USER MOD reduce.3.24.130724 H: found=0, std=0, add=138, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 138 hydrogens (7 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 GLY H1 : A 1 GLY N : A 16 ARG C :(NH2R) USER MOD NoAdj-H: A 1 GLY H3 : A 1 GLY N : A 16 ARG C :(NH2R) USER MOD NoAdj-H: A 8 DPR H : A 8 DPR N : A 7 PHE C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.176 (180deg=-0.176) USER MOD Single : A 2 SER OG : rot -139:sc= 0.424! USER MOD Single : A 10 LYS NZ :NH3+ 162:sc=-0.000944 (180deg=-0.11) USER MOD Single : A 14 ASN : amide:sc= -1.29! C(o=-1.3!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.830 0.717 -4.301 1.00 0.00 N ATOM 2 CA GLY A 1 10.647 1.781 -3.731 1.00 0.00 C ATOM 3 C GLY A 1 9.792 2.771 -2.951 1.00 0.00 C ATOM 4 O GLY A 1 10.301 3.741 -2.389 1.00 0.00 O ATOM 0 H2 GLY A 1 10.437 0.057 -4.827 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.402 1.351 -3.073 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.178 2.303 -4.528 1.00 0.00 H new ATOM 8 N SER A 2 8.490 2.517 -2.924 1.00 0.00 N ATOM 9 CA SER A 2 7.564 3.391 -2.210 1.00 0.00 C ATOM 10 C SER A 2 7.135 2.760 -0.892 1.00 0.00 C ATOM 11 O SER A 2 7.894 2.014 -0.273 1.00 0.00 O ATOM 12 CB SER A 2 6.327 3.659 -3.068 1.00 0.00 C ATOM 13 OG SER A 2 5.488 4.594 -2.403 1.00 0.00 O ATOM 0 H SER A 2 8.052 1.719 -3.384 1.00 0.00 H new ATOM 0 HA SER A 2 8.076 4.331 -2.003 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.623 4.048 -4.042 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.786 2.730 -3.246 1.00 0.00 H new ATOM 0 HG SER A 2 4.552 4.323 -2.505 1.00 0.00 H new ATOM 19 N ARG A 3 5.915 3.072 -0.469 1.00 0.00 N ATOM 20 CA ARG A 3 5.386 2.542 0.778 1.00 0.00 C ATOM 21 C ARG A 3 3.953 2.042 0.573 1.00 0.00 C ATOM 22 O ARG A 3 3.627 1.498 -0.481 1.00 0.00 O ATOM 23 CB ARG A 3 5.424 3.637 1.846 1.00 0.00 C ATOM 24 CG ARG A 3 5.220 3.026 3.232 1.00 0.00 C ATOM 25 CD ARG A 3 6.523 3.112 4.028 1.00 0.00 C ATOM 26 NE ARG A 3 6.415 2.339 5.259 1.00 0.00 N ATOM 27 CZ ARG A 3 7.494 1.856 5.866 1.00 0.00 C ATOM 28 NH1 ARG A 3 7.371 1.166 6.966 1.00 0.00 N ATOM 29 NH2 ARG A 3 8.678 2.072 5.361 1.00 0.00 N ATOM 0 H ARG A 3 5.276 3.688 -0.972 1.00 0.00 H new ATOM 0 HA ARG A 3 5.997 1.701 1.105 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.379 4.160 1.808 1.00 0.00 H new ATOM 0 HB3 ARG A 3 4.648 4.376 1.648 1.00 0.00 H new ATOM 0 HG2 ARG A 3 4.425 3.553 3.759 1.00 0.00 H new ATOM 0 HG3 ARG A 3 4.907 1.986 3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.350 2.736 3.426 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.746 4.153 4.262 1.00 0.00 H new ATOM 0 HE ARG A 3 5.494 2.166 5.662 1.00 0.00 H new ATOM 0 HH11 ARG A 3 6.446 0.997 7.361 1.00 0.00 H new ATOM 0 HH12 ARG A 3 8.200 0.796 7.431 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.775 2.611 4.501 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.506 1.701 5.827 1.00 0.00 H new ATOM 43 N GLY A 4 3.103 2.225 1.583 1.00 0.00 N ATOM 44 CA GLY A 4 1.714 1.784 1.491 1.00 0.00 C ATOM 45 C GLY A 4 1.137 2.062 0.108 1.00 0.00 C ATOM 46 O GLY A 4 1.617 2.939 -0.611 1.00 0.00 O ATOM 0 H GLY A 4 3.350 2.672 2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.654 0.717 1.705 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.117 2.295 2.246 1.00 0.00 H new ATOM 50 N PHE A 5 0.104 1.308 -0.257 1.00 0.00 N ATOM 51 CA PHE A 5 -0.539 1.476 -1.556 1.00 0.00 C ATOM 52 C PHE A 5 -2.053 1.530 -1.396 1.00 0.00 C ATOM 53 O PHE A 5 -2.638 0.734 -0.663 1.00 0.00 O ATOM 54 CB PHE A 5 -0.164 0.316 -2.480 1.00 0.00 C ATOM 55 CG PHE A 5 1.191 0.577 -3.092 1.00 0.00 C ATOM 56 CD1 PHE A 5 2.350 0.192 -2.411 1.00 0.00 C ATOM 57 CD2 PHE A 5 1.286 1.205 -4.339 1.00 0.00 C ATOM 58 CE1 PHE A 5 3.608 0.434 -2.977 1.00 0.00 C ATOM 59 CE2 PHE A 5 2.542 1.449 -4.905 1.00 0.00 C ATOM 60 CZ PHE A 5 3.704 1.063 -4.225 1.00 0.00 C ATOM 0 H PHE A 5 -0.304 0.577 0.326 1.00 0.00 H new ATOM 0 HA PHE A 5 -0.195 2.413 -1.993 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.148 -0.619 -1.919 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -0.913 0.205 -3.264 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.275 -0.292 -1.448 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.390 1.501 -4.864 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.503 0.136 -2.452 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.616 1.935 -5.867 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.673 1.250 -4.663 1.00 0.00 H new ATOM 70 N ARG A 6 -2.684 2.474 -2.088 1.00 0.00 N ATOM 71 CA ARG A 6 -4.130 2.618 -2.013 1.00 0.00 C ATOM 72 C ARG A 6 -4.817 1.526 -2.829 1.00 0.00 C ATOM 73 O ARG A 6 -5.032 1.674 -4.033 1.00 0.00 O ATOM 74 CB ARG A 6 -4.544 4.000 -2.527 1.00 0.00 C ATOM 75 CG ARG A 6 -5.232 4.777 -1.403 1.00 0.00 C ATOM 76 CD ARG A 6 -5.610 6.173 -1.904 1.00 0.00 C ATOM 77 NE ARG A 6 -4.530 7.116 -1.633 1.00 0.00 N ATOM 78 CZ ARG A 6 -4.763 8.423 -1.555 1.00 0.00 C ATOM 79 NH1 ARG A 6 -3.780 9.247 -1.312 1.00 0.00 N ATOM 80 NH2 ARG A 6 -5.974 8.880 -1.720 1.00 0.00 N ATOM 0 H ARG A 6 -2.220 3.144 -2.701 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.439 2.519 -0.972 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.669 4.546 -2.878 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.218 3.897 -3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.123 4.244 -1.071 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.568 4.855 -0.542 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.814 6.140 -2.974 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.525 6.507 -1.415 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.581 6.767 -1.501 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.834 8.888 -1.182 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.958 10.250 -1.252 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -6.741 8.235 -1.909 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.153 9.882 -1.660 1.00 0.00 H new ATOM 94 N PHE A 7 -5.148 0.425 -2.162 1.00 0.00 N ATOM 95 CA PHE A 7 -5.802 -0.697 -2.816 1.00 0.00 C ATOM 96 C PHE A 7 -7.154 -0.977 -2.151 1.00 0.00 C ATOM 97 O PHE A 7 -7.242 -1.776 -1.217 1.00 0.00 O ATOM 98 CB PHE A 7 -4.902 -1.930 -2.710 1.00 0.00 C ATOM 99 CG PHE A 7 -4.373 -2.286 -4.078 1.00 0.00 C ATOM 100 CD1 PHE A 7 -3.036 -2.024 -4.402 1.00 0.00 C ATOM 101 CD2 PHE A 7 -5.219 -2.879 -5.023 1.00 0.00 C ATOM 102 CE1 PHE A 7 -2.545 -2.355 -5.670 1.00 0.00 C ATOM 103 CE2 PHE A 7 -4.728 -3.209 -6.293 1.00 0.00 C ATOM 104 CZ PHE A 7 -3.391 -2.948 -6.616 1.00 0.00 C ATOM 0 H PHE A 7 -4.972 0.288 -1.167 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.973 -0.458 -3.866 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.075 -1.732 -2.029 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.462 -2.768 -2.296 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -2.384 -1.566 -3.673 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.250 -3.082 -4.773 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.514 -2.153 -5.919 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.381 -3.665 -7.023 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.012 -3.204 -7.594 1.00 0.00 H new HETATM 114 N DPR A 8 -8.204 -0.328 -2.591 1.00 0.00 N HETATM 115 CA DPR A 8 -9.555 -0.528 -1.997 1.00 0.00 C HETATM 116 CB DPR A 8 -10.490 0.238 -2.935 1.00 0.00 C HETATM 117 CG DPR A 8 -9.632 1.259 -3.600 1.00 0.00 C HETATM 118 CD DPR A 8 -8.227 0.660 -3.681 1.00 0.00 C HETATM 119 C DPR A 8 -9.617 0.034 -0.576 1.00 0.00 C HETATM 120 O DPR A 8 -8.872 0.955 -0.241 1.00 0.00 O HETATM 0 HG3 DPR A 8 -10.011 1.496 -4.594 1.00 0.00 H new HETATM 0 HG2 DPR A 8 -9.625 2.189 -3.032 1.00 0.00 H new HETATM 0 HD3 DPR A 8 -7.459 1.422 -3.547 1.00 0.00 H new HETATM 0 HD2 DPR A 8 -8.047 0.192 -4.649 1.00 0.00 H new HETATM 0 HB3 DPR A 8 -10.946 -0.429 -3.667 1.00 0.00 H new HETATM 0 HB2 DPR A 8 -11.303 0.708 -2.382 1.00 0.00 H new HETATM 0 HA DPR A 8 -9.823 -1.581 -1.910 1.00 0.00 H new ATOM 128 N PRO A 9 -10.471 -0.493 0.266 1.00 0.00 N ATOM 129 CA PRO A 9 -10.591 -0.015 1.666 1.00 0.00 C ATOM 130 C PRO A 9 -9.484 -0.587 2.547 1.00 0.00 C ATOM 131 O PRO A 9 -9.630 -0.682 3.766 1.00 0.00 O ATOM 132 CB PRO A 9 -11.968 -0.517 2.100 1.00 0.00 C ATOM 133 CG PRO A 9 -12.239 -1.725 1.265 1.00 0.00 C ATOM 134 CD PRO A 9 -11.408 -1.591 -0.015 1.00 0.00 C ATOM 0 HA PRO A 9 -10.491 1.067 1.753 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.978 -0.764 3.161 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.730 0.246 1.944 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.970 -2.633 1.804 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.300 -1.798 1.028 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.878 -2.516 -0.243 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.038 -1.364 -0.875 1.00 0.00 H new ATOM 142 N LYS A 10 -8.373 -0.960 1.915 1.00 0.00 N ATOM 143 CA LYS A 10 -7.235 -1.517 2.644 1.00 0.00 C ATOM 144 C LYS A 10 -5.931 -0.929 2.111 1.00 0.00 C ATOM 145 O LYS A 10 -5.807 -0.648 0.920 1.00 0.00 O ATOM 146 CB LYS A 10 -7.191 -3.048 2.502 1.00 0.00 C ATOM 147 CG LYS A 10 -8.607 -3.652 2.492 1.00 0.00 C ATOM 148 CD LYS A 10 -8.534 -5.111 2.943 1.00 0.00 C ATOM 149 CE LYS A 10 -9.667 -5.905 2.288 1.00 0.00 C ATOM 150 NZ LYS A 10 -9.320 -6.188 0.867 1.00 0.00 N ATOM 0 H LYS A 10 -8.236 -0.888 0.907 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.352 -1.260 3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.673 -3.315 1.581 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.617 -3.475 3.325 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.261 -3.086 3.155 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.035 -3.589 1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.570 -5.540 2.669 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.613 -5.172 4.028 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.829 -6.839 2.826 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.598 -5.341 2.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.915 -6.963 0.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.483 -5.336 0.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.319 -6.463 0.802 1.00 0.00 H new ATOM 164 N ILE A 11 -4.962 -0.751 3.007 1.00 0.00 N ATOM 165 CA ILE A 11 -3.664 -0.199 2.629 1.00 0.00 C ATOM 166 C ILE A 11 -2.568 -1.244 2.821 1.00 0.00 C ATOM 167 O ILE A 11 -2.461 -1.853 3.886 1.00 0.00 O ATOM 168 CB ILE A 11 -3.357 1.037 3.482 1.00 0.00 C ATOM 169 CG1 ILE A 11 -4.031 2.266 2.859 1.00 0.00 C ATOM 170 CG2 ILE A 11 -1.843 1.257 3.558 1.00 0.00 C ATOM 171 CD1 ILE A 11 -3.106 2.906 1.818 1.00 0.00 C ATOM 0 H ILE A 11 -5.051 -0.980 3.997 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.697 0.087 1.578 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.742 0.884 4.490 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.972 1.976 2.391 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.272 2.991 3.637 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.633 2.137 4.166 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.371 0.384 4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.446 1.407 2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.596 3.777 1.383 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.177 3.214 2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.887 2.183 1.032 1.00 0.00 H new ATOM 183 N ILE A 12 -1.757 -1.449 1.786 1.00 0.00 N ATOM 184 CA ILE A 12 -0.677 -2.426 1.859 1.00 0.00 C ATOM 185 C ILE A 12 0.596 -1.877 1.222 1.00 0.00 C ATOM 186 O ILE A 12 0.544 -1.004 0.356 1.00 0.00 O ATOM 187 CB ILE A 12 -1.080 -3.717 1.143 1.00 0.00 C ATOM 188 CG1 ILE A 12 -2.600 -3.760 0.973 1.00 0.00 C ATOM 189 CG2 ILE A 12 -0.628 -4.921 1.972 1.00 0.00 C ATOM 190 CD1 ILE A 12 -3.007 -5.103 0.364 1.00 0.00 C ATOM 0 H ILE A 12 -1.827 -0.956 0.896 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.486 -2.636 2.912 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.606 -3.748 0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.089 -3.623 1.938 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.928 -2.943 0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.914 -5.841 1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.455 -4.894 2.092 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.102 -4.886 2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.090 -5.134 0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.529 -5.221 -0.609 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.692 -5.912 1.023 1.00 0.00 H new ATOM 202 N PHE A 13 1.737 -2.401 1.658 1.00 0.00 N ATOM 203 CA PHE A 13 3.020 -1.968 1.134 1.00 0.00 C ATOM 204 C PHE A 13 3.522 -2.942 0.071 1.00 0.00 C ATOM 205 O PHE A 13 3.340 -4.154 0.195 1.00 0.00 O ATOM 206 CB PHE A 13 4.027 -1.895 2.276 1.00 0.00 C ATOM 207 CG PHE A 13 3.470 -2.605 3.487 1.00 0.00 C ATOM 208 CD1 PHE A 13 2.701 -1.899 4.420 1.00 0.00 C ATOM 209 CD2 PHE A 13 3.723 -3.969 3.678 1.00 0.00 C ATOM 210 CE1 PHE A 13 2.186 -2.556 5.543 1.00 0.00 C ATOM 211 CE2 PHE A 13 3.207 -4.625 4.801 1.00 0.00 C ATOM 212 CZ PHE A 13 2.439 -3.920 5.734 1.00 0.00 C ATOM 0 H PHE A 13 1.796 -3.126 2.373 1.00 0.00 H new ATOM 0 HA PHE A 13 2.903 -0.986 0.676 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.969 -2.353 1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.242 -0.854 2.519 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.505 -0.847 4.273 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.316 -4.514 2.959 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.593 -2.011 6.263 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.402 -5.677 4.948 1.00 0.00 H new ATOM 0 HZ PHE A 13 2.042 -4.427 6.601 1.00 0.00 H new ATOM 222 N ASN A 14 4.154 -2.404 -0.968 1.00 0.00 N ATOM 223 CA ASN A 14 4.681 -3.232 -2.048 1.00 0.00 C ATOM 224 C ASN A 14 6.206 -3.249 -2.012 1.00 0.00 C ATOM 225 O ASN A 14 6.810 -3.458 -0.960 1.00 0.00 O ATOM 226 CB ASN A 14 4.204 -2.695 -3.399 1.00 0.00 C ATOM 227 CG ASN A 14 4.348 -3.774 -4.470 1.00 0.00 C ATOM 228 OD1 ASN A 14 5.464 -4.150 -4.827 1.00 0.00 O ATOM 229 ND2 ASN A 14 3.279 -4.299 -5.007 1.00 0.00 N ATOM 0 H ASN A 14 4.313 -1.403 -1.085 1.00 0.00 H new ATOM 0 HA ASN A 14 4.314 -4.250 -1.914 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.163 -2.379 -3.327 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.786 -1.816 -3.676 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.369 -5.021 -5.722 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.354 -3.987 -4.711 1.00 0.00 H new ATOM 236 N GLU A 15 6.823 -3.026 -3.167 1.00 0.00 N ATOM 237 CA GLU A 15 8.279 -3.018 -3.256 1.00 0.00 C ATOM 238 C GLU A 15 8.739 -2.154 -4.427 1.00 0.00 C ATOM 239 O GLU A 15 9.800 -2.390 -5.005 1.00 0.00 O ATOM 240 CB GLU A 15 8.801 -4.444 -3.436 1.00 0.00 C ATOM 241 CG GLU A 15 10.283 -4.498 -3.062 1.00 0.00 C ATOM 242 CD GLU A 15 11.027 -5.430 -4.013 1.00 0.00 C ATOM 243 OE1 GLU A 15 10.510 -6.501 -4.287 1.00 0.00 O ATOM 244 OE2 GLU A 15 12.103 -5.059 -4.453 1.00 0.00 O ATOM 0 H GLU A 15 6.342 -2.849 -4.049 1.00 0.00 H new ATOM 0 HA GLU A 15 8.678 -2.601 -2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.232 -5.132 -2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.664 -4.765 -4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.715 -3.498 -3.108 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.395 -4.847 -2.036 1.00 0.00 H new ATOM 251 N ARG A 16 7.933 -1.156 -4.772 1.00 0.00 N ATOM 252 CA ARG A 16 8.269 -0.264 -5.877 1.00 0.00 C ATOM 253 C ARG A 16 9.075 0.930 -5.374 1.00 0.00 C ATOM 254 O ARG A 16 9.015 2.018 -5.946 1.00 0.00 O ATOM 255 CB ARG A 16 6.987 0.229 -6.556 1.00 0.00 C ATOM 256 CG ARG A 16 7.288 0.667 -7.994 1.00 0.00 C ATOM 257 CD ARG A 16 5.981 1.048 -8.692 1.00 0.00 C ATOM 258 NE ARG A 16 6.216 2.137 -9.645 1.00 0.00 N ATOM 259 CZ ARG A 16 5.230 2.607 -10.403 1.00 0.00 C ATOM 260 NH1 ARG A 16 5.460 3.577 -11.246 1.00 0.00 N ATOM 261 NH2 ARG A 16 4.033 2.098 -10.306 1.00 0.00 N ATOM 0 H ARG A 16 7.050 -0.945 -4.308 1.00 0.00 H new ATOM 0 HA ARG A 16 8.872 -0.816 -6.598 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.239 -0.564 -6.558 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.566 1.063 -5.994 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.973 1.515 -7.992 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.781 -0.140 -8.536 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.572 0.182 -9.212 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.241 1.355 -7.953 1.00 0.00 H new ATOM 0 HE ARG A 16 7.149 2.540 -9.728 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.396 3.974 -11.323 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.703 3.937 -11.827 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.853 1.339 -9.648 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.277 2.459 -10.888 1.00 0.00 H new TER 275 ARG A 16