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= -0.383 (180deg=-0.383) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.962 -2.605 0.910 1.00 0.00 N ATOM 2 CA GLY A 1 -12.096 -3.916 0.328 1.00 0.00 C ATOM 3 C GLY A 1 -11.153 -4.148 -0.830 1.00 0.00 C ATOM 4 O GLY A 1 -10.929 -5.293 -1.234 1.00 0.00 O ATOM 0 H2 GLY A 1 -12.633 -2.505 1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.912 -4.668 1.095 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.122 -4.053 -0.013 1.00 0.00 H new ATOM 8 N ASP A 2 -10.588 -3.087 -1.363 1.00 0.00 N ATOM 9 CA ASP A 2 -9.684 -3.212 -2.494 1.00 0.00 C ATOM 10 C ASP A 2 -8.270 -3.084 -2.025 1.00 0.00 C ATOM 11 O ASP A 2 -7.921 -2.110 -1.369 1.00 0.00 O ATOM 12 CB ASP A 2 -9.967 -2.145 -3.566 1.00 0.00 C ATOM 13 CG ASP A 2 -9.030 -2.250 -4.764 1.00 0.00 C ATOM 14 OD1 ASP A 2 -9.231 -3.146 -5.615 1.00 0.00 O ATOM 15 OD2 ASP A 2 -8.104 -1.426 -4.911 1.00 0.00 O ATOM 0 H ASP A 2 -10.735 -2.132 -1.037 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.842 -4.193 -2.942 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.998 -2.243 -3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.871 -1.155 -3.121 1.00 0.00 H new ATOM 20 N CYS A 3 -7.460 -4.059 -2.296 1.00 0.00 N ATOM 21 CA CYS A 3 -6.087 -3.946 -1.929 1.00 0.00 C ATOM 22 C CYS A 3 -5.256 -3.593 -3.099 1.00 0.00 C ATOM 23 O CYS A 3 -5.145 -4.341 -4.077 1.00 0.00 O ATOM 24 CB CYS A 3 -5.530 -5.160 -1.242 1.00 0.00 C ATOM 25 SG CYS A 3 -6.227 -5.500 0.410 1.00 0.00 S ATOM 0 H CYS A 3 -7.721 -4.928 -2.762 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.050 -3.141 -1.195 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.701 -6.029 -1.878 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.451 -5.042 -1.147 1.00 0.00 H new ATOM 30 N ARG A 4 -4.669 -2.484 -2.984 1.00 0.00 N ATOM 31 CA ARG A 4 -3.829 -1.940 -4.002 1.00 0.00 C ATOM 32 C ARG A 4 -2.422 -1.886 -3.431 1.00 0.00 C ATOM 33 O ARG A 4 -2.119 -1.057 -2.570 1.00 0.00 O ATOM 34 CB ARG A 4 -4.335 -0.540 -4.366 1.00 0.00 C ATOM 35 CG ARG A 4 -3.849 0.002 -5.700 1.00 0.00 C ATOM 36 CD ARG A 4 -4.296 -0.890 -6.861 1.00 0.00 C ATOM 37 NE ARG A 4 -5.748 -1.192 -6.836 1.00 0.00 N ATOM 38 CZ ARG A 4 -6.475 -1.583 -7.894 1.00 0.00 C ATOM 39 NH1 ARG A 4 -5.958 -1.554 -9.118 1.00 0.00 N ATOM 40 NH2 ARG A 4 -7.727 -1.976 -7.722 1.00 0.00 N ATOM 0 H ARG A 4 -4.749 -1.892 -2.157 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.837 -2.545 -4.909 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.425 -0.557 -4.375 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.034 0.153 -3.580 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.233 1.012 -5.846 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.761 0.073 -5.691 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.049 -0.401 -7.803 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.736 -1.825 -6.830 1.00 0.00 H new ATOM 0 HE ARG A 4 -6.232 -1.095 -5.944 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.000 -1.232 -9.260 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -6.519 -1.853 -9.916 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.136 -1.981 -6.788 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -8.283 -2.274 -8.524 1.00 0.00 H new ATOM 54 N CYS A 5 -1.593 -2.789 -3.844 1.00 0.00 N ATOM 55 CA CYS A 5 -0.277 -2.880 -3.281 1.00 0.00 C ATOM 56 C CYS A 5 0.739 -2.099 -4.062 1.00 0.00 C ATOM 57 O CYS A 5 0.775 -2.145 -5.290 1.00 0.00 O ATOM 58 CB CYS A 5 0.148 -4.320 -3.064 1.00 0.00 C ATOM 59 SG CYS A 5 -1.044 -5.290 -2.060 1.00 0.00 S ATOM 0 H CYS A 5 -1.800 -3.476 -4.569 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.328 -2.413 -2.297 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.273 -4.804 -4.033 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.121 -4.334 -2.573 1.00 0.00 H new ATOM 64 N LEU A 6 1.536 -1.367 -3.337 1.00 0.00 N ATOM 65 CA LEU A 6 2.561 -0.509 -3.906 1.00 0.00 C ATOM 66 C LEU A 6 3.896 -0.877 -3.282 1.00 0.00 C ATOM 67 O LEU A 6 3.968 -1.149 -2.075 1.00 0.00 O ATOM 68 CB LEU A 6 2.227 0.961 -3.614 1.00 0.00 C ATOM 69 CG LEU A 6 0.877 1.474 -4.149 1.00 0.00 C ATOM 70 CD1 LEU A 6 0.631 2.890 -3.680 1.00 0.00 C ATOM 71 CD2 LEU A 6 0.837 1.413 -5.669 1.00 0.00 C ATOM 0 H LEU A 6 1.499 -1.342 -2.318 1.00 0.00 H new ATOM 0 HA LEU A 6 2.609 -0.644 -4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.245 1.108 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.019 1.581 -4.033 1.00 0.00 H new ATOM 0 HG LEU A 6 0.090 0.829 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.327 3.240 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.614 2.915 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.428 3.538 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.126 1.780 -6.023 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.635 2.033 -6.079 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.974 0.382 -5.996 1.00 0.00 H new ATOM 83 N CYS A 7 4.938 -0.895 -4.052 1.00 0.00 N ATOM 84 CA CYS A 7 6.214 -1.314 -3.522 1.00 0.00 C ATOM 85 C CYS A 7 7.237 -0.192 -3.571 1.00 0.00 C ATOM 86 O CYS A 7 7.223 0.646 -4.482 1.00 0.00 O ATOM 87 CB CYS A 7 6.723 -2.565 -4.240 1.00 0.00 C ATOM 88 SG CYS A 7 5.537 -3.964 -4.244 1.00 0.00 S ATOM 0 H CYS A 7 4.941 -0.630 -5.037 1.00 0.00 H new ATOM 0 HA CYS A 7 6.066 -1.569 -2.473 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.965 -2.306 -5.271 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.650 -2.890 -3.767 1.00 0.00 H new ATOM 93 N ARG A 8 8.094 -0.161 -2.596 1.00 0.00 N ATOM 94 CA ARG A 8 9.107 0.839 -2.486 1.00 0.00 C ATOM 95 C ARG A 8 10.421 0.140 -2.143 1.00 0.00 C ATOM 96 O ARG A 8 10.545 -0.450 -1.078 1.00 0.00 O ATOM 97 CB ARG A 8 8.720 1.796 -1.354 1.00 0.00 C ATOM 98 CG ARG A 8 9.546 3.083 -1.223 1.00 0.00 C ATOM 99 CD ARG A 8 9.163 4.139 -2.266 1.00 0.00 C ATOM 100 NE ARG A 8 9.567 3.793 -3.638 1.00 0.00 N ATOM 101 CZ ARG A 8 8.891 4.125 -4.750 1.00 0.00 C ATOM 102 NH1 ARG A 8 7.690 4.677 -4.673 1.00 0.00 N ATOM 103 NH2 ARG A 8 9.429 3.888 -5.939 1.00 0.00 N ATOM 0 H ARG A 8 8.107 -0.845 -1.840 1.00 0.00 H new ATOM 0 HA ARG A 8 9.214 1.398 -3.415 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.675 2.075 -1.488 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.787 1.252 -0.412 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.409 3.498 -0.224 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.604 2.843 -1.326 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.083 4.286 -2.241 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.620 5.090 -1.992 1.00 0.00 H new ATOM 0 HE ARG A 8 10.428 3.259 -3.754 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.268 4.855 -3.762 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.187 4.925 -5.525 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.351 3.456 -6.005 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.921 4.138 -6.788 1.00 0.00 H new ATOM 117 N ARG A 9 11.340 0.103 -3.100 1.00 0.00 N ATOM 118 CA ARG A 9 12.709 -0.442 -2.908 1.00 0.00 C ATOM 119 C ARG A 9 12.714 -1.920 -2.542 1.00 0.00 C ATOM 120 O ARG A 9 13.672 -2.433 -1.948 1.00 0.00 O ATOM 121 CB ARG A 9 13.466 0.347 -1.855 1.00 0.00 C ATOM 122 CG ARG A 9 13.670 1.790 -2.212 1.00 0.00 C ATOM 123 CD ARG A 9 14.376 2.513 -1.107 1.00 0.00 C ATOM 124 NE ARG A 9 14.617 3.910 -1.438 1.00 0.00 N ATOM 125 CZ ARG A 9 15.065 4.813 -0.571 1.00 0.00 C ATOM 126 NH1 ARG A 9 15.232 4.477 0.707 1.00 0.00 N ATOM 127 NH2 ARG A 9 15.313 6.054 -0.972 1.00 0.00 N ATOM 0 H ARG A 9 11.170 0.449 -4.044 1.00 0.00 H new ATOM 0 HA ARG A 9 13.211 -0.341 -3.871 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.924 0.289 -0.911 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.438 -0.119 -1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.251 1.864 -3.131 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.707 2.262 -2.405 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.781 2.454 -0.196 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.326 2.020 -0.900 1.00 0.00 H new ATOM 0 HE ARG A 9 14.431 4.215 -2.393 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.016 3.530 1.018 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.576 5.167 1.375 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.160 6.315 -1.946 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.657 6.746 -0.306 1.00 0.00 H new ATOM 141 N GLY A 10 11.663 -2.585 -2.872 1.00 0.00 N ATOM 142 CA GLY A 10 11.583 -3.980 -2.600 1.00 0.00 C ATOM 143 C GLY A 10 10.579 -4.307 -1.532 1.00 0.00 C ATOM 144 O GLY A 10 10.041 -5.416 -1.518 1.00 0.00 O ATOM 0 H GLY A 10 10.844 -2.186 -3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.319 -4.510 -3.515 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.564 -4.343 -2.294 1.00 0.00 H new ATOM 148 N ASP A 11 10.306 -3.373 -0.639 1.00 0.00 N ATOM 149 CA ASP A 11 9.342 -3.630 0.386 1.00 0.00 C ATOM 150 C ASP A 11 7.992 -3.205 -0.099 1.00 0.00 C ATOM 151 O ASP A 11 7.848 -2.138 -0.689 1.00 0.00 O ATOM 152 CB ASP A 11 9.709 -2.986 1.747 1.00 0.00 C ATOM 153 CG ASP A 11 9.857 -1.475 1.774 1.00 0.00 C ATOM 154 OD1 ASP A 11 8.847 -0.767 1.919 1.00 0.00 O ATOM 155 OD2 ASP A 11 11.010 -0.972 1.775 1.00 0.00 O ATOM 0 H ASP A 11 10.736 -2.448 -0.611 1.00 0.00 H new ATOM 0 HA ASP A 11 9.332 -4.702 0.584 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.944 -3.265 2.472 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.647 -3.425 2.088 1.00 0.00 H new ATOM 160 N CYS A 12 7.020 -4.052 0.065 1.00 0.00 N ATOM 161 CA CYS A 12 5.716 -3.741 -0.433 1.00 0.00 C ATOM 162 C CYS A 12 4.741 -3.431 0.660 1.00 0.00 C ATOM 163 O CYS A 12 4.669 -4.120 1.686 1.00 0.00 O ATOM 164 CB CYS A 12 5.174 -4.824 -1.347 1.00 0.00 C ATOM 165 SG CYS A 12 6.228 -5.202 -2.799 1.00 0.00 S ATOM 0 H CYS A 12 7.104 -4.954 0.534 1.00 0.00 H new ATOM 0 HA CYS A 12 5.837 -2.836 -1.028 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.039 -5.736 -0.766 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.188 -4.522 -1.700 1.00 0.00 H new ATOM 170 N ARG A 13 3.994 -2.411 0.424 1.00 0.00 N ATOM 171 CA ARG A 13 2.961 -1.957 1.323 1.00 0.00 C ATOM 172 C ARG A 13 1.653 -2.074 0.600 1.00 0.00 C ATOM 173 O ARG A 13 1.558 -1.736 -0.586 1.00 0.00 O ATOM 174 CB ARG A 13 3.185 -0.484 1.743 1.00 0.00 C ATOM 175 CG ARG A 13 2.094 0.095 2.647 1.00 0.00 C ATOM 176 CD ARG A 13 2.016 -0.642 3.969 1.00 0.00 C ATOM 177 NE ARG A 13 0.861 -0.223 4.776 1.00 0.00 N ATOM 178 CZ ARG A 13 0.477 -0.822 5.914 1.00 0.00 C ATOM 179 NH1 ARG A 13 1.142 -1.875 6.376 1.00 0.00 N ATOM 180 NH2 ARG A 13 -0.589 -0.381 6.571 1.00 0.00 N ATOM 0 H ARG A 13 4.077 -1.845 -0.420 1.00 0.00 H new ATOM 0 HA ARG A 13 2.974 -2.564 2.228 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.143 -0.409 2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.257 0.129 0.845 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.294 1.151 2.830 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.131 0.036 2.140 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.955 -1.714 3.781 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.932 -0.469 4.533 1.00 0.00 H new ATOM 0 HE ARG A 13 0.316 0.575 4.450 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.949 -2.233 5.865 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.845 -2.326 7.241 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.117 0.414 6.211 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.880 -0.837 7.436 1.00 0.00 H new ATOM 194 N CYS A 14 0.670 -2.557 1.252 1.00 0.00 N ATOM 195 CA CYS A 14 -0.591 -2.648 0.629 1.00 0.00 C ATOM 196 C CYS A 14 -1.525 -1.600 1.145 1.00 0.00 C ATOM 197 O CYS A 14 -1.669 -1.406 2.357 1.00 0.00 O ATOM 198 CB CYS A 14 -1.192 -4.040 0.716 1.00 0.00 C ATOM 199 SG CYS A 14 -0.249 -5.315 -0.190 1.00 0.00 S ATOM 0 H CYS A 14 0.711 -2.895 2.214 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.433 -2.458 -0.433 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.260 -4.330 1.764 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.210 -4.010 0.326 1.00 0.00 H new ATOM 204 N ILE A 15 -2.147 -0.920 0.234 1.00 0.00 N ATOM 205 CA ILE A 15 -3.100 0.075 0.557 1.00 0.00 C ATOM 206 C ILE A 15 -4.435 -0.575 0.348 1.00 0.00 C ATOM 207 O ILE A 15 -4.921 -0.702 -0.778 1.00 0.00 O ATOM 208 CB ILE A 15 -2.968 1.323 -0.375 1.00 0.00 C ATOM 209 CG1 ILE A 15 -1.539 1.919 -0.317 1.00 0.00 C ATOM 210 CG2 ILE A 15 -4.014 2.385 -0.033 1.00 0.00 C ATOM 211 CD1 ILE A 15 -1.099 2.392 1.061 1.00 0.00 C ATOM 0 H ILE A 15 -2.000 -1.048 -0.767 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.960 0.433 1.577 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.151 0.989 -1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.833 1.168 -0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.483 2.759 -1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.896 3.240 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.012 1.965 -0.156 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.880 2.708 0.999 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.087 2.793 1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.777 3.169 1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.117 1.553 1.757 1.00 0.00 H new ATOM 223 N CYS A 16 -4.972 -1.091 1.401 1.00 0.00 N ATOM 224 CA CYS A 16 -6.234 -1.740 1.323 1.00 0.00 C ATOM 225 C CYS A 16 -7.288 -0.792 1.727 1.00 0.00 C ATOM 226 O CYS A 16 -7.334 -0.341 2.870 1.00 0.00 O ATOM 227 CB CYS A 16 -6.278 -3.012 2.152 1.00 0.00 C ATOM 228 SG CYS A 16 -5.112 -4.316 1.627 1.00 0.00 S ATOM 0 H CYS A 16 -4.553 -1.075 2.331 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.404 -2.049 0.292 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.071 -2.758 3.192 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.290 -3.415 2.118 1.00 0.00 H new ATOM 233 N THR A 17 -8.102 -0.448 0.797 1.00 0.00 N ATOM 234 CA THR A 17 -9.101 0.507 1.028 1.00 0.00 C ATOM 235 C THR A 17 -10.466 0.007 0.647 1.00 0.00 C ATOM 236 O THR A 17 -10.724 -0.382 -0.499 1.00 0.00 O ATOM 237 CB THR A 17 -8.766 1.847 0.361 1.00 0.00 C ATOM 238 OG1 THR A 17 -9.808 2.810 0.568 1.00 0.00 O ATOM 239 CG2 THR A 17 -8.451 1.706 -1.126 1.00 0.00 C ATOM 0 H THR A 17 -8.087 -0.829 -0.149 1.00 0.00 H new ATOM 0 HA THR A 17 -9.130 0.684 2.103 1.00 0.00 H new ATOM 0 HB THR A 17 -7.859 2.208 0.846 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.565 3.654 0.133 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.222 2.686 -1.544 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.593 1.047 -1.255 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.313 1.284 -1.642 1.00 0.00 H new ATOM 247 N ARG A 18 -11.302 -0.049 1.664 1.00 0.00 N ATOM 248 CA ARG A 18 -12.727 -0.405 1.583 1.00 0.00 C ATOM 249 C ARG A 18 -12.973 -1.779 0.933 1.00 0.00 C ATOM 250 O ARG A 18 -14.080 -2.066 0.453 1.00 0.00 O ATOM 251 CB ARG A 18 -13.481 0.671 0.824 1.00 0.00 C ATOM 252 CG ARG A 18 -13.313 2.070 1.387 1.00 0.00 C ATOM 253 CD ARG A 18 -14.039 3.097 0.541 1.00 0.00 C ATOM 254 NE ARG A 18 -13.607 3.073 -0.868 1.00 0.00 N ATOM 255 CZ ARG A 18 -13.069 4.110 -1.523 1.00 0.00 C ATOM 256 NH1 ARG A 18 -12.723 5.217 -0.870 1.00 0.00 N ATOM 257 NH2 ARG A 18 -12.832 4.020 -2.822 1.00 0.00 N ATOM 0 H ARG A 18 -11.005 0.160 2.617 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.095 -0.474 2.607 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.148 0.668 -0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.542 0.419 0.819 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.695 2.101 2.407 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.253 2.320 1.435 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.112 2.912 0.592 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.867 4.091 0.954 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.727 2.201 -1.383 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.867 5.281 0.138 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.314 6.002 -1.377 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.059 3.161 -3.324 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.422 4.809 -3.322 1.00 0.00 H new TER 271 ARG A 18