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+ -163:sc= -0.0891 (180deg=-0.516) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.499 5.428 -3.043 1.00 0.00 N ATOM 2 CA VAL A 1 5.858 4.091 -3.131 1.00 0.00 C ATOM 3 C VAL A 1 6.855 3.035 -3.600 1.00 0.00 C ATOM 4 O VAL A 1 7.619 3.261 -4.539 1.00 0.00 O ATOM 5 CB VAL A 1 4.657 4.108 -4.098 1.00 0.00 C ATOM 6 CG1 VAL A 1 3.987 2.743 -4.148 1.00 0.00 C ATOM 7 CG2 VAL A 1 3.660 5.182 -3.691 1.00 0.00 C ATOM 0 H1 VAL A 1 5.909 6.058 -2.463 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.439 5.334 -2.607 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.599 5.829 -3.998 1.00 0.00 H new ATOM 0 HA VAL A 1 5.508 3.840 -2.130 1.00 0.00 H new ATOM 0 HB VAL A 1 5.025 4.342 -5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 1 3.142 2.777 -4.836 1.00 0.00 H new ATOM 0 HG12 VAL A 1 4.705 1.998 -4.491 1.00 0.00 H new ATOM 0 HG13 VAL A 1 3.633 2.475 -3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.819 5.179 -4.385 1.00 0.00 H new ATOM 0 HG22 VAL A 1 3.299 4.980 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.146 6.157 -3.714 1.00 0.00 H new ATOM 19 N ARG A 2 6.835 1.881 -2.943 1.00 0.00 N ATOM 20 CA ARG A 2 7.728 0.781 -3.288 1.00 0.00 C ATOM 21 C ARG A 2 7.256 -0.495 -2.597 1.00 0.00 C ATOM 22 O ARG A 2 6.557 -1.312 -3.197 1.00 0.00 O ATOM 23 CB ARG A 2 9.166 1.114 -2.869 1.00 0.00 C ATOM 24 CG ARG A 2 10.249 0.434 -3.704 1.00 0.00 C ATOM 25 CD ARG A 2 10.190 -1.085 -3.617 1.00 0.00 C ATOM 26 NE ARG A 2 9.079 -1.641 -4.385 1.00 0.00 N ATOM 27 CZ ARG A 2 8.814 -2.941 -4.467 1.00 0.00 C ATOM 28 NH1 ARG A 2 9.579 -3.819 -3.831 1.00 0.00 N ATOM 29 NH2 ARG A 2 7.782 -3.364 -5.184 1.00 0.00 N ATOM 0 H ARG A 2 6.207 1.682 -2.164 1.00 0.00 H new ATOM 0 HA ARG A 2 7.711 0.629 -4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 2 9.306 2.193 -2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.300 0.831 -1.825 1.00 0.00 H new ATOM 0 HG2 ARG A 2 10.144 0.739 -4.745 1.00 0.00 H new ATOM 0 HG3 ARG A 2 11.228 0.775 -3.369 1.00 0.00 H new ATOM 0 HD2 ARG A 2 11.127 -1.504 -3.982 1.00 0.00 H new ATOM 0 HD3 ARG A 2 10.093 -1.384 -2.573 1.00 0.00 H new ATOM 0 HE ARG A 2 8.471 -0.994 -4.888 1.00 0.00 H new ATOM 0 HH11 ARG A 2 10.373 -3.497 -3.277 1.00 0.00 H new ATOM 0 HH12 ARG A 2 9.373 -4.816 -3.896 1.00 0.00 H new ATOM 0 HH21 ARG A 2 7.191 -2.692 -5.673 1.00 0.00 H new ATOM 0 HH22 ARG A 2 7.579 -4.362 -5.247 1.00 0.00 H new ATOM 43 N ARG A 3 7.621 -0.650 -1.328 1.00 0.00 N ATOM 44 CA ARG A 3 7.208 -1.816 -0.558 1.00 0.00 C ATOM 45 C ARG A 3 5.724 -1.709 -0.228 1.00 0.00 C ATOM 46 O ARG A 3 4.910 -2.504 -0.697 1.00 0.00 O ATOM 47 CB ARG A 3 8.031 -1.921 0.729 1.00 0.00 C ATOM 48 CG ARG A 3 9.529 -2.011 0.486 1.00 0.00 C ATOM 49 CD ARG A 3 10.324 -2.024 1.787 1.00 0.00 C ATOM 50 NE ARG A 3 10.032 -3.194 2.616 1.00 0.00 N ATOM 51 CZ ARG A 3 9.004 -3.275 3.459 1.00 0.00 C ATOM 52 NH1 ARG A 3 8.202 -2.235 3.640 1.00 0.00 N ATOM 53 NH2 ARG A 3 8.791 -4.394 4.136 1.00 0.00 N ATOM 0 H ARG A 3 8.199 0.015 -0.814 1.00 0.00 H new ATOM 0 HA ARG A 3 7.379 -2.715 -1.150 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.824 -1.053 1.355 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.708 -2.800 1.287 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.750 -2.915 -0.082 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.848 -1.166 -0.124 1.00 0.00 H new ATOM 0 HD2 ARG A 3 11.389 -2.004 1.557 1.00 0.00 H new ATOM 0 HD3 ARG A 3 10.102 -1.119 2.352 1.00 0.00 H new ATOM 0 HE ARG A 3 10.655 -3.998 2.544 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.371 -1.367 3.132 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.416 -2.303 4.287 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.414 -5.192 4.011 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.004 -4.457 4.782 1.00 0.00 H new ATOM 67 N PHE A 4 5.383 -0.692 0.562 1.00 0.00 N ATOM 68 CA PHE A 4 3.999 -0.429 0.945 1.00 0.00 C ATOM 69 C PHE A 4 3.842 1.051 1.278 1.00 0.00 C ATOM 70 O PHE A 4 4.648 1.619 2.015 1.00 0.00 O ATOM 71 CB PHE A 4 3.552 -1.257 2.158 1.00 0.00 C ATOM 72 CG PHE A 4 4.053 -2.678 2.185 1.00 0.00 C ATOM 73 CD1 PHE A 4 5.351 -2.963 2.580 1.00 0.00 C ATOM 74 CD2 PHE A 4 3.227 -3.727 1.816 1.00 0.00 C ATOM 75 CE1 PHE A 4 5.814 -4.265 2.606 1.00 0.00 C ATOM 76 CE2 PHE A 4 3.684 -5.031 1.841 1.00 0.00 C ATOM 77 CZ PHE A 4 4.979 -5.300 2.236 1.00 0.00 C ATOM 0 H PHE A 4 6.055 -0.031 0.952 1.00 0.00 H new ATOM 0 HA PHE A 4 3.372 -0.713 0.100 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.887 -0.753 3.065 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.462 -1.272 2.186 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.009 -2.157 2.871 1.00 0.00 H new ATOM 0 HD2 PHE A 4 2.213 -3.523 1.505 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.828 -4.472 2.915 1.00 0.00 H new ATOM 0 HE2 PHE A 4 3.028 -5.839 1.552 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.338 -6.318 2.256 1.00 0.00 H new ATOM 87 N PRO A 5 2.802 1.695 0.735 1.00 0.00 N ATOM 88 CA PRO A 5 2.543 3.108 0.972 1.00 0.00 C ATOM 89 C PRO A 5 1.841 3.355 2.308 1.00 0.00 C ATOM 90 O PRO A 5 2.465 3.287 3.367 1.00 0.00 O ATOM 91 CB PRO A 5 1.660 3.509 -0.211 1.00 0.00 C ATOM 92 CG PRO A 5 0.995 2.252 -0.672 1.00 0.00 C ATOM 93 CD PRO A 5 1.800 1.086 -0.148 1.00 0.00 C ATOM 0 HA PRO A 5 3.461 3.693 1.039 1.00 0.00 H new ATOM 0 HB2 PRO A 5 0.922 4.254 0.087 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.255 3.952 -1.010 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.030 2.205 -0.304 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.945 2.223 -1.760 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.170 0.381 0.394 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.271 0.533 -0.960 1.00 0.00 H new ATOM 101 N TRP A 6 0.546 3.649 2.250 1.00 0.00 N ATOM 102 CA TRP A 6 -0.242 3.915 3.448 1.00 0.00 C ATOM 103 C TRP A 6 -1.723 3.956 3.093 1.00 0.00 C ATOM 104 O TRP A 6 -2.574 3.482 3.845 1.00 0.00 O ATOM 105 CB TRP A 6 0.193 5.242 4.074 1.00 0.00 C ATOM 106 CG TRP A 6 0.141 6.392 3.115 1.00 0.00 C ATOM 107 CD1 TRP A 6 0.976 6.614 2.057 1.00 0.00 C ATOM 108 CD2 TRP A 6 -0.785 7.485 3.132 1.00 0.00 C ATOM 109 NE1 TRP A 6 0.620 7.772 1.410 1.00 0.00 N ATOM 110 CE2 TRP A 6 -0.457 8.326 2.052 1.00 0.00 C ATOM 111 CE3 TRP A 6 -1.862 7.831 3.953 1.00 0.00 C ATOM 112 CZ2 TRP A 6 -1.167 9.492 1.774 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -2.565 8.989 3.677 1.00 0.00 C ATOM 114 CH2 TRP A 6 -2.216 9.806 2.595 1.00 0.00 C ATOM 0 H TRP A 6 0.017 3.709 1.380 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.077 3.117 4.172 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -0.448 5.461 4.928 1.00 0.00 H new ATOM 0 HB3 TRP A 6 1.209 5.141 4.455 1.00 0.00 H new ATOM 0 HD1 TRP A 6 1.796 5.973 1.771 1.00 0.00 H new ATOM 0 HE1 TRP A 6 1.082 8.157 0.586 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -2.140 7.205 4.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -0.899 10.125 0.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -3.397 9.268 4.306 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -2.787 10.703 2.404 1.00 0.00 H new ATOM 125 N TRP A 7 -2.008 4.524 1.929 1.00 0.00 N ATOM 126 CA TRP A 7 -3.370 4.640 1.427 1.00 0.00 C ATOM 127 C TRP A 7 -3.888 3.303 0.910 1.00 0.00 C ATOM 128 O TRP A 7 -4.990 3.232 0.367 1.00 0.00 O ATOM 129 CB TRP A 7 -3.403 5.670 0.292 1.00 0.00 C ATOM 130 CG TRP A 7 -2.355 5.424 -0.762 1.00 0.00 C ATOM 131 CD1 TRP A 7 -1.276 6.214 -1.038 1.00 0.00 C ATOM 132 CD2 TRP A 7 -2.285 4.321 -1.682 1.00 0.00 C ATOM 133 NE1 TRP A 7 -0.533 5.665 -2.057 1.00 0.00 N ATOM 134 CE2 TRP A 7 -1.134 4.504 -2.469 1.00 0.00 C ATOM 135 CE3 TRP A 7 -3.078 3.194 -1.913 1.00 0.00 C ATOM 136 CZ2 TRP A 7 -0.762 3.602 -3.465 1.00 0.00 C ATOM 137 CZ3 TRP A 7 -2.709 2.304 -2.897 1.00 0.00 C ATOM 138 CH2 TRP A 7 -1.561 2.509 -3.661 1.00 0.00 C ATOM 0 H TRP A 7 -1.302 4.917 1.307 1.00 0.00 H new ATOM 0 HA TRP A 7 -4.012 4.959 2.249 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -4.388 5.656 -0.174 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -3.262 6.667 0.710 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -1.040 7.137 -0.529 1.00 0.00 H new ATOM 0 HE1 TRP A 7 0.325 6.058 -2.443 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -3.969 3.023 -1.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 0.125 3.761 -4.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.320 1.432 -3.080 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -1.297 1.790 -4.423 1.00 0.00 H new ATOM 149 N TRP A 8 -3.072 2.253 1.037 1.00 0.00 N ATOM 150 CA TRP A 8 -3.439 0.936 0.536 1.00 0.00 C ATOM 151 C TRP A 8 -4.701 0.388 1.187 1.00 0.00 C ATOM 152 O TRP A 8 -5.659 1.122 1.430 1.00 0.00 O ATOM 153 CB TRP A 8 -2.264 -0.039 0.685 1.00 0.00 C ATOM 154 CG TRP A 8 -1.525 0.074 1.982 1.00 0.00 C ATOM 155 CD1 TRP A 8 -0.423 0.834 2.211 1.00 0.00 C ATOM 156 CD2 TRP A 8 -1.795 -0.620 3.207 1.00 0.00 C ATOM 157 NE1 TRP A 8 -0.004 0.688 3.509 1.00 0.00 N ATOM 158 CE2 TRP A 8 -0.828 -0.203 4.141 1.00 0.00 C ATOM 159 CE3 TRP A 8 -2.763 -1.541 3.611 1.00 0.00 C ATOM 160 CZ2 TRP A 8 -0.802 -0.677 5.449 1.00 0.00 C ATOM 161 CZ3 TRP A 8 -2.735 -2.012 4.908 1.00 0.00 C ATOM 162 CH2 TRP A 8 -1.761 -1.579 5.813 1.00 0.00 C ATOM 0 H TRP A 8 -2.155 2.294 1.483 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.669 1.047 -0.524 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.638 -1.058 0.582 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.564 0.128 -0.133 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.055 1.464 1.476 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.791 1.165 3.933 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.521 -1.879 2.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.051 -0.344 6.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.478 -2.727 5.229 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.767 -1.966 6.821 1.00 0.00 H new ATOM 173 N ALA A 9 -4.714 -0.916 1.424 1.00 0.00 N ATOM 174 CA ALA A 9 -5.874 -1.574 1.996 1.00 0.00 C ATOM 175 C ALA A 9 -7.027 -1.504 1.002 1.00 0.00 C ATOM 176 O ALA A 9 -8.195 -1.390 1.376 1.00 0.00 O ATOM 177 CB ALA A 9 -6.262 -0.947 3.329 1.00 0.00 C ATOM 0 H ALA A 9 -3.930 -1.539 1.227 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.631 -2.618 2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.134 -1.461 3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.431 -1.037 4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.499 0.107 3.180 1.00 0.00 H new ATOM 183 N PHE A 10 -6.666 -1.574 -0.277 1.00 0.00 N ATOM 184 CA PHE A 10 -7.625 -1.523 -1.374 1.00 0.00 C ATOM 185 C PHE A 10 -7.152 -2.434 -2.499 1.00 0.00 C ATOM 186 O PHE A 10 -7.857 -3.354 -2.913 1.00 0.00 O ATOM 187 CB PHE A 10 -7.759 -0.086 -1.891 1.00 0.00 C ATOM 188 CG PHE A 10 -8.808 0.081 -2.956 1.00 0.00 C ATOM 189 CD1 PHE A 10 -10.101 -0.374 -2.751 1.00 0.00 C ATOM 190 CD2 PHE A 10 -8.501 0.696 -4.159 1.00 0.00 C ATOM 191 CE1 PHE A 10 -11.068 -0.219 -3.726 1.00 0.00 C ATOM 192 CE2 PHE A 10 -9.463 0.854 -5.138 1.00 0.00 C ATOM 193 CZ PHE A 10 -10.749 0.395 -4.921 1.00 0.00 C ATOM 0 H PHE A 10 -5.697 -1.668 -0.581 1.00 0.00 H new ATOM 0 HA PHE A 10 -8.598 -1.859 -1.017 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.997 0.571 -1.054 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.797 0.239 -2.288 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -10.356 -0.855 -1.818 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.498 1.056 -4.334 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -12.072 -0.578 -3.554 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.211 1.335 -6.071 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.503 0.516 -5.685 1.00 0.00 H new ATOM 203 N LEU A 11 -5.932 -2.183 -2.960 1.00 0.00 N ATOM 204 CA LEU A 11 -5.321 -2.986 -4.008 1.00 0.00 C ATOM 205 C LEU A 11 -4.195 -3.816 -3.410 1.00 0.00 C ATOM 206 O LEU A 11 -3.923 -4.935 -3.845 1.00 0.00 O ATOM 207 CB LEU A 11 -4.801 -2.098 -5.150 1.00 0.00 C ATOM 208 CG LEU A 11 -3.809 -0.993 -4.756 1.00 0.00 C ATOM 209 CD1 LEU A 11 -2.414 -1.559 -4.538 1.00 0.00 C ATOM 210 CD2 LEU A 11 -3.780 0.093 -5.820 1.00 0.00 C ATOM 0 H LEU A 11 -5.344 -1.422 -2.620 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.073 -3.653 -4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.323 -2.739 -5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.657 -1.631 -5.637 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.145 -0.557 -3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.734 -0.754 -4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.443 -2.301 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.064 -2.029 -5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.073 0.870 -5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.472 -0.339 -6.772 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.774 0.528 -5.923 1.00 0.00 H new ATOM 222 N ARG A 12 -3.553 -3.244 -2.398 1.00 0.00 N ATOM 223 CA ARG A 12 -2.455 -3.897 -1.703 1.00 0.00 C ATOM 224 C ARG A 12 -2.969 -5.030 -0.813 1.00 0.00 C ATOM 225 O ARG A 12 -2.556 -6.180 -0.961 1.00 0.00 O ATOM 226 CB ARG A 12 -1.687 -2.854 -0.887 1.00 0.00 C ATOM 227 CG ARG A 12 -0.773 -3.429 0.172 1.00 0.00 C ATOM 228 CD ARG A 12 0.321 -2.448 0.556 1.00 0.00 C ATOM 229 NE ARG A 12 1.097 -2.007 -0.603 1.00 0.00 N ATOM 230 CZ ARG A 12 1.828 -2.820 -1.362 1.00 0.00 C ATOM 231 NH1 ARG A 12 1.900 -4.115 -1.083 1.00 0.00 N ATOM 232 NH2 ARG A 12 2.494 -2.335 -2.402 1.00 0.00 N ATOM 0 H ARG A 12 -3.780 -2.317 -2.038 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.780 -4.343 -2.433 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.093 -2.245 -1.568 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.404 -2.188 -0.406 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.356 -3.689 1.055 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.323 -4.351 -0.196 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.125 -1.581 1.044 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.987 -2.915 1.281 1.00 0.00 H new ATOM 0 HE ARG A 12 1.077 -1.016 -0.844 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.393 -4.493 -0.283 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.462 -4.732 -1.669 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.446 -1.340 -2.619 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.054 -2.958 -2.984 1.00 0.00 H new ATOM 246 N ARG A 13 -3.885 -4.703 0.096 1.00 0.00 N ATOM 247 CA ARG A 13 -4.467 -5.703 0.989 1.00 0.00 C ATOM 248 C ARG A 13 -5.857 -6.108 0.513 1.00 0.00 C ATOM 249 O ARG A 13 -6.415 -7.072 1.079 1.00 0.00 O ATOM 250 CB ARG A 13 -4.537 -5.183 2.428 1.00 0.00 C ATOM 251 CG ARG A 13 -3.377 -5.639 3.303 1.00 0.00 C ATOM 252 CD ARG A 13 -2.045 -5.100 2.808 1.00 0.00 C ATOM 253 NE ARG A 13 -0.914 -5.635 3.567 1.00 0.00 N ATOM 254 CZ ARG A 13 -0.751 -5.476 4.879 1.00 0.00 C ATOM 255 NH1 ARG A 13 -1.644 -4.799 5.590 1.00 0.00 N ATOM 256 NH2 ARG A 13 0.308 -5.998 5.483 1.00 0.00 N ATOM 0 H ARG A 13 -4.239 -3.757 0.234 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.820 -6.580 0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.560 -4.093 2.410 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.472 -5.514 2.879 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.544 -5.308 4.328 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.343 -6.728 3.322 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.923 -5.350 1.754 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.046 -4.012 2.880 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.205 -6.164 3.059 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.462 -4.397 5.132 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.513 -4.681 6.595 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.997 -6.521 4.943 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.433 -5.877 6.488 1.00 0.00 H new HETATM 270 N NH2 A 14 -6.215 -5.848 -0.739 1.00 0.00 N TER 273 NH2 A 14