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= -0.227 (180deg=-0.227) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.131 0.599 -0.379 1.00 0.00 N ATOM 2 CA GLY A 1 -13.916 -0.589 -0.658 1.00 0.00 C ATOM 3 C GLY A 1 -13.049 -1.738 -1.096 1.00 0.00 C ATOM 4 O GLY A 1 -13.455 -2.908 -1.035 1.00 0.00 O ATOM 0 H2 GLY A 1 -13.762 1.370 -0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.475 -0.874 0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.647 -0.368 -1.435 1.00 0.00 H new ATOM 8 N ILE A 2 -11.855 -1.408 -1.518 1.00 0.00 N ATOM 9 CA ILE A 2 -10.885 -2.356 -2.012 1.00 0.00 C ATOM 10 C ILE A 2 -9.533 -1.835 -1.572 1.00 0.00 C ATOM 11 O ILE A 2 -9.354 -0.605 -1.463 1.00 0.00 O ATOM 12 CB ILE A 2 -10.902 -2.462 -3.586 1.00 0.00 C ATOM 13 CG1 ILE A 2 -12.321 -2.746 -4.123 1.00 0.00 C ATOM 14 CG2 ILE A 2 -9.945 -3.556 -4.060 1.00 0.00 C ATOM 15 CD1 ILE A 2 -12.427 -2.773 -5.638 1.00 0.00 C ATOM 0 H ILE A 2 -11.520 -0.445 -1.528 1.00 0.00 H new ATOM 0 HA ILE A 2 -11.109 -3.350 -1.624 1.00 0.00 H new ATOM 0 HB ILE A 2 -10.575 -1.499 -3.979 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -12.659 -3.705 -3.731 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -13.001 -1.986 -3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -9.970 -3.615 -5.148 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -8.932 -3.321 -3.732 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -10.249 -4.514 -3.638 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -13.458 -2.979 -5.927 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -12.123 -1.807 -6.041 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -11.776 -3.553 -6.034 1.00 0.00 H new ATOM 27 N CYS A 3 -8.616 -2.709 -1.287 1.00 0.00 N ATOM 28 CA CYS A 3 -7.310 -2.300 -0.859 1.00 0.00 C ATOM 29 C CYS A 3 -6.382 -2.165 -2.050 1.00 0.00 C ATOM 30 O CYS A 3 -6.471 -2.933 -3.026 1.00 0.00 O ATOM 31 CB CYS A 3 -6.727 -3.288 0.133 1.00 0.00 C ATOM 32 SG CYS A 3 -7.822 -3.674 1.549 1.00 0.00 S ATOM 0 H CYS A 3 -8.749 -3.719 -1.343 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.408 -1.332 -0.368 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.491 -4.214 -0.391 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.787 -2.889 0.514 1.00 0.00 H new ATOM 37 N ARG A 4 -5.524 -1.196 -1.973 1.00 0.00 N ATOM 38 CA ARG A 4 -4.537 -0.922 -2.988 1.00 0.00 C ATOM 39 C ARG A 4 -3.160 -1.000 -2.354 1.00 0.00 C ATOM 40 O ARG A 4 -2.901 -0.360 -1.333 1.00 0.00 O ATOM 41 CB ARG A 4 -4.743 0.469 -3.615 1.00 0.00 C ATOM 42 CG ARG A 4 -3.692 0.809 -4.666 1.00 0.00 C ATOM 43 CD ARG A 4 -3.787 2.247 -5.151 1.00 0.00 C ATOM 44 NE ARG A 4 -4.975 2.532 -5.956 1.00 0.00 N ATOM 45 CZ ARG A 4 -5.201 3.714 -6.553 1.00 0.00 C ATOM 46 NH1 ARG A 4 -4.345 4.717 -6.396 1.00 0.00 N ATOM 47 NH2 ARG A 4 -6.267 3.885 -7.309 1.00 0.00 N ATOM 0 H ARG A 4 -5.484 -0.552 -1.183 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.636 -1.660 -3.784 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.732 0.514 -4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.720 1.223 -2.828 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.700 0.636 -4.250 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.804 0.136 -5.516 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.780 2.911 -4.287 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.899 2.480 -5.739 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.669 1.793 -6.070 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.512 4.591 -5.820 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.520 5.613 -6.851 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -6.925 3.118 -7.443 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -6.434 4.785 -7.760 1.00 0.00 H new ATOM 61 N CYS A 5 -2.304 -1.784 -2.919 1.00 0.00 N ATOM 62 CA CYS A 5 -0.993 -1.953 -2.415 1.00 0.00 C ATOM 63 C CYS A 5 -0.028 -1.016 -3.112 1.00 0.00 C ATOM 64 O CYS A 5 0.270 -1.158 -4.300 1.00 0.00 O ATOM 65 CB CYS A 5 -0.600 -3.419 -2.511 1.00 0.00 C ATOM 66 SG CYS A 5 -1.799 -4.545 -1.664 1.00 0.00 S ATOM 0 H CYS A 5 -2.504 -2.331 -3.756 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.955 -1.682 -1.360 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.524 -3.701 -3.561 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.389 -3.554 -2.073 1.00 0.00 H new ATOM 71 N ILE A 6 0.387 -0.012 -2.370 1.00 0.00 N ATOM 72 CA ILE A 6 1.294 0.993 -2.828 1.00 0.00 C ATOM 73 C ILE A 6 2.698 0.510 -2.579 1.00 0.00 C ATOM 74 O ILE A 6 2.985 0.003 -1.504 1.00 0.00 O ATOM 75 CB ILE A 6 1.096 2.327 -2.043 1.00 0.00 C ATOM 76 CG1 ILE A 6 -0.347 2.832 -2.146 1.00 0.00 C ATOM 77 CG2 ILE A 6 2.080 3.412 -2.504 1.00 0.00 C ATOM 78 CD1 ILE A 6 -0.788 3.160 -3.551 1.00 0.00 C ATOM 0 H ILE A 6 0.088 0.123 -1.404 1.00 0.00 H new ATOM 0 HA ILE A 6 1.111 1.174 -3.887 1.00 0.00 H new ATOM 0 HB ILE A 6 1.305 2.109 -0.996 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.015 2.075 -1.735 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.454 3.722 -1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.909 4.325 -1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.102 3.069 -2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.928 3.614 -3.564 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.820 3.510 -3.536 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.146 3.940 -3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.717 2.267 -4.172 1.00 0.00 H new ATOM 90 N CYS A 7 3.540 0.642 -3.546 1.00 0.00 N ATOM 91 CA CYS A 7 4.923 0.281 -3.388 1.00 0.00 C ATOM 92 C CYS A 7 5.813 1.468 -3.599 1.00 0.00 C ATOM 93 O CYS A 7 5.570 2.301 -4.488 1.00 0.00 O ATOM 94 CB CYS A 7 5.327 -0.850 -4.316 1.00 0.00 C ATOM 95 SG CYS A 7 4.573 -2.457 -3.921 1.00 0.00 S ATOM 0 H CYS A 7 3.299 1.001 -4.470 1.00 0.00 H new ATOM 0 HA CYS A 7 5.044 -0.073 -2.364 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.059 -0.578 -5.337 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.412 -0.955 -4.289 1.00 0.00 H new ATOM 100 N GLY A 8 6.808 1.567 -2.777 1.00 0.00 N ATOM 101 CA GLY A 8 7.762 2.622 -2.890 1.00 0.00 C ATOM 102 C GLY A 8 8.998 2.123 -3.562 1.00 0.00 C ATOM 103 O GLY A 8 9.002 1.866 -4.765 1.00 0.00 O ATOM 0 H GLY A 8 6.982 0.919 -2.009 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.337 3.448 -3.460 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.007 3.009 -1.901 1.00 0.00 H new ATOM 107 N ARG A 9 10.036 1.970 -2.799 1.00 0.00 N ATOM 108 CA ARG A 9 11.268 1.441 -3.309 1.00 0.00 C ATOM 109 C ARG A 9 11.393 -0.033 -2.964 1.00 0.00 C ATOM 110 O ARG A 9 11.430 -0.885 -3.846 1.00 0.00 O ATOM 111 CB ARG A 9 12.451 2.236 -2.781 1.00 0.00 C ATOM 112 CG ARG A 9 12.427 3.691 -3.199 1.00 0.00 C ATOM 113 CD ARG A 9 13.622 4.443 -2.668 1.00 0.00 C ATOM 114 NE ARG A 9 13.534 5.875 -2.962 1.00 0.00 N ATOM 115 CZ ARG A 9 14.211 6.835 -2.323 1.00 0.00 C ATOM 116 NH1 ARG A 9 15.047 6.525 -1.325 1.00 0.00 N ATOM 117 NH2 ARG A 9 14.050 8.102 -2.680 1.00 0.00 N ATOM 0 H ARG A 9 10.056 2.207 -1.807 1.00 0.00 H new ATOM 0 HA ARG A 9 11.266 1.533 -4.395 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.463 2.178 -1.693 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.375 1.778 -3.135 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.409 3.757 -4.287 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.512 4.159 -2.836 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.695 4.296 -1.590 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.533 4.036 -3.107 1.00 0.00 H new ATOM 0 HE ARG A 9 12.907 6.163 -3.713 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.171 5.551 -1.047 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.560 7.262 -0.842 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.412 8.341 -3.439 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.564 8.838 -2.195 1.00 0.00 H new ATOM 131 N ARG A 10 11.431 -0.340 -1.683 1.00 0.00 N ATOM 132 CA ARG A 10 11.542 -1.729 -1.247 1.00 0.00 C ATOM 133 C ARG A 10 10.435 -2.113 -0.288 1.00 0.00 C ATOM 134 O ARG A 10 10.321 -3.268 0.113 1.00 0.00 O ATOM 135 CB ARG A 10 12.921 -2.031 -0.639 1.00 0.00 C ATOM 136 CG ARG A 10 13.323 -1.142 0.520 1.00 0.00 C ATOM 137 CD ARG A 10 14.683 -1.545 1.061 1.00 0.00 C ATOM 138 NE ARG A 10 15.155 -0.618 2.089 1.00 0.00 N ATOM 139 CZ ARG A 10 16.147 -0.855 2.961 1.00 0.00 C ATOM 140 NH1 ARG A 10 16.802 -2.015 2.959 1.00 0.00 N ATOM 141 NH2 ARG A 10 16.486 0.084 3.828 1.00 0.00 N ATOM 0 H ARG A 10 11.387 0.343 -0.927 1.00 0.00 H new ATOM 0 HA ARG A 10 11.432 -2.343 -2.141 1.00 0.00 H new ATOM 0 HB2 ARG A 10 12.933 -3.068 -0.302 1.00 0.00 H new ATOM 0 HB3 ARG A 10 13.673 -1.942 -1.423 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.350 -0.102 0.195 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.577 -1.209 1.312 1.00 0.00 H new ATOM 0 HD2 ARG A 10 14.625 -2.551 1.477 1.00 0.00 H new ATOM 0 HD3 ARG A 10 15.404 -1.579 0.244 1.00 0.00 H new ATOM 0 HE ARG A 10 14.690 0.288 2.148 1.00 0.00 H new ATOM 0 HH11 ARG A 10 16.552 -2.741 2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 10 17.553 -2.178 3.629 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.995 0.978 3.830 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.239 -0.086 4.495 1.00 0.00 H new ATOM 155 N ILE A 11 9.630 -1.157 0.088 1.00 0.00 N ATOM 156 CA ILE A 11 8.532 -1.426 0.984 1.00 0.00 C ATOM 157 C ILE A 11 7.230 -1.149 0.243 1.00 0.00 C ATOM 158 O ILE A 11 7.186 -0.297 -0.665 1.00 0.00 O ATOM 159 CB ILE A 11 8.576 -0.539 2.278 1.00 0.00 C ATOM 160 CG1 ILE A 11 9.974 -0.541 2.912 1.00 0.00 C ATOM 161 CG2 ILE A 11 7.555 -1.041 3.310 1.00 0.00 C ATOM 162 CD1 ILE A 11 10.088 0.335 4.149 1.00 0.00 C ATOM 0 H ILE A 11 9.711 -0.185 -0.210 1.00 0.00 H new ATOM 0 HA ILE A 11 8.605 -2.467 1.300 1.00 0.00 H new ATOM 0 HB ILE A 11 8.327 0.480 1.981 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.241 -1.564 3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.699 -0.204 2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.600 -0.414 4.201 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.553 -0.994 2.883 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.787 -2.071 3.580 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.104 0.282 4.540 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.853 1.367 3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.388 -0.015 4.908 1.00 0.00 H new ATOM 174 N CYS A 12 6.211 -1.866 0.600 1.00 0.00 N ATOM 175 CA CYS A 12 4.893 -1.690 0.055 1.00 0.00 C ATOM 176 C CYS A 12 3.915 -1.650 1.212 1.00 0.00 C ATOM 177 O CYS A 12 4.300 -1.922 2.351 1.00 0.00 O ATOM 178 CB CYS A 12 4.518 -2.834 -0.899 1.00 0.00 C ATOM 179 SG CYS A 12 5.652 -3.077 -2.314 1.00 0.00 S ATOM 0 H CYS A 12 6.270 -2.610 1.296 1.00 0.00 H new ATOM 0 HA CYS A 12 4.863 -0.764 -0.519 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.473 -3.761 -0.328 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.516 -2.649 -1.286 1.00 0.00 H new ATOM 184 N ARG A 13 2.692 -1.268 0.947 1.00 0.00 N ATOM 185 CA ARG A 13 1.648 -1.250 1.955 1.00 0.00 C ATOM 186 C ARG A 13 0.289 -1.260 1.288 1.00 0.00 C ATOM 187 O ARG A 13 0.067 -0.558 0.300 1.00 0.00 O ATOM 188 CB ARG A 13 1.763 -0.035 2.895 1.00 0.00 C ATOM 189 CG ARG A 13 1.632 1.320 2.214 1.00 0.00 C ATOM 190 CD ARG A 13 1.619 2.445 3.228 1.00 0.00 C ATOM 191 NE ARG A 13 0.546 2.269 4.217 1.00 0.00 N ATOM 192 CZ ARG A 13 -0.308 3.212 4.628 1.00 0.00 C ATOM 193 NH1 ARG A 13 -0.159 4.480 4.244 1.00 0.00 N ATOM 194 NH2 ARG A 13 -1.284 2.883 5.463 1.00 0.00 N ATOM 0 H ARG A 13 2.385 -0.959 0.025 1.00 0.00 H new ATOM 0 HA ARG A 13 1.769 -2.145 2.565 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.994 -0.115 3.663 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.726 -0.078 3.403 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.460 1.462 1.520 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.715 1.347 1.626 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.581 2.487 3.738 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.489 3.397 2.714 1.00 0.00 H new ATOM 0 HE ARG A 13 0.443 1.341 4.628 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.613 4.740 3.630 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.817 5.191 4.564 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.377 1.919 5.785 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.942 3.593 5.784 1.00 0.00 H new ATOM 208 N CYS A 14 -0.587 -2.056 1.793 1.00 0.00 N ATOM 209 CA CYS A 14 -1.901 -2.157 1.272 1.00 0.00 C ATOM 210 C CYS A 14 -2.852 -1.267 2.037 1.00 0.00 C ATOM 211 O CYS A 14 -3.157 -1.490 3.212 1.00 0.00 O ATOM 212 CB CYS A 14 -2.327 -3.608 1.245 1.00 0.00 C ATOM 213 SG CYS A 14 -1.174 -4.672 0.280 1.00 0.00 S ATOM 0 H CYS A 14 -0.406 -2.664 2.592 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.920 -1.798 0.243 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.391 -3.982 2.267 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.326 -3.681 0.816 1.00 0.00 H new ATOM 218 N ILE A 15 -3.270 -0.229 1.371 1.00 0.00 N ATOM 219 CA ILE A 15 -4.151 0.764 1.913 1.00 0.00 C ATOM 220 C ILE A 15 -5.575 0.377 1.585 1.00 0.00 C ATOM 221 O ILE A 15 -5.884 0.062 0.434 1.00 0.00 O ATOM 222 CB ILE A 15 -3.825 2.154 1.305 1.00 0.00 C ATOM 223 CG1 ILE A 15 -2.365 2.520 1.602 1.00 0.00 C ATOM 224 CG2 ILE A 15 -4.776 3.230 1.838 1.00 0.00 C ATOM 225 CD1 ILE A 15 -1.918 3.827 0.997 1.00 0.00 C ATOM 0 H ILE A 15 -2.998 -0.045 0.405 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.022 0.822 2.994 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.965 2.102 0.225 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.227 2.567 2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.720 1.723 1.233 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.522 4.192 1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.802 2.970 1.578 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.681 3.295 2.922 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.875 4.010 1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.021 3.780 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.535 4.637 1.385 1.00 0.00 H new ATOM 237 N CYS A 16 -6.410 0.368 2.572 1.00 0.00 N ATOM 238 CA CYS A 16 -7.788 -0.009 2.405 1.00 0.00 C ATOM 239 C CYS A 16 -8.642 1.176 2.778 1.00 0.00 C ATOM 240 O CYS A 16 -8.197 2.037 3.550 1.00 0.00 O ATOM 241 CB CYS A 16 -8.115 -1.200 3.314 1.00 0.00 C ATOM 242 SG CYS A 16 -7.008 -2.640 3.094 1.00 0.00 S ATOM 0 H CYS A 16 -6.160 0.623 3.527 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.980 -0.302 1.373 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -8.066 -0.874 4.353 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -9.142 -1.514 3.127 1.00 0.00 H new ATOM 247 N GLY A 17 -9.832 1.262 2.238 1.00 0.00 N ATOM 248 CA GLY A 17 -10.677 2.358 2.589 1.00 0.00 C ATOM 249 C GLY A 17 -11.689 2.677 1.537 1.00 0.00 C ATOM 250 O GLY A 17 -12.809 3.098 1.853 1.00 0.00 O ATOM 0 H GLY A 17 -10.224 0.599 1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.191 2.128 3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.062 3.239 2.773 1.00 0.00 H new ATOM 254 N ARG A 18 -11.326 2.462 0.291 1.00 0.00 N ATOM 255 CA ARG A 18 -12.201 2.804 -0.824 1.00 0.00 C ATOM 256 C ARG A 18 -13.034 1.579 -1.254 1.00 0.00 C ATOM 257 O ARG A 18 -13.567 1.526 -2.357 1.00 0.00 O ATOM 258 CB ARG A 18 -11.354 3.332 -1.992 1.00 0.00 C ATOM 259 CG ARG A 18 -12.124 4.202 -2.968 1.00 0.00 C ATOM 260 CD ARG A 18 -11.243 4.701 -4.100 1.00 0.00 C ATOM 261 NE ARG A 18 -10.886 3.640 -5.050 1.00 0.00 N ATOM 262 CZ ARG A 18 -10.329 3.848 -6.247 1.00 0.00 C ATOM 263 NH1 ARG A 18 -9.896 5.052 -6.586 1.00 0.00 N ATOM 264 NH2 ARG A 18 -10.178 2.838 -7.095 1.00 0.00 N ATOM 0 H ARG A 18 -10.433 2.052 0.018 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.896 3.583 -0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.518 3.905 -1.591 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.930 2.485 -2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.958 3.634 -3.381 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.550 5.053 -2.437 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.759 5.500 -4.632 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.332 5.132 -3.683 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.077 2.676 -4.777 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.986 5.829 -5.932 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.472 5.202 -7.501 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.487 1.902 -6.833 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.753 2.998 -8.008 1.00 0.00 H new TER 278 ARG A 18