USER MOD reduce.3.24.130724 H: found=0, std=0, add=140, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 138 hydrogens (0 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 LYS N :NH3+ -149:sc= -0.194 (180deg=-1.63) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.882 -0.092 -0.627 1.00 11.40 N ATOM 2 CA LYS A 1 2.183 0.266 -1.180 1.00 12.33 C ATOM 3 C LYS A 1 3.121 -0.936 -1.185 1.00 24.15 C ATOM 4 O LYS A 1 3.188 -1.687 -0.211 1.00 43.32 O ATOM 5 CB LYS A 1 2.805 1.409 -0.374 1.00 41.23 C ATOM 6 CG LYS A 1 2.095 2.739 -0.557 1.00 15.13 C ATOM 7 CD LYS A 1 0.886 2.855 0.357 1.00 54.35 C ATOM 8 CE LYS A 1 0.594 4.305 0.714 1.00 63.31 C ATOM 9 NZ LYS A 1 0.029 5.058 -0.440 1.00 21.32 N ATOM 0 H1 LYS A 1 0.143 0.486 -1.076 1.00 11.40 H new ATOM 0 H2 LYS A 1 0.693 -1.098 -0.809 1.00 11.40 H new ATOM 0 H3 LYS A 1 0.881 0.081 0.399 1.00 11.40 H new ATOM 0 HA LYS A 1 2.035 0.593 -2.209 1.00 12.33 H new ATOM 0 HB2 LYS A 1 2.795 1.144 0.683 1.00 41.23 H new ATOM 0 HB3 LYS A 1 3.849 1.521 -0.665 1.00 41.23 H new ATOM 0 HG2 LYS A 1 2.788 3.554 -0.350 1.00 15.13 H new ATOM 0 HG3 LYS A 1 1.779 2.844 -1.595 1.00 15.13 H new ATOM 0 HD2 LYS A 1 0.016 2.417 -0.132 1.00 54.35 H new ATOM 0 HD3 LYS A 1 1.061 2.283 1.268 1.00 54.35 H new ATOM 0 HE2 LYS A 1 -0.107 4.339 1.548 1.00 63.31 H new ATOM 0 HE3 LYS A 1 1.512 4.788 1.049 1.00 63.31 H new ATOM 0 HZ1 LYS A 1 -0.156 6.041 -0.156 1.00 21.32 H new ATOM 0 HZ2 LYS A 1 0.708 5.047 -1.228 1.00 21.32 H new ATOM 0 HZ3 LYS A 1 -0.860 4.612 -0.744 1.00 21.32 H new ATOM 23 N TRP A 2 3.844 -1.112 -2.285 1.00 5.45 N ATOM 24 CA TRP A 2 4.781 -2.223 -2.414 1.00 54.54 C ATOM 25 C TRP A 2 6.172 -1.721 -2.784 1.00 62.44 C ATOM 26 O TRP A 2 6.391 -0.518 -2.928 1.00 65.41 O ATOM 27 CB TRP A 2 4.285 -3.213 -3.469 1.00 32.41 C ATOM 28 CG TRP A 2 5.013 -3.105 -4.774 1.00 61.54 C ATOM 29 CD1 TRP A 2 4.921 -2.090 -5.683 1.00 13.02 C ATOM 30 CD2 TRP A 2 5.943 -4.049 -5.317 1.00 40.04 C ATOM 31 NE1 TRP A 2 5.737 -2.345 -6.758 1.00 63.40 N ATOM 32 CE2 TRP A 2 6.376 -3.540 -6.558 1.00 30.53 C ATOM 33 CE3 TRP A 2 6.454 -5.272 -4.876 1.00 33.51 C ATOM 34 CZ2 TRP A 2 7.293 -4.215 -7.359 1.00 4.11 C ATOM 35 CZ3 TRP A 2 7.364 -5.941 -5.672 1.00 50.35 C ATOM 36 CH2 TRP A 2 7.777 -5.411 -6.902 1.00 51.31 C ATOM 0 H TRP A 2 3.800 -0.500 -3.100 1.00 5.45 H new ATOM 0 HA TRP A 2 4.843 -2.729 -1.451 1.00 54.54 H new ATOM 0 HB2 TRP A 2 4.393 -4.227 -3.084 1.00 32.41 H new ATOM 0 HB3 TRP A 2 3.221 -3.048 -3.640 1.00 32.41 H new ATOM 0 HD1 TRP A 2 4.298 -1.215 -5.573 1.00 13.02 H new ATOM 0 HE1 TRP A 2 5.849 -1.742 -7.573 1.00 63.40 H new ATOM 0 HE3 TRP A 2 6.143 -5.688 -3.929 1.00 33.51 H new ATOM 0 HZ2 TRP A 2 7.611 -3.809 -8.308 1.00 4.11 H new ATOM 0 HZ3 TRP A 2 7.764 -6.888 -5.341 1.00 50.35 H new ATOM 0 HH2 TRP A 2 8.491 -5.957 -7.501 1.00 51.31 H new ATOM 47 N PHE A 3 7.110 -2.651 -2.938 1.00 13.43 N ATOM 48 CA PHE A 3 8.481 -2.302 -3.291 1.00 20.14 C ATOM 49 C PHE A 3 8.517 -1.450 -4.556 1.00 63.30 C ATOM 50 O PHE A 3 7.478 -1.138 -5.137 1.00 33.01 O ATOM 51 CB PHE A 3 9.316 -3.568 -3.491 1.00 22.54 C ATOM 52 CG PHE A 3 10.334 -3.793 -2.409 1.00 15.24 C ATOM 53 CD1 PHE A 3 11.283 -2.826 -2.121 1.00 44.12 C ATOM 54 CD2 PHE A 3 10.340 -4.971 -1.679 1.00 42.12 C ATOM 55 CE1 PHE A 3 12.221 -3.029 -1.126 1.00 12.11 C ATOM 56 CE2 PHE A 3 11.275 -5.179 -0.683 1.00 33.35 C ATOM 57 CZ PHE A 3 12.217 -4.208 -0.406 1.00 51.34 C ATOM 0 H PHE A 3 6.945 -3.651 -2.824 1.00 13.43 H new ATOM 0 HA PHE A 3 8.904 -1.721 -2.471 1.00 20.14 H new ATOM 0 HB2 PHE A 3 8.650 -4.429 -3.537 1.00 22.54 H new ATOM 0 HB3 PHE A 3 9.826 -3.509 -4.452 1.00 22.54 H new ATOM 0 HD1 PHE A 3 11.290 -1.902 -2.681 1.00 44.12 H new ATOM 0 HD2 PHE A 3 9.606 -5.735 -1.891 1.00 42.12 H new ATOM 0 HE1 PHE A 3 12.956 -2.267 -0.912 1.00 12.11 H new ATOM 0 HE2 PHE A 3 11.269 -6.101 -0.121 1.00 33.35 H new ATOM 0 HZ PHE A 3 12.949 -4.370 0.372 1.00 51.34 H new ATOM 67 N ARG A 4 9.722 -1.077 -4.977 1.00 35.42 N ATOM 68 CA ARG A 4 9.894 -0.260 -6.172 1.00 22.32 C ATOM 69 C ARG A 4 9.221 -0.910 -7.377 1.00 34.42 C ATOM 70 O ARG A 4 9.460 -2.079 -7.680 1.00 21.44 O ATOM 71 CB ARG A 4 11.382 -0.047 -6.459 1.00 55.11 C ATOM 72 CG ARG A 4 11.962 1.184 -5.783 1.00 12.51 C ATOM 73 CD ARG A 4 11.715 2.440 -6.605 1.00 64.21 C ATOM 74 NE ARG A 4 12.391 3.605 -6.041 1.00 13.24 N ATOM 75 CZ ARG A 4 12.278 4.832 -6.538 1.00 23.15 C ATOM 76 NH1 ARG A 4 11.521 5.052 -7.603 1.00 51.32 N ATOM 77 NH2 ARG A 4 12.924 5.842 -5.968 1.00 30.51 N ATOM 0 H ARG A 4 10.593 -1.328 -4.508 1.00 35.42 H new ATOM 0 HA ARG A 4 9.423 0.706 -5.992 1.00 22.32 H new ATOM 0 HB2 ARG A 4 11.936 -0.926 -6.131 1.00 55.11 H new ATOM 0 HB3 ARG A 4 11.527 0.038 -7.536 1.00 55.11 H new ATOM 0 HG2 ARG A 4 11.517 1.301 -4.795 1.00 12.51 H new ATOM 0 HG3 ARG A 4 13.034 1.049 -5.636 1.00 12.51 H new ATOM 0 HD2 ARG A 4 12.061 2.279 -7.626 1.00 64.21 H new ATOM 0 HD3 ARG A 4 10.644 2.633 -6.659 1.00 64.21 H new ATOM 0 HE ARG A 4 12.982 3.469 -5.221 1.00 13.24 H new ATOM 0 HH11 ARG A 4 11.023 4.278 -8.043 1.00 51.32 H new ATOM 0 HH12 ARG A 4 11.436 5.995 -7.982 1.00 51.32 H new ATOM 0 HH21 ARG A 4 13.508 5.676 -5.148 1.00 30.51 H new ATOM 0 HH22 ARG A 4 12.837 6.784 -6.350 1.00 30.51 H new ATOM 91 N VAL A 5 8.376 -0.145 -8.061 1.00 4.31 N ATOM 92 CA VAL A 5 7.668 -0.645 -9.233 1.00 64.31 C ATOM 93 C VAL A 5 8.629 -0.897 -10.390 1.00 3.14 C ATOM 94 O VAL A 5 9.835 -0.678 -10.268 1.00 12.13 O ATOM 95 CB VAL A 5 6.577 0.339 -9.692 1.00 55.32 C ATOM 96 CG1 VAL A 5 5.611 0.635 -8.554 1.00 62.15 C ATOM 97 CG2 VAL A 5 7.203 1.622 -10.218 1.00 2.15 C ATOM 0 H VAL A 5 8.165 0.824 -7.823 1.00 4.31 H new ATOM 0 HA VAL A 5 7.200 -1.585 -8.942 1.00 64.31 H new ATOM 0 HB VAL A 5 6.014 -0.123 -10.503 1.00 55.32 H new ATOM 0 HG11 VAL A 5 4.847 1.332 -8.897 1.00 62.15 H new ATOM 0 HG12 VAL A 5 5.137 -0.291 -8.229 1.00 62.15 H new ATOM 0 HG13 VAL A 5 6.156 1.076 -7.720 1.00 62.15 H new ATOM 0 HG21 VAL A 5 6.417 2.306 -10.538 1.00 2.15 H new ATOM 0 HG22 VAL A 5 7.792 2.090 -9.429 1.00 2.15 H new ATOM 0 HG23 VAL A 5 7.850 1.391 -11.065 1.00 2.15 H new ATOM 107 N TYR A 6 8.088 -1.358 -11.512 1.00 12.34 N ATOM 108 CA TYR A 6 8.897 -1.641 -12.691 1.00 23.34 C ATOM 109 C TYR A 6 8.034 -1.677 -13.948 1.00 44.23 C ATOM 110 O TYR A 6 6.809 -1.761 -13.871 1.00 54.13 O ATOM 111 CB TYR A 6 9.630 -2.974 -12.524 1.00 0.44 C ATOM 112 CG TYR A 6 10.909 -3.066 -13.325 1.00 0.13 C ATOM 113 CD1 TYR A 6 12.013 -2.287 -12.999 1.00 62.52 C ATOM 114 CD2 TYR A 6 11.013 -3.930 -14.407 1.00 63.23 C ATOM 115 CE1 TYR A 6 13.184 -2.368 -13.729 1.00 13.24 C ATOM 116 CE2 TYR A 6 12.180 -4.018 -15.141 1.00 62.24 C ATOM 117 CZ TYR A 6 13.262 -3.235 -14.798 1.00 44.13 C ATOM 118 OH TYR A 6 14.426 -3.319 -15.528 1.00 2.51 O ATOM 0 H TYR A 6 7.092 -1.544 -11.630 1.00 12.34 H new ATOM 0 HA TYR A 6 9.630 -0.841 -12.798 1.00 23.34 H new ATOM 0 HB2 TYR A 6 9.860 -3.123 -11.469 1.00 0.44 H new ATOM 0 HB3 TYR A 6 8.965 -3.785 -12.822 1.00 0.44 H new ATOM 0 HD1 TYR A 6 11.955 -1.607 -12.162 1.00 62.52 H new ATOM 0 HD2 TYR A 6 10.167 -4.544 -14.679 1.00 63.23 H new ATOM 0 HE1 TYR A 6 14.033 -1.756 -13.463 1.00 13.24 H new ATOM 0 HE2 TYR A 6 12.245 -4.696 -15.979 1.00 62.24 H new ATOM 0 HH TYR A 6 14.315 -3.977 -16.246 1.00 2.51 H new ATOM 128 N ARG A 7 8.684 -1.613 -15.106 1.00 3.22 N ATOM 129 CA ARG A 7 7.978 -1.637 -16.381 1.00 11.11 C ATOM 130 C ARG A 7 7.456 -3.038 -16.687 1.00 12.32 C ATOM 131 O ARG A 7 8.231 -3.957 -16.947 1.00 52.02 O ATOM 132 CB ARG A 7 8.900 -1.167 -17.508 1.00 33.32 C ATOM 133 CG ARG A 7 9.145 0.333 -17.509 1.00 73.21 C ATOM 134 CD ARG A 7 10.141 0.735 -16.433 1.00 45.35 C ATOM 135 NE ARG A 7 10.829 1.981 -16.763 1.00 13.22 N ATOM 136 CZ ARG A 7 11.850 2.464 -16.064 1.00 61.11 C ATOM 137 NH1 ARG A 7 12.301 1.809 -15.003 1.00 74.53 N ATOM 138 NH2 ARG A 7 12.423 3.604 -16.427 1.00 5.34 N ATOM 0 H ARG A 7 9.698 -1.544 -15.187 1.00 3.22 H new ATOM 0 HA ARG A 7 7.128 -0.959 -16.310 1.00 11.11 H new ATOM 0 HB2 ARG A 7 9.856 -1.683 -17.422 1.00 33.32 H new ATOM 0 HB3 ARG A 7 8.466 -1.456 -18.465 1.00 33.32 H new ATOM 0 HG2 ARG A 7 9.518 0.641 -18.486 1.00 73.21 H new ATOM 0 HG3 ARG A 7 8.203 0.857 -17.348 1.00 73.21 H new ATOM 0 HD2 ARG A 7 9.621 0.849 -15.482 1.00 45.35 H new ATOM 0 HD3 ARG A 7 10.874 -0.061 -16.302 1.00 45.35 H new ATOM 0 HE ARG A 7 10.508 2.509 -17.575 1.00 13.22 H new ATOM 0 HH11 ARG A 7 11.864 0.932 -14.721 1.00 74.53 H new ATOM 0 HH12 ARG A 7 13.085 2.183 -14.468 1.00 74.53 H new ATOM 0 HH21 ARG A 7 12.080 4.110 -17.243 1.00 5.34 H new ATOM 0 HH22 ARG A 7 13.207 3.974 -15.890 1.00 5.34 H new ATOM 152 N GLY A 8 6.136 -3.192 -16.652 1.00 74.45 N ATOM 153 CA GLY A 8 5.533 -4.484 -16.927 1.00 54.41 C ATOM 154 C GLY A 8 4.401 -4.810 -15.972 1.00 43.15 C ATOM 155 O GLY A 8 3.541 -5.636 -16.279 1.00 22.25 O ATOM 0 H GLY A 8 5.474 -2.446 -16.438 1.00 74.45 H new ATOM 0 HA2 GLY A 8 5.156 -4.495 -17.950 1.00 54.41 H new ATOM 0 HA3 GLY A 8 6.296 -5.259 -16.860 1.00 54.41 H new ATOM 159 N ILE A 9 4.402 -4.161 -14.813 1.00 22.53 N ATOM 160 CA ILE A 9 3.368 -4.388 -13.811 1.00 23.14 C ATOM 161 C ILE A 9 2.886 -3.072 -13.211 1.00 55.55 C ATOM 162 O ILE A 9 3.685 -2.259 -12.746 1.00 30.24 O ATOM 163 CB ILE A 9 3.873 -5.300 -12.677 1.00 62.31 C ATOM 164 CG1 ILE A 9 2.761 -5.545 -11.656 1.00 14.44 C ATOM 165 CG2 ILE A 9 5.091 -4.685 -12.005 1.00 3.23 C ATOM 166 CD1 ILE A 9 1.576 -6.296 -12.221 1.00 33.11 C ATOM 0 H ILE A 9 5.107 -3.474 -14.545 1.00 22.53 H new ATOM 0 HA ILE A 9 2.539 -4.879 -14.320 1.00 23.14 H new ATOM 0 HB ILE A 9 4.164 -6.259 -13.105 1.00 62.31 H new ATOM 0 HG12 ILE A 9 3.168 -6.106 -10.815 1.00 14.44 H new ATOM 0 HG13 ILE A 9 2.420 -4.586 -11.265 1.00 14.44 H new ATOM 0 HG21 ILE A 9 5.436 -5.341 -11.206 1.00 3.23 H new ATOM 0 HG22 ILE A 9 5.887 -4.558 -12.739 1.00 3.23 H new ATOM 0 HG23 ILE A 9 4.825 -3.714 -11.587 1.00 3.23 H new ATOM 0 HD11 ILE A 9 0.827 -6.434 -11.441 1.00 33.11 H new ATOM 0 HD12 ILE A 9 1.143 -5.727 -13.043 1.00 33.11 H new ATOM 0 HD13 ILE A 9 1.903 -7.270 -12.586 1.00 33.11 H new ATOM 178 N TYR A 10 1.573 -2.868 -13.225 1.00 50.14 N ATOM 179 CA TYR A 10 0.983 -1.649 -12.684 1.00 32.51 C ATOM 180 C TYR A 10 0.936 -1.698 -11.160 1.00 15.22 C ATOM 181 O TYR A 10 0.171 -2.466 -10.575 1.00 50.43 O ATOM 182 CB TYR A 10 -0.427 -1.448 -13.243 1.00 22.51 C ATOM 183 CG TYR A 10 -0.496 -1.522 -14.752 1.00 31.15 C ATOM 184 CD1 TYR A 10 -0.310 -0.388 -15.532 1.00 12.55 C ATOM 185 CD2 TYR A 10 -0.747 -2.727 -15.397 1.00 5.11 C ATOM 186 CE1 TYR A 10 -0.374 -0.450 -16.910 1.00 65.20 C ATOM 187 CE2 TYR A 10 -0.810 -2.799 -16.775 1.00 71.21 C ATOM 188 CZ TYR A 10 -0.623 -1.658 -17.527 1.00 75.21 C ATOM 189 OH TYR A 10 -0.686 -1.725 -18.900 1.00 62.01 O ATOM 0 H TYR A 10 0.897 -3.531 -13.605 1.00 50.14 H new ATOM 0 HA TYR A 10 1.608 -0.808 -12.984 1.00 32.51 H new ATOM 0 HB2 TYR A 10 -1.088 -2.204 -12.820 1.00 22.51 H new ATOM 0 HB3 TYR A 10 -0.803 -0.478 -12.917 1.00 22.51 H new ATOM 0 HD1 TYR A 10 -0.112 0.559 -15.052 1.00 12.55 H new ATOM 0 HD2 TYR A 10 -0.895 -3.622 -14.811 1.00 5.11 H new ATOM 0 HE1 TYR A 10 -0.230 0.442 -17.501 1.00 65.20 H new ATOM 0 HE2 TYR A 10 -1.005 -3.744 -17.261 1.00 71.21 H new ATOM 0 HH TYR A 10 -0.868 -2.648 -19.174 1.00 62.01 H new ATOM 199 N ARG A 11 1.758 -0.871 -10.522 1.00 63.34 N ATOM 200 CA ARG A 11 1.812 -0.819 -9.066 1.00 71.04 C ATOM 201 C ARG A 11 2.328 0.535 -8.590 1.00 4.44 C ATOM 202 O ARG A 11 2.637 1.412 -9.397 1.00 4.12 O ATOM 203 CB ARG A 11 2.707 -1.937 -8.527 1.00 54.42 C ATOM 204 CG ARG A 11 2.035 -3.300 -8.511 1.00 11.04 C ATOM 205 CD ARG A 11 2.631 -4.202 -7.441 1.00 42.31 C ATOM 206 NE ARG A 11 1.658 -5.164 -6.932 1.00 30.04 N ATOM 207 CZ ARG A 11 0.720 -4.859 -6.042 1.00 31.42 C ATOM 208 NH1 ARG A 11 0.628 -3.625 -5.566 1.00 65.30 N ATOM 209 NH2 ARG A 11 -0.130 -5.790 -5.627 1.00 23.35 N ATOM 0 H ARG A 11 2.396 -0.228 -10.991 1.00 63.34 H new ATOM 0 HA ARG A 11 0.800 -0.958 -8.684 1.00 71.04 H new ATOM 0 HB2 ARG A 11 3.610 -1.993 -9.135 1.00 54.42 H new ATOM 0 HB3 ARG A 11 3.020 -1.684 -7.514 1.00 54.42 H new ATOM 0 HG2 ARG A 11 0.967 -3.178 -8.332 1.00 11.04 H new ATOM 0 HG3 ARG A 11 2.143 -3.772 -9.488 1.00 11.04 H new ATOM 0 HD2 ARG A 11 3.487 -4.736 -7.853 1.00 42.31 H new ATOM 0 HD3 ARG A 11 3.002 -3.592 -6.618 1.00 42.31 H new ATOM 0 HE ARG A 11 1.701 -6.122 -7.279 1.00 30.04 H new ATOM 0 HH11 ARG A 11 1.279 -2.906 -5.883 1.00 65.30 H new ATOM 0 HH12 ARG A 11 -0.093 -3.394 -4.883 1.00 65.30 H new ATOM 0 HH21 ARG A 11 -0.063 -6.740 -5.991 1.00 23.35 H new ATOM 0 HH22 ARG A 11 -0.850 -5.555 -4.944 1.00 23.35 H new ATOM 223 N ARG A 12 2.419 0.699 -7.274 1.00 33.42 N ATOM 224 CA ARG A 12 2.896 1.946 -6.690 1.00 12.33 C ATOM 225 C ARG A 12 3.742 1.677 -5.449 1.00 2.00 C ATOM 226 O ARG A 12 3.468 0.749 -4.688 1.00 1.12 O ATOM 227 CB ARG A 12 1.715 2.849 -6.329 1.00 1.55 C ATOM 228 CG ARG A 12 2.121 4.271 -5.975 1.00 24.22 C ATOM 229 CD ARG A 12 2.409 5.094 -7.220 1.00 45.14 C ATOM 230 NE ARG A 12 1.206 5.325 -8.015 1.00 33.15 N ATOM 231 CZ ARG A 12 1.217 5.878 -9.222 1.00 52.21 C ATOM 232 NH1 ARG A 12 2.363 6.255 -9.772 1.00 20.12 N ATOM 233 NH2 ARG A 12 0.080 6.055 -9.883 1.00 13.24 N ATOM 0 H ARG A 12 2.168 -0.017 -6.592 1.00 33.42 H new ATOM 0 HA ARG A 12 3.518 2.450 -7.430 1.00 12.33 H new ATOM 0 HB2 ARG A 12 1.020 2.877 -7.168 1.00 1.55 H new ATOM 0 HB3 ARG A 12 1.179 2.413 -5.486 1.00 1.55 H new ATOM 0 HG2 ARG A 12 1.326 4.745 -5.400 1.00 24.22 H new ATOM 0 HG3 ARG A 12 3.006 4.250 -5.339 1.00 24.22 H new ATOM 0 HD2 ARG A 12 2.841 6.052 -6.929 1.00 45.14 H new ATOM 0 HD3 ARG A 12 3.153 4.581 -7.829 1.00 45.14 H new ATOM 0 HE ARG A 12 0.307 5.046 -7.621 1.00 33.15 H new ATOM 0 HH11 ARG A 12 3.239 6.120 -9.268 1.00 20.12 H new ATOM 0 HH12 ARG A 12 2.368 6.680 -10.699 1.00 20.12 H new ATOM 0 HH21 ARG A 12 -0.804 5.766 -9.464 1.00 13.24 H new ATOM 0 HH22 ARG A 12 0.090 6.480 -10.810 1.00 13.24 H new ATOM 247 N ARG A 13 4.772 2.494 -5.252 1.00 54.35 N ATOM 248 CA ARG A 13 5.659 2.343 -4.106 1.00 10.34 C ATOM 249 C ARG A 13 4.868 2.357 -2.801 1.00 1.13 C ATOM 250 O ARG A 13 4.305 3.382 -2.416 1.00 20.13 O ATOM 251 CB ARG A 13 6.705 3.460 -4.092 1.00 73.34 C ATOM 252 CG ARG A 13 7.624 3.448 -5.303 1.00 73.20 C ATOM 253 CD ARG A 13 8.986 4.039 -4.975 1.00 15.55 C ATOM 254 NE ARG A 13 8.874 5.340 -4.320 1.00 13.20 N ATOM 255 CZ ARG A 13 9.852 5.892 -3.611 1.00 13.53 C ATOM 256 NH1 ARG A 13 11.008 5.261 -3.465 1.00 61.55 N ATOM 257 NH2 ARG A 13 9.674 7.080 -3.045 1.00 71.42 N ATOM 0 H ARG A 13 5.012 3.267 -5.872 1.00 54.35 H new ATOM 0 HA ARG A 13 6.165 1.382 -4.195 1.00 10.34 H new ATOM 0 HB2 ARG A 13 6.196 4.423 -4.042 1.00 73.34 H new ATOM 0 HB3 ARG A 13 7.308 3.371 -3.188 1.00 73.34 H new ATOM 0 HG2 ARG A 13 7.746 2.425 -5.658 1.00 73.20 H new ATOM 0 HG3 ARG A 13 7.166 4.014 -6.114 1.00 73.20 H new ATOM 0 HD2 ARG A 13 9.533 3.353 -4.328 1.00 15.55 H new ATOM 0 HD3 ARG A 13 9.566 4.143 -5.892 1.00 15.55 H new ATOM 0 HE ARG A 13 7.997 5.852 -4.412 1.00 13.20 H new ATOM 0 HH11 ARG A 13 11.149 4.348 -3.898 1.00 61.55 H new ATOM 0 HH12 ARG A 13 11.757 5.688 -2.920 1.00 61.55 H new ATOM 0 HH21 ARG A 13 8.786 7.569 -3.155 1.00 71.42 H new ATOM 0 HH22 ARG A 13 10.426 7.503 -2.501 1.00 71.42 H new TER 271 ARG A 13