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 0.921 12.748 -1.564 1.00 0.00 N ATOM 2 CA PRO A 1 1.254 12.569 -2.957 1.00 0.00 C ATOM 3 C PRO A 1 1.991 11.245 -3.227 1.00 0.00 C ATOM 4 O PRO A 1 2.451 11.002 -4.350 1.00 0.00 O ATOM 5 CB PRO A 1 2.181 13.748 -3.206 1.00 0.00 C ATOM 6 CG PRO A 1 2.924 13.921 -1.914 1.00 0.00 C ATOM 7 CD PRO A 1 2.017 13.410 -0.820 1.00 0.00 C ATOM 0 H2 PRO A 1 0.722 11.841 -1.142 1.00 0.00 H new ATOM 0 H3 PRO A 1 0.071 13.306 -1.486 1.00 0.00 H new ATOM 0 HA PRO A 1 0.374 12.529 -3.599 1.00 0.00 H new ATOM 0 HB2 PRO A 1 2.863 13.549 -4.033 1.00 0.00 H new ATOM 0 HB3 PRO A 1 1.620 14.646 -3.465 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.862 13.366 -1.930 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.176 14.969 -1.750 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.535 12.712 -0.162 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.645 14.222 -0.195 1.00 0.00 H new ATOM 15 N VAL A 2 2.118 10.400 -2.213 1.00 0.00 N ATOM 16 CA VAL A 2 2.875 9.164 -2.351 1.00 0.00 C ATOM 17 C VAL A 2 1.962 7.950 -2.171 1.00 0.00 C ATOM 18 O VAL A 2 1.219 7.868 -1.203 1.00 0.00 O ATOM 19 CB VAL A 2 4.036 9.086 -1.308 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.904 7.857 -1.544 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.890 10.343 -1.334 1.00 0.00 C ATOM 0 H VAL A 2 1.709 10.547 -1.290 1.00 0.00 H new ATOM 0 HA VAL A 2 3.301 9.158 -3.354 1.00 0.00 H new ATOM 0 HB VAL A 2 3.579 9.004 -0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.704 7.829 -0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.294 6.958 -1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.336 7.903 -2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.688 10.256 -0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.324 10.467 -2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.271 11.208 -1.098 1.00 0.00 H new ATOM 31 N THR A 3 2.012 7.033 -3.100 1.00 0.00 N ATOM 32 CA THR A 3 1.235 5.824 -3.010 1.00 0.00 C ATOM 33 C THR A 3 2.139 4.654 -2.616 1.00 0.00 C ATOM 34 O THR A 3 3.107 4.329 -3.319 1.00 0.00 O ATOM 35 CB THR A 3 0.511 5.518 -4.340 1.00 0.00 C ATOM 36 OG1 THR A 3 -0.356 6.617 -4.677 1.00 0.00 O ATOM 37 CG2 THR A 3 -0.315 4.242 -4.234 1.00 0.00 C ATOM 0 H THR A 3 2.590 7.102 -3.938 1.00 0.00 H new ATOM 0 HA THR A 3 0.473 5.966 -2.243 1.00 0.00 H new ATOM 0 HB THR A 3 1.264 5.380 -5.116 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.815 6.425 -5.521 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.813 4.051 -5.184 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.339 3.404 -3.993 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.062 4.357 -3.449 1.00 0.00 H new ATOM 45 N TRP A 4 1.838 4.051 -1.504 1.00 0.00 N ATOM 46 CA TRP A 4 2.584 2.931 -1.002 1.00 0.00 C ATOM 47 C TRP A 4 1.837 1.659 -1.299 1.00 0.00 C ATOM 48 O TRP A 4 0.662 1.537 -0.971 1.00 0.00 O ATOM 49 CB TRP A 4 2.816 3.061 0.507 1.00 0.00 C ATOM 50 CG TRP A 4 3.659 4.237 0.878 1.00 0.00 C ATOM 51 CD1 TRP A 4 3.231 5.487 1.219 1.00 0.00 C ATOM 52 CD2 TRP A 4 5.085 4.273 0.934 1.00 0.00 C ATOM 53 NE1 TRP A 4 4.310 6.296 1.475 1.00 0.00 N ATOM 54 CE2 TRP A 4 5.456 5.574 1.304 1.00 0.00 C ATOM 55 CE3 TRP A 4 6.084 3.328 0.702 1.00 0.00 C ATOM 56 CZ2 TRP A 4 6.782 5.953 1.447 1.00 0.00 C ATOM 57 CZ3 TRP A 4 7.398 3.708 0.847 1.00 0.00 C ATOM 58 CH2 TRP A 4 7.734 5.011 1.216 1.00 0.00 C ATOM 0 H TRP A 4 1.056 4.326 -0.910 1.00 0.00 H new ATOM 0 HA TRP A 4 3.556 2.909 -1.495 1.00 0.00 H new ATOM 0 HB2 TRP A 4 1.852 3.141 1.010 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.292 2.152 0.874 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.197 5.794 1.279 1.00 0.00 H new ATOM 0 HE1 TRP A 4 4.263 7.277 1.749 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.831 2.318 0.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 7.049 6.960 1.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 8.182 2.986 0.672 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.775 5.277 1.321 1.00 0.00 H new ATOM 69 N CYS A 5 2.488 0.739 -1.933 1.00 0.00 N ATOM 70 CA CYS A 5 1.893 -0.532 -2.235 1.00 0.00 C ATOM 71 C CYS A 5 2.545 -1.594 -1.404 1.00 0.00 C ATOM 72 O CYS A 5 3.745 -1.833 -1.512 1.00 0.00 O ATOM 73 CB CYS A 5 1.985 -0.852 -3.723 1.00 0.00 C ATOM 74 SG CYS A 5 1.009 0.272 -4.781 1.00 0.00 S ATOM 0 H CYS A 5 3.449 0.843 -2.259 1.00 0.00 H new ATOM 0 HA CYS A 5 0.832 -0.493 -1.989 1.00 0.00 H new ATOM 0 HB2 CYS A 5 3.030 -0.809 -4.030 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.646 -1.875 -3.887 1.00 0.00 H new ATOM 79 N VAL A 6 1.771 -2.196 -0.549 1.00 0.00 N ATOM 80 CA VAL A 6 2.254 -3.199 0.358 1.00 0.00 C ATOM 81 C VAL A 6 1.569 -4.510 0.031 1.00 0.00 C ATOM 82 O VAL A 6 0.349 -4.544 -0.198 1.00 0.00 O ATOM 83 CB VAL A 6 1.940 -2.816 1.840 1.00 0.00 C ATOM 84 CG1 VAL A 6 2.546 -3.816 2.815 1.00 0.00 C ATOM 85 CG2 VAL A 6 2.421 -1.406 2.158 1.00 0.00 C ATOM 0 H VAL A 6 0.773 -2.003 -0.460 1.00 0.00 H new ATOM 0 HA VAL A 6 3.335 -3.284 0.248 1.00 0.00 H new ATOM 0 HB VAL A 6 0.857 -2.844 1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.308 -3.519 3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.136 -4.807 2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.628 -3.839 2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.189 -1.168 3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.498 -1.346 2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.921 -0.694 1.502 1.00 0.00 H new ATOM 95 N ARG A 7 2.322 -5.568 -0.028 1.00 0.00 N ATOM 96 CA ARG A 7 1.756 -6.856 -0.264 1.00 0.00 C ATOM 97 C ARG A 7 1.483 -7.496 1.082 1.00 0.00 C ATOM 98 O ARG A 7 2.399 -7.974 1.756 1.00 0.00 O ATOM 99 CB ARG A 7 2.697 -7.735 -1.094 1.00 0.00 C ATOM 100 CG ARG A 7 2.088 -9.056 -1.541 1.00 0.00 C ATOM 101 CD ARG A 7 3.133 -9.971 -2.168 1.00 0.00 C ATOM 102 NE ARG A 7 3.842 -9.347 -3.295 1.00 0.00 N ATOM 103 CZ ARG A 7 4.864 -9.909 -3.965 1.00 0.00 C ATOM 104 NH1 ARG A 7 5.306 -11.113 -3.636 1.00 0.00 N ATOM 105 NH2 ARG A 7 5.441 -9.253 -4.958 1.00 0.00 N ATOM 0 H ARG A 7 3.336 -5.560 0.085 1.00 0.00 H new ATOM 0 HA ARG A 7 0.832 -6.752 -0.833 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.013 -7.177 -1.976 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.593 -7.941 -0.509 1.00 0.00 H new ATOM 0 HG2 ARG A 7 1.632 -9.555 -0.686 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.292 -8.865 -2.260 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.857 -10.262 -1.407 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.648 -10.885 -2.512 1.00 0.00 H new ATOM 0 HE ARG A 7 3.536 -8.420 -3.590 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.871 -11.624 -2.868 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.082 -11.530 -4.151 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.111 -8.323 -5.214 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.216 -9.677 -5.467 1.00 0.00 H new ATOM 119 N ILE A 8 0.262 -7.429 1.505 1.00 0.00 N ATOM 120 CA ILE A 8 -0.143 -8.017 2.749 1.00 0.00 C ATOM 121 C ILE A 8 -0.620 -9.419 2.426 1.00 0.00 C ATOM 122 O ILE A 8 -1.648 -9.592 1.737 1.00 0.00 O ATOM 123 CB ILE A 8 -1.264 -7.190 3.442 1.00 0.00 C ATOM 124 CG1 ILE A 8 -0.785 -5.738 3.647 1.00 0.00 C ATOM 125 CG2 ILE A 8 -1.640 -7.821 4.787 1.00 0.00 C ATOM 126 CD1 ILE A 8 -1.807 -4.817 4.286 1.00 0.00 C ATOM 0 H ILE A 8 -0.490 -6.963 0.997 1.00 0.00 H new ATOM 0 HA ILE A 8 0.690 -8.035 3.452 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.149 -7.188 2.805 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.111 -5.750 4.267 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.498 -5.325 2.680 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.425 -7.231 5.259 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.998 -8.838 4.625 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.764 -7.844 5.435 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.382 -3.819 4.390 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.697 -4.769 3.658 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.078 -5.201 5.270 1.00 0.00 H new ATOM 152 N PRO A 10 -0.829 -12.348 0.171 1.00 0.00 N ATOM 153 CA PRO A 10 -0.722 -12.363 -1.274 1.00 0.00 C ATOM 154 C PRO A 10 -1.431 -11.151 -1.913 1.00 0.00 C ATOM 155 O PRO A 10 -1.437 -10.992 -3.135 1.00 0.00 O ATOM 156 CB PRO A 10 -1.468 -13.642 -1.625 1.00 0.00 C ATOM 157 CG PRO A 10 -2.540 -13.766 -0.578 1.00 0.00 C ATOM 158 CD PRO A 10 -2.090 -12.969 0.627 1.00 0.00 C ATOM 0 HA PRO A 10 0.308 -12.318 -1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -1.898 -13.587 -2.625 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.801 -14.504 -1.612 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -3.490 -13.388 -0.955 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.696 -14.811 -0.310 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -2.828 -12.219 0.912 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.933 -13.608 1.496 1.00 0.00 H new ATOM 166 N THR A 11 -1.990 -10.297 -1.085 1.00 0.00 N ATOM 167 CA THR A 11 -2.803 -9.217 -1.548 1.00 0.00 C ATOM 168 C THR A 11 -2.017 -7.910 -1.619 1.00 0.00 C ATOM 169 O THR A 11 -1.495 -7.425 -0.618 1.00 0.00 O ATOM 170 CB THR A 11 -3.978 -9.047 -0.601 1.00 0.00 C ATOM 171 OG1 THR A 11 -4.562 -10.342 -0.361 1.00 0.00 O ATOM 172 CG2 THR A 11 -5.028 -8.124 -1.193 1.00 0.00 C ATOM 0 H THR A 11 -1.888 -10.340 -0.071 1.00 0.00 H new ATOM 0 HA THR A 11 -3.149 -9.454 -2.554 1.00 0.00 H new ATOM 0 HB THR A 11 -3.623 -8.604 0.330 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.322 -10.250 0.251 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.858 -8.021 -0.494 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.587 -7.145 -1.381 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.394 -8.543 -2.130 1.00 0.00 H new ATOM 180 N VAL A 12 -1.939 -7.362 -2.788 1.00 0.00 N ATOM 181 CA VAL A 12 -1.265 -6.107 -3.007 1.00 0.00 C ATOM 182 C VAL A 12 -2.240 -4.972 -2.757 1.00 0.00 C ATOM 183 O VAL A 12 -3.214 -4.795 -3.505 1.00 0.00 O ATOM 184 CB VAL A 12 -0.707 -5.997 -4.449 1.00 0.00 C ATOM 185 CG1 VAL A 12 0.055 -4.689 -4.645 1.00 0.00 C ATOM 186 CG2 VAL A 12 0.179 -7.183 -4.768 1.00 0.00 C ATOM 0 H VAL A 12 -2.343 -7.770 -3.631 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.422 -6.049 -2.318 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.551 -6.000 -5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.435 -4.639 -5.665 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.614 -3.848 -4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.889 -4.645 -3.945 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.562 -7.088 -5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.014 -7.213 -4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.399 -8.103 -4.682 1.00 0.00 H new ATOM 196 N ARG A 13 -2.015 -4.249 -1.707 1.00 0.00 N ATOM 197 CA ARG A 13 -2.852 -3.132 -1.356 1.00 0.00 C ATOM 198 C ARG A 13 -2.062 -1.857 -1.447 1.00 0.00 C ATOM 199 O ARG A 13 -0.928 -1.787 -0.964 1.00 0.00 O ATOM 200 CB ARG A 13 -3.433 -3.289 0.042 1.00 0.00 C ATOM 201 CG ARG A 13 -4.480 -4.380 0.172 1.00 0.00 C ATOM 202 CD ARG A 13 -4.999 -4.451 1.591 1.00 0.00 C ATOM 203 NE ARG A 13 -5.498 -3.148 2.052 1.00 0.00 N ATOM 204 CZ ARG A 13 -5.536 -2.735 3.324 1.00 0.00 C ATOM 205 NH1 ARG A 13 -5.204 -3.570 4.312 1.00 0.00 N ATOM 206 NH2 ARG A 13 -5.927 -1.492 3.597 1.00 0.00 N ATOM 0 H ARG A 13 -1.243 -4.413 -1.061 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.684 -3.097 -2.060 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.620 -3.499 0.738 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.876 -2.340 0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.305 -4.184 -0.514 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.050 -5.340 -0.113 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.799 -5.189 1.650 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.203 -4.791 2.253 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.845 -2.503 1.342 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.920 -4.526 4.098 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.234 -3.252 5.281 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.194 -0.864 2.839 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.959 -1.168 4.564 1.00 0.00 H new ATOM 220 N CYS A 14 -2.634 -0.867 -2.052 1.00 0.00 N ATOM 221 CA CYS A 14 -1.964 0.387 -2.214 1.00 0.00 C ATOM 222 C CYS A 14 -2.698 1.469 -1.464 1.00 0.00 C ATOM 223 O CYS A 14 -3.898 1.669 -1.646 1.00 0.00 O ATOM 224 CB CYS A 14 -1.810 0.744 -3.691 1.00 0.00 C ATOM 225 SG CYS A 14 -0.875 -0.490 -4.662 1.00 0.00 S ATOM 0 H CYS A 14 -3.574 -0.902 -2.447 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.961 0.299 -1.796 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.800 0.862 -4.131 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.309 1.709 -3.770 1.00 0.00 H new ATOM 230 N THR A 15 -1.991 2.138 -0.620 1.00 0.00 N ATOM 231 CA THR A 15 -2.529 3.181 0.172 1.00 0.00 C ATOM 232 C THR A 15 -1.862 4.501 -0.227 1.00 0.00 C ATOM 233 O THR A 15 -0.634 4.569 -0.401 1.00 0.00 O ATOM 234 CB THR A 15 -2.362 2.855 1.697 1.00 0.00 C ATOM 235 OG1 THR A 15 -2.829 3.931 2.524 1.00 0.00 O ATOM 236 CG2 THR A 15 -0.917 2.515 2.043 1.00 0.00 C ATOM 0 H THR A 15 -0.998 1.968 -0.460 1.00 0.00 H new ATOM 0 HA THR A 15 -3.600 3.277 -0.005 1.00 0.00 H new ATOM 0 HB THR A 15 -2.978 1.979 1.899 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.712 3.693 3.467 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.840 2.295 3.108 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.601 1.644 1.469 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.276 3.362 1.800 1.00 0.00 H new ATOM 244 N VAL A 16 -2.658 5.513 -0.436 1.00 0.00 N ATOM 245 CA VAL A 16 -2.151 6.788 -0.843 1.00 0.00 C ATOM 246 C VAL A 16 -1.982 7.712 0.357 1.00 0.00 C ATOM 247 O VAL A 16 -2.929 8.004 1.102 1.00 0.00 O ATOM 248 CB VAL A 16 -3.007 7.442 -1.978 1.00 0.00 C ATOM 249 CG1 VAL A 16 -4.458 7.644 -1.568 1.00 0.00 C ATOM 250 CG2 VAL A 16 -2.385 8.750 -2.460 1.00 0.00 C ATOM 0 H VAL A 16 -3.672 5.475 -0.329 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.164 6.621 -1.276 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.008 6.740 -2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.008 8.101 -2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.905 6.680 -1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.502 8.296 -0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.004 9.179 -3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.321 9.451 -1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.385 8.556 -2.849 1.00 0.00 H new ATOM 260 N ARG A 17 -0.777 8.117 0.569 1.00 0.00 N ATOM 261 CA ARG A 17 -0.440 8.996 1.635 1.00 0.00 C ATOM 262 C ARG A 17 0.057 10.297 1.065 1.00 0.00 C ATOM 263 O ARG A 17 1.213 10.398 0.620 1.00 0.00 O ATOM 264 CB ARG A 17 0.588 8.363 2.568 1.00 0.00 C ATOM 265 CG ARG A 17 0.043 7.182 3.356 1.00 0.00 C ATOM 266 CD ARG A 17 -1.163 7.606 4.184 1.00 0.00 C ATOM 267 NE ARG A 17 -0.839 8.753 5.042 1.00 0.00 N ATOM 268 CZ ARG A 17 -1.624 9.812 5.249 1.00 0.00 C ATOM 269 NH1 ARG A 17 -2.857 9.835 4.769 1.00 0.00 N ATOM 270 NH2 ARG A 17 -1.178 10.833 5.963 1.00 0.00 N ATOM 0 H ARG A 17 0.018 7.840 -0.006 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.329 9.191 2.234 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.446 8.034 1.981 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.949 9.119 3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.240 6.381 2.673 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.819 6.784 4.010 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.989 7.865 3.522 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.497 6.771 4.799 1.00 0.00 H new ATOM 0 HE ARG A 17 0.062 8.739 5.520 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.212 9.040 4.237 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.452 10.647 4.931 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.236 10.809 6.354 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.776 11.644 6.123 1.00 0.00 H new