USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 136 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+ -176:sc= -0.551 (180deg=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.148 -2.867 2.266 1.00 0.00 N ATOM 2 CA VAL A 1 6.292 -2.412 3.390 1.00 0.00 C ATOM 3 C VAL A 1 6.596 -0.964 3.765 1.00 0.00 C ATOM 4 O VAL A 1 5.689 -0.192 4.074 1.00 0.00 O ATOM 5 CB VAL A 1 6.473 -3.308 4.631 1.00 0.00 C ATOM 6 CG1 VAL A 1 6.027 -4.731 4.329 1.00 0.00 C ATOM 7 CG2 VAL A 1 7.919 -3.288 5.106 1.00 0.00 C ATOM 0 H1 VAL A 1 6.873 -3.831 1.988 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.028 -2.226 1.456 1.00 0.00 H new ATOM 0 H3 VAL A 1 8.144 -2.864 2.565 1.00 0.00 H new ATOM 0 HA VAL A 1 5.259 -2.482 3.050 1.00 0.00 H new ATOM 0 HB VAL A 1 5.848 -2.913 5.432 1.00 0.00 H new ATOM 0 HG11 VAL A 1 6.161 -5.350 5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 1 4.975 -4.730 4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 1 6.625 -5.134 3.511 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.023 -3.927 5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 1 8.568 -3.654 4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.203 -2.268 5.365 1.00 0.00 H new ATOM 19 N ARG A 2 7.877 -0.603 3.733 1.00 0.00 N ATOM 20 CA ARG A 2 8.299 0.754 4.066 1.00 0.00 C ATOM 21 C ARG A 2 7.575 1.772 3.189 1.00 0.00 C ATOM 22 O ARG A 2 7.189 2.846 3.654 1.00 0.00 O ATOM 23 CB ARG A 2 9.822 0.888 3.925 1.00 0.00 C ATOM 24 CG ARG A 2 10.369 0.461 2.569 1.00 0.00 C ATOM 25 CD ARG A 2 10.299 1.585 1.546 1.00 0.00 C ATOM 26 NE ARG A 2 11.160 2.710 1.903 1.00 0.00 N ATOM 27 CZ ARG A 2 12.487 2.633 1.976 1.00 0.00 C ATOM 28 NH1 ARG A 2 13.105 1.490 1.706 1.00 0.00 N ATOM 29 NH2 ARG A 2 13.197 3.700 2.314 1.00 0.00 N ATOM 0 H ARG A 2 8.640 -1.231 3.480 1.00 0.00 H new ATOM 0 HA ARG A 2 8.034 0.958 5.104 1.00 0.00 H new ATOM 0 HB2 ARG A 2 10.101 1.926 4.105 1.00 0.00 H new ATOM 0 HB3 ARG A 2 10.300 0.290 4.701 1.00 0.00 H new ATOM 0 HG2 ARG A 2 11.404 0.137 2.681 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.804 -0.397 2.204 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.591 1.203 0.568 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.269 1.931 1.459 1.00 0.00 H new ATOM 0 HE ARG A 2 10.719 3.606 2.108 1.00 0.00 H new ATOM 0 HH11 ARG A 2 12.563 0.667 1.442 1.00 0.00 H new ATOM 0 HH12 ARG A 2 14.122 1.434 1.763 1.00 0.00 H new ATOM 0 HH21 ARG A 2 12.727 4.582 2.519 1.00 0.00 H new ATOM 0 HH22 ARG A 2 14.214 3.639 2.370 1.00 0.00 H new ATOM 43 N ARG A 3 7.379 1.416 1.924 1.00 0.00 N ATOM 44 CA ARG A 3 6.685 2.281 0.979 1.00 0.00 C ATOM 45 C ARG A 3 5.303 1.696 0.672 1.00 0.00 C ATOM 46 O ARG A 3 4.673 1.111 1.552 1.00 0.00 O ATOM 47 CB ARG A 3 7.524 2.435 -0.296 1.00 0.00 C ATOM 48 CG ARG A 3 7.713 1.137 -1.065 1.00 0.00 C ATOM 49 CD ARG A 3 8.603 1.333 -2.282 1.00 0.00 C ATOM 50 NE ARG A 3 9.936 1.802 -1.914 1.00 0.00 N ATOM 51 CZ ARG A 3 10.907 2.032 -2.792 1.00 0.00 C ATOM 52 NH1 ARG A 3 10.695 1.838 -4.087 1.00 0.00 N ATOM 53 NH2 ARG A 3 12.092 2.459 -2.376 1.00 0.00 N ATOM 0 H ARG A 3 7.693 0.530 1.529 1.00 0.00 H new ATOM 0 HA ARG A 3 6.548 3.272 1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.047 3.167 -0.948 1.00 0.00 H new ATOM 0 HB3 ARG A 3 8.502 2.835 -0.030 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.152 0.385 -0.409 1.00 0.00 H new ATOM 0 HG3 ARG A 3 6.742 0.756 -1.381 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.687 0.392 -2.825 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.140 2.051 -2.958 1.00 0.00 H new ATOM 0 HE ARG A 3 10.133 1.962 -0.926 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.785 1.511 -4.411 1.00 0.00 H new ATOM 0 HH12 ARG A 3 11.442 2.015 -4.758 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.259 2.611 -1.381 1.00 0.00 H new ATOM 0 HH22 ARG A 3 12.836 2.635 -3.051 1.00 0.00 H new ATOM 67 N PHE A 4 4.836 1.832 -0.568 1.00 0.00 N ATOM 68 CA PHE A 4 3.538 1.284 -0.941 1.00 0.00 C ATOM 69 C PHE A 4 3.664 -0.217 -1.184 1.00 0.00 C ATOM 70 O PHE A 4 4.595 -0.669 -1.851 1.00 0.00 O ATOM 71 CB PHE A 4 2.974 1.960 -2.193 1.00 0.00 C ATOM 72 CG PHE A 4 3.209 3.448 -2.263 1.00 0.00 C ATOM 73 CD1 PHE A 4 4.454 3.955 -2.606 1.00 0.00 C ATOM 74 CD2 PHE A 4 2.184 4.339 -1.987 1.00 0.00 C ATOM 75 CE1 PHE A 4 4.670 5.319 -2.672 1.00 0.00 C ATOM 76 CE2 PHE A 4 2.394 5.704 -2.052 1.00 0.00 C ATOM 77 CZ PHE A 4 3.638 6.194 -2.395 1.00 0.00 C ATOM 0 H PHE A 4 5.331 2.311 -1.321 1.00 0.00 H new ATOM 0 HA PHE A 4 2.848 1.473 -0.118 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.417 1.494 -3.073 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.901 1.772 -2.239 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.265 3.276 -2.824 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.208 3.962 -1.718 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.645 5.700 -2.940 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.585 6.386 -1.835 1.00 0.00 H new ATOM 0 HZ PHE A 4 3.804 7.260 -2.447 1.00 0.00 H new ATOM 87 N PRO A 5 2.730 -1.009 -0.643 1.00 0.00 N ATOM 88 CA PRO A 5 2.739 -2.457 -0.799 1.00 0.00 C ATOM 89 C PRO A 5 2.159 -2.902 -2.142 1.00 0.00 C ATOM 90 O PRO A 5 2.821 -2.804 -3.175 1.00 0.00 O ATOM 91 CB PRO A 5 1.881 -2.940 0.371 1.00 0.00 C ATOM 92 CG PRO A 5 0.952 -1.811 0.679 1.00 0.00 C ATOM 93 CD PRO A 5 1.591 -0.544 0.161 1.00 0.00 C ATOM 0 HA PRO A 5 3.748 -2.870 -0.793 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.328 -3.842 0.106 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.498 -3.187 1.235 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.017 -1.972 0.207 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.776 -1.741 1.752 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.891 0.036 -0.440 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.918 0.099 0.978 1.00 0.00 H new ATOM 101 N TRP A 6 0.924 -3.395 -2.117 1.00 0.00 N ATOM 102 CA TRP A 6 0.250 -3.863 -3.322 1.00 0.00 C ATOM 103 C TRP A 6 -1.211 -4.167 -3.014 1.00 0.00 C ATOM 104 O TRP A 6 -2.100 -3.932 -3.834 1.00 0.00 O ATOM 105 CB TRP A 6 0.956 -5.108 -3.869 1.00 0.00 C ATOM 106 CG TRP A 6 1.092 -6.206 -2.858 1.00 0.00 C ATOM 107 CD1 TRP A 6 1.922 -6.221 -1.773 1.00 0.00 C ATOM 108 CD2 TRP A 6 0.394 -7.457 -2.846 1.00 0.00 C ATOM 109 NE1 TRP A 6 1.775 -7.399 -1.081 1.00 0.00 N ATOM 110 CE2 TRP A 6 0.844 -8.176 -1.721 1.00 0.00 C ATOM 111 CE3 TRP A 6 -0.571 -8.038 -3.674 1.00 0.00 C ATOM 112 CZ2 TRP A 6 0.363 -9.444 -1.406 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -1.048 -9.298 -3.359 1.00 0.00 C ATOM 114 CH2 TRP A 6 -0.581 -9.988 -2.234 1.00 0.00 C ATOM 0 H TRP A 6 0.367 -3.481 -1.267 1.00 0.00 H new ATOM 0 HA TRP A 6 0.290 -3.082 -4.081 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.402 -5.483 -4.729 1.00 0.00 H new ATOM 0 HB3 TRP A 6 1.947 -4.828 -4.226 1.00 0.00 H new ATOM 0 HD1 TRP A 6 2.596 -5.423 -1.499 1.00 0.00 H new ATOM 0 HE1 TRP A 6 2.277 -7.654 -0.230 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -0.937 -7.513 -4.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 0.722 -9.979 -0.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -1.793 -9.757 -3.992 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -0.974 -10.970 -2.015 1.00 0.00 H new ATOM 125 N TRP A 7 -1.440 -4.687 -1.816 1.00 0.00 N ATOM 126 CA TRP A 7 -2.778 -5.032 -1.350 1.00 0.00 C ATOM 127 C TRP A 7 -3.550 -3.796 -0.899 1.00 0.00 C ATOM 128 O TRP A 7 -4.665 -3.912 -0.390 1.00 0.00 O ATOM 129 CB TRP A 7 -2.665 -6.013 -0.177 1.00 0.00 C ATOM 130 CG TRP A 7 -1.721 -5.543 0.901 1.00 0.00 C ATOM 131 CD1 TRP A 7 -0.532 -6.119 1.249 1.00 0.00 C ATOM 132 CD2 TRP A 7 -1.883 -4.409 1.774 1.00 0.00 C ATOM 133 NE1 TRP A 7 0.060 -5.408 2.266 1.00 0.00 N ATOM 134 CE2 TRP A 7 -0.750 -4.357 2.607 1.00 0.00 C ATOM 135 CE3 TRP A 7 -2.869 -3.431 1.930 1.00 0.00 C ATOM 136 CZ2 TRP A 7 -0.581 -3.367 3.574 1.00 0.00 C ATOM 137 CZ3 TRP A 7 -2.701 -2.453 2.885 1.00 0.00 C ATOM 138 CH2 TRP A 7 -1.567 -2.425 3.695 1.00 0.00 C ATOM 0 H TRP A 7 -0.703 -4.882 -1.138 1.00 0.00 H new ATOM 0 HA TRP A 7 -3.321 -5.487 -2.179 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -3.653 -6.167 0.256 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.327 -6.979 -0.551 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.117 -7.005 0.791 1.00 0.00 H new ATOM 0 HE1 TRP A 7 0.958 -5.628 2.697 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -3.752 -3.442 1.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 0.296 -3.344 4.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.461 -1.695 3.008 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -1.464 -1.644 4.434 1.00 0.00 H new ATOM 149 N TRP A 8 -2.934 -2.621 -1.038 1.00 0.00 N ATOM 150 CA TRP A 8 -3.545 -1.372 -0.594 1.00 0.00 C ATOM 151 C TRP A 8 -4.876 -1.075 -1.276 1.00 0.00 C ATOM 152 O TRP A 8 -5.694 -1.970 -1.487 1.00 0.00 O ATOM 153 CB TRP A 8 -2.560 -0.212 -0.770 1.00 0.00 C ATOM 154 CG TRP A 8 -1.786 -0.249 -2.051 1.00 0.00 C ATOM 155 CD1 TRP A 8 -0.569 -0.824 -2.232 1.00 0.00 C ATOM 156 CD2 TRP A 8 -2.141 0.343 -3.307 1.00 0.00 C ATOM 157 NE1 TRP A 8 -0.150 -0.656 -3.527 1.00 0.00 N ATOM 158 CE2 TRP A 8 -1.096 0.061 -4.207 1.00 0.00 C ATOM 159 CE3 TRP A 8 -3.239 1.074 -3.763 1.00 0.00 C ATOM 160 CZ2 TRP A 8 -1.118 0.485 -5.532 1.00 0.00 C ATOM 161 CZ3 TRP A 8 -3.259 1.497 -5.077 1.00 0.00 C ATOM 162 CH2 TRP A 8 -2.206 1.201 -5.947 1.00 0.00 C ATOM 0 H TRP A 8 -2.010 -2.511 -1.456 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.776 -1.490 0.465 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.110 0.727 -0.719 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.859 -0.216 0.065 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.011 -1.340 -1.465 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.724 -1.008 -3.919 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.059 1.305 -3.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.306 0.257 -6.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.103 2.066 -5.439 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.253 1.545 -6.970 1.00 0.00 H new ATOM 173 N ALA A 9 -5.101 0.201 -1.571 1.00 0.00 N ATOM 174 CA ALA A 9 -6.346 0.646 -2.176 1.00 0.00 C ATOM 175 C ALA A 9 -7.467 0.551 -1.148 1.00 0.00 C ATOM 176 O ALA A 9 -8.606 0.210 -1.469 1.00 0.00 O ATOM 177 CB ALA A 9 -6.678 -0.162 -3.425 1.00 0.00 C ATOM 0 H ALA A 9 -4.429 0.949 -1.398 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.234 1.684 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.615 0.197 -3.852 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.878 -0.047 -4.156 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.779 -1.215 -3.161 1.00 0.00 H new ATOM 183 N PHE A 10 -7.114 0.863 0.097 1.00 0.00 N ATOM 184 CA PHE A 10 -8.051 0.828 1.214 1.00 0.00 C ATOM 185 C PHE A 10 -7.624 1.838 2.271 1.00 0.00 C ATOM 186 O PHE A 10 -8.239 2.893 2.424 1.00 0.00 O ATOM 187 CB PHE A 10 -8.089 -0.575 1.828 1.00 0.00 C ATOM 188 CG PHE A 10 -9.072 -0.711 2.958 1.00 0.00 C ATOM 189 CD1 PHE A 10 -10.391 -0.314 2.800 1.00 0.00 C ATOM 190 CD2 PHE A 10 -8.676 -1.236 4.178 1.00 0.00 C ATOM 191 CE1 PHE A 10 -11.295 -0.438 3.837 1.00 0.00 C ATOM 192 CE2 PHE A 10 -9.576 -1.362 5.219 1.00 0.00 C ATOM 193 CZ PHE A 10 -10.887 -0.962 5.048 1.00 0.00 C ATOM 0 H PHE A 10 -6.170 1.147 0.358 1.00 0.00 H new ATOM 0 HA PHE A 10 -9.046 1.081 0.849 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -8.340 -1.296 1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.093 -0.831 2.191 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -10.715 0.097 1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.652 -1.550 4.317 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -12.320 -0.126 3.701 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.255 -1.773 6.165 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.592 -1.059 5.860 1.00 0.00 H new ATOM 203 N LEU A 11 -6.542 1.518 2.973 1.00 0.00 N ATOM 204 CA LEU A 11 -5.998 2.405 3.990 1.00 0.00 C ATOM 205 C LEU A 11 -5.009 3.367 3.345 1.00 0.00 C ATOM 206 O LEU A 11 -4.844 4.506 3.782 1.00 0.00 O ATOM 207 CB LEU A 11 -5.334 1.599 5.118 1.00 0.00 C ATOM 208 CG LEU A 11 -4.306 0.545 4.681 1.00 0.00 C ATOM 209 CD1 LEU A 11 -2.997 1.194 4.256 1.00 0.00 C ATOM 210 CD2 LEU A 11 -4.061 -0.453 5.803 1.00 0.00 C ATOM 0 H LEU A 11 -6.024 0.647 2.854 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.809 2.981 4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.842 2.298 5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.116 1.099 5.689 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.714 0.015 3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.290 0.422 3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.180 1.868 3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.582 1.758 5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.330 -1.194 5.478 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.681 0.071 6.680 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.996 -0.953 6.056 1.00 0.00 H new ATOM 222 N ARG A 12 -4.361 2.881 2.292 1.00 0.00 N ATOM 223 CA ARG A 12 -3.383 3.659 1.547 1.00 0.00 C ATOM 224 C ARG A 12 -4.069 4.713 0.679 1.00 0.00 C ATOM 225 O ARG A 12 -3.780 5.905 0.791 1.00 0.00 O ATOM 226 CB ARG A 12 -2.533 2.709 0.698 1.00 0.00 C ATOM 227 CG ARG A 12 -1.680 3.389 -0.351 1.00 0.00 C ATOM 228 CD ARG A 12 -0.434 2.580 -0.660 1.00 0.00 C ATOM 229 NE ARG A 12 0.349 2.306 0.543 1.00 0.00 N ATOM 230 CZ ARG A 12 0.929 3.249 1.282 1.00 0.00 C ATOM 231 NH1 ARG A 12 0.838 4.525 0.930 1.00 0.00 N ATOM 232 NH2 ARG A 12 1.605 2.915 2.373 1.00 0.00 N ATOM 0 H ARG A 12 -4.500 1.937 1.932 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.736 4.191 2.245 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.883 2.136 1.359 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.193 1.996 0.204 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.262 3.526 -1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.394 4.382 -0.003 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.719 1.639 -1.130 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.182 3.121 -1.379 1.00 0.00 H new ATOM 0 HE ARG A 12 0.458 1.334 0.834 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.322 4.787 0.090 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.284 5.244 1.499 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.681 1.935 2.646 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.049 3.638 2.939 1.00 0.00 H new ATOM 246 N ARG A 13 -4.990 4.270 -0.171 1.00 0.00 N ATOM 247 CA ARG A 13 -5.731 5.180 -1.041 1.00 0.00 C ATOM 248 C ARG A 13 -7.040 5.610 -0.388 1.00 0.00 C ATOM 249 O ARG A 13 -7.008 6.563 0.420 1.00 0.00 O ATOM 250 CB ARG A 13 -6.011 4.526 -2.397 1.00 0.00 C ATOM 251 CG ARG A 13 -4.932 4.785 -3.440 1.00 0.00 C ATOM 252 CD ARG A 13 -3.561 4.333 -2.963 1.00 0.00 C ATOM 253 NE ARG A 13 -2.516 4.605 -3.948 1.00 0.00 N ATOM 254 CZ ARG A 13 -2.162 5.828 -4.335 1.00 0.00 C ATOM 255 NH1 ARG A 13 -2.760 6.893 -3.817 1.00 0.00 N ATOM 256 NH2 ARG A 13 -1.205 5.986 -5.239 1.00 0.00 N ATOM 0 H ARG A 13 -5.242 3.287 -0.277 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.115 6.065 -1.200 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.116 3.450 -2.256 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.965 4.892 -2.776 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.186 4.262 -4.362 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.902 5.849 -3.675 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.318 4.840 -2.029 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.587 3.265 -2.749 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.029 3.811 -4.363 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.495 6.776 -3.119 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.485 7.828 -4.117 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.740 5.170 -5.638 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.934 6.923 -5.536 1.00 0.00 H new HETATM 270 N NH2 A 14 -7.517 4.904 0.630 1.00 0.00 N TER 273 NH2 A 14