NH1 ARG A 5 15.215 2.417 0.012 1.00 0.00 N ATOM 89 NH2 ARG A 5 15.582 0.568 1.366 1.00 0.00 N ATOM 0 H ARG A 5 13.299 -3.665 -5.387 1.00 0.00 H new ATOM 0 HA ARG A 5 14.469 -1.199 -5.804 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.338 -0.325 -3.833 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.820 -1.711 -2.874 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.130 -1.058 -2.875 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.903 0.062 -4.204 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.828 1.626 -2.514 1.00 0.00 H new ATOM 0 HD3 ARG A 5 14.143 1.151 -2.430 1.00 0.00 H new ATOM 0 HE ARG A 5 15.504 -0.699 -0.790 1.00 0.00 H new ATOM 0 HH11 ARG A 5 15.068 2.818 -0.914 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.230 3.022 0.833 1.00 0.00 H new ATOM 0 HH21 ARG A 5 15.714 -0.438 1.471 1.00 0.00 H new ATOM 0 HH22 ARG A 5 15.597 1.173 2.187 1.00 0.00 H new ATOM 103 N LYS A 6 16.687 -2.244 -5.159 1.00 0.00 N ATOM 104 CA LYS A 6 17.929 -2.995 -5.063 1.00 0.00 C ATOM 105 C LYS A 6 17.715 -4.401 -5.623 1.00 0.00 C ATOM 106 O LYS A 6 18.259 -5.372 -5.100 1.00 0.00 O ATOM 107 CB LYS A 6 18.455 -2.978 -3.626 1.00 0.00 C ATOM 108 CG LYS A 6 17.665 -3.945 -2.742 1.00 0.00 C ATOM 109 CD LYS A 6 16.662 -3.192 -1.865 1.00 0.00 C ATOM 110 CE LYS A 6 16.312 -4.001 -0.614 1.00 0.00 C ATOM 111 NZ LYS A 6 17.251 -3.687 0.486 1.00 0.00 N ATOM 0 H LYS A 6 16.790 -1.291 -5.507 1.00 0.00 H new ATOM 0 HA LYS A 6 18.705 -2.526 -5.668 1.00 0.00 H new ATOM 0 HB2 LYS A 6 19.510 -3.251 -3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 6 18.384 -1.969 -3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.138 -4.666 -3.367 1.00 0.00 H new ATOM 0 HG3 LYS A 6 18.351 -4.511 -2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 6 17.080 -2.228 -1.574 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.756 -2.988 -2.436 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.291 -3.778 -0.303 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.351 -5.067 -0.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.999 -4.244 1.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.221 -3.922 0.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.194 -2.674 0.713 1.00 0.00 H new ATOM 125 N GLY A 7 16.920 -4.468 -6.682 1.00 0.00 N ATOM 126 CA GLY A 7 16.627 -5.740 -7.319 1.00 0.00 C ATOM 127 C GLY A 7 15.907 -6.683 -6.354 1.00 0.00 C ATOM 128 O GLY A 7 16.101 -7.897 -6.406 1.00 0.00 O ATOM 0 H GLY A 7 16.470 -3.661 -7.114 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.009 -5.575 -8.201 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.553 -6.202 -7.661 1.00 0.00 H new ATOM 132 N ARG A 8 15.090 -6.091 -5.496 1.00 0.00 N ATOM 133 CA ARG A 8 14.340 -6.863 -4.520 1.00 0.00 C ATOM 134 C ARG A 8 12.955 -6.249 -4.307 1.00 0.00 C ATOM 135 O ARG A 8 12.726 -5.090 -4.653 1.00 0.00 O ATOM 136 CB ARG A 8 15.077 -6.922 -3.181 1.00 0.00 C ATOM 137 CG ARG A 8 16.392 -7.691 -3.311 1.00 0.00 C ATOM 138 CD ARG A 8 17.021 -7.939 -1.938 1.00 0.00 C ATOM 139 NE ARG A 8 17.944 -9.094 -2.005 1.00 0.00 N ATOM 140 CZ ARG A 8 18.400 -9.755 -0.932 1.00 0.00 C ATOM 141 NH1 ARG A 8 18.020 -9.380 0.297 1.00 0.00 N ATOM 142 NH2 ARG A 8 19.235 -10.791 -1.089 1.00 0.00 N ATOM 0 H ARG A 8 14.931 -5.084 -5.456 1.00 0.00 H new ATOM 0 HA ARG A 8 14.235 -7.876 -4.908 1.00 0.00 H new ATOM 0 HB2 ARG A 8 15.277 -5.911 -2.827 1.00 0.00 H new ATOM 0 HB3 ARG A 8 14.444 -7.401 -2.434 1.00 0.00 H new ATOM 0 HG2 ARG A 8 16.213 -8.643 -3.810 1.00 0.00 H new ATOM 0 HG3 ARG A 8 17.086 -7.129 -3.936 1.00 0.00 H new ATOM 0 HD2 ARG A 8 17.561 -7.050 -1.610 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.241 -8.129 -1.200 1.00 0.00 H new ATOM 0 HE ARG A 8 18.252 -9.407 -2.926 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.384 -8.592 0.416 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.367 -9.883 1.114 1.00 0.00 H new ATOM 0 HH21 ARG A 8 19.523 -11.076 -2.025 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.582 -11.294 -0.273 1.00 0.00 H new ATOM 156 N ARG A 9 12.067 -7.051 -3.739 1.00 0.00 N ATOM 157 CA ARG A 9 10.711 -6.601 -3.476 1.00 0.00 C ATOM 158 C ARG A 9 10.500 -6.400 -1.974 1.00 0.00 C ATOM 159 O ARG A 9 10.978 -7.196 -1.165 1.00 0.00 O ATOM 160 CB ARG A 9 9.685 -7.608 -3.998 1.00 0.00 C ATOM 161 CG ARG A 9 8.261 -7.166 -3.657 1.00 0.00 C ATOM 162 CD ARG A 9 7.783 -7.810 -2.354 1.00 0.00 C ATOM 163 NE ARG A 9 7.383 -9.214 -2.601 1.00 0.00 N ATOM 164 CZ ARG A 9 8.177 -10.272 -2.383 1.00 0.00 C ATOM 165 NH1 ARG A 9 9.418 -10.090 -1.913 1.00 0.00 N ATOM 166 NH2 ARG A 9 7.729 -11.509 -2.635 1.00 0.00 N ATOM 0 H ARG A 9 12.260 -8.011 -3.453 1.00 0.00 H new ATOM 0 HA ARG A 9 10.570 -5.654 -3.996 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.789 -7.712 -5.078 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.879 -8.589 -3.564 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.226 -6.081 -3.564 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.588 -7.438 -4.470 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.577 -7.775 -1.609 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.941 -7.249 -1.949 1.00 0.00 H new ATOM 0 HE ARG A 9 6.444 -9.387 -2.960 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.758 -9.147 -1.721 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.023 -10.894 -1.747 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.784 -11.646 -2.993 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.333 -12.314 -2.469 1.00 0.00 H new ATOM 180 N ILE A 10 9.787 -5.333 -1.646 1.00 0.00 N ATOM 181 CA ILE A 10 9.507 -5.018 -0.255 1.00 0.00 C ATOM 182 C ILE A 10 8.072 -4.504 -0.131 1.00 0.00 C ATOM 183 O ILE A 10 7.579 -3.810 -1.020 1.00 0.00 O ATOM 184 CB ILE A 10 10.557 -4.052 0.296 1.00 0.00 C ATOM 185 CG1 ILE A 10 11.599 -3.707 -0.770 1.00 0.00 C ATOM 186 CG2 ILE A 10 11.200 -4.607 1.569 1.00 0.00 C ATOM 187 CD1 ILE A 10 10.979 -2.875 -1.894 1.00 0.00 C ATOM 0 H ILE A 10 9.394 -4.675 -2.320 1.00 0.00 H new ATOM 0 HA ILE A 10 9.578 -5.915 0.361 1.00 0.00 H new ATOM 0 HB ILE A 10 10.056 -3.123 0.568 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.421 -3.155 -0.315 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.021 -4.624 -1.182 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.943 -3.900 1.939 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.433 -4.758 2.328 1.00 0.00 H new ATOM 0 HG23 ILE A 10 11.683 -5.558 1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.741 -2.644 -2.638 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.173 -3.440 -2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 10 10.580 -1.948 -1.483 1.00 0.00 H new ATOM 199 N ARG A 11 7.442 -4.865 0.977 1.00 0.00 N ATOM 200 CA ARG A 11 6.072 -4.449 1.228 1.00 0.00 C ATOM 201 C ARG A 11 5.940 -3.888 2.645 1.00 0.00 C ATOM 202 O ARG A 11 6.506 -4.437 3.589 1.00 0.00 O ATOM 203 CB ARG A 11 5.101 -5.618 1.056 1.00 0.00 C ATOM 204 CG ARG A 11 3.714 -5.122 0.642 1.00 0.00 C ATOM 205 CD ARG A 11 2.657 -6.208 0.854 1.00 0.00 C ATOM 206 NE ARG A 11 1.310 -5.599 0.918 1.00 0.00 N ATOM 207 CZ ARG A 11 0.168 -6.299 0.918 1.00 0.00 C ATOM 208 NH1 ARG A 11 0.203 -7.637 0.856 1.00 0.00 N ATOM 209 NH2 ARG A 11 -1.009 -5.662 0.979 1.00 0.00 N ATOM 0 H ARG A 11 7.854 -5.441 1.711 1.00 0.00 H new ATOM 0 HA ARG A 11 5.822 -3.675 0.502 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.485 -6.306 0.303 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.028 -6.175 1.990 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.452 -4.237 1.222 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.729 -4.823 -0.406 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.699 -6.932 0.040 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.863 -6.752 1.776 1.00 0.00 H new ATOM 0 HE ARG A 11 1.247 -4.582 0.965 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.099 -8.122 0.809 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.666 -8.170 0.856 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.036 -4.643 1.025 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.878 -6.196 0.979 1.00 0.00 H new ATOM 223 N ILE A 12 5.188 -2.801 2.749 1.00 0.00 N ATOM 224 CA ILE A 12 4.973 -2.161 4.036 1.00 0.00 C ATOM 225 C ILE A 12 3.812 -1.171 3.921 1.00 0.00 C ATOM 226 O ILE A 12 3.959 0.034 3.715 1.00 0.00 O ATOM 227 CB ILE A 12 6.271 -1.530 4.543 1.00 0.00 C ATOM 228 CG1 ILE A 12 6.270 -1.425 6.070 1.00 0.00 C ATOM 229 CG2 ILE A 12 6.520 -0.177 3.875 1.00 0.00 C ATOM 230 CD1 ILE A 12 7.036 -2.588 6.701 1.00 0.00 C ATOM 0 H ILE A 12 4.721 -2.348 1.964 1.00 0.00 H new ATOM 0 HA ILE A 12 4.690 -2.899 4.786 1.00 0.00 H new ATOM 0 HB ILE A 12 7.099 -2.182 4.266 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.722 -0.481 6.373 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.244 -1.420 6.437 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.449 0.250 4.253 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.596 -0.312 2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.693 0.497 4.099 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.019 -2.488 7.786 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.567 -3.530 6.416 1.00 0.00 H new ATOM 0 HD13 ILE A 12 8.068 -2.576 6.351 1.00 0.00 H new ATOM 242 N PRO A 13 2.575 -1.717 4.063 1.00 0.00 N ATOM 243 CA PRO A 13 1.339 -0.883 4.148 1.00 0.00 C ATOM 244 C PRO A 13 1.023 -0.019 2.873 1.00 0.00 C ATOM 245 O PRO A 13 0.681 -0.531 1.807 1.00 0.00 O ATOM 246 CB PRO A 13 0.295 -1.969 4.487 1.00 0.00 C ATOM 247 CG PRO A 13 0.787 -3.230 3.769 1.00 0.00 C ATOM 248 CD PRO A 13 2.308 -3.163 3.901 1.00 0.00 C ATOM 0 HA PRO A 13 1.395 -0.078 4.881 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.227 -2.129 5.563 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.699 -1.682 4.144 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.386 -4.133 4.229 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.477 -3.240 2.724 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.662 -3.735 4.758 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.806 -3.567 3.020 1.00 0.00 H new ATOM 256 N PRO A 14 1.119 1.318 3.015 1.00 0.00 N ATOM 257 CA PRO A 14 0.670 2.256 1.954 1.00 0.00 C ATOM 258 C PRO A 14 1.443 2.235 0.591 1.00 0.00 C ATOM 259 O PRO A 14 0.844 2.193 -0.478 1.00 0.00 O ATOM 260 CB PRO A 14 0.728 3.601 2.713 1.00 0.00 C ATOM 261 CG PRO A 14 1.784 3.417 3.812 1.00 0.00 C ATOM 262 CD PRO A 14 1.643 1.954 4.236 1.00 0.00 C ATOM 0 HA PRO A 14 -0.311 1.991 1.559 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.999 4.417 2.043 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.243 3.850 3.141 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.786 3.627 3.439 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.607 4.092 4.649 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.598 1.525 4.539 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.961 1.839 5.078 1.00 0.00 H new