USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 134 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+ -117:sc= -0.405 (180deg=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.179 -6.102 3.195 1.00 0.00 N ATOM 2 CA VAL A 1 5.739 -5.337 2.052 1.00 0.00 C ATOM 3 C VAL A 1 6.385 -4.037 2.521 1.00 0.00 C ATOM 4 O VAL A 1 6.007 -3.483 3.552 1.00 0.00 O ATOM 5 CB VAL A 1 4.657 -5.017 1.002 1.00 0.00 C ATOM 6 CG1 VAL A 1 4.093 -6.298 0.408 1.00 0.00 C ATOM 7 CG2 VAL A 1 3.546 -4.171 1.609 1.00 0.00 C ATOM 0 H1 VAL A 1 5.674 -7.013 3.279 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.304 -5.557 4.072 1.00 0.00 H new ATOM 0 H3 VAL A 1 4.166 -6.272 3.035 1.00 0.00 H new ATOM 0 HA VAL A 1 6.499 -5.969 1.593 1.00 0.00 H new ATOM 0 HB VAL A 1 5.121 -4.442 0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 1 3.331 -6.052 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 1 4.894 -6.861 -0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 1 3.649 -6.902 1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.794 -3.958 0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 1 3.084 -4.714 2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 1 3.963 -3.234 1.979 1.00 0.00 H new ATOM 19 N ARG A 2 7.370 -3.568 1.758 1.00 0.00 N ATOM 20 CA ARG A 2 8.090 -2.338 2.082 1.00 0.00 C ATOM 21 C ARG A 2 7.141 -1.132 2.117 1.00 0.00 C ATOM 22 O ARG A 2 6.274 -1.043 2.986 1.00 0.00 O ATOM 23 CB ARG A 2 9.216 -2.113 1.067 1.00 0.00 C ATOM 24 CG ARG A 2 10.146 -0.963 1.418 1.00 0.00 C ATOM 25 CD ARG A 2 11.210 -0.771 0.351 1.00 0.00 C ATOM 26 NE ARG A 2 10.624 -0.487 -0.957 1.00 0.00 N ATOM 27 CZ ARG A 2 11.339 -0.309 -2.063 1.00 0.00 C ATOM 28 NH1 ARG A 2 12.663 -0.393 -2.024 1.00 0.00 N ATOM 29 NH2 ARG A 2 10.730 -0.050 -3.213 1.00 0.00 N ATOM 0 H ARG A 2 7.690 -4.025 0.904 1.00 0.00 H new ATOM 0 HA ARG A 2 8.524 -2.443 3.076 1.00 0.00 H new ATOM 0 HB2 ARG A 2 9.803 -3.028 0.982 1.00 0.00 H new ATOM 0 HB3 ARG A 2 8.776 -1.925 0.088 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.568 -0.045 1.528 1.00 0.00 H new ATOM 0 HG3 ARG A 2 10.622 -1.157 2.379 1.00 0.00 H new ATOM 0 HD2 ARG A 2 11.869 0.048 0.639 1.00 0.00 H new ATOM 0 HD3 ARG A 2 11.825 -1.668 0.286 1.00 0.00 H new ATOM 0 HE ARG A 2 9.608 -0.422 -1.025 1.00 0.00 H new ATOM 0 HH11 ARG A 2 13.135 -0.595 -1.143 1.00 0.00 H new ATOM 0 HH12 ARG A 2 13.208 -0.256 -2.875 1.00 0.00 H new ATOM 0 HH21 ARG A 2 9.713 0.013 -3.248 1.00 0.00 H new ATOM 0 HH22 ARG A 2 11.279 0.087 -4.062 1.00 0.00 H new ATOM 43 N ARG A 3 7.313 -0.203 1.177 1.00 0.00 N ATOM 44 CA ARG A 3 6.475 0.990 1.113 1.00 0.00 C ATOM 45 C ARG A 3 5.007 0.620 0.981 1.00 0.00 C ATOM 46 O ARG A 3 4.146 1.214 1.621 1.00 0.00 O ATOM 47 CB ARG A 3 6.889 1.861 -0.072 1.00 0.00 C ATOM 48 CG ARG A 3 8.338 2.300 -0.016 1.00 0.00 C ATOM 49 CD ARG A 3 8.748 3.051 -1.272 1.00 0.00 C ATOM 50 NE ARG A 3 7.962 4.267 -1.468 1.00 0.00 N ATOM 51 CZ ARG A 3 8.123 5.090 -2.500 1.00 0.00 C ATOM 52 NH1 ARG A 3 9.033 4.828 -3.428 1.00 0.00 N ATOM 53 NH2 ARG A 3 7.372 6.178 -2.603 1.00 0.00 N ATOM 0 H ARG A 3 8.026 -0.255 0.450 1.00 0.00 H new ATOM 0 HA ARG A 3 6.612 1.546 2.040 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.719 1.309 -0.996 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.250 2.744 -0.106 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.492 2.937 0.855 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.978 1.427 0.111 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.805 3.309 -1.210 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.629 2.400 -2.138 1.00 0.00 H new ATOM 0 HE ARG A 3 7.250 4.497 -0.775 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.613 3.992 -3.352 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.153 5.462 -4.218 1.00 0.00 H new ATOM 0 HH21 ARG A 3 6.671 6.383 -1.891 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.495 6.810 -3.394 1.00 0.00 H new ATOM 67 N PHE A 4 4.736 -0.362 0.136 1.00 0.00 N ATOM 68 CA PHE A 4 3.376 -0.827 -0.110 1.00 0.00 C ATOM 69 C PHE A 4 2.591 -0.969 1.179 1.00 0.00 C ATOM 70 O PHE A 4 1.375 -0.824 1.202 1.00 0.00 O ATOM 71 CB PHE A 4 3.421 -2.158 -0.853 1.00 0.00 C ATOM 72 CG PHE A 4 4.083 -2.055 -2.195 1.00 0.00 C ATOM 73 CD1 PHE A 4 4.468 -0.822 -2.692 1.00 0.00 C ATOM 74 CD2 PHE A 4 4.328 -3.184 -2.954 1.00 0.00 C ATOM 75 CE1 PHE A 4 5.083 -0.710 -3.914 1.00 0.00 C ATOM 76 CE2 PHE A 4 4.948 -3.083 -4.183 1.00 0.00 C ATOM 77 CZ PHE A 4 5.328 -1.843 -4.666 1.00 0.00 C ATOM 0 H PHE A 4 5.449 -0.859 -0.398 1.00 0.00 H new ATOM 0 HA PHE A 4 2.865 -0.083 -0.721 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.954 -2.890 -0.246 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.405 -2.531 -0.982 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.281 0.067 -2.108 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.032 -4.154 -2.582 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.375 0.261 -4.287 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.137 -3.971 -4.768 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.814 -1.761 -5.627 1.00 0.00 H new ATOM 87 N ALA A 5 3.290 -1.261 2.248 1.00 0.00 N ATOM 88 CA ALA A 5 2.655 -1.434 3.533 1.00 0.00 C ATOM 89 C ALA A 5 1.794 -0.229 3.920 1.00 0.00 C ATOM 90 O ALA A 5 0.688 -0.396 4.434 1.00 0.00 O ATOM 91 CB ALA A 5 3.715 -1.702 4.579 1.00 0.00 C ATOM 0 H ALA A 5 4.302 -1.384 2.254 1.00 0.00 H new ATOM 0 HA ALA A 5 1.980 -2.287 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.241 -1.833 5.552 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.264 -2.607 4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.405 -0.859 4.622 1.00 0.00 H new ATOM 97 N TRP A 6 2.300 0.982 3.686 1.00 0.00 N ATOM 98 CA TRP A 6 1.556 2.190 4.036 1.00 0.00 C ATOM 99 C TRP A 6 0.618 2.659 2.923 1.00 0.00 C ATOM 100 O TRP A 6 0.176 3.808 2.948 1.00 0.00 O ATOM 101 CB TRP A 6 2.509 3.332 4.414 1.00 0.00 C ATOM 102 CG TRP A 6 3.583 3.562 3.404 1.00 0.00 C ATOM 103 CD1 TRP A 6 4.885 3.210 3.531 1.00 0.00 C ATOM 104 CD2 TRP A 6 3.452 4.170 2.109 1.00 0.00 C ATOM 105 NE1 TRP A 6 5.576 3.556 2.403 1.00 0.00 N ATOM 106 CE2 TRP A 6 4.719 4.145 1.508 1.00 0.00 C ATOM 107 CE3 TRP A 6 2.390 4.726 1.401 1.00 0.00 C ATOM 108 CZ2 TRP A 6 4.946 4.652 0.224 1.00 0.00 C ATOM 109 CZ3 TRP A 6 2.606 5.212 0.121 1.00 0.00 C ATOM 110 CH2 TRP A 6 3.871 5.168 -0.456 1.00 0.00 C ATOM 0 H TRP A 6 3.211 1.151 3.260 1.00 0.00 H new ATOM 0 HA TRP A 6 0.940 1.923 4.895 1.00 0.00 H new ATOM 0 HB2 TRP A 6 1.934 4.250 4.539 1.00 0.00 H new ATOM 0 HB3 TRP A 6 2.967 3.110 5.378 1.00 0.00 H new ATOM 0 HD1 TRP A 6 5.314 2.727 4.396 1.00 0.00 H new ATOM 0 HE1 TRP A 6 6.573 3.401 2.251 1.00 0.00 H new ATOM 0 HE3 TRP A 6 1.407 4.778 1.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 5.932 4.638 -0.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.781 5.631 -0.436 1.00 0.00 H new ATOM 0 HH2 TRP A 6 4.010 5.547 -1.458 1.00 0.00 H new ATOM 121 N TRP A 7 0.308 1.804 1.939 1.00 0.00 N ATOM 122 CA TRP A 7 -0.569 2.249 0.851 1.00 0.00 C ATOM 123 C TRP A 7 -1.079 1.144 -0.051 1.00 0.00 C ATOM 124 O TRP A 7 -2.229 1.175 -0.467 1.00 0.00 O ATOM 125 CB TRP A 7 0.160 3.249 0.010 1.00 0.00 C ATOM 126 CG TRP A 7 1.198 2.618 -0.831 1.00 0.00 C ATOM 127 CD1 TRP A 7 2.470 2.246 -0.501 1.00 0.00 C ATOM 128 CD2 TRP A 7 1.013 2.274 -2.166 1.00 0.00 C ATOM 129 NE1 TRP A 7 3.088 1.714 -1.592 1.00 0.00 N ATOM 130 CE2 TRP A 7 2.201 1.711 -2.625 1.00 0.00 C ATOM 131 CE3 TRP A 7 -0.061 2.398 -3.015 1.00 0.00 C ATOM 132 CZ2 TRP A 7 2.345 1.270 -3.910 1.00 0.00 C ATOM 133 CZ3 TRP A 7 0.070 1.961 -4.289 1.00 0.00 C ATOM 134 CH2 TRP A 7 1.268 1.396 -4.741 1.00 0.00 C ATOM 0 H TRP A 7 0.636 0.840 1.873 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.446 2.676 1.338 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -0.552 3.774 -0.627 1.00 0.00 H new ATOM 0 HB3 TRP A 7 0.622 3.996 0.655 1.00 0.00 H new ATOM 0 HD1 TRP A 7 2.917 2.357 0.476 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.050 1.376 -1.629 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.988 2.834 -2.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 3.273 0.839 -4.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -0.764 2.050 -4.969 1.00 0.00 H new ATOM 0 HH2 TRP A 7 1.342 1.054 -5.763 1.00 0.00 H new ATOM 145 N TRP A 8 -0.245 0.190 -0.391 1.00 0.00 N ATOM 146 CA TRP A 8 -0.695 -0.876 -1.255 1.00 0.00 C ATOM 147 C TRP A 8 -1.984 -1.413 -0.675 1.00 0.00 C ATOM 148 O TRP A 8 -2.877 -1.863 -1.386 1.00 0.00 O ATOM 149 CB TRP A 8 0.354 -1.959 -1.347 1.00 0.00 C ATOM 150 CG TRP A 8 0.048 -3.171 -0.538 1.00 0.00 C ATOM 151 CD1 TRP A 8 0.523 -3.483 0.697 1.00 0.00 C ATOM 152 CD2 TRP A 8 -0.799 -4.238 -0.929 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.036 -4.706 1.091 1.00 0.00 N ATOM 154 CE2 TRP A 8 -0.783 -5.189 0.104 1.00 0.00 C ATOM 155 CE3 TRP A 8 -1.565 -4.473 -2.064 1.00 0.00 C ATOM 156 CZ2 TRP A 8 -1.506 -6.371 0.032 1.00 0.00 C ATOM 157 CZ3 TRP A 8 -2.288 -5.648 -2.139 1.00 0.00 C ATOM 158 CH2 TRP A 8 -2.249 -6.586 -1.095 1.00 0.00 C ATOM 0 H TRP A 8 0.728 0.129 -0.091 1.00 0.00 H new ATOM 0 HA TRP A 8 -0.864 -0.509 -2.267 1.00 0.00 H new ATOM 0 HB2 TRP A 8 0.469 -2.251 -2.391 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.312 -1.551 -1.023 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.185 -2.862 1.282 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.249 -5.176 1.971 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.595 -3.754 -2.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.483 -7.093 0.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.891 -5.848 -3.012 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.819 -7.499 -1.184 1.00 0.00 H new ATOM 169 N ALA A 9 -2.074 -1.313 0.644 1.00 0.00 N ATOM 170 CA ALA A 9 -3.254 -1.728 1.352 1.00 0.00 C ATOM 171 C ALA A 9 -4.316 -0.637 1.188 1.00 0.00 C ATOM 172 O ALA A 9 -5.504 -0.908 1.014 1.00 0.00 O ATOM 173 CB ALA A 9 -2.932 -1.971 2.817 1.00 0.00 C ATOM 0 H ALA A 9 -1.333 -0.944 1.239 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.632 -2.666 0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.835 -2.285 3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.175 -2.751 2.899 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.554 -1.051 3.264 1.00 0.00 H new ATOM 179 N PHE A 10 -3.829 0.608 1.213 1.00 0.00 N ATOM 180 CA PHE A 10 -4.646 1.811 1.035 1.00 0.00 C ATOM 181 C PHE A 10 -5.505 1.695 -0.231 1.00 0.00 C ATOM 182 O PHE A 10 -6.707 1.960 -0.202 1.00 0.00 O ATOM 183 CB PHE A 10 -3.692 3.034 0.956 1.00 0.00 C ATOM 184 CG PHE A 10 -4.072 4.119 -0.019 1.00 0.00 C ATOM 185 CD1 PHE A 10 -5.352 4.653 -0.045 1.00 0.00 C ATOM 186 CD2 PHE A 10 -3.126 4.607 -0.918 1.00 0.00 C ATOM 187 CE1 PHE A 10 -5.686 5.644 -0.947 1.00 0.00 C ATOM 188 CE2 PHE A 10 -3.458 5.599 -1.819 1.00 0.00 C ATOM 189 CZ PHE A 10 -4.740 6.116 -1.836 1.00 0.00 C ATOM 0 H PHE A 10 -2.840 0.810 1.360 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.328 1.933 1.876 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.621 3.477 1.949 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.696 2.674 0.696 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.096 4.290 0.648 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.123 4.205 -0.910 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.687 6.050 -0.957 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.716 5.971 -2.510 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.002 6.888 -2.544 1.00 0.00 H new ATOM 199 N LEU A 11 -4.875 1.306 -1.338 1.00 0.00 N ATOM 200 CA LEU A 11 -5.572 1.164 -2.615 1.00 0.00 C ATOM 201 C LEU A 11 -6.612 0.046 -2.568 1.00 0.00 C ATOM 202 O LEU A 11 -7.674 0.155 -3.180 1.00 0.00 O ATOM 203 CB LEU A 11 -4.563 0.914 -3.746 1.00 0.00 C ATOM 204 CG LEU A 11 -3.684 -0.324 -3.582 1.00 0.00 C ATOM 205 CD1 LEU A 11 -4.413 -1.581 -4.037 1.00 0.00 C ATOM 206 CD2 LEU A 11 -2.380 -0.160 -4.343 1.00 0.00 C ATOM 0 H LEU A 11 -3.880 1.083 -1.376 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.101 2.096 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.110 0.828 -4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.917 1.788 -3.833 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.455 -0.433 -2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.762 -2.446 -3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.316 -1.714 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.684 -1.484 -5.088 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.768 -1.053 -4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.593 -0.017 -5.402 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.842 0.707 -3.960 1.00 0.00 H new ATOM 218 N ARG A 12 -6.298 -1.029 -1.846 1.00 0.00 N ATOM 219 CA ARG A 12 -7.208 -2.165 -1.731 1.00 0.00 C ATOM 220 C ARG A 12 -8.592 -1.696 -1.308 1.00 0.00 C ATOM 221 O ARG A 12 -9.596 -2.037 -1.933 1.00 0.00 O ATOM 222 CB ARG A 12 -6.677 -3.172 -0.711 1.00 0.00 C ATOM 223 CG ARG A 12 -5.244 -3.590 -0.958 1.00 0.00 C ATOM 224 CD ARG A 12 -4.778 -4.650 0.033 1.00 0.00 C ATOM 225 NE ARG A 12 -5.476 -5.925 -0.138 1.00 0.00 N ATOM 226 CZ ARG A 12 -6.673 -6.200 0.378 1.00 0.00 C ATOM 227 NH1 ARG A 12 -7.284 -5.322 1.163 1.00 0.00 N ATOM 228 NH2 ARG A 12 -7.250 -7.367 0.126 1.00 0.00 N ATOM 0 H ARG A 12 -5.423 -1.136 -1.334 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.277 -2.646 -2.707 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.753 -2.740 0.287 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.312 -4.058 -0.724 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.149 -3.976 -1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.595 -2.717 -0.887 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.706 -4.808 -0.087 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.935 -4.287 1.049 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.016 -6.650 -0.688 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.837 -4.430 1.375 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.200 -5.539 1.555 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.777 -8.053 -0.462 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.166 -7.579 0.521 1.00 0.00 H new ATOM 242 N ARG A 13 -8.629 -0.904 -0.246 1.00 0.00 N ATOM 243 CA ARG A 13 -9.879 -0.369 0.270 1.00 0.00 C ATOM 244 C ARG A 13 -10.482 0.627 -0.716 1.00 0.00 C ATOM 245 O ARG A 13 -11.676 0.475 -1.049 1.00 0.00 O ATOM 246 CB ARG A 13 -9.631 0.284 1.636 1.00 0.00 C ATOM 247 CG ARG A 13 -10.831 1.031 2.210 1.00 0.00 C ATOM 248 CD ARG A 13 -10.956 2.436 1.637 1.00 0.00 C ATOM 249 NE ARG A 13 -12.149 3.128 2.121 1.00 0.00 N ATOM 250 CZ ARG A 13 -12.375 3.415 3.400 1.00 0.00 C ATOM 251 NH1 ARG A 13 -11.489 3.076 4.328 1.00 0.00 N ATOM 252 NH2 ARG A 13 -13.487 4.046 3.752 1.00 0.00 N ATOM 0 H ARG A 13 -7.802 -0.617 0.277 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.595 -1.181 0.397 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.328 -0.488 2.343 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.796 0.979 1.546 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.742 0.471 1.998 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.737 1.089 3.294 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.071 3.014 1.902 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.987 2.381 0.549 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.851 3.408 1.436 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.631 2.593 4.062 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.666 3.298 5.308 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.169 4.311 3.042 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.660 4.266 4.733 1.00 0.00 H new HETATM 266 N NH2 A 14 -9.709 1.572 -1.239 1.00 0.00 N TER 269 NH2 A 14