USER MOD reduce.3.24.130724 H: found=0, std=0, add=144, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 144 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=-0.000512 (180deg=-0.000512) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.846 -3.045 0.592 1.00 0.00 N ATOM 2 CA GLY A 1 -11.645 -4.282 -0.124 1.00 0.00 C ATOM 3 C GLY A 1 -10.679 -4.157 -1.287 1.00 0.00 C ATOM 4 O GLY A 1 -10.123 -5.163 -1.748 1.00 0.00 O ATOM 0 H2 GLY A 1 -12.516 -3.200 1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.272 -5.037 0.568 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.606 -4.637 -0.496 1.00 0.00 H new ATOM 8 N VAL A 2 -10.458 -2.949 -1.763 1.00 0.00 N ATOM 9 CA VAL A 2 -9.546 -2.750 -2.867 1.00 0.00 C ATOM 10 C VAL A 2 -8.172 -2.423 -2.313 1.00 0.00 C ATOM 11 O VAL A 2 -7.957 -1.336 -1.737 1.00 0.00 O ATOM 12 CB VAL A 2 -10.014 -1.617 -3.820 1.00 0.00 C ATOM 13 CG1 VAL A 2 -9.081 -1.503 -5.025 1.00 0.00 C ATOM 14 CG2 VAL A 2 -11.449 -1.852 -4.277 1.00 0.00 C ATOM 0 H VAL A 2 -10.893 -2.098 -1.406 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.516 -3.669 -3.453 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.980 -0.677 -3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.428 -0.703 -5.679 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.070 -1.280 -4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.078 -2.445 -5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -11.755 -1.046 -4.944 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.511 -2.803 -4.805 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.108 -1.875 -3.409 1.00 0.00 H new ATOM 24 N CYS A 3 -7.267 -3.350 -2.452 1.00 0.00 N ATOM 25 CA CYS A 3 -5.938 -3.203 -1.920 1.00 0.00 C ATOM 26 C CYS A 3 -4.928 -2.848 -2.993 1.00 0.00 C ATOM 27 O CYS A 3 -4.994 -3.338 -4.129 1.00 0.00 O ATOM 28 CB CYS A 3 -5.500 -4.470 -1.180 1.00 0.00 C ATOM 29 SG CYS A 3 -6.517 -4.893 0.277 1.00 0.00 S ATOM 0 H CYS A 3 -7.429 -4.232 -2.938 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.972 -2.375 -1.212 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.522 -5.308 -1.877 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.465 -4.348 -0.861 1.00 0.00 H new ATOM 34 N ARG A 4 -4.025 -1.974 -2.639 1.00 0.00 N ATOM 35 CA ARG A 4 -2.926 -1.586 -3.493 1.00 0.00 C ATOM 36 C ARG A 4 -1.627 -1.650 -2.704 1.00 0.00 C ATOM 37 O ARG A 4 -1.533 -1.104 -1.604 1.00 0.00 O ATOM 38 CB ARG A 4 -3.129 -0.176 -4.072 1.00 0.00 C ATOM 39 CG ARG A 4 -3.408 0.886 -3.025 1.00 0.00 C ATOM 40 CD ARG A 4 -3.375 2.279 -3.599 1.00 0.00 C ATOM 41 NE ARG A 4 -3.791 3.261 -2.605 1.00 0.00 N ATOM 42 CZ ARG A 4 -3.250 4.461 -2.399 1.00 0.00 C ATOM 43 NH1 ARG A 4 -2.213 4.875 -3.125 1.00 0.00 N ATOM 44 NH2 ARG A 4 -3.770 5.257 -1.466 1.00 0.00 N ATOM 0 H ARG A 4 -4.029 -1.502 -1.735 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.882 -2.280 -4.332 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.239 0.107 -4.633 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.958 -0.201 -4.780 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.385 0.703 -2.577 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.671 0.807 -2.226 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.368 2.510 -3.945 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.031 2.334 -4.468 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.576 3.003 -2.007 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -1.824 4.271 -3.849 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -1.808 5.796 -2.957 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.573 4.945 -0.919 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.365 6.178 -1.298 1.00 0.00 H new ATOM 58 N CYS A 5 -0.666 -2.341 -3.213 1.00 0.00 N ATOM 59 CA CYS A 5 0.602 -2.434 -2.548 1.00 0.00 C ATOM 60 C CYS A 5 1.612 -1.517 -3.182 1.00 0.00 C ATOM 61 O CYS A 5 1.564 -1.256 -4.388 1.00 0.00 O ATOM 62 CB CYS A 5 1.105 -3.876 -2.493 1.00 0.00 C ATOM 63 SG CYS A 5 -0.030 -5.035 -1.624 1.00 0.00 S ATOM 0 H CYS A 5 -0.728 -2.855 -4.092 1.00 0.00 H new ATOM 0 HA CYS A 5 0.460 -2.107 -1.518 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.263 -4.234 -3.511 1.00 0.00 H new ATOM 0 HB3 CYS A 5 2.075 -3.893 -1.995 1.00 0.00 H new ATOM 68 N VAL A 6 2.456 -0.960 -2.356 1.00 0.00 N ATOM 69 CA VAL A 6 3.530 -0.087 -2.777 1.00 0.00 C ATOM 70 C VAL A 6 4.802 -0.560 -2.091 1.00 0.00 C ATOM 71 O VAL A 6 4.828 -0.716 -0.860 1.00 0.00 O ATOM 72 CB VAL A 6 3.258 1.402 -2.378 1.00 0.00 C ATOM 73 CG1 VAL A 6 4.387 2.316 -2.855 1.00 0.00 C ATOM 74 CG2 VAL A 6 1.918 1.887 -2.921 1.00 0.00 C ATOM 0 H VAL A 6 2.419 -1.101 -1.346 1.00 0.00 H new ATOM 0 HA VAL A 6 3.617 -0.127 -3.863 1.00 0.00 H new ATOM 0 HB VAL A 6 3.218 1.444 -1.290 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.171 3.344 -2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.327 2.000 -2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.470 2.256 -3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.760 2.924 -2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.919 1.815 -4.009 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.116 1.269 -2.517 1.00 0.00 H new ATOM 84 N CYS A 7 5.820 -0.835 -2.852 1.00 0.00 N ATOM 85 CA CYS A 7 7.064 -1.290 -2.286 1.00 0.00 C ATOM 86 C CYS A 7 8.120 -0.222 -2.342 1.00 0.00 C ATOM 87 O CYS A 7 8.251 0.493 -3.340 1.00 0.00 O ATOM 88 CB CYS A 7 7.553 -2.560 -2.968 1.00 0.00 C ATOM 89 SG CYS A 7 6.449 -3.995 -2.751 1.00 0.00 S ATOM 0 H CYS A 7 5.817 -0.753 -3.869 1.00 0.00 H new ATOM 0 HA CYS A 7 6.873 -1.519 -1.238 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.672 -2.365 -4.034 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.539 -2.812 -2.578 1.00 0.00 H new ATOM 94 N ARG A 8 8.840 -0.085 -1.261 1.00 0.00 N ATOM 95 CA ARG A 8 9.927 0.847 -1.175 1.00 0.00 C ATOM 96 C ARG A 8 11.087 0.224 -0.427 1.00 0.00 C ATOM 97 O ARG A 8 10.991 -0.052 0.768 1.00 0.00 O ATOM 98 CB ARG A 8 9.487 2.158 -0.525 1.00 0.00 C ATOM 99 CG ARG A 8 10.618 3.158 -0.330 1.00 0.00 C ATOM 100 CD ARG A 8 10.100 4.491 0.162 1.00 0.00 C ATOM 101 NE ARG A 8 9.304 4.374 1.382 1.00 0.00 N ATOM 102 CZ ARG A 8 8.400 5.266 1.774 1.00 0.00 C ATOM 103 NH1 ARG A 8 8.276 6.415 1.120 1.00 0.00 N ATOM 104 NH2 ARG A 8 7.662 5.028 2.841 1.00 0.00 N ATOM 0 H ARG A 8 8.685 -0.623 -0.408 1.00 0.00 H new ATOM 0 HA ARG A 8 10.256 1.086 -2.186 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.712 2.616 -1.140 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.037 1.939 0.443 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.338 2.760 0.385 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.148 3.298 -1.272 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.943 5.158 0.346 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.494 4.951 -0.619 1.00 0.00 H new ATOM 0 HE ARG A 8 9.452 3.554 1.971 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.874 6.612 0.318 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.583 7.100 1.420 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.786 4.161 3.364 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.968 5.711 3.144 1.00 0.00 H new ATOM 118 N ARG A 9 12.136 -0.067 -1.183 1.00 0.00 N ATOM 119 CA ARG A 9 13.410 -0.611 -0.703 1.00 0.00 C ATOM 120 C ARG A 9 13.219 -1.804 0.257 1.00 0.00 C ATOM 121 O ARG A 9 13.673 -1.792 1.409 1.00 0.00 O ATOM 122 CB ARG A 9 14.310 0.490 -0.112 1.00 0.00 C ATOM 123 CG ARG A 9 15.741 0.032 0.111 1.00 0.00 C ATOM 124 CD ARG A 9 16.630 1.131 0.658 1.00 0.00 C ATOM 125 NE ARG A 9 18.037 0.689 0.754 1.00 0.00 N ATOM 126 CZ ARG A 9 18.898 1.024 1.727 1.00 0.00 C ATOM 127 NH1 ARG A 9 18.502 1.756 2.756 1.00 0.00 N ATOM 128 NH2 ARG A 9 20.153 0.605 1.672 1.00 0.00 N ATOM 0 H ARG A 9 12.128 0.074 -2.193 1.00 0.00 H new ATOM 0 HA ARG A 9 13.933 -1.012 -1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.310 1.350 -0.782 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.890 0.825 0.836 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.745 -0.810 0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 9 16.154 -0.328 -0.831 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.566 2.008 0.013 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.274 1.433 1.643 1.00 0.00 H new ATOM 0 HE ARG A 9 18.384 0.076 0.016 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.534 2.071 2.815 1.00 0.00 H new ATOM 0 HH12 ARG A 9 19.165 2.005 3.490 1.00 0.00 H new ATOM 0 HH21 ARG A 9 20.464 0.028 0.890 1.00 0.00 H new ATOM 0 HH22 ARG A 9 20.808 0.859 2.411 1.00 0.00 H new ATOM 142 N GLY A 10 12.470 -2.787 -0.203 1.00 0.00 N ATOM 143 CA GLY A 10 12.274 -4.001 0.563 1.00 0.00 C ATOM 144 C GLY A 10 11.046 -3.968 1.456 1.00 0.00 C ATOM 145 O GLY A 10 10.550 -5.021 1.877 1.00 0.00 O ATOM 0 H GLY A 10 11.988 -2.769 -1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.191 -4.844 -0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.156 -4.178 1.179 1.00 0.00 H new ATOM 149 N VAL A 11 10.552 -2.786 1.751 1.00 0.00 N ATOM 150 CA VAL A 11 9.399 -2.642 2.612 1.00 0.00 C ATOM 151 C VAL A 11 8.153 -2.395 1.765 1.00 0.00 C ATOM 152 O VAL A 11 8.049 -1.375 1.071 1.00 0.00 O ATOM 153 CB VAL A 11 9.587 -1.477 3.627 1.00 0.00 C ATOM 154 CG1 VAL A 11 8.405 -1.386 4.587 1.00 0.00 C ATOM 155 CG2 VAL A 11 10.888 -1.646 4.408 1.00 0.00 C ATOM 0 H VAL A 11 10.933 -1.906 1.405 1.00 0.00 H new ATOM 0 HA VAL A 11 9.283 -3.565 3.179 1.00 0.00 H new ATOM 0 HB VAL A 11 9.638 -0.548 3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.565 -0.563 5.284 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.490 -1.210 4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.315 -2.320 5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.000 -0.821 5.112 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.864 -2.589 4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.730 -1.649 3.716 1.00 0.00 H new ATOM 165 N CYS A 12 7.239 -3.325 1.790 1.00 0.00 N ATOM 166 CA CYS A 12 6.029 -3.204 1.026 1.00 0.00 C ATOM 167 C CYS A 12 4.857 -2.905 1.925 1.00 0.00 C ATOM 168 O CYS A 12 4.548 -3.660 2.850 1.00 0.00 O ATOM 169 CB CYS A 12 5.769 -4.453 0.192 1.00 0.00 C ATOM 170 SG CYS A 12 7.086 -4.840 -1.016 1.00 0.00 S ATOM 0 H CYS A 12 7.311 -4.183 2.337 1.00 0.00 H new ATOM 0 HA CYS A 12 6.154 -2.368 0.337 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.646 -5.304 0.862 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.827 -4.329 -0.342 1.00 0.00 H new ATOM 175 N ARG A 13 4.220 -1.812 1.655 1.00 0.00 N ATOM 176 CA ARG A 13 3.090 -1.369 2.414 1.00 0.00 C ATOM 177 C ARG A 13 1.852 -1.502 1.545 1.00 0.00 C ATOM 178 O ARG A 13 1.803 -0.952 0.434 1.00 0.00 O ATOM 179 CB ARG A 13 3.296 0.099 2.821 1.00 0.00 C ATOM 180 CG ARG A 13 2.191 0.710 3.688 1.00 0.00 C ATOM 181 CD ARG A 13 2.201 0.214 5.144 1.00 0.00 C ATOM 182 NE ARG A 13 1.940 -1.230 5.294 1.00 0.00 N ATOM 183 CZ ARG A 13 0.802 -1.754 5.775 1.00 0.00 C ATOM 184 NH1 ARG A 13 -0.236 -0.971 6.065 1.00 0.00 N ATOM 185 NH2 ARG A 13 0.708 -3.068 5.955 1.00 0.00 N ATOM 0 H ARG A 13 4.473 -1.189 0.888 1.00 0.00 H new ATOM 0 HA ARG A 13 2.974 -1.970 3.316 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.240 0.178 3.360 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.394 0.697 1.915 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.295 1.795 3.683 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.223 0.481 3.242 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.170 0.444 5.588 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.452 0.768 5.710 1.00 0.00 H new ATOM 0 HE ARG A 13 2.677 -1.876 5.012 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.170 0.037 5.922 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.096 -1.379 6.430 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.498 -3.672 5.728 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.154 -3.472 6.320 1.00 0.00 H new ATOM 199 N CYS A 14 0.899 -2.262 1.994 1.00 0.00 N ATOM 200 CA CYS A 14 -0.322 -2.399 1.263 1.00 0.00 C ATOM 201 C CYS A 14 -1.404 -1.581 1.890 1.00 0.00 C ATOM 202 O CYS A 14 -1.690 -1.690 3.088 1.00 0.00 O ATOM 203 CB CYS A 14 -0.749 -3.840 1.107 1.00 0.00 C ATOM 204 SG CYS A 14 0.516 -4.924 0.339 1.00 0.00 S ATOM 0 H CYS A 14 0.944 -2.796 2.862 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.137 -2.022 0.257 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.005 -4.239 2.089 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.655 -3.875 0.503 1.00 0.00 H new ATOM 209 N VAL A 15 -1.979 -0.768 1.083 1.00 0.00 N ATOM 210 CA VAL A 15 -3.013 0.133 1.467 1.00 0.00 C ATOM 211 C VAL A 15 -4.320 -0.439 0.972 1.00 0.00 C ATOM 212 O VAL A 15 -4.504 -0.630 -0.240 1.00 0.00 O ATOM 213 CB VAL A 15 -2.798 1.535 0.824 1.00 0.00 C ATOM 214 CG1 VAL A 15 -3.853 2.524 1.292 1.00 0.00 C ATOM 215 CG2 VAL A 15 -1.395 2.066 1.107 1.00 0.00 C ATOM 0 H VAL A 15 -1.735 -0.706 0.094 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.011 0.252 2.550 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.901 1.418 -0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.676 3.493 0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.842 2.161 1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.799 2.628 2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.277 3.046 0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.249 2.153 2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.656 1.379 0.695 1.00 0.00 H new ATOM 225 N CYS A 16 -5.183 -0.759 1.867 1.00 0.00 N ATOM 226 CA CYS A 16 -6.456 -1.295 1.513 1.00 0.00 C ATOM 227 C CYS A 16 -7.546 -0.302 1.776 1.00 0.00 C ATOM 228 O CYS A 16 -7.558 0.379 2.813 1.00 0.00 O ATOM 229 CB CYS A 16 -6.732 -2.605 2.239 1.00 0.00 C ATOM 230 SG CYS A 16 -5.582 -3.952 1.815 1.00 0.00 S ATOM 0 H CYS A 16 -5.030 -0.658 2.870 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.437 -1.507 0.444 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.686 -2.428 3.314 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.749 -2.926 2.012 1.00 0.00 H new ATOM 235 N ARG A 17 -8.429 -0.173 0.831 1.00 0.00 N ATOM 236 CA ARG A 17 -9.556 0.695 0.974 1.00 0.00 C ATOM 237 C ARG A 17 -10.794 0.013 0.448 1.00 0.00 C ATOM 238 O ARG A 17 -10.926 -0.219 -0.768 1.00 0.00 O ATOM 239 CB ARG A 17 -9.334 2.019 0.261 1.00 0.00 C ATOM 240 CG ARG A 17 -10.486 2.997 0.421 1.00 0.00 C ATOM 241 CD ARG A 17 -10.224 4.271 -0.341 1.00 0.00 C ATOM 242 NE ARG A 17 -10.077 4.032 -1.784 1.00 0.00 N ATOM 243 CZ ARG A 17 -9.589 4.916 -2.660 1.00 0.00 C ATOM 244 NH1 ARG A 17 -9.180 6.101 -2.245 1.00 0.00 N ATOM 245 NH2 ARG A 17 -9.493 4.599 -3.945 1.00 0.00 N ATOM 0 H ARG A 17 -8.387 -0.667 -0.060 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.687 0.913 2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.422 2.479 0.642 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.175 1.828 -0.800 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.409 2.539 0.064 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.631 3.224 1.477 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.043 4.969 -0.171 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.319 4.742 0.042 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.369 3.123 -2.144 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.236 6.342 -1.256 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.808 6.775 -2.914 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.792 3.678 -4.267 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.120 5.276 -4.611 1.00 0.00 H new ATOM 259 N ARG A 18 -11.646 -0.368 1.381 1.00 0.00 N ATOM 260 CA ARG A 18 -12.940 -0.977 1.136 1.00 0.00 C ATOM 261 C ARG A 18 -12.798 -2.213 0.246 1.00 0.00 C ATOM 262 O ARG A 18 -13.479 -2.367 -0.761 1.00 0.00 O ATOM 263 CB ARG A 18 -13.921 0.062 0.556 1.00 0.00 C ATOM 264 CG ARG A 18 -15.380 -0.370 0.556 1.00 0.00 C ATOM 265 CD ARG A 18 -16.286 0.757 0.093 1.00 0.00 C ATOM 266 NE ARG A 18 -16.164 1.952 0.952 1.00 0.00 N ATOM 267 CZ ARG A 18 -16.976 3.017 0.926 1.00 0.00 C ATOM 268 NH1 ARG A 18 -18.016 3.055 0.100 1.00 0.00 N ATOM 269 NH2 ARG A 18 -16.743 4.044 1.740 1.00 0.00 N ATOM 0 H ARG A 18 -11.446 -0.256 2.375 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.358 -1.319 2.083 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.830 0.986 1.127 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.624 0.290 -0.468 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.506 -1.233 -0.097 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.669 -0.684 1.559 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -16.039 1.022 -0.935 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -17.321 0.414 0.093 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.396 1.968 1.623 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -18.202 2.268 -0.522 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -18.628 3.871 0.088 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.949 4.018 2.380 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -17.358 4.857 1.724 1.00 0.00 H new TER 283 ARG A 18