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 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.240 -1.490 0.850 1.00 0.00 N ATOM 2 CA GLY A 1 -13.332 -2.818 0.288 1.00 0.00 C ATOM 3 C GLY A 1 -12.162 -3.161 -0.610 1.00 0.00 C ATOM 4 O GLY A 1 -11.814 -4.337 -0.771 1.00 0.00 O ATOM 0 H2 GLY A 1 -14.067 -1.311 1.455 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.388 -3.546 1.097 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.257 -2.903 -0.282 1.00 0.00 H new ATOM 8 N ILE A 2 -11.544 -2.156 -1.189 1.00 0.00 N ATOM 9 CA ILE A 2 -10.445 -2.372 -2.098 1.00 0.00 C ATOM 10 C ILE A 2 -9.239 -1.643 -1.545 1.00 0.00 C ATOM 11 O ILE A 2 -9.381 -0.585 -0.901 1.00 0.00 O ATOM 12 CB ILE A 2 -10.777 -1.845 -3.534 1.00 0.00 C ATOM 13 CG1 ILE A 2 -12.122 -2.415 -4.023 1.00 0.00 C ATOM 14 CG2 ILE A 2 -9.662 -2.212 -4.522 1.00 0.00 C ATOM 15 CD1 ILE A 2 -12.570 -1.893 -5.375 1.00 0.00 C ATOM 0 H ILE A 2 -11.787 -1.176 -1.044 1.00 0.00 H new ATOM 0 HA ILE A 2 -10.249 -3.441 -2.184 1.00 0.00 H new ATOM 0 HB ILE A 2 -10.852 -0.759 -3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -12.045 -3.501 -4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -12.890 -2.184 -3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -9.915 -1.835 -5.513 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -8.723 -1.766 -4.193 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -9.554 -3.296 -4.563 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -13.525 -2.346 -5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -12.683 -0.810 -5.328 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -11.825 -2.148 -6.129 1.00 0.00 H new ATOM 27 N CYS A 3 -8.084 -2.194 -1.747 1.00 0.00 N ATOM 28 CA CYS A 3 -6.889 -1.601 -1.247 1.00 0.00 C ATOM 29 C CYS A 3 -5.954 -1.249 -2.381 1.00 0.00 C ATOM 30 O CYS A 3 -5.905 -1.929 -3.412 1.00 0.00 O ATOM 31 CB CYS A 3 -6.207 -2.526 -0.245 1.00 0.00 C ATOM 32 SG CYS A 3 -7.318 -3.181 1.067 1.00 0.00 S ATOM 0 H CYS A 3 -7.945 -3.064 -2.261 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.154 -0.679 -0.729 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.769 -3.365 -0.785 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.386 -1.987 0.228 1.00 0.00 H new ATOM 37 N ARG A 4 -5.239 -0.183 -2.195 1.00 0.00 N ATOM 38 CA ARG A 4 -4.292 0.311 -3.153 1.00 0.00 C ATOM 39 C ARG A 4 -2.901 0.114 -2.593 1.00 0.00 C ATOM 40 O ARG A 4 -2.534 0.730 -1.593 1.00 0.00 O ATOM 41 CB ARG A 4 -4.561 1.796 -3.459 1.00 0.00 C ATOM 42 CG ARG A 4 -3.577 2.444 -4.430 1.00 0.00 C ATOM 43 CD ARG A 4 -3.567 1.760 -5.791 1.00 0.00 C ATOM 44 NE ARG A 4 -2.588 2.378 -6.699 1.00 0.00 N ATOM 45 CZ ARG A 4 -1.979 1.755 -7.729 1.00 0.00 C ATOM 46 NH1 ARG A 4 -2.280 0.498 -8.028 1.00 0.00 N ATOM 47 NH2 ARG A 4 -1.077 2.398 -8.456 1.00 0.00 N ATOM 0 H ARG A 4 -5.298 0.385 -1.350 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.387 -0.236 -4.091 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.567 1.891 -3.868 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.544 2.353 -2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.835 3.495 -4.557 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.575 2.411 -4.003 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.332 0.703 -5.666 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.561 1.815 -6.234 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.351 3.357 -6.537 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.976 -0.004 -7.478 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -1.815 0.034 -8.808 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.842 3.366 -8.237 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -0.618 1.925 -9.234 1.00 0.00 H new ATOM 61 N CYS A 5 -2.170 -0.776 -3.186 1.00 0.00 N ATOM 62 CA CYS A 5 -0.853 -1.092 -2.755 1.00 0.00 C ATOM 63 C CYS A 5 0.182 -0.193 -3.390 1.00 0.00 C ATOM 64 O CYS A 5 0.503 -0.314 -4.571 1.00 0.00 O ATOM 65 CB CYS A 5 -0.576 -2.564 -3.000 1.00 0.00 C ATOM 66 SG CYS A 5 -1.695 -3.665 -2.056 1.00 0.00 S ATOM 0 H CYS A 5 -2.481 -1.311 -3.997 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.781 -0.907 -1.683 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.678 -2.776 -4.064 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.457 -2.785 -2.729 1.00 0.00 H new ATOM 71 N ILE A 6 0.636 0.748 -2.610 1.00 0.00 N ATOM 72 CA ILE A 6 1.662 1.658 -2.993 1.00 0.00 C ATOM 73 C ILE A 6 2.973 1.042 -2.568 1.00 0.00 C ATOM 74 O ILE A 6 3.091 0.571 -1.449 1.00 0.00 O ATOM 75 CB ILE A 6 1.488 3.024 -2.269 1.00 0.00 C ATOM 76 CG1 ILE A 6 0.091 3.624 -2.527 1.00 0.00 C ATOM 77 CG2 ILE A 6 2.586 4.012 -2.668 1.00 0.00 C ATOM 78 CD1 ILE A 6 -0.214 3.902 -3.987 1.00 0.00 C ATOM 0 H ILE A 6 0.288 0.902 -1.664 1.00 0.00 H new ATOM 0 HA ILE A 6 1.624 1.837 -4.068 1.00 0.00 H new ATOM 0 HB ILE A 6 1.579 2.836 -1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.662 2.940 -2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.000 4.554 -1.966 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.434 4.956 -2.144 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.560 3.601 -2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.547 4.184 -3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.216 4.322 -4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.513 4.611 -4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.159 2.972 -4.554 1.00 0.00 H new ATOM 90 N CYS A 7 3.920 1.007 -3.430 1.00 0.00 N ATOM 91 CA CYS A 7 5.188 0.411 -3.116 1.00 0.00 C ATOM 92 C CYS A 7 6.301 1.415 -3.289 1.00 0.00 C ATOM 93 O CYS A 7 6.263 2.248 -4.202 1.00 0.00 O ATOM 94 CB CYS A 7 5.432 -0.812 -3.990 1.00 0.00 C ATOM 95 SG CYS A 7 4.174 -2.131 -3.820 1.00 0.00 S ATOM 0 H CYS A 7 3.850 1.386 -4.374 1.00 0.00 H new ATOM 0 HA CYS A 7 5.171 0.092 -2.074 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.470 -0.496 -5.032 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.410 -1.227 -3.747 1.00 0.00 H new ATOM 100 N GLY A 8 7.274 1.362 -2.411 1.00 0.00 N ATOM 101 CA GLY A 8 8.383 2.261 -2.501 1.00 0.00 C ATOM 102 C GLY A 8 9.560 1.559 -3.087 1.00 0.00 C ATOM 103 O GLY A 8 9.536 1.153 -4.255 1.00 0.00 O ATOM 0 H GLY A 8 7.314 0.706 -1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.117 3.120 -3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.633 2.644 -1.512 1.00 0.00 H new ATOM 107 N ARG A 9 10.567 1.372 -2.286 1.00 0.00 N ATOM 108 CA ARG A 9 11.750 0.672 -2.702 1.00 0.00 C ATOM 109 C ARG A 9 11.451 -0.817 -2.861 1.00 0.00 C ATOM 110 O ARG A 9 11.836 -1.414 -3.863 1.00 0.00 O ATOM 111 CB ARG A 9 12.904 0.933 -1.723 1.00 0.00 C ATOM 112 CG ARG A 9 12.602 0.564 -0.286 1.00 0.00 C ATOM 113 CD ARG A 9 13.694 1.010 0.649 1.00 0.00 C ATOM 114 NE ARG A 9 13.371 0.681 2.035 1.00 0.00 N ATOM 115 CZ ARG A 9 12.842 1.533 2.923 1.00 0.00 C ATOM 116 NH1 ARG A 9 12.410 2.735 2.536 1.00 0.00 N ATOM 117 NH2 ARG A 9 12.695 1.159 4.180 1.00 0.00 N ATOM 0 H ARG A 9 10.593 1.702 -1.321 1.00 0.00 H new ATOM 0 HA ARG A 9 12.067 1.048 -3.675 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.778 0.372 -2.053 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.169 1.990 -1.766 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.658 1.019 0.015 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.475 -0.516 -0.207 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.633 0.533 0.369 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.842 2.086 0.553 1.00 0.00 H new ATOM 0 HE ARG A 9 13.563 -0.270 2.351 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.481 3.012 1.557 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.009 3.377 3.219 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.984 0.225 4.471 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.293 1.804 4.860 1.00 0.00 H new ATOM 131 N ARG A 10 10.700 -1.384 -1.897 1.00 0.00 N ATOM 132 CA ARG A 10 10.300 -2.820 -1.896 1.00 0.00 C ATOM 133 C ARG A 10 9.105 -3.059 -1.006 1.00 0.00 C ATOM 134 O ARG A 10 8.235 -3.859 -1.310 1.00 0.00 O ATOM 135 CB ARG A 10 11.441 -3.778 -1.490 1.00 0.00 C ATOM 136 CG ARG A 10 12.548 -3.988 -2.524 1.00 0.00 C ATOM 137 CD ARG A 10 12.138 -4.884 -3.711 1.00 0.00 C ATOM 138 NE ARG A 10 10.978 -4.389 -4.476 1.00 0.00 N ATOM 139 CZ ARG A 10 11.015 -3.889 -5.720 1.00 0.00 C ATOM 140 NH1 ARG A 10 12.173 -3.656 -6.318 1.00 0.00 N ATOM 141 NH2 ARG A 10 9.890 -3.593 -6.342 1.00 0.00 N ATOM 0 H ARG A 10 10.349 -0.865 -1.092 1.00 0.00 H new ATOM 0 HA ARG A 10 10.039 -3.044 -2.930 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.895 -3.400 -0.574 1.00 0.00 H new ATOM 0 HB3 ARG A 10 11.005 -4.749 -1.253 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.862 -3.017 -2.907 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.413 -4.431 -2.030 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.988 -4.983 -4.386 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.911 -5.882 -3.336 1.00 0.00 H new ATOM 0 HE ARG A 10 10.067 -4.431 -4.019 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.047 -3.857 -5.832 1.00 0.00 H new ATOM 0 HH12 ARG A 10 12.191 -3.276 -7.264 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.995 -3.744 -5.877 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.915 -3.213 -7.288 1.00 0.00 H new ATOM 155 N ILE A 11 9.072 -2.373 0.084 1.00 0.00 N ATOM 156 CA ILE A 11 7.976 -2.512 1.035 1.00 0.00 C ATOM 157 C ILE A 11 6.757 -1.804 0.460 1.00 0.00 C ATOM 158 O ILE A 11 6.887 -0.733 -0.183 1.00 0.00 O ATOM 159 CB ILE A 11 8.309 -1.877 2.411 1.00 0.00 C ATOM 160 CG1 ILE A 11 9.707 -2.295 2.887 1.00 0.00 C ATOM 161 CG2 ILE A 11 7.252 -2.271 3.454 1.00 0.00 C ATOM 162 CD1 ILE A 11 10.138 -1.651 4.193 1.00 0.00 C ATOM 0 H ILE A 11 9.788 -1.700 0.358 1.00 0.00 H new ATOM 0 HA ILE A 11 7.794 -3.575 1.192 1.00 0.00 H new ATOM 0 HB ILE A 11 8.299 -0.793 2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.730 -3.378 3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.432 -2.043 2.114 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.501 -1.817 4.413 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.272 -1.920 3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.232 -3.356 3.560 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.136 -1.999 4.458 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.150 -0.567 4.078 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.437 -1.924 4.982 1.00 0.00 H new ATOM 174 N CYS A 12 5.609 -2.347 0.686 1.00 0.00 N ATOM 175 CA CYS A 12 4.409 -1.774 0.154 1.00 0.00 C ATOM 176 C CYS A 12 3.446 -1.427 1.256 1.00 0.00 C ATOM 177 O CYS A 12 3.490 -1.998 2.356 1.00 0.00 O ATOM 178 CB CYS A 12 3.736 -2.687 -0.859 1.00 0.00 C ATOM 179 SG CYS A 12 4.817 -3.223 -2.237 1.00 0.00 S ATOM 0 H CYS A 12 5.471 -3.193 1.239 1.00 0.00 H new ATOM 0 HA CYS A 12 4.700 -0.861 -0.366 1.00 0.00 H new ATOM 0 HB2 CYS A 12 3.364 -3.571 -0.341 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.869 -2.172 -1.273 1.00 0.00 H new ATOM 184 N ARG A 13 2.601 -0.509 0.946 1.00 0.00 N ATOM 185 CA ARG A 13 1.607 0.013 1.822 1.00 0.00 C ATOM 186 C ARG A 13 0.269 -0.065 1.115 1.00 0.00 C ATOM 187 O ARG A 13 0.010 0.679 0.165 1.00 0.00 O ATOM 188 CB ARG A 13 1.959 1.476 2.166 1.00 0.00 C ATOM 189 CG ARG A 13 0.976 2.189 3.089 1.00 0.00 C ATOM 190 CD ARG A 13 0.795 1.443 4.392 1.00 0.00 C ATOM 191 NE ARG A 13 2.068 1.190 5.071 1.00 0.00 N ATOM 192 CZ ARG A 13 2.304 0.141 5.860 1.00 0.00 C ATOM 193 NH1 ARG A 13 1.330 -0.726 6.124 1.00 0.00 N ATOM 194 NH2 ARG A 13 3.509 -0.032 6.395 1.00 0.00 N ATOM 0 H ARG A 13 2.582 -0.076 0.023 1.00 0.00 H new ATOM 0 HA ARG A 13 1.561 -0.559 2.749 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.945 1.494 2.630 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.033 2.041 1.237 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.334 3.198 3.293 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.013 2.288 2.589 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.143 2.018 5.050 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.295 0.494 4.198 1.00 0.00 H new ATOM 0 HE ARG A 13 2.824 1.860 4.931 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.402 -0.589 5.723 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.511 -1.528 6.727 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.254 0.638 6.202 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.689 -0.835 6.998 1.00 0.00 H new ATOM 208 N CYS A 14 -0.535 -1.004 1.509 1.00 0.00 N ATOM 209 CA CYS A 14 -1.822 -1.162 0.939 1.00 0.00 C ATOM 210 C CYS A 14 -2.844 -0.389 1.742 1.00 0.00 C ATOM 211 O CYS A 14 -3.217 -0.778 2.851 1.00 0.00 O ATOM 212 CB CYS A 14 -2.165 -2.642 0.825 1.00 0.00 C ATOM 213 SG CYS A 14 -0.948 -3.611 -0.158 1.00 0.00 S ATOM 0 H CYS A 14 -0.309 -1.681 2.238 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.831 -0.752 -0.071 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.232 -3.068 1.826 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.150 -2.743 0.369 1.00 0.00 H new ATOM 218 N ILE A 15 -3.225 0.748 1.210 1.00 0.00 N ATOM 219 CA ILE A 15 -4.204 1.603 1.833 1.00 0.00 C ATOM 220 C ILE A 15 -5.600 1.176 1.365 1.00 0.00 C ATOM 221 O ILE A 15 -5.864 1.072 0.156 1.00 0.00 O ATOM 222 CB ILE A 15 -3.923 3.123 1.521 1.00 0.00 C ATOM 223 CG1 ILE A 15 -4.945 4.047 2.194 1.00 0.00 C ATOM 224 CG2 ILE A 15 -3.839 3.407 0.025 1.00 0.00 C ATOM 225 CD1 ILE A 15 -4.888 4.023 3.704 1.00 0.00 C ATOM 0 H ILE A 15 -2.861 1.107 0.327 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.142 1.496 2.916 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.944 3.340 1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.780 5.068 1.850 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.946 3.761 1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.644 4.468 -0.134 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.031 2.820 -0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.782 3.136 -0.450 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.640 4.701 4.107 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.084 3.011 4.059 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.899 4.339 4.036 1.00 0.00 H new ATOM 237 N CYS A 16 -6.455 0.875 2.291 1.00 0.00 N ATOM 238 CA CYS A 16 -7.771 0.391 1.964 1.00 0.00 C ATOM 239 C CYS A 16 -8.787 1.496 2.103 1.00 0.00 C ATOM 240 O CYS A 16 -8.849 2.166 3.139 1.00 0.00 O ATOM 241 CB CYS A 16 -8.108 -0.813 2.832 1.00 0.00 C ATOM 242 SG CYS A 16 -6.840 -2.134 2.745 1.00 0.00 S ATOM 0 H CYS A 16 -6.268 0.955 3.291 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.793 0.066 0.924 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -8.217 -0.489 3.867 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -9.071 -1.220 2.522 1.00 0.00 H new ATOM 247 N GLY A 17 -9.553 1.710 1.060 1.00 0.00 N ATOM 248 CA GLY A 17 -10.513 2.767 1.074 1.00 0.00 C ATOM 249 C GLY A 17 -11.846 2.279 1.523 1.00 0.00 C ATOM 250 O GLY A 17 -12.346 2.678 2.588 1.00 0.00 O ATOM 0 H GLY A 17 -9.524 1.165 0.199 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.172 3.562 1.737 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.598 3.198 0.076 1.00 0.00 H new ATOM 254 N ARG A 18 -12.420 1.408 0.738 1.00 0.00 N ATOM 255 CA ARG A 18 -13.703 0.854 1.044 1.00 0.00 C ATOM 256 C ARG A 18 -13.864 -0.470 0.308 1.00 0.00 C ATOM 257 O ARG A 18 -14.439 -0.538 -0.784 1.00 0.00 O ATOM 258 CB ARG A 18 -14.800 1.860 0.670 1.00 0.00 C ATOM 259 CG ARG A 18 -16.196 1.539 1.171 1.00 0.00 C ATOM 260 CD ARG A 18 -17.149 2.666 0.805 1.00 0.00 C ATOM 261 NE ARG A 18 -16.704 3.962 1.359 1.00 0.00 N ATOM 262 CZ ARG A 18 -16.763 5.146 0.719 1.00 0.00 C ATOM 263 NH1 ARG A 18 -17.252 5.228 -0.518 1.00 0.00 N ATOM 264 NH2 ARG A 18 -16.328 6.242 1.317 1.00 0.00 N ATOM 0 H ARG A 18 -12.009 1.065 -0.130 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.790 0.657 2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.514 2.839 1.054 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.835 1.942 -0.416 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -16.542 0.602 0.734 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.181 1.400 2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.224 2.741 -0.280 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -18.147 2.434 1.178 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.320 3.960 2.304 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.587 4.388 -0.991 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.291 6.130 -0.992 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.948 6.191 2.262 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.372 7.139 0.833 1.00 0.00 H new TER 278 ARG A 18