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 26:sc= 1.18 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0325 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.199 12.508 -1.141 1.00 0.00 N ATOM 2 CA PRO A 1 1.798 12.417 -2.445 1.00 0.00 C ATOM 3 C PRO A 1 2.456 11.056 -2.727 1.00 0.00 C ATOM 4 O PRO A 1 3.039 10.861 -3.797 1.00 0.00 O ATOM 5 CB PRO A 1 2.856 13.512 -2.381 1.00 0.00 C ATOM 6 CG PRO A 1 3.323 13.500 -0.957 1.00 0.00 C ATOM 7 CD PRO A 1 2.169 12.983 -0.128 1.00 0.00 C ATOM 0 H2 PRO A 1 0.839 11.594 -0.866 1.00 0.00 H new ATOM 0 H3 PRO A 1 0.402 13.144 -1.175 1.00 0.00 H new ATOM 0 HA PRO A 1 1.063 12.525 -3.243 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.677 13.311 -3.070 1.00 0.00 H new ATOM 0 HB3 PRO A 1 2.440 14.482 -2.654 1.00 0.00 H new ATOM 0 HG2 PRO A 1 4.199 12.862 -0.842 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.613 14.500 -0.636 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.482 12.178 0.537 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.743 13.766 0.499 1.00 0.00 H new ATOM 15 N VAL A 2 2.371 10.118 -1.795 1.00 0.00 N ATOM 16 CA VAL A 2 3.074 8.859 -1.968 1.00 0.00 C ATOM 17 C VAL A 2 2.116 7.668 -2.050 1.00 0.00 C ATOM 18 O VAL A 2 1.235 7.490 -1.207 1.00 0.00 O ATOM 19 CB VAL A 2 4.131 8.625 -0.846 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.963 7.376 -1.124 1.00 0.00 C ATOM 21 CG2 VAL A 2 5.035 9.840 -0.700 1.00 0.00 C ATOM 0 H VAL A 2 1.835 10.202 -0.931 1.00 0.00 H new ATOM 0 HA VAL A 2 3.598 8.933 -2.921 1.00 0.00 H new ATOM 0 HB VAL A 2 3.595 8.473 0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.691 7.239 -0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.308 6.506 -1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.484 7.490 -2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.766 9.657 0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.554 10.023 -1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.434 10.712 -0.442 1.00 0.00 H new ATOM 31 N THR A 3 2.295 6.871 -3.063 1.00 0.00 N ATOM 32 CA THR A 3 1.502 5.696 -3.273 1.00 0.00 C ATOM 33 C THR A 3 2.236 4.488 -2.682 1.00 0.00 C ATOM 34 O THR A 3 3.266 4.060 -3.207 1.00 0.00 O ATOM 35 CB THR A 3 1.276 5.478 -4.785 1.00 0.00 C ATOM 36 OG1 THR A 3 0.746 6.692 -5.370 1.00 0.00 O ATOM 37 CG2 THR A 3 0.305 4.327 -5.031 1.00 0.00 C ATOM 0 H THR A 3 3.007 7.022 -3.777 1.00 0.00 H new ATOM 0 HA THR A 3 0.535 5.816 -2.785 1.00 0.00 H new ATOM 0 HB THR A 3 2.231 5.227 -5.247 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.603 6.557 -6.330 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.163 4.194 -6.103 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.711 3.411 -4.602 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.653 4.553 -4.563 1.00 0.00 H new ATOM 45 N TRP A 4 1.743 3.983 -1.582 1.00 0.00 N ATOM 46 CA TRP A 4 2.354 2.845 -0.934 1.00 0.00 C ATOM 47 C TRP A 4 1.608 1.587 -1.309 1.00 0.00 C ATOM 48 O TRP A 4 0.448 1.429 -0.942 1.00 0.00 O ATOM 49 CB TRP A 4 2.322 2.995 0.591 1.00 0.00 C ATOM 50 CG TRP A 4 3.051 4.187 1.126 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.558 5.446 1.273 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.398 4.227 1.607 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.512 6.262 1.819 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.650 5.541 2.029 1.00 0.00 C ATOM 55 CE3 TRP A 4 5.413 3.279 1.721 1.00 0.00 C ATOM 56 CZ2 TRP A 4 5.875 5.932 2.557 1.00 0.00 C ATOM 57 CZ3 TRP A 4 6.630 3.666 2.243 1.00 0.00 C ATOM 58 CH2 TRP A 4 6.851 4.983 2.656 1.00 0.00 C ATOM 0 H TRP A 4 0.913 4.343 -1.110 1.00 0.00 H new ATOM 0 HA TRP A 4 3.391 2.787 -1.264 1.00 0.00 H new ATOM 0 HB2 TRP A 4 1.282 3.049 0.914 1.00 0.00 H new ATOM 0 HB3 TRP A 4 2.748 2.097 1.038 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.560 5.756 0.999 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.391 7.252 2.034 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.250 2.259 1.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.048 6.949 2.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.424 2.940 2.334 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.814 5.255 3.062 1.00 0.00 H new ATOM 69 N CYS A 5 2.237 0.736 -2.064 1.00 0.00 N ATOM 70 CA CYS A 5 1.661 -0.536 -2.408 1.00 0.00 C ATOM 71 C CYS A 5 2.299 -1.617 -1.568 1.00 0.00 C ATOM 72 O CYS A 5 3.421 -2.060 -1.836 1.00 0.00 O ATOM 73 CB CYS A 5 1.800 -0.837 -3.905 1.00 0.00 C ATOM 74 SG CYS A 5 0.825 0.269 -4.984 1.00 0.00 S ATOM 0 H CYS A 5 3.163 0.901 -2.460 1.00 0.00 H new ATOM 0 HA CYS A 5 0.592 -0.504 -2.196 1.00 0.00 H new ATOM 0 HB2 CYS A 5 2.851 -0.763 -4.183 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.493 -1.867 -4.087 1.00 0.00 H new ATOM 79 N VAL A 6 1.603 -2.006 -0.529 1.00 0.00 N ATOM 80 CA VAL A 6 2.094 -2.999 0.385 1.00 0.00 C ATOM 81 C VAL A 6 1.462 -4.346 0.085 1.00 0.00 C ATOM 82 O VAL A 6 0.246 -4.456 -0.098 1.00 0.00 O ATOM 83 CB VAL A 6 1.867 -2.587 1.881 1.00 0.00 C ATOM 84 CG1 VAL A 6 0.392 -2.355 2.203 1.00 0.00 C ATOM 85 CG2 VAL A 6 2.479 -3.606 2.843 1.00 0.00 C ATOM 0 H VAL A 6 0.680 -1.641 -0.295 1.00 0.00 H new ATOM 0 HA VAL A 6 3.172 -3.079 0.242 1.00 0.00 H new ATOM 0 HB VAL A 6 2.382 -1.636 2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.288 -2.072 3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.003 -1.556 1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.169 -3.271 2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.302 -3.288 3.871 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.020 -4.581 2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.552 -3.676 2.664 1.00 0.00 H new ATOM 95 N ARG A 7 2.283 -5.341 -0.018 1.00 0.00 N ATOM 96 CA ARG A 7 1.835 -6.675 -0.245 1.00 0.00 C ATOM 97 C ARG A 7 1.711 -7.393 1.063 1.00 0.00 C ATOM 98 O ARG A 7 2.711 -7.818 1.657 1.00 0.00 O ATOM 99 CB ARG A 7 2.767 -7.419 -1.186 1.00 0.00 C ATOM 100 CG ARG A 7 2.705 -6.944 -2.620 1.00 0.00 C ATOM 101 CD ARG A 7 3.802 -7.578 -3.444 1.00 0.00 C ATOM 102 NE ARG A 7 5.117 -7.116 -3.004 1.00 0.00 N ATOM 103 CZ ARG A 7 6.280 -7.698 -3.286 1.00 0.00 C ATOM 104 NH1 ARG A 7 6.320 -8.814 -4.018 1.00 0.00 N ATOM 105 NH2 ARG A 7 7.404 -7.163 -2.829 1.00 0.00 N ATOM 0 H ARG A 7 3.296 -5.248 0.054 1.00 0.00 H new ATOM 0 HA ARG A 7 0.857 -6.636 -0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.790 -7.315 -0.824 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.524 -8.481 -1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 7 1.734 -7.191 -3.048 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.801 -5.859 -2.653 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.746 -8.663 -3.358 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.659 -7.333 -4.497 1.00 0.00 H new ATOM 0 HE ARG A 7 5.146 -6.273 -2.430 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.455 -9.227 -4.366 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.216 -9.253 -4.229 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.372 -6.313 -2.267 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.300 -7.602 -3.040 1.00 0.00 H new ATOM 119 N ILE A 8 0.511 -7.485 1.524 1.00 0.00 N ATOM 120 CA ILE A 8 0.189 -8.160 2.740 1.00 0.00 C ATOM 121 C ILE A 8 -0.204 -9.573 2.356 1.00 0.00 C ATOM 122 O ILE A 8 -1.250 -9.776 1.709 1.00 0.00 O ATOM 123 CB ILE A 8 -0.973 -7.443 3.483 1.00 0.00 C ATOM 124 CG1 ILE A 8 -0.560 -6.000 3.820 1.00 0.00 C ATOM 125 CG2 ILE A 8 -1.373 -8.203 4.747 1.00 0.00 C ATOM 126 CD1 ILE A 8 -1.627 -5.191 4.522 1.00 0.00 C ATOM 0 H ILE A 8 -0.299 -7.082 1.053 1.00 0.00 H new ATOM 0 HA ILE A 8 1.039 -8.162 3.422 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.843 -7.419 2.827 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.330 -6.028 4.449 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.283 -5.490 2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.188 -7.677 5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.699 -9.208 4.479 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.517 -8.266 5.419 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.251 -4.188 4.721 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.512 -5.128 3.888 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.889 -5.674 5.463 1.00 0.00 H new ATOM 152 N PRO A 10 -0.584 -12.515 0.070 1.00 0.00 N ATOM 153 CA PRO A 10 -0.688 -12.531 -1.368 1.00 0.00 C ATOM 154 C PRO A 10 -1.561 -11.374 -1.922 1.00 0.00 C ATOM 155 O PRO A 10 -1.887 -11.343 -3.117 1.00 0.00 O ATOM 156 CB PRO A 10 -1.356 -13.880 -1.637 1.00 0.00 C ATOM 157 CG PRO A 10 -2.106 -14.231 -0.375 1.00 0.00 C ATOM 158 CD PRO A 10 -1.716 -13.221 0.681 1.00 0.00 C ATOM 0 HA PRO A 10 0.280 -12.400 -1.853 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.033 -13.817 -2.489 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.614 -14.642 -1.875 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -3.182 -14.208 -0.549 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -1.858 -15.241 -0.050 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -2.537 -12.542 0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.431 -13.705 1.615 1.00 0.00 H new ATOM 166 N THR A 11 -1.920 -10.435 -1.070 1.00 0.00 N ATOM 167 CA THR A 11 -2.754 -9.312 -1.473 1.00 0.00 C ATOM 168 C THR A 11 -1.976 -8.006 -1.439 1.00 0.00 C ATOM 169 O THR A 11 -0.987 -7.897 -0.728 1.00 0.00 O ATOM 170 CB THR A 11 -4.030 -9.214 -0.599 1.00 0.00 C ATOM 171 OG1 THR A 11 -3.727 -9.453 0.792 1.00 0.00 O ATOM 172 CG2 THR A 11 -5.077 -10.199 -1.063 1.00 0.00 C ATOM 0 H THR A 11 -1.647 -10.425 -0.087 1.00 0.00 H new ATOM 0 HA THR A 11 -3.065 -9.492 -2.502 1.00 0.00 H new ATOM 0 HB THR A 11 -4.421 -8.202 -0.705 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.789 -9.229 0.966 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.963 -10.111 -0.434 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.344 -9.986 -2.098 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.681 -11.212 -0.992 1.00 0.00 H new ATOM 180 N VAL A 12 -2.405 -7.028 -2.200 1.00 0.00 N ATOM 181 CA VAL A 12 -1.712 -5.766 -2.232 1.00 0.00 C ATOM 182 C VAL A 12 -2.668 -4.624 -1.923 1.00 0.00 C ATOM 183 O VAL A 12 -3.832 -4.635 -2.344 1.00 0.00 O ATOM 184 CB VAL A 12 -0.963 -5.531 -3.595 1.00 0.00 C ATOM 185 CG1 VAL A 12 -1.919 -5.503 -4.781 1.00 0.00 C ATOM 186 CG2 VAL A 12 -0.105 -4.269 -3.561 1.00 0.00 C ATOM 0 H VAL A 12 -3.227 -7.082 -2.802 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.946 -5.795 -1.457 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.299 -6.384 -3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.355 -5.338 -5.699 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.447 -6.454 -4.845 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.640 -4.696 -4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.395 -4.143 -4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.738 -3.404 -3.366 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.642 -4.358 -2.772 1.00 0.00 H new ATOM 196 N ARG A 13 -2.211 -3.696 -1.137 1.00 0.00 N ATOM 197 CA ARG A 13 -2.966 -2.513 -0.827 1.00 0.00 C ATOM 198 C ARG A 13 -2.185 -1.322 -1.294 1.00 0.00 C ATOM 199 O ARG A 13 -1.066 -1.103 -0.833 1.00 0.00 O ATOM 200 CB ARG A 13 -3.197 -2.356 0.674 1.00 0.00 C ATOM 201 CG ARG A 13 -3.926 -3.483 1.361 1.00 0.00 C ATOM 202 CD ARG A 13 -4.165 -3.109 2.801 1.00 0.00 C ATOM 203 NE ARG A 13 -4.803 -4.167 3.579 1.00 0.00 N ATOM 204 CZ ARG A 13 -5.285 -3.998 4.813 1.00 0.00 C ATOM 205 NH1 ARG A 13 -5.277 -2.795 5.368 1.00 0.00 N ATOM 206 NH2 ARG A 13 -5.775 -5.021 5.482 1.00 0.00 N ATOM 0 H ARG A 13 -1.296 -3.736 -0.688 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.935 -2.593 -1.320 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.228 -2.231 1.158 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.757 -1.436 0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.875 -3.678 0.861 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.340 -4.401 1.303 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.212 -2.852 3.264 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.788 -2.216 2.838 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.886 -5.091 3.155 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.903 -1.998 4.853 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.645 -2.666 6.310 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.788 -5.949 5.058 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.142 -4.886 6.424 1.00 0.00 H new ATOM 220 N CYS A 14 -2.726 -0.585 -2.203 1.00 0.00 N ATOM 221 CA CYS A 14 -2.094 0.620 -2.652 1.00 0.00 C ATOM 222 C CYS A 14 -2.768 1.804 -2.026 1.00 0.00 C ATOM 223 O CYS A 14 -3.821 2.249 -2.471 1.00 0.00 O ATOM 224 CB CYS A 14 -2.069 0.722 -4.173 1.00 0.00 C ATOM 225 SG CYS A 14 -1.039 -0.554 -4.967 1.00 0.00 S ATOM 0 H CYS A 14 -3.615 -0.794 -2.658 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.052 0.601 -2.334 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.088 0.643 -4.552 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.698 1.707 -4.458 1.00 0.00 H new ATOM 230 N THR A 15 -2.193 2.264 -0.958 1.00 0.00 N ATOM 231 CA THR A 15 -2.707 3.368 -0.219 1.00 0.00 C ATOM 232 C THR A 15 -1.964 4.632 -0.604 1.00 0.00 C ATOM 233 O THR A 15 -0.728 4.712 -0.441 1.00 0.00 O ATOM 234 CB THR A 15 -2.537 3.105 1.286 1.00 0.00 C ATOM 235 OG1 THR A 15 -1.175 2.701 1.539 1.00 0.00 O ATOM 236 CG2 THR A 15 -3.486 2.015 1.756 1.00 0.00 C ATOM 0 H THR A 15 -1.335 1.872 -0.570 1.00 0.00 H new ATOM 0 HA THR A 15 -3.766 3.492 -0.446 1.00 0.00 H new ATOM 0 HB THR A 15 -2.768 4.019 1.833 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.056 2.532 2.497 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.347 1.847 2.824 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.515 2.322 1.568 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.278 1.093 1.214 1.00 0.00 H new ATOM 244 N VAL A 16 -2.668 5.581 -1.145 1.00 0.00 N ATOM 245 CA VAL A 16 -2.067 6.829 -1.507 1.00 0.00 C ATOM 246 C VAL A 16 -2.117 7.739 -0.307 1.00 0.00 C ATOM 247 O VAL A 16 -3.178 8.246 0.062 1.00 0.00 O ATOM 248 CB VAL A 16 -2.765 7.498 -2.719 1.00 0.00 C ATOM 249 CG1 VAL A 16 -2.037 8.776 -3.126 1.00 0.00 C ATOM 250 CG2 VAL A 16 -2.825 6.534 -3.890 1.00 0.00 C ATOM 0 H VAL A 16 -3.666 5.513 -1.346 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.037 6.642 -1.812 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.781 7.760 -2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.544 9.228 -3.978 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.036 9.476 -2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.009 8.538 -3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.318 7.017 -4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.813 6.246 -4.176 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.387 5.646 -3.602 1.00 0.00 H new ATOM 260 N ARG A 17 -1.002 7.879 0.325 1.00 0.00 N ATOM 261 CA ARG A 17 -0.863 8.690 1.493 1.00 0.00 C ATOM 262 C ARG A 17 -0.252 10.000 1.069 1.00 0.00 C ATOM 263 O ARG A 17 0.942 10.052 0.758 1.00 0.00 O ATOM 264 CB ARG A 17 0.013 7.978 2.528 1.00 0.00 C ATOM 265 CG ARG A 17 -0.584 6.673 3.031 1.00 0.00 C ATOM 266 CD ARG A 17 0.353 5.923 3.966 1.00 0.00 C ATOM 267 NE ARG A 17 0.703 6.686 5.171 1.00 0.00 N ATOM 268 CZ ARG A 17 0.993 6.143 6.362 1.00 0.00 C ATOM 269 NH1 ARG A 17 0.869 4.830 6.552 1.00 0.00 N ATOM 270 NH2 ARG A 17 1.379 6.917 7.367 1.00 0.00 N ATOM 0 H ARG A 17 -0.137 7.421 0.038 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.832 8.869 1.959 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.990 7.776 2.089 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.176 8.644 3.375 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.519 6.882 3.551 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.827 6.037 2.180 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.115 4.984 4.262 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.266 5.669 3.427 1.00 0.00 H new ATOM 0 HE ARG A 17 0.727 7.703 5.096 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.552 4.232 5.789 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.091 4.423 7.460 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.455 7.925 7.234 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.600 6.504 8.273 1.00 0.00 H new