USER MOD reduce.3.24.130724 H: found=0, std=0, add=144, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 144 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: 1 1 ARG H1 : 1 1 ARG N : 1 14 PRO C :(NH2R) USER MOD NoAdj-H: 1 1 ARG H2 : 1 1 ARG N : 1 14 PRO C :(NH2R) USER MOD Single : 1 1 ARG N :NH3+ 180:sc= -0.0231 (180deg=-0.0231) USER MOD Single : 1 4 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 7 LYS NZ :NH3+ 157:sc= -0.065 (180deg=-0.526) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG 1 1 4.840 -4.102 5.717 1.00 0.00 N ATOM 2 CA ARG 1 1 5.546 -3.678 4.472 1.00 0.00 C ATOM 3 C ARG 1 1 5.362 -2.173 4.266 1.00 0.00 C ATOM 4 O ARG 1 1 4.294 -1.633 4.477 1.00 0.00 O ATOM 5 CB ARG 1 1 4.959 -4.416 3.267 1.00 0.00 C ATOM 6 CG ARG 1 1 3.432 -4.408 3.349 1.00 0.00 C ATOM 7 CD ARG 1 1 2.843 -4.404 1.936 1.00 0.00 C ATOM 8 NE ARG 1 1 3.616 -3.460 1.079 1.00 0.00 N ATOM 9 CZ ARG 1 1 3.657 -2.191 1.379 1.00 0.00 C ATOM 10 NH1 ARG 1 1 2.956 -1.736 2.382 1.00 0.00 N ATOM 11 NH2 ARG 1 1 4.401 -1.378 0.681 1.00 0.00 N ATOM 0 H3 ARG 1 1 4.966 -5.125 5.856 1.00 0.00 H new ATOM 0 HA ARG 1 1 6.606 -3.914 4.568 1.00 0.00 H new ATOM 0 HB2 ARG 1 1 5.285 -3.939 2.343 1.00 0.00 H new ATOM 0 HB3 ARG 1 1 5.326 -5.442 3.243 1.00 0.00 H new ATOM 0 HG2 ARG 1 1 3.082 -5.283 3.897 1.00 0.00 H new ATOM 0 HG3 ARG 1 1 3.092 -3.530 3.898 1.00 0.00 H new ATOM 0 HD2 ARG 1 1 2.878 -5.408 1.513 1.00 0.00 H new ATOM 0 HD3 ARG 1 1 1.795 -4.108 1.968 1.00 0.00 H new ATOM 0 HE ARG 1 1 4.113 -3.806 0.258 1.00 0.00 H new ATOM 0 HH11 ARG 1 1 2.377 -2.372 2.930 1.00 0.00 H new ATOM 0 HH12 ARG 1 1 2.987 -0.744 2.618 1.00 0.00 H new ATOM 0 HH21 ARG 1 1 4.951 -1.734 -0.100 1.00 0.00 H new ATOM 0 HH22 ARG 1 1 4.432 -0.386 0.917 1.00 0.00 H new ATOM 25 N VAL 1 2 6.391 -1.495 3.841 1.00 0.00 N ATOM 26 CA VAL 1 2 6.273 -0.032 3.603 1.00 0.00 C ATOM 27 C VAL 1 2 6.383 0.234 2.102 1.00 0.00 C ATOM 28 O VAL 1 2 7.403 -0.021 1.490 1.00 0.00 O ATOM 29 CB VAL 1 2 7.400 0.701 4.334 1.00 0.00 C ATOM 30 CG1 VAL 1 2 8.689 -0.115 4.235 1.00 0.00 C ATOM 31 CG2 VAL 1 2 7.617 2.075 3.695 1.00 0.00 C ATOM 0 H VAL 1 2 7.310 -1.893 3.648 1.00 0.00 H new ATOM 0 HA VAL 1 2 5.313 0.326 3.975 1.00 0.00 H new ATOM 0 HB VAL 1 2 7.129 0.827 5.382 1.00 0.00 H new ATOM 0 HG11 VAL 1 2 9.491 0.408 4.756 1.00 0.00 H new ATOM 0 HG12 VAL 1 2 8.537 -1.093 4.692 1.00 0.00 H new ATOM 0 HG13 VAL 1 2 8.959 -0.242 3.187 1.00 0.00 H new ATOM 0 HG21 VAL 1 2 8.420 2.596 4.216 1.00 0.00 H new ATOM 0 HG22 VAL 1 2 7.887 1.950 2.646 1.00 0.00 H new ATOM 0 HG23 VAL 1 2 6.699 2.659 3.767 1.00 0.00 H new ATOM 41 N ARG 1 3 5.344 0.740 1.496 1.00 0.00 N ATOM 42 CA ARG 1 3 5.400 1.011 0.033 1.00 0.00 C ATOM 43 C ARG 1 3 5.955 2.415 -0.201 1.00 0.00 C ATOM 44 O ARG 1 3 5.274 3.287 -0.700 1.00 0.00 O ATOM 45 CB ARG 1 3 3.992 0.912 -0.563 1.00 0.00 C ATOM 46 CG ARG 1 3 3.974 -0.140 -1.676 1.00 0.00 C ATOM 47 CD ARG 1 3 2.640 -0.887 -1.650 1.00 0.00 C ATOM 48 NE ARG 1 3 1.528 0.094 -1.491 1.00 0.00 N ATOM 49 CZ ARG 1 3 0.949 0.239 -0.332 1.00 0.00 C ATOM 50 NH1 ARG 1 3 1.339 -0.480 0.686 1.00 0.00 N ATOM 51 NH2 ARG 1 3 -0.023 1.099 -0.191 1.00 0.00 N ATOM 0 H ARG 1 3 4.462 0.977 1.950 1.00 0.00 H new ATOM 0 HA ARG 1 3 6.047 0.277 -0.448 1.00 0.00 H new ATOM 0 HB2 ARG 1 3 3.276 0.645 0.214 1.00 0.00 H new ATOM 0 HB3 ARG 1 3 3.686 1.880 -0.960 1.00 0.00 H new ATOM 0 HG2 ARG 1 3 4.116 0.338 -2.645 1.00 0.00 H new ATOM 0 HG3 ARG 1 3 4.798 -0.841 -1.542 1.00 0.00 H new ATOM 0 HD2 ARG 1 3 2.510 -1.455 -2.571 1.00 0.00 H new ATOM 0 HD3 ARG 1 3 2.628 -1.604 -0.829 1.00 0.00 H new ATOM 0 HE ARG 1 3 1.221 0.651 -2.288 1.00 0.00 H new ATOM 0 HH11 ARG 1 3 2.096 -1.154 0.574 1.00 0.00 H new ATOM 0 HH12 ARG 1 3 0.887 -0.367 1.593 1.00 0.00 H new ATOM 0 HH21 ARG 1 3 -0.329 1.657 -0.988 1.00 0.00 H new ATOM 0 HH22 ARG 1 3 -0.476 1.212 0.716 1.00 0.00 H new ATOM 65 N THR 1 4 7.189 2.644 0.159 1.00 0.00 N ATOM 66 CA THR 1 4 7.783 3.995 -0.043 1.00 0.00 C ATOM 67 C THR 1 4 7.432 4.501 -1.443 1.00 0.00 C ATOM 68 O THR 1 4 8.153 4.273 -2.393 1.00 0.00 O ATOM 69 CB THR 1 4 9.305 3.915 0.102 1.00 0.00 C ATOM 70 OG1 THR 1 4 9.633 3.488 1.416 1.00 0.00 O ATOM 71 CG2 THR 1 4 9.916 5.293 -0.158 1.00 0.00 C ATOM 0 H THR 1 4 7.810 1.955 0.583 1.00 0.00 H new ATOM 0 HA THR 1 4 7.384 4.681 0.704 1.00 0.00 H new ATOM 0 HB THR 1 4 9.703 3.202 -0.620 1.00 0.00 H new ATOM 0 HG1 THR 1 4 10.607 3.435 1.509 1.00 0.00 H new ATOM 0 HG21 THR 1 4 11.000 5.236 -0.055 1.00 0.00 H new ATOM 0 HG22 THR 1 4 9.664 5.618 -1.168 1.00 0.00 H new ATOM 0 HG23 THR 1 4 9.520 6.008 0.563 1.00 0.00 H new ATOM 79 N ARG 1 5 6.328 5.183 -1.580 1.00 0.00 N ATOM 80 CA ARG 1 5 5.938 5.695 -2.925 1.00 0.00 C ATOM 81 C ARG 1 5 6.963 6.726 -3.398 1.00 0.00 C ATOM 82 O ARG 1 5 8.114 6.699 -3.007 1.00 0.00 O ATOM 83 CB ARG 1 5 4.558 6.349 -2.849 1.00 0.00 C ATOM 84 CG ARG 1 5 3.811 6.100 -4.160 1.00 0.00 C ATOM 85 CD ARG 1 5 2.416 6.721 -4.077 1.00 0.00 C ATOM 86 NE ARG 1 5 1.757 6.643 -5.411 1.00 0.00 N ATOM 87 CZ ARG 1 5 1.950 7.588 -6.291 1.00 0.00 C ATOM 88 NH1 ARG 1 5 2.715 8.605 -6.000 1.00 0.00 N ATOM 89 NH2 ARG 1 5 1.377 7.515 -7.460 1.00 0.00 N ATOM 0 H ARG 1 5 5.682 5.407 -0.823 1.00 0.00 H new ATOM 0 HA ARG 1 5 5.906 4.863 -3.629 1.00 0.00 H new ATOM 0 HB2 ARG 1 5 3.994 5.939 -2.011 1.00 0.00 H new ATOM 0 HB3 ARG 1 5 4.659 7.420 -2.672 1.00 0.00 H new ATOM 0 HG2 ARG 1 5 4.364 6.532 -4.994 1.00 0.00 H new ATOM 0 HG3 ARG 1 5 3.734 5.029 -4.349 1.00 0.00 H new ATOM 0 HD2 ARG 1 5 1.817 6.197 -3.332 1.00 0.00 H new ATOM 0 HD3 ARG 1 5 2.487 7.760 -3.755 1.00 0.00 H new ATOM 0 HE ARG 1 5 1.155 5.851 -5.637 1.00 0.00 H new ATOM 0 HH11 ARG 1 5 3.162 8.661 -5.085 1.00 0.00 H new ATOM 0 HH12 ARG 1 5 2.866 9.343 -6.688 1.00 0.00 H new ATOM 0 HH21 ARG 1 5 0.779 6.720 -7.686 1.00 0.00 H new ATOM 0 HH22 ARG 1 5 1.527 8.253 -8.148 1.00 0.00 H new ATOM 103 N GLY 1 6 6.553 7.638 -4.239 1.00 0.00 N ATOM 104 CA GLY 1 6 7.503 8.672 -4.740 1.00 0.00 C ATOM 105 C GLY 1 6 8.068 9.458 -3.557 1.00 0.00 C ATOM 106 O GLY 1 6 8.966 9.008 -2.875 1.00 0.00 O ATOM 0 H GLY 1 6 5.602 7.711 -4.600 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 8.312 8.199 -5.296 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 6.994 9.346 -5.429 1.00 0.00 H new ATOM 110 N LYS 1 7 7.554 10.632 -3.307 1.00 0.00 N ATOM 111 CA LYS 1 7 8.071 11.435 -2.166 1.00 0.00 C ATOM 112 C LYS 1 7 7.244 11.126 -0.916 1.00 0.00 C ATOM 113 O LYS 1 7 7.503 11.638 0.154 1.00 0.00 O ATOM 114 CB LYS 1 7 7.963 12.929 -2.493 1.00 0.00 C ATOM 115 CG LYS 1 7 8.346 13.168 -3.956 1.00 0.00 C ATOM 116 CD LYS 1 7 8.759 14.631 -4.144 1.00 0.00 C ATOM 117 CE LYS 1 7 8.950 14.923 -5.634 1.00 0.00 C ATOM 118 NZ LYS 1 7 7.632 14.865 -6.326 1.00 0.00 N ATOM 0 H LYS 1 7 6.802 11.067 -3.842 1.00 0.00 H new ATOM 0 HA LYS 1 7 9.116 11.181 -1.988 1.00 0.00 H new ATOM 0 HB2 LYS 1 7 6.946 13.278 -2.312 1.00 0.00 H new ATOM 0 HB3 LYS 1 7 8.618 13.503 -1.837 1.00 0.00 H new ATOM 0 HG2 LYS 1 7 9.166 12.508 -4.241 1.00 0.00 H new ATOM 0 HG3 LYS 1 7 7.505 12.930 -4.607 1.00 0.00 H new ATOM 0 HD2 LYS 1 7 7.997 15.291 -3.729 1.00 0.00 H new ATOM 0 HD3 LYS 1 7 9.684 14.831 -3.602 1.00 0.00 H new ATOM 0 HE2 LYS 1 7 9.400 15.907 -5.768 1.00 0.00 H new ATOM 0 HE3 LYS 1 7 9.635 14.197 -6.073 1.00 0.00 H new ATOM 0 HZ1 LYS 1 7 7.676 15.420 -7.204 1.00 0.00 H new ATOM 0 HZ2 LYS 1 7 7.402 13.876 -6.553 1.00 0.00 H new ATOM 0 HZ3 LYS 1 7 6.896 15.258 -5.705 1.00 0.00 H new ATOM 132 N ARG 1 8 6.246 10.285 -1.046 1.00 0.00 N ATOM 133 CA ARG 1 8 5.401 9.945 0.132 1.00 0.00 C ATOM 134 C ARG 1 8 5.867 8.622 0.745 1.00 0.00 C ATOM 135 O ARG 1 8 7.008 8.225 0.599 1.00 0.00 O ATOM 136 CB ARG 1 8 3.943 9.820 -0.314 1.00 0.00 C ATOM 137 CG ARG 1 8 3.432 11.192 -0.752 1.00 0.00 C ATOM 138 CD ARG 1 8 3.170 12.056 0.482 1.00 0.00 C ATOM 139 NE ARG 1 8 2.214 13.141 0.134 1.00 0.00 N ATOM 140 CZ ARG 1 8 2.607 14.136 -0.611 1.00 0.00 C ATOM 141 NH1 ARG 1 8 3.842 14.186 -1.032 1.00 0.00 N ATOM 142 NH2 ARG 1 8 1.771 15.086 -0.926 1.00 0.00 N ATOM 0 H ARG 1 8 5.984 9.823 -1.917 1.00 0.00 H new ATOM 0 HA ARG 1 8 5.490 10.732 0.880 1.00 0.00 H new ATOM 0 HB2 ARG 1 8 3.861 9.109 -1.136 1.00 0.00 H new ATOM 0 HB3 ARG 1 8 3.332 9.435 0.502 1.00 0.00 H new ATOM 0 HG2 ARG 1 8 4.164 11.675 -1.399 1.00 0.00 H new ATOM 0 HG3 ARG 1 8 2.517 11.082 -1.333 1.00 0.00 H new ATOM 0 HD2 ARG 1 8 2.765 11.444 1.288 1.00 0.00 H new ATOM 0 HD3 ARG 1 8 4.105 12.483 0.845 1.00 0.00 H new ATOM 0 HE ARG 1 8 1.254 13.107 0.477 1.00 0.00 H new ATOM 0 HH11 ARG 1 8 4.498 13.447 -0.778 1.00 0.00 H new ATOM 0 HH12 ARG 1 8 4.151 14.964 -1.615 1.00 0.00 H new ATOM 0 HH21 ARG 1 8 0.809 15.051 -0.589 1.00 0.00 H new ATOM 0 HH22 ARG 1 8 2.079 15.864 -1.509 1.00 0.00 H new ATOM 156 N ARG 1 9 4.994 7.934 1.434 1.00 0.00 N ATOM 157 CA ARG 1 9 5.394 6.645 2.062 1.00 0.00 C ATOM 158 C ARG 1 9 4.184 6.002 2.740 1.00 0.00 C ATOM 159 O ARG 1 9 3.896 6.261 3.893 1.00 0.00 O ATOM 160 CB ARG 1 9 6.477 6.899 3.110 1.00 0.00 C ATOM 161 CG ARG 1 9 6.777 5.595 3.855 1.00 0.00 C ATOM 162 CD ARG 1 9 8.254 5.547 4.243 1.00 0.00 C ATOM 163 NE ARG 1 9 8.716 6.917 4.607 1.00 0.00 N ATOM 164 CZ ARG 1 9 9.978 7.232 4.502 1.00 0.00 C ATOM 165 NH1 ARG 1 9 10.840 6.346 4.085 1.00 0.00 N ATOM 166 NH2 ARG 1 9 10.378 8.435 4.813 1.00 0.00 N ATOM 0 H ARG 1 9 4.024 8.210 1.587 1.00 0.00 H new ATOM 0 HA ARG 1 9 5.778 5.978 1.290 1.00 0.00 H new ATOM 0 HB2 ARG 1 9 7.382 7.274 2.631 1.00 0.00 H new ATOM 0 HB3 ARG 1 9 6.147 7.665 3.812 1.00 0.00 H new ATOM 0 HG2 ARG 1 9 6.155 5.524 4.747 1.00 0.00 H new ATOM 0 HG3 ARG 1 9 6.529 4.741 3.225 1.00 0.00 H new ATOM 0 HD2 ARG 1 9 8.399 4.868 5.083 1.00 0.00 H new ATOM 0 HD3 ARG 1 9 8.847 5.160 3.414 1.00 0.00 H new ATOM 0 HE ARG 1 9 8.044 7.609 4.939 1.00 0.00 H new ATOM 0 HH11 ARG 1 9 10.528 5.406 3.841 1.00 0.00 H new ATOM 0 HH12 ARG 1 9 11.826 6.593 4.003 1.00 0.00 H new ATOM 0 HH21 ARG 1 9 9.704 9.128 5.138 1.00 0.00 H new ATOM 0 HH22 ARG 1 9 11.364 8.682 4.731 1.00 0.00 H new ATOM 180 N ILE 1 10 3.474 5.163 2.039 1.00 0.00 N ATOM 181 CA ILE 1 10 2.280 4.512 2.650 1.00 0.00 C ATOM 182 C ILE 1 10 2.673 3.133 3.187 1.00 0.00 C ATOM 183 O ILE 1 10 3.580 2.496 2.686 1.00 0.00 O ATOM 184 CB ILE 1 10 1.180 4.374 1.595 1.00 0.00 C ATOM 185 CG1 ILE 1 10 0.274 5.607 1.649 1.00 0.00 C ATOM 186 CG2 ILE 1 10 0.347 3.127 1.890 1.00 0.00 C ATOM 187 CD1 ILE 1 10 1.011 6.811 1.055 1.00 0.00 C ATOM 0 H ILE 1 10 3.667 4.900 1.073 1.00 0.00 H new ATOM 0 HA ILE 1 10 1.907 5.122 3.473 1.00 0.00 H new ATOM 0 HB ILE 1 10 1.630 4.288 0.606 1.00 0.00 H new ATOM 0 HG12 ILE 1 10 -0.645 5.420 1.094 1.00 0.00 H new ATOM 0 HG13 ILE 1 10 -0.013 5.815 2.680 1.00 0.00 H new ATOM 0 HG21 ILE 1 10 -0.437 3.027 1.139 1.00 0.00 H new ATOM 0 HG22 ILE 1 10 0.989 2.246 1.864 1.00 0.00 H new ATOM 0 HG23 ILE 1 10 -0.105 3.217 2.878 1.00 0.00 H new ATOM 0 HD11 ILE 1 10 0.365 7.688 1.094 1.00 0.00 H new ATOM 0 HD12 ILE 1 10 1.918 7.002 1.629 1.00 0.00 H new ATOM 0 HD13 ILE 1 10 1.275 6.601 0.019 1.00 0.00 H new ATOM 199 N ARG 1 11 2.009 2.670 4.212 1.00 0.00 N ATOM 200 CA ARG 1 11 2.347 1.331 4.773 1.00 0.00 C ATOM 201 C ARG 1 11 1.116 0.412 4.721 1.00 0.00 C ATOM 202 O ARG 1 11 -0.012 0.867 4.701 1.00 0.00 O ATOM 203 CB ARG 1 11 2.791 1.496 6.229 1.00 0.00 C ATOM 204 CG ARG 1 11 4.316 1.383 6.326 1.00 0.00 C ATOM 205 CD ARG 1 11 4.777 1.795 7.728 1.00 0.00 C ATOM 206 NE ARG 1 11 5.027 3.265 7.762 1.00 0.00 N ATOM 207 CZ ARG 1 11 5.050 3.899 8.903 1.00 0.00 C ATOM 208 NH1 ARG 1 11 4.850 3.250 10.016 1.00 0.00 N ATOM 209 NH2 ARG 1 11 5.266 5.187 8.930 1.00 0.00 N ATOM 0 H ARG 1 11 1.249 3.160 4.684 1.00 0.00 H new ATOM 0 HA ARG 1 11 3.150 0.887 4.184 1.00 0.00 H new ATOM 0 HB2 ARG 1 11 2.464 2.464 6.610 1.00 0.00 H new ATOM 0 HB3 ARG 1 11 2.321 0.733 6.850 1.00 0.00 H new ATOM 0 HG2 ARG 1 11 4.628 0.360 6.116 1.00 0.00 H new ATOM 0 HG3 ARG 1 11 4.786 2.020 5.577 1.00 0.00 H new ATOM 0 HD2 ARG 1 11 4.019 1.528 8.464 1.00 0.00 H new ATOM 0 HD3 ARG 1 11 5.685 1.255 7.996 1.00 0.00 H new ATOM 0 HE ARG 1 11 5.180 3.776 6.892 1.00 0.00 H new ATOM 0 HH11 ARG 1 11 4.675 2.245 9.996 1.00 0.00 H new ATOM 0 HH12 ARG 1 11 4.868 3.747 10.907 1.00 0.00 H new ATOM 0 HH21 ARG 1 11 5.417 5.697 8.060 1.00 0.00 H new ATOM 0 HH22 ARG 1 11 5.284 5.683 9.821 1.00 0.00 H new ATOM 223 N VAL 1 12 1.328 -0.877 4.712 1.00 0.00 N ATOM 224 CA VAL 1 12 0.184 -1.836 4.669 1.00 0.00 C ATOM 225 C VAL 1 12 0.632 -3.135 5.346 1.00 0.00 C ATOM 226 O VAL 1 12 1.136 -4.039 4.707 1.00 0.00 O ATOM 227 CB VAL 1 12 -0.206 -2.098 3.205 1.00 0.00 C ATOM 228 CG1 VAL 1 12 -1.061 -3.364 3.105 1.00 0.00 C ATOM 229 CG2 VAL 1 12 -1.014 -0.910 2.675 1.00 0.00 C ATOM 0 H VAL 1 12 2.251 -1.310 4.733 1.00 0.00 H new ATOM 0 HA VAL 1 12 -0.684 -1.430 5.188 1.00 0.00 H new ATOM 0 HB VAL 1 12 0.702 -2.228 2.615 1.00 0.00 H new ATOM 0 HG11 VAL 1 12 -1.331 -3.539 2.064 1.00 0.00 H new ATOM 0 HG12 VAL 1 12 -0.495 -4.216 3.481 1.00 0.00 H new ATOM 0 HG13 VAL 1 12 -1.967 -3.239 3.699 1.00 0.00 H new ATOM 0 HG21 VAL 1 12 -1.292 -1.093 1.637 1.00 0.00 H new ATOM 0 HG22 VAL 1 12 -1.915 -0.786 3.275 1.00 0.00 H new ATOM 0 HG23 VAL 1 12 -0.411 -0.004 2.735 1.00 0.00 H new ATOM 239 N PRO 1 13 0.485 -3.204 6.647 1.00 0.00 N ATOM 240 CA PRO 1 13 0.958 -4.366 7.445 1.00 0.00 C ATOM 241 C PRO 1 13 2.427 -4.199 7.799 1.00 0.00 C ATOM 242 O PRO 1 13 2.857 -3.152 8.253 1.00 0.00 O ATOM 243 CB PRO 1 13 0.095 -4.362 8.708 1.00 0.00 C ATOM 244 CG PRO 1 13 -0.332 -2.943 8.913 1.00 0.00 C ATOM 245 CD PRO 1 13 -0.188 -2.227 7.569 1.00 0.00 C ATOM 0 HA PRO 1 13 0.870 -5.304 6.897 1.00 0.00 H new ATOM 0 HB2 PRO 1 13 -0.769 -5.016 8.592 1.00 0.00 H new ATOM 0 HB3 PRO 1 13 0.659 -4.728 9.566 1.00 0.00 H new ATOM 0 HG2 PRO 1 13 -1.363 -2.899 9.264 1.00 0.00 H new ATOM 0 HG3 PRO 1 13 0.284 -2.462 9.673 1.00 0.00 H new ATOM 0 HD2 PRO 1 13 -1.162 -1.930 7.179 1.00 0.00 H new ATOM 0 HD3 PRO 1 13 0.404 -1.318 7.673 1.00 0.00 H new ATOM 253 N PRO 1 14 3.190 -5.222 7.565 1.00 0.00 N ATOM 254 CA PRO 1 14 4.640 -5.233 7.850 1.00 0.00 C ATOM 255 C PRO 1 14 5.446 -4.849 6.604 1.00 0.00 C ATOM 256 O PRO 1 14 6.591 -5.223 6.445 1.00 0.00 O ATOM 257 CB PRO 1 14 4.891 -6.686 8.249 1.00 0.00 C ATOM 258 CG PRO 1 14 3.915 -7.496 7.448 1.00 0.00 C ATOM 259 CD PRO 1 14 2.794 -6.551 7.002 1.00 0.00 C ATOM 0 HA PRO 1 14 4.940 -4.519 8.617 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 5.918 -6.981 8.031 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 4.737 -6.831 9.318 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 4.406 -7.944 6.584 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 3.513 -8.314 8.046 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 2.712 -6.515 5.916 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 1.825 -6.873 7.384 1.00 0.00 H new