USER MOD reduce.3.24.130724 H: found=0, std=0, add=137, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 137 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= -0.589 (180deg=-0.589) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.365 -0.967 2.068 1.00 0.00 N ATOM 2 CA GLY A 1 -12.510 -2.395 2.099 1.00 0.00 C ATOM 3 C GLY A 1 -11.815 -3.064 0.936 1.00 0.00 C ATOM 4 O GLY A 1 -11.762 -4.297 0.850 1.00 0.00 O ATOM 0 H2 GLY A 1 -12.857 -0.550 2.884 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.102 -2.780 3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.569 -2.651 2.084 1.00 0.00 H new ATOM 8 N ASP A 2 -11.266 -2.268 0.053 1.00 0.00 N ATOM 9 CA ASP A 2 -10.590 -2.767 -1.125 1.00 0.00 C ATOM 10 C ASP A 2 -9.130 -2.890 -0.820 1.00 0.00 C ATOM 11 O ASP A 2 -8.490 -1.914 -0.405 1.00 0.00 O ATOM 12 CB ASP A 2 -10.780 -1.809 -2.299 1.00 0.00 C ATOM 13 CG ASP A 2 -10.156 -2.311 -3.586 1.00 0.00 C ATOM 14 OD1 ASP A 2 -10.840 -3.019 -4.341 1.00 0.00 O ATOM 15 OD2 ASP A 2 -8.995 -1.967 -3.891 1.00 0.00 O ATOM 0 H ASP A 2 -11.274 -1.251 0.129 1.00 0.00 H new ATOM 0 HA ASP A 2 -11.008 -3.736 -1.396 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.846 -1.647 -2.459 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.345 -0.842 -2.045 1.00 0.00 H new ATOM 20 N CYS A 3 -8.600 -4.058 -0.964 1.00 0.00 N ATOM 21 CA CYS A 3 -7.216 -4.232 -0.683 1.00 0.00 C ATOM 22 C CYS A 3 -6.421 -4.172 -1.914 1.00 0.00 C ATOM 23 O CYS A 3 -6.723 -4.822 -2.912 1.00 0.00 O ATOM 24 CB CYS A 3 -6.935 -5.480 0.077 1.00 0.00 C ATOM 25 SG CYS A 3 -7.849 -5.585 1.652 1.00 0.00 S ATOM 0 H CYS A 3 -9.096 -4.895 -1.270 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.920 -3.404 -0.038 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.191 -6.340 -0.542 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.866 -5.541 0.280 1.00 0.00 H new ATOM 30 N ARG A 4 -5.428 -3.391 -1.837 1.00 0.00 N ATOM 31 CA ARG A 4 -4.536 -3.146 -2.946 1.00 0.00 C ATOM 32 C ARG A 4 -3.123 -3.066 -2.434 1.00 0.00 C ATOM 33 O ARG A 4 -2.899 -2.817 -1.243 1.00 0.00 O ATOM 34 CB ARG A 4 -4.944 -1.859 -3.675 1.00 0.00 C ATOM 35 CG ARG A 4 -4.973 -0.613 -2.799 1.00 0.00 C ATOM 36 CD ARG A 4 -5.611 0.551 -3.533 1.00 0.00 C ATOM 37 NE ARG A 4 -6.998 0.243 -3.910 1.00 0.00 N ATOM 38 CZ ARG A 4 -7.883 1.099 -4.417 1.00 0.00 C ATOM 39 NH1 ARG A 4 -7.557 2.367 -4.639 1.00 0.00 N ATOM 40 NH2 ARG A 4 -9.088 0.665 -4.711 1.00 0.00 N ATOM 0 H ARG A 4 -5.183 -2.878 -0.990 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.599 -3.964 -3.663 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.252 -1.690 -4.500 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -5.932 -2.003 -4.112 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.529 -0.820 -1.884 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.958 -0.349 -2.502 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.591 1.438 -2.900 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -5.031 0.783 -4.426 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.312 -0.717 -3.770 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -6.617 2.698 -4.421 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -8.246 3.010 -5.028 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -9.331 -0.312 -4.550 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -9.780 1.305 -5.100 1.00 0.00 H new ATOM 54 N CYS A 5 -2.179 -3.290 -3.278 1.00 0.00 N ATOM 55 CA CYS A 5 -0.829 -3.301 -2.833 1.00 0.00 C ATOM 56 C CYS A 5 -0.005 -2.249 -3.534 1.00 0.00 C ATOM 57 O CYS A 5 -0.266 -1.888 -4.689 1.00 0.00 O ATOM 58 CB CYS A 5 -0.220 -4.699 -2.958 1.00 0.00 C ATOM 59 SG CYS A 5 -1.218 -6.019 -2.153 1.00 0.00 S ATOM 0 H CYS A 5 -2.313 -3.467 -4.274 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.822 -3.044 -1.774 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.101 -4.940 -4.014 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.777 -4.691 -2.518 1.00 0.00 H new ATOM 64 N LEU A 6 0.957 -1.745 -2.823 1.00 0.00 N ATOM 65 CA LEU A 6 1.852 -0.729 -3.301 1.00 0.00 C ATOM 66 C LEU A 6 3.266 -1.152 -2.988 1.00 0.00 C ATOM 67 O LEU A 6 3.470 -2.059 -2.189 1.00 0.00 O ATOM 68 CB LEU A 6 1.490 0.649 -2.672 1.00 0.00 C ATOM 69 CG LEU A 6 1.298 0.740 -1.128 1.00 0.00 C ATOM 70 CD1 LEU A 6 2.604 0.579 -0.353 1.00 0.00 C ATOM 71 CD2 LEU A 6 0.625 2.049 -0.761 1.00 0.00 C ATOM 0 H LEU A 6 1.149 -2.037 -1.865 1.00 0.00 H new ATOM 0 HA LEU A 6 1.759 -0.611 -4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.273 1.355 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.568 0.994 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 6 0.659 -0.095 -0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.404 0.652 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.041 -0.395 -0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.300 1.365 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.496 2.101 0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.244 2.882 -1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.350 2.105 -1.246 1.00 0.00 H new ATOM 83 N CYS A 7 4.228 -0.540 -3.588 1.00 0.00 N ATOM 84 CA CYS A 7 5.584 -0.917 -3.312 1.00 0.00 C ATOM 85 C CYS A 7 6.404 0.306 -2.989 1.00 0.00 C ATOM 86 O CYS A 7 6.080 1.419 -3.426 1.00 0.00 O ATOM 87 CB CYS A 7 6.198 -1.717 -4.471 1.00 0.00 C ATOM 88 SG CYS A 7 5.138 -3.092 -5.114 1.00 0.00 S ATOM 0 H CYS A 7 4.112 0.214 -4.265 1.00 0.00 H new ATOM 0 HA CYS A 7 5.586 -1.574 -2.442 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.417 -1.032 -5.290 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.150 -2.134 -4.142 1.00 0.00 H new ATOM 93 N ARG A 8 7.428 0.105 -2.203 1.00 0.00 N ATOM 94 CA ARG A 8 8.320 1.152 -1.780 1.00 0.00 C ATOM 95 C ARG A 8 9.671 0.519 -1.475 1.00 0.00 C ATOM 96 O ARG A 8 9.738 -0.429 -0.693 1.00 0.00 O ATOM 97 CB ARG A 8 7.742 1.842 -0.528 1.00 0.00 C ATOM 98 CG ARG A 8 8.467 3.112 -0.101 1.00 0.00 C ATOM 99 CD ARG A 8 8.506 4.124 -1.236 1.00 0.00 C ATOM 100 NE ARG A 8 7.172 4.375 -1.811 1.00 0.00 N ATOM 101 CZ ARG A 8 6.942 4.668 -3.105 1.00 0.00 C ATOM 102 NH1 ARG A 8 7.957 4.810 -3.947 1.00 0.00 N ATOM 103 NH2 ARG A 8 5.695 4.820 -3.542 1.00 0.00 N ATOM 0 H ARG A 8 7.671 -0.813 -1.830 1.00 0.00 H new ATOM 0 HA ARG A 8 8.437 1.906 -2.558 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.696 2.084 -0.715 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.762 1.134 0.301 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.966 3.548 0.763 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.483 2.868 0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.923 5.062 -0.869 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.174 3.763 -2.018 1.00 0.00 H new ATOM 0 HE ARG A 8 6.368 4.323 -1.186 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.915 4.697 -3.615 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.780 5.032 -4.927 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.912 4.715 -2.897 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.522 5.042 -4.522 1.00 0.00 H new ATOM 117 N ARG A 9 10.720 0.994 -2.152 1.00 0.00 N ATOM 118 CA ARG A 9 12.098 0.474 -2.010 1.00 0.00 C ATOM 119 C ARG A 9 12.134 -1.036 -2.361 1.00 0.00 C ATOM 120 O ARG A 9 12.796 -1.861 -1.716 1.00 0.00 O ATOM 121 CB ARG A 9 12.689 0.776 -0.600 1.00 0.00 C ATOM 122 CG ARG A 9 14.174 0.429 -0.462 1.00 0.00 C ATOM 123 CD ARG A 9 14.728 0.776 0.905 1.00 0.00 C ATOM 124 NE ARG A 9 16.131 0.348 1.037 1.00 0.00 N ATOM 125 CZ ARG A 9 17.069 0.957 1.786 1.00 0.00 C ATOM 126 NH1 ARG A 9 16.765 2.038 2.491 1.00 0.00 N ATOM 127 NH2 ARG A 9 18.304 0.472 1.829 1.00 0.00 N ATOM 0 H ARG A 9 10.644 1.758 -2.823 1.00 0.00 H new ATOM 0 HA ARG A 9 12.741 0.995 -2.719 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.551 1.834 -0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.125 0.218 0.147 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.313 -0.636 -0.647 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.741 0.962 -1.226 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.657 1.852 1.067 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.125 0.297 1.677 1.00 0.00 H new ATOM 0 HE ARG A 9 16.416 -0.481 0.516 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.816 2.412 2.467 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.480 2.495 3.057 1.00 0.00 H new ATOM 0 HH21 ARG A 9 18.543 -0.363 1.294 1.00 0.00 H new ATOM 0 HH22 ARG A 9 19.014 0.934 2.397 1.00 0.00 H new ATOM 141 N GLY A 10 11.352 -1.382 -3.362 1.00 0.00 N ATOM 142 CA GLY A 10 11.267 -2.745 -3.834 1.00 0.00 C ATOM 143 C GLY A 10 10.418 -3.642 -2.944 1.00 0.00 C ATOM 144 O GLY A 10 10.209 -4.810 -3.255 1.00 0.00 O ATOM 0 H GLY A 10 10.759 -0.726 -3.870 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.851 -2.747 -4.842 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.272 -3.161 -3.903 1.00 0.00 H new ATOM 148 N VAL A 11 9.933 -3.113 -1.845 1.00 0.00 N ATOM 149 CA VAL A 11 9.140 -3.893 -0.933 1.00 0.00 C ATOM 150 C VAL A 11 7.689 -3.635 -1.230 1.00 0.00 C ATOM 151 O VAL A 11 7.255 -2.485 -1.234 1.00 0.00 O ATOM 152 CB VAL A 11 9.408 -3.513 0.543 1.00 0.00 C ATOM 153 CG1 VAL A 11 8.711 -4.479 1.474 1.00 0.00 C ATOM 154 CG2 VAL A 11 10.894 -3.453 0.848 1.00 0.00 C ATOM 0 H VAL A 11 10.076 -2.143 -1.563 1.00 0.00 H new ATOM 0 HA VAL A 11 9.403 -4.942 -1.067 1.00 0.00 H new ATOM 0 HB VAL A 11 9.001 -2.515 0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.911 -4.196 2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.637 -4.450 1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.082 -5.488 1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.040 -3.183 1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.344 -4.428 0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.366 -2.705 0.211 1.00 0.00 H new ATOM 164 N CYS A 12 6.951 -4.663 -1.499 1.00 0.00 N ATOM 165 CA CYS A 12 5.561 -4.502 -1.780 1.00 0.00 C ATOM 166 C CYS A 12 4.730 -4.820 -0.569 1.00 0.00 C ATOM 167 O CYS A 12 4.801 -5.911 -0.009 1.00 0.00 O ATOM 168 CB CYS A 12 5.141 -5.295 -2.991 1.00 0.00 C ATOM 169 SG CYS A 12 6.041 -4.824 -4.520 1.00 0.00 S ATOM 0 H CYS A 12 7.288 -5.625 -1.530 1.00 0.00 H new ATOM 0 HA CYS A 12 5.386 -3.455 -2.025 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.302 -6.355 -2.796 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.071 -5.160 -3.152 1.00 0.00 H new ATOM 174 N ARG A 13 3.952 -3.861 -0.179 1.00 0.00 N ATOM 175 CA ARG A 13 3.135 -3.923 1.012 1.00 0.00 C ATOM 176 C ARG A 13 1.706 -3.698 0.608 1.00 0.00 C ATOM 177 O ARG A 13 1.441 -3.109 -0.440 1.00 0.00 O ATOM 178 CB ARG A 13 3.578 -2.850 2.002 1.00 0.00 C ATOM 179 CG ARG A 13 5.030 -2.975 2.404 1.00 0.00 C ATOM 180 CD ARG A 13 5.481 -1.816 3.255 1.00 0.00 C ATOM 181 NE ARG A 13 6.920 -1.878 3.503 1.00 0.00 N ATOM 182 CZ ARG A 13 7.792 -0.907 3.210 1.00 0.00 C ATOM 183 NH1 ARG A 13 7.367 0.257 2.710 1.00 0.00 N ATOM 184 NH2 ARG A 13 9.090 -1.089 3.428 1.00 0.00 N ATOM 0 H ARG A 13 3.858 -2.983 -0.689 1.00 0.00 H new ATOM 0 HA ARG A 13 3.239 -4.895 1.494 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.413 -1.867 1.561 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.954 -2.908 2.894 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.176 -3.906 2.952 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.650 -3.031 1.510 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.234 -0.878 2.758 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.944 -1.826 4.203 1.00 0.00 H new ATOM 0 HE ARG A 13 7.288 -2.727 3.933 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.371 0.410 2.549 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.038 0.993 2.489 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.423 -1.970 3.819 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.754 -0.348 3.204 1.00 0.00 H new ATOM 198 N CYS A 14 0.796 -4.139 1.396 1.00 0.00 N ATOM 199 CA CYS A 14 -0.576 -4.034 1.031 1.00 0.00 C ATOM 200 C CYS A 14 -1.359 -3.173 1.999 1.00 0.00 C ATOM 201 O CYS A 14 -1.100 -3.175 3.213 1.00 0.00 O ATOM 202 CB CYS A 14 -1.181 -5.419 0.842 1.00 0.00 C ATOM 203 SG CYS A 14 -0.282 -6.430 -0.398 1.00 0.00 S ATOM 0 H CYS A 14 0.972 -4.577 2.300 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.637 -3.519 0.072 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.182 -5.943 1.798 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.221 -5.316 0.534 1.00 0.00 H new ATOM 208 N ILE A 15 -2.285 -2.425 1.456 1.00 0.00 N ATOM 209 CA ILE A 15 -3.112 -1.504 2.198 1.00 0.00 C ATOM 210 C ILE A 15 -4.562 -1.722 1.778 1.00 0.00 C ATOM 211 O ILE A 15 -4.836 -2.033 0.617 1.00 0.00 O ATOM 212 CB ILE A 15 -2.672 -0.012 1.917 1.00 0.00 C ATOM 213 CG1 ILE A 15 -3.579 1.024 2.622 1.00 0.00 C ATOM 214 CG2 ILE A 15 -2.599 0.284 0.421 1.00 0.00 C ATOM 215 CD1 ILE A 15 -3.547 0.965 4.131 1.00 0.00 C ATOM 0 H ILE A 15 -2.491 -2.439 0.457 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.002 -1.684 3.267 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.673 0.086 2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.282 2.023 2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.606 0.876 2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.293 1.319 0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.873 -0.381 -0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.579 0.125 -0.030 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.212 1.726 4.539 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.875 -0.020 4.464 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.531 1.146 4.481 1.00 0.00 H new ATOM 227 N CYS A 16 -5.465 -1.630 2.691 1.00 0.00 N ATOM 228 CA CYS A 16 -6.842 -1.769 2.340 1.00 0.00 C ATOM 229 C CYS A 16 -7.563 -0.456 2.589 1.00 0.00 C ATOM 230 O CYS A 16 -7.459 0.122 3.673 1.00 0.00 O ATOM 231 CB CYS A 16 -7.507 -2.914 3.122 1.00 0.00 C ATOM 232 SG CYS A 16 -6.678 -4.543 2.950 1.00 0.00 S ATOM 0 H CYS A 16 -5.281 -1.461 3.680 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.908 -2.020 1.281 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.536 -2.646 4.178 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.541 -3.011 2.790 1.00 0.00 H new ATOM 237 N THR A 17 -8.258 0.025 1.595 1.00 0.00 N ATOM 238 CA THR A 17 -9.016 1.220 1.724 1.00 0.00 C ATOM 239 C THR A 17 -10.378 1.015 1.138 1.00 0.00 C ATOM 240 O THR A 17 -10.523 0.434 0.064 1.00 0.00 O ATOM 241 CB THR A 17 -8.309 2.448 1.107 1.00 0.00 C ATOM 242 OG1 THR A 17 -9.124 3.633 1.217 1.00 0.00 O ATOM 243 CG2 THR A 17 -7.887 2.224 -0.345 1.00 0.00 C ATOM 0 H THR A 17 -8.309 -0.409 0.673 1.00 0.00 H new ATOM 0 HA THR A 17 -9.114 1.441 2.787 1.00 0.00 H new ATOM 0 HB THR A 17 -7.397 2.594 1.686 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.651 4.394 0.820 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.396 3.121 -0.724 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.196 1.382 -0.397 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.767 2.009 -0.951 1.00 0.00 H new ATOM 251 N ARG A 18 -11.373 1.421 1.903 1.00 0.00 N ATOM 252 CA ARG A 18 -12.807 1.294 1.551 1.00 0.00 C ATOM 253 C ARG A 18 -13.174 -0.187 1.444 1.00 0.00 C ATOM 254 O ARG A 18 -14.133 -0.591 0.793 1.00 0.00 O ATOM 255 CB ARG A 18 -13.082 2.035 0.250 1.00 0.00 C ATOM 256 CG ARG A 18 -14.557 2.241 -0.094 1.00 0.00 C ATOM 257 CD ARG A 18 -14.719 2.969 -1.418 1.00 0.00 C ATOM 258 NE ARG A 18 -14.130 2.231 -2.549 1.00 0.00 N ATOM 259 CZ ARG A 18 -13.743 2.787 -3.710 1.00 0.00 C ATOM 260 NH1 ARG A 18 -13.925 4.080 -3.922 1.00 0.00 N ATOM 261 NH2 ARG A 18 -13.196 2.040 -4.659 1.00 0.00 N ATOM 0 H ARG A 18 -11.222 1.861 2.811 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.426 1.742 2.328 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.599 3.011 0.300 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.610 1.487 -0.566 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.059 1.275 -0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.041 2.811 0.699 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.779 3.134 -1.610 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.251 3.951 -1.347 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.007 1.224 -2.443 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.360 4.658 -3.203 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.630 4.499 -4.804 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.067 1.039 -4.510 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.904 2.466 -5.538 1.00 0.00 H new TER 275 ARG A 18