USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 142 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= -0.085 (180deg=-0.085) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.864 -0.440 0.315 1.00 0.00 N ATOM 2 CA GLY A 1 -14.243 -1.503 -0.583 1.00 0.00 C ATOM 3 C GLY A 1 -13.077 -2.041 -1.380 1.00 0.00 C ATOM 4 O GLY A 1 -13.112 -3.170 -1.850 1.00 0.00 O ATOM 0 H2 GLY A 1 -14.702 -0.110 0.835 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.690 -2.315 -0.009 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.008 -1.138 -1.268 1.00 0.00 H new ATOM 8 N ILE A 2 -12.041 -1.252 -1.523 1.00 0.00 N ATOM 9 CA ILE A 2 -10.898 -1.630 -2.309 1.00 0.00 C ATOM 10 C ILE A 2 -9.607 -1.323 -1.563 1.00 0.00 C ATOM 11 O ILE A 2 -9.569 -0.437 -0.687 1.00 0.00 O ATOM 12 CB ILE A 2 -10.932 -0.901 -3.685 1.00 0.00 C ATOM 13 CG1 ILE A 2 -9.749 -1.295 -4.594 1.00 0.00 C ATOM 14 CG2 ILE A 2 -11.025 0.613 -3.505 1.00 0.00 C ATOM 15 CD1 ILE A 2 -9.750 -0.639 -5.955 1.00 0.00 C ATOM 0 H ILE A 2 -11.969 -0.328 -1.096 1.00 0.00 H new ATOM 0 HA ILE A 2 -10.934 -2.705 -2.486 1.00 0.00 H new ATOM 0 HB ILE A 2 -11.835 -1.233 -4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.819 -1.043 -4.085 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -9.756 -2.377 -4.728 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -11.047 1.095 -4.482 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -11.935 0.859 -2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -10.159 0.967 -2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -8.882 -0.976 -6.522 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -10.660 -0.911 -6.489 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -9.708 0.444 -5.837 1.00 0.00 H new ATOM 27 N CYS A 3 -8.582 -2.073 -1.873 1.00 0.00 N ATOM 28 CA CYS A 3 -7.284 -1.881 -1.299 1.00 0.00 C ATOM 29 C CYS A 3 -6.285 -1.630 -2.403 1.00 0.00 C ATOM 30 O CYS A 3 -6.431 -2.141 -3.517 1.00 0.00 O ATOM 31 CB CYS A 3 -6.862 -3.088 -0.477 1.00 0.00 C ATOM 32 SG CYS A 3 -8.090 -3.634 0.773 1.00 0.00 S ATOM 0 H CYS A 3 -8.630 -2.843 -2.540 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.321 -1.020 -0.631 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.659 -3.918 -1.154 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.926 -2.855 0.031 1.00 0.00 H new ATOM 37 N ARG A 4 -5.304 -0.835 -2.103 1.00 0.00 N ATOM 38 CA ARG A 4 -4.278 -0.482 -3.048 1.00 0.00 C ATOM 39 C ARG A 4 -2.926 -0.677 -2.408 1.00 0.00 C ATOM 40 O ARG A 4 -2.659 -0.133 -1.339 1.00 0.00 O ATOM 41 CB ARG A 4 -4.444 0.970 -3.476 1.00 0.00 C ATOM 42 CG ARG A 4 -3.461 1.440 -4.535 1.00 0.00 C ATOM 43 CD ARG A 4 -3.708 2.892 -4.859 1.00 0.00 C ATOM 44 NE ARG A 4 -2.835 3.407 -5.917 1.00 0.00 N ATOM 45 CZ ARG A 4 -2.885 4.660 -6.392 1.00 0.00 C ATOM 46 NH1 ARG A 4 -3.744 5.539 -5.871 1.00 0.00 N ATOM 47 NH2 ARG A 4 -2.071 5.027 -7.373 1.00 0.00 N ATOM 0 H ARG A 4 -5.188 -0.406 -1.185 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.360 -1.119 -3.929 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.457 1.109 -3.854 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.341 1.607 -2.597 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.439 1.307 -4.179 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.567 0.835 -5.435 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.747 3.018 -5.162 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.565 3.488 -3.957 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.145 2.772 -6.318 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.363 5.258 -5.111 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.781 6.492 -6.233 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -1.409 4.357 -7.764 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.107 5.979 -7.736 1.00 0.00 H new ATOM 61 N CYS A 5 -2.110 -1.456 -3.032 1.00 0.00 N ATOM 62 CA CYS A 5 -0.797 -1.733 -2.576 1.00 0.00 C ATOM 63 C CYS A 5 0.187 -0.823 -3.256 1.00 0.00 C ATOM 64 O CYS A 5 0.511 -0.988 -4.433 1.00 0.00 O ATOM 65 CB CYS A 5 -0.471 -3.187 -2.831 1.00 0.00 C ATOM 66 SG CYS A 5 -1.640 -4.341 -2.032 1.00 0.00 S ATOM 0 H CYS A 5 -2.349 -1.932 -3.902 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.733 -1.550 -1.503 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.469 -3.369 -3.906 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.537 -3.395 -2.471 1.00 0.00 H new ATOM 71 N ILE A 6 0.609 0.168 -2.535 1.00 0.00 N ATOM 72 CA ILE A 6 1.556 1.111 -3.016 1.00 0.00 C ATOM 73 C ILE A 6 2.928 0.656 -2.562 1.00 0.00 C ATOM 74 O ILE A 6 3.094 0.270 -1.409 1.00 0.00 O ATOM 75 CB ILE A 6 1.253 2.529 -2.463 1.00 0.00 C ATOM 76 CG1 ILE A 6 -0.205 2.917 -2.778 1.00 0.00 C ATOM 77 CG2 ILE A 6 2.226 3.563 -3.044 1.00 0.00 C ATOM 78 CD1 ILE A 6 -0.646 4.245 -2.200 1.00 0.00 C ATOM 0 H ILE A 6 0.297 0.343 -1.580 1.00 0.00 H new ATOM 0 HA ILE A 6 1.508 1.166 -4.104 1.00 0.00 H new ATOM 0 HB ILE A 6 1.387 2.515 -1.381 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.333 2.947 -3.860 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.864 2.135 -2.401 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.993 4.549 -2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.247 3.293 -2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.130 3.583 -4.130 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.684 4.434 -2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.556 4.217 -1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.016 5.041 -2.596 1.00 0.00 H new ATOM 90 N CYS A 7 3.870 0.658 -3.449 1.00 0.00 N ATOM 91 CA CYS A 7 5.216 0.248 -3.143 1.00 0.00 C ATOM 92 C CYS A 7 6.182 1.322 -3.577 1.00 0.00 C ATOM 93 O CYS A 7 5.874 2.114 -4.478 1.00 0.00 O ATOM 94 CB CYS A 7 5.570 -1.071 -3.846 1.00 0.00 C ATOM 95 SG CYS A 7 4.576 -2.526 -3.352 1.00 0.00 S ATOM 0 H CYS A 7 3.733 0.946 -4.418 1.00 0.00 H new ATOM 0 HA CYS A 7 5.288 0.093 -2.066 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.462 -0.929 -4.921 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.621 -1.291 -3.658 1.00 0.00 H new ATOM 100 N GLY A 8 7.310 1.389 -2.941 1.00 0.00 N ATOM 101 CA GLY A 8 8.306 2.326 -3.341 1.00 0.00 C ATOM 102 C GLY A 8 9.485 1.605 -3.883 1.00 0.00 C ATOM 103 O GLY A 8 9.455 1.082 -5.001 1.00 0.00 O ATOM 0 H GLY A 8 7.562 0.805 -2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.902 3.000 -4.096 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.603 2.940 -2.491 1.00 0.00 H new ATOM 107 N ARG A 9 10.501 1.550 -3.106 1.00 0.00 N ATOM 108 CA ARG A 9 11.676 0.838 -3.459 1.00 0.00 C ATOM 109 C ARG A 9 11.566 -0.573 -2.912 1.00 0.00 C ATOM 110 O ARG A 9 11.714 -1.542 -3.650 1.00 0.00 O ATOM 111 CB ARG A 9 12.916 1.550 -2.907 1.00 0.00 C ATOM 112 CG ARG A 9 14.245 1.045 -3.465 1.00 0.00 C ATOM 113 CD ARG A 9 14.283 1.196 -4.984 1.00 0.00 C ATOM 114 NE ARG A 9 13.897 2.549 -5.404 1.00 0.00 N ATOM 115 CZ ARG A 9 13.079 2.829 -6.430 1.00 0.00 C ATOM 116 NH1 ARG A 9 12.725 1.876 -7.290 1.00 0.00 N ATOM 117 NH2 ARG A 9 12.651 4.071 -6.621 1.00 0.00 N ATOM 0 H ARG A 9 10.543 2.004 -2.193 1.00 0.00 H new ATOM 0 HA ARG A 9 11.779 0.797 -4.543 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.830 2.616 -3.119 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.928 1.441 -1.823 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.068 1.602 -3.018 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.385 -0.002 -3.195 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.287 0.975 -5.347 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.612 0.468 -5.439 1.00 0.00 H new ATOM 0 HE ARG A 9 14.279 3.334 -4.877 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.076 0.926 -7.171 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.103 2.096 -8.068 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.944 4.815 -5.987 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.029 4.282 -7.402 1.00 0.00 H new ATOM 131 N ARG A 10 11.297 -0.687 -1.617 1.00 0.00 N ATOM 132 CA ARG A 10 11.164 -2.004 -0.978 1.00 0.00 C ATOM 133 C ARG A 10 9.998 -2.083 -0.031 1.00 0.00 C ATOM 134 O ARG A 10 9.633 -3.168 0.420 1.00 0.00 O ATOM 135 CB ARG A 10 12.441 -2.402 -0.240 1.00 0.00 C ATOM 136 CG ARG A 10 13.606 -2.684 -1.137 1.00 0.00 C ATOM 137 CD ARG A 10 13.347 -3.922 -1.959 1.00 0.00 C ATOM 138 NE ARG A 10 14.451 -4.227 -2.843 1.00 0.00 N ATOM 139 CZ ARG A 10 14.349 -4.967 -3.936 1.00 0.00 C ATOM 140 NH1 ARG A 10 13.167 -5.449 -4.310 1.00 0.00 N ATOM 141 NH2 ARG A 10 15.420 -5.206 -4.662 1.00 0.00 N ATOM 0 H ARG A 10 11.166 0.105 -0.988 1.00 0.00 H new ATOM 0 HA ARG A 10 10.982 -2.705 -1.793 1.00 0.00 H new ATOM 0 HB2 ARG A 10 12.713 -1.603 0.449 1.00 0.00 H new ATOM 0 HB3 ARG A 10 12.238 -3.287 0.362 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.781 -1.833 -1.795 1.00 0.00 H new ATOM 0 HG3 ARG A 10 14.509 -2.817 -0.541 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.170 -4.768 -1.295 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.440 -3.784 -2.547 1.00 0.00 H new ATOM 0 HE ARG A 10 15.368 -3.847 -2.609 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.336 -5.249 -3.754 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.092 -6.019 -5.153 1.00 0.00 H new ATOM 0 HH21 ARG A 10 16.322 -4.822 -4.382 1.00 0.00 H new ATOM 0 HH22 ARG A 10 15.348 -5.775 -5.505 1.00 0.00 H new ATOM 155 N ILE A 11 9.418 -0.981 0.276 1.00 0.00 N ATOM 156 CA ILE A 11 8.329 -0.978 1.216 1.00 0.00 C ATOM 157 C ILE A 11 7.032 -0.929 0.441 1.00 0.00 C ATOM 158 O ILE A 11 6.975 -0.334 -0.646 1.00 0.00 O ATOM 159 CB ILE A 11 8.398 0.243 2.171 1.00 0.00 C ATOM 160 CG1 ILE A 11 9.817 0.422 2.721 1.00 0.00 C ATOM 161 CG2 ILE A 11 7.414 0.068 3.328 1.00 0.00 C ATOM 162 CD1 ILE A 11 10.004 1.669 3.554 1.00 0.00 C ATOM 0 H ILE A 11 9.668 -0.067 -0.101 1.00 0.00 H new ATOM 0 HA ILE A 11 8.391 -1.880 1.824 1.00 0.00 H new ATOM 0 HB ILE A 11 8.128 1.133 1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.073 -0.448 3.326 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.518 0.447 1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.473 0.932 3.990 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.401 -0.019 2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.665 -0.834 3.886 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.035 1.721 3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.782 2.548 2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.330 1.639 4.410 1.00 0.00 H new ATOM 174 N CYS A 12 6.027 -1.553 0.973 1.00 0.00 N ATOM 175 CA CYS A 12 4.725 -1.566 0.382 1.00 0.00 C ATOM 176 C CYS A 12 3.700 -1.364 1.455 1.00 0.00 C ATOM 177 O CYS A 12 3.970 -1.585 2.642 1.00 0.00 O ATOM 178 CB CYS A 12 4.427 -2.870 -0.351 1.00 0.00 C ATOM 179 SG CYS A 12 5.555 -3.271 -1.731 1.00 0.00 S ATOM 0 H CYS A 12 6.090 -2.077 1.846 1.00 0.00 H new ATOM 0 HA CYS A 12 4.690 -0.762 -0.353 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.458 -3.687 0.370 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.409 -2.825 -0.738 1.00 0.00 H new ATOM 184 N ARG A 13 2.555 -0.947 1.052 1.00 0.00 N ATOM 185 CA ARG A 13 1.467 -0.691 1.943 1.00 0.00 C ATOM 186 C ARG A 13 0.166 -0.885 1.203 1.00 0.00 C ATOM 187 O ARG A 13 -0.138 -0.134 0.267 1.00 0.00 O ATOM 188 CB ARG A 13 1.543 0.746 2.466 1.00 0.00 C ATOM 189 CG ARG A 13 0.465 1.107 3.478 1.00 0.00 C ATOM 190 CD ARG A 13 0.523 2.582 3.830 1.00 0.00 C ATOM 191 NE ARG A 13 1.828 2.978 4.377 1.00 0.00 N ATOM 192 CZ ARG A 13 2.403 4.184 4.191 1.00 0.00 C ATOM 193 NH1 ARG A 13 1.814 5.093 3.411 1.00 0.00 N ATOM 194 NH2 ARG A 13 3.564 4.466 4.760 1.00 0.00 N ATOM 0 H ARG A 13 2.337 -0.768 0.072 1.00 0.00 H new ATOM 0 HA ARG A 13 1.523 -1.380 2.786 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.520 0.901 2.924 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.474 1.431 1.621 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.517 0.865 3.071 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.593 0.509 4.380 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.311 3.174 2.939 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.257 2.810 4.557 1.00 0.00 H new ATOM 0 HE ARG A 13 2.335 2.293 4.937 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.928 4.876 2.955 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.250 6.004 3.271 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.029 3.770 5.343 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.994 5.380 4.616 1.00 0.00 H new ATOM 208 N CYS A 14 -0.557 -1.901 1.561 1.00 0.00 N ATOM 209 CA CYS A 14 -1.846 -2.123 1.014 1.00 0.00 C ATOM 210 C CYS A 14 -2.854 -1.401 1.870 1.00 0.00 C ATOM 211 O CYS A 14 -3.212 -1.844 2.962 1.00 0.00 O ATOM 212 CB CYS A 14 -2.138 -3.616 0.914 1.00 0.00 C ATOM 213 SG CYS A 14 -0.938 -4.543 -0.132 1.00 0.00 S ATOM 0 H CYS A 14 -0.262 -2.599 2.244 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.902 -1.730 -0.001 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.138 -4.044 1.916 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.140 -3.754 0.509 1.00 0.00 H new ATOM 218 N ILE A 15 -3.242 -0.254 1.401 1.00 0.00 N ATOM 219 CA ILE A 15 -4.148 0.596 2.101 1.00 0.00 C ATOM 220 C ILE A 15 -5.557 0.408 1.573 1.00 0.00 C ATOM 221 O ILE A 15 -5.824 0.570 0.370 1.00 0.00 O ATOM 222 CB ILE A 15 -3.702 2.095 2.041 1.00 0.00 C ATOM 223 CG1 ILE A 15 -4.754 3.014 2.689 1.00 0.00 C ATOM 224 CG2 ILE A 15 -3.362 2.537 0.611 1.00 0.00 C ATOM 225 CD1 ILE A 15 -4.372 4.477 2.698 1.00 0.00 C ATOM 0 H ILE A 15 -2.931 0.121 0.505 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.137 0.311 3.153 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.784 2.185 2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.698 2.899 2.157 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.924 2.687 3.715 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.058 3.584 0.616 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.548 1.924 0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.239 2.418 -0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.164 5.057 3.171 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.445 4.607 3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.231 4.823 1.674 1.00 0.00 H new ATOM 237 N CYS A 16 -6.423 0.005 2.441 1.00 0.00 N ATOM 238 CA CYS A 16 -7.796 -0.209 2.112 1.00 0.00 C ATOM 239 C CYS A 16 -8.600 1.029 2.414 1.00 0.00 C ATOM 240 O CYS A 16 -8.577 1.544 3.544 1.00 0.00 O ATOM 241 CB CYS A 16 -8.324 -1.421 2.864 1.00 0.00 C ATOM 242 SG CYS A 16 -7.364 -2.948 2.544 1.00 0.00 S ATOM 0 H CYS A 16 -6.195 -0.189 3.416 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.889 -0.410 1.045 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -8.312 -1.210 3.933 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -9.364 -1.589 2.584 1.00 0.00 H new ATOM 247 N GLY A 17 -9.279 1.525 1.412 1.00 0.00 N ATOM 248 CA GLY A 17 -10.067 2.702 1.578 1.00 0.00 C ATOM 249 C GLY A 17 -11.475 2.329 1.894 1.00 0.00 C ATOM 250 O GLY A 17 -11.822 2.105 3.062 1.00 0.00 O ATOM 0 H GLY A 17 -9.297 1.126 0.474 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.656 3.316 2.379 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.036 3.302 0.669 1.00 0.00 H new ATOM 254 N ARG A 18 -12.271 2.209 0.881 1.00 0.00 N ATOM 255 CA ARG A 18 -13.634 1.827 1.059 1.00 0.00 C ATOM 256 C ARG A 18 -14.017 0.815 -0.009 1.00 0.00 C ATOM 257 O ARG A 18 -14.349 1.177 -1.133 1.00 0.00 O ATOM 258 CB ARG A 18 -14.557 3.055 1.009 1.00 0.00 C ATOM 259 CG ARG A 18 -15.979 2.793 1.479 1.00 0.00 C ATOM 260 CD ARG A 18 -15.986 2.373 2.937 1.00 0.00 C ATOM 261 NE ARG A 18 -17.330 2.167 3.465 1.00 0.00 N ATOM 262 CZ ARG A 18 -17.598 1.644 4.666 1.00 0.00 C ATOM 263 NH1 ARG A 18 -16.606 1.225 5.451 1.00 0.00 N ATOM 264 NH2 ARG A 18 -18.859 1.532 5.070 1.00 0.00 N ATOM 0 H ARG A 18 -11.997 2.372 -0.088 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.752 1.369 2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.124 3.845 1.623 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.589 3.429 -0.014 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -16.583 3.691 1.350 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.433 2.013 0.867 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.414 1.452 3.047 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.481 3.135 3.531 1.00 0.00 H new ATOM 0 HE ARG A 18 -18.119 2.440 2.879 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.639 1.303 5.136 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.814 0.827 6.367 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -19.618 1.844 4.465 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -19.068 1.134 5.985 1.00 0.00 H new TER 278 ARG A 18