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 0.593 12.814 -2.685 1.00 0.00 N ATOM 2 CA PRO A 1 1.194 12.461 -3.964 1.00 0.00 C ATOM 3 C PRO A 1 2.093 11.212 -3.868 1.00 0.00 C ATOM 4 O PRO A 1 2.708 10.797 -4.849 1.00 0.00 O ATOM 5 CB PRO A 1 2.031 13.692 -4.284 1.00 0.00 C ATOM 6 CG PRO A 1 2.474 14.199 -2.951 1.00 0.00 C ATOM 7 CD PRO A 1 1.377 13.854 -1.976 1.00 0.00 C ATOM 0 H2 PRO A 1 0.525 11.981 -2.100 1.00 0.00 H new ATOM 0 H3 PRO A 1 -0.358 13.150 -2.837 1.00 0.00 H new ATOM 0 HA PRO A 1 0.449 12.212 -4.720 1.00 0.00 H new ATOM 0 HB2 PRO A 1 2.883 13.440 -4.916 1.00 0.00 H new ATOM 0 HB3 PRO A 1 1.447 14.441 -4.820 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.416 13.738 -2.654 1.00 0.00 H new ATOM 0 HG3 PRO A 1 2.642 15.276 -2.981 1.00 0.00 H new ATOM 0 HD2 PRO A 1 1.780 13.480 -1.035 1.00 0.00 H new ATOM 0 HD3 PRO A 1 0.765 14.724 -1.737 1.00 0.00 H new ATOM 15 N VAL A 2 2.170 10.630 -2.695 1.00 0.00 N ATOM 16 CA VAL A 2 3.002 9.470 -2.475 1.00 0.00 C ATOM 17 C VAL A 2 2.102 8.252 -2.263 1.00 0.00 C ATOM 18 O VAL A 2 1.033 8.365 -1.678 1.00 0.00 O ATOM 19 CB VAL A 2 3.942 9.681 -1.242 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.862 8.491 -1.037 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.765 10.954 -1.405 1.00 0.00 C ATOM 0 H VAL A 2 1.661 10.945 -1.869 1.00 0.00 H new ATOM 0 HA VAL A 2 3.637 9.311 -3.347 1.00 0.00 H new ATOM 0 HB VAL A 2 3.309 9.778 -0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.501 8.670 -0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.265 7.595 -0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.481 8.352 -1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.412 11.083 -0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.375 10.880 -2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.097 11.811 -1.489 1.00 0.00 H new ATOM 31 N THR A 3 2.478 7.125 -2.788 1.00 0.00 N ATOM 32 CA THR A 3 1.690 5.931 -2.634 1.00 0.00 C ATOM 33 C THR A 3 2.564 4.761 -2.156 1.00 0.00 C ATOM 34 O THR A 3 3.628 4.486 -2.723 1.00 0.00 O ATOM 35 CB THR A 3 0.990 5.589 -3.967 1.00 0.00 C ATOM 36 OG1 THR A 3 0.239 6.749 -4.403 1.00 0.00 O ATOM 37 CG2 THR A 3 0.038 4.407 -3.800 1.00 0.00 C ATOM 0 H THR A 3 3.332 7.003 -3.332 1.00 0.00 H new ATOM 0 HA THR A 3 0.927 6.107 -1.876 1.00 0.00 H new ATOM 0 HB THR A 3 1.745 5.317 -4.704 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.211 6.548 -5.250 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.441 4.188 -4.754 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.598 3.533 -3.466 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.723 4.655 -3.060 1.00 0.00 H new ATOM 45 N TRP A 4 2.127 4.108 -1.104 1.00 0.00 N ATOM 46 CA TRP A 4 2.843 2.979 -0.546 1.00 0.00 C ATOM 47 C TRP A 4 1.995 1.747 -0.688 1.00 0.00 C ATOM 48 O TRP A 4 0.781 1.818 -0.554 1.00 0.00 O ATOM 49 CB TRP A 4 3.168 3.210 0.929 1.00 0.00 C ATOM 50 CG TRP A 4 4.060 4.382 1.172 1.00 0.00 C ATOM 51 CD1 TRP A 4 3.684 5.632 1.572 1.00 0.00 C ATOM 52 CD2 TRP A 4 5.484 4.419 1.020 1.00 0.00 C ATOM 53 NE1 TRP A 4 4.792 6.434 1.697 1.00 0.00 N ATOM 54 CE2 TRP A 4 5.906 5.717 1.355 1.00 0.00 C ATOM 55 CE3 TRP A 4 6.441 3.477 0.636 1.00 0.00 C ATOM 56 CZ2 TRP A 4 7.242 6.097 1.318 1.00 0.00 C ATOM 57 CZ3 TRP A 4 7.766 3.857 0.599 1.00 0.00 C ATOM 58 CH2 TRP A 4 8.154 5.156 0.939 1.00 0.00 C ATOM 0 H TRP A 4 1.266 4.342 -0.610 1.00 0.00 H new ATOM 0 HA TRP A 4 3.782 2.856 -1.085 1.00 0.00 H new ATOM 0 HB2 TRP A 4 2.238 3.353 1.479 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.642 2.315 1.332 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.667 5.944 1.762 1.00 0.00 H new ATOM 0 HE1 TRP A 4 4.785 7.409 1.997 1.00 0.00 H new ATOM 0 HE3 TRP A 4 6.149 2.471 0.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 7.547 7.100 1.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 8.516 3.139 0.302 1.00 0.00 H new ATOM 0 HH2 TRP A 4 9.200 5.421 0.901 1.00 0.00 H new ATOM 69 N CYS A 5 2.604 0.638 -0.960 1.00 0.00 N ATOM 70 CA CYS A 5 1.876 -0.583 -1.131 1.00 0.00 C ATOM 71 C CYS A 5 2.349 -1.625 -0.137 1.00 0.00 C ATOM 72 O CYS A 5 3.544 -1.907 -0.029 1.00 0.00 O ATOM 73 CB CYS A 5 1.979 -1.091 -2.574 1.00 0.00 C ATOM 74 SG CYS A 5 1.338 0.086 -3.838 1.00 0.00 S ATOM 0 H CYS A 5 3.614 0.550 -1.070 1.00 0.00 H new ATOM 0 HA CYS A 5 0.822 -0.386 -0.934 1.00 0.00 H new ATOM 0 HB2 CYS A 5 3.023 -1.311 -2.796 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.431 -2.029 -2.657 1.00 0.00 H new ATOM 79 N VAL A 6 1.416 -2.165 0.597 1.00 0.00 N ATOM 80 CA VAL A 6 1.690 -3.169 1.590 1.00 0.00 C ATOM 81 C VAL A 6 1.374 -4.524 0.992 1.00 0.00 C ATOM 82 O VAL A 6 0.262 -4.746 0.482 1.00 0.00 O ATOM 83 CB VAL A 6 0.823 -2.954 2.865 1.00 0.00 C ATOM 84 CG1 VAL A 6 1.151 -3.988 3.934 1.00 0.00 C ATOM 85 CG2 VAL A 6 1.000 -1.542 3.410 1.00 0.00 C ATOM 0 H VAL A 6 0.429 -1.917 0.522 1.00 0.00 H new ATOM 0 HA VAL A 6 2.738 -3.105 1.882 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.222 -3.083 2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.530 -3.813 4.812 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.956 -4.988 3.545 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.202 -3.905 4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.384 -1.416 4.301 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.047 -1.380 3.667 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.696 -0.819 2.653 1.00 0.00 H new ATOM 95 N ARG A 7 2.336 -5.399 1.019 1.00 0.00 N ATOM 96 CA ARG A 7 2.200 -6.711 0.450 1.00 0.00 C ATOM 97 C ARG A 7 1.924 -7.735 1.535 1.00 0.00 C ATOM 98 O ARG A 7 2.736 -7.927 2.462 1.00 0.00 O ATOM 99 CB ARG A 7 3.464 -7.090 -0.317 1.00 0.00 C ATOM 100 CG ARG A 7 3.791 -6.163 -1.476 1.00 0.00 C ATOM 101 CD ARG A 7 4.980 -6.677 -2.269 1.00 0.00 C ATOM 102 NE ARG A 7 4.696 -7.990 -2.852 1.00 0.00 N ATOM 103 CZ ARG A 7 5.515 -8.690 -3.635 1.00 0.00 C ATOM 104 NH1 ARG A 7 6.708 -8.216 -3.961 1.00 0.00 N ATOM 105 NH2 ARG A 7 5.136 -9.874 -4.093 1.00 0.00 N ATOM 0 H ARG A 7 3.248 -5.222 1.441 1.00 0.00 H new ATOM 0 HA ARG A 7 1.358 -6.700 -0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.306 -7.099 0.375 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.353 -8.105 -0.698 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.924 -6.075 -2.131 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.007 -5.164 -1.097 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.226 -5.970 -3.061 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.853 -6.745 -1.619 1.00 0.00 H new ATOM 0 HE ARG A 7 3.789 -8.406 -2.639 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.008 -7.306 -3.612 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.327 -8.761 -4.561 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.219 -10.247 -3.846 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.761 -10.413 -4.693 1.00 0.00 H new ATOM 119 N ILE A 8 0.791 -8.373 1.440 1.00 0.00 N ATOM 120 CA ILE A 8 0.402 -9.395 2.376 1.00 0.00 C ATOM 121 C ILE A 8 -0.006 -10.632 1.568 1.00 0.00 C ATOM 122 O ILE A 8 -1.172 -10.764 1.177 1.00 0.00 O ATOM 123 CB ILE A 8 -0.810 -8.946 3.252 1.00 0.00 C ATOM 124 CG1 ILE A 8 -0.556 -7.557 3.867 1.00 0.00 C ATOM 125 CG2 ILE A 8 -1.054 -9.967 4.360 1.00 0.00 C ATOM 126 CD1 ILE A 8 -1.745 -6.976 4.604 1.00 0.00 C ATOM 0 H ILE A 8 0.105 -8.198 0.706 1.00 0.00 H new ATOM 0 HA ILE A 8 1.238 -9.601 3.044 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.692 -8.884 2.615 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.286 -7.626 4.556 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.263 -6.869 3.074 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -1.901 -9.649 4.968 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.270 -10.939 3.918 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.165 -10.043 4.987 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.481 -5.998 5.006 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.584 -6.872 3.916 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.026 -7.640 5.421 1.00 0.00 H new ATOM 152 N PRO A 10 -0.987 -12.704 -1.396 1.00 0.00 N ATOM 153 CA PRO A 10 -1.539 -12.305 -2.685 1.00 0.00 C ATOM 154 C PRO A 10 -2.302 -10.971 -2.585 1.00 0.00 C ATOM 155 O PRO A 10 -2.736 -10.409 -3.583 1.00 0.00 O ATOM 156 CB PRO A 10 -2.503 -13.448 -3.004 1.00 0.00 C ATOM 157 CG PRO A 10 -2.988 -13.925 -1.669 1.00 0.00 C ATOM 158 CD PRO A 10 -1.893 -13.625 -0.669 1.00 0.00 C ATOM 0 HA PRO A 10 -0.773 -12.146 -3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.330 -13.106 -3.626 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.002 -14.247 -3.551 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -3.913 -13.420 -1.391 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.204 -14.993 -1.696 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -2.292 -13.162 0.234 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.375 -14.533 -0.360 1.00 0.00 H new ATOM 166 N THR A 11 -2.442 -10.486 -1.382 1.00 0.00 N ATOM 167 CA THR A 11 -3.152 -9.279 -1.108 1.00 0.00 C ATOM 168 C THR A 11 -2.179 -8.100 -1.132 1.00 0.00 C ATOM 169 O THR A 11 -1.123 -8.135 -0.497 1.00 0.00 O ATOM 170 CB THR A 11 -3.804 -9.389 0.279 1.00 0.00 C ATOM 171 OG1 THR A 11 -4.583 -10.604 0.335 1.00 0.00 O ATOM 172 CG2 THR A 11 -4.701 -8.197 0.572 1.00 0.00 C ATOM 0 H THR A 11 -2.055 -10.933 -0.551 1.00 0.00 H new ATOM 0 HA THR A 11 -3.922 -9.120 -1.862 1.00 0.00 H new ATOM 0 HB THR A 11 -3.015 -9.405 1.030 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.002 -10.684 1.217 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.145 -8.310 1.561 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.111 -7.281 0.541 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.492 -8.144 -0.176 1.00 0.00 H new ATOM 180 N VAL A 12 -2.525 -7.090 -1.862 1.00 0.00 N ATOM 181 CA VAL A 12 -1.706 -5.918 -1.972 1.00 0.00 C ATOM 182 C VAL A 12 -2.560 -4.673 -1.738 1.00 0.00 C ATOM 183 O VAL A 12 -3.605 -4.472 -2.382 1.00 0.00 O ATOM 184 CB VAL A 12 -0.939 -5.870 -3.337 1.00 0.00 C ATOM 185 CG1 VAL A 12 -1.888 -5.957 -4.526 1.00 0.00 C ATOM 186 CG2 VAL A 12 -0.051 -4.630 -3.431 1.00 0.00 C ATOM 0 H VAL A 12 -3.388 -7.051 -2.404 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.936 -5.952 -1.201 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.294 -6.748 -3.373 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.315 -5.920 -5.452 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.444 -6.893 -4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.585 -5.120 -4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.468 -4.626 -4.390 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.667 -3.734 -3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.680 -4.644 -2.623 1.00 0.00 H new ATOM 196 N ARG A 13 -2.157 -3.879 -0.788 1.00 0.00 N ATOM 197 CA ARG A 13 -2.897 -2.690 -0.424 1.00 0.00 C ATOM 198 C ARG A 13 -2.073 -1.463 -0.725 1.00 0.00 C ATOM 199 O ARG A 13 -1.029 -1.261 -0.122 1.00 0.00 O ATOM 200 CB ARG A 13 -3.235 -2.703 1.066 1.00 0.00 C ATOM 201 CG ARG A 13 -4.061 -3.889 1.524 1.00 0.00 C ATOM 202 CD ARG A 13 -4.311 -3.807 3.014 1.00 0.00 C ATOM 203 NE ARG A 13 -5.072 -4.950 3.522 1.00 0.00 N ATOM 204 CZ ARG A 13 -5.124 -5.317 4.805 1.00 0.00 C ATOM 205 NH1 ARG A 13 -4.451 -4.624 5.721 1.00 0.00 N ATOM 206 NH2 ARG A 13 -5.849 -6.367 5.165 1.00 0.00 N ATOM 0 H ARG A 13 -1.309 -4.031 -0.241 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.821 -2.672 -1.003 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.305 -2.685 1.635 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.775 -1.788 1.309 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.010 -3.909 0.989 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.542 -4.817 1.285 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.356 -3.750 3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.852 -2.887 3.238 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.600 -5.505 2.848 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.897 -3.814 5.442 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.490 -4.903 6.701 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.367 -6.894 4.462 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.889 -6.647 6.145 1.00 0.00 H new ATOM 220 N CYS A 14 -2.508 -0.671 -1.646 1.00 0.00 N ATOM 221 CA CYS A 14 -1.818 0.547 -1.955 1.00 0.00 C ATOM 222 C CYS A 14 -2.522 1.721 -1.302 1.00 0.00 C ATOM 223 O CYS A 14 -3.680 2.033 -1.605 1.00 0.00 O ATOM 224 CB CYS A 14 -1.637 0.731 -3.462 1.00 0.00 C ATOM 225 SG CYS A 14 -0.561 -0.547 -4.233 1.00 0.00 S ATOM 0 H CYS A 14 -3.344 -0.842 -2.205 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.811 0.492 -1.542 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.615 0.709 -3.943 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.210 1.716 -3.651 1.00 0.00 H new ATOM 230 N THR A 15 -1.848 2.315 -0.369 1.00 0.00 N ATOM 231 CA THR A 15 -2.351 3.403 0.399 1.00 0.00 C ATOM 232 C THR A 15 -1.779 4.710 -0.126 1.00 0.00 C ATOM 233 O THR A 15 -0.556 4.845 -0.312 1.00 0.00 O ATOM 234 CB THR A 15 -1.955 3.211 1.872 1.00 0.00 C ATOM 235 OG1 THR A 15 -2.356 1.894 2.292 1.00 0.00 O ATOM 236 CG2 THR A 15 -2.634 4.249 2.754 1.00 0.00 C ATOM 0 H THR A 15 -0.898 2.044 -0.114 1.00 0.00 H new ATOM 0 HA THR A 15 -3.438 3.435 0.318 1.00 0.00 H new ATOM 0 HB THR A 15 -0.876 3.330 1.967 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.107 1.760 3.230 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.339 4.094 3.792 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.334 5.248 2.437 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.716 4.150 2.666 1.00 0.00 H new ATOM 244 N VAL A 16 -2.645 5.647 -0.394 1.00 0.00 N ATOM 245 CA VAL A 16 -2.220 6.926 -0.867 1.00 0.00 C ATOM 246 C VAL A 16 -1.959 7.869 0.294 1.00 0.00 C ATOM 247 O VAL A 16 -2.725 7.928 1.263 1.00 0.00 O ATOM 248 CB VAL A 16 -3.217 7.564 -1.882 1.00 0.00 C ATOM 249 CG1 VAL A 16 -3.279 6.737 -3.154 1.00 0.00 C ATOM 250 CG2 VAL A 16 -4.615 7.709 -1.281 1.00 0.00 C ATOM 0 H VAL A 16 -3.654 5.544 -0.291 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.288 6.762 -1.409 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.850 8.562 -2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.979 7.195 -3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.289 6.694 -3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.613 5.727 -2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.283 8.157 -2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.993 6.727 -0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.567 8.347 -0.398 1.00 0.00 H new ATOM 260 N ARG A 17 -0.860 8.532 0.216 1.00 0.00 N ATOM 261 CA ARG A 17 -0.457 9.535 1.154 1.00 0.00 C ATOM 262 C ARG A 17 -0.172 10.783 0.346 1.00 0.00 C ATOM 263 O ARG A 17 0.973 11.020 -0.045 1.00 0.00 O ATOM 264 CB ARG A 17 0.806 9.087 1.919 1.00 0.00 C ATOM 265 CG ARG A 17 0.588 7.901 2.854 1.00 0.00 C ATOM 266 CD ARG A 17 -0.228 8.309 4.069 1.00 0.00 C ATOM 267 NE ARG A 17 0.507 9.272 4.904 1.00 0.00 N ATOM 268 CZ ARG A 17 -0.034 10.264 5.629 1.00 0.00 C ATOM 269 NH1 ARG A 17 -1.352 10.468 5.630 1.00 0.00 N ATOM 270 NH2 ARG A 17 0.749 11.052 6.354 1.00 0.00 N ATOM 0 H ARG A 17 -0.183 8.389 -0.534 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.234 9.714 1.897 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.580 8.828 1.197 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.181 9.929 2.501 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.076 7.101 2.319 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.551 7.504 3.175 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.171 8.749 3.746 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.474 7.426 4.659 1.00 0.00 H new ATOM 0 HE ARG A 17 1.522 9.177 4.935 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.962 9.867 5.076 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.750 11.225 6.185 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.758 10.903 6.359 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.342 11.807 6.906 1.00 0.00 H new