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 0.768 12.492 -1.783 1.00 0.00 N ATOM 2 CA PRO A 1 1.052 12.206 -3.174 1.00 0.00 C ATOM 3 C PRO A 1 1.835 10.893 -3.369 1.00 0.00 C ATOM 4 O PRO A 1 2.237 10.562 -4.488 1.00 0.00 O ATOM 5 CB PRO A 1 1.910 13.395 -3.584 1.00 0.00 C ATOM 6 CG PRO A 1 2.664 13.770 -2.346 1.00 0.00 C ATOM 7 CD PRO A 1 1.818 13.335 -1.173 1.00 0.00 C ATOM 0 H2 PRO A 1 0.690 11.617 -1.265 1.00 0.00 H new ATOM 0 H3 PRO A 1 -0.133 12.964 -1.709 1.00 0.00 H new ATOM 0 HA PRO A 1 0.143 12.075 -3.760 1.00 0.00 H new ATOM 0 HB2 PRO A 1 2.588 13.132 -4.395 1.00 0.00 H new ATOM 0 HB3 PRO A 1 1.295 14.222 -3.938 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.638 13.281 -2.323 1.00 0.00 H new ATOM 0 HG3 PRO A 1 2.846 14.844 -2.314 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.404 12.777 -0.443 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.390 14.190 -0.651 1.00 0.00 H new ATOM 15 N VAL A 2 2.050 10.149 -2.301 1.00 0.00 N ATOM 16 CA VAL A 2 2.839 8.939 -2.395 1.00 0.00 C ATOM 17 C VAL A 2 1.953 7.705 -2.330 1.00 0.00 C ATOM 18 O VAL A 2 1.171 7.528 -1.382 1.00 0.00 O ATOM 19 CB VAL A 2 3.930 8.856 -1.288 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.812 7.626 -1.482 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.785 10.106 -1.279 1.00 0.00 C ATOM 0 H VAL A 2 1.693 10.359 -1.369 1.00 0.00 H new ATOM 0 HA VAL A 2 3.343 8.973 -3.361 1.00 0.00 H new ATOM 0 HB VAL A 2 3.421 8.772 -0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.566 7.591 -0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.198 6.727 -1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.303 7.680 -2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.540 10.025 -0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.275 10.219 -2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.156 10.975 -1.087 1.00 0.00 H new ATOM 31 N THR A 3 2.047 6.890 -3.344 1.00 0.00 N ATOM 32 CA THR A 3 1.352 5.640 -3.388 1.00 0.00 C ATOM 33 C THR A 3 2.203 4.585 -2.658 1.00 0.00 C ATOM 34 O THR A 3 3.343 4.329 -3.043 1.00 0.00 O ATOM 35 CB THR A 3 1.154 5.196 -4.858 1.00 0.00 C ATOM 36 OG1 THR A 3 0.607 6.279 -5.637 1.00 0.00 O ATOM 37 CG2 THR A 3 0.208 4.003 -4.939 1.00 0.00 C ATOM 0 H THR A 3 2.615 7.080 -4.170 1.00 0.00 H new ATOM 0 HA THR A 3 0.377 5.745 -2.912 1.00 0.00 H new ATOM 0 HB THR A 3 2.128 4.911 -5.256 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.488 5.987 -6.565 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.083 3.708 -5.981 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.624 3.170 -4.373 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.761 4.278 -4.521 1.00 0.00 H new ATOM 45 N TRP A 4 1.686 4.037 -1.600 1.00 0.00 N ATOM 46 CA TRP A 4 2.369 2.999 -0.866 1.00 0.00 C ATOM 47 C TRP A 4 1.743 1.665 -1.117 1.00 0.00 C ATOM 48 O TRP A 4 0.694 1.348 -0.566 1.00 0.00 O ATOM 49 CB TRP A 4 2.412 3.280 0.633 1.00 0.00 C ATOM 50 CG TRP A 4 3.399 4.320 1.012 1.00 0.00 C ATOM 51 CD1 TRP A 4 3.157 5.627 1.290 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.808 4.128 1.146 1.00 0.00 C ATOM 53 NE1 TRP A 4 4.333 6.262 1.610 1.00 0.00 N ATOM 54 CE2 TRP A 4 5.365 5.360 1.517 1.00 0.00 C ATOM 55 CE3 TRP A 4 5.654 3.024 0.987 1.00 0.00 C ATOM 56 CZ2 TRP A 4 6.727 5.522 1.733 1.00 0.00 C ATOM 57 CZ3 TRP A 4 7.006 3.187 1.200 1.00 0.00 C ATOM 58 CH2 TRP A 4 7.529 4.429 1.571 1.00 0.00 C ATOM 0 H TRP A 4 0.777 4.293 -1.215 1.00 0.00 H new ATOM 0 HA TRP A 4 3.396 2.986 -1.230 1.00 0.00 H new ATOM 0 HB2 TRP A 4 1.422 3.592 0.965 1.00 0.00 H new ATOM 0 HB3 TRP A 4 2.648 2.356 1.161 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.185 6.097 1.264 1.00 0.00 H new ATOM 0 HE1 TRP A 4 4.425 7.243 1.874 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.254 2.062 0.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 7.138 6.479 2.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.670 2.344 1.079 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.592 4.526 1.733 1.00 0.00 H new ATOM 69 N CYS A 5 2.348 0.908 -1.969 1.00 0.00 N ATOM 70 CA CYS A 5 1.874 -0.410 -2.252 1.00 0.00 C ATOM 71 C CYS A 5 2.526 -1.390 -1.310 1.00 0.00 C ATOM 72 O CYS A 5 3.689 -1.748 -1.460 1.00 0.00 O ATOM 73 CB CYS A 5 2.094 -0.776 -3.722 1.00 0.00 C ATOM 74 SG CYS A 5 1.175 0.298 -4.897 1.00 0.00 S ATOM 0 H CYS A 5 3.182 1.181 -2.489 1.00 0.00 H new ATOM 0 HA CYS A 5 0.797 -0.449 -2.089 1.00 0.00 H new ATOM 0 HB2 CYS A 5 3.159 -0.717 -3.946 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.792 -1.812 -3.878 1.00 0.00 H new ATOM 79 N VAL A 6 1.793 -1.753 -0.294 1.00 0.00 N ATOM 80 CA VAL A 6 2.265 -2.662 0.710 1.00 0.00 C ATOM 81 C VAL A 6 1.718 -4.052 0.430 1.00 0.00 C ATOM 82 O VAL A 6 0.624 -4.197 -0.118 1.00 0.00 O ATOM 83 CB VAL A 6 1.901 -2.185 2.154 1.00 0.00 C ATOM 84 CG1 VAL A 6 2.626 -0.888 2.484 1.00 0.00 C ATOM 85 CG2 VAL A 6 0.402 -1.985 2.313 1.00 0.00 C ATOM 0 H VAL A 6 0.841 -1.422 -0.139 1.00 0.00 H new ATOM 0 HA VAL A 6 3.354 -2.691 0.664 1.00 0.00 H new ATOM 0 HB VAL A 6 2.219 -2.965 2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.362 -0.570 3.492 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.703 -1.048 2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.334 -0.116 1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.185 -1.654 3.328 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.058 -1.232 1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.113 -2.926 2.121 1.00 0.00 H new ATOM 95 N ARG A 7 2.476 -5.050 0.755 1.00 0.00 N ATOM 96 CA ARG A 7 2.100 -6.413 0.461 1.00 0.00 C ATOM 97 C ARG A 7 1.582 -7.110 1.693 1.00 0.00 C ATOM 98 O ARG A 7 2.271 -7.175 2.705 1.00 0.00 O ATOM 99 CB ARG A 7 3.295 -7.178 -0.098 1.00 0.00 C ATOM 100 CG ARG A 7 3.804 -6.653 -1.429 1.00 0.00 C ATOM 101 CD ARG A 7 5.033 -7.414 -1.888 1.00 0.00 C ATOM 102 NE ARG A 7 4.777 -8.854 -2.032 1.00 0.00 N ATOM 103 CZ ARG A 7 5.716 -9.783 -2.249 1.00 0.00 C ATOM 104 NH1 ARG A 7 6.984 -9.426 -2.422 1.00 0.00 N ATOM 105 NH2 ARG A 7 5.383 -11.068 -2.311 1.00 0.00 N ATOM 0 H ARG A 7 3.373 -4.953 1.231 1.00 0.00 H new ATOM 0 HA ARG A 7 1.304 -6.390 -0.283 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.107 -7.142 0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.019 -8.226 -0.215 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.019 -6.739 -2.180 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.043 -5.594 -1.337 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.372 -7.010 -2.842 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.841 -7.261 -1.172 1.00 0.00 H new ATOM 0 HE ARG A 7 3.810 -9.170 -1.961 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.245 -8.441 -2.390 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.696 -10.137 -2.587 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.410 -11.349 -2.193 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.101 -11.773 -2.477 1.00 0.00 H new ATOM 119 N ILE A 8 0.370 -7.600 1.624 1.00 0.00 N ATOM 120 CA ILE A 8 -0.214 -8.364 2.706 1.00 0.00 C ATOM 121 C ILE A 8 -0.550 -9.742 2.157 1.00 0.00 C ATOM 122 O ILE A 8 -1.571 -9.899 1.474 1.00 0.00 O ATOM 123 CB ILE A 8 -1.526 -7.728 3.322 1.00 0.00 C ATOM 124 CG1 ILE A 8 -1.296 -6.320 3.900 1.00 0.00 C ATOM 125 CG2 ILE A 8 -2.107 -8.627 4.413 1.00 0.00 C ATOM 126 CD1 ILE A 8 -1.183 -5.210 2.881 1.00 0.00 C ATOM 0 H ILE A 8 -0.243 -7.482 0.817 1.00 0.00 H new ATOM 0 HA ILE A 8 0.514 -8.391 3.516 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.232 -7.639 2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.117 -6.086 4.578 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.384 -6.336 4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.008 -8.168 4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.355 -9.600 3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.373 -8.755 5.209 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.022 -4.261 3.393 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.343 -5.411 2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.102 -5.157 2.298 1.00 0.00 H new ATOM 152 N PRO A 10 -1.169 -12.509 -0.189 1.00 0.00 N ATOM 153 CA PRO A 10 -1.416 -12.534 -1.619 1.00 0.00 C ATOM 154 C PRO A 10 -1.988 -11.207 -2.168 1.00 0.00 C ATOM 155 O PRO A 10 -2.182 -11.065 -3.382 1.00 0.00 O ATOM 156 CB PRO A 10 -2.456 -13.644 -1.754 1.00 0.00 C ATOM 157 CG PRO A 10 -3.253 -13.572 -0.489 1.00 0.00 C ATOM 158 CD PRO A 10 -2.317 -13.055 0.579 1.00 0.00 C ATOM 0 HA PRO A 10 -0.497 -12.689 -2.184 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.087 -13.491 -2.629 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -1.982 -14.619 -1.869 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.110 -12.909 -0.608 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.644 -14.553 -0.220 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -2.792 -12.286 1.189 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -2.004 -13.850 1.255 1.00 0.00 H new ATOM 166 N THR A 11 -2.238 -10.246 -1.306 1.00 0.00 N ATOM 167 CA THR A 11 -2.883 -9.033 -1.734 1.00 0.00 C ATOM 168 C THR A 11 -1.973 -7.809 -1.565 1.00 0.00 C ATOM 169 O THR A 11 -1.439 -7.551 -0.479 1.00 0.00 O ATOM 170 CB THR A 11 -4.160 -8.819 -0.916 1.00 0.00 C ATOM 171 OG1 THR A 11 -4.859 -10.070 -0.806 1.00 0.00 O ATOM 172 CG2 THR A 11 -5.070 -7.804 -1.599 1.00 0.00 C ATOM 0 H THR A 11 -2.005 -10.283 -0.314 1.00 0.00 H new ATOM 0 HA THR A 11 -3.116 -9.139 -2.793 1.00 0.00 H new ATOM 0 HB THR A 11 -3.888 -8.444 0.071 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.677 -9.943 -0.282 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.972 -7.665 -1.003 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.547 -6.852 -1.693 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.342 -8.168 -2.590 1.00 0.00 H new ATOM 180 N VAL A 12 -1.801 -7.072 -2.629 1.00 0.00 N ATOM 181 CA VAL A 12 -1.063 -5.840 -2.589 1.00 0.00 C ATOM 182 C VAL A 12 -2.054 -4.714 -2.309 1.00 0.00 C ATOM 183 O VAL A 12 -3.113 -4.636 -2.941 1.00 0.00 O ATOM 184 CB VAL A 12 -0.312 -5.569 -3.927 1.00 0.00 C ATOM 185 CG1 VAL A 12 0.475 -4.263 -3.870 1.00 0.00 C ATOM 186 CG2 VAL A 12 0.617 -6.728 -4.269 1.00 0.00 C ATOM 0 H VAL A 12 -2.170 -7.310 -3.550 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.306 -5.900 -1.807 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.063 -5.477 -4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.987 -4.105 -4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.208 -3.434 -3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.209 -4.316 -3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.131 -6.518 -5.207 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.351 -6.853 -3.473 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.034 -7.643 -4.372 1.00 0.00 H new ATOM 196 N ARG A 13 -1.743 -3.892 -1.359 1.00 0.00 N ATOM 197 CA ARG A 13 -2.597 -2.803 -0.969 1.00 0.00 C ATOM 198 C ARG A 13 -1.890 -1.491 -1.247 1.00 0.00 C ATOM 199 O ARG A 13 -0.883 -1.190 -0.629 1.00 0.00 O ATOM 200 CB ARG A 13 -2.910 -2.920 0.527 1.00 0.00 C ATOM 201 CG ARG A 13 -3.923 -1.917 1.071 1.00 0.00 C ATOM 202 CD ARG A 13 -5.288 -2.088 0.420 1.00 0.00 C ATOM 203 NE ARG A 13 -5.762 -3.479 0.494 1.00 0.00 N ATOM 204 CZ ARG A 13 -7.027 -3.869 0.680 1.00 0.00 C ATOM 205 NH1 ARG A 13 -7.989 -2.986 0.938 1.00 0.00 N ATOM 206 NH2 ARG A 13 -7.312 -5.154 0.631 1.00 0.00 N ATOM 0 H ARG A 13 -0.878 -3.954 -0.821 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.527 -2.837 -1.536 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.280 -3.926 0.724 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.980 -2.808 1.084 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.016 -2.042 2.150 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.561 -0.904 0.898 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.008 -1.433 0.910 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.234 -1.778 -0.624 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.061 -4.213 0.394 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.767 -1.992 0.997 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.948 -3.303 1.077 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.573 -5.834 0.453 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.272 -5.469 0.771 1.00 0.00 H new ATOM 220 N CYS A 14 -2.373 -0.751 -2.195 1.00 0.00 N ATOM 221 CA CYS A 14 -1.798 0.532 -2.488 1.00 0.00 C ATOM 222 C CYS A 14 -2.533 1.633 -1.746 1.00 0.00 C ATOM 223 O CYS A 14 -3.606 2.080 -2.148 1.00 0.00 O ATOM 224 CB CYS A 14 -1.728 0.786 -3.993 1.00 0.00 C ATOM 225 SG CYS A 14 -0.722 -0.454 -4.900 1.00 0.00 S ATOM 0 H CYS A 14 -3.165 -1.010 -2.782 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.769 0.534 -2.130 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.739 0.790 -4.400 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.311 1.778 -4.167 1.00 0.00 H new ATOM 230 N THR A 15 -1.970 2.006 -0.638 1.00 0.00 N ATOM 231 CA THR A 15 -2.490 3.024 0.215 1.00 0.00 C ATOM 232 C THR A 15 -1.904 4.366 -0.225 1.00 0.00 C ATOM 233 O THR A 15 -0.715 4.459 -0.497 1.00 0.00 O ATOM 234 CB THR A 15 -2.058 2.717 1.664 1.00 0.00 C ATOM 235 OG1 THR A 15 -2.454 1.371 1.996 1.00 0.00 O ATOM 236 CG2 THR A 15 -2.694 3.682 2.646 1.00 0.00 C ATOM 0 H THR A 15 -1.104 1.593 -0.292 1.00 0.00 H new ATOM 0 HA THR A 15 -3.578 3.061 0.159 1.00 0.00 H new ATOM 0 HB THR A 15 -0.976 2.826 1.732 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.182 1.167 2.915 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.369 3.438 3.658 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.391 4.701 2.403 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.779 3.602 2.584 1.00 0.00 H new ATOM 244 N VAL A 16 -2.717 5.377 -0.336 1.00 0.00 N ATOM 245 CA VAL A 16 -2.218 6.661 -0.749 1.00 0.00 C ATOM 246 C VAL A 16 -1.974 7.568 0.445 1.00 0.00 C ATOM 247 O VAL A 16 -2.880 7.849 1.232 1.00 0.00 O ATOM 248 CB VAL A 16 -3.113 7.358 -1.824 1.00 0.00 C ATOM 249 CG1 VAL A 16 -3.072 6.580 -3.132 1.00 0.00 C ATOM 250 CG2 VAL A 16 -4.558 7.493 -1.350 1.00 0.00 C ATOM 0 H VAL A 16 -3.719 5.341 -0.149 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.261 6.472 -1.235 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.713 8.359 -1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.700 7.077 -3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.046 6.537 -3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.441 5.568 -2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.150 7.982 -2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.969 6.504 -1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.588 8.090 -0.438 1.00 0.00 H new ATOM 260 N ARG A 17 -0.749 7.967 0.614 1.00 0.00 N ATOM 261 CA ARG A 17 -0.377 8.882 1.668 1.00 0.00 C ATOM 262 C ARG A 17 0.069 10.154 1.022 1.00 0.00 C ATOM 263 O ARG A 17 1.184 10.219 0.490 1.00 0.00 O ATOM 264 CB ARG A 17 0.734 8.312 2.557 1.00 0.00 C ATOM 265 CG ARG A 17 0.339 7.059 3.314 1.00 0.00 C ATOM 266 CD ARG A 17 -0.851 7.320 4.218 1.00 0.00 C ATOM 267 NE ARG A 17 -1.285 6.131 4.940 1.00 0.00 N ATOM 268 CZ ARG A 17 -2.516 5.957 5.435 1.00 0.00 C ATOM 269 NH1 ARG A 17 -3.449 6.894 5.262 1.00 0.00 N ATOM 270 NH2 ARG A 17 -2.808 4.853 6.099 1.00 0.00 N ATOM 0 H ARG A 17 0.029 7.669 0.025 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.234 9.055 2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.603 8.090 1.937 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.039 9.075 3.273 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.096 6.265 2.608 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.182 6.709 3.909 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.593 8.100 4.934 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.680 7.698 3.620 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.606 5.382 5.077 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.226 7.748 4.751 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.386 6.757 5.641 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.096 4.135 6.234 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.746 4.718 6.477 1.00 0.00 H new