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+ -162:sc= -0.0388 (180deg=-0.473) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -4.909 -2.865 -6.194 1.00 0.00 N ATOM 2 CA VAL A 1 -4.665 -2.209 -4.884 1.00 0.00 C ATOM 3 C VAL A 1 -5.720 -1.146 -4.596 1.00 0.00 C ATOM 4 O VAL A 1 -5.896 -0.206 -5.371 1.00 0.00 O ATOM 5 CB VAL A 1 -3.271 -1.551 -4.846 1.00 0.00 C ATOM 6 CG1 VAL A 1 -3.029 -0.875 -3.505 1.00 0.00 C ATOM 7 CG2 VAL A 1 -2.189 -2.581 -5.133 1.00 0.00 C ATOM 0 H1 VAL A 1 -4.388 -3.764 -6.234 1.00 0.00 H new ATOM 0 H2 VAL A 1 -5.926 -3.049 -6.306 1.00 0.00 H new ATOM 0 H3 VAL A 1 -4.584 -2.242 -6.960 1.00 0.00 H new ATOM 0 HA VAL A 1 -4.720 -2.986 -4.122 1.00 0.00 H new ATOM 0 HB VAL A 1 -3.232 -0.786 -5.621 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -2.040 -0.418 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -3.785 -0.106 -3.343 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -3.089 -1.616 -2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -1.211 -2.100 -5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -2.229 -3.370 -4.382 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -2.350 -3.012 -6.121 1.00 0.00 H new ATOM 19 N ARG A 2 -6.408 -1.296 -3.469 1.00 0.00 N ATOM 20 CA ARG A 2 -7.437 -0.345 -3.063 1.00 0.00 C ATOM 21 C ARG A 2 -6.799 0.963 -2.601 1.00 0.00 C ATOM 22 O ARG A 2 -5.848 1.447 -3.216 1.00 0.00 O ATOM 23 CB ARG A 2 -8.293 -0.948 -1.945 1.00 0.00 C ATOM 24 CG ARG A 2 -9.147 -2.120 -2.398 1.00 0.00 C ATOM 25 CD ARG A 2 -10.247 -1.667 -3.343 1.00 0.00 C ATOM 26 NE ARG A 2 -11.218 -0.801 -2.677 1.00 0.00 N ATOM 27 CZ ARG A 2 -12.300 -0.308 -3.273 1.00 0.00 C ATOM 28 NH1 ARG A 2 -12.552 -0.594 -4.543 1.00 0.00 N ATOM 29 NH2 ARG A 2 -13.132 0.473 -2.597 1.00 0.00 N ATOM 0 H ARG A 2 -6.271 -2.070 -2.819 1.00 0.00 H new ATOM 0 HA ARG A 2 -8.077 -0.131 -3.919 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.640 -1.276 -1.136 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -8.942 -0.173 -1.537 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.519 -2.860 -2.895 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -9.589 -2.608 -1.529 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.805 -1.135 -4.186 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -10.758 -2.540 -3.749 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.057 -0.561 -1.699 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.915 -1.194 -5.067 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -13.383 -0.214 -4.996 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.942 0.696 -1.620 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.962 0.851 -3.054 1.00 0.00 H new ATOM 43 N ARG A 3 -7.304 1.523 -1.506 1.00 0.00 N ATOM 44 CA ARG A 3 -6.752 2.756 -0.966 1.00 0.00 C ATOM 45 C ARG A 3 -5.340 2.485 -0.478 1.00 0.00 C ATOM 46 O ARG A 3 -4.447 3.326 -0.594 1.00 0.00 O ATOM 47 CB ARG A 3 -7.618 3.284 0.182 1.00 0.00 C ATOM 48 CG ARG A 3 -7.188 4.652 0.688 1.00 0.00 C ATOM 49 CD ARG A 3 -8.075 5.126 1.829 1.00 0.00 C ATOM 50 NE ARG A 3 -7.735 6.478 2.267 1.00 0.00 N ATOM 51 CZ ARG A 3 -7.881 7.561 1.507 1.00 0.00 C ATOM 52 NH1 ARG A 3 -8.364 7.456 0.276 1.00 0.00 N ATOM 53 NH2 ARG A 3 -7.547 8.754 1.980 1.00 0.00 N ATOM 0 H ARG A 3 -8.090 1.143 -0.979 1.00 0.00 H new ATOM 0 HA ARG A 3 -6.736 3.516 -1.747 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -8.655 3.338 -0.151 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -7.585 2.573 1.008 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.152 4.608 1.025 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.227 5.373 -0.129 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -9.117 5.100 1.512 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.981 4.439 2.670 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.364 6.599 3.210 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.626 6.542 -0.093 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.474 8.289 -0.302 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -7.178 8.842 2.927 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.659 9.583 1.397 1.00 0.00 H new ATOM 67 N PHE A 4 -5.155 1.280 0.048 1.00 0.00 N ATOM 68 CA PHE A 4 -3.865 0.833 0.544 1.00 0.00 C ATOM 69 C PHE A 4 -3.911 -0.650 0.903 1.00 0.00 C ATOM 70 O PHE A 4 -4.855 -1.132 1.527 1.00 0.00 O ATOM 71 CB PHE A 4 -3.401 1.675 1.735 1.00 0.00 C ATOM 72 CG PHE A 4 -4.431 1.844 2.821 1.00 0.00 C ATOM 73 CD1 PHE A 4 -4.845 0.769 3.591 1.00 0.00 C ATOM 74 CD2 PHE A 4 -4.992 3.088 3.061 1.00 0.00 C ATOM 75 CE1 PHE A 4 -5.798 0.931 4.579 1.00 0.00 C ATOM 76 CE2 PHE A 4 -5.943 3.257 4.048 1.00 0.00 C ATOM 77 CZ PHE A 4 -6.347 2.177 4.807 1.00 0.00 C ATOM 0 H PHE A 4 -5.898 0.587 0.141 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.135 0.968 -0.254 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.511 1.214 2.164 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.107 2.661 1.374 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.418 -0.208 3.417 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.682 3.936 2.469 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.113 0.085 5.171 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.370 4.233 4.226 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.092 2.307 5.578 1.00 0.00 H new ATOM 87 N PRO A 5 -2.887 -1.394 0.474 1.00 0.00 N ATOM 88 CA PRO A 5 -2.784 -2.828 0.707 1.00 0.00 C ATOM 89 C PRO A 5 -2.191 -3.164 2.076 1.00 0.00 C ATOM 90 O PRO A 5 -2.816 -2.918 3.109 1.00 0.00 O ATOM 91 CB PRO A 5 -1.875 -3.293 -0.432 1.00 0.00 C ATOM 92 CG PRO A 5 -1.034 -2.108 -0.785 1.00 0.00 C ATOM 93 CD PRO A 5 -1.753 -0.876 -0.300 1.00 0.00 C ATOM 0 HA PRO A 5 -3.757 -3.320 0.717 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.256 -4.134 -0.121 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.460 -3.628 -1.289 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.051 -2.185 -0.321 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.875 -2.059 -1.862 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -1.103 -0.254 0.316 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.090 -0.259 -1.133 1.00 0.00 H new ATOM 101 N TRP A 6 -0.991 -3.737 2.078 1.00 0.00 N ATOM 102 CA TRP A 6 -0.320 -4.121 3.314 1.00 0.00 C ATOM 103 C TRP A 6 1.176 -4.296 3.074 1.00 0.00 C ATOM 104 O TRP A 6 2.003 -3.928 3.909 1.00 0.00 O ATOM 105 CB TRP A 6 -0.930 -5.416 3.847 1.00 0.00 C ATOM 106 CG TRP A 6 -0.957 -6.516 2.829 1.00 0.00 C ATOM 107 CD1 TRP A 6 -1.731 -6.571 1.703 1.00 0.00 C ATOM 108 CD2 TRP A 6 -0.185 -7.721 2.845 1.00 0.00 C ATOM 109 NE1 TRP A 6 -1.482 -7.735 1.017 1.00 0.00 N ATOM 110 CE2 TRP A 6 -0.539 -8.459 1.699 1.00 0.00 C ATOM 111 CE3 TRP A 6 0.771 -8.247 3.717 1.00 0.00 C ATOM 112 CZ2 TRP A 6 0.032 -9.695 1.405 1.00 0.00 C ATOM 113 CZ3 TRP A 6 1.336 -9.474 3.424 1.00 0.00 C ATOM 114 CH2 TRP A 6 0.965 -10.186 2.276 1.00 0.00 C ATOM 0 H TRP A 6 -0.461 -3.946 1.232 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.457 -3.333 4.054 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -0.362 -5.747 4.716 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.947 -5.219 4.187 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.435 -5.811 1.398 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.926 -8.015 0.143 1.00 0.00 H new ATOM 0 HE3 TRP A 6 1.063 -7.705 4.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -0.252 -10.246 0.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 2.076 -9.891 4.091 1.00 0.00 H new ATOM 0 HH2 TRP A 6 1.425 -11.142 2.075 1.00 0.00 H new ATOM 125 N TRP A 7 1.506 -4.860 1.920 1.00 0.00 N ATOM 126 CA TRP A 7 2.892 -5.097 1.528 1.00 0.00 C ATOM 127 C TRP A 7 3.565 -3.816 1.044 1.00 0.00 C ATOM 128 O TRP A 7 4.695 -3.852 0.557 1.00 0.00 O ATOM 129 CB TRP A 7 2.922 -6.136 0.401 1.00 0.00 C ATOM 130 CG TRP A 7 1.974 -5.812 -0.725 1.00 0.00 C ATOM 131 CD1 TRP A 7 0.863 -6.522 -1.083 1.00 0.00 C ATOM 132 CD2 TRP A 7 2.051 -4.705 -1.640 1.00 0.00 C ATOM 133 NE1 TRP A 7 0.236 -5.915 -2.147 1.00 0.00 N ATOM 134 CE2 TRP A 7 0.948 -4.801 -2.507 1.00 0.00 C ATOM 135 CE3 TRP A 7 2.939 -3.638 -1.807 1.00 0.00 C ATOM 136 CZ2 TRP A 7 0.714 -3.870 -3.519 1.00 0.00 C ATOM 137 CZ3 TRP A 7 2.708 -2.721 -2.807 1.00 0.00 C ATOM 138 CH2 TRP A 7 1.605 -2.839 -3.651 1.00 0.00 C ATOM 0 H TRP A 7 0.822 -5.167 1.228 1.00 0.00 H new ATOM 0 HA TRP A 7 3.436 -5.458 2.401 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.936 -6.206 0.006 1.00 0.00 H new ATOM 0 HB3 TRP A 7 2.671 -7.115 0.810 1.00 0.00 H new ATOM 0 HD1 TRP A 7 0.526 -7.428 -0.601 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -0.620 -6.241 -2.595 1.00 0.00 H new ATOM 0 HE3 TRP A 7 3.796 -3.535 -1.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -0.139 -3.959 -4.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 3.393 -1.896 -2.940 1.00 0.00 H new ATOM 0 HH2 TRP A 7 1.450 -2.102 -4.425 1.00 0.00 H new ATOM 149 N TRP A 8 2.846 -2.696 1.126 1.00 0.00 N ATOM 150 CA TRP A 8 3.352 -1.419 0.638 1.00 0.00 C ATOM 151 C TRP A 8 4.638 -0.962 1.318 1.00 0.00 C ATOM 152 O TRP A 8 5.540 -1.761 1.568 1.00 0.00 O ATOM 153 CB TRP A 8 2.269 -0.350 0.739 1.00 0.00 C ATOM 154 CG TRP A 8 1.456 -0.409 1.991 1.00 0.00 C ATOM 155 CD1 TRP A 8 0.316 -1.123 2.174 1.00 0.00 C ATOM 156 CD2 TRP A 8 1.679 0.309 3.208 1.00 0.00 C ATOM 157 NE1 TRP A 8 -0.177 -0.917 3.436 1.00 0.00 N ATOM 158 CE2 TRP A 8 0.641 -0.038 4.089 1.00 0.00 C ATOM 159 CE3 TRP A 8 2.657 1.204 3.642 1.00 0.00 C ATOM 160 CZ2 TRP A 8 0.550 0.479 5.372 1.00 0.00 C ATOM 161 CZ3 TRP A 8 2.567 1.720 4.919 1.00 0.00 C ATOM 162 CH2 TRP A 8 1.519 1.356 5.771 1.00 0.00 C ATOM 0 H TRP A 8 1.909 -2.651 1.527 1.00 0.00 H new ATOM 0 HA TRP A 8 3.616 -1.573 -0.408 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.738 0.632 0.671 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.602 -0.445 -0.118 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.138 -1.762 1.431 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.016 -1.348 3.824 1.00 0.00 H new ATOM 0 HE3 TRP A 8 3.470 1.488 2.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.257 0.199 6.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.317 2.415 5.266 1.00 0.00 H new ATOM 0 HH2 TRP A 8 1.475 1.777 6.765 1.00 0.00 H new ATOM 173 N ALA A 9 4.729 0.345 1.555 1.00 0.00 N ATOM 174 CA ALA A 9 5.914 0.949 2.140 1.00 0.00 C ATOM 175 C ALA A 9 7.009 1.020 1.083 1.00 0.00 C ATOM 176 O ALA A 9 8.181 0.758 1.354 1.00 0.00 O ATOM 177 CB ALA A 9 6.387 0.180 3.369 1.00 0.00 C ATOM 0 H ALA A 9 3.984 1.009 1.346 1.00 0.00 H new ATOM 0 HA ALA A 9 5.668 1.957 2.475 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.275 0.661 3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.597 0.174 4.120 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.627 -0.845 3.087 1.00 0.00 H new ATOM 183 N PHE A 10 6.596 1.368 -0.136 1.00 0.00 N ATOM 184 CA PHE A 10 7.506 1.472 -1.271 1.00 0.00 C ATOM 185 C PHE A 10 6.910 2.359 -2.363 1.00 0.00 C ATOM 186 O PHE A 10 7.436 3.430 -2.668 1.00 0.00 O ATOM 187 CB PHE A 10 7.783 0.078 -1.843 1.00 0.00 C ATOM 188 CG PHE A 10 8.679 0.084 -3.050 1.00 0.00 C ATOM 189 CD1 PHE A 10 9.936 0.666 -2.997 1.00 0.00 C ATOM 190 CD2 PHE A 10 8.262 -0.495 -4.237 1.00 0.00 C ATOM 191 CE1 PHE A 10 10.759 0.672 -4.108 1.00 0.00 C ATOM 192 CE2 PHE A 10 9.079 -0.492 -5.351 1.00 0.00 C ATOM 193 CZ PHE A 10 10.329 0.092 -5.287 1.00 0.00 C ATOM 0 H PHE A 10 5.625 1.584 -0.361 1.00 0.00 H new ATOM 0 HA PHE A 10 8.437 1.920 -0.925 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.238 -0.539 -1.068 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.835 -0.391 -2.108 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.276 1.120 -2.078 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.286 -0.954 -4.292 1.00 0.00 H new ATOM 0 HE1 PHE A 10 11.736 1.129 -4.055 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.741 -0.946 -6.271 1.00 0.00 H new ATOM 0 HZ PHE A 10 10.969 0.096 -6.157 1.00 0.00 H new ATOM 203 N LEU A 11 5.805 1.898 -2.943 1.00 0.00 N ATOM 204 CA LEU A 11 5.119 2.634 -4.000 1.00 0.00 C ATOM 205 C LEU A 11 3.929 3.407 -3.443 1.00 0.00 C ATOM 206 O LEU A 11 3.552 4.458 -3.961 1.00 0.00 O ATOM 207 CB LEU A 11 4.665 1.669 -5.107 1.00 0.00 C ATOM 208 CG LEU A 11 3.922 0.404 -4.641 1.00 0.00 C ATOM 209 CD1 LEU A 11 2.529 0.732 -4.119 1.00 0.00 C ATOM 210 CD2 LEU A 11 3.840 -0.603 -5.778 1.00 0.00 C ATOM 0 H LEU A 11 5.364 1.012 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 11 5.817 3.354 -4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.017 2.214 -5.793 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.543 1.361 -5.675 1.00 0.00 H new ATOM 0 HG LEU A 11 4.487 -0.033 -3.818 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.035 -0.185 -3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.609 1.415 -3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.945 1.202 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.313 -1.494 -5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.302 -0.161 -6.617 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.846 -0.876 -6.095 1.00 0.00 H new ATOM 222 N ARG A 12 3.338 2.857 -2.393 1.00 0.00 N ATOM 223 CA ARG A 12 2.176 3.446 -1.746 1.00 0.00 C ATOM 224 C ARG A 12 2.449 4.865 -1.247 1.00 0.00 C ATOM 225 O ARG A 12 1.751 5.802 -1.636 1.00 0.00 O ATOM 226 CB ARG A 12 1.736 2.513 -0.618 1.00 0.00 C ATOM 227 CG ARG A 12 0.931 3.154 0.492 1.00 0.00 C ATOM 228 CD ARG A 12 -0.157 2.220 0.968 1.00 0.00 C ATOM 229 NE ARG A 12 -0.481 2.408 2.370 1.00 0.00 N ATOM 230 CZ ARG A 12 -0.933 3.547 2.894 1.00 0.00 C ATOM 231 NH1 ARG A 12 -1.120 4.612 2.126 1.00 0.00 N ATOM 232 NH2 ARG A 12 -1.204 3.618 4.190 1.00 0.00 N ATOM 0 H ARG A 12 3.652 1.986 -1.964 1.00 0.00 H new ATOM 0 HA ARG A 12 1.369 3.548 -2.471 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.145 1.705 -1.050 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.625 2.059 -0.180 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.588 3.410 1.324 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.489 4.085 0.137 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.053 2.377 0.368 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.158 1.189 0.807 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.354 1.614 2.997 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.918 4.563 1.127 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.466 5.480 2.534 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.066 2.801 4.785 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.550 4.489 4.592 1.00 0.00 H new ATOM 246 N ARG A 13 3.463 5.034 -0.404 1.00 0.00 N ATOM 247 CA ARG A 13 3.797 6.361 0.103 1.00 0.00 C ATOM 248 C ARG A 13 4.758 7.076 -0.839 1.00 0.00 C ATOM 249 O ARG A 13 4.894 8.311 -0.714 1.00 0.00 O ATOM 250 CB ARG A 13 4.401 6.286 1.506 1.00 0.00 C ATOM 251 CG ARG A 13 3.423 5.823 2.573 1.00 0.00 C ATOM 252 CD ARG A 13 3.307 4.311 2.604 1.00 0.00 C ATOM 253 NE ARG A 13 4.577 3.682 2.954 1.00 0.00 N ATOM 254 CZ ARG A 13 5.178 3.837 4.132 1.00 0.00 C ATOM 255 NH1 ARG A 13 4.607 4.566 5.082 1.00 0.00 N ATOM 256 NH2 ARG A 13 6.347 3.257 4.365 1.00 0.00 N ATOM 0 H ARG A 13 4.060 4.281 -0.061 1.00 0.00 H new ATOM 0 HA ARG A 13 2.869 6.931 0.159 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.253 5.606 1.488 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.783 7.269 1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.750 6.184 3.548 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.443 6.260 2.383 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.544 4.019 3.326 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.978 3.951 1.629 1.00 0.00 H new ATOM 0 HE ARG A 13 5.029 3.091 2.257 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.705 5.010 4.911 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.070 4.683 5.983 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.788 2.690 3.641 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.805 3.378 5.268 1.00 0.00 H new HETATM 270 N NH2 A 14 5.480 6.364 -1.696 1.00 0.00 N TER 273 NH2 A 14