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= -0.068 (180deg=-0.068) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.477 -1.089 0.493 1.00 0.00 N ATOM 2 CA GLY A 1 -12.630 -2.521 0.341 1.00 0.00 C ATOM 3 C GLY A 1 -11.534 -3.142 -0.506 1.00 0.00 C ATOM 4 O GLY A 1 -11.358 -4.363 -0.518 1.00 0.00 O ATOM 0 H2 GLY A 1 -13.251 -0.717 1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.631 -2.988 1.326 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.598 -2.732 -0.113 1.00 0.00 H new ATOM 8 N VAL A 2 -10.788 -2.318 -1.199 1.00 0.00 N ATOM 9 CA VAL A 2 -9.746 -2.801 -2.068 1.00 0.00 C ATOM 10 C VAL A 2 -8.438 -2.672 -1.351 1.00 0.00 C ATOM 11 O VAL A 2 -8.149 -1.629 -0.778 1.00 0.00 O ATOM 12 CB VAL A 2 -9.660 -1.968 -3.373 1.00 0.00 C ATOM 13 CG1 VAL A 2 -8.648 -2.561 -4.340 1.00 0.00 C ATOM 14 CG2 VAL A 2 -11.014 -1.831 -4.031 1.00 0.00 C ATOM 0 H VAL A 2 -10.885 -1.303 -1.177 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.968 -3.836 -2.328 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.319 -0.970 -3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.611 -1.955 -5.245 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.663 -2.576 -3.873 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.943 -3.578 -4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.917 -1.242 -4.943 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.401 -2.820 -4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.702 -1.333 -3.348 1.00 0.00 H new ATOM 24 N CYS A 3 -7.665 -3.699 -1.327 1.00 0.00 N ATOM 25 CA CYS A 3 -6.385 -3.576 -0.730 1.00 0.00 C ATOM 26 C CYS A 3 -5.364 -3.349 -1.816 1.00 0.00 C ATOM 27 O CYS A 3 -5.218 -4.150 -2.738 1.00 0.00 O ATOM 28 CB CYS A 3 -6.075 -4.767 0.164 1.00 0.00 C ATOM 29 SG CYS A 3 -7.372 -5.074 1.443 1.00 0.00 S ATOM 0 H CYS A 3 -7.891 -4.618 -1.707 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.359 -2.713 -0.065 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.965 -5.658 -0.454 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.118 -4.602 0.659 1.00 0.00 H new ATOM 34 N ARG A 4 -4.690 -2.247 -1.715 1.00 0.00 N ATOM 35 CA ARG A 4 -3.767 -1.805 -2.710 1.00 0.00 C ATOM 36 C ARG A 4 -2.437 -1.656 -2.021 1.00 0.00 C ATOM 37 O ARG A 4 -2.380 -1.233 -0.858 1.00 0.00 O ATOM 38 CB ARG A 4 -4.247 -0.463 -3.282 1.00 0.00 C ATOM 39 CG ARG A 4 -3.707 -0.084 -4.669 1.00 0.00 C ATOM 40 CD ARG A 4 -4.241 -1.013 -5.777 1.00 0.00 C ATOM 41 NE ARG A 4 -3.588 -2.340 -5.799 1.00 0.00 N ATOM 42 CZ ARG A 4 -4.211 -3.535 -5.876 1.00 0.00 C ATOM 43 NH1 ARG A 4 -5.541 -3.612 -5.869 1.00 0.00 N ATOM 44 NH2 ARG A 4 -3.486 -4.646 -5.988 1.00 0.00 N ATOM 0 H ARG A 4 -4.769 -1.615 -0.918 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.687 -2.508 -3.539 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.336 -0.482 -3.332 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.974 0.326 -2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.984 0.945 -4.896 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.618 -0.125 -4.656 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.314 -1.147 -5.642 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.099 -0.531 -6.744 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.569 -2.353 -5.751 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -6.101 -2.762 -5.805 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -6.000 -4.521 -5.928 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -2.468 -4.590 -6.015 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.949 -5.553 -6.047 1.00 0.00 H new ATOM 58 N CYS A 5 -1.386 -2.041 -2.659 1.00 0.00 N ATOM 59 CA CYS A 5 -0.125 -2.040 -1.992 1.00 0.00 C ATOM 60 C CYS A 5 0.781 -0.948 -2.503 1.00 0.00 C ATOM 61 O CYS A 5 0.873 -0.700 -3.711 1.00 0.00 O ATOM 62 CB CYS A 5 0.521 -3.413 -2.083 1.00 0.00 C ATOM 63 SG CYS A 5 -0.662 -4.787 -1.754 1.00 0.00 S ATOM 0 H CYS A 5 -1.370 -2.357 -3.629 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.297 -1.821 -0.938 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.951 -3.541 -3.076 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.343 -3.470 -1.370 1.00 0.00 H new ATOM 68 N VAL A 6 1.412 -0.286 -1.585 1.00 0.00 N ATOM 69 CA VAL A 6 2.317 0.753 -1.858 1.00 0.00 C ATOM 70 C VAL A 6 3.718 0.237 -1.625 1.00 0.00 C ATOM 71 O VAL A 6 3.951 -0.558 -0.703 1.00 0.00 O ATOM 72 CB VAL A 6 2.037 1.993 -0.973 1.00 0.00 C ATOM 73 CG1 VAL A 6 0.725 2.656 -1.372 1.00 0.00 C ATOM 74 CG2 VAL A 6 2.013 1.637 0.517 1.00 0.00 C ATOM 0 H VAL A 6 1.297 -0.473 -0.589 1.00 0.00 H new ATOM 0 HA VAL A 6 2.202 1.069 -2.895 1.00 0.00 H new ATOM 0 HB VAL A 6 2.855 2.695 -1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.548 3.524 -0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.779 2.973 -2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.093 1.946 -1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.814 2.535 1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.230 0.901 0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.978 1.221 0.807 1.00 0.00 H new ATOM 84 N CYS A 7 4.626 0.611 -2.458 1.00 0.00 N ATOM 85 CA CYS A 7 5.965 0.142 -2.310 1.00 0.00 C ATOM 86 C CYS A 7 6.867 1.253 -1.873 1.00 0.00 C ATOM 87 O CYS A 7 6.894 2.330 -2.468 1.00 0.00 O ATOM 88 CB CYS A 7 6.459 -0.550 -3.564 1.00 0.00 C ATOM 89 SG CYS A 7 5.381 -1.926 -4.121 1.00 0.00 S ATOM 0 H CYS A 7 4.470 1.238 -3.247 1.00 0.00 H new ATOM 0 HA CYS A 7 5.977 -0.613 -1.524 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.539 0.184 -4.366 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.462 -0.936 -3.384 1.00 0.00 H new ATOM 94 N ARG A 8 7.556 1.005 -0.816 1.00 0.00 N ATOM 95 CA ARG A 8 8.410 1.969 -0.207 1.00 0.00 C ATOM 96 C ARG A 8 9.789 1.359 -0.062 1.00 0.00 C ATOM 97 O ARG A 8 9.952 0.372 0.666 1.00 0.00 O ATOM 98 CB ARG A 8 7.846 2.347 1.175 1.00 0.00 C ATOM 99 CG ARG A 8 8.590 3.460 1.902 1.00 0.00 C ATOM 100 CD ARG A 8 8.471 4.785 1.172 1.00 0.00 C ATOM 101 NE ARG A 8 9.121 5.876 1.901 1.00 0.00 N ATOM 102 CZ ARG A 8 9.237 7.133 1.472 1.00 0.00 C ATOM 103 NH1 ARG A 8 8.776 7.486 0.275 1.00 0.00 N ATOM 104 NH2 ARG A 8 9.814 8.039 2.247 1.00 0.00 N ATOM 0 H ARG A 8 7.543 0.105 -0.337 1.00 0.00 H new ATOM 0 HA ARG A 8 8.470 2.870 -0.818 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.805 2.647 1.054 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.850 1.458 1.806 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.193 3.564 2.912 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.642 3.191 1.999 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.918 4.694 0.182 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.418 5.024 1.026 1.00 0.00 H new ATOM 0 HE ARG A 8 9.519 5.656 2.814 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.329 6.792 -0.324 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.870 8.450 -0.044 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.167 7.773 3.166 1.00 0.00 H new ATOM 0 HH22 ARG A 8 9.906 9.002 1.924 1.00 0.00 H new ATOM 118 N ARG A 9 10.746 1.892 -0.816 1.00 0.00 N ATOM 119 CA ARG A 9 12.152 1.465 -0.762 1.00 0.00 C ATOM 120 C ARG A 9 12.280 -0.038 -1.103 1.00 0.00 C ATOM 121 O ARG A 9 13.000 -0.804 -0.462 1.00 0.00 O ATOM 122 CB ARG A 9 12.771 1.852 0.612 1.00 0.00 C ATOM 123 CG ARG A 9 14.251 1.535 0.786 1.00 0.00 C ATOM 124 CD ARG A 9 14.784 2.088 2.098 1.00 0.00 C ATOM 125 NE ARG A 9 16.179 1.693 2.332 1.00 0.00 N ATOM 126 CZ ARG A 9 17.012 2.258 3.219 1.00 0.00 C ATOM 127 NH1 ARG A 9 16.624 3.305 3.947 1.00 0.00 N ATOM 128 NH2 ARG A 9 18.229 1.777 3.375 1.00 0.00 N ATOM 0 H ARG A 9 10.572 2.639 -1.489 1.00 0.00 H new ATOM 0 HA ARG A 9 12.730 1.991 -1.522 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.628 2.922 0.765 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.214 1.340 1.397 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.400 0.456 0.757 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.816 1.957 -0.045 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.711 3.176 2.090 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.163 1.733 2.921 1.00 0.00 H new ATOM 0 HE ARG A 9 16.546 0.923 1.772 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.684 3.685 3.833 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.267 3.726 4.618 1.00 0.00 H new ATOM 0 HH21 ARG A 9 18.536 0.977 2.822 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.864 2.205 4.049 1.00 0.00 H new ATOM 142 N GLY A 10 11.525 -0.449 -2.105 1.00 0.00 N ATOM 143 CA GLY A 10 11.561 -1.822 -2.564 1.00 0.00 C ATOM 144 C GLY A 10 10.707 -2.770 -1.736 1.00 0.00 C ATOM 145 O GLY A 10 10.563 -3.942 -2.088 1.00 0.00 O ATOM 0 H GLY A 10 10.878 0.151 -2.617 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.226 -1.857 -3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.593 -2.173 -2.551 1.00 0.00 H new ATOM 149 N VAL A 11 10.159 -2.290 -0.640 1.00 0.00 N ATOM 150 CA VAL A 11 9.329 -3.121 0.208 1.00 0.00 C ATOM 151 C VAL A 11 7.879 -2.750 -0.033 1.00 0.00 C ATOM 152 O VAL A 11 7.512 -1.584 0.067 1.00 0.00 O ATOM 153 CB VAL A 11 9.678 -2.926 1.709 1.00 0.00 C ATOM 154 CG1 VAL A 11 8.849 -3.844 2.594 1.00 0.00 C ATOM 155 CG2 VAL A 11 11.169 -3.135 1.959 1.00 0.00 C ATOM 0 H VAL A 11 10.273 -1.330 -0.315 1.00 0.00 H new ATOM 0 HA VAL A 11 9.505 -4.168 -0.038 1.00 0.00 H new ATOM 0 HB VAL A 11 9.432 -1.897 1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.117 -3.683 3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.790 -3.626 2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.044 -4.882 2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.384 -2.992 3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.449 -4.147 1.665 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.741 -2.416 1.373 1.00 0.00 H new ATOM 165 N CYS A 12 7.063 -3.708 -0.366 1.00 0.00 N ATOM 166 CA CYS A 12 5.680 -3.425 -0.664 1.00 0.00 C ATOM 167 C CYS A 12 4.777 -3.799 0.497 1.00 0.00 C ATOM 168 O CYS A 12 4.780 -4.944 0.958 1.00 0.00 O ATOM 169 CB CYS A 12 5.254 -4.099 -1.966 1.00 0.00 C ATOM 170 SG CYS A 12 6.271 -3.609 -3.407 1.00 0.00 S ATOM 0 H CYS A 12 7.326 -4.691 -0.439 1.00 0.00 H new ATOM 0 HA CYS A 12 5.577 -2.350 -0.808 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.311 -5.180 -1.842 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.211 -3.856 -2.168 1.00 0.00 H new ATOM 175 N ARG A 13 4.032 -2.820 0.970 1.00 0.00 N ATOM 176 CA ARG A 13 3.128 -2.965 2.095 1.00 0.00 C ATOM 177 C ARG A 13 1.710 -2.658 1.638 1.00 0.00 C ATOM 178 O ARG A 13 1.499 -1.740 0.835 1.00 0.00 O ATOM 179 CB ARG A 13 3.555 -2.048 3.241 1.00 0.00 C ATOM 180 CG ARG A 13 4.894 -2.425 3.851 1.00 0.00 C ATOM 181 CD ARG A 13 5.253 -1.534 5.024 1.00 0.00 C ATOM 182 NE ARG A 13 6.535 -1.925 5.629 1.00 0.00 N ATOM 183 CZ ARG A 13 7.179 -1.235 6.585 1.00 0.00 C ATOM 184 NH1 ARG A 13 6.633 -0.134 7.107 1.00 0.00 N ATOM 185 NH2 ARG A 13 8.364 -1.652 7.026 1.00 0.00 N ATOM 0 H ARG A 13 4.038 -1.880 0.574 1.00 0.00 H new ATOM 0 HA ARG A 13 3.162 -3.989 2.466 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.607 -1.023 2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.791 -2.071 4.018 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.863 -3.464 4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.672 -2.355 3.091 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.308 -0.498 4.691 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.465 -1.585 5.775 1.00 0.00 H new ATOM 0 HE ARG A 13 6.969 -2.787 5.297 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.722 0.188 6.780 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.127 0.385 7.833 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.784 -2.497 6.638 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.852 -1.127 7.752 1.00 0.00 H new ATOM 199 N CYS A 14 0.755 -3.420 2.104 1.00 0.00 N ATOM 200 CA CYS A 14 -0.597 -3.286 1.621 1.00 0.00 C ATOM 201 C CYS A 14 -1.504 -2.530 2.565 1.00 0.00 C ATOM 202 O CYS A 14 -1.442 -2.692 3.786 1.00 0.00 O ATOM 203 CB CYS A 14 -1.165 -4.636 1.262 1.00 0.00 C ATOM 204 SG CYS A 14 -0.132 -5.556 0.055 1.00 0.00 S ATOM 0 H CYS A 14 0.886 -4.139 2.816 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.548 -2.676 0.719 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.271 -5.232 2.169 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.165 -4.504 0.849 1.00 0.00 H new ATOM 209 N VAL A 15 -2.330 -1.691 1.986 1.00 0.00 N ATOM 210 CA VAL A 15 -3.274 -0.859 2.705 1.00 0.00 C ATOM 211 C VAL A 15 -4.659 -1.103 2.109 1.00 0.00 C ATOM 212 O VAL A 15 -4.789 -1.263 0.893 1.00 0.00 O ATOM 213 CB VAL A 15 -2.906 0.658 2.562 1.00 0.00 C ATOM 214 CG1 VAL A 15 -3.870 1.547 3.341 1.00 0.00 C ATOM 215 CG2 VAL A 15 -1.469 0.925 3.001 1.00 0.00 C ATOM 0 H VAL A 15 -2.367 -1.563 0.975 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.252 -1.113 3.765 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.995 0.908 1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.583 2.591 3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.883 1.403 2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.835 1.283 4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.246 1.986 2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.348 0.637 4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.786 0.343 2.382 1.00 0.00 H new ATOM 225 N CYS A 16 -5.670 -1.162 2.931 1.00 0.00 N ATOM 226 CA CYS A 16 -6.999 -1.396 2.439 1.00 0.00 C ATOM 227 C CYS A 16 -7.807 -0.117 2.425 1.00 0.00 C ATOM 228 O CYS A 16 -7.903 0.602 3.431 1.00 0.00 O ATOM 229 CB CYS A 16 -7.682 -2.533 3.179 1.00 0.00 C ATOM 230 SG CYS A 16 -6.730 -4.113 3.127 1.00 0.00 S ATOM 0 H CYS A 16 -5.599 -1.052 3.943 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.925 -1.724 1.402 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.833 -2.242 4.218 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.669 -2.697 2.747 1.00 0.00 H new ATOM 235 N ARG A 17 -8.366 0.161 1.281 1.00 0.00 N ATOM 236 CA ARG A 17 -9.055 1.392 0.999 1.00 0.00 C ATOM 237 C ARG A 17 -10.272 1.100 0.128 1.00 0.00 C ATOM 238 O ARG A 17 -10.130 0.548 -0.977 1.00 0.00 O ATOM 239 CB ARG A 17 -8.091 2.304 0.238 1.00 0.00 C ATOM 240 CG ARG A 17 -8.609 3.692 -0.115 1.00 0.00 C ATOM 241 CD ARG A 17 -8.616 4.664 1.074 1.00 0.00 C ATOM 242 NE ARG A 17 -9.618 4.359 2.103 1.00 0.00 N ATOM 243 CZ ARG A 17 -10.557 5.217 2.510 1.00 0.00 C ATOM 244 NH1 ARG A 17 -10.548 6.478 2.075 1.00 0.00 N ATOM 245 NH2 ARG A 17 -11.470 4.836 3.393 1.00 0.00 N ATOM 0 H ARG A 17 -8.355 -0.484 0.491 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.384 1.869 1.922 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.186 2.419 0.835 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.803 1.802 -0.685 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.993 4.109 -0.912 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.622 3.604 -0.508 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.628 4.662 1.535 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.792 5.673 0.701 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.596 3.435 2.534 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.822 6.790 1.429 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.267 7.131 2.388 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.456 3.886 3.763 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.186 5.493 3.702 1.00 0.00 H new ATOM 259 N ARG A 18 -11.458 1.413 0.642 1.00 0.00 N ATOM 260 CA ARG A 18 -12.725 1.248 -0.087 1.00 0.00 C ATOM 261 C ARG A 18 -12.967 -0.249 -0.397 1.00 0.00 C ATOM 262 O ARG A 18 -13.536 -0.632 -1.421 1.00 0.00 O ATOM 263 CB ARG A 18 -12.727 2.135 -1.365 1.00 0.00 C ATOM 264 CG ARG A 18 -14.036 2.150 -2.144 1.00 0.00 C ATOM 265 CD ARG A 18 -13.895 2.908 -3.445 1.00 0.00 C ATOM 266 NE ARG A 18 -13.662 4.340 -3.253 1.00 0.00 N ATOM 267 CZ ARG A 18 -13.128 5.146 -4.175 1.00 0.00 C ATOM 268 NH1 ARG A 18 -12.600 4.634 -5.279 1.00 0.00 N ATOM 269 NH2 ARG A 18 -13.102 6.456 -3.983 1.00 0.00 N ATOM 0 H ARG A 18 -11.574 1.791 1.582 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.555 1.584 0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.482 3.158 -1.078 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.933 1.791 -2.028 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.351 1.127 -2.350 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.817 2.608 -1.537 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.069 2.485 -4.017 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.798 2.769 -4.039 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.925 4.750 -2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.602 3.624 -5.424 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.192 5.250 -5.983 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.491 6.854 -3.128 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.693 7.067 -4.690 1.00 0.00 H new TER 283 ARG A 18