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+ 167:sc= -0.135 (180deg=-0.407) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -6.758 3.655 -5.562 1.00 0.00 N ATOM 2 CA VAL A 1 -6.426 3.085 -4.230 1.00 0.00 C ATOM 3 C VAL A 1 -7.679 2.868 -3.390 1.00 0.00 C ATOM 4 O VAL A 1 -8.396 3.817 -3.070 1.00 0.00 O ATOM 5 CB VAL A 1 -5.456 4.006 -3.455 1.00 0.00 C ATOM 6 CG1 VAL A 1 -5.963 5.440 -3.455 1.00 0.00 C ATOM 7 CG2 VAL A 1 -5.260 3.511 -2.026 1.00 0.00 C ATOM 0 H1 VAL A 1 -5.889 3.994 -6.021 1.00 0.00 H new ATOM 0 H2 VAL A 1 -7.198 2.922 -6.154 1.00 0.00 H new ATOM 0 H3 VAL A 1 -7.420 4.449 -5.445 1.00 0.00 H new ATOM 0 HA VAL A 1 -5.946 2.123 -4.410 1.00 0.00 H new ATOM 0 HB VAL A 1 -4.491 3.980 -3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -5.266 6.072 -2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -6.044 5.797 -4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -6.943 5.480 -2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -4.573 4.176 -1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -6.220 3.500 -1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -4.846 2.503 -2.044 1.00 0.00 H new ATOM 19 N ARG A 2 -7.927 1.617 -3.014 1.00 0.00 N ATOM 20 CA ARG A 2 -9.080 1.292 -2.187 1.00 0.00 C ATOM 21 C ARG A 2 -8.782 1.709 -0.752 1.00 0.00 C ATOM 22 O ARG A 2 -9.412 2.621 -0.215 1.00 0.00 O ATOM 23 CB ARG A 2 -9.389 -0.208 -2.266 1.00 0.00 C ATOM 24 CG ARG A 2 -10.802 -0.583 -1.832 1.00 0.00 C ATOM 25 CD ARG A 2 -11.027 -0.350 -0.346 1.00 0.00 C ATOM 26 NE ARG A 2 -12.379 -0.717 0.071 1.00 0.00 N ATOM 27 CZ ARG A 2 -12.864 -1.956 0.010 1.00 0.00 C ATOM 28 NH1 ARG A 2 -12.109 -2.949 -0.441 1.00 0.00 N ATOM 29 NH2 ARG A 2 -14.105 -2.203 0.406 1.00 0.00 N ATOM 0 H ARG A 2 -7.347 0.817 -3.268 1.00 0.00 H new ATOM 0 HA ARG A 2 -9.958 1.829 -2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -9.235 -0.545 -3.291 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -8.675 -0.747 -1.643 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -11.523 0.002 -2.403 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -10.986 -1.632 -2.066 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -10.302 -0.930 0.225 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -10.849 0.700 -0.113 1.00 0.00 H new ATOM 0 HE ARG A 2 -12.987 0.019 0.430 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.152 -2.766 -0.743 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.485 -3.896 -0.486 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -14.689 -1.444 0.758 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -14.476 -3.152 0.359 1.00 0.00 H new ATOM 43 N ARG A 3 -7.789 1.054 -0.154 1.00 0.00 N ATOM 44 CA ARG A 3 -7.366 1.372 1.206 1.00 0.00 C ATOM 45 C ARG A 3 -6.154 0.543 1.624 1.00 0.00 C ATOM 46 O ARG A 3 -5.899 0.361 2.814 1.00 0.00 O ATOM 47 CB ARG A 3 -8.524 1.173 2.196 1.00 0.00 C ATOM 48 CG ARG A 3 -8.992 -0.269 2.338 1.00 0.00 C ATOM 49 CD ARG A 3 -8.292 -0.976 3.488 1.00 0.00 C ATOM 50 NE ARG A 3 -8.748 -2.355 3.645 1.00 0.00 N ATOM 51 CZ ARG A 3 -8.321 -3.169 4.606 1.00 0.00 C ATOM 52 NH1 ARG A 3 -7.424 -2.747 5.488 1.00 0.00 N ATOM 53 NH2 ARG A 3 -8.790 -4.406 4.686 1.00 0.00 N ATOM 0 H ARG A 3 -7.262 0.298 -0.592 1.00 0.00 H new ATOM 0 HA ARG A 3 -7.072 2.421 1.222 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -8.215 1.540 3.175 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -9.367 1.786 1.877 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.070 -0.288 2.501 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.801 -0.807 1.409 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.216 -0.968 3.316 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.471 -0.428 4.413 1.00 0.00 H new ATOM 0 HE ARG A 3 -9.433 -2.714 2.980 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.060 -1.796 5.430 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.098 -3.374 6.224 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -9.479 -4.735 4.010 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.462 -5.029 5.424 1.00 0.00 H new ATOM 67 N PHE A 4 -5.387 0.061 0.648 1.00 0.00 N ATOM 68 CA PHE A 4 -4.201 -0.725 0.954 1.00 0.00 C ATOM 69 C PHE A 4 -3.203 -0.697 -0.200 1.00 0.00 C ATOM 70 O PHE A 4 -1.998 -0.687 0.015 1.00 0.00 O ATOM 71 CB PHE A 4 -4.572 -2.173 1.304 1.00 0.00 C ATOM 72 CG PHE A 4 -4.874 -3.047 0.117 1.00 0.00 C ATOM 73 CD1 PHE A 4 -3.853 -3.510 -0.705 1.00 0.00 C ATOM 74 CD2 PHE A 4 -6.177 -3.422 -0.163 1.00 0.00 C ATOM 75 CE1 PHE A 4 -4.136 -4.324 -1.786 1.00 0.00 C ATOM 76 CE2 PHE A 4 -6.462 -4.239 -1.241 1.00 0.00 C ATOM 77 CZ PHE A 4 -5.441 -4.690 -2.053 1.00 0.00 C ATOM 0 H PHE A 4 -5.564 0.200 -0.347 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.727 -0.272 1.824 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.752 -2.618 1.867 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.441 -2.163 1.961 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.830 -3.232 -0.497 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -6.980 -3.072 0.468 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.336 -4.674 -2.422 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.483 -4.524 -1.448 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.662 -5.328 -2.896 1.00 0.00 H new ATOM 87 N ALA A 5 -3.708 -0.701 -1.424 1.00 0.00 N ATOM 88 CA ALA A 5 -2.844 -0.695 -2.596 1.00 0.00 C ATOM 89 C ALA A 5 -2.309 0.705 -2.904 1.00 0.00 C ATOM 90 O ALA A 5 -2.425 1.204 -4.024 1.00 0.00 O ATOM 91 CB ALA A 5 -3.591 -1.261 -3.780 1.00 0.00 C ATOM 0 H ALA A 5 -4.707 -0.708 -1.632 1.00 0.00 H new ATOM 0 HA ALA A 5 -1.979 -1.323 -2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.942 -1.255 -4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.897 -2.284 -3.562 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.473 -0.653 -3.978 1.00 0.00 H new ATOM 97 N TRP A 6 -1.718 1.313 -1.892 1.00 0.00 N ATOM 98 CA TRP A 6 -1.134 2.647 -1.983 1.00 0.00 C ATOM 99 C TRP A 6 0.091 2.699 -1.109 1.00 0.00 C ATOM 100 O TRP A 6 1.087 3.346 -1.428 1.00 0.00 O ATOM 101 CB TRP A 6 -2.072 3.706 -1.435 1.00 0.00 C ATOM 102 CG TRP A 6 -2.537 3.362 -0.067 1.00 0.00 C ATOM 103 CD1 TRP A 6 -3.233 2.266 0.321 1.00 0.00 C ATOM 104 CD2 TRP A 6 -2.291 4.114 1.095 1.00 0.00 C ATOM 105 NE1 TRP A 6 -3.400 2.269 1.681 1.00 0.00 N ATOM 106 CE2 TRP A 6 -2.832 3.413 2.181 1.00 0.00 C ATOM 107 CE3 TRP A 6 -1.652 5.315 1.304 1.00 0.00 C ATOM 108 CZ2 TRP A 6 -2.738 3.887 3.482 1.00 0.00 C ATOM 109 CZ3 TRP A 6 -1.559 5.802 2.592 1.00 0.00 C ATOM 110 CH2 TRP A 6 -2.097 5.083 3.670 1.00 0.00 C ATOM 0 H TRP A 6 -1.627 0.891 -0.968 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.919 2.837 -3.035 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -1.564 4.670 -1.417 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.931 3.811 -2.097 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -3.603 1.501 -0.345 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -3.866 1.545 2.228 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -1.231 5.866 0.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -3.153 3.335 4.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -1.067 6.746 2.772 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -2.004 5.481 4.670 1.00 0.00 H new ATOM 121 N TRP A 7 -0.032 2.041 0.032 1.00 0.00 N ATOM 122 CA TRP A 7 1.010 2.006 1.005 1.00 0.00 C ATOM 123 C TRP A 7 2.111 1.092 0.591 1.00 0.00 C ATOM 124 O TRP A 7 3.201 1.157 1.132 1.00 0.00 O ATOM 125 CB TRP A 7 0.452 1.616 2.365 1.00 0.00 C ATOM 126 CG TRP A 7 -0.250 0.295 2.399 1.00 0.00 C ATOM 127 CD1 TRP A 7 -1.554 0.092 2.662 1.00 0.00 C ATOM 128 CD2 TRP A 7 0.313 -0.995 2.198 1.00 0.00 C ATOM 129 NE1 TRP A 7 -1.850 -1.245 2.646 1.00 0.00 N ATOM 130 CE2 TRP A 7 -0.715 -1.934 2.360 1.00 0.00 C ATOM 131 CE3 TRP A 7 1.583 -1.445 1.897 1.00 0.00 C ATOM 132 CZ2 TRP A 7 -0.504 -3.293 2.231 1.00 0.00 C ATOM 133 CZ3 TRP A 7 1.800 -2.779 1.766 1.00 0.00 C ATOM 134 CH2 TRP A 7 0.767 -3.700 1.932 1.00 0.00 C ATOM 0 H TRP A 7 -0.867 1.519 0.296 1.00 0.00 H new ATOM 0 HA TRP A 7 1.434 3.007 1.083 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.270 1.596 3.086 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -0.243 2.389 2.693 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.270 0.877 2.859 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -2.768 -1.654 2.820 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.394 -0.744 1.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -1.307 -4.003 2.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 2.792 -3.133 1.529 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.974 -4.754 1.823 1.00 0.00 H new ATOM 145 N TRP A 8 1.837 0.226 -0.361 1.00 0.00 N ATOM 146 CA TRP A 8 2.863 -0.689 -0.790 1.00 0.00 C ATOM 147 C TRP A 8 4.045 0.099 -1.209 1.00 0.00 C ATOM 148 O TRP A 8 5.165 -0.126 -0.764 1.00 0.00 O ATOM 149 CB TRP A 8 2.459 -1.536 -1.975 1.00 0.00 C ATOM 150 CG TRP A 8 1.262 -2.310 -1.732 1.00 0.00 C ATOM 151 CD1 TRP A 8 0.306 -1.976 -0.887 1.00 0.00 C ATOM 152 CD2 TRP A 8 0.899 -3.516 -2.344 1.00 0.00 C ATOM 153 NE1 TRP A 8 -0.675 -2.937 -0.882 1.00 0.00 N ATOM 154 CE2 TRP A 8 -0.328 -3.905 -1.797 1.00 0.00 C ATOM 155 CE3 TRP A 8 1.508 -4.299 -3.298 1.00 0.00 C ATOM 156 CZ2 TRP A 8 -0.968 -5.077 -2.187 1.00 0.00 C ATOM 157 CZ3 TRP A 8 0.887 -5.456 -3.692 1.00 0.00 C ATOM 158 CH2 TRP A 8 -0.345 -5.844 -3.139 1.00 0.00 C ATOM 0 H TRP A 8 0.940 0.139 -0.838 1.00 0.00 H new ATOM 0 HA TRP A 8 3.062 -1.353 0.051 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.299 -0.891 -2.839 1.00 0.00 H new ATOM 0 HB3 TRP A 8 3.277 -2.211 -2.228 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.296 -1.078 -0.287 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.514 -2.934 -0.302 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.455 -4.008 -3.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.915 -5.371 -1.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.353 -6.080 -4.440 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.810 -6.762 -3.469 1.00 0.00 H new ATOM 169 N PRO A 9 3.803 1.039 -2.116 1.00 0.00 N ATOM 170 CA PRO A 9 4.842 1.855 -2.628 1.00 0.00 C ATOM 171 C PRO A 9 5.844 2.214 -1.543 1.00 0.00 C ATOM 172 O PRO A 9 7.052 2.071 -1.734 1.00 0.00 O ATOM 173 CB PRO A 9 4.073 3.055 -3.153 1.00 0.00 C ATOM 174 CG PRO A 9 2.851 2.439 -3.723 1.00 0.00 C ATOM 175 CD PRO A 9 2.500 1.358 -2.753 1.00 0.00 C ATOM 0 HA PRO A 9 5.453 1.381 -3.396 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.836 3.763 -2.358 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.640 3.600 -3.907 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.045 3.167 -3.817 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.035 2.036 -4.719 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.766 1.696 -2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.073 0.489 -3.255 1.00 0.00 H new ATOM 183 N PHE A 10 5.341 2.619 -0.377 1.00 0.00 N ATOM 184 CA PHE A 10 6.237 2.914 0.737 1.00 0.00 C ATOM 185 C PHE A 10 6.451 1.669 1.592 1.00 0.00 C ATOM 186 O PHE A 10 7.563 1.151 1.683 1.00 0.00 O ATOM 187 CB PHE A 10 5.732 4.042 1.631 1.00 0.00 C ATOM 188 CG PHE A 10 4.315 4.471 1.416 1.00 0.00 C ATOM 189 CD1 PHE A 10 3.926 5.125 0.259 1.00 0.00 C ATOM 190 CD2 PHE A 10 3.373 4.235 2.398 1.00 0.00 C ATOM 191 CE1 PHE A 10 2.619 5.532 0.089 1.00 0.00 C ATOM 192 CE2 PHE A 10 2.073 4.645 2.240 1.00 0.00 C ATOM 193 CZ PHE A 10 1.690 5.295 1.082 1.00 0.00 C ATOM 0 H PHE A 10 4.348 2.747 -0.183 1.00 0.00 H new ATOM 0 HA PHE A 10 7.176 3.239 0.289 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.842 3.731 2.670 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.378 4.908 1.487 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.652 5.318 -0.517 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.663 3.721 3.302 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.323 6.035 -0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.349 4.460 3.020 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.667 5.617 0.954 1.00 0.00 H new ATOM 203 N LEU A 11 5.373 1.198 2.220 1.00 0.00 N ATOM 204 CA LEU A 11 5.426 0.016 3.074 1.00 0.00 C ATOM 205 C LEU A 11 6.173 -1.126 2.393 1.00 0.00 C ATOM 206 O LEU A 11 7.141 -1.663 2.932 1.00 0.00 O ATOM 207 CB LEU A 11 4.029 -0.443 3.455 1.00 0.00 C ATOM 208 CG LEU A 11 3.164 0.567 4.223 1.00 0.00 C ATOM 209 CD1 LEU A 11 1.945 -0.136 4.773 1.00 0.00 C ATOM 210 CD2 LEU A 11 3.952 1.231 5.343 1.00 0.00 C ATOM 0 H LEU A 11 4.448 1.622 2.151 1.00 0.00 H new ATOM 0 HA LEU A 11 5.966 0.295 3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.501 -0.722 2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.119 -1.345 4.060 1.00 0.00 H new ATOM 0 HG LEU A 11 2.850 1.353 3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.329 0.578 5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.368 -0.560 3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.258 -0.934 5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.312 1.940 5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.301 0.471 6.042 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.809 1.758 4.922 1.00 0.00 H new ATOM 222 N ARG A 12 5.713 -1.480 1.201 1.00 0.00 N ATOM 223 CA ARG A 12 6.318 -2.547 0.409 1.00 0.00 C ATOM 224 C ARG A 12 7.591 -2.081 -0.283 1.00 0.00 C ATOM 225 O ARG A 12 7.879 -2.469 -1.416 1.00 0.00 O ATOM 226 CB ARG A 12 5.332 -3.019 -0.635 1.00 0.00 C ATOM 227 CG ARG A 12 4.259 -3.902 -0.104 1.00 0.00 C ATOM 228 CD ARG A 12 3.891 -4.912 -1.152 1.00 0.00 C ATOM 229 NE ARG A 12 4.835 -6.027 -1.209 1.00 0.00 N ATOM 230 CZ ARG A 12 5.051 -6.873 -0.203 1.00 0.00 C ATOM 231 NH1 ARG A 12 4.386 -6.745 0.938 1.00 0.00 N ATOM 232 NH2 ARG A 12 5.933 -7.854 -0.343 1.00 0.00 N ATOM 0 H ARG A 12 4.910 -1.037 0.754 1.00 0.00 H new ATOM 0 HA ARG A 12 6.577 -3.361 1.086 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.872 -2.149 -1.104 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.874 -3.553 -1.415 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.600 -4.406 0.801 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.386 -3.310 0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.892 -5.296 -0.947 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.851 -4.423 -2.125 1.00 0.00 H new ATOM 0 HE ARG A 12 5.360 -6.166 -2.072 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.704 -5.995 1.049 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.557 -7.397 1.704 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.444 -7.959 -1.219 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.100 -8.503 0.426 1.00 0.00 H new ATOM 246 N ARG A 13 8.335 -1.249 0.409 1.00 0.00 N ATOM 247 CA ARG A 13 9.588 -0.706 -0.110 1.00 0.00 C ATOM 248 C ARG A 13 10.517 -1.823 -0.573 1.00 0.00 C ATOM 249 O ARG A 13 10.613 -2.841 0.144 1.00 0.00 O ATOM 250 CB ARG A 13 10.283 0.139 0.962 1.00 0.00 C ATOM 251 CG ARG A 13 11.590 0.765 0.500 1.00 0.00 C ATOM 252 CD ARG A 13 11.372 1.739 -0.648 1.00 0.00 C ATOM 253 NE ARG A 13 12.618 2.366 -1.083 1.00 0.00 N ATOM 254 CZ ARG A 13 13.641 1.699 -1.611 1.00 0.00 C ATOM 255 NH1 ARG A 13 13.565 0.386 -1.788 1.00 0.00 N ATOM 256 NH2 ARG A 13 14.742 2.347 -1.968 1.00 0.00 N ATOM 0 H ARG A 13 8.097 -0.925 1.346 1.00 0.00 H new ATOM 0 HA ARG A 13 9.354 -0.075 -0.968 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.606 0.930 1.283 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.479 -0.486 1.833 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.059 1.286 1.335 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.278 -0.020 0.186 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.919 1.212 -1.488 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.667 2.511 -0.339 1.00 0.00 H new ATOM 0 HE ARG A 13 12.709 3.376 -0.975 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.719 -0.117 -1.519 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.352 -0.120 -2.193 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.804 3.357 -1.838 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.526 1.836 -2.373 1.00 0.00 H new HETATM 270 N NH2 A 14 10.592 -2.108 -1.868 1.00 0.00 N TER 273 NH2 A 14