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= -0.137 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.583 12.669 -2.188 1.00 0.00 N ATOM 2 CA PRO A 1 1.117 12.354 -3.506 1.00 0.00 C ATOM 3 C PRO A 1 1.975 11.066 -3.521 1.00 0.00 C ATOM 4 O PRO A 1 2.577 10.716 -4.546 1.00 0.00 O ATOM 5 CB PRO A 1 1.992 13.570 -3.787 1.00 0.00 C ATOM 6 CG PRO A 1 2.539 13.954 -2.450 1.00 0.00 C ATOM 7 CD PRO A 1 1.507 13.541 -1.425 1.00 0.00 C ATOM 0 H2 PRO A 1 0.421 11.806 -1.669 1.00 0.00 H new ATOM 0 H3 PRO A 1 -0.321 13.132 -2.287 1.00 0.00 H new ATOM 0 HA PRO A 1 0.332 12.167 -4.239 1.00 0.00 H new ATOM 0 HB2 PRO A 1 2.791 13.331 -4.489 1.00 0.00 H new ATOM 0 HB3 PRO A 1 1.414 14.382 -4.227 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.491 13.456 -2.264 1.00 0.00 H new ATOM 0 HG3 PRO A 1 2.725 15.027 -2.401 1.00 0.00 H new ATOM 0 HD2 PRO A 1 1.963 13.008 -0.590 1.00 0.00 H new ATOM 0 HD3 PRO A 1 0.989 14.405 -1.008 1.00 0.00 H new ATOM 15 N VAL A 2 2.040 10.372 -2.403 1.00 0.00 N ATOM 16 CA VAL A 2 2.856 9.173 -2.300 1.00 0.00 C ATOM 17 C VAL A 2 1.966 7.928 -2.240 1.00 0.00 C ATOM 18 O VAL A 2 0.953 7.922 -1.559 1.00 0.00 O ATOM 19 CB VAL A 2 3.760 9.215 -1.034 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.723 8.047 -1.014 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.520 10.525 -0.942 1.00 0.00 C ATOM 0 H VAL A 2 1.537 10.616 -1.550 1.00 0.00 H new ATOM 0 HA VAL A 2 3.491 9.129 -3.185 1.00 0.00 H new ATOM 0 HB VAL A 2 3.107 9.139 -0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.342 8.101 -0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.162 7.113 -1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.359 8.085 -1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.142 10.523 -0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.152 10.642 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.813 11.353 -0.890 1.00 0.00 H new ATOM 31 N THR A 3 2.336 6.904 -2.958 1.00 0.00 N ATOM 32 CA THR A 3 1.607 5.665 -2.957 1.00 0.00 C ATOM 33 C THR A 3 2.482 4.568 -2.348 1.00 0.00 C ATOM 34 O THR A 3 3.599 4.325 -2.812 1.00 0.00 O ATOM 35 CB THR A 3 1.228 5.257 -4.395 1.00 0.00 C ATOM 36 OG1 THR A 3 0.580 6.360 -5.055 1.00 0.00 O ATOM 37 CG2 THR A 3 0.287 4.057 -4.389 1.00 0.00 C ATOM 0 H THR A 3 3.156 6.905 -3.564 1.00 0.00 H new ATOM 0 HA THR A 3 0.696 5.796 -2.372 1.00 0.00 H new ATOM 0 HB THR A 3 2.141 4.986 -4.926 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.341 6.100 -5.969 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.034 3.788 -5.415 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.777 3.213 -3.903 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.623 4.311 -3.845 1.00 0.00 H new ATOM 45 N TRP A 4 2.007 3.951 -1.296 1.00 0.00 N ATOM 46 CA TRP A 4 2.720 2.857 -0.683 1.00 0.00 C ATOM 47 C TRP A 4 1.963 1.577 -0.931 1.00 0.00 C ATOM 48 O TRP A 4 0.931 1.329 -0.294 1.00 0.00 O ATOM 49 CB TRP A 4 2.873 3.055 0.833 1.00 0.00 C ATOM 50 CG TRP A 4 3.552 4.322 1.238 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.957 5.519 1.456 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.947 4.517 1.493 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.890 6.447 1.827 1.00 0.00 N ATOM 54 CE2 TRP A 4 5.115 5.861 1.860 1.00 0.00 C ATOM 55 CE3 TRP A 4 6.063 3.692 1.447 1.00 0.00 C ATOM 56 CZ2 TRP A 4 6.356 6.397 2.180 1.00 0.00 C ATOM 57 CZ3 TRP A 4 7.298 4.223 1.765 1.00 0.00 C ATOM 58 CH2 TRP A 4 7.432 5.565 2.127 1.00 0.00 C ATOM 0 H TRP A 4 1.124 4.189 -0.843 1.00 0.00 H new ATOM 0 HA TRP A 4 3.716 2.815 -1.124 1.00 0.00 H new ATOM 0 HB2 TRP A 4 1.884 3.029 1.289 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.434 2.214 1.239 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.900 5.712 1.352 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.697 7.425 2.045 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.967 2.653 1.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.463 7.435 2.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 8.173 3.591 1.733 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.411 5.951 2.370 1.00 0.00 H new ATOM 69 N CYS A 5 2.406 0.810 -1.881 1.00 0.00 N ATOM 70 CA CYS A 5 1.794 -0.463 -2.146 1.00 0.00 C ATOM 71 C CYS A 5 2.485 -1.532 -1.340 1.00 0.00 C ATOM 72 O CYS A 5 3.620 -1.917 -1.626 1.00 0.00 O ATOM 73 CB CYS A 5 1.791 -0.801 -3.638 1.00 0.00 C ATOM 74 SG CYS A 5 0.865 0.390 -4.678 1.00 0.00 S ATOM 0 H CYS A 5 3.191 1.042 -2.489 1.00 0.00 H new ATOM 0 HA CYS A 5 0.748 -0.410 -1.843 1.00 0.00 H new ATOM 0 HB2 CYS A 5 2.821 -0.849 -3.990 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.362 -1.794 -3.773 1.00 0.00 H new ATOM 79 N VAL A 6 1.823 -1.961 -0.309 1.00 0.00 N ATOM 80 CA VAL A 6 2.330 -2.978 0.568 1.00 0.00 C ATOM 81 C VAL A 6 1.631 -4.279 0.246 1.00 0.00 C ATOM 82 O VAL A 6 0.508 -4.264 -0.273 1.00 0.00 O ATOM 83 CB VAL A 6 2.120 -2.607 2.068 1.00 0.00 C ATOM 84 CG1 VAL A 6 2.929 -1.368 2.432 1.00 0.00 C ATOM 85 CG2 VAL A 6 0.640 -2.380 2.385 1.00 0.00 C ATOM 0 H VAL A 6 0.901 -1.611 -0.047 1.00 0.00 H new ATOM 0 HA VAL A 6 3.404 -3.075 0.412 1.00 0.00 H new ATOM 0 HB VAL A 6 2.470 -3.447 2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.769 -1.125 3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.988 -1.562 2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.609 -0.530 1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.529 -2.123 3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.257 -1.565 1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.079 -3.290 2.172 1.00 0.00 H new ATOM 95 N ARG A 7 2.258 -5.381 0.515 1.00 0.00 N ATOM 96 CA ARG A 7 1.648 -6.637 0.205 1.00 0.00 C ATOM 97 C ARG A 7 1.420 -7.465 1.449 1.00 0.00 C ATOM 98 O ARG A 7 2.356 -7.759 2.226 1.00 0.00 O ATOM 99 CB ARG A 7 2.405 -7.403 -0.904 1.00 0.00 C ATOM 100 CG ARG A 7 3.847 -7.754 -0.588 1.00 0.00 C ATOM 101 CD ARG A 7 4.538 -8.368 -1.791 1.00 0.00 C ATOM 102 NE ARG A 7 5.911 -8.786 -1.477 1.00 0.00 N ATOM 103 CZ ARG A 7 6.996 -8.533 -2.233 1.00 0.00 C ATOM 104 NH1 ARG A 7 6.895 -7.783 -3.331 1.00 0.00 N ATOM 105 NH2 ARG A 7 8.181 -9.024 -1.876 1.00 0.00 N ATOM 0 H ARG A 7 3.182 -5.438 0.944 1.00 0.00 H new ATOM 0 HA ARG A 7 0.663 -6.424 -0.210 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.864 -8.324 -1.119 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.386 -6.803 -1.814 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.382 -6.857 -0.276 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.879 -8.452 0.249 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.966 -9.229 -2.138 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.556 -7.646 -2.608 1.00 0.00 H new ATOM 0 HE ARG A 7 6.054 -9.312 -0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.991 -7.397 -3.603 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.722 -7.596 -3.899 1.00 0.00 H new ATOM 0 HH21 ARG A 7 8.265 -9.590 -1.032 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.005 -8.834 -2.447 1.00 0.00 H new ATOM 119 N ILE A 8 0.177 -7.786 1.657 1.00 0.00 N ATOM 120 CA ILE A 8 -0.261 -8.593 2.754 1.00 0.00 C ATOM 121 C ILE A 8 -0.592 -9.958 2.170 1.00 0.00 C ATOM 122 O ILE A 8 -1.634 -10.125 1.509 1.00 0.00 O ATOM 123 CB ILE A 8 -1.525 -7.988 3.431 1.00 0.00 C ATOM 124 CG1 ILE A 8 -1.256 -6.530 3.855 1.00 0.00 C ATOM 125 CG2 ILE A 8 -1.923 -8.828 4.643 1.00 0.00 C ATOM 126 CD1 ILE A 8 -2.461 -5.819 4.447 1.00 0.00 C ATOM 0 H ILE A 8 -0.583 -7.483 1.048 1.00 0.00 H new ATOM 0 HA ILE A 8 0.513 -8.652 3.519 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.346 -7.996 2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.447 -6.520 4.586 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.908 -5.970 2.987 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.808 -8.397 5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.141 -9.847 4.324 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.104 -8.841 5.362 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.185 -4.800 4.718 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.266 -5.794 3.712 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.798 -6.352 5.336 1.00 0.00 H new ATOM 152 N PRO A 10 -0.843 -12.516 -0.527 1.00 0.00 N ATOM 153 CA PRO A 10 -0.933 -12.354 -1.964 1.00 0.00 C ATOM 154 C PRO A 10 -1.742 -11.113 -2.364 1.00 0.00 C ATOM 155 O PRO A 10 -1.984 -10.879 -3.550 1.00 0.00 O ATOM 156 CB PRO A 10 -1.672 -13.617 -2.383 1.00 0.00 C ATOM 157 CG PRO A 10 -2.587 -13.924 -1.236 1.00 0.00 C ATOM 158 CD PRO A 10 -1.991 -13.280 0.000 1.00 0.00 C ATOM 0 HA PRO A 10 0.042 -12.218 -2.432 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.232 -13.460 -3.305 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.979 -14.438 -2.567 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -3.587 -13.535 -1.428 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.684 -15.001 -1.099 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -2.710 -12.630 0.500 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.675 -14.027 0.729 1.00 0.00 H new ATOM 166 N THR A 11 -2.167 -10.333 -1.388 1.00 0.00 N ATOM 167 CA THR A 11 -2.972 -9.174 -1.652 1.00 0.00 C ATOM 168 C THR A 11 -2.140 -7.905 -1.509 1.00 0.00 C ATOM 169 O THR A 11 -1.565 -7.637 -0.453 1.00 0.00 O ATOM 170 CB THR A 11 -4.151 -9.107 -0.677 1.00 0.00 C ATOM 171 OG1 THR A 11 -4.845 -10.373 -0.677 1.00 0.00 O ATOM 172 CG2 THR A 11 -5.129 -8.004 -1.072 1.00 0.00 C ATOM 0 H THR A 11 -1.962 -10.490 -0.401 1.00 0.00 H new ATOM 0 HA THR A 11 -3.348 -9.251 -2.672 1.00 0.00 H new ATOM 0 HB THR A 11 -3.761 -8.887 0.317 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.599 -10.333 -0.052 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.956 -7.980 -0.362 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.616 -7.043 -1.064 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.515 -8.201 -2.072 1.00 0.00 H new ATOM 180 N VAL A 12 -2.065 -7.149 -2.558 1.00 0.00 N ATOM 181 CA VAL A 12 -1.360 -5.903 -2.527 1.00 0.00 C ATOM 182 C VAL A 12 -2.354 -4.783 -2.228 1.00 0.00 C ATOM 183 O VAL A 12 -3.479 -4.773 -2.749 1.00 0.00 O ATOM 184 CB VAL A 12 -0.556 -5.623 -3.848 1.00 0.00 C ATOM 185 CG1 VAL A 12 -1.465 -5.442 -5.064 1.00 0.00 C ATOM 186 CG2 VAL A 12 0.373 -4.429 -3.677 1.00 0.00 C ATOM 0 H VAL A 12 -2.488 -7.375 -3.458 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.611 -5.952 -1.737 1.00 0.00 H new ATOM 0 HB VAL A 12 0.050 -6.508 -4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.856 -5.251 -5.948 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.053 -6.347 -5.217 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.134 -4.598 -4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.918 -4.256 -4.605 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.214 -3.544 -3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.081 -4.631 -2.873 1.00 0.00 H new ATOM 196 N ARG A 13 -1.975 -3.896 -1.366 1.00 0.00 N ATOM 197 CA ARG A 13 -2.814 -2.805 -0.983 1.00 0.00 C ATOM 198 C ARG A 13 -2.028 -1.520 -1.105 1.00 0.00 C ATOM 199 O ARG A 13 -0.917 -1.405 -0.580 1.00 0.00 O ATOM 200 CB ARG A 13 -3.321 -3.013 0.444 1.00 0.00 C ATOM 201 CG ARG A 13 -4.276 -1.943 0.927 1.00 0.00 C ATOM 202 CD ARG A 13 -4.822 -2.277 2.301 1.00 0.00 C ATOM 203 NE ARG A 13 -5.586 -3.535 2.299 1.00 0.00 N ATOM 204 CZ ARG A 13 -5.998 -4.184 3.393 1.00 0.00 C ATOM 205 NH1 ARG A 13 -5.804 -3.651 4.596 1.00 0.00 N ATOM 206 NH2 ARG A 13 -6.652 -5.332 3.276 1.00 0.00 N ATOM 0 H ARG A 13 -1.066 -3.908 -0.903 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.683 -2.750 -1.638 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.818 -3.981 0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.466 -3.052 1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.763 -0.982 0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.100 -1.841 0.220 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.998 -2.354 3.010 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.462 -1.464 2.644 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.819 -3.943 1.394 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.341 -2.747 4.684 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.119 -4.147 5.430 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.841 -5.720 2.352 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.966 -5.827 4.110 1.00 0.00 H new ATOM 220 N CYS A 14 -2.578 -0.575 -1.797 1.00 0.00 N ATOM 221 CA CYS A 14 -1.897 0.657 -2.034 1.00 0.00 C ATOM 222 C CYS A 14 -2.458 1.768 -1.180 1.00 0.00 C ATOM 223 O CYS A 14 -3.533 2.300 -1.437 1.00 0.00 O ATOM 224 CB CYS A 14 -1.908 1.009 -3.523 1.00 0.00 C ATOM 225 SG CYS A 14 -1.069 -0.239 -4.571 1.00 0.00 S ATOM 0 H CYS A 14 -3.508 -0.634 -2.212 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.855 0.532 -1.740 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.940 1.117 -3.856 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.424 1.976 -3.664 1.00 0.00 H new ATOM 230 N THR A 15 -1.744 2.079 -0.138 1.00 0.00 N ATOM 231 CA THR A 15 -2.120 3.132 0.744 1.00 0.00 C ATOM 232 C THR A 15 -1.507 4.432 0.250 1.00 0.00 C ATOM 233 O THR A 15 -0.281 4.582 0.201 1.00 0.00 O ATOM 234 CB THR A 15 -1.673 2.820 2.192 1.00 0.00 C ATOM 235 OG1 THR A 15 -0.290 2.409 2.203 1.00 0.00 O ATOM 236 CG2 THR A 15 -2.532 1.717 2.798 1.00 0.00 C ATOM 0 H THR A 15 -0.880 1.603 0.121 1.00 0.00 H new ATOM 0 HA THR A 15 -3.206 3.229 0.754 1.00 0.00 H new ATOM 0 HB THR A 15 -1.792 3.725 2.787 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.014 2.215 3.123 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.199 1.515 3.816 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.575 2.035 2.813 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.437 0.811 2.199 1.00 0.00 H new ATOM 244 N VAL A 16 -2.346 5.316 -0.189 1.00 0.00 N ATOM 245 CA VAL A 16 -1.916 6.576 -0.721 1.00 0.00 C ATOM 246 C VAL A 16 -1.866 7.599 0.398 1.00 0.00 C ATOM 247 O VAL A 16 -2.810 7.729 1.177 1.00 0.00 O ATOM 248 CB VAL A 16 -2.870 7.061 -1.851 1.00 0.00 C ATOM 249 CG1 VAL A 16 -2.386 8.368 -2.468 1.00 0.00 C ATOM 250 CG2 VAL A 16 -3.016 5.994 -2.924 1.00 0.00 C ATOM 0 H VAL A 16 -3.358 5.185 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.923 6.455 -1.153 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.846 7.243 -1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.076 8.677 -3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.342 9.139 -1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.393 8.224 -2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.687 6.353 -3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.039 5.777 -3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.427 5.087 -2.481 1.00 0.00 H new ATOM 260 N ARG A 17 -0.757 8.261 0.509 1.00 0.00 N ATOM 261 CA ARG A 17 -0.566 9.296 1.483 1.00 0.00 C ATOM 262 C ARG A 17 -0.241 10.553 0.700 1.00 0.00 C ATOM 263 O ARG A 17 0.892 10.706 0.229 1.00 0.00 O ATOM 264 CB ARG A 17 0.603 8.963 2.429 1.00 0.00 C ATOM 265 CG ARG A 17 0.566 7.568 3.054 1.00 0.00 C ATOM 266 CD ARG A 17 -0.689 7.310 3.863 1.00 0.00 C ATOM 267 NE ARG A 17 -0.655 5.971 4.482 1.00 0.00 N ATOM 268 CZ ARG A 17 -1.709 5.325 5.002 1.00 0.00 C ATOM 269 NH1 ARG A 17 -2.922 5.864 4.951 1.00 0.00 N ATOM 270 NH2 ARG A 17 -1.538 4.135 5.572 1.00 0.00 N ATOM 0 H ARG A 17 0.057 8.096 -0.084 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.457 9.412 2.100 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.537 9.070 1.877 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.620 9.701 3.231 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.641 6.821 2.264 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.437 7.441 3.697 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.789 8.070 4.638 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.564 7.394 3.219 1.00 0.00 H new ATOM 0 HE ARG A 17 0.247 5.496 4.517 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.057 6.776 4.514 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.718 5.366 5.349 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.608 3.718 5.612 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.337 3.640 5.969 1.00 0.00 H new