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= -0.323 (180deg=-0.323) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.938 -2.622 -0.071 1.00 0.00 N ATOM 2 CA GLY A 1 -12.849 -3.988 -0.548 1.00 0.00 C ATOM 3 C GLY A 1 -11.687 -4.189 -1.504 1.00 0.00 C ATOM 4 O GLY A 1 -11.454 -5.298 -1.990 1.00 0.00 O ATOM 0 H2 GLY A 1 -13.746 -2.533 0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.738 -4.661 0.302 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.779 -4.257 -1.048 1.00 0.00 H new ATOM 8 N VAL A 2 -10.973 -3.127 -1.773 1.00 0.00 N ATOM 9 CA VAL A 2 -9.857 -3.149 -2.682 1.00 0.00 C ATOM 10 C VAL A 2 -8.578 -3.074 -1.869 1.00 0.00 C ATOM 11 O VAL A 2 -8.488 -2.300 -0.917 1.00 0.00 O ATOM 12 CB VAL A 2 -9.913 -1.933 -3.660 1.00 0.00 C ATOM 13 CG1 VAL A 2 -8.807 -1.997 -4.702 1.00 0.00 C ATOM 14 CG2 VAL A 2 -11.272 -1.828 -4.333 1.00 0.00 C ATOM 0 H VAL A 2 -11.153 -2.211 -1.362 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.892 -4.066 -3.270 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.757 -1.036 -3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.880 -1.134 -5.363 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.837 -1.992 -4.204 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.910 -2.911 -5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -11.279 -0.972 -5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.469 -2.738 -4.900 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.044 -1.699 -3.575 1.00 0.00 H new ATOM 24 N CYS A 3 -7.624 -3.867 -2.202 1.00 0.00 N ATOM 25 CA CYS A 3 -6.376 -3.837 -1.510 1.00 0.00 C ATOM 26 C CYS A 3 -5.268 -3.462 -2.461 1.00 0.00 C ATOM 27 O CYS A 3 -5.230 -3.936 -3.601 1.00 0.00 O ATOM 28 CB CYS A 3 -6.072 -5.176 -0.848 1.00 0.00 C ATOM 29 SG CYS A 3 -7.209 -5.621 0.504 1.00 0.00 S ATOM 0 H CYS A 3 -7.680 -4.552 -2.956 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.445 -3.086 -0.723 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.104 -5.958 -1.606 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.054 -5.152 -0.458 1.00 0.00 H new ATOM 34 N ARG A 4 -4.406 -2.592 -2.020 1.00 0.00 N ATOM 35 CA ARG A 4 -3.275 -2.179 -2.811 1.00 0.00 C ATOM 36 C ARG A 4 -2.000 -2.285 -2.024 1.00 0.00 C ATOM 37 O ARG A 4 -1.968 -1.954 -0.849 1.00 0.00 O ATOM 38 CB ARG A 4 -3.443 -0.763 -3.347 1.00 0.00 C ATOM 39 CG ARG A 4 -3.911 0.270 -2.326 1.00 0.00 C ATOM 40 CD ARG A 4 -3.782 1.667 -2.887 1.00 0.00 C ATOM 41 NE ARG A 4 -4.312 1.759 -4.247 1.00 0.00 N ATOM 42 CZ ARG A 4 -3.819 2.561 -5.192 1.00 0.00 C ATOM 43 NH1 ARG A 4 -2.888 3.461 -4.892 1.00 0.00 N ATOM 44 NH2 ARG A 4 -4.267 2.470 -6.432 1.00 0.00 N ATOM 0 H ARG A 4 -4.464 -2.147 -1.104 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.220 -2.856 -3.664 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.490 -0.434 -3.762 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.158 -0.786 -4.170 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.948 0.076 -2.053 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.320 0.182 -1.414 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.313 2.368 -2.242 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.733 1.964 -2.885 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.110 1.172 -4.489 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.546 3.541 -3.934 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -2.515 4.071 -5.619 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.988 1.787 -6.665 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.891 3.082 -7.156 1.00 0.00 H new ATOM 58 N CYS A 5 -0.969 -2.754 -2.651 1.00 0.00 N ATOM 59 CA CYS A 5 0.303 -2.866 -2.006 1.00 0.00 C ATOM 60 C CYS A 5 1.303 -1.973 -2.688 1.00 0.00 C ATOM 61 O CYS A 5 1.483 -2.013 -3.912 1.00 0.00 O ATOM 62 CB CYS A 5 0.785 -4.294 -1.972 1.00 0.00 C ATOM 63 SG CYS A 5 -0.406 -5.474 -1.225 1.00 0.00 S ATOM 0 H CYS A 5 -0.983 -3.070 -3.621 1.00 0.00 H new ATOM 0 HA CYS A 5 0.191 -2.543 -0.971 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.007 -4.615 -2.990 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.720 -4.337 -1.413 1.00 0.00 H new ATOM 68 N VAL A 6 1.922 -1.160 -1.905 1.00 0.00 N ATOM 69 CA VAL A 6 2.854 -0.174 -2.388 1.00 0.00 C ATOM 70 C VAL A 6 4.230 -0.441 -1.819 1.00 0.00 C ATOM 71 O VAL A 6 4.411 -0.419 -0.598 1.00 0.00 O ATOM 72 CB VAL A 6 2.403 1.266 -1.995 1.00 0.00 C ATOM 73 CG1 VAL A 6 3.379 2.311 -2.519 1.00 0.00 C ATOM 74 CG2 VAL A 6 0.991 1.553 -2.504 1.00 0.00 C ATOM 0 H VAL A 6 1.800 -1.153 -0.892 1.00 0.00 H new ATOM 0 HA VAL A 6 2.884 -0.244 -3.475 1.00 0.00 H new ATOM 0 HB VAL A 6 2.396 1.324 -0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.038 3.305 -2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.368 2.129 -2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.431 2.248 -3.606 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.699 2.563 -2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.971 1.464 -3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.295 0.837 -2.068 1.00 0.00 H new ATOM 84 N CYS A 7 5.181 -0.738 -2.668 1.00 0.00 N ATOM 85 CA CYS A 7 6.535 -0.939 -2.209 1.00 0.00 C ATOM 86 C CYS A 7 7.267 0.339 -1.972 1.00 0.00 C ATOM 87 O CYS A 7 7.254 1.266 -2.787 1.00 0.00 O ATOM 88 CB CYS A 7 7.364 -1.906 -3.058 1.00 0.00 C ATOM 89 SG CYS A 7 7.129 -3.696 -2.687 1.00 0.00 S ATOM 0 H CYS A 7 5.046 -0.846 -3.673 1.00 0.00 H new ATOM 0 HA CYS A 7 6.407 -1.431 -1.245 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.124 -1.737 -4.108 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.418 -1.662 -2.929 1.00 0.00 H new ATOM 94 N ARG A 8 7.826 0.398 -0.818 1.00 0.00 N ATOM 95 CA ARG A 8 8.663 1.466 -0.402 1.00 0.00 C ATOM 96 C ARG A 8 9.909 0.849 0.164 1.00 0.00 C ATOM 97 O ARG A 8 9.843 0.130 1.176 1.00 0.00 O ATOM 98 CB ARG A 8 7.969 2.318 0.656 1.00 0.00 C ATOM 99 CG ARG A 8 8.819 3.463 1.172 1.00 0.00 C ATOM 100 CD ARG A 8 8.067 4.261 2.215 1.00 0.00 C ATOM 101 NE ARG A 8 8.834 5.408 2.695 1.00 0.00 N ATOM 102 CZ ARG A 8 8.340 6.400 3.448 1.00 0.00 C ATOM 103 NH1 ARG A 8 7.049 6.398 3.804 1.00 0.00 N ATOM 104 NH2 ARG A 8 9.128 7.404 3.820 1.00 0.00 N ATOM 0 H ARG A 8 7.709 -0.325 -0.108 1.00 0.00 H new ATOM 0 HA ARG A 8 8.895 2.120 -1.243 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.047 2.722 0.237 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.686 1.681 1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.742 3.073 1.601 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.103 4.113 0.345 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.124 4.608 1.793 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.821 3.614 3.057 1.00 0.00 H new ATOM 0 HE ARG A 8 9.820 5.457 2.438 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.438 5.639 3.502 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.677 7.155 4.377 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.106 7.418 3.532 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.754 8.160 4.393 1.00 0.00 H new ATOM 118 N ARG A 9 11.005 1.042 -0.536 1.00 0.00 N ATOM 119 CA ARG A 9 12.308 0.519 -0.164 1.00 0.00 C ATOM 120 C ARG A 9 12.244 -1.027 -0.118 1.00 0.00 C ATOM 121 O ARG A 9 12.809 -1.698 0.764 1.00 0.00 O ATOM 122 CB ARG A 9 12.787 1.152 1.170 1.00 0.00 C ATOM 123 CG ARG A 9 14.223 0.823 1.547 1.00 0.00 C ATOM 124 CD ARG A 9 15.196 1.407 0.542 1.00 0.00 C ATOM 125 NE ARG A 9 16.561 0.964 0.786 1.00 0.00 N ATOM 126 CZ ARG A 9 17.654 1.490 0.238 1.00 0.00 C ATOM 127 NH1 ARG A 9 17.567 2.573 -0.535 1.00 0.00 N ATOM 128 NH2 ARG A 9 18.833 0.938 0.478 1.00 0.00 N ATOM 0 H ARG A 9 11.019 1.580 -1.402 1.00 0.00 H new ATOM 0 HA ARG A 9 13.052 0.792 -0.912 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.682 2.235 1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.129 0.818 1.972 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.441 1.216 2.540 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.351 -0.258 1.597 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.895 1.117 -0.465 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.154 2.495 0.587 1.00 0.00 H new ATOM 0 HE ARG A 9 16.691 0.185 1.431 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.659 3.003 -0.709 1.00 0.00 H new ATOM 0 HH12 ARG A 9 18.409 2.971 -0.952 1.00 0.00 H new ATOM 0 HH21 ARG A 9 18.899 0.116 1.079 1.00 0.00 H new ATOM 0 HH22 ARG A 9 19.676 1.334 0.062 1.00 0.00 H new ATOM 142 N GLY A 10 11.485 -1.566 -1.058 1.00 0.00 N ATOM 143 CA GLY A 10 11.312 -2.994 -1.186 1.00 0.00 C ATOM 144 C GLY A 10 10.225 -3.547 -0.294 1.00 0.00 C ATOM 145 O GLY A 10 9.826 -4.709 -0.437 1.00 0.00 O ATOM 0 H GLY A 10 10.973 -1.021 -1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.078 -3.233 -2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.254 -3.490 -0.950 1.00 0.00 H new ATOM 149 N VAL A 11 9.745 -2.747 0.619 1.00 0.00 N ATOM 150 CA VAL A 11 8.728 -3.188 1.531 1.00 0.00 C ATOM 151 C VAL A 11 7.376 -2.751 1.033 1.00 0.00 C ATOM 152 O VAL A 11 7.075 -1.553 0.998 1.00 0.00 O ATOM 153 CB VAL A 11 8.965 -2.634 2.965 1.00 0.00 C ATOM 154 CG1 VAL A 11 7.879 -3.114 3.931 1.00 0.00 C ATOM 155 CG2 VAL A 11 10.340 -3.041 3.473 1.00 0.00 C ATOM 0 H VAL A 11 10.045 -1.781 0.750 1.00 0.00 H new ATOM 0 HA VAL A 11 8.770 -4.276 1.581 1.00 0.00 H new ATOM 0 HB VAL A 11 8.916 -1.546 2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.072 -2.710 4.925 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.905 -2.771 3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.886 -4.203 3.974 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.489 -2.645 4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.412 -4.128 3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.106 -2.642 2.808 1.00 0.00 H new ATOM 165 N CYS A 12 6.594 -3.695 0.597 1.00 0.00 N ATOM 166 CA CYS A 12 5.251 -3.419 0.176 1.00 0.00 C ATOM 167 C CYS A 12 4.338 -3.306 1.345 1.00 0.00 C ATOM 168 O CYS A 12 4.258 -4.186 2.189 1.00 0.00 O ATOM 169 CB CYS A 12 4.720 -4.402 -0.873 1.00 0.00 C ATOM 170 SG CYS A 12 5.127 -3.998 -2.630 1.00 0.00 S ATOM 0 H CYS A 12 6.868 -4.675 0.523 1.00 0.00 H new ATOM 0 HA CYS A 12 5.281 -2.453 -0.327 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.113 -5.393 -0.647 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.636 -4.459 -0.775 1.00 0.00 H new ATOM 175 N ARG A 13 3.727 -2.182 1.422 1.00 0.00 N ATOM 176 CA ARG A 13 2.774 -1.885 2.438 1.00 0.00 C ATOM 177 C ARG A 13 1.409 -2.005 1.806 1.00 0.00 C ATOM 178 O ARG A 13 1.122 -1.314 0.816 1.00 0.00 O ATOM 179 CB ARG A 13 3.000 -0.463 2.957 1.00 0.00 C ATOM 180 CG ARG A 13 4.406 -0.217 3.476 1.00 0.00 C ATOM 181 CD ARG A 13 4.573 1.205 3.963 1.00 0.00 C ATOM 182 NE ARG A 13 5.948 1.478 4.420 1.00 0.00 N ATOM 183 CZ ARG A 13 6.281 2.432 5.298 1.00 0.00 C ATOM 184 NH1 ARG A 13 5.343 3.238 5.800 1.00 0.00 N ATOM 185 NH2 ARG A 13 7.553 2.584 5.652 1.00 0.00 N ATOM 0 H ARG A 13 3.877 -1.418 0.763 1.00 0.00 H new ATOM 0 HA ARG A 13 2.868 -2.568 3.283 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.790 0.244 2.155 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.287 -0.260 3.756 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.622 -0.910 4.290 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.128 -0.420 2.685 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.315 1.895 3.160 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.876 1.392 4.780 1.00 0.00 H new ATOM 0 HE ARG A 13 6.698 0.900 4.041 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.370 3.128 5.515 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.599 3.964 6.469 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.269 1.976 5.255 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.813 3.309 6.321 1.00 0.00 H new ATOM 199 N CYS A 14 0.613 -2.905 2.299 1.00 0.00 N ATOM 200 CA CYS A 14 -0.694 -3.106 1.744 1.00 0.00 C ATOM 201 C CYS A 14 -1.734 -2.353 2.532 1.00 0.00 C ATOM 202 O CYS A 14 -1.791 -2.412 3.758 1.00 0.00 O ATOM 203 CB CYS A 14 -1.047 -4.581 1.646 1.00 0.00 C ATOM 204 SG CYS A 14 0.177 -5.598 0.725 1.00 0.00 S ATOM 0 H CYS A 14 0.844 -3.513 3.085 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.681 -2.709 0.729 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.151 -4.984 2.653 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.019 -4.678 1.162 1.00 0.00 H new ATOM 209 N VAL A 15 -2.516 -1.630 1.816 1.00 0.00 N ATOM 210 CA VAL A 15 -3.578 -0.823 2.339 1.00 0.00 C ATOM 211 C VAL A 15 -4.869 -1.348 1.743 1.00 0.00 C ATOM 212 O VAL A 15 -4.956 -1.527 0.520 1.00 0.00 O ATOM 213 CB VAL A 15 -3.403 0.672 1.913 1.00 0.00 C ATOM 214 CG1 VAL A 15 -4.496 1.549 2.504 1.00 0.00 C ATOM 215 CG2 VAL A 15 -2.026 1.201 2.295 1.00 0.00 C ATOM 0 H VAL A 15 -2.436 -1.577 0.801 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.579 -0.872 3.428 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.490 0.710 0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.345 2.581 2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.469 1.202 2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.459 1.493 3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.937 2.242 1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.896 1.132 3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.258 0.608 1.799 1.00 0.00 H new ATOM 225 N CYS A 16 -5.827 -1.629 2.558 1.00 0.00 N ATOM 226 CA CYS A 16 -7.086 -2.108 2.065 1.00 0.00 C ATOM 227 C CYS A 16 -8.188 -1.119 2.360 1.00 0.00 C ATOM 228 O CYS A 16 -8.271 -0.576 3.467 1.00 0.00 O ATOM 229 CB CYS A 16 -7.437 -3.475 2.643 1.00 0.00 C ATOM 230 SG CYS A 16 -6.319 -4.829 2.150 1.00 0.00 S ATOM 0 H CYS A 16 -5.769 -1.537 3.572 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.989 -2.217 0.985 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.439 -3.403 3.731 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.451 -3.732 2.338 1.00 0.00 H new ATOM 235 N ARG A 17 -9.008 -0.867 1.376 1.00 0.00 N ATOM 236 CA ARG A 17 -10.136 0.035 1.518 1.00 0.00 C ATOM 237 C ARG A 17 -11.147 -0.212 0.428 1.00 0.00 C ATOM 238 O ARG A 17 -10.777 -0.514 -0.708 1.00 0.00 O ATOM 239 CB ARG A 17 -9.688 1.497 1.494 1.00 0.00 C ATOM 240 CG ARG A 17 -8.974 1.918 0.220 1.00 0.00 C ATOM 241 CD ARG A 17 -8.540 3.365 0.292 1.00 0.00 C ATOM 242 NE ARG A 17 -7.704 3.626 1.479 1.00 0.00 N ATOM 243 CZ ARG A 17 -6.848 4.636 1.597 1.00 0.00 C ATOM 244 NH1 ARG A 17 -6.629 5.445 0.566 1.00 0.00 N ATOM 245 NH2 ARG A 17 -6.203 4.826 2.745 1.00 0.00 N ATOM 0 H ARG A 17 -8.919 -1.279 0.447 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.598 -0.162 2.485 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.562 2.134 1.633 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.026 1.675 2.342 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.104 1.282 0.060 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.635 1.775 -0.635 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.983 3.623 -0.609 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.420 4.008 0.318 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.789 2.984 2.267 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.118 5.291 -0.316 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.972 6.220 0.656 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.366 4.197 3.532 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.546 5.600 2.838 1.00 0.00 H new ATOM 259 N ARG A 18 -12.419 -0.132 0.791 1.00 0.00 N ATOM 260 CA ARG A 18 -13.541 -0.273 -0.140 1.00 0.00 C ATOM 261 C ARG A 18 -13.547 -1.682 -0.773 1.00 0.00 C ATOM 262 O ARG A 18 -14.083 -1.911 -1.848 1.00 0.00 O ATOM 263 CB ARG A 18 -13.467 0.869 -1.179 1.00 0.00 C ATOM 264 CG ARG A 18 -14.638 0.998 -2.143 1.00 0.00 C ATOM 265 CD ARG A 18 -14.462 2.235 -2.996 1.00 0.00 C ATOM 266 NE ARG A 18 -14.333 3.441 -2.159 1.00 0.00 N ATOM 267 CZ ARG A 18 -13.362 4.375 -2.285 1.00 0.00 C ATOM 268 NH1 ARG A 18 -12.472 4.294 -3.265 1.00 0.00 N ATOM 269 NH2 ARG A 18 -13.297 5.380 -1.429 1.00 0.00 N ATOM 0 H ARG A 18 -12.710 0.035 1.754 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.492 -0.182 0.384 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.365 1.811 -0.641 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.558 0.736 -1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.699 0.113 -2.777 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.574 1.058 -1.588 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.576 2.126 -3.622 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.315 2.343 -3.666 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.030 3.583 -1.428 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.516 3.523 -3.931 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.744 5.003 -3.352 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.979 5.451 -0.674 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.565 6.084 -1.524 1.00 0.00 H new TER 283 ARG A 18