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 H2 : A 1 GLY N : A 18 ARG C :(NH2R) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -1.4 (180deg=-1.4) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.394 -1.577 0.609 1.00 0.00 N ATOM 2 CA GLY A 1 -12.390 -3.004 0.413 1.00 0.00 C ATOM 3 C GLY A 1 -11.513 -3.417 -0.765 1.00 0.00 C ATOM 4 O GLY A 1 -11.312 -4.606 -1.009 1.00 0.00 O ATOM 0 H3 GLY A 1 -13.002 -1.340 1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.033 -3.493 1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.410 -3.350 0.244 1.00 0.00 H new ATOM 8 N ASP A 2 -10.973 -2.438 -1.490 1.00 0.00 N ATOM 9 CA ASP A 2 -10.112 -2.694 -2.619 1.00 0.00 C ATOM 10 C ASP A 2 -8.709 -2.732 -2.117 1.00 0.00 C ATOM 11 O ASP A 2 -8.195 -1.720 -1.635 1.00 0.00 O ATOM 12 CB ASP A 2 -10.203 -1.572 -3.678 1.00 0.00 C ATOM 13 CG ASP A 2 -11.553 -1.420 -4.335 1.00 0.00 C ATOM 14 OD1 ASP A 2 -11.798 -2.051 -5.380 1.00 0.00 O ATOM 15 OD2 ASP A 2 -12.376 -0.627 -3.856 1.00 0.00 O ATOM 0 H ASP A 2 -11.127 -1.447 -1.302 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.417 -3.632 -3.083 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.937 -0.626 -3.206 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.459 -1.763 -4.452 1.00 0.00 H new ATOM 20 N CYS A 3 -8.097 -3.863 -2.163 1.00 0.00 N ATOM 21 CA CYS A 3 -6.738 -3.944 -1.725 1.00 0.00 C ATOM 22 C CYS A 3 -5.810 -3.910 -2.889 1.00 0.00 C ATOM 23 O CYS A 3 -6.041 -4.564 -3.904 1.00 0.00 O ATOM 24 CB CYS A 3 -6.470 -5.148 -0.850 1.00 0.00 C ATOM 25 SG CYS A 3 -7.369 -5.127 0.734 1.00 0.00 S ATOM 0 H CYS A 3 -8.504 -4.738 -2.494 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.555 -3.068 -1.102 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.741 -6.050 -1.398 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.400 -5.207 -0.648 1.00 0.00 H new ATOM 30 N ARG A 4 -4.793 -3.132 -2.754 1.00 0.00 N ATOM 31 CA ARG A 4 -3.803 -2.966 -3.795 1.00 0.00 C ATOM 32 C ARG A 4 -2.423 -3.015 -3.183 1.00 0.00 C ATOM 33 O ARG A 4 -2.202 -2.473 -2.101 1.00 0.00 O ATOM 34 CB ARG A 4 -4.035 -1.637 -4.528 1.00 0.00 C ATOM 35 CG ARG A 4 -3.110 -1.388 -5.705 1.00 0.00 C ATOM 36 CD ARG A 4 -3.553 -0.172 -6.491 1.00 0.00 C ATOM 37 NE ARG A 4 -4.900 -0.364 -7.062 1.00 0.00 N ATOM 38 CZ ARG A 4 -5.675 0.608 -7.573 1.00 0.00 C ATOM 39 NH1 ARG A 4 -5.263 1.876 -7.575 1.00 0.00 N ATOM 40 NH2 ARG A 4 -6.863 0.304 -8.079 1.00 0.00 N ATOM 0 H ARG A 4 -4.611 -2.582 -1.915 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.891 -3.773 -4.522 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.066 -1.609 -4.882 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.920 -0.820 -3.815 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.090 -1.244 -5.348 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.099 -2.263 -6.356 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.552 0.703 -5.842 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.841 0.025 -7.292 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.274 -1.313 -7.070 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.351 2.117 -7.186 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.860 2.605 -7.965 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.185 -0.664 -8.079 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -7.455 1.038 -8.468 1.00 0.00 H new ATOM 54 N CYS A 5 -1.512 -3.676 -3.822 1.00 0.00 N ATOM 55 CA CYS A 5 -0.192 -3.768 -3.284 1.00 0.00 C ATOM 56 C CYS A 5 0.789 -2.972 -4.103 1.00 0.00 C ATOM 57 O CYS A 5 0.732 -2.963 -5.343 1.00 0.00 O ATOM 58 CB CYS A 5 0.242 -5.209 -3.121 1.00 0.00 C ATOM 59 SG CYS A 5 -0.882 -6.207 -2.074 1.00 0.00 S ATOM 0 H CYS A 5 -1.655 -4.157 -4.710 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.209 -3.328 -2.287 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.312 -5.671 -4.106 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.242 -5.231 -2.687 1.00 0.00 H new ATOM 64 N LEU A 6 1.663 -2.286 -3.422 1.00 0.00 N ATOM 65 CA LEU A 6 2.637 -1.438 -4.069 1.00 0.00 C ATOM 66 C LEU A 6 4.001 -1.675 -3.456 1.00 0.00 C ATOM 67 O LEU A 6 4.113 -1.956 -2.267 1.00 0.00 O ATOM 68 CB LEU A 6 2.236 0.040 -3.917 1.00 0.00 C ATOM 69 CG LEU A 6 3.135 1.061 -4.625 1.00 0.00 C ATOM 70 CD1 LEU A 6 3.107 0.854 -6.132 1.00 0.00 C ATOM 71 CD2 LEU A 6 2.723 2.480 -4.265 1.00 0.00 C ATOM 0 H LEU A 6 1.724 -2.295 -2.404 1.00 0.00 H new ATOM 0 HA LEU A 6 2.675 -1.680 -5.131 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.220 0.160 -4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.214 0.282 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 6 4.159 0.908 -4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.752 1.590 -6.612 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.462 -0.149 -6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.087 0.973 -6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.373 3.189 -4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.690 2.648 -4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.810 2.622 -3.188 1.00 0.00 H new ATOM 83 N CYS A 7 5.019 -1.607 -4.249 1.00 0.00 N ATOM 84 CA CYS A 7 6.342 -1.782 -3.740 1.00 0.00 C ATOM 85 C CYS A 7 7.077 -0.452 -3.771 1.00 0.00 C ATOM 86 O CYS A 7 7.066 0.265 -4.790 1.00 0.00 O ATOM 87 CB CYS A 7 7.096 -2.870 -4.518 1.00 0.00 C ATOM 88 SG CYS A 7 6.178 -4.460 -4.681 1.00 0.00 S ATOM 0 H CYS A 7 4.962 -1.432 -5.252 1.00 0.00 H new ATOM 0 HA CYS A 7 6.285 -2.120 -2.705 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.327 -2.494 -5.515 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.047 -3.062 -4.021 1.00 0.00 H new ATOM 93 N ARG A 8 7.660 -0.096 -2.659 1.00 0.00 N ATOM 94 CA ARG A 8 8.394 1.127 -2.547 1.00 0.00 C ATOM 95 C ARG A 8 9.716 0.864 -1.842 1.00 0.00 C ATOM 96 O ARG A 8 9.747 0.245 -0.783 1.00 0.00 O ATOM 97 CB ARG A 8 7.565 2.195 -1.811 1.00 0.00 C ATOM 98 CG ARG A 8 8.261 3.539 -1.717 1.00 0.00 C ATOM 99 CD ARG A 8 7.371 4.602 -1.107 1.00 0.00 C ATOM 100 NE ARG A 8 8.060 5.900 -1.034 1.00 0.00 N ATOM 101 CZ ARG A 8 7.593 6.991 -0.400 1.00 0.00 C ATOM 102 NH1 ARG A 8 6.379 6.984 0.152 1.00 0.00 N ATOM 103 NH2 ARG A 8 8.337 8.090 -0.340 1.00 0.00 N ATOM 0 H ARG A 8 7.637 -0.651 -1.803 1.00 0.00 H new ATOM 0 HA ARG A 8 8.605 1.513 -3.544 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.612 2.323 -2.325 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.339 1.840 -0.805 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.166 3.437 -1.117 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.572 3.856 -2.712 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.463 4.703 -1.701 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.066 4.293 -0.107 1.00 0.00 H new ATOM 0 HE ARG A 8 8.963 5.979 -1.501 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.798 6.148 0.095 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.032 7.815 0.631 1.00 0.00 H new ATOM 0 HH21 ARG A 8 9.260 8.105 -0.774 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.985 8.918 0.140 1.00 0.00 H new ATOM 117 N ARG A 9 10.808 1.275 -2.489 1.00 0.00 N ATOM 118 CA ARG A 9 12.204 1.122 -1.994 1.00 0.00 C ATOM 119 C ARG A 9 12.645 -0.342 -1.963 1.00 0.00 C ATOM 120 O ARG A 9 13.732 -0.662 -1.495 1.00 0.00 O ATOM 121 CB ARG A 9 12.404 1.748 -0.602 1.00 0.00 C ATOM 122 CG ARG A 9 12.127 3.241 -0.519 1.00 0.00 C ATOM 123 CD ARG A 9 12.211 3.725 0.921 1.00 0.00 C ATOM 124 NE ARG A 9 11.340 2.929 1.803 1.00 0.00 N ATOM 125 CZ ARG A 9 10.398 3.397 2.633 1.00 0.00 C ATOM 126 NH1 ARG A 9 10.155 4.706 2.729 1.00 0.00 N ATOM 127 NH2 ARG A 9 9.703 2.545 3.365 1.00 0.00 N ATOM 0 H ARG A 9 10.760 1.737 -3.397 1.00 0.00 H new ATOM 0 HA ARG A 9 12.829 1.661 -2.706 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.755 1.234 0.107 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.431 1.567 -0.283 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.846 3.784 -1.133 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.137 3.455 -0.923 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.242 3.661 1.269 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.922 4.775 0.972 1.00 0.00 H new ATOM 0 HE ARG A 9 11.467 1.917 1.779 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.690 5.367 2.165 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.434 5.046 3.366 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.886 1.544 3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.983 2.888 4.001 1.00 0.00 H new ATOM 141 N GLY A 10 11.828 -1.214 -2.483 1.00 0.00 N ATOM 142 CA GLY A 10 12.135 -2.617 -2.438 1.00 0.00 C ATOM 143 C GLY A 10 11.252 -3.353 -1.465 1.00 0.00 C ATOM 144 O GLY A 10 11.344 -4.573 -1.323 1.00 0.00 O ATOM 0 H GLY A 10 10.947 -0.980 -2.942 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.017 -3.047 -3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.179 -2.752 -2.155 1.00 0.00 H new ATOM 148 N ASP A 11 10.405 -2.627 -0.783 1.00 0.00 N ATOM 149 CA ASP A 11 9.487 -3.229 0.158 1.00 0.00 C ATOM 150 C ASP A 11 8.111 -3.255 -0.437 1.00 0.00 C ATOM 151 O ASP A 11 7.598 -2.212 -0.868 1.00 0.00 O ATOM 152 CB ASP A 11 9.464 -2.464 1.488 1.00 0.00 C ATOM 153 CG ASP A 11 8.496 -3.066 2.504 1.00 0.00 C ATOM 154 OD1 ASP A 11 8.774 -4.164 3.027 1.00 0.00 O ATOM 155 OD2 ASP A 11 7.448 -2.451 2.818 1.00 0.00 O ATOM 0 H ASP A 11 10.329 -1.613 -0.860 1.00 0.00 H new ATOM 0 HA ASP A 11 9.824 -4.245 0.363 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.468 -2.453 1.912 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.187 -1.427 1.300 1.00 0.00 H new ATOM 160 N CYS A 12 7.526 -4.414 -0.520 1.00 0.00 N ATOM 161 CA CYS A 12 6.190 -4.504 -1.010 1.00 0.00 C ATOM 162 C CYS A 12 5.248 -4.473 0.120 1.00 0.00 C ATOM 163 O CYS A 12 5.307 -5.289 1.044 1.00 0.00 O ATOM 164 CB CYS A 12 5.956 -5.683 -1.899 1.00 0.00 C ATOM 165 SG CYS A 12 7.061 -5.734 -3.360 1.00 0.00 S ATOM 0 H CYS A 12 7.953 -5.302 -0.256 1.00 0.00 H new ATOM 0 HA CYS A 12 6.017 -3.636 -1.647 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.092 -6.596 -1.320 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.920 -5.671 -2.238 1.00 0.00 H new ATOM 170 N ARG A 13 4.405 -3.535 0.056 1.00 0.00 N ATOM 171 CA ARG A 13 3.500 -3.248 1.118 1.00 0.00 C ATOM 172 C ARG A 13 2.111 -3.073 0.529 1.00 0.00 C ATOM 173 O ARG A 13 1.953 -2.506 -0.559 1.00 0.00 O ATOM 174 CB ARG A 13 3.994 -1.971 1.817 1.00 0.00 C ATOM 175 CG ARG A 13 3.440 -1.718 3.204 1.00 0.00 C ATOM 176 CD ARG A 13 3.685 -2.910 4.129 1.00 0.00 C ATOM 177 NE ARG A 13 5.067 -3.436 4.069 1.00 0.00 N ATOM 178 CZ ARG A 13 5.463 -4.572 4.658 1.00 0.00 C ATOM 179 NH1 ARG A 13 4.648 -5.212 5.499 1.00 0.00 N ATOM 180 NH2 ARG A 13 6.680 -5.055 4.435 1.00 0.00 N ATOM 0 H ARG A 13 4.308 -2.918 -0.751 1.00 0.00 H new ATOM 0 HA ARG A 13 3.454 -4.053 1.852 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.081 -2.014 1.884 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.747 -1.117 1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.905 -0.827 3.626 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.370 -1.520 3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.462 -2.615 5.154 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.990 -3.709 3.869 1.00 0.00 H new ATOM 0 HE ARG A 13 5.761 -2.901 3.547 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.720 -4.836 5.695 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.953 -6.077 5.946 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.319 -4.560 3.812 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.976 -5.921 4.886 1.00 0.00 H new ATOM 194 N CYS A 14 1.119 -3.574 1.187 1.00 0.00 N ATOM 195 CA CYS A 14 -0.203 -3.490 0.643 1.00 0.00 C ATOM 196 C CYS A 14 -1.036 -2.438 1.338 1.00 0.00 C ATOM 197 O CYS A 14 -0.910 -2.228 2.550 1.00 0.00 O ATOM 198 CB CYS A 14 -0.898 -4.846 0.661 1.00 0.00 C ATOM 199 SG CYS A 14 0.000 -6.158 -0.250 1.00 0.00 S ATOM 0 H CYS A 14 1.192 -4.041 2.091 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.100 -3.182 -0.397 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.029 -5.162 1.696 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.894 -4.738 0.232 1.00 0.00 H new ATOM 204 N ILE A 15 -1.863 -1.770 0.567 1.00 0.00 N ATOM 205 CA ILE A 15 -2.750 -0.754 1.059 1.00 0.00 C ATOM 206 C ILE A 15 -4.177 -1.128 0.658 1.00 0.00 C ATOM 207 O ILE A 15 -4.423 -1.578 -0.467 1.00 0.00 O ATOM 208 CB ILE A 15 -2.354 0.673 0.509 1.00 0.00 C ATOM 209 CG1 ILE A 15 -3.287 1.782 1.031 1.00 0.00 C ATOM 210 CG2 ILE A 15 -2.285 0.704 -1.017 1.00 0.00 C ATOM 211 CD1 ILE A 15 -3.218 1.998 2.529 1.00 0.00 C ATOM 0 H ILE A 15 -1.935 -1.925 -0.439 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.676 -0.698 2.145 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.354 0.874 0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.038 2.717 0.529 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.313 1.536 0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.009 1.705 -1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.538 -0.011 -1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.258 0.440 -1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.905 2.795 2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.497 1.078 3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.202 2.277 2.810 1.00 0.00 H new ATOM 223 N CYS A 16 -5.089 -1.020 1.569 1.00 0.00 N ATOM 224 CA CYS A 16 -6.456 -1.332 1.272 1.00 0.00 C ATOM 225 C CYS A 16 -7.308 -0.093 1.403 1.00 0.00 C ATOM 226 O CYS A 16 -7.106 0.724 2.318 1.00 0.00 O ATOM 227 CB CYS A 16 -6.989 -2.461 2.163 1.00 0.00 C ATOM 228 SG CYS A 16 -6.138 -4.067 1.962 1.00 0.00 S ATOM 0 H CYS A 16 -4.915 -0.718 2.528 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.505 -1.688 0.243 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.908 -2.151 3.205 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.050 -2.600 1.953 1.00 0.00 H new ATOM 233 N THR A 17 -8.206 0.087 0.473 1.00 0.00 N ATOM 234 CA THR A 17 -9.086 1.226 0.478 1.00 0.00 C ATOM 235 C THR A 17 -10.519 0.741 0.359 1.00 0.00 C ATOM 236 O THR A 17 -10.914 0.211 -0.689 1.00 0.00 O ATOM 237 CB THR A 17 -8.790 2.099 -0.716 1.00 0.00 C ATOM 238 OG1 THR A 17 -7.363 2.202 -0.873 1.00 0.00 O ATOM 239 CG2 THR A 17 -9.374 3.492 -0.534 1.00 0.00 C ATOM 0 H THR A 17 -8.349 -0.551 -0.310 1.00 0.00 H new ATOM 0 HA THR A 17 -8.942 1.788 1.401 1.00 0.00 H new ATOM 0 HB THR A 17 -9.243 1.649 -1.599 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.159 2.766 -1.648 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.145 4.100 -1.410 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.455 3.421 -0.414 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.941 3.955 0.352 1.00 0.00 H new ATOM 247 N ARG A 18 -11.261 0.904 1.438 1.00 0.00 N ATOM 248 CA ARG A 18 -12.670 0.505 1.627 1.00 0.00 C ATOM 249 C ARG A 18 -12.772 -1.009 1.679 1.00 0.00 C ATOM 250 O ARG A 18 -13.135 -1.609 2.687 1.00 0.00 O ATOM 251 CB ARG A 18 -13.552 1.053 0.509 1.00 0.00 C ATOM 252 CG ARG A 18 -13.487 2.557 0.325 1.00 0.00 C ATOM 253 CD ARG A 18 -14.095 2.953 -1.010 1.00 0.00 C ATOM 254 NE ARG A 18 -13.439 2.236 -2.119 1.00 0.00 N ATOM 255 CZ ARG A 18 -12.654 2.781 -3.055 1.00 0.00 C ATOM 256 NH1 ARG A 18 -12.367 4.073 -3.029 1.00 0.00 N ATOM 257 NH2 ARG A 18 -12.136 2.016 -4.000 1.00 0.00 N ATOM 0 H ARG A 18 -10.881 1.349 2.273 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.022 0.924 2.569 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.266 0.574 -0.428 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.585 0.770 0.709 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.020 3.053 1.136 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.451 2.891 0.374 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.162 2.731 -1.009 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.993 4.028 -1.156 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.599 1.230 -2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.746 4.665 -2.290 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.767 4.477 -3.748 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.336 1.016 -4.013 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.537 2.426 -4.716 1.00 0.00 H new TER 271 ARG A 18