USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 132 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 NoAdj-H: A 1 GLY H1 : A 1 GLY N : A 18 ARG C :(NH2R) USER MOD NoAdj-H: A 1 GLY H3 : A 1 GLY N : A 18 ARG C :(NH2R) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -1.38 (180deg=-1.38) USER MOD Single : A 17 THR OG1 : rot 180:sc=-0.00808 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.047 -0.886 1.104 1.00 0.00 N ATOM 2 CA GLY A 1 -12.288 -2.296 1.234 1.00 0.00 C ATOM 3 C GLY A 1 -11.650 -3.089 0.102 1.00 0.00 C ATOM 4 O GLY A 1 -11.646 -4.318 0.127 1.00 0.00 O ATOM 0 H2 GLY A 1 -12.498 -0.382 1.894 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.894 -2.645 2.188 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.362 -2.481 1.246 1.00 0.00 H new ATOM 8 N ASP A 2 -11.125 -2.398 -0.899 1.00 0.00 N ATOM 9 CA ASP A 2 -10.460 -3.047 -2.013 1.00 0.00 C ATOM 10 C ASP A 2 -8.978 -2.903 -1.824 1.00 0.00 C ATOM 11 O ASP A 2 -8.502 -1.828 -1.409 1.00 0.00 O ATOM 12 CB ASP A 2 -10.889 -2.430 -3.351 1.00 0.00 C ATOM 13 CG ASP A 2 -10.084 -2.954 -4.524 1.00 0.00 C ATOM 14 OD1 ASP A 2 -10.330 -4.104 -4.983 1.00 0.00 O ATOM 15 OD2 ASP A 2 -9.179 -2.233 -5.000 1.00 0.00 O ATOM 0 H ASP A 2 -11.149 -1.380 -0.960 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.738 -4.101 -2.037 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.946 -2.638 -3.520 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.782 -1.347 -3.297 1.00 0.00 H new ATOM 20 N CYS A 3 -8.243 -3.936 -2.096 1.00 0.00 N ATOM 21 CA CYS A 3 -6.829 -3.906 -1.845 1.00 0.00 C ATOM 22 C CYS A 3 -6.006 -3.833 -3.118 1.00 0.00 C ATOM 23 O CYS A 3 -6.425 -4.319 -4.178 1.00 0.00 O ATOM 24 CB CYS A 3 -6.412 -5.082 -0.979 1.00 0.00 C ATOM 25 SG CYS A 3 -7.246 -5.123 0.644 1.00 0.00 S ATOM 0 H CYS A 3 -8.593 -4.809 -2.490 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.623 -2.986 -1.299 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.625 -6.009 -1.512 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.334 -5.044 -0.824 1.00 0.00 H new ATOM 30 N ARG A 4 -4.866 -3.184 -3.020 1.00 0.00 N ATOM 31 CA ARG A 4 -3.942 -3.062 -4.123 1.00 0.00 C ATOM 32 C ARG A 4 -2.525 -3.276 -3.607 1.00 0.00 C ATOM 33 O ARG A 4 -2.137 -2.710 -2.580 1.00 0.00 O ATOM 34 CB ARG A 4 -4.059 -1.677 -4.764 1.00 0.00 C ATOM 35 CG ARG A 4 -3.134 -1.457 -5.953 1.00 0.00 C ATOM 36 CD ARG A 4 -3.256 -0.047 -6.489 1.00 0.00 C ATOM 37 NE ARG A 4 -2.291 0.225 -7.562 1.00 0.00 N ATOM 38 CZ ARG A 4 -1.556 1.348 -7.661 1.00 0.00 C ATOM 39 NH1 ARG A 4 -1.753 2.353 -6.811 1.00 0.00 N ATOM 40 NH2 ARG A 4 -0.663 1.481 -8.632 1.00 0.00 N ATOM 0 H ARG A 4 -4.553 -2.723 -2.165 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.178 -3.812 -4.878 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.089 -1.525 -5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.847 -0.921 -4.008 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.103 -1.647 -5.655 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.375 -2.170 -6.741 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.267 0.111 -6.864 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.103 0.663 -5.676 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.169 -0.487 -8.282 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.462 2.273 -6.082 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -1.195 3.203 -6.888 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.530 0.730 -9.309 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -0.109 2.335 -8.702 1.00 0.00 H new ATOM 54 N CYS A 5 -1.767 -4.084 -4.279 1.00 0.00 N ATOM 55 CA CYS A 5 -0.415 -4.322 -3.859 1.00 0.00 C ATOM 56 C CYS A 5 0.552 -3.435 -4.586 1.00 0.00 C ATOM 57 O CYS A 5 0.372 -3.147 -5.771 1.00 0.00 O ATOM 58 CB CYS A 5 -0.022 -5.780 -3.993 1.00 0.00 C ATOM 59 SG CYS A 5 -1.010 -6.916 -2.961 1.00 0.00 S ATOM 0 H CYS A 5 -2.055 -4.589 -5.117 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.369 -4.071 -2.799 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.120 -6.077 -5.037 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.030 -5.888 -3.728 1.00 0.00 H new ATOM 64 N LEU A 6 1.545 -2.978 -3.873 1.00 0.00 N ATOM 65 CA LEU A 6 2.564 -2.128 -4.439 1.00 0.00 C ATOM 66 C LEU A 6 3.887 -2.310 -3.721 1.00 0.00 C ATOM 67 O LEU A 6 3.943 -2.868 -2.614 1.00 0.00 O ATOM 68 CB LEU A 6 2.106 -0.635 -4.485 1.00 0.00 C ATOM 69 CG LEU A 6 1.543 0.012 -3.187 1.00 0.00 C ATOM 70 CD1 LEU A 6 2.610 0.219 -2.114 1.00 0.00 C ATOM 71 CD2 LEU A 6 0.853 1.327 -3.513 1.00 0.00 C ATOM 0 H LEU A 6 1.673 -3.183 -2.882 1.00 0.00 H new ATOM 0 HA LEU A 6 2.721 -2.433 -5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.958 -0.037 -4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.342 -0.547 -5.257 1.00 0.00 H new ATOM 0 HG LEU A 6 0.817 -0.688 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.157 0.673 -1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.045 -0.743 -1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.391 0.875 -2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.463 1.770 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.569 2.010 -3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.032 1.145 -4.206 1.00 0.00 H new ATOM 83 N CYS A 7 4.935 -1.896 -4.335 1.00 0.00 N ATOM 84 CA CYS A 7 6.217 -1.957 -3.722 1.00 0.00 C ATOM 85 C CYS A 7 6.822 -0.584 -3.777 1.00 0.00 C ATOM 86 O CYS A 7 6.713 0.100 -4.796 1.00 0.00 O ATOM 87 CB CYS A 7 7.129 -2.974 -4.413 1.00 0.00 C ATOM 88 SG CYS A 7 6.491 -4.693 -4.436 1.00 0.00 S ATOM 0 H CYS A 7 4.931 -1.505 -5.277 1.00 0.00 H new ATOM 0 HA CYS A 7 6.108 -2.286 -2.689 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.297 -2.651 -5.440 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.098 -2.968 -3.915 1.00 0.00 H new ATOM 93 N ARG A 8 7.421 -0.166 -2.701 1.00 0.00 N ATOM 94 CA ARG A 8 7.983 1.138 -2.635 1.00 0.00 C ATOM 95 C ARG A 8 9.218 1.116 -1.755 1.00 0.00 C ATOM 96 O ARG A 8 9.228 0.453 -0.705 1.00 0.00 O ATOM 97 CB ARG A 8 6.930 2.130 -2.120 1.00 0.00 C ATOM 98 CG ARG A 8 7.364 3.584 -2.117 1.00 0.00 C ATOM 99 CD ARG A 8 6.214 4.497 -1.740 1.00 0.00 C ATOM 100 NE ARG A 8 5.102 4.396 -2.702 1.00 0.00 N ATOM 101 CZ ARG A 8 4.063 5.235 -2.782 1.00 0.00 C ATOM 102 NH1 ARG A 8 3.984 6.300 -1.980 1.00 0.00 N ATOM 103 NH2 ARG A 8 3.112 5.009 -3.677 1.00 0.00 N ATOM 0 H ARG A 8 7.530 -0.721 -1.852 1.00 0.00 H new ATOM 0 HA ARG A 8 8.288 1.465 -3.629 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.034 2.036 -2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.653 1.847 -1.104 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.186 3.720 -1.414 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.740 3.856 -3.103 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.857 4.240 -0.743 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.566 5.528 -1.697 1.00 0.00 H new ATOM 0 HE ARG A 8 5.127 3.620 -3.363 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.720 6.480 -1.298 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.187 6.933 -2.050 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.176 4.201 -4.297 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.316 5.643 -3.746 1.00 0.00 H new ATOM 117 N ARG A 9 10.275 1.775 -2.226 1.00 0.00 N ATOM 118 CA ARG A 9 11.556 1.920 -1.508 1.00 0.00 C ATOM 119 C ARG A 9 12.296 0.597 -1.321 1.00 0.00 C ATOM 120 O ARG A 9 13.251 0.510 -0.539 1.00 0.00 O ATOM 121 CB ARG A 9 11.380 2.634 -0.157 1.00 0.00 C ATOM 122 CG ARG A 9 10.980 4.105 -0.252 1.00 0.00 C ATOM 123 CD ARG A 9 12.024 4.914 -1.007 1.00 0.00 C ATOM 124 NE ARG A 9 13.358 4.760 -0.414 1.00 0.00 N ATOM 125 CZ ARG A 9 14.494 4.587 -1.101 1.00 0.00 C ATOM 126 NH1 ARG A 9 14.489 4.624 -2.429 1.00 0.00 N ATOM 127 NH2 ARG A 9 15.626 4.384 -0.452 1.00 0.00 N ATOM 0 H ARG A 9 10.273 2.236 -3.136 1.00 0.00 H new ATOM 0 HA ARG A 9 12.178 2.544 -2.150 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.623 2.104 0.421 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.315 2.562 0.399 1.00 0.00 H new ATOM 0 HG2 ARG A 9 10.017 4.190 -0.755 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.854 4.515 0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.049 4.595 -2.049 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.742 5.967 -1.003 1.00 0.00 H new ATOM 0 HE ARG A 9 13.425 4.787 0.603 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.616 4.785 -2.931 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.358 4.491 -2.946 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.632 4.360 0.568 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.494 4.252 -0.970 1.00 0.00 H new ATOM 141 N GLY A 10 11.882 -0.409 -2.038 1.00 0.00 N ATOM 142 CA GLY A 10 12.514 -1.707 -1.942 1.00 0.00 C ATOM 143 C GLY A 10 11.752 -2.630 -1.031 1.00 0.00 C ATOM 144 O GLY A 10 12.177 -3.750 -0.768 1.00 0.00 O ATOM 0 H GLY A 10 11.107 -0.361 -2.700 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.585 -2.152 -2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.533 -1.590 -1.572 1.00 0.00 H new ATOM 148 N ASP A 11 10.631 -2.164 -0.547 1.00 0.00 N ATOM 149 CA ASP A 11 9.787 -2.931 0.350 1.00 0.00 C ATOM 150 C ASP A 11 8.401 -3.074 -0.243 1.00 0.00 C ATOM 151 O ASP A 11 7.866 -2.124 -0.810 1.00 0.00 O ATOM 152 CB ASP A 11 9.729 -2.255 1.730 1.00 0.00 C ATOM 153 CG ASP A 11 8.616 -2.782 2.608 1.00 0.00 C ATOM 154 OD1 ASP A 11 8.723 -3.912 3.141 1.00 0.00 O ATOM 155 OD2 ASP A 11 7.611 -2.066 2.777 1.00 0.00 O ATOM 0 H ASP A 11 10.269 -1.235 -0.762 1.00 0.00 H new ATOM 0 HA ASP A 11 10.210 -3.927 0.478 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.682 -2.400 2.238 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.599 -1.181 1.596 1.00 0.00 H new ATOM 160 N CYS A 12 7.829 -4.246 -0.149 1.00 0.00 N ATOM 161 CA CYS A 12 6.517 -4.466 -0.709 1.00 0.00 C ATOM 162 C CYS A 12 5.470 -4.535 0.349 1.00 0.00 C ATOM 163 O CYS A 12 5.704 -5.044 1.449 1.00 0.00 O ATOM 164 CB CYS A 12 6.459 -5.703 -1.576 1.00 0.00 C ATOM 165 SG CYS A 12 7.576 -5.669 -3.019 1.00 0.00 S ATOM 0 H CYS A 12 8.245 -5.059 0.306 1.00 0.00 H new ATOM 0 HA CYS A 12 6.314 -3.604 -1.344 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.703 -6.572 -0.964 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.436 -5.837 -1.927 1.00 0.00 H new ATOM 170 N ARG A 13 4.333 -4.009 0.033 1.00 0.00 N ATOM 171 CA ARG A 13 3.204 -4.043 0.945 1.00 0.00 C ATOM 172 C ARG A 13 1.904 -3.933 0.175 1.00 0.00 C ATOM 173 O ARG A 13 1.864 -3.382 -0.929 1.00 0.00 O ATOM 174 CB ARG A 13 3.306 -2.925 1.996 1.00 0.00 C ATOM 175 CG ARG A 13 3.333 -1.516 1.426 1.00 0.00 C ATOM 176 CD ARG A 13 3.471 -0.485 2.530 1.00 0.00 C ATOM 177 NE ARG A 13 2.341 -0.502 3.475 1.00 0.00 N ATOM 178 CZ ARG A 13 2.193 0.343 4.505 1.00 0.00 C ATOM 179 NH1 ARG A 13 3.151 1.232 4.792 1.00 0.00 N ATOM 180 NH2 ARG A 13 1.103 0.276 5.269 1.00 0.00 N ATOM 0 H ARG A 13 4.146 -3.543 -0.855 1.00 0.00 H new ATOM 0 HA ARG A 13 3.220 -4.998 1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.461 -3.009 2.679 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.209 -3.081 2.586 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.164 -1.419 0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.419 -1.330 0.862 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.397 -0.666 3.076 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.552 0.507 2.086 1.00 0.00 H new ATOM 0 HE ARG A 13 1.618 -1.208 3.335 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.999 1.269 4.226 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.034 1.873 5.577 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.382 -0.418 5.070 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.989 0.919 6.053 1.00 0.00 H new ATOM 194 N CYS A 14 0.865 -4.480 0.707 1.00 0.00 N ATOM 195 CA CYS A 14 -0.405 -4.365 0.064 1.00 0.00 C ATOM 196 C CYS A 14 -1.276 -3.429 0.846 1.00 0.00 C ATOM 197 O CYS A 14 -1.567 -3.663 2.013 1.00 0.00 O ATOM 198 CB CYS A 14 -1.063 -5.725 -0.144 1.00 0.00 C ATOM 199 SG CYS A 14 -0.066 -6.885 -1.158 1.00 0.00 S ATOM 0 H CYS A 14 0.866 -5.008 1.579 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.258 -3.950 -0.933 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.253 -6.179 0.829 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.032 -5.580 -0.622 1.00 0.00 H new ATOM 204 N ILE A 15 -1.661 -2.358 0.221 1.00 0.00 N ATOM 205 CA ILE A 15 -2.427 -1.340 0.883 1.00 0.00 C ATOM 206 C ILE A 15 -3.878 -1.455 0.452 1.00 0.00 C ATOM 207 O ILE A 15 -4.174 -1.833 -0.688 1.00 0.00 O ATOM 208 CB ILE A 15 -1.850 0.090 0.590 1.00 0.00 C ATOM 209 CG1 ILE A 15 -2.616 1.179 1.372 1.00 0.00 C ATOM 210 CG2 ILE A 15 -1.847 0.388 -0.913 1.00 0.00 C ATOM 211 CD1 ILE A 15 -2.063 2.581 1.199 1.00 0.00 C ATOM 0 H ILE A 15 -1.455 -2.163 -0.759 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.364 -1.486 1.961 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.816 0.104 0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.659 1.171 1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.603 0.925 2.432 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.442 1.385 -1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.230 -0.348 -1.429 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.866 0.339 -1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.660 3.282 1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.030 2.610 1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.101 2.860 0.146 1.00 0.00 H new ATOM 223 N CYS A 16 -4.772 -1.194 1.336 1.00 0.00 N ATOM 224 CA CYS A 16 -6.150 -1.290 1.002 1.00 0.00 C ATOM 225 C CYS A 16 -6.808 0.056 1.124 1.00 0.00 C ATOM 226 O CYS A 16 -6.308 0.941 1.819 1.00 0.00 O ATOM 227 CB CYS A 16 -6.852 -2.339 1.864 1.00 0.00 C ATOM 228 SG CYS A 16 -6.057 -3.989 1.834 1.00 0.00 S ATOM 0 H CYS A 16 -4.576 -0.912 2.297 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.236 -1.616 -0.035 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.886 -1.983 2.894 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.884 -2.439 1.527 1.00 0.00 H new ATOM 233 N THR A 17 -7.873 0.251 0.400 1.00 0.00 N ATOM 234 CA THR A 17 -8.607 1.489 0.476 1.00 0.00 C ATOM 235 C THR A 17 -10.080 1.173 0.345 1.00 0.00 C ATOM 236 O THR A 17 -10.477 0.439 -0.573 1.00 0.00 O ATOM 237 CB THR A 17 -8.179 2.461 -0.633 1.00 0.00 C ATOM 238 OG1 THR A 17 -6.742 2.576 -0.634 1.00 0.00 O ATOM 239 CG2 THR A 17 -8.780 3.847 -0.424 1.00 0.00 C ATOM 0 H THR A 17 -8.256 -0.432 -0.253 1.00 0.00 H new ATOM 0 HA THR A 17 -8.401 1.971 1.431 1.00 0.00 H new ATOM 0 HB THR A 17 -8.538 2.067 -1.584 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.464 3.194 -1.341 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.456 4.509 -1.227 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.868 3.776 -0.428 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.446 4.248 0.533 1.00 0.00 H new ATOM 247 N ARG A 18 -10.862 1.675 1.293 1.00 0.00 N ATOM 248 CA ARG A 18 -12.320 1.456 1.440 1.00 0.00 C ATOM 249 C ARG A 18 -12.690 0.004 1.765 1.00 0.00 C ATOM 250 O ARG A 18 -13.499 -0.268 2.646 1.00 0.00 O ATOM 251 CB ARG A 18 -13.112 1.974 0.242 1.00 0.00 C ATOM 252 CG ARG A 18 -13.004 3.471 0.023 1.00 0.00 C ATOM 253 CD ARG A 18 -13.873 3.918 -1.131 1.00 0.00 C ATOM 254 NE ARG A 18 -13.820 5.372 -1.328 1.00 0.00 N ATOM 255 CZ ARG A 18 -14.887 6.167 -1.502 1.00 0.00 C ATOM 256 NH1 ARG A 18 -16.118 5.681 -1.354 1.00 0.00 N ATOM 257 NH2 ARG A 18 -14.722 7.456 -1.769 1.00 0.00 N ATOM 0 H ARG A 18 -10.489 2.280 2.025 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.609 2.050 2.307 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.767 1.461 -0.656 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.162 1.713 0.375 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.301 3.996 0.931 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.966 3.738 -0.175 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.550 3.416 -2.043 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.904 3.614 -0.948 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.900 5.812 -1.333 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.253 4.701 -1.107 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.926 6.289 -1.487 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.782 7.845 -1.843 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.535 8.058 -1.901 1.00 0.00 H new TER 271 ARG A 18