USER MOD reduce.3.24.130724 H: found=0, std=0, add=143, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 143 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 GLY H1 : A 1 GLY N : A 16 ARG C :(NH2R) USER MOD NoAdj-H: A 1 GLY H2 : A 1 GLY N : A 16 ARG C :(NH2R) USER MOD Single : A 1 GLY N :NH3+ -173:sc= -0.282 (180deg=-0.689) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.28) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.942 3.401 2.220 1.00 0.00 N ATOM 2 CA GLY A 1 6.203 3.065 3.615 1.00 0.00 C ATOM 3 C GLY A 1 5.823 1.618 3.907 1.00 0.00 C ATOM 4 O GLY A 1 4.682 1.209 3.689 1.00 0.00 O ATOM 0 H3 GLY A 1 6.317 4.349 2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.258 3.220 3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.637 3.732 4.266 1.00 0.00 H new ATOM 8 N SER A 2 6.785 0.847 4.403 1.00 0.00 N ATOM 9 CA SER A 2 6.540 -0.554 4.723 1.00 0.00 C ATOM 10 C SER A 2 6.059 -1.311 3.489 1.00 0.00 C ATOM 11 O SER A 2 4.886 -1.672 3.389 1.00 0.00 O ATOM 12 CB SER A 2 5.491 -0.660 5.830 1.00 0.00 C ATOM 13 OG SER A 2 5.535 -1.964 6.395 1.00 0.00 O ATOM 0 H SER A 2 7.735 1.166 4.591 1.00 0.00 H new ATOM 0 HA SER A 2 7.475 -0.998 5.064 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.680 0.089 6.599 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.498 -0.459 5.427 1.00 0.00 H new ATOM 0 HG SER A 2 4.865 -2.035 7.106 1.00 0.00 H new ATOM 19 N ARG A 3 6.972 -1.547 2.552 1.00 0.00 N ATOM 20 CA ARG A 3 6.629 -2.262 1.328 1.00 0.00 C ATOM 21 C ARG A 3 5.561 -1.506 0.544 1.00 0.00 C ATOM 22 O ARG A 3 5.675 -0.300 0.324 1.00 0.00 O ATOM 23 CB ARG A 3 6.117 -3.663 1.666 1.00 0.00 C ATOM 24 CG ARG A 3 7.017 -4.294 2.730 1.00 0.00 C ATOM 25 CD ARG A 3 7.098 -5.804 2.500 1.00 0.00 C ATOM 26 NE ARG A 3 7.856 -6.438 3.573 1.00 0.00 N ATOM 27 CZ ARG A 3 9.166 -6.250 3.691 1.00 0.00 C ATOM 28 NH1 ARG A 3 9.824 -6.830 4.657 1.00 0.00 N ATOM 29 NH2 ARG A 3 9.794 -5.486 2.840 1.00 0.00 N ATOM 0 H ARG A 3 7.948 -1.256 2.616 1.00 0.00 H new ATOM 0 HA ARG A 3 7.527 -2.340 0.715 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.091 -3.609 2.029 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.106 -4.283 0.770 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.014 -3.855 2.686 1.00 0.00 H new ATOM 0 HG3 ARG A 3 6.622 -4.088 3.725 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.094 -6.227 2.455 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.573 -6.008 1.540 1.00 0.00 H new ATOM 0 HE ARG A 3 7.372 -7.035 4.244 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.333 -7.428 5.322 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.830 -6.686 4.748 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.279 -5.033 2.085 1.00 0.00 H new ATOM 0 HH22 ARG A 3 10.800 -5.341 2.930 1.00 0.00 H new ATOM 43 N ARG A 4 4.523 -2.224 0.127 1.00 0.00 N ATOM 44 CA ARG A 4 3.437 -1.612 -0.631 1.00 0.00 C ATOM 45 C ARG A 4 2.559 -0.765 0.281 1.00 0.00 C ATOM 46 O ARG A 4 2.508 -0.990 1.490 1.00 0.00 O ATOM 47 CB ARG A 4 2.581 -2.701 -1.289 1.00 0.00 C ATOM 48 CG ARG A 4 1.938 -3.582 -0.210 1.00 0.00 C ATOM 49 CD ARG A 4 1.155 -4.716 -0.874 1.00 0.00 C ATOM 50 NE ARG A 4 2.050 -5.821 -1.204 1.00 0.00 N ATOM 51 CZ ARG A 4 2.296 -6.796 -0.333 1.00 0.00 C ATOM 52 NH1 ARG A 4 3.094 -7.776 -0.663 1.00 0.00 N ATOM 53 NH2 ARG A 4 1.748 -6.775 0.851 1.00 0.00 N ATOM 0 H ARG A 4 4.411 -3.223 0.299 1.00 0.00 H new ATOM 0 HA ARG A 4 3.872 -0.973 -1.399 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.808 -2.244 -1.907 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.197 -3.311 -1.949 1.00 0.00 H new ATOM 0 HG2 ARG A 4 2.707 -3.992 0.445 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.274 -2.984 0.414 1.00 0.00 H new ATOM 0 HD2 ARG A 4 0.367 -5.064 -0.206 1.00 0.00 H new ATOM 0 HD3 ARG A 4 0.668 -4.351 -1.778 1.00 0.00 H new ATOM 0 HE ARG A 4 2.496 -5.846 -2.121 1.00 0.00 H new ATOM 0 HH11 ARG A 4 3.527 -7.792 -1.586 1.00 0.00 H new ATOM 0 HH12 ARG A 4 3.284 -8.525 0.003 1.00 0.00 H new ATOM 0 HH21 ARG A 4 1.128 -6.009 1.112 1.00 0.00 H new ATOM 0 HH22 ARG A 4 1.940 -7.525 1.515 1.00 0.00 H new ATOM 67 N PHE A 5 1.850 0.194 -0.304 1.00 0.00 N ATOM 68 CA PHE A 5 0.962 1.040 0.477 1.00 0.00 C ATOM 69 C PHE A 5 -0.455 0.472 0.409 1.00 0.00 C ATOM 70 O PHE A 5 -1.446 1.199 0.299 1.00 0.00 O ATOM 71 CB PHE A 5 1.000 2.476 -0.049 1.00 0.00 C ATOM 72 CG PHE A 5 1.181 3.435 1.104 1.00 0.00 C ATOM 73 CD1 PHE A 5 0.175 4.362 1.413 1.00 0.00 C ATOM 74 CD2 PHE A 5 2.357 3.402 1.863 1.00 0.00 C ATOM 75 CE1 PHE A 5 0.347 5.252 2.479 1.00 0.00 C ATOM 76 CE2 PHE A 5 2.528 4.292 2.930 1.00 0.00 C ATOM 77 CZ PHE A 5 1.523 5.217 3.238 1.00 0.00 C ATOM 0 H PHE A 5 1.873 0.402 -1.302 1.00 0.00 H new ATOM 0 HA PHE A 5 1.290 1.057 1.516 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.816 2.591 -0.762 1.00 0.00 H new ATOM 0 HB3 PHE A 5 0.077 2.703 -0.582 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.733 4.389 0.828 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.133 2.689 1.625 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.428 5.966 2.716 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.435 4.265 3.516 1.00 0.00 H new ATOM 0 HZ PHE A 5 1.655 5.904 4.061 1.00 0.00 H new ATOM 87 N ARG A 6 -0.531 -0.851 0.479 1.00 0.00 N ATOM 88 CA ARG A 6 -1.807 -1.544 0.436 1.00 0.00 C ATOM 89 C ARG A 6 -2.539 -1.338 1.758 1.00 0.00 C ATOM 90 O ARG A 6 -2.121 -1.856 2.795 1.00 0.00 O ATOM 91 CB ARG A 6 -1.560 -3.032 0.181 1.00 0.00 C ATOM 92 CG ARG A 6 -2.892 -3.780 0.091 1.00 0.00 C ATOM 93 CD ARG A 6 -2.719 -5.052 -0.751 1.00 0.00 C ATOM 94 NE ARG A 6 -4.015 -5.682 -0.978 1.00 0.00 N ATOM 95 CZ ARG A 6 -4.173 -6.609 -1.917 1.00 0.00 C ATOM 96 NH1 ARG A 6 -5.344 -7.155 -2.103 1.00 0.00 N ATOM 97 NH2 ARG A 6 -3.158 -6.975 -2.651 1.00 0.00 N ATOM 0 H ARG A 6 0.279 -1.464 0.566 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.425 -1.146 -0.369 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.998 -3.162 -0.744 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.953 -3.450 0.984 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.242 -4.039 1.090 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -3.651 -3.138 -0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.253 -4.805 -1.705 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.052 -5.747 -0.241 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.813 -5.406 -0.406 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.137 -6.870 -1.528 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.466 -7.867 -2.823 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.243 -6.550 -2.504 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.280 -7.687 -3.372 1.00 0.00 H new ATOM 111 N PHE A 7 -3.608 -0.546 1.719 1.00 0.00 N ATOM 112 CA PHE A 7 -4.370 -0.234 2.915 1.00 0.00 C ATOM 113 C PHE A 7 -5.794 -0.794 2.839 1.00 0.00 C ATOM 114 O PHE A 7 -6.724 -0.084 2.459 1.00 0.00 O ATOM 115 CB PHE A 7 -4.430 1.283 3.059 1.00 0.00 C ATOM 116 CG PHE A 7 -3.324 1.747 3.973 1.00 0.00 C ATOM 117 CD1 PHE A 7 -2.146 2.279 3.431 1.00 0.00 C ATOM 118 CD2 PHE A 7 -3.472 1.642 5.361 1.00 0.00 C ATOM 119 CE1 PHE A 7 -1.118 2.706 4.280 1.00 0.00 C ATOM 120 CE2 PHE A 7 -2.444 2.070 6.209 1.00 0.00 C ATOM 121 CZ PHE A 7 -1.267 2.601 5.668 1.00 0.00 C ATOM 0 H PHE A 7 -3.963 -0.110 0.868 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.880 -0.691 3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.331 1.756 2.082 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.398 1.583 3.461 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -2.032 2.359 2.360 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.380 1.231 5.778 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.210 3.117 3.864 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.559 1.991 7.280 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.473 2.930 6.322 1.00 0.00 H new ATOM 145 N PRO A 9 -9.378 -1.707 2.203 1.00 0.00 N ATOM 146 CA PRO A 9 -10.257 -1.238 1.094 1.00 0.00 C ATOM 147 C PRO A 9 -9.501 -0.403 0.070 1.00 0.00 C ATOM 148 O PRO A 9 -9.989 -0.163 -1.034 1.00 0.00 O ATOM 149 CB PRO A 9 -11.321 -0.401 1.801 1.00 0.00 C ATOM 150 CG PRO A 9 -11.403 -0.940 3.184 1.00 0.00 C ATOM 151 CD PRO A 9 -10.031 -1.525 3.513 1.00 0.00 C ATOM 0 HA PRO A 9 -10.672 -2.070 0.525 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.048 0.654 1.808 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.282 -0.479 1.293 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.667 -0.153 3.890 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.176 -1.705 3.255 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.457 -0.854 4.152 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.121 -2.472 4.045 1.00 0.00 H new ATOM 159 N LYS A 10 -8.308 0.031 0.449 1.00 0.00 N ATOM 160 CA LYS A 10 -7.478 0.841 -0.439 1.00 0.00 C ATOM 161 C LYS A 10 -6.257 0.056 -0.902 1.00 0.00 C ATOM 162 O LYS A 10 -5.490 -0.456 -0.086 1.00 0.00 O ATOM 163 CB LYS A 10 -7.010 2.112 0.274 1.00 0.00 C ATOM 164 CG LYS A 10 -8.216 2.962 0.682 1.00 0.00 C ATOM 165 CD LYS A 10 -7.909 4.440 0.423 1.00 0.00 C ATOM 166 CE LYS A 10 -6.579 4.815 1.084 1.00 0.00 C ATOM 167 NZ LYS A 10 -6.699 6.164 1.707 1.00 0.00 N ATOM 0 H LYS A 10 -7.892 -0.161 1.360 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.084 1.110 -1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.426 1.849 1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.356 2.686 -0.382 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.097 2.658 0.117 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.444 2.806 1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.859 4.628 -0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.711 5.063 0.819 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.315 4.075 1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.779 4.814 0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.797 6.420 2.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.933 6.865 0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.451 6.149 2.425 1.00 0.00 H new ATOM 181 N ILE A 11 -6.082 -0.021 -2.216 1.00 0.00 N ATOM 182 CA ILE A 11 -4.947 -0.729 -2.795 1.00 0.00 C ATOM 183 C ILE A 11 -4.033 0.263 -3.503 1.00 0.00 C ATOM 184 O ILE A 11 -4.164 0.480 -4.708 1.00 0.00 O ATOM 185 CB ILE A 11 -5.444 -1.786 -3.793 1.00 0.00 C ATOM 186 CG1 ILE A 11 -4.258 -2.500 -4.464 1.00 0.00 C ATOM 187 CG2 ILE A 11 -6.291 -1.106 -4.870 1.00 0.00 C ATOM 188 CD1 ILE A 11 -3.388 -3.174 -3.402 1.00 0.00 C ATOM 0 H ILE A 11 -6.712 0.398 -2.900 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.391 -1.226 -2.000 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.039 -2.522 -3.253 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.623 -3.243 -5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.665 -1.783 -5.032 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.645 -1.853 -5.580 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.145 -0.614 -4.404 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.687 -0.365 -5.394 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.550 -3.678 -3.884 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.010 -2.421 -2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.983 -3.904 -2.854 1.00 0.00 H new ATOM 200 N ILE A 12 -3.107 0.861 -2.752 1.00 0.00 N ATOM 201 CA ILE A 12 -2.180 1.822 -3.336 1.00 0.00 C ATOM 202 C ILE A 12 -0.781 1.220 -3.386 1.00 0.00 C ATOM 203 O ILE A 12 0.124 1.629 -2.655 1.00 0.00 O ATOM 204 CB ILE A 12 -2.182 3.125 -2.529 1.00 0.00 C ATOM 205 CG1 ILE A 12 -3.540 3.820 -2.686 1.00 0.00 C ATOM 206 CG2 ILE A 12 -1.078 4.053 -3.050 1.00 0.00 C ATOM 207 CD1 ILE A 12 -3.616 5.009 -1.726 1.00 0.00 C ATOM 0 H ILE A 12 -2.982 0.698 -1.753 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.499 2.054 -4.352 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.004 2.899 -1.478 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.671 4.159 -3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.347 3.118 -2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.080 4.979 -2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.110 3.563 -2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.258 4.278 -4.101 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.581 5.504 -1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.504 4.657 -0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.818 5.714 -1.956 1.00 0.00 H new ATOM 219 N PHE A 13 -0.622 0.237 -4.265 1.00 0.00 N ATOM 220 CA PHE A 13 0.657 -0.439 -4.436 1.00 0.00 C ATOM 221 C PHE A 13 1.635 0.491 -5.154 1.00 0.00 C ATOM 222 O PHE A 13 2.083 0.214 -6.267 1.00 0.00 O ATOM 223 CB PHE A 13 0.441 -1.731 -5.238 1.00 0.00 C ATOM 224 CG PHE A 13 1.438 -2.794 -4.824 1.00 0.00 C ATOM 225 CD1 PHE A 13 0.981 -4.031 -4.342 1.00 0.00 C ATOM 226 CD2 PHE A 13 2.815 -2.555 -4.935 1.00 0.00 C ATOM 227 CE1 PHE A 13 1.899 -5.021 -3.975 1.00 0.00 C ATOM 228 CE2 PHE A 13 3.731 -3.547 -4.563 1.00 0.00 C ATOM 229 CZ PHE A 13 3.273 -4.780 -4.084 1.00 0.00 C ATOM 0 H PHE A 13 -1.365 -0.110 -4.871 1.00 0.00 H new ATOM 0 HA PHE A 13 1.078 -0.696 -3.464 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.574 -2.097 -5.081 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.544 -1.525 -6.303 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.079 -4.218 -4.255 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.170 -1.605 -5.308 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.546 -5.973 -3.607 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.792 -3.361 -4.646 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.980 -5.545 -3.799 1.00 0.00 H new ATOM 239 N ASN A 14 1.949 1.610 -4.506 1.00 0.00 N ATOM 240 CA ASN A 14 2.862 2.590 -5.082 1.00 0.00 C ATOM 241 C ASN A 14 4.231 2.509 -4.413 1.00 0.00 C ATOM 242 O ASN A 14 5.224 3.004 -4.946 1.00 0.00 O ATOM 243 CB ASN A 14 2.288 3.999 -4.909 1.00 0.00 C ATOM 244 CG ASN A 14 3.403 4.977 -4.554 1.00 0.00 C ATOM 245 OD1 ASN A 14 4.100 5.473 -5.439 1.00 0.00 O ATOM 246 ND2 ASN A 14 3.614 5.286 -3.304 1.00 0.00 N ATOM 0 H ASN A 14 1.586 1.859 -3.586 1.00 0.00 H new ATOM 0 HA ASN A 14 2.978 2.371 -6.143 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.795 4.315 -5.828 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.531 3.998 -4.125 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.358 5.940 -3.059 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.035 4.874 -2.572 1.00 0.00 H new ATOM 253 N GLN A 15 4.276 1.880 -3.243 1.00 0.00 N ATOM 254 CA GLN A 15 5.529 1.740 -2.510 1.00 0.00 C ATOM 255 C GLN A 15 5.967 3.082 -1.933 1.00 0.00 C ATOM 256 O GLN A 15 6.246 4.026 -2.673 1.00 0.00 O ATOM 257 CB GLN A 15 6.620 1.201 -3.438 1.00 0.00 C ATOM 258 CG GLN A 15 7.587 0.327 -2.636 1.00 0.00 C ATOM 259 CD GLN A 15 8.931 0.244 -3.351 1.00 0.00 C ATOM 260 OE1 GLN A 15 9.006 -0.240 -4.480 1.00 0.00 O ATOM 261 NE2 GLN A 15 10.004 0.690 -2.757 1.00 0.00 N ATOM 0 H GLN A 15 3.466 1.462 -2.785 1.00 0.00 H new ATOM 0 HA GLN A 15 5.371 1.040 -1.690 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.172 0.620 -4.244 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.159 2.027 -3.901 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.722 0.742 -1.637 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.169 -0.672 -2.512 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.940 1.091 -1.821 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.907 0.638 -3.229 1.00 0.00 H new ATOM 270 N ARG A 16 6.023 3.160 -0.607 1.00 0.00 N ATOM 271 CA ARG A 16 6.428 4.393 0.059 1.00 0.00 C ATOM 272 C ARG A 16 6.816 4.106 1.507 1.00 0.00 C ATOM 273 O ARG A 16 7.882 4.515 1.967 1.00 0.00 O ATOM 274 CB ARG A 16 5.278 5.412 0.004 1.00 0.00 C ATOM 275 CG ARG A 16 5.245 6.274 1.276 1.00 0.00 C ATOM 276 CD ARG A 16 4.330 7.477 1.046 1.00 0.00 C ATOM 277 NE ARG A 16 2.987 7.029 0.694 1.00 0.00 N ATOM 278 CZ ARG A 16 1.935 7.827 0.844 1.00 0.00 C ATOM 279 NH1 ARG A 16 0.744 7.404 0.522 1.00 0.00 N ATOM 280 NH2 ARG A 16 2.093 9.035 1.314 1.00 0.00 N ATOM 0 H ARG A 16 5.795 2.391 0.023 1.00 0.00 H new ATOM 0 HA ARG A 16 7.295 4.809 -0.454 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.396 6.052 -0.870 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.329 4.889 -0.110 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.885 5.685 2.119 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.251 6.610 1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.292 8.091 1.946 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.733 8.103 0.249 1.00 0.00 H new ATOM 0 HE ARG A 16 2.853 6.087 0.326 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.620 6.460 0.155 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.063 8.017 0.637 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.024 9.366 1.566 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.285 9.647 1.429 1.00 0.00 H new