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= -0.124 (180deg=-0.124) USER MOD Single : A 4 THR OG1 : rot -47:sc= -0.0671! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.519 0.248 0.024 1.00 0.00 N ATOM 2 CA ARG A 1 2.542 0.612 -0.941 1.00 0.00 C ATOM 3 C ARG A 1 3.629 -0.464 -0.995 1.00 0.00 C ATOM 4 O ARG A 1 4.146 -0.881 0.041 1.00 0.00 O ATOM 5 CB ARG A 1 3.181 1.956 -0.586 1.00 0.00 C ATOM 6 CG ARG A 1 2.592 3.085 -1.434 1.00 0.00 C ATOM 7 CD ARG A 1 3.180 4.439 -1.031 1.00 0.00 C ATOM 8 NE ARG A 1 4.629 4.470 -1.330 1.00 0.00 N ATOM 9 CZ ARG A 1 5.504 5.284 -0.724 1.00 0.00 C ATOM 10 NH1 ARG A 1 5.081 6.141 0.216 1.00 0.00 N ATOM 11 NH2 ARG A 1 6.800 5.244 -1.060 1.00 0.00 N ATOM 0 H3 ARG A 1 0.788 0.987 0.050 1.00 0.00 H new ATOM 0 HA ARG A 1 2.062 0.697 -1.916 1.00 0.00 H new ATOM 0 HB2 ARG A 1 3.023 2.170 0.471 1.00 0.00 H new ATOM 0 HB3 ARG A 1 4.258 1.903 -0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 1 2.794 2.896 -2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 1 1.509 3.106 -1.316 1.00 0.00 H new ATOM 0 HD2 ARG A 1 2.672 5.240 -1.568 1.00 0.00 H new ATOM 0 HD3 ARG A 1 3.016 4.614 0.032 1.00 0.00 H new ATOM 0 HE ARG A 1 4.984 3.832 -2.042 1.00 0.00 H new ATOM 0 HH11 ARG A 1 4.094 6.173 0.470 1.00 0.00 H new ATOM 0 HH12 ARG A 1 5.747 6.761 0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 1 7.121 4.594 -1.777 1.00 0.00 H new ATOM 0 HH22 ARG A 1 7.466 5.864 -0.599 1.00 0.00 H new ATOM 25 N VAL A 2 3.944 -0.881 -2.212 1.00 0.00 N ATOM 26 CA VAL A 2 4.960 -1.900 -2.414 1.00 0.00 C ATOM 27 C VAL A 2 6.031 -1.364 -3.365 1.00 0.00 C ATOM 28 O VAL A 2 5.838 -1.354 -4.581 1.00 0.00 O ATOM 29 CB VAL A 2 4.312 -3.194 -2.911 1.00 0.00 C ATOM 30 CG1 VAL A 2 3.765 -3.024 -4.330 1.00 0.00 C ATOM 31 CG2 VAL A 2 5.296 -4.363 -2.840 1.00 0.00 C ATOM 0 H VAL A 2 3.514 -0.532 -3.068 1.00 0.00 H new ATOM 0 HA VAL A 2 5.453 -2.140 -1.472 1.00 0.00 H new ATOM 0 HB VAL A 2 3.473 -3.422 -2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.310 -3.958 -4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.016 -2.233 -4.339 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.579 -2.760 -5.005 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.810 -5.270 -3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.164 -4.146 -3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.616 -4.507 -1.808 1.00 0.00 H new ATOM 41 N ARG A 3 7.138 -0.933 -2.778 1.00 0.00 N ATOM 42 CA ARG A 3 8.239 -0.397 -3.557 1.00 0.00 C ATOM 43 C ARG A 3 9.152 -1.529 -4.034 1.00 0.00 C ATOM 44 O ARG A 3 8.815 -2.703 -3.894 1.00 0.00 O ATOM 45 CB ARG A 3 9.061 0.600 -2.737 1.00 0.00 C ATOM 46 CG ARG A 3 9.461 1.809 -3.586 1.00 0.00 C ATOM 47 CD ARG A 3 9.319 3.108 -2.790 1.00 0.00 C ATOM 48 NE ARG A 3 10.201 4.150 -3.361 1.00 0.00 N ATOM 49 CZ ARG A 3 10.394 5.357 -2.809 1.00 0.00 C ATOM 50 NH1 ARG A 3 9.767 5.680 -1.669 1.00 0.00 N ATOM 51 NH2 ARG A 3 11.212 6.239 -3.397 1.00 0.00 N ATOM 0 H ARG A 3 7.295 -0.945 -1.770 1.00 0.00 H new ATOM 0 HA ARG A 3 7.815 0.120 -4.418 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.482 0.932 -1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.955 0.110 -2.352 1.00 0.00 H new ATOM 0 HG2 ARG A 3 10.491 1.696 -3.924 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.836 1.854 -4.478 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.283 3.446 -2.811 1.00 0.00 H new ATOM 0 HD3 ARG A 3 9.577 2.934 -1.745 1.00 0.00 H new ATOM 0 HE ARG A 3 10.693 3.937 -4.229 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.144 5.008 -1.222 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.913 6.598 -1.249 1.00 0.00 H new ATOM 0 HH21 ARG A 3 11.688 5.993 -4.265 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.359 7.157 -2.977 1.00 0.00 H new ATOM 65 N THR A 4 10.290 -1.135 -4.588 1.00 0.00 N ATOM 66 CA THR A 4 11.253 -2.102 -5.086 1.00 0.00 C ATOM 67 C THR A 4 12.658 -1.498 -5.096 1.00 0.00 C ATOM 68 O THR A 4 12.822 -0.301 -5.325 1.00 0.00 O ATOM 69 CB THR A 4 10.783 -2.571 -6.465 1.00 0.00 C ATOM 70 OG1 THR A 4 9.388 -2.810 -6.294 1.00 0.00 O ATOM 71 CG2 THR A 4 11.352 -3.939 -6.845 1.00 0.00 C ATOM 0 H THR A 4 10.566 -0.160 -4.703 1.00 0.00 H new ATOM 0 HA THR A 4 11.312 -2.973 -4.434 1.00 0.00 H new ATOM 0 HB THR A 4 11.074 -1.837 -7.216 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.243 -3.333 -5.478 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.987 -4.224 -7.832 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.441 -3.888 -6.862 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.034 -4.681 -6.113 1.00 0.00 H new ATOM 79 N ARG A 5 13.638 -2.355 -4.846 1.00 0.00 N ATOM 80 CA ARG A 5 15.024 -1.920 -4.823 1.00 0.00 C ATOM 81 C ARG A 5 15.960 -3.129 -4.888 1.00 0.00 C ATOM 82 O ARG A 5 15.567 -4.242 -4.540 1.00 0.00 O ATOM 83 CB ARG A 5 15.329 -1.116 -3.558 1.00 0.00 C ATOM 84 CG ARG A 5 16.728 -0.500 -3.624 1.00 0.00 C ATOM 85 CD ARG A 5 16.799 0.786 -2.797 1.00 0.00 C ATOM 86 NE ARG A 5 18.212 1.135 -2.526 1.00 0.00 N ATOM 87 CZ ARG A 5 19.067 1.582 -3.457 1.00 0.00 C ATOM 88 NH1 ARG A 5 18.657 1.737 -4.723 1.00 0.00 N ATOM 89 NH2 ARG A 5 20.330 1.875 -3.120 1.00 0.00 N ATOM 0 H ARG A 5 13.499 -3.348 -4.658 1.00 0.00 H new ATOM 0 HA ARG A 5 15.186 -1.282 -5.692 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.586 -0.328 -3.436 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.254 -1.763 -2.684 1.00 0.00 H new ATOM 0 HG2 ARG A 5 17.462 -1.216 -3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 5 16.986 -0.285 -4.661 1.00 0.00 H new ATOM 0 HD2 ARG A 5 16.311 1.600 -3.333 1.00 0.00 H new ATOM 0 HD3 ARG A 5 16.261 0.655 -1.858 1.00 0.00 H new ATOM 0 HE ARG A 5 18.556 1.029 -1.572 1.00 0.00 H new ATOM 0 HH11 ARG A 5 17.695 1.515 -4.978 1.00 0.00 H new ATOM 0 HH12 ARG A 5 19.307 2.077 -5.432 1.00 0.00 H new ATOM 0 HH21 ARG A 5 20.641 1.758 -2.156 1.00 0.00 H new ATOM 0 HH22 ARG A 5 20.981 2.215 -3.828 1.00 0.00 H new ATOM 103 N LYS A 6 17.180 -2.870 -5.337 1.00 0.00 N ATOM 104 CA LYS A 6 18.174 -3.923 -5.452 1.00 0.00 C ATOM 105 C LYS A 6 17.544 -5.143 -6.125 1.00 0.00 C ATOM 106 O LYS A 6 17.850 -6.280 -5.770 1.00 0.00 O ATOM 107 CB LYS A 6 18.794 -4.226 -4.086 1.00 0.00 C ATOM 108 CG LYS A 6 19.586 -3.026 -3.565 1.00 0.00 C ATOM 109 CD LYS A 6 21.033 -3.417 -3.254 1.00 0.00 C ATOM 110 CE LYS A 6 21.993 -2.837 -4.295 1.00 0.00 C ATOM 111 NZ LYS A 6 22.795 -1.741 -3.706 1.00 0.00 N ATOM 0 H LYS A 6 17.502 -1.946 -5.625 1.00 0.00 H new ATOM 0 HA LYS A 6 18.999 -3.600 -6.087 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.009 -4.484 -3.375 1.00 0.00 H new ATOM 0 HB3 LYS A 6 19.450 -5.093 -4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 6 19.573 -2.227 -4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.110 -2.634 -2.666 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.306 -3.057 -2.262 1.00 0.00 H new ATOM 0 HD3 LYS A 6 21.124 -4.503 -3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 6 22.654 -3.621 -4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.430 -2.464 -5.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 23.441 -1.358 -4.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.161 -0.987 -3.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.347 -2.107 -2.904 1.00 0.00 H new ATOM 125 N GLY A 7 16.674 -4.866 -7.086 1.00 0.00 N ATOM 126 CA GLY A 7 15.999 -5.927 -7.814 1.00 0.00 C ATOM 127 C GLY A 7 15.220 -6.834 -6.859 1.00 0.00 C ATOM 128 O GLY A 7 15.095 -8.034 -7.102 1.00 0.00 O ATOM 0 H GLY A 7 16.421 -3.922 -7.377 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.319 -5.494 -8.547 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.730 -6.517 -8.367 1.00 0.00 H new ATOM 132 N ARG A 8 14.718 -6.229 -5.793 1.00 0.00 N ATOM 133 CA ARG A 8 13.956 -6.968 -4.802 1.00 0.00 C ATOM 134 C ARG A 8 12.643 -6.244 -4.494 1.00 0.00 C ATOM 135 O ARG A 8 12.502 -5.056 -4.782 1.00 0.00 O ATOM 136 CB ARG A 8 14.752 -7.135 -3.506 1.00 0.00 C ATOM 137 CG ARG A 8 16.004 -7.983 -3.739 1.00 0.00 C ATOM 138 CD ARG A 8 15.638 -9.454 -3.949 1.00 0.00 C ATOM 139 NE ARG A 8 15.480 -10.128 -2.641 1.00 0.00 N ATOM 140 CZ ARG A 8 14.318 -10.220 -1.981 1.00 0.00 C ATOM 141 NH1 ARG A 8 13.206 -9.684 -2.501 1.00 0.00 N ATOM 142 NH2 ARG A 8 14.268 -10.851 -0.799 1.00 0.00 N ATOM 0 H ARG A 8 14.824 -5.234 -5.594 1.00 0.00 H new ATOM 0 HA ARG A 8 13.744 -7.954 -5.215 1.00 0.00 H new ATOM 0 HB2 ARG A 8 15.038 -6.156 -3.121 1.00 0.00 H new ATOM 0 HB3 ARG A 8 14.126 -7.605 -2.748 1.00 0.00 H new ATOM 0 HG2 ARG A 8 16.543 -7.611 -4.610 1.00 0.00 H new ATOM 0 HG3 ARG A 8 16.675 -7.890 -2.885 1.00 0.00 H new ATOM 0 HD2 ARG A 8 14.713 -9.529 -4.520 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.414 -9.951 -4.532 1.00 0.00 H new ATOM 0 HE ARG A 8 16.307 -10.548 -2.216 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.243 -9.205 -3.401 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.322 -9.755 -1.997 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.114 -11.260 -0.403 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.384 -10.922 -0.296 1.00 0.00 H new ATOM 156 N ARG A 9 11.715 -6.991 -3.914 1.00 0.00 N ATOM 157 CA ARG A 9 10.419 -6.435 -3.564 1.00 0.00 C ATOM 158 C ARG A 9 10.266 -6.358 -2.044 1.00 0.00 C ATOM 159 O ARG A 9 10.718 -7.249 -1.326 1.00 0.00 O ATOM 160 CB ARG A 9 9.282 -7.283 -4.141 1.00 0.00 C ATOM 161 CG ARG A 9 7.919 -6.691 -3.781 1.00 0.00 C ATOM 162 CD ARG A 9 7.296 -7.430 -2.594 1.00 0.00 C ATOM 163 NE ARG A 9 6.118 -8.204 -3.042 1.00 0.00 N ATOM 164 CZ ARG A 9 5.148 -8.637 -2.226 1.00 0.00 C ATOM 165 NH1 ARG A 9 5.211 -8.374 -0.913 1.00 0.00 N ATOM 166 NH2 ARG A 9 4.116 -9.334 -2.720 1.00 0.00 N ATOM 0 H ARG A 9 11.835 -7.976 -3.678 1.00 0.00 H new ATOM 0 HA ARG A 9 10.363 -5.433 -3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.382 -7.342 -5.225 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.353 -8.301 -3.758 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.030 -5.634 -3.538 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.253 -6.752 -4.642 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.031 -8.098 -2.145 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.001 -6.716 -1.825 1.00 0.00 H new ATOM 0 HE ARG A 9 6.039 -8.422 -4.035 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.997 -7.845 -0.536 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.473 -8.703 -0.291 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.068 -9.536 -3.719 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.378 -9.663 -2.097 1.00 0.00 H new ATOM 180 N ILE A 10 9.628 -5.286 -1.598 1.00 0.00 N ATOM 181 CA ILE A 10 9.410 -5.082 -0.177 1.00 0.00 C ATOM 182 C ILE A 10 7.970 -4.621 0.053 1.00 0.00 C ATOM 183 O ILE A 10 7.312 -4.142 -0.869 1.00 0.00 O ATOM 184 CB ILE A 10 10.460 -4.125 0.394 1.00 0.00 C ATOM 185 CG1 ILE A 10 11.763 -4.202 -0.405 1.00 0.00 C ATOM 186 CG2 ILE A 10 10.686 -4.385 1.885 1.00 0.00 C ATOM 187 CD1 ILE A 10 12.422 -5.575 -0.249 1.00 0.00 C ATOM 0 H ILE A 10 9.255 -4.549 -2.197 1.00 0.00 H new ATOM 0 HA ILE A 10 9.536 -6.019 0.366 1.00 0.00 H new ATOM 0 HB ILE A 10 10.083 -3.107 0.298 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.560 -4.010 -1.458 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.448 -3.425 -0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.436 -3.692 2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.751 -4.240 2.426 1.00 0.00 H new ATOM 0 HG23 ILE A 10 11.032 -5.409 2.027 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.346 -5.603 -0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.646 -5.754 0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.744 -6.347 -0.612 1.00 0.00 H new ATOM 199 N ARG A 11 7.522 -4.781 1.290 1.00 0.00 N ATOM 200 CA ARG A 11 6.171 -4.387 1.653 1.00 0.00 C ATOM 201 C ARG A 11 6.198 -3.446 2.859 1.00 0.00 C ATOM 202 O ARG A 11 6.969 -3.651 3.794 1.00 0.00 O ATOM 203 CB ARG A 11 5.312 -5.609 1.988 1.00 0.00 C ATOM 204 CG ARG A 11 3.833 -5.333 1.711 1.00 0.00 C ATOM 205 CD ARG A 11 2.987 -6.584 1.953 1.00 0.00 C ATOM 206 NE ARG A 11 2.043 -6.781 0.831 1.00 0.00 N ATOM 207 CZ ARG A 11 0.907 -6.089 0.675 1.00 0.00 C ATOM 208 NH1 ARG A 11 0.565 -5.151 1.568 1.00 0.00 N ATOM 209 NH2 ARG A 11 0.110 -6.336 -0.375 1.00 0.00 N ATOM 0 H ARG A 11 8.070 -5.178 2.053 1.00 0.00 H new ATOM 0 HA ARG A 11 5.734 -3.873 0.797 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.643 -6.463 1.397 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.446 -5.875 3.036 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.484 -4.524 2.353 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.708 -4.999 0.681 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.633 -7.456 2.053 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.437 -6.486 2.889 1.00 0.00 H new ATOM 0 HE ARG A 11 2.272 -7.488 0.132 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.170 -4.963 2.368 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.300 -4.624 1.448 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.369 -7.051 -1.055 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.755 -5.809 -0.494 1.00 0.00 H new ATOM 223 N ILE A 12 5.348 -2.431 2.795 1.00 0.00 N ATOM 224 CA ILE A 12 5.265 -1.457 3.871 1.00 0.00 C ATOM 225 C ILE A 12 3.977 -0.644 3.719 1.00 0.00 C ATOM 226 O ILE A 12 3.918 0.439 3.137 1.00 0.00 O ATOM 227 CB ILE A 12 6.531 -0.600 3.915 1.00 0.00 C ATOM 228 CG1 ILE A 12 6.768 -0.045 5.321 1.00 0.00 C ATOM 229 CG2 ILE A 12 6.481 0.509 2.862 1.00 0.00 C ATOM 230 CD1 ILE A 12 8.264 0.087 5.613 1.00 0.00 C ATOM 0 H ILE A 12 4.712 -2.262 2.016 1.00 0.00 H new ATOM 0 HA ILE A 12 5.213 -1.959 4.837 1.00 0.00 H new ATOM 0 HB ILE A 12 7.382 -1.236 3.671 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.288 0.929 5.417 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.307 -0.702 6.058 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.393 1.103 2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.394 0.065 1.870 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.619 1.150 3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.405 0.484 6.618 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.737 -0.892 5.540 1.00 0.00 H new ATOM 0 HD13 ILE A 12 8.718 0.764 4.889 1.00 0.00 H new ATOM 242 N PRO A 13 2.873 -1.207 4.279 1.00 0.00 N ATOM 243 CA PRO A 13 1.571 -0.483 4.376 1.00 0.00 C ATOM 244 C PRO A 13 0.811 -0.283 3.015 1.00 0.00 C ATOM 245 O PRO A 13 0.331 -1.230 2.389 1.00 0.00 O ATOM 246 CB PRO A 13 0.842 -1.362 5.417 1.00 0.00 C ATOM 247 CG PRO A 13 1.354 -2.783 5.163 1.00 0.00 C ATOM 248 CD PRO A 13 2.827 -2.588 4.804 1.00 0.00 C ATOM 0 HA PRO A 13 1.665 0.563 4.667 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.065 -1.038 6.433 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.240 -1.304 5.294 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.238 -3.412 6.045 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.807 -3.266 4.353 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.472 -2.708 5.675 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.158 -3.312 4.059 1.00 0.00 H new ATOM 256 N PRO A 14 0.686 0.986 2.578 1.00 0.00 N ATOM 257 CA PRO A 14 -0.166 1.338 1.411 1.00 0.00 C ATOM 258 C PRO A 14 0.286 0.822 0.002 1.00 0.00 C ATOM 259 O PRO A 14 -0.198 1.281 -1.028 1.00 0.00 O ATOM 260 CB PRO A 14 -0.229 2.875 1.552 1.00 0.00 C ATOM 261 CG PRO A 14 1.050 3.282 2.294 1.00 0.00 C ATOM 262 CD PRO A 14 1.313 2.129 3.264 1.00 0.00 C ATOM 0 HA PRO A 14 -1.132 0.833 1.438 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.283 3.355 0.575 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.116 3.180 2.107 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.883 3.418 1.604 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.918 4.225 2.825 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.379 1.970 3.426 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.866 2.311 4.241 1.00 0.00 H new TER 270 PRO A 14