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+ 170:sc= -0.0231 (180deg=-0.153) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.558 -5.436 -1.248 1.00 0.00 N ATOM 2 CA VAL A 1 6.506 -4.519 -0.740 1.00 0.00 C ATOM 3 C VAL A 1 7.065 -3.604 0.352 1.00 0.00 C ATOM 4 O VAL A 1 6.467 -3.428 1.415 1.00 0.00 O ATOM 5 CB VAL A 1 5.295 -5.311 -0.199 1.00 0.00 C ATOM 6 CG1 VAL A 1 5.691 -6.160 1.000 1.00 0.00 C ATOM 7 CG2 VAL A 1 4.148 -4.373 0.147 1.00 0.00 C ATOM 0 H1 VAL A 1 7.125 -6.156 -1.860 1.00 0.00 H new ATOM 0 H2 VAL A 1 8.258 -4.893 -1.794 1.00 0.00 H new ATOM 0 H3 VAL A 1 8.030 -5.901 -0.446 1.00 0.00 H new ATOM 0 HA VAL A 1 6.171 -3.903 -1.575 1.00 0.00 H new ATOM 0 HB VAL A 1 4.952 -5.985 -0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 1 4.821 -6.707 1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 1 6.467 -6.866 0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 1 6.069 -5.515 1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 1 3.306 -4.952 0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 1 4.474 -3.665 0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 1 3.841 -3.829 -0.746 1.00 0.00 H new ATOM 19 N ARG A 2 8.226 -3.021 0.077 1.00 0.00 N ATOM 20 CA ARG A 2 8.877 -2.126 1.026 1.00 0.00 C ATOM 21 C ARG A 2 7.994 -0.924 1.350 1.00 0.00 C ATOM 22 O ARG A 2 7.909 -0.499 2.503 1.00 0.00 O ATOM 23 CB ARG A 2 10.216 -1.644 0.465 1.00 0.00 C ATOM 24 CG ARG A 2 10.952 -0.687 1.388 1.00 0.00 C ATOM 25 CD ARG A 2 12.236 -0.175 0.756 1.00 0.00 C ATOM 26 NE ARG A 2 12.941 0.759 1.630 1.00 0.00 N ATOM 27 CZ ARG A 2 14.078 1.365 1.298 1.00 0.00 C ATOM 28 NH1 ARG A 2 14.631 1.143 0.114 1.00 0.00 N ATOM 29 NH2 ARG A 2 14.661 2.197 2.151 1.00 0.00 N ATOM 0 H ARG A 2 8.736 -3.152 -0.796 1.00 0.00 H new ATOM 0 HA ARG A 2 9.048 -2.684 1.946 1.00 0.00 H new ATOM 0 HB2 ARG A 2 10.851 -2.508 0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 2 10.044 -1.152 -0.492 1.00 0.00 H new ATOM 0 HG2 ARG A 2 10.304 0.155 1.631 1.00 0.00 H new ATOM 0 HG3 ARG A 2 11.184 -1.191 2.326 1.00 0.00 H new ATOM 0 HD2 ARG A 2 12.888 -1.018 0.525 1.00 0.00 H new ATOM 0 HD3 ARG A 2 12.004 0.317 -0.189 1.00 0.00 H new ATOM 0 HE ARG A 2 12.539 0.958 2.546 1.00 0.00 H new ATOM 0 HH11 ARG A 2 14.185 0.506 -0.546 1.00 0.00 H new ATOM 0 HH12 ARG A 2 15.503 1.609 -0.137 1.00 0.00 H new ATOM 0 HH21 ARG A 2 14.238 2.373 3.062 1.00 0.00 H new ATOM 0 HH22 ARG A 2 15.533 2.661 1.896 1.00 0.00 H new ATOM 43 N ARG A 3 7.350 -0.371 0.326 1.00 0.00 N ATOM 44 CA ARG A 3 6.490 0.794 0.507 1.00 0.00 C ATOM 45 C ARG A 3 5.009 0.438 0.423 1.00 0.00 C ATOM 46 O ARG A 3 4.201 0.967 1.173 1.00 0.00 O ATOM 47 CB ARG A 3 6.819 1.885 -0.519 1.00 0.00 C ATOM 48 CG ARG A 3 6.648 1.459 -1.972 1.00 0.00 C ATOM 49 CD ARG A 3 7.784 0.562 -2.440 1.00 0.00 C ATOM 50 NE ARG A 3 9.088 1.209 -2.307 1.00 0.00 N ATOM 51 CZ ARG A 3 9.445 2.306 -2.970 1.00 0.00 C ATOM 52 NH1 ARG A 3 8.605 2.875 -3.824 1.00 0.00 N ATOM 53 NH2 ARG A 3 10.647 2.834 -2.781 1.00 0.00 N ATOM 0 H ARG A 3 7.407 -0.710 -0.634 1.00 0.00 H new ATOM 0 HA ARG A 3 6.687 1.173 1.510 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.181 2.748 -0.329 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.848 2.210 -0.368 1.00 0.00 H new ATOM 0 HG2 ARG A 3 5.700 0.933 -2.087 1.00 0.00 H new ATOM 0 HG3 ARG A 3 6.600 2.344 -2.606 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.778 -0.362 -1.861 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.622 0.286 -3.482 1.00 0.00 H new ATOM 0 HE ARG A 3 9.765 0.794 -1.667 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.680 2.472 -3.975 1.00 0.00 H new ATOM 0 HH12 ARG A 3 8.884 3.716 -4.330 1.00 0.00 H new ATOM 0 HH21 ARG A 3 11.298 2.399 -2.127 1.00 0.00 H new ATOM 0 HH22 ARG A 3 10.920 3.675 -3.289 1.00 0.00 H new ATOM 67 N PHE A 4 4.642 -0.441 -0.495 1.00 0.00 N ATOM 68 CA PHE A 4 3.238 -0.813 -0.646 1.00 0.00 C ATOM 69 C PHE A 4 2.633 -1.164 0.682 1.00 0.00 C ATOM 70 O PHE A 4 1.470 -0.901 0.937 1.00 0.00 O ATOM 71 CB PHE A 4 3.089 -1.941 -1.646 1.00 0.00 C ATOM 72 CG PHE A 4 3.918 -1.677 -2.844 1.00 0.00 C ATOM 73 CD1 PHE A 4 3.838 -0.452 -3.478 1.00 0.00 C ATOM 74 CD2 PHE A 4 4.818 -2.614 -3.294 1.00 0.00 C ATOM 75 CE1 PHE A 4 4.639 -0.166 -4.555 1.00 0.00 C ATOM 76 CE2 PHE A 4 5.631 -2.341 -4.368 1.00 0.00 C ATOM 77 CZ PHE A 4 5.544 -1.113 -5.006 1.00 0.00 C ATOM 0 H PHE A 4 5.282 -0.906 -1.139 1.00 0.00 H new ATOM 0 HA PHE A 4 2.692 0.046 -1.035 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.389 -2.884 -1.188 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.043 -2.045 -1.935 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.137 0.289 -3.122 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.887 -3.572 -2.800 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.564 0.792 -5.048 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.336 -3.082 -4.714 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.180 -0.896 -5.852 1.00 0.00 H new ATOM 87 N ALA A 5 3.448 -1.733 1.525 1.00 0.00 N ATOM 88 CA ALA A 5 3.043 -2.130 2.849 1.00 0.00 C ATOM 89 C ALA A 5 2.274 -1.030 3.619 1.00 0.00 C ATOM 90 O ALA A 5 1.686 -1.316 4.663 1.00 0.00 O ATOM 91 CB ALA A 5 4.286 -2.558 3.595 1.00 0.00 C ATOM 0 H ALA A 5 4.424 -1.938 1.312 1.00 0.00 H new ATOM 0 HA ALA A 5 2.333 -2.953 2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.016 -2.866 4.605 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.754 -3.393 3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.986 -1.724 3.645 1.00 0.00 H new ATOM 97 N TRP A 6 2.268 0.222 3.122 1.00 0.00 N ATOM 98 CA TRP A 6 1.549 1.307 3.819 1.00 0.00 C ATOM 99 C TRP A 6 0.465 1.979 2.955 1.00 0.00 C ATOM 100 O TRP A 6 0.093 3.122 3.221 1.00 0.00 O ATOM 101 CB TRP A 6 2.526 2.379 4.339 1.00 0.00 C ATOM 102 CG TRP A 6 3.513 2.839 3.319 1.00 0.00 C ATOM 103 CD1 TRP A 6 4.845 2.586 3.327 1.00 0.00 C ATOM 104 CD2 TRP A 6 3.258 3.631 2.148 1.00 0.00 C ATOM 105 NE1 TRP A 6 5.430 3.126 2.216 1.00 0.00 N ATOM 106 CE2 TRP A 6 4.480 3.780 1.475 1.00 0.00 C ATOM 107 CE3 TRP A 6 2.118 4.213 1.595 1.00 0.00 C ATOM 108 CZ2 TRP A 6 4.589 4.483 0.272 1.00 0.00 C ATOM 109 CZ3 TRP A 6 2.222 4.905 0.404 1.00 0.00 C ATOM 110 CH2 TRP A 6 3.444 5.031 -0.248 1.00 0.00 C ATOM 0 H TRP A 6 2.740 0.503 2.263 1.00 0.00 H new ATOM 0 HA TRP A 6 1.045 0.828 4.658 1.00 0.00 H new ATOM 0 HB2 TRP A 6 1.955 3.238 4.691 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.065 1.980 5.198 1.00 0.00 H new ATOM 0 HD1 TRP A 6 5.367 2.038 4.098 1.00 0.00 H new ATOM 0 HE1 TRP A 6 6.419 3.054 1.976 1.00 0.00 H new ATOM 0 HE3 TRP A 6 1.164 4.124 2.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 5.539 4.591 -0.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.340 5.355 -0.028 1.00 0.00 H new ATOM 0 HH2 TRP A 6 3.492 5.571 -1.182 1.00 0.00 H new ATOM 121 N TRP A 7 -0.047 1.286 1.930 1.00 0.00 N ATOM 122 CA TRP A 7 -1.079 1.873 1.051 1.00 0.00 C ATOM 123 C TRP A 7 -1.608 0.880 0.028 1.00 0.00 C ATOM 124 O TRP A 7 -2.723 1.012 -0.460 1.00 0.00 O ATOM 125 CB TRP A 7 -0.505 3.039 0.287 1.00 0.00 C ATOM 126 CG TRP A 7 0.493 2.585 -0.704 1.00 0.00 C ATOM 127 CD1 TRP A 7 1.594 1.831 -0.466 1.00 0.00 C ATOM 128 CD2 TRP A 7 0.474 2.843 -2.090 1.00 0.00 C ATOM 129 NE1 TRP A 7 2.258 1.597 -1.636 1.00 0.00 N ATOM 130 CE2 TRP A 7 1.594 2.212 -2.645 1.00 0.00 C ATOM 131 CE3 TRP A 7 -0.385 3.546 -2.911 1.00 0.00 C ATOM 132 CZ2 TRP A 7 1.880 2.261 -3.989 1.00 0.00 C ATOM 133 CZ3 TRP A 7 -0.108 3.605 -4.248 1.00 0.00 C ATOM 134 CH2 TRP A 7 1.018 2.965 -4.784 1.00 0.00 C ATOM 0 H TRP A 7 0.227 0.334 1.687 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.896 2.182 1.703 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.307 3.576 -0.219 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -0.041 3.740 0.981 1.00 0.00 H new ATOM 0 HD1 TRP A 7 1.900 1.469 0.504 1.00 0.00 H new ATOM 0 HE1 TRP A 7 3.113 1.050 -1.734 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -1.257 4.038 -2.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.747 1.765 -4.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -0.768 4.154 -4.903 1.00 0.00 H new ATOM 0 HH2 TRP A 7 1.209 3.029 -5.845 1.00 0.00 H new ATOM 145 N TRP A 8 -0.789 -0.093 -0.315 1.00 0.00 N ATOM 146 CA TRP A 8 -1.155 -1.106 -1.289 1.00 0.00 C ATOM 147 C TRP A 8 -2.528 -1.691 -1.011 1.00 0.00 C ATOM 148 O TRP A 8 -3.140 -2.341 -1.859 1.00 0.00 O ATOM 149 CB TRP A 8 -0.113 -2.209 -1.285 1.00 0.00 C ATOM 150 CG TRP A 8 -0.013 -3.084 -0.059 1.00 0.00 C ATOM 151 CD1 TRP A 8 0.567 -4.297 -0.009 1.00 0.00 C ATOM 152 CD2 TRP A 8 -0.467 -2.822 1.256 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.467 -4.835 1.251 1.00 0.00 N ATOM 154 CE2 TRP A 8 -0.174 -3.935 2.052 1.00 0.00 C ATOM 155 CE3 TRP A 8 -1.100 -1.760 1.808 1.00 0.00 C ATOM 156 CZ2 TRP A 8 -0.520 -3.986 3.400 1.00 0.00 C ATOM 157 CZ3 TRP A 8 -1.454 -1.784 3.122 1.00 0.00 C ATOM 158 CH2 TRP A 8 -1.168 -2.894 3.917 1.00 0.00 C ATOM 0 H TRP A 8 0.148 -0.206 0.072 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.194 -0.631 -2.269 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.307 -2.855 -2.141 1.00 0.00 H new ATOM 0 HB3 TRP A 8 0.862 -1.749 -1.447 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.046 -4.782 -0.846 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.813 -5.750 1.539 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.324 -0.893 1.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.288 -4.846 4.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.962 -0.934 3.554 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.462 -2.893 4.956 1.00 0.00 H new ATOM 169 N ALA A 9 -2.989 -1.430 0.183 1.00 0.00 N ATOM 170 CA ALA A 9 -4.269 -1.874 0.645 1.00 0.00 C ATOM 171 C ALA A 9 -5.179 -0.670 0.712 1.00 0.00 C ATOM 172 O ALA A 9 -6.373 -0.749 0.432 1.00 0.00 O ATOM 173 CB ALA A 9 -4.162 -2.585 1.982 1.00 0.00 C ATOM 0 H ALA A 9 -2.470 -0.890 0.875 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.685 -2.607 -0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.152 -2.908 2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.512 -3.454 1.881 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.745 -1.904 2.724 1.00 0.00 H new ATOM 179 N PHE A 10 -4.551 0.473 0.999 1.00 0.00 N ATOM 180 CA PHE A 10 -5.230 1.758 0.998 1.00 0.00 C ATOM 181 C PHE A 10 -5.977 1.825 -0.326 1.00 0.00 C ATOM 182 O PHE A 10 -6.993 2.504 -0.479 1.00 0.00 O ATOM 183 CB PHE A 10 -4.167 2.878 1.119 1.00 0.00 C ATOM 184 CG PHE A 10 -4.585 4.253 0.668 1.00 0.00 C ATOM 185 CD1 PHE A 10 -5.853 4.745 0.936 1.00 0.00 C ATOM 186 CD2 PHE A 10 -3.687 5.059 -0.031 1.00 0.00 C ATOM 187 CE1 PHE A 10 -6.222 6.010 0.518 1.00 0.00 C ATOM 188 CE2 PHE A 10 -4.056 6.323 -0.449 1.00 0.00 C ATOM 189 CZ PHE A 10 -5.324 6.799 -0.175 1.00 0.00 C ATOM 0 H PHE A 10 -3.561 0.527 1.237 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.925 1.881 1.828 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.855 2.941 2.162 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.291 2.581 0.542 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.560 4.134 1.477 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.695 4.692 -0.247 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.213 6.382 0.733 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.353 6.939 -0.990 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.613 7.787 -0.502 1.00 0.00 H new ATOM 199 N LEU A 11 -5.439 1.052 -1.270 1.00 0.00 N ATOM 200 CA LEU A 11 -5.986 0.917 -2.603 1.00 0.00 C ATOM 201 C LEU A 11 -6.888 -0.317 -2.681 1.00 0.00 C ATOM 202 O LEU A 11 -7.952 -0.281 -3.299 1.00 0.00 O ATOM 203 CB LEU A 11 -4.847 0.768 -3.616 1.00 0.00 C ATOM 204 CG LEU A 11 -3.504 1.382 -3.213 1.00 0.00 C ATOM 205 CD1 LEU A 11 -2.530 1.326 -4.378 1.00 0.00 C ATOM 206 CD2 LEU A 11 -3.675 2.812 -2.720 1.00 0.00 C ATOM 0 H LEU A 11 -4.597 0.497 -1.118 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.571 1.808 -2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.695 -0.294 -3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.163 1.220 -4.556 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.097 0.797 -2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.579 1.766 -4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.373 0.288 -4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.938 1.884 -5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.703 3.220 -2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.110 3.421 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.334 2.821 -1.852 1.00 0.00 H new ATOM 218 N ARG A 12 -6.440 -1.419 -2.062 1.00 0.00 N ATOM 219 CA ARG A 12 -7.198 -2.671 -2.079 1.00 0.00 C ATOM 220 C ARG A 12 -8.573 -2.496 -1.437 1.00 0.00 C ATOM 221 O ARG A 12 -9.450 -3.347 -1.586 1.00 0.00 O ATOM 222 CB ARG A 12 -6.426 -3.819 -1.397 1.00 0.00 C ATOM 223 CG ARG A 12 -6.542 -3.871 0.124 1.00 0.00 C ATOM 224 CD ARG A 12 -5.940 -5.153 0.682 1.00 0.00 C ATOM 225 NE ARG A 12 -6.541 -6.346 0.089 1.00 0.00 N ATOM 226 CZ ARG A 12 -7.821 -6.680 0.233 1.00 0.00 C ATOM 227 NH1 ARG A 12 -8.631 -5.927 0.965 1.00 0.00 N ATOM 228 NH2 ARG A 12 -8.290 -7.773 -0.353 1.00 0.00 N ATOM 0 H ARG A 12 -5.561 -1.465 -1.547 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.340 -2.941 -3.125 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.781 -4.766 -1.804 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.372 -3.733 -1.662 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.035 -3.010 0.559 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.591 -3.803 0.413 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.866 -5.159 0.497 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.078 -5.177 1.763 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.945 -6.958 -0.468 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.274 -5.087 1.421 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.611 -6.187 1.072 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.670 -8.357 -0.914 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.271 -8.030 -0.243 1.00 0.00 H new ATOM 242 N ARG A 13 -8.754 -1.384 -0.729 1.00 0.00 N ATOM 243 CA ARG A 13 -10.022 -1.088 -0.069 1.00 0.00 C ATOM 244 C ARG A 13 -11.171 -1.099 -1.073 1.00 0.00 C ATOM 245 O ARG A 13 -11.916 -2.101 -1.103 1.00 0.00 O ATOM 246 CB ARG A 13 -9.947 0.275 0.624 1.00 0.00 C ATOM 247 CG ARG A 13 -11.269 0.739 1.215 1.00 0.00 C ATOM 248 CD ARG A 13 -11.141 2.116 1.849 1.00 0.00 C ATOM 249 NE ARG A 13 -12.427 2.634 2.306 1.00 0.00 N ATOM 250 CZ ARG A 13 -12.582 3.824 2.880 1.00 0.00 C ATOM 251 NH1 ARG A 13 -11.532 4.610 3.080 1.00 0.00 N ATOM 252 NH2 ARG A 13 -13.787 4.228 3.255 1.00 0.00 N ATOM 0 H ARG A 13 -8.036 -0.671 -0.598 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.209 -1.860 0.677 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.202 0.227 1.418 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.600 1.018 -0.094 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -12.029 0.766 0.434 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.606 0.022 1.964 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.452 2.063 2.692 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.708 2.808 1.126 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.254 2.050 2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.603 4.302 2.793 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.654 5.522 3.520 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.597 3.626 3.104 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.905 5.141 3.695 1.00 0.00 H new HETATM 266 N NH2 A 14 -10.959 -0.655 -2.307 1.00 0.00 N TER 269 NH2 A 14