USER MOD reduce.3.24.130724 H: found=0, std=0, add=141, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 139 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 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 18:sc= 0.935 USER MOD Single : A 15 THR OG1 : rot 180:sc=-0.00025 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.165 12.749 -1.757 1.00 0.00 N ATOM 2 CA PRO A 1 1.974 12.441 -2.912 1.00 0.00 C ATOM 3 C PRO A 1 2.697 11.098 -2.768 1.00 0.00 C ATOM 4 O PRO A 1 3.476 10.699 -3.638 1.00 0.00 O ATOM 5 CB PRO A 1 2.976 13.593 -2.939 1.00 0.00 C ATOM 6 CG PRO A 1 3.168 13.964 -1.503 1.00 0.00 C ATOM 7 CD PRO A 1 1.898 13.581 -0.777 1.00 0.00 C ATOM 0 H2 PRO A 1 0.866 11.882 -1.311 1.00 0.00 H new ATOM 0 H3 PRO A 1 0.321 13.238 -2.054 1.00 0.00 H new ATOM 0 HA PRO A 1 1.384 12.346 -3.823 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.917 13.289 -3.398 1.00 0.00 H new ATOM 0 HB3 PRO A 1 2.596 14.435 -3.518 1.00 0.00 H new ATOM 0 HG2 PRO A 1 4.027 13.442 -1.081 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.363 15.032 -1.403 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.112 13.027 0.137 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.322 14.460 -0.489 1.00 0.00 H new ATOM 15 N VAL A 2 2.432 10.387 -1.684 1.00 0.00 N ATOM 16 CA VAL A 2 3.124 9.158 -1.442 1.00 0.00 C ATOM 17 C VAL A 2 2.156 7.983 -1.445 1.00 0.00 C ATOM 18 O VAL A 2 1.204 7.930 -0.662 1.00 0.00 O ATOM 19 CB VAL A 2 3.919 9.186 -0.114 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.796 7.955 -0.005 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.761 10.451 0.001 1.00 0.00 C ATOM 0 H VAL A 2 1.749 10.646 -0.972 1.00 0.00 H new ATOM 0 HA VAL A 2 3.840 9.034 -2.254 1.00 0.00 H new ATOM 0 HB VAL A 2 3.204 9.186 0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.351 7.985 0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.173 7.061 -0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.496 7.932 -0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.307 10.440 0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.468 10.494 -0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.111 11.325 -0.032 1.00 0.00 H new ATOM 31 N THR A 3 2.369 7.080 -2.346 1.00 0.00 N ATOM 32 CA THR A 3 1.581 5.900 -2.427 1.00 0.00 C ATOM 33 C THR A 3 2.421 4.710 -1.974 1.00 0.00 C ATOM 34 O THR A 3 3.581 4.562 -2.382 1.00 0.00 O ATOM 35 CB THR A 3 1.066 5.700 -3.865 1.00 0.00 C ATOM 36 OG1 THR A 3 0.347 6.885 -4.255 1.00 0.00 O ATOM 37 CG2 THR A 3 0.144 4.485 -3.957 1.00 0.00 C ATOM 0 H THR A 3 3.103 7.144 -3.052 1.00 0.00 H new ATOM 0 HA THR A 3 0.713 5.990 -1.774 1.00 0.00 H new ATOM 0 HB THR A 3 1.913 5.526 -4.529 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.012 6.778 -5.170 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.204 4.369 -4.983 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.689 3.591 -3.655 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.712 4.627 -3.298 1.00 0.00 H new ATOM 45 N TRP A 4 1.870 3.912 -1.110 1.00 0.00 N ATOM 46 CA TRP A 4 2.550 2.745 -0.615 1.00 0.00 C ATOM 47 C TRP A 4 1.796 1.522 -1.037 1.00 0.00 C ATOM 48 O TRP A 4 0.679 1.296 -0.572 1.00 0.00 O ATOM 49 CB TRP A 4 2.641 2.759 0.918 1.00 0.00 C ATOM 50 CG TRP A 4 3.380 3.922 1.490 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.850 5.110 1.895 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.786 4.007 1.725 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.842 5.926 2.378 1.00 0.00 N ATOM 54 CE2 TRP A 4 5.040 5.272 2.280 1.00 0.00 C ATOM 55 CE3 TRP A 4 5.853 3.135 1.523 1.00 0.00 C ATOM 56 CZ2 TRP A 4 6.320 5.687 2.633 1.00 0.00 C ATOM 57 CZ3 TRP A 4 7.121 3.547 1.869 1.00 0.00 C ATOM 58 CH2 TRP A 4 7.345 4.814 2.420 1.00 0.00 C ATOM 0 H TRP A 4 0.935 4.049 -0.726 1.00 0.00 H new ATOM 0 HA TRP A 4 3.560 2.741 -1.025 1.00 0.00 H new ATOM 0 HB2 TRP A 4 1.631 2.751 1.328 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.126 1.840 1.248 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.803 5.371 1.844 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.708 6.866 2.749 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.689 2.154 1.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.495 6.664 3.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.957 2.881 1.712 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.351 5.106 2.682 1.00 0.00 H new ATOM 69 N CYS A 5 2.344 0.784 -1.956 1.00 0.00 N ATOM 70 CA CYS A 5 1.760 -0.470 -2.340 1.00 0.00 C ATOM 71 C CYS A 5 2.465 -1.575 -1.610 1.00 0.00 C ATOM 72 O CYS A 5 3.574 -1.972 -1.976 1.00 0.00 O ATOM 73 CB CYS A 5 1.813 -0.692 -3.850 1.00 0.00 C ATOM 74 SG CYS A 5 0.873 0.538 -4.817 1.00 0.00 S ATOM 0 H CYS A 5 3.198 1.029 -2.457 1.00 0.00 H new ATOM 0 HA CYS A 5 0.704 -0.460 -2.068 1.00 0.00 H new ATOM 0 HB2 CYS A 5 2.854 -0.674 -4.173 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.427 -1.686 -4.074 1.00 0.00 H new ATOM 79 N VAL A 6 1.852 -2.039 -0.558 1.00 0.00 N ATOM 80 CA VAL A 6 2.431 -3.067 0.255 1.00 0.00 C ATOM 81 C VAL A 6 1.846 -4.407 -0.106 1.00 0.00 C ATOM 82 O VAL A 6 0.662 -4.521 -0.418 1.00 0.00 O ATOM 83 CB VAL A 6 2.275 -2.795 1.777 1.00 0.00 C ATOM 84 CG1 VAL A 6 3.074 -1.562 2.176 1.00 0.00 C ATOM 85 CG2 VAL A 6 0.806 -2.623 2.163 1.00 0.00 C ATOM 0 H VAL A 6 0.938 -1.715 -0.241 1.00 0.00 H new ATOM 0 HA VAL A 6 3.501 -3.070 0.048 1.00 0.00 H new ATOM 0 HB VAL A 6 2.664 -3.660 2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.956 -1.382 3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.128 -1.722 1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.711 -0.697 1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.731 -2.434 3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.382 -1.781 1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.256 -3.531 1.915 1.00 0.00 H new ATOM 95 N ARG A 7 2.679 -5.389 -0.120 1.00 0.00 N ATOM 96 CA ARG A 7 2.307 -6.724 -0.490 1.00 0.00 C ATOM 97 C ARG A 7 2.207 -7.581 0.754 1.00 0.00 C ATOM 98 O ARG A 7 3.228 -7.988 1.320 1.00 0.00 O ATOM 99 CB ARG A 7 3.362 -7.283 -1.438 1.00 0.00 C ATOM 100 CG ARG A 7 3.519 -6.481 -2.719 1.00 0.00 C ATOM 101 CD ARG A 7 4.825 -6.796 -3.411 1.00 0.00 C ATOM 102 NE ARG A 7 5.967 -6.414 -2.573 1.00 0.00 N ATOM 103 CZ ARG A 7 7.102 -5.879 -3.020 1.00 0.00 C ATOM 104 NH1 ARG A 7 7.299 -5.703 -4.322 1.00 0.00 N ATOM 105 NH2 ARG A 7 8.045 -5.533 -2.155 1.00 0.00 N ATOM 0 H ARG A 7 3.663 -5.291 0.130 1.00 0.00 H new ATOM 0 HA ARG A 7 1.339 -6.722 -0.991 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.321 -7.316 -0.921 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.101 -8.310 -1.693 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.688 -6.699 -3.390 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.474 -5.416 -2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.874 -7.861 -3.636 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.874 -6.267 -4.363 1.00 0.00 H new ATOM 0 HE ARG A 7 5.885 -6.571 -1.568 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.578 -5.978 -4.989 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.171 -5.292 -4.655 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.898 -5.677 -1.156 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.917 -5.123 -2.488 1.00 0.00 H new ATOM 119 N ILE A 8 1.006 -7.821 1.197 1.00 0.00 N ATOM 120 CA ILE A 8 0.769 -8.605 2.385 1.00 0.00 C ATOM 121 C ILE A 8 0.192 -9.956 1.973 1.00 0.00 C ATOM 122 O ILE A 8 -0.995 -10.042 1.636 1.00 0.00 O ATOM 123 CB ILE A 8 -0.238 -7.894 3.329 1.00 0.00 C ATOM 124 CG1 ILE A 8 0.238 -6.466 3.632 1.00 0.00 C ATOM 125 CG2 ILE A 8 -0.404 -8.690 4.631 1.00 0.00 C ATOM 126 CD1 ILE A 8 -0.756 -5.638 4.412 1.00 0.00 C ATOM 0 H ILE A 8 0.157 -7.479 0.746 1.00 0.00 H new ATOM 0 HA ILE A 8 1.712 -8.732 2.916 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.206 -7.841 2.831 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.172 -6.517 4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.458 -5.960 2.692 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -1.113 -8.179 5.282 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.776 -9.688 4.402 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.559 -8.769 5.135 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.345 -4.644 4.585 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.683 -5.554 3.845 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.958 -6.119 5.369 1.00 0.00 H new ATOM 152 N PRO A 10 -1.325 -12.676 0.008 1.00 0.00 N ATOM 153 CA PRO A 10 -2.012 -12.706 -1.273 1.00 0.00 C ATOM 154 C PRO A 10 -2.753 -11.396 -1.570 1.00 0.00 C ATOM 155 O PRO A 10 -3.505 -11.304 -2.537 1.00 0.00 O ATOM 156 CB PRO A 10 -3.013 -13.830 -1.053 1.00 0.00 C ATOM 157 CG PRO A 10 -3.410 -13.705 0.385 1.00 0.00 C ATOM 158 CD PRO A 10 -2.233 -13.087 1.108 1.00 0.00 C ATOM 0 HA PRO A 10 -1.335 -12.843 -2.116 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.875 -13.728 -1.713 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.568 -14.803 -1.258 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.298 -13.082 0.489 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.654 -14.681 0.806 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -2.538 -12.235 1.716 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.754 -13.801 1.778 1.00 0.00 H new ATOM 166 N THR A 11 -2.546 -10.403 -0.741 1.00 0.00 N ATOM 167 CA THR A 11 -3.245 -9.152 -0.867 1.00 0.00 C ATOM 168 C THR A 11 -2.298 -7.960 -0.897 1.00 0.00 C ATOM 169 O THR A 11 -1.555 -7.717 0.056 1.00 0.00 O ATOM 170 CB THR A 11 -4.270 -8.988 0.286 1.00 0.00 C ATOM 171 OG1 THR A 11 -3.687 -9.425 1.536 1.00 0.00 O ATOM 172 CG2 THR A 11 -5.544 -9.776 0.015 1.00 0.00 C ATOM 0 H THR A 11 -1.889 -10.441 0.038 1.00 0.00 H new ATOM 0 HA THR A 11 -3.771 -9.174 -1.821 1.00 0.00 H new ATOM 0 HB THR A 11 -4.529 -7.931 0.351 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.711 -9.451 1.450 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.240 -9.639 0.843 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.003 -9.420 -0.908 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.303 -10.834 -0.084 1.00 0.00 H new ATOM 180 N VAL A 12 -2.281 -7.250 -1.995 1.00 0.00 N ATOM 181 CA VAL A 12 -1.505 -6.036 -2.066 1.00 0.00 C ATOM 182 C VAL A 12 -2.422 -4.867 -1.741 1.00 0.00 C ATOM 183 O VAL A 12 -3.636 -4.953 -1.967 1.00 0.00 O ATOM 184 CB VAL A 12 -0.824 -5.827 -3.451 1.00 0.00 C ATOM 185 CG1 VAL A 12 0.038 -7.024 -3.810 1.00 0.00 C ATOM 186 CG2 VAL A 12 -1.841 -5.551 -4.545 1.00 0.00 C ATOM 0 H VAL A 12 -2.790 -7.487 -2.846 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.693 -6.107 -1.343 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.185 -4.948 -3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.505 -6.858 -4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.811 -7.155 -3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.582 -7.919 -3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.325 -5.411 -5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.527 -6.394 -4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.402 -4.649 -4.301 1.00 0.00 H new ATOM 196 N ARG A 13 -1.881 -3.827 -1.182 1.00 0.00 N ATOM 197 CA ARG A 13 -2.663 -2.670 -0.818 1.00 0.00 C ATOM 198 C ARG A 13 -1.923 -1.404 -1.182 1.00 0.00 C ATOM 199 O ARG A 13 -0.822 -1.171 -0.697 1.00 0.00 O ATOM 200 CB ARG A 13 -2.959 -2.690 0.686 1.00 0.00 C ATOM 201 CG ARG A 13 -3.790 -1.516 1.188 1.00 0.00 C ATOM 202 CD ARG A 13 -4.043 -1.623 2.683 1.00 0.00 C ATOM 203 NE ARG A 13 -2.795 -1.612 3.460 1.00 0.00 N ATOM 204 CZ ARG A 13 -2.541 -2.377 4.539 1.00 0.00 C ATOM 205 NH1 ARG A 13 -3.394 -3.343 4.899 1.00 0.00 N ATOM 206 NH2 ARG A 13 -1.404 -2.203 5.217 1.00 0.00 N ATOM 0 H ARG A 13 -0.888 -3.750 -0.963 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.605 -2.696 -1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.481 -3.616 0.927 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.014 -2.706 1.228 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.273 -0.581 0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.741 -1.486 0.656 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.675 -0.795 3.003 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.591 -2.542 2.892 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.061 -0.972 3.157 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.242 -3.503 4.355 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.196 -3.919 5.717 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.735 -1.494 4.917 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.205 -2.779 6.035 1.00 0.00 H new ATOM 220 N CYS A 14 -2.506 -0.612 -2.043 1.00 0.00 N ATOM 221 CA CYS A 14 -1.926 0.660 -2.417 1.00 0.00 C ATOM 222 C CYS A 14 -2.607 1.789 -1.685 1.00 0.00 C ATOM 223 O CYS A 14 -3.718 2.176 -2.032 1.00 0.00 O ATOM 224 CB CYS A 14 -2.003 0.893 -3.927 1.00 0.00 C ATOM 225 SG CYS A 14 -0.999 -0.255 -4.919 1.00 0.00 S ATOM 0 H CYS A 14 -3.390 -0.824 -2.505 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.874 0.634 -2.134 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.043 0.811 -4.242 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.684 1.913 -4.141 1.00 0.00 H new ATOM 230 N THR A 15 -1.984 2.279 -0.653 1.00 0.00 N ATOM 231 CA THR A 15 -2.529 3.391 0.055 1.00 0.00 C ATOM 232 C THR A 15 -1.946 4.680 -0.502 1.00 0.00 C ATOM 233 O THR A 15 -0.714 4.869 -0.548 1.00 0.00 O ATOM 234 CB THR A 15 -2.348 3.290 1.609 1.00 0.00 C ATOM 235 OG1 THR A 15 -2.932 4.430 2.258 1.00 0.00 O ATOM 236 CG2 THR A 15 -0.885 3.192 2.004 1.00 0.00 C ATOM 0 H THR A 15 -1.101 1.924 -0.287 1.00 0.00 H new ATOM 0 HA THR A 15 -3.608 3.386 -0.102 1.00 0.00 H new ATOM 0 HB THR A 15 -2.854 2.379 1.929 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.812 4.351 3.227 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.805 3.124 3.089 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.445 2.304 1.551 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.354 4.078 1.656 1.00 0.00 H new ATOM 244 N VAL A 16 -2.808 5.514 -0.995 1.00 0.00 N ATOM 245 CA VAL A 16 -2.417 6.783 -1.528 1.00 0.00 C ATOM 246 C VAL A 16 -2.603 7.815 -0.451 1.00 0.00 C ATOM 247 O VAL A 16 -3.738 8.160 -0.095 1.00 0.00 O ATOM 248 CB VAL A 16 -3.247 7.188 -2.781 1.00 0.00 C ATOM 249 CG1 VAL A 16 -2.760 8.520 -3.351 1.00 0.00 C ATOM 250 CG2 VAL A 16 -3.188 6.108 -3.846 1.00 0.00 C ATOM 0 H VAL A 16 -3.811 5.332 -1.039 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.376 6.716 -1.846 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.284 7.305 -2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.356 8.781 -4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.864 9.299 -2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.712 8.431 -3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.776 6.417 -4.710 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.153 5.952 -4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.593 5.179 -3.445 1.00 0.00 H new ATOM 260 N ARG A 17 -1.519 8.246 0.111 1.00 0.00 N ATOM 261 CA ARG A 17 -1.547 9.253 1.121 1.00 0.00 C ATOM 262 C ARG A 17 -0.761 10.457 0.626 1.00 0.00 C ATOM 263 O ARG A 17 0.485 10.427 0.570 1.00 0.00 O ATOM 264 CB ARG A 17 -1.012 8.716 2.458 1.00 0.00 C ATOM 265 CG ARG A 17 -1.900 7.627 3.067 1.00 0.00 C ATOM 266 CD ARG A 17 -1.367 7.131 4.402 1.00 0.00 C ATOM 267 NE ARG A 17 -0.084 6.420 4.278 1.00 0.00 N ATOM 268 CZ ARG A 17 1.014 6.679 5.018 1.00 0.00 C ATOM 269 NH1 ARG A 17 1.039 7.712 5.849 1.00 0.00 N ATOM 270 NH2 ARG A 17 2.086 5.921 4.899 1.00 0.00 N ATOM 0 H ARG A 17 -0.585 7.907 -0.120 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.576 9.559 1.311 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.009 8.316 2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.923 9.541 3.165 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.909 8.017 3.203 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.973 6.790 2.373 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.243 7.979 5.076 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.102 6.467 4.857 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.020 5.677 3.582 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.223 8.319 5.933 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.874 7.900 6.404 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.086 5.137 4.247 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.915 6.119 5.459 1.00 0.00 H new