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 0.564 12.735 -1.729 1.00 0.00 N ATOM 2 CA PRO A 1 0.979 12.532 -3.099 1.00 0.00 C ATOM 3 C PRO A 1 1.861 11.275 -3.278 1.00 0.00 C ATOM 4 O PRO A 1 2.330 10.986 -4.391 1.00 0.00 O ATOM 5 CB PRO A 1 1.784 13.794 -3.379 1.00 0.00 C ATOM 6 CG PRO A 1 2.418 14.138 -2.065 1.00 0.00 C ATOM 7 CD PRO A 1 1.542 13.548 -0.978 1.00 0.00 C ATOM 0 H2 PRO A 1 0.449 11.831 -1.270 1.00 0.00 H new ATOM 0 H3 PRO A 1 -0.346 13.196 -1.713 1.00 0.00 H new ATOM 0 HA PRO A 1 0.136 12.370 -3.771 1.00 0.00 H new ATOM 0 HB2 PRO A 1 2.536 13.622 -4.149 1.00 0.00 H new ATOM 0 HB3 PRO A 1 1.144 14.602 -3.734 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.428 13.733 -2.007 1.00 0.00 H new ATOM 0 HG3 PRO A 1 2.501 15.219 -1.949 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.120 12.940 -0.282 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.052 14.325 -0.391 1.00 0.00 H new ATOM 15 N VAL A 2 2.078 10.535 -2.204 1.00 0.00 N ATOM 16 CA VAL A 2 2.934 9.364 -2.242 1.00 0.00 C ATOM 17 C VAL A 2 2.087 8.093 -2.133 1.00 0.00 C ATOM 18 O VAL A 2 1.208 8.001 -1.290 1.00 0.00 O ATOM 19 CB VAL A 2 3.996 9.400 -1.101 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.946 8.215 -1.195 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.781 10.706 -1.136 1.00 0.00 C ATOM 0 H VAL A 2 1.669 10.727 -1.289 1.00 0.00 H new ATOM 0 HA VAL A 2 3.464 9.364 -3.194 1.00 0.00 H new ATOM 0 HB VAL A 2 3.464 9.336 -0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.675 8.268 -0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.380 7.287 -1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.465 8.240 -2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.516 10.710 -0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.291 10.798 -2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.097 11.545 -1.007 1.00 0.00 H new ATOM 31 N THR A 3 2.333 7.142 -2.989 1.00 0.00 N ATOM 32 CA THR A 3 1.591 5.910 -2.981 1.00 0.00 C ATOM 33 C THR A 3 2.474 4.782 -2.430 1.00 0.00 C ATOM 34 O THR A 3 3.613 4.612 -2.865 1.00 0.00 O ATOM 35 CB THR A 3 1.134 5.574 -4.418 1.00 0.00 C ATOM 36 OG1 THR A 3 0.460 6.718 -4.973 1.00 0.00 O ATOM 37 CG2 THR A 3 0.188 4.377 -4.432 1.00 0.00 C ATOM 0 H THR A 3 3.051 7.197 -3.711 1.00 0.00 H new ATOM 0 HA THR A 3 0.713 6.016 -2.344 1.00 0.00 H new ATOM 0 HB THR A 3 2.013 5.321 -5.011 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.168 6.514 -5.886 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.116 4.165 -5.457 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.696 3.507 -4.017 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.693 4.603 -3.832 1.00 0.00 H new ATOM 45 N TRP A 4 1.983 4.055 -1.462 1.00 0.00 N ATOM 46 CA TRP A 4 2.715 2.953 -0.883 1.00 0.00 C ATOM 47 C TRP A 4 2.006 1.645 -1.203 1.00 0.00 C ATOM 48 O TRP A 4 0.969 1.331 -0.619 1.00 0.00 O ATOM 49 CB TRP A 4 2.846 3.120 0.639 1.00 0.00 C ATOM 50 CG TRP A 4 3.573 4.366 1.068 1.00 0.00 C ATOM 51 CD1 TRP A 4 3.027 5.587 1.320 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.977 4.506 1.297 1.00 0.00 C ATOM 53 NE1 TRP A 4 4.003 6.477 1.702 1.00 0.00 N ATOM 54 CE2 TRP A 4 5.208 5.839 1.692 1.00 0.00 C ATOM 55 CE3 TRP A 4 6.058 3.635 1.211 1.00 0.00 C ATOM 56 CZ2 TRP A 4 6.479 6.316 1.995 1.00 0.00 C ATOM 57 CZ3 TRP A 4 7.320 4.108 1.510 1.00 0.00 C ATOM 58 CH2 TRP A 4 7.519 5.438 1.899 1.00 0.00 C ATOM 0 H TRP A 4 1.063 4.208 -1.050 1.00 0.00 H new ATOM 0 HA TRP A 4 3.717 2.939 -1.311 1.00 0.00 H new ATOM 0 HB2 TRP A 4 1.849 3.127 1.079 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.367 2.252 1.044 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.977 5.823 1.232 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.851 7.454 1.952 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.913 2.606 0.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.637 7.342 2.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 8.167 3.441 1.443 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.519 5.777 2.128 1.00 0.00 H new ATOM 69 N CYS A 5 2.510 0.928 -2.173 1.00 0.00 N ATOM 70 CA CYS A 5 1.937 -0.348 -2.529 1.00 0.00 C ATOM 71 C CYS A 5 2.625 -1.467 -1.774 1.00 0.00 C ATOM 72 O CYS A 5 3.730 -1.898 -2.126 1.00 0.00 O ATOM 73 CB CYS A 5 1.989 -0.587 -4.039 1.00 0.00 C ATOM 74 SG CYS A 5 1.038 0.622 -5.027 1.00 0.00 S ATOM 0 H CYS A 5 3.317 1.204 -2.732 1.00 0.00 H new ATOM 0 HA CYS A 5 0.886 -0.335 -2.241 1.00 0.00 H new ATOM 0 HB2 CYS A 5 3.030 -0.564 -4.363 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.611 -1.588 -4.250 1.00 0.00 H new ATOM 79 N VAL A 6 1.992 -1.906 -0.724 1.00 0.00 N ATOM 80 CA VAL A 6 2.510 -2.959 0.116 1.00 0.00 C ATOM 81 C VAL A 6 1.666 -4.199 -0.072 1.00 0.00 C ATOM 82 O VAL A 6 0.574 -4.129 -0.642 1.00 0.00 O ATOM 83 CB VAL A 6 2.516 -2.563 1.623 1.00 0.00 C ATOM 84 CG1 VAL A 6 3.443 -1.392 1.876 1.00 0.00 C ATOM 85 CG2 VAL A 6 1.108 -2.238 2.117 1.00 0.00 C ATOM 0 H VAL A 6 1.090 -1.541 -0.419 1.00 0.00 H new ATOM 0 HA VAL A 6 3.543 -3.144 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 6 2.885 -3.422 2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.427 -1.138 2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.458 -1.661 1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.112 -0.533 1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.146 -1.966 3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.704 -1.405 1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.468 -3.111 1.991 1.00 0.00 H new ATOM 95 N ARG A 7 2.138 -5.315 0.381 1.00 0.00 N ATOM 96 CA ARG A 7 1.374 -6.515 0.258 1.00 0.00 C ATOM 97 C ARG A 7 1.223 -7.209 1.581 1.00 0.00 C ATOM 98 O ARG A 7 2.164 -7.288 2.379 1.00 0.00 O ATOM 99 CB ARG A 7 1.947 -7.465 -0.798 1.00 0.00 C ATOM 100 CG ARG A 7 3.345 -7.976 -0.510 1.00 0.00 C ATOM 101 CD ARG A 7 3.809 -8.915 -1.595 1.00 0.00 C ATOM 102 NE ARG A 7 2.996 -10.138 -1.660 1.00 0.00 N ATOM 103 CZ ARG A 7 2.862 -10.902 -2.746 1.00 0.00 C ATOM 104 NH1 ARG A 7 3.409 -10.534 -3.894 1.00 0.00 N ATOM 105 NH2 ARG A 7 2.172 -12.034 -2.671 1.00 0.00 N ATOM 0 H ARG A 7 3.044 -5.422 0.837 1.00 0.00 H new ATOM 0 HA ARG A 7 0.382 -6.218 -0.083 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.278 -8.319 -0.898 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.955 -6.952 -1.760 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.035 -7.136 -0.431 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.358 -8.490 0.451 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.769 -8.403 -2.557 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.851 -9.183 -1.419 1.00 0.00 H new ATOM 0 HE ARG A 7 2.499 -10.423 -0.816 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.936 -9.663 -3.952 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.303 -11.122 -4.721 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.748 -12.315 -1.787 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.066 -12.622 -3.497 1.00 0.00 H new ATOM 119 N ILE A 8 0.041 -7.674 1.813 1.00 0.00 N ATOM 120 CA ILE A 8 -0.293 -8.437 2.966 1.00 0.00 C ATOM 121 C ILE A 8 -0.585 -9.834 2.445 1.00 0.00 C ATOM 122 O ILE A 8 -1.622 -10.049 1.787 1.00 0.00 O ATOM 123 CB ILE A 8 -1.551 -7.876 3.685 1.00 0.00 C ATOM 124 CG1 ILE A 8 -1.349 -6.392 4.040 1.00 0.00 C ATOM 125 CG2 ILE A 8 -1.844 -8.687 4.949 1.00 0.00 C ATOM 126 CD1 ILE A 8 -2.555 -5.743 4.691 1.00 0.00 C ATOM 0 H ILE A 8 -0.746 -7.527 1.181 1.00 0.00 H new ATOM 0 HA ILE A 8 0.517 -8.414 3.695 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.403 -7.959 3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.495 -6.303 4.711 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.100 -5.843 3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.728 -8.284 5.443 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.022 -9.728 4.680 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.991 -8.628 5.625 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.332 -4.699 4.910 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.408 -5.798 4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.793 -6.265 5.618 1.00 0.00 H new ATOM 152 N PRO A 10 -0.891 -12.623 -0.037 1.00 0.00 N ATOM 153 CA PRO A 10 -1.057 -12.612 -1.484 1.00 0.00 C ATOM 154 C PRO A 10 -1.811 -11.367 -1.983 1.00 0.00 C ATOM 155 O PRO A 10 -2.013 -11.188 -3.191 1.00 0.00 O ATOM 156 CB PRO A 10 -1.894 -13.867 -1.718 1.00 0.00 C ATOM 157 CG PRO A 10 -2.772 -13.958 -0.510 1.00 0.00 C ATOM 158 CD PRO A 10 -1.989 -13.362 0.635 1.00 0.00 C ATOM 0 HA PRO A 10 -0.105 -12.591 -2.015 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.482 -13.788 -2.632 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -1.265 -14.751 -1.820 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -3.704 -13.415 -0.666 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.038 -14.994 -0.301 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -2.607 -12.698 1.240 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.603 -14.134 1.301 1.00 0.00 H new ATOM 166 N THR A 11 -2.218 -10.512 -1.073 1.00 0.00 N ATOM 167 CA THR A 11 -3.006 -9.368 -1.433 1.00 0.00 C ATOM 168 C THR A 11 -2.175 -8.096 -1.386 1.00 0.00 C ATOM 169 O THR A 11 -1.561 -7.772 -0.371 1.00 0.00 O ATOM 170 CB THR A 11 -4.216 -9.258 -0.505 1.00 0.00 C ATOM 171 OG1 THR A 11 -4.894 -10.528 -0.491 1.00 0.00 O ATOM 172 CG2 THR A 11 -5.185 -8.190 -0.986 1.00 0.00 C ATOM 0 H THR A 11 -2.013 -10.592 -0.077 1.00 0.00 H new ATOM 0 HA THR A 11 -3.357 -9.496 -2.457 1.00 0.00 H new ATOM 0 HB THR A 11 -3.870 -8.984 0.492 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.673 -10.476 0.101 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.035 -8.136 -0.305 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.679 -7.225 -1.012 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.537 -8.442 -1.986 1.00 0.00 H new ATOM 180 N VAL A 12 -2.159 -7.391 -2.480 1.00 0.00 N ATOM 181 CA VAL A 12 -1.404 -6.164 -2.596 1.00 0.00 C ATOM 182 C VAL A 12 -2.355 -4.990 -2.447 1.00 0.00 C ATOM 183 O VAL A 12 -3.462 -5.014 -2.987 1.00 0.00 O ATOM 184 CB VAL A 12 -0.665 -6.071 -3.963 1.00 0.00 C ATOM 185 CG1 VAL A 12 0.201 -4.815 -4.045 1.00 0.00 C ATOM 186 CG2 VAL A 12 0.178 -7.314 -4.211 1.00 0.00 C ATOM 0 H VAL A 12 -2.670 -7.647 -3.325 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.648 -6.146 -1.811 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.425 -6.007 -4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.703 -4.781 -5.012 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.427 -3.932 -3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.947 -4.835 -3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.684 -7.225 -5.172 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.920 -7.415 -3.418 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.465 -8.194 -4.220 1.00 0.00 H new ATOM 196 N ARG A 13 -1.948 -3.998 -1.709 1.00 0.00 N ATOM 197 CA ARG A 13 -2.747 -2.826 -1.492 1.00 0.00 C ATOM 198 C ARG A 13 -1.912 -1.582 -1.667 1.00 0.00 C ATOM 199 O ARG A 13 -0.752 -1.535 -1.260 1.00 0.00 O ATOM 200 CB ARG A 13 -3.386 -2.830 -0.100 1.00 0.00 C ATOM 201 CG ARG A 13 -2.402 -3.036 1.039 1.00 0.00 C ATOM 202 CD ARG A 13 -3.010 -2.673 2.376 1.00 0.00 C ATOM 203 NE ARG A 13 -4.291 -3.343 2.625 1.00 0.00 N ATOM 204 CZ ARG A 13 -5.101 -3.063 3.647 1.00 0.00 C ATOM 205 NH1 ARG A 13 -4.674 -2.288 4.656 1.00 0.00 N ATOM 206 NH2 ARG A 13 -6.316 -3.608 3.689 1.00 0.00 N ATOM 0 H ARG A 13 -1.044 -3.979 -1.237 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.547 -2.832 -2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.906 -1.884 0.051 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.139 -3.617 -0.061 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.079 -4.077 1.057 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.513 -2.429 0.866 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.310 -2.933 3.170 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.156 -1.594 2.421 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.582 -4.072 1.973 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.727 -1.910 4.643 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.297 -2.077 5.435 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.620 -4.234 2.943 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.942 -3.399 4.467 1.00 0.00 H new ATOM 220 N CYS A 14 -2.477 -0.601 -2.279 1.00 0.00 N ATOM 221 CA CYS A 14 -1.806 0.646 -2.455 1.00 0.00 C ATOM 222 C CYS A 14 -2.458 1.691 -1.595 1.00 0.00 C ATOM 223 O CYS A 14 -3.591 2.122 -1.857 1.00 0.00 O ATOM 224 CB CYS A 14 -1.771 1.059 -3.927 1.00 0.00 C ATOM 225 SG CYS A 14 -0.863 -0.110 -5.000 1.00 0.00 S ATOM 0 H CYS A 14 -3.417 -0.637 -2.673 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.768 0.538 -2.141 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.794 1.154 -4.292 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.311 2.044 -4.008 1.00 0.00 H new ATOM 230 N THR A 15 -1.795 2.032 -0.532 1.00 0.00 N ATOM 231 CA THR A 15 -2.254 3.044 0.356 1.00 0.00 C ATOM 232 C THR A 15 -1.662 4.360 -0.113 1.00 0.00 C ATOM 233 O THR A 15 -0.449 4.459 -0.329 1.00 0.00 O ATOM 234 CB THR A 15 -1.773 2.752 1.791 1.00 0.00 C ATOM 235 OG1 THR A 15 -2.072 1.385 2.128 1.00 0.00 O ATOM 236 CG2 THR A 15 -2.466 3.679 2.783 1.00 0.00 C ATOM 0 H THR A 15 -0.909 1.607 -0.258 1.00 0.00 H new ATOM 0 HA THR A 15 -3.343 3.080 0.359 1.00 0.00 H new ATOM 0 HB THR A 15 -0.697 2.920 1.842 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.765 1.198 3.040 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.115 3.460 3.792 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.235 4.715 2.535 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.544 3.526 2.732 1.00 0.00 H new ATOM 244 N VAL A 16 -2.479 5.334 -0.328 1.00 0.00 N ATOM 245 CA VAL A 16 -1.979 6.593 -0.766 1.00 0.00 C ATOM 246 C VAL A 16 -1.868 7.513 0.425 1.00 0.00 C ATOM 247 O VAL A 16 -2.815 7.658 1.208 1.00 0.00 O ATOM 248 CB VAL A 16 -2.862 7.235 -1.865 1.00 0.00 C ATOM 249 CG1 VAL A 16 -2.203 8.493 -2.416 1.00 0.00 C ATOM 250 CG2 VAL A 16 -3.136 6.246 -2.990 1.00 0.00 C ATOM 0 H VAL A 16 -3.491 5.284 -0.209 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.999 6.431 -1.214 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.814 7.511 -1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.839 8.929 -3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.064 9.214 -1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.235 8.238 -2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.758 6.721 -3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.193 5.934 -3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.654 5.374 -2.590 1.00 0.00 H new ATOM 260 N ARG A 17 -0.710 8.072 0.591 1.00 0.00 N ATOM 261 CA ARG A 17 -0.432 8.993 1.646 1.00 0.00 C ATOM 262 C ARG A 17 -0.104 10.324 1.006 1.00 0.00 C ATOM 263 O ARG A 17 1.026 10.537 0.547 1.00 0.00 O ATOM 264 CB ARG A 17 0.752 8.515 2.486 1.00 0.00 C ATOM 265 CG ARG A 17 0.567 7.158 3.159 1.00 0.00 C ATOM 266 CD ARG A 17 -0.589 7.165 4.131 1.00 0.00 C ATOM 267 NE ARG A 17 -0.412 8.164 5.189 1.00 0.00 N ATOM 268 CZ ARG A 17 -1.391 8.617 5.974 1.00 0.00 C ATOM 269 NH1 ARG A 17 -2.629 8.159 5.819 1.00 0.00 N ATOM 270 NH2 ARG A 17 -1.134 9.523 6.911 1.00 0.00 N ATOM 0 H ARG A 17 0.088 7.895 -0.020 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.294 9.077 2.308 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.634 8.468 1.848 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.955 9.260 3.256 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.397 6.396 2.399 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.482 6.886 3.685 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.514 7.368 3.592 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.692 6.177 4.579 1.00 0.00 H new ATOM 0 HE ARG A 17 0.525 8.539 5.335 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.829 7.463 5.101 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.379 8.504 6.418 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.185 9.876 7.033 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.886 9.866 7.509 1.00 0.00 H new