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 0.971 12.577 -2.101 1.00 0.00 N ATOM 2 CA PRO A 1 1.482 12.276 -3.422 1.00 0.00 C ATOM 3 C PRO A 1 2.178 10.905 -3.500 1.00 0.00 C ATOM 4 O PRO A 1 2.650 10.505 -4.563 1.00 0.00 O ATOM 5 CB PRO A 1 2.496 13.395 -3.642 1.00 0.00 C ATOM 6 CG PRO A 1 3.047 13.681 -2.281 1.00 0.00 C ATOM 7 CD PRO A 1 1.950 13.352 -1.296 1.00 0.00 C ATOM 0 H2 PRO A 1 0.745 11.708 -1.617 1.00 0.00 H new ATOM 0 H3 PRO A 1 0.103 13.107 -2.184 1.00 0.00 H new ATOM 0 HA PRO A 1 0.689 12.223 -4.167 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.282 13.087 -4.331 1.00 0.00 H new ATOM 0 HB3 PRO A 1 2.024 14.278 -4.072 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.935 13.079 -2.088 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.345 14.726 -2.195 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.328 12.769 -0.456 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.501 14.254 -0.881 1.00 0.00 H new ATOM 15 N VAL A 2 2.248 10.184 -2.388 1.00 0.00 N ATOM 16 CA VAL A 2 2.978 8.925 -2.371 1.00 0.00 C ATOM 17 C VAL A 2 2.039 7.744 -2.205 1.00 0.00 C ATOM 18 O VAL A 2 1.257 7.684 -1.260 1.00 0.00 O ATOM 19 CB VAL A 2 4.054 8.887 -1.253 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.931 7.647 -1.384 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.903 10.141 -1.272 1.00 0.00 C ATOM 0 H VAL A 2 1.816 10.444 -1.501 1.00 0.00 H new ATOM 0 HA VAL A 2 3.481 8.851 -3.335 1.00 0.00 H new ATOM 0 HB VAL A 2 3.536 8.841 -0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.677 7.643 -0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.312 6.753 -1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.432 7.656 -2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.648 10.088 -0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.405 10.226 -2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.268 11.013 -1.115 1.00 0.00 H new ATOM 31 N THR A 3 2.119 6.819 -3.113 1.00 0.00 N ATOM 32 CA THR A 3 1.316 5.641 -3.060 1.00 0.00 C ATOM 33 C THR A 3 2.156 4.485 -2.512 1.00 0.00 C ATOM 34 O THR A 3 3.128 4.060 -3.143 1.00 0.00 O ATOM 35 CB THR A 3 0.792 5.288 -4.460 1.00 0.00 C ATOM 36 OG1 THR A 3 0.216 6.462 -5.054 1.00 0.00 O ATOM 37 CG2 THR A 3 -0.275 4.201 -4.377 1.00 0.00 C ATOM 0 H THR A 3 2.748 6.863 -3.915 1.00 0.00 H new ATOM 0 HA THR A 3 0.462 5.818 -2.406 1.00 0.00 H new ATOM 0 HB THR A 3 1.622 4.922 -5.064 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.119 6.245 -5.949 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.633 3.965 -5.379 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.152 3.306 -3.924 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.107 4.554 -3.768 1.00 0.00 H new ATOM 45 N TRP A 4 1.812 4.016 -1.343 1.00 0.00 N ATOM 46 CA TRP A 4 2.517 2.920 -0.721 1.00 0.00 C ATOM 47 C TRP A 4 1.749 1.640 -0.947 1.00 0.00 C ATOM 48 O TRP A 4 0.680 1.446 -0.371 1.00 0.00 O ATOM 49 CB TRP A 4 2.666 3.140 0.791 1.00 0.00 C ATOM 50 CG TRP A 4 3.436 4.360 1.176 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.924 5.583 1.502 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.858 4.478 1.288 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.943 6.449 1.817 1.00 0.00 N ATOM 54 CE2 TRP A 4 5.138 5.797 1.687 1.00 0.00 C ATOM 55 CE3 TRP A 4 5.921 3.596 1.085 1.00 0.00 C ATOM 56 CZ2 TRP A 4 6.435 6.253 1.888 1.00 0.00 C ATOM 57 CZ3 TRP A 4 7.208 4.049 1.285 1.00 0.00 C ATOM 58 CH2 TRP A 4 7.454 5.367 1.683 1.00 0.00 C ATOM 0 H TRP A 4 1.035 4.381 -0.792 1.00 0.00 H new ATOM 0 HA TRP A 4 3.510 2.860 -1.167 1.00 0.00 H new ATOM 0 HB2 TRP A 4 1.672 3.201 1.234 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.155 2.268 1.224 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.873 5.833 1.511 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.827 7.421 2.102 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.739 2.577 0.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.630 7.270 2.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 8.039 3.376 1.132 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.473 5.692 1.832 1.00 0.00 H new ATOM 69 N CYS A 5 2.237 0.807 -1.806 1.00 0.00 N ATOM 70 CA CYS A 5 1.617 -0.468 -2.012 1.00 0.00 C ATOM 71 C CYS A 5 2.306 -1.495 -1.142 1.00 0.00 C ATOM 72 O CYS A 5 3.466 -1.872 -1.381 1.00 0.00 O ATOM 73 CB CYS A 5 1.610 -0.870 -3.495 1.00 0.00 C ATOM 74 SG CYS A 5 0.736 0.325 -4.589 1.00 0.00 S ATOM 0 H CYS A 5 3.063 0.982 -2.378 1.00 0.00 H new ATOM 0 HA CYS A 5 0.569 -0.408 -1.720 1.00 0.00 H new ATOM 0 HB2 CYS A 5 2.639 -0.975 -3.838 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.140 -1.848 -3.594 1.00 0.00 H new ATOM 79 N VAL A 6 1.630 -1.874 -0.091 1.00 0.00 N ATOM 80 CA VAL A 6 2.139 -2.835 0.854 1.00 0.00 C ATOM 81 C VAL A 6 1.538 -4.184 0.543 1.00 0.00 C ATOM 82 O VAL A 6 0.486 -4.262 -0.095 1.00 0.00 O ATOM 83 CB VAL A 6 1.818 -2.428 2.323 1.00 0.00 C ATOM 84 CG1 VAL A 6 2.527 -1.135 2.685 1.00 0.00 C ATOM 85 CG2 VAL A 6 0.312 -2.278 2.539 1.00 0.00 C ATOM 0 H VAL A 6 0.700 -1.521 0.137 1.00 0.00 H new ATOM 0 HA VAL A 6 3.224 -2.874 0.762 1.00 0.00 H new ATOM 0 HB VAL A 6 2.179 -3.224 2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.291 -0.867 3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.604 -1.270 2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.196 -0.339 2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.119 -1.993 3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.076 -1.508 1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.182 -3.226 2.325 1.00 0.00 H new ATOM 95 N ARG A 7 2.177 -5.228 0.966 1.00 0.00 N ATOM 96 CA ARG A 7 1.711 -6.542 0.640 1.00 0.00 C ATOM 97 C ARG A 7 1.264 -7.302 1.870 1.00 0.00 C ATOM 98 O ARG A 7 1.913 -7.273 2.926 1.00 0.00 O ATOM 99 CB ARG A 7 2.780 -7.336 -0.135 1.00 0.00 C ATOM 100 CG ARG A 7 4.059 -7.612 0.647 1.00 0.00 C ATOM 101 CD ARG A 7 5.095 -8.339 -0.192 1.00 0.00 C ATOM 102 NE ARG A 7 5.544 -7.528 -1.329 1.00 0.00 N ATOM 103 CZ ARG A 7 6.791 -7.058 -1.501 1.00 0.00 C ATOM 104 NH1 ARG A 7 7.731 -7.266 -0.575 1.00 0.00 N ATOM 105 NH2 ARG A 7 7.087 -6.368 -2.590 1.00 0.00 N ATOM 0 H ARG A 7 3.022 -5.199 1.537 1.00 0.00 H new ATOM 0 HA ARG A 7 0.841 -6.422 -0.006 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.350 -8.287 -0.449 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.036 -6.787 -1.041 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.477 -6.670 1.002 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.823 -8.209 1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.951 -8.596 0.431 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.674 -9.276 -0.558 1.00 0.00 H new ATOM 0 HE ARG A 7 4.855 -7.303 -2.046 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.505 -7.786 0.273 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.674 -6.905 -0.716 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.370 -6.195 -3.295 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.032 -6.009 -2.725 1.00 0.00 H new ATOM 119 N ILE A 8 0.143 -7.929 1.742 1.00 0.00 N ATOM 120 CA ILE A 8 -0.366 -8.831 2.718 1.00 0.00 C ATOM 121 C ILE A 8 -0.457 -10.171 1.988 1.00 0.00 C ATOM 122 O ILE A 8 -1.491 -10.478 1.350 1.00 0.00 O ATOM 123 CB ILE A 8 -1.800 -8.434 3.267 1.00 0.00 C ATOM 124 CG1 ILE A 8 -1.857 -7.001 3.870 1.00 0.00 C ATOM 125 CG2 ILE A 8 -2.263 -9.433 4.312 1.00 0.00 C ATOM 126 CD1 ILE A 8 -1.866 -5.862 2.859 1.00 0.00 C ATOM 0 H ILE A 8 -0.463 -7.824 0.928 1.00 0.00 H new ATOM 0 HA ILE A 8 0.283 -8.839 3.593 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.465 -8.449 2.404 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.751 -6.922 4.488 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.000 -6.870 4.531 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.249 -9.146 4.678 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.317 -10.427 3.867 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.557 -9.445 5.142 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.907 -4.908 3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.960 -5.904 2.255 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.738 -5.957 2.212 1.00 0.00 H new ATOM 152 N PRO A 10 -0.514 -12.506 -0.874 1.00 0.00 N ATOM 153 CA PRO A 10 -0.815 -12.319 -2.295 1.00 0.00 C ATOM 154 C PRO A 10 -1.607 -11.036 -2.584 1.00 0.00 C ATOM 155 O PRO A 10 -1.818 -10.674 -3.740 1.00 0.00 O ATOM 156 CB PRO A 10 -1.674 -13.533 -2.619 1.00 0.00 C ATOM 157 CG PRO A 10 -2.391 -13.831 -1.348 1.00 0.00 C ATOM 158 CD PRO A 10 -1.456 -13.449 -0.233 1.00 0.00 C ATOM 0 HA PRO A 10 0.095 -12.226 -2.887 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.372 -13.321 -3.429 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -1.063 -14.378 -2.938 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -3.321 -13.266 -1.285 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.655 -14.887 -1.289 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.989 -12.982 0.595 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.939 -14.319 0.172 1.00 0.00 H new ATOM 166 N THR A 11 -2.025 -10.356 -1.556 1.00 0.00 N ATOM 167 CA THR A 11 -2.846 -9.195 -1.725 1.00 0.00 C ATOM 168 C THR A 11 -2.034 -7.941 -1.456 1.00 0.00 C ATOM 169 O THR A 11 -1.299 -7.878 -0.481 1.00 0.00 O ATOM 170 CB THR A 11 -4.035 -9.262 -0.755 1.00 0.00 C ATOM 171 OG1 THR A 11 -4.680 -10.544 -0.891 1.00 0.00 O ATOM 172 CG2 THR A 11 -5.043 -8.169 -1.058 1.00 0.00 C ATOM 0 H THR A 11 -1.809 -10.588 -0.587 1.00 0.00 H new ATOM 0 HA THR A 11 -3.216 -9.164 -2.750 1.00 0.00 H new ATOM 0 HB THR A 11 -3.664 -9.124 0.261 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.439 -10.595 -0.274 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.875 -8.238 -0.358 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.564 -7.195 -0.958 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.414 -8.288 -2.076 1.00 0.00 H new ATOM 180 N VAL A 12 -2.144 -6.970 -2.311 1.00 0.00 N ATOM 181 CA VAL A 12 -1.450 -5.733 -2.111 1.00 0.00 C ATOM 182 C VAL A 12 -2.444 -4.647 -1.785 1.00 0.00 C ATOM 183 O VAL A 12 -3.570 -4.661 -2.284 1.00 0.00 O ATOM 184 CB VAL A 12 -0.560 -5.317 -3.326 1.00 0.00 C ATOM 185 CG1 VAL A 12 0.554 -6.327 -3.540 1.00 0.00 C ATOM 186 CG2 VAL A 12 -1.382 -5.161 -4.602 1.00 0.00 C ATOM 0 H VAL A 12 -2.711 -7.010 -3.158 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.766 -5.879 -1.275 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.121 -4.347 -3.092 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.164 -6.021 -4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.176 -6.377 -2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.122 -7.308 -3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.727 -4.871 -5.424 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.866 -6.108 -4.841 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.141 -4.392 -4.454 1.00 0.00 H new ATOM 196 N ARG A 13 -2.066 -3.755 -0.920 1.00 0.00 N ATOM 197 CA ARG A 13 -2.908 -2.650 -0.560 1.00 0.00 C ATOM 198 C ARG A 13 -2.174 -1.372 -0.870 1.00 0.00 C ATOM 199 O ARG A 13 -1.138 -1.082 -0.267 1.00 0.00 O ATOM 200 CB ARG A 13 -3.288 -2.672 0.934 1.00 0.00 C ATOM 201 CG ARG A 13 -4.272 -1.566 1.319 1.00 0.00 C ATOM 202 CD ARG A 13 -4.529 -1.500 2.819 1.00 0.00 C ATOM 203 NE ARG A 13 -5.579 -0.509 3.147 1.00 0.00 N ATOM 204 CZ ARG A 13 -5.645 0.248 4.259 1.00 0.00 C ATOM 205 NH1 ARG A 13 -4.650 0.272 5.129 1.00 0.00 N ATOM 206 NH2 ARG A 13 -6.701 1.020 4.471 1.00 0.00 N ATOM 0 H ARG A 13 -1.165 -3.771 -0.442 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.833 -2.722 -1.133 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.726 -3.640 1.177 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.384 -2.571 1.534 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.884 -0.606 0.979 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.216 -1.730 0.800 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.829 -2.483 3.181 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.606 -1.238 3.336 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.326 -0.388 2.463 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.814 -0.289 4.964 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.718 0.852 5.966 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.462 1.040 3.793 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.752 1.594 5.313 1.00 0.00 H new ATOM 220 N CYS A 14 -2.652 -0.648 -1.824 1.00 0.00 N ATOM 221 CA CYS A 14 -2.065 0.611 -2.151 1.00 0.00 C ATOM 222 C CYS A 14 -2.701 1.708 -1.334 1.00 0.00 C ATOM 223 O CYS A 14 -3.871 2.069 -1.526 1.00 0.00 O ATOM 224 CB CYS A 14 -2.127 0.886 -3.652 1.00 0.00 C ATOM 225 SG CYS A 14 -1.196 -0.334 -4.650 1.00 0.00 S ATOM 0 H CYS A 14 -3.455 -0.908 -2.397 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.006 0.581 -1.894 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.169 0.887 -3.972 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.732 1.883 -3.848 1.00 0.00 H new ATOM 230 N THR A 15 -1.966 2.151 -0.364 1.00 0.00 N ATOM 231 CA THR A 15 -2.355 3.209 0.496 1.00 0.00 C ATOM 232 C THR A 15 -1.687 4.482 0.024 1.00 0.00 C ATOM 233 O THR A 15 -0.462 4.622 0.081 1.00 0.00 O ATOM 234 CB THR A 15 -1.917 2.889 1.927 1.00 0.00 C ATOM 235 OG1 THR A 15 -2.517 1.641 2.345 1.00 0.00 O ATOM 236 CG2 THR A 15 -2.294 4.002 2.896 1.00 0.00 C ATOM 0 H THR A 15 -1.046 1.768 -0.146 1.00 0.00 H new ATOM 0 HA THR A 15 -3.438 3.332 0.478 1.00 0.00 H new ATOM 0 HB THR A 15 -0.831 2.801 1.938 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.236 1.434 3.261 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.966 3.736 3.901 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.811 4.930 2.590 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.376 4.137 2.892 1.00 0.00 H new ATOM 244 N VAL A 16 -2.467 5.373 -0.471 1.00 0.00 N ATOM 245 CA VAL A 16 -1.949 6.603 -0.967 1.00 0.00 C ATOM 246 C VAL A 16 -1.947 7.646 0.135 1.00 0.00 C ATOM 247 O VAL A 16 -2.967 7.909 0.777 1.00 0.00 O ATOM 248 CB VAL A 16 -2.678 7.098 -2.256 1.00 0.00 C ATOM 249 CG1 VAL A 16 -4.164 7.330 -2.031 1.00 0.00 C ATOM 250 CG2 VAL A 16 -2.009 8.342 -2.825 1.00 0.00 C ATOM 0 H VAL A 16 -3.480 5.274 -0.545 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.919 6.428 -1.276 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.591 6.298 -2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.623 7.673 -2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.634 6.398 -1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.301 8.085 -1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.539 8.662 -3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.035 9.140 -2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.973 8.115 -3.078 1.00 0.00 H new ATOM 260 N ARG A 17 -0.797 8.166 0.397 1.00 0.00 N ATOM 261 CA ARG A 17 -0.601 9.161 1.393 1.00 0.00 C ATOM 262 C ARG A 17 -0.106 10.406 0.696 1.00 0.00 C ATOM 263 O ARG A 17 1.069 10.484 0.314 1.00 0.00 O ATOM 264 CB ARG A 17 0.402 8.675 2.443 1.00 0.00 C ATOM 265 CG ARG A 17 -0.045 7.407 3.162 1.00 0.00 C ATOM 266 CD ARG A 17 0.973 6.948 4.183 1.00 0.00 C ATOM 267 NE ARG A 17 1.204 7.939 5.243 1.00 0.00 N ATOM 268 CZ ARG A 17 2.203 7.863 6.138 1.00 0.00 C ATOM 269 NH1 ARG A 17 3.056 6.838 6.102 1.00 0.00 N ATOM 270 NH2 ARG A 17 2.347 8.801 7.063 1.00 0.00 N ATOM 0 H ARG A 17 0.059 7.902 -0.091 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.532 9.374 1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.362 8.492 1.961 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.560 9.465 3.178 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.999 7.588 3.657 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.209 6.615 2.432 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.634 6.014 4.632 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.916 6.736 3.679 1.00 0.00 H new ATOM 0 HE ARG A 17 0.567 8.733 5.303 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.950 6.111 5.394 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.814 6.781 6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.697 9.586 7.098 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.108 8.737 7.740 1.00 0.00 H new