USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 138 hydrogens (2 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 Single : A 1 VAL N :NH3+ 178:sc= -0.261 (180deg=-0.291) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -8.434 -2.045 1.808 1.00 0.00 N ATOM 2 CA VAL A 1 -9.911 -1.931 1.704 1.00 0.00 C ATOM 3 C VAL A 1 -10.321 -0.565 1.160 1.00 0.00 C ATOM 4 O VAL A 1 -11.256 -0.459 0.366 1.00 0.00 O ATOM 5 CB VAL A 1 -10.590 -2.166 3.071 1.00 0.00 C ATOM 6 CG1 VAL A 1 -10.106 -1.153 4.099 1.00 0.00 C ATOM 7 CG2 VAL A 1 -12.104 -2.117 2.933 1.00 0.00 C ATOM 0 H1 VAL A 1 -8.185 -2.970 2.212 1.00 0.00 H new ATOM 0 H2 VAL A 1 -8.011 -1.955 0.862 1.00 0.00 H new ATOM 0 H3 VAL A 1 -8.070 -1.289 2.423 1.00 0.00 H new ATOM 0 HA VAL A 1 -10.243 -2.703 1.010 1.00 0.00 H new ATOM 0 HB VAL A 1 -10.312 -3.160 3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -10.599 -1.339 5.053 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -9.027 -1.248 4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -10.345 -0.146 3.758 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -12.564 -2.285 3.907 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -12.403 -1.140 2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -12.431 -2.891 2.239 1.00 0.00 H new ATOM 19 N ARG A 2 -9.615 0.477 1.590 1.00 0.00 N ATOM 20 CA ARG A 2 -9.904 1.836 1.143 1.00 0.00 C ATOM 21 C ARG A 2 -9.737 1.960 -0.368 1.00 0.00 C ATOM 22 O ARG A 2 -10.671 2.333 -1.079 1.00 0.00 O ATOM 23 CB ARG A 2 -8.969 2.827 1.838 1.00 0.00 C ATOM 24 CG ARG A 2 -9.166 4.269 1.397 1.00 0.00 C ATOM 25 CD ARG A 2 -7.969 5.130 1.770 1.00 0.00 C ATOM 26 NE ARG A 2 -7.696 5.103 3.204 1.00 0.00 N ATOM 27 CZ ARG A 2 -6.633 5.676 3.762 1.00 0.00 C ATOM 28 NH1 ARG A 2 -5.738 6.298 3.006 1.00 0.00 N ATOM 29 NH2 ARG A 2 -6.461 5.622 5.075 1.00 0.00 N ATOM 0 H ARG A 2 -8.839 0.406 2.248 1.00 0.00 H new ATOM 0 HA ARG A 2 -10.938 2.063 1.402 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -9.122 2.762 2.915 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -7.937 2.535 1.644 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -9.320 4.304 0.318 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -10.066 4.673 1.860 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.090 4.782 1.228 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.151 6.158 1.456 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.357 4.618 3.811 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.864 6.338 1.995 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -4.924 6.737 3.436 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.144 5.140 5.659 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -5.645 6.062 5.501 1.00 0.00 H new ATOM 43 N ARG A 3 -8.534 1.647 -0.845 1.00 0.00 N ATOM 44 CA ARG A 3 -8.211 1.722 -2.264 1.00 0.00 C ATOM 45 C ARG A 3 -6.778 1.311 -2.477 1.00 0.00 C ATOM 46 O ARG A 3 -6.069 1.858 -3.323 1.00 0.00 O ATOM 47 CB ARG A 3 -8.436 3.134 -2.797 1.00 0.00 C ATOM 48 CG ARG A 3 -7.658 4.183 -2.029 1.00 0.00 C ATOM 49 CD ARG A 3 -7.660 5.517 -2.749 1.00 0.00 C ATOM 50 NE ARG A 3 -6.956 6.549 -1.992 1.00 0.00 N ATOM 51 CZ ARG A 3 -6.815 7.804 -2.408 1.00 0.00 C ATOM 52 NH1 ARG A 3 -7.319 8.182 -3.575 1.00 0.00 N ATOM 53 NH2 ARG A 3 -6.168 8.683 -1.655 1.00 0.00 N ATOM 0 H ARG A 3 -7.759 1.335 -0.259 1.00 0.00 H new ATOM 0 HA ARG A 3 -8.868 1.044 -2.809 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -8.147 3.171 -3.847 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -9.499 3.370 -2.750 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -8.091 4.304 -1.036 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.631 3.846 -1.890 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.192 5.402 -3.727 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.688 5.833 -2.923 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.549 6.292 -1.093 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.817 7.509 -4.157 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.208 9.146 -3.890 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.779 8.396 -0.757 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.060 9.646 -1.974 1.00 0.00 H new ATOM 67 N PHE A 4 -6.366 0.328 -1.705 1.00 0.00 N ATOM 68 CA PHE A 4 -5.031 -0.187 -1.796 1.00 0.00 C ATOM 69 C PHE A 4 -4.994 -1.644 -1.385 1.00 0.00 C ATOM 70 O PHE A 4 -5.841 -2.123 -0.631 1.00 0.00 O ATOM 71 CB PHE A 4 -4.063 0.609 -0.931 1.00 0.00 C ATOM 72 CG PHE A 4 -4.226 0.389 0.546 1.00 0.00 C ATOM 73 CD1 PHE A 4 -5.289 0.950 1.231 1.00 0.00 C ATOM 74 CD2 PHE A 4 -3.315 -0.393 1.246 1.00 0.00 C ATOM 75 CE1 PHE A 4 -5.443 0.741 2.589 1.00 0.00 C ATOM 76 CE2 PHE A 4 -3.465 -0.606 2.603 1.00 0.00 C ATOM 77 CZ PHE A 4 -4.530 -0.037 3.275 1.00 0.00 C ATOM 0 H PHE A 4 -6.948 -0.129 -1.003 1.00 0.00 H new ATOM 0 HA PHE A 4 -4.719 -0.095 -2.836 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.043 0.349 -1.214 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.192 1.670 -1.144 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.006 1.558 0.699 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -2.481 -0.839 0.724 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.276 1.185 3.113 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.751 -1.216 3.137 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.649 -0.200 4.336 1.00 0.00 H new ATOM 87 N PRO A 5 -3.988 -2.352 -1.877 1.00 0.00 N ATOM 88 CA PRO A 5 -3.780 -3.770 -1.578 1.00 0.00 C ATOM 89 C PRO A 5 -3.414 -3.999 -0.111 1.00 0.00 C ATOM 90 O PRO A 5 -4.189 -4.590 0.641 1.00 0.00 O ATOM 91 CB PRO A 5 -2.608 -4.128 -2.497 1.00 0.00 C ATOM 92 CG PRO A 5 -1.888 -2.850 -2.690 1.00 0.00 C ATOM 93 CD PRO A 5 -2.944 -1.805 -2.756 1.00 0.00 C ATOM 0 HA PRO A 5 -4.672 -4.375 -1.738 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.964 -4.882 -2.045 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.957 -4.535 -3.446 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -1.199 -2.660 -1.867 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.296 -2.868 -3.605 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -2.582 -0.839 -2.404 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.306 -1.658 -3.773 1.00 0.00 H new ATOM 101 N TRP A 6 -2.233 -3.498 0.270 1.00 0.00 N ATOM 102 CA TRP A 6 -1.695 -3.594 1.637 1.00 0.00 C ATOM 103 C TRP A 6 -0.175 -3.578 1.597 1.00 0.00 C ATOM 104 O TRP A 6 0.486 -3.053 2.493 1.00 0.00 O ATOM 105 CB TRP A 6 -2.161 -4.845 2.370 1.00 0.00 C ATOM 106 CG TRP A 6 -1.610 -6.098 1.797 1.00 0.00 C ATOM 107 CD1 TRP A 6 -2.246 -6.937 0.948 1.00 0.00 C ATOM 108 CD2 TRP A 6 -0.317 -6.664 2.041 1.00 0.00 C ATOM 109 NE1 TRP A 6 -1.433 -7.983 0.630 1.00 0.00 N ATOM 110 CE2 TRP A 6 -0.242 -7.848 1.293 1.00 0.00 C ATOM 111 CE3 TRP A 6 0.782 -6.280 2.814 1.00 0.00 C ATOM 112 CZ2 TRP A 6 0.889 -8.661 1.295 1.00 0.00 C ATOM 113 CZ3 TRP A 6 1.906 -7.086 2.818 1.00 0.00 C ATOM 114 CH2 TRP A 6 1.952 -8.266 2.063 1.00 0.00 C ATOM 0 H TRP A 6 -1.612 -3.006 -0.372 1.00 0.00 H new ATOM 0 HA TRP A 6 -2.075 -2.731 2.185 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -1.870 -4.774 3.418 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -3.250 -4.889 2.344 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -3.251 -6.798 0.577 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.673 -8.746 -0.002 1.00 0.00 H new ATOM 0 HE3 TRP A 6 0.754 -5.371 3.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 0.926 -9.570 0.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 2.762 -6.802 3.412 1.00 0.00 H new ATOM 0 HH2 TRP A 6 2.843 -8.876 2.087 1.00 0.00 H new ATOM 125 N TRP A 7 0.359 -4.182 0.544 1.00 0.00 N ATOM 126 CA TRP A 7 1.797 -4.276 0.324 1.00 0.00 C ATOM 127 C TRP A 7 2.301 -3.042 -0.370 1.00 0.00 C ATOM 128 O TRP A 7 3.503 -2.866 -0.565 1.00 0.00 O ATOM 129 CB TRP A 7 2.096 -5.449 -0.590 1.00 0.00 C ATOM 130 CG TRP A 7 1.246 -5.379 -1.809 1.00 0.00 C ATOM 131 CD1 TRP A 7 0.124 -6.078 -2.011 1.00 0.00 C ATOM 132 CD2 TRP A 7 1.396 -4.530 -2.955 1.00 0.00 C ATOM 133 NE1 TRP A 7 -0.438 -5.748 -3.205 1.00 0.00 N ATOM 134 CE2 TRP A 7 0.322 -4.804 -3.811 1.00 0.00 C ATOM 135 CE3 TRP A 7 2.322 -3.578 -3.345 1.00 0.00 C ATOM 136 CZ2 TRP A 7 0.144 -4.159 -5.030 1.00 0.00 C ATOM 137 CZ3 TRP A 7 2.136 -2.933 -4.544 1.00 0.00 C ATOM 138 CH2 TRP A 7 1.063 -3.219 -5.373 1.00 0.00 C ATOM 0 H TRP A 7 -0.197 -4.624 -0.188 1.00 0.00 H new ATOM 0 HA TRP A 7 2.279 -4.395 1.294 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.149 -5.441 -0.871 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.913 -6.386 -0.063 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.280 -6.804 -1.321 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.296 -6.148 -3.584 1.00 0.00 H new ATOM 0 HE3 TRP A 7 3.172 -3.347 -2.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -0.689 -4.395 -5.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 2.848 -2.180 -4.850 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.956 -2.686 -6.306 1.00 0.00 H new ATOM 149 N TRP A 8 1.371 -2.236 -0.841 1.00 0.00 N ATOM 150 CA TRP A 8 1.742 -1.082 -1.607 1.00 0.00 C ATOM 151 C TRP A 8 2.251 0.110 -0.758 1.00 0.00 C ATOM 152 O TRP A 8 3.072 0.887 -1.231 1.00 0.00 O ATOM 153 CB TRP A 8 0.599 -0.649 -2.487 1.00 0.00 C ATOM 154 CG TRP A 8 -0.139 0.378 -1.794 1.00 0.00 C ATOM 155 CD1 TRP A 8 -1.010 0.204 -0.808 1.00 0.00 C ATOM 156 CD2 TRP A 8 0.036 1.747 -1.975 1.00 0.00 C ATOM 157 NE1 TRP A 8 -1.410 1.427 -0.333 1.00 0.00 N ATOM 158 CE2 TRP A 8 -0.782 2.402 -1.071 1.00 0.00 C ATOM 159 CE3 TRP A 8 0.814 2.456 -2.843 1.00 0.00 C ATOM 160 CZ2 TRP A 8 -0.834 3.783 -1.008 1.00 0.00 C ATOM 161 CZ3 TRP A 8 0.777 3.830 -2.803 1.00 0.00 C ATOM 162 CH2 TRP A 8 -0.048 4.487 -1.886 1.00 0.00 C ATOM 0 H TRP A 8 0.368 -2.363 -0.705 1.00 0.00 H new ATOM 0 HA TRP A 8 2.589 -1.392 -2.219 1.00 0.00 H new ATOM 0 HB2 TRP A 8 0.974 -0.272 -3.438 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.049 -1.496 -2.713 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -1.351 -0.751 -0.437 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -2.061 1.586 0.436 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.450 1.945 -3.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.469 4.288 -0.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.388 4.404 -3.483 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.067 5.567 -1.868 1.00 0.00 H new ATOM 173 N PRO A 9 1.816 0.262 0.513 1.00 0.00 N ATOM 174 CA PRO A 9 2.284 1.330 1.381 1.00 0.00 C ATOM 175 C PRO A 9 3.512 0.813 2.067 1.00 0.00 C ATOM 176 O PRO A 9 4.025 1.357 3.045 1.00 0.00 O ATOM 177 CB PRO A 9 1.132 1.512 2.371 1.00 0.00 C ATOM 178 CG PRO A 9 0.381 0.211 2.369 1.00 0.00 C ATOM 179 CD PRO A 9 0.917 -0.629 1.233 1.00 0.00 C ATOM 0 HA PRO A 9 2.534 2.268 0.885 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.506 1.746 3.368 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.486 2.337 2.071 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.509 -0.306 3.320 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.687 0.387 2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.443 -1.509 1.604 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.113 -0.986 0.590 1.00 0.00 H new ATOM 187 N PHE A 10 3.914 -0.305 1.512 1.00 0.00 N ATOM 188 CA PHE A 10 5.021 -1.084 1.946 1.00 0.00 C ATOM 189 C PHE A 10 6.137 -1.023 0.905 1.00 0.00 C ATOM 190 O PHE A 10 7.314 -0.895 1.245 1.00 0.00 O ATOM 191 CB PHE A 10 4.478 -2.495 2.098 1.00 0.00 C ATOM 192 CG PHE A 10 5.497 -3.517 2.474 1.00 0.00 C ATOM 193 CD1 PHE A 10 6.148 -3.466 3.691 1.00 0.00 C ATOM 194 CD2 PHE A 10 5.804 -4.530 1.589 1.00 0.00 C ATOM 195 CE1 PHE A 10 7.093 -4.418 4.019 1.00 0.00 C ATOM 196 CE2 PHE A 10 6.742 -5.481 1.904 1.00 0.00 C ATOM 197 CZ PHE A 10 7.392 -5.429 3.123 1.00 0.00 C ATOM 0 H PHE A 10 3.443 -0.707 0.701 1.00 0.00 H new ATOM 0 HA PHE A 10 5.449 -0.725 2.882 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.693 -2.488 2.855 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.013 -2.794 1.159 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.916 -2.676 4.391 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.299 -4.575 0.635 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.598 -4.373 4.973 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.972 -6.268 1.201 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.131 -6.175 3.375 1.00 0.00 H new ATOM 207 N LEU A 11 5.749 -1.111 -0.372 1.00 0.00 N ATOM 208 CA LEU A 11 6.712 -1.060 -1.472 1.00 0.00 C ATOM 209 C LEU A 11 7.058 0.385 -1.830 1.00 0.00 C ATOM 210 O LEU A 11 8.035 0.636 -2.537 1.00 0.00 O ATOM 211 CB LEU A 11 6.193 -1.817 -2.709 1.00 0.00 C ATOM 212 CG LEU A 11 5.486 -0.983 -3.782 1.00 0.00 C ATOM 213 CD1 LEU A 11 5.343 -1.787 -5.066 1.00 0.00 C ATOM 214 CD2 LEU A 11 4.130 -0.556 -3.281 1.00 0.00 C ATOM 0 H LEU A 11 4.778 -1.217 -0.666 1.00 0.00 H new ATOM 0 HA LEU A 11 7.622 -1.556 -1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.037 -2.325 -3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.503 -2.590 -2.370 1.00 0.00 H new ATOM 0 HG LEU A 11 6.083 -0.096 -3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.839 -1.182 -5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.331 -2.071 -5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.757 -2.685 -4.870 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.630 0.037 -4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.531 -1.438 -3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.248 0.042 -2.378 1.00 0.00 H new ATOM 226 N ARG A 12 6.255 1.333 -1.337 1.00 0.00 N ATOM 227 CA ARG A 12 6.491 2.752 -1.610 1.00 0.00 C ATOM 228 C ARG A 12 7.937 3.125 -1.303 1.00 0.00 C ATOM 229 O ARG A 12 8.669 3.590 -2.177 1.00 0.00 O ATOM 230 CB ARG A 12 5.554 3.633 -0.776 1.00 0.00 C ATOM 231 CG ARG A 12 4.096 3.577 -1.204 1.00 0.00 C ATOM 232 CD ARG A 12 3.227 4.538 -0.398 1.00 0.00 C ATOM 233 NE ARG A 12 3.609 5.939 -0.586 1.00 0.00 N ATOM 234 CZ ARG A 12 4.589 6.545 0.083 1.00 0.00 C ATOM 235 NH1 ARG A 12 5.253 5.900 1.034 1.00 0.00 N ATOM 236 NH2 ARG A 12 4.892 7.808 -0.185 1.00 0.00 N ATOM 0 H ARG A 12 5.442 1.145 -0.751 1.00 0.00 H new ATOM 0 HA ARG A 12 6.291 2.922 -2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.625 3.331 0.269 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.898 4.666 -0.834 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.019 3.821 -2.264 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.721 2.561 -1.083 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.184 4.408 -0.688 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.298 4.285 0.660 1.00 0.00 H new ATOM 0 HE ARG A 12 3.091 6.486 -1.274 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.014 4.934 1.257 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.002 6.371 1.542 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.375 8.315 -0.903 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.642 8.272 0.327 1.00 0.00 H new ATOM 250 N ARG A 13 8.344 2.911 -0.056 1.00 0.00 N ATOM 251 CA ARG A 13 9.706 3.215 0.368 1.00 0.00 C ATOM 252 C ARG A 13 10.645 2.063 0.032 1.00 0.00 C ATOM 253 O ARG A 13 11.020 1.937 -1.153 1.00 0.00 O ATOM 254 CB ARG A 13 9.749 3.506 1.870 1.00 0.00 C ATOM 255 CG ARG A 13 8.975 4.750 2.276 1.00 0.00 C ATOM 256 CD ARG A 13 9.515 5.993 1.584 1.00 0.00 C ATOM 257 NE ARG A 13 8.839 7.210 2.029 1.00 0.00 N ATOM 258 CZ ARG A 13 8.893 7.675 3.274 1.00 0.00 C ATOM 259 NH1 ARG A 13 9.602 7.037 4.196 1.00 0.00 N ATOM 260 NH2 ARG A 13 8.239 8.783 3.597 1.00 0.00 N ATOM 0 H ARG A 13 7.750 2.528 0.679 1.00 0.00 H new ATOM 0 HA ARG A 13 10.038 4.103 -0.171 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.347 2.648 2.409 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.788 3.619 2.179 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.922 4.622 2.027 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.033 4.880 3.357 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.584 6.081 1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.396 5.887 0.506 1.00 0.00 H new ATOM 0 HE ARG A 13 8.294 7.734 1.344 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.109 6.186 3.951 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.641 7.397 5.149 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.695 9.278 2.891 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.280 9.140 4.552 1.00 0.00 H new HETATM 274 N NH2 A 14 10.129 0.927 -0.419 1.00 0.00 N TER 277 NH2 A 14