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 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.596 12.453 -2.488 1.00 0.00 N ATOM 2 CA PRO A 1 1.180 12.025 -3.750 1.00 0.00 C ATOM 3 C PRO A 1 2.026 10.746 -3.600 1.00 0.00 C ATOM 4 O PRO A 1 2.663 10.282 -4.562 1.00 0.00 O ATOM 5 CB PRO A 1 2.078 13.204 -4.092 1.00 0.00 C ATOM 6 CG PRO A 1 2.573 13.695 -2.770 1.00 0.00 C ATOM 7 CD PRO A 1 1.488 13.390 -1.765 1.00 0.00 C ATOM 0 H2 PRO A 1 0.412 11.638 -1.903 1.00 0.00 H new ATOM 0 H3 PRO A 1 -0.302 12.904 -2.663 1.00 0.00 H new ATOM 0 HA PRO A 1 0.430 11.782 -4.502 1.00 0.00 H new ATOM 0 HB2 PRO A 1 2.903 12.900 -4.737 1.00 0.00 H new ATOM 0 HB3 PRO A 1 1.528 13.981 -4.623 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.505 13.200 -2.497 1.00 0.00 H new ATOM 0 HG3 PRO A 1 2.779 14.765 -2.806 1.00 0.00 H new ATOM 0 HD2 PRO A 1 1.895 12.938 -0.860 1.00 0.00 H new ATOM 0 HD3 PRO A 1 0.959 14.293 -1.460 1.00 0.00 H new ATOM 15 N VAL A 2 2.039 10.183 -2.413 1.00 0.00 N ATOM 16 CA VAL A 2 2.847 9.022 -2.138 1.00 0.00 C ATOM 17 C VAL A 2 1.953 7.800 -1.999 1.00 0.00 C ATOM 18 O VAL A 2 0.996 7.814 -1.238 1.00 0.00 O ATOM 19 CB VAL A 2 3.677 9.214 -0.836 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.582 8.027 -0.592 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.497 10.494 -0.896 1.00 0.00 C ATOM 0 H VAL A 2 1.493 10.516 -1.618 1.00 0.00 H new ATOM 0 HA VAL A 2 3.539 8.881 -2.968 1.00 0.00 H new ATOM 0 HB VAL A 2 2.975 9.292 -0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.151 8.186 0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.979 7.124 -0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.269 7.914 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.068 10.604 0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.182 10.448 -1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.830 11.348 -1.014 1.00 0.00 H new ATOM 31 N THR A 3 2.243 6.775 -2.737 1.00 0.00 N ATOM 32 CA THR A 3 1.480 5.571 -2.661 1.00 0.00 C ATOM 33 C THR A 3 2.345 4.458 -2.113 1.00 0.00 C ATOM 34 O THR A 3 3.355 4.084 -2.709 1.00 0.00 O ATOM 35 CB THR A 3 0.911 5.192 -4.034 1.00 0.00 C ATOM 36 OG1 THR A 3 0.179 6.310 -4.542 1.00 0.00 O ATOM 37 CG2 THR A 3 -0.021 3.991 -3.927 1.00 0.00 C ATOM 0 H THR A 3 3.012 6.750 -3.406 1.00 0.00 H new ATOM 0 HA THR A 3 0.637 5.731 -1.989 1.00 0.00 H new ATOM 0 HB THR A 3 1.733 4.929 -4.700 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.191 6.086 -5.421 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.410 3.743 -4.915 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.529 3.138 -3.530 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.849 4.231 -3.260 1.00 0.00 H new ATOM 45 N TRP A 4 1.974 3.969 -0.972 1.00 0.00 N ATOM 46 CA TRP A 4 2.683 2.908 -0.334 1.00 0.00 C ATOM 47 C TRP A 4 2.014 1.599 -0.673 1.00 0.00 C ATOM 48 O TRP A 4 0.948 1.288 -0.140 1.00 0.00 O ATOM 49 CB TRP A 4 2.683 3.095 1.187 1.00 0.00 C ATOM 50 CG TRP A 4 3.299 4.375 1.666 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.641 5.493 2.097 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.696 4.670 1.759 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.548 6.458 2.471 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.813 5.980 2.266 1.00 0.00 C ATOM 55 CE3 TRP A 4 5.858 3.955 1.469 1.00 0.00 C ATOM 56 CZ2 TRP A 4 6.044 6.581 2.485 1.00 0.00 C ATOM 57 CZ3 TRP A 4 7.079 4.557 1.687 1.00 0.00 C ATOM 58 CH2 TRP A 4 7.162 5.857 2.191 1.00 0.00 C ATOM 0 H TRP A 4 1.161 4.300 -0.452 1.00 0.00 H new ATOM 0 HA TRP A 4 3.715 2.910 -0.686 1.00 0.00 H new ATOM 0 HB2 TRP A 4 1.654 3.048 1.544 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.216 2.260 1.641 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.567 5.603 2.138 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.315 7.380 2.841 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.802 2.949 1.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.115 7.586 2.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.986 4.015 1.464 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.134 6.299 2.352 1.00 0.00 H new ATOM 69 N CYS A 5 2.567 0.878 -1.601 1.00 0.00 N ATOM 70 CA CYS A 5 2.033 -0.414 -1.936 1.00 0.00 C ATOM 71 C CYS A 5 2.746 -1.486 -1.143 1.00 0.00 C ATOM 72 O CYS A 5 3.914 -1.791 -1.381 1.00 0.00 O ATOM 73 CB CYS A 5 2.083 -0.679 -3.443 1.00 0.00 C ATOM 74 SG CYS A 5 1.069 0.473 -4.444 1.00 0.00 S ATOM 0 H CYS A 5 3.386 1.158 -2.140 1.00 0.00 H new ATOM 0 HA CYS A 5 0.978 -0.434 -1.663 1.00 0.00 H new ATOM 0 HB2 CYS A 5 3.119 -0.617 -3.777 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.747 -1.699 -3.632 1.00 0.00 H new ATOM 79 N VAL A 6 2.060 -1.997 -0.165 1.00 0.00 N ATOM 80 CA VAL A 6 2.581 -3.023 0.689 1.00 0.00 C ATOM 81 C VAL A 6 1.894 -4.337 0.360 1.00 0.00 C ATOM 82 O VAL A 6 0.677 -4.377 0.151 1.00 0.00 O ATOM 83 CB VAL A 6 2.407 -2.657 2.210 1.00 0.00 C ATOM 84 CG1 VAL A 6 0.952 -2.359 2.569 1.00 0.00 C ATOM 85 CG2 VAL A 6 2.957 -3.757 3.113 1.00 0.00 C ATOM 0 H VAL A 6 1.109 -1.709 0.066 1.00 0.00 H new ATOM 0 HA VAL A 6 3.652 -3.119 0.511 1.00 0.00 H new ATOM 0 HB VAL A 6 2.984 -1.748 2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.882 -2.112 3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.596 -1.517 1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.339 -3.235 2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.821 -3.473 4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.424 -4.688 2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.019 -3.897 2.910 1.00 0.00 H new ATOM 95 N ARG A 7 2.652 -5.386 0.260 1.00 0.00 N ATOM 96 CA ARG A 7 2.072 -6.660 -0.020 1.00 0.00 C ATOM 97 C ARG A 7 1.741 -7.374 1.271 1.00 0.00 C ATOM 98 O ARG A 7 2.572 -7.473 2.182 1.00 0.00 O ATOM 99 CB ARG A 7 2.958 -7.530 -0.928 1.00 0.00 C ATOM 100 CG ARG A 7 4.327 -7.877 -0.366 1.00 0.00 C ATOM 101 CD ARG A 7 5.071 -8.807 -1.293 1.00 0.00 C ATOM 102 NE ARG A 7 6.390 -9.175 -0.772 1.00 0.00 N ATOM 103 CZ ARG A 7 7.041 -10.304 -1.075 1.00 0.00 C ATOM 104 NH1 ARG A 7 6.453 -11.228 -1.833 1.00 0.00 N ATOM 105 NH2 ARG A 7 8.267 -10.520 -0.601 1.00 0.00 N ATOM 0 H ARG A 7 3.666 -5.384 0.367 1.00 0.00 H new ATOM 0 HA ARG A 7 1.150 -6.485 -0.575 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.427 -8.457 -1.144 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.095 -7.012 -1.877 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.906 -6.965 -0.218 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.215 -8.345 0.612 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.480 -9.709 -1.449 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.188 -8.330 -2.266 1.00 0.00 H new ATOM 0 HE ARG A 7 6.845 -8.524 -0.132 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.507 -11.075 -2.182 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.949 -12.089 -2.064 1.00 0.00 H new ATOM 0 HH21 ARG A 7 8.713 -9.823 -0.004 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.760 -11.382 -0.835 1.00 0.00 H new ATOM 119 N ILE A 8 0.525 -7.801 1.370 1.00 0.00 N ATOM 120 CA ILE A 8 0.047 -8.550 2.485 1.00 0.00 C ATOM 121 C ILE A 8 -0.426 -9.895 1.928 1.00 0.00 C ATOM 122 O ILE A 8 -1.580 -10.036 1.478 1.00 0.00 O ATOM 123 CB ILE A 8 -1.123 -7.812 3.213 1.00 0.00 C ATOM 124 CG1 ILE A 8 -0.686 -6.386 3.610 1.00 0.00 C ATOM 125 CG2 ILE A 8 -1.556 -8.593 4.451 1.00 0.00 C ATOM 126 CD1 ILE A 8 -1.775 -5.544 4.242 1.00 0.00 C ATOM 0 H ILE A 8 -0.184 -7.633 0.656 1.00 0.00 H new ATOM 0 HA ILE A 8 0.835 -8.680 3.227 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.970 -7.744 2.531 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.150 -6.457 4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.318 -5.873 2.722 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.371 -8.066 4.947 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.893 -9.587 4.155 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.713 -8.685 5.136 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.377 -4.559 4.488 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.604 -5.436 3.542 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.129 -6.030 5.151 1.00 0.00 H new ATOM 152 N PRO A 10 -1.247 -12.436 -0.705 1.00 0.00 N ATOM 153 CA PRO A 10 -1.640 -12.278 -2.088 1.00 0.00 C ATOM 154 C PRO A 10 -2.383 -10.954 -2.349 1.00 0.00 C ATOM 155 O PRO A 10 -2.806 -10.683 -3.469 1.00 0.00 O ATOM 156 CB PRO A 10 -2.565 -13.457 -2.304 1.00 0.00 C ATOM 157 CG PRO A 10 -3.223 -13.666 -0.982 1.00 0.00 C ATOM 158 CD PRO A 10 -2.244 -13.200 0.066 1.00 0.00 C ATOM 0 HA PRO A 10 -0.783 -12.248 -2.760 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.298 -13.248 -3.083 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.012 -14.343 -2.616 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.154 -13.103 -0.920 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.475 -14.716 -0.837 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -2.729 -12.580 0.820 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.788 -14.040 0.590 1.00 0.00 H new ATOM 166 N THR A 11 -2.548 -10.143 -1.330 1.00 0.00 N ATOM 167 CA THR A 11 -3.229 -8.891 -1.489 1.00 0.00 C ATOM 168 C THR A 11 -2.223 -7.752 -1.393 1.00 0.00 C ATOM 169 O THR A 11 -1.454 -7.673 -0.444 1.00 0.00 O ATOM 170 CB THR A 11 -4.304 -8.718 -0.397 1.00 0.00 C ATOM 171 OG1 THR A 11 -5.166 -9.884 -0.374 1.00 0.00 O ATOM 172 CG2 THR A 11 -5.159 -7.482 -0.651 1.00 0.00 C ATOM 0 H THR A 11 -2.218 -10.333 -0.384 1.00 0.00 H new ATOM 0 HA THR A 11 -3.714 -8.877 -2.465 1.00 0.00 H new ATOM 0 HB THR A 11 -3.794 -8.601 0.559 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.847 -9.773 0.322 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.907 -7.389 0.136 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.525 -6.596 -0.656 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.658 -7.577 -1.616 1.00 0.00 H new ATOM 180 N VAL A 12 -2.209 -6.907 -2.366 1.00 0.00 N ATOM 181 CA VAL A 12 -1.349 -5.763 -2.335 1.00 0.00 C ATOM 182 C VAL A 12 -2.177 -4.553 -1.945 1.00 0.00 C ATOM 183 O VAL A 12 -3.217 -4.278 -2.545 1.00 0.00 O ATOM 184 CB VAL A 12 -0.577 -5.540 -3.683 1.00 0.00 C ATOM 185 CG1 VAL A 12 -1.518 -5.407 -4.872 1.00 0.00 C ATOM 186 CG2 VAL A 12 0.349 -4.329 -3.591 1.00 0.00 C ATOM 0 H VAL A 12 -2.787 -6.984 -3.203 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.569 -5.930 -1.592 1.00 0.00 H new ATOM 0 HB VAL A 12 0.030 -6.430 -3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.936 -5.254 -5.781 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.112 -6.316 -4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.181 -4.555 -4.718 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.871 -4.198 -4.539 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.239 -3.437 -3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.076 -4.487 -2.795 1.00 0.00 H new ATOM 196 N ARG A 13 -1.765 -3.883 -0.921 1.00 0.00 N ATOM 197 CA ARG A 13 -2.482 -2.751 -0.445 1.00 0.00 C ATOM 198 C ARG A 13 -1.740 -1.485 -0.802 1.00 0.00 C ATOM 199 O ARG A 13 -0.629 -1.255 -0.335 1.00 0.00 O ATOM 200 CB ARG A 13 -2.715 -2.830 1.069 1.00 0.00 C ATOM 201 CG ARG A 13 -3.486 -1.642 1.584 1.00 0.00 C ATOM 202 CD ARG A 13 -3.752 -1.684 3.071 1.00 0.00 C ATOM 203 NE ARG A 13 -4.505 -0.487 3.480 1.00 0.00 N ATOM 204 CZ ARG A 13 -4.708 -0.076 4.740 1.00 0.00 C ATOM 205 NH1 ARG A 13 -4.231 -0.777 5.762 1.00 0.00 N ATOM 206 NH2 ARG A 13 -5.388 1.047 4.968 1.00 0.00 N ATOM 0 H ARG A 13 -0.922 -4.106 -0.392 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.460 -2.740 -0.927 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.258 -3.745 1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.755 -2.889 1.581 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.933 -0.733 1.349 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.438 -1.582 1.056 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.316 -2.582 3.323 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.810 -1.735 3.616 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.910 0.082 2.736 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.706 -1.635 5.591 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.390 -0.458 6.718 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.752 1.591 4.185 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.545 1.363 5.925 1.00 0.00 H new ATOM 220 N CYS A 14 -2.330 -0.689 -1.637 1.00 0.00 N ATOM 221 CA CYS A 14 -1.749 0.562 -2.013 1.00 0.00 C ATOM 222 C CYS A 14 -2.391 1.683 -1.229 1.00 0.00 C ATOM 223 O CYS A 14 -3.516 2.112 -1.518 1.00 0.00 O ATOM 224 CB CYS A 14 -1.823 0.786 -3.525 1.00 0.00 C ATOM 225 SG CYS A 14 -0.788 -0.374 -4.487 1.00 0.00 S ATOM 0 H CYS A 14 -3.228 -0.888 -2.078 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.688 0.546 -1.764 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.859 0.689 -3.848 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.514 1.807 -3.748 1.00 0.00 H new ATOM 230 N THR A 15 -1.714 2.084 -0.191 1.00 0.00 N ATOM 231 CA THR A 15 -2.159 3.124 0.681 1.00 0.00 C ATOM 232 C THR A 15 -1.639 4.465 0.168 1.00 0.00 C ATOM 233 O THR A 15 -0.427 4.704 0.120 1.00 0.00 O ATOM 234 CB THR A 15 -1.628 2.847 2.087 1.00 0.00 C ATOM 235 OG1 THR A 15 -1.989 1.497 2.457 1.00 0.00 O ATOM 236 CG2 THR A 15 -2.209 3.812 3.102 1.00 0.00 C ATOM 0 H THR A 15 -0.814 1.684 0.076 1.00 0.00 H new ATOM 0 HA THR A 15 -3.248 3.158 0.710 1.00 0.00 H new ATOM 0 HB THR A 15 -0.546 2.975 2.081 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.653 1.304 3.357 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.809 3.585 4.090 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.942 4.833 2.828 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.294 3.713 3.118 1.00 0.00 H new ATOM 244 N VAL A 16 -2.539 5.303 -0.246 1.00 0.00 N ATOM 245 CA VAL A 16 -2.185 6.576 -0.815 1.00 0.00 C ATOM 246 C VAL A 16 -2.178 7.653 0.254 1.00 0.00 C ATOM 247 O VAL A 16 -3.194 7.911 0.909 1.00 0.00 O ATOM 248 CB VAL A 16 -3.150 6.985 -1.964 1.00 0.00 C ATOM 249 CG1 VAL A 16 -2.717 8.297 -2.607 1.00 0.00 C ATOM 250 CG2 VAL A 16 -3.231 5.893 -3.012 1.00 0.00 C ATOM 0 H VAL A 16 -3.543 5.127 -0.201 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.184 6.474 -1.234 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.139 7.127 -1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.411 8.557 -3.407 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.716 9.087 -1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.714 8.187 -3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.911 6.201 -3.806 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.240 5.717 -3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.600 4.975 -2.554 1.00 0.00 H new ATOM 260 N ARG A 17 -1.043 8.248 0.441 1.00 0.00 N ATOM 261 CA ARG A 17 -0.873 9.342 1.350 1.00 0.00 C ATOM 262 C ARG A 17 -0.435 10.545 0.535 1.00 0.00 C ATOM 263 O ARG A 17 0.755 10.681 0.198 1.00 0.00 O ATOM 264 CB ARG A 17 0.167 9.018 2.437 1.00 0.00 C ATOM 265 CG ARG A 17 -0.196 7.835 3.329 1.00 0.00 C ATOM 266 CD ARG A 17 -1.512 8.071 4.051 1.00 0.00 C ATOM 267 NE ARG A 17 -1.883 6.950 4.917 1.00 0.00 N ATOM 268 CZ ARG A 17 -3.140 6.529 5.133 1.00 0.00 C ATOM 269 NH1 ARG A 17 -4.156 7.049 4.437 1.00 0.00 N ATOM 270 NH2 ARG A 17 -3.366 5.563 6.012 1.00 0.00 N ATOM 0 H ARG A 17 -0.187 7.982 -0.045 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.812 9.544 1.866 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.124 8.814 1.957 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.306 9.899 3.063 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.267 6.930 2.725 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.597 7.670 4.058 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.437 8.979 4.649 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.301 8.236 3.317 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.130 6.451 5.392 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.979 7.770 3.737 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.108 6.725 4.606 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.587 5.144 6.520 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.318 5.239 6.180 1.00 0.00 H new