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= -0.0889 (180deg=-0.0889) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.435 0.572 0.014 1.00 0.00 N ATOM 2 CA GLY A 1 -13.975 -0.676 -0.474 1.00 0.00 C ATOM 3 C GLY A 1 -12.997 -1.435 -1.339 1.00 0.00 C ATOM 4 O GLY A 1 -13.290 -2.542 -1.787 1.00 0.00 O ATOM 0 H2 GLY A 1 -14.146 1.052 0.601 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.264 -1.298 0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.881 -0.476 -1.046 1.00 0.00 H new ATOM 8 N ILE A 2 -11.841 -0.851 -1.577 1.00 0.00 N ATOM 9 CA ILE A 2 -10.822 -1.452 -2.415 1.00 0.00 C ATOM 10 C ILE A 2 -9.504 -1.392 -1.668 1.00 0.00 C ATOM 11 O ILE A 2 -9.189 -0.375 -1.020 1.00 0.00 O ATOM 12 CB ILE A 2 -10.647 -0.682 -3.772 1.00 0.00 C ATOM 13 CG1 ILE A 2 -11.980 -0.515 -4.542 1.00 0.00 C ATOM 14 CG2 ILE A 2 -9.592 -1.347 -4.668 1.00 0.00 C ATOM 15 CD1 ILE A 2 -12.627 -1.816 -4.996 1.00 0.00 C ATOM 0 H ILE A 2 -11.580 0.057 -1.194 1.00 0.00 H new ATOM 0 HA ILE A 2 -11.123 -2.475 -2.639 1.00 0.00 H new ATOM 0 HB ILE A 2 -10.298 0.316 -3.507 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -12.685 0.021 -3.907 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -11.801 0.109 -5.417 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -9.499 -0.786 -5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -8.632 -1.358 -4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -9.896 -2.370 -4.890 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -13.554 -1.596 -5.525 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -11.947 -2.348 -5.661 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -12.844 -2.437 -4.127 1.00 0.00 H new ATOM 27 N CYS A 3 -8.753 -2.439 -1.751 1.00 0.00 N ATOM 28 CA CYS A 3 -7.467 -2.501 -1.122 1.00 0.00 C ATOM 29 C CYS A 3 -6.407 -2.467 -2.187 1.00 0.00 C ATOM 30 O CYS A 3 -6.630 -2.918 -3.314 1.00 0.00 O ATOM 31 CB CYS A 3 -7.320 -3.739 -0.244 1.00 0.00 C ATOM 32 SG CYS A 3 -8.608 -3.907 1.048 1.00 0.00 S ATOM 0 H CYS A 3 -9.012 -3.284 -2.260 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.356 -1.640 -0.462 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.342 -4.625 -0.879 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.342 -3.715 0.236 1.00 0.00 H new ATOM 37 N ARG A 4 -5.286 -1.911 -1.859 1.00 0.00 N ATOM 38 CA ARG A 4 -4.217 -1.750 -2.802 1.00 0.00 C ATOM 39 C ARG A 4 -2.901 -1.633 -2.067 1.00 0.00 C ATOM 40 O ARG A 4 -2.838 -1.054 -0.982 1.00 0.00 O ATOM 41 CB ARG A 4 -4.479 -0.511 -3.675 1.00 0.00 C ATOM 42 CG ARG A 4 -4.522 0.810 -2.917 1.00 0.00 C ATOM 43 CD ARG A 4 -5.020 1.937 -3.798 1.00 0.00 C ATOM 44 NE ARG A 4 -6.465 1.821 -4.080 1.00 0.00 N ATOM 45 CZ ARG A 4 -7.060 2.144 -5.241 1.00 0.00 C ATOM 46 NH1 ARG A 4 -6.332 2.509 -6.299 1.00 0.00 N ATOM 47 NH2 ARG A 4 -8.386 2.107 -5.329 1.00 0.00 N ATOM 0 H ARG A 4 -5.081 -1.553 -0.926 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.166 -2.622 -3.454 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -3.702 -0.451 -4.437 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -5.427 -0.645 -4.196 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.172 0.711 -2.048 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.526 1.050 -2.545 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.821 2.892 -3.312 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.466 1.935 -4.737 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.061 1.466 -3.332 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.315 2.545 -6.230 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -6.793 2.752 -7.176 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.943 1.835 -4.519 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -8.846 2.351 -6.206 1.00 0.00 H new ATOM 61 N CYS A 5 -1.884 -2.204 -2.617 1.00 0.00 N ATOM 62 CA CYS A 5 -0.594 -2.158 -2.041 1.00 0.00 C ATOM 63 C CYS A 5 0.240 -1.137 -2.760 1.00 0.00 C ATOM 64 O CYS A 5 0.675 -1.347 -3.894 1.00 0.00 O ATOM 65 CB CYS A 5 0.033 -3.536 -2.088 1.00 0.00 C ATOM 66 SG CYS A 5 -0.987 -4.847 -1.308 1.00 0.00 S ATOM 0 H CYS A 5 -1.932 -2.723 -3.494 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.659 -1.859 -0.995 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.218 -3.804 -3.128 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.002 -3.500 -1.591 1.00 0.00 H new ATOM 71 N ILE A 6 0.385 0.001 -2.142 1.00 0.00 N ATOM 72 CA ILE A 6 1.159 1.062 -2.684 1.00 0.00 C ATOM 73 C ILE A 6 2.602 0.781 -2.355 1.00 0.00 C ATOM 74 O ILE A 6 2.942 0.560 -1.198 1.00 0.00 O ATOM 75 CB ILE A 6 0.754 2.433 -2.089 1.00 0.00 C ATOM 76 CG1 ILE A 6 -0.761 2.681 -2.222 1.00 0.00 C ATOM 77 CG2 ILE A 6 1.535 3.561 -2.756 1.00 0.00 C ATOM 78 CD1 ILE A 6 -1.274 2.710 -3.653 1.00 0.00 C ATOM 0 H ILE A 6 -0.039 0.212 -1.239 1.00 0.00 H new ATOM 0 HA ILE A 6 0.993 1.114 -3.760 1.00 0.00 H new ATOM 0 HB ILE A 6 0.999 2.416 -1.027 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.293 1.903 -1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.004 3.630 -1.743 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.236 4.516 -2.324 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.602 3.409 -2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.326 3.565 -3.826 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.349 2.890 -3.651 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.774 3.507 -4.203 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.067 1.754 -4.133 1.00 0.00 H new ATOM 90 N CYS A 7 3.415 0.741 -3.347 1.00 0.00 N ATOM 91 CA CYS A 7 4.804 0.437 -3.178 1.00 0.00 C ATOM 92 C CYS A 7 5.655 1.626 -3.499 1.00 0.00 C ATOM 93 O CYS A 7 5.299 2.444 -4.359 1.00 0.00 O ATOM 94 CB CYS A 7 5.205 -0.730 -4.063 1.00 0.00 C ATOM 95 SG CYS A 7 4.378 -2.297 -3.669 1.00 0.00 S ATOM 0 H CYS A 7 3.140 0.919 -4.313 1.00 0.00 H new ATOM 0 HA CYS A 7 4.961 0.165 -2.134 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.991 -0.472 -5.100 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.283 -0.874 -3.986 1.00 0.00 H new ATOM 100 N GLY A 8 6.749 1.742 -2.807 1.00 0.00 N ATOM 101 CA GLY A 8 7.674 2.795 -3.064 1.00 0.00 C ATOM 102 C GLY A 8 8.882 2.246 -3.734 1.00 0.00 C ATOM 103 O GLY A 8 8.844 1.902 -4.927 1.00 0.00 O ATOM 0 H GLY A 8 7.021 1.111 -2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.210 3.554 -3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.954 3.283 -2.130 1.00 0.00 H new ATOM 107 N ARG A 9 9.940 2.140 -2.989 1.00 0.00 N ATOM 108 CA ARG A 9 11.146 1.541 -3.475 1.00 0.00 C ATOM 109 C ARG A 9 11.111 0.038 -3.225 1.00 0.00 C ATOM 110 O ARG A 9 11.079 -0.739 -4.164 1.00 0.00 O ATOM 111 CB ARG A 9 12.387 2.212 -2.869 1.00 0.00 C ATOM 112 CG ARG A 9 12.584 3.650 -3.340 1.00 0.00 C ATOM 113 CD ARG A 9 13.812 4.307 -2.725 1.00 0.00 C ATOM 114 NE ARG A 9 13.695 4.469 -1.264 1.00 0.00 N ATOM 115 CZ ARG A 9 14.566 5.127 -0.482 1.00 0.00 C ATOM 116 NH1 ARG A 9 15.657 5.676 -0.994 1.00 0.00 N ATOM 117 NH2 ARG A 9 14.332 5.231 0.812 1.00 0.00 N ATOM 0 H ARG A 9 9.992 2.467 -2.024 1.00 0.00 H new ATOM 0 HA ARG A 9 11.214 1.698 -4.551 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.304 2.201 -1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.270 1.628 -3.127 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.676 3.663 -4.426 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.699 4.235 -3.088 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.693 3.706 -2.951 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.966 5.284 -3.184 1.00 0.00 H new ATOM 0 HE ARG A 9 12.885 4.046 -0.810 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.844 5.602 -1.994 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.310 6.173 -0.388 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.493 4.813 1.214 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.990 5.730 1.411 1.00 0.00 H new ATOM 131 N ARG A 10 11.081 -0.373 -1.974 1.00 0.00 N ATOM 132 CA ARG A 10 10.973 -1.801 -1.655 1.00 0.00 C ATOM 133 C ARG A 10 9.869 -2.081 -0.664 1.00 0.00 C ATOM 134 O ARG A 10 9.451 -3.222 -0.495 1.00 0.00 O ATOM 135 CB ARG A 10 12.283 -2.384 -1.145 1.00 0.00 C ATOM 136 CG ARG A 10 13.403 -2.374 -2.153 1.00 0.00 C ATOM 137 CD ARG A 10 14.643 -3.053 -1.594 1.00 0.00 C ATOM 138 NE ARG A 10 14.419 -4.484 -1.288 1.00 0.00 N ATOM 139 CZ ARG A 10 15.186 -5.227 -0.469 1.00 0.00 C ATOM 140 NH1 ARG A 10 16.153 -4.662 0.234 1.00 0.00 N ATOM 141 NH2 ARG A 10 14.951 -6.535 -0.332 1.00 0.00 N ATOM 0 H ARG A 10 11.129 0.244 -1.163 1.00 0.00 H new ATOM 0 HA ARG A 10 10.726 -2.293 -2.596 1.00 0.00 H new ATOM 0 HB2 ARG A 10 12.598 -1.823 -0.265 1.00 0.00 H new ATOM 0 HB3 ARG A 10 12.109 -3.411 -0.824 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.084 -2.883 -3.062 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.640 -1.346 -2.429 1.00 0.00 H new ATOM 0 HD2 ARG A 10 15.458 -2.962 -2.312 1.00 0.00 H new ATOM 0 HD3 ARG A 10 14.958 -2.536 -0.687 1.00 0.00 H new ATOM 0 HE ARG A 10 13.623 -4.942 -1.732 1.00 0.00 H new ATOM 0 HH11 ARG A 10 16.320 -3.659 0.157 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.732 -5.229 0.853 1.00 0.00 H new ATOM 0 HH21 ARG A 10 14.189 -6.973 -0.849 1.00 0.00 H new ATOM 0 HH22 ARG A 10 15.534 -7.096 0.289 1.00 0.00 H new ATOM 155 N ILE A 11 9.406 -1.059 -0.021 1.00 0.00 N ATOM 156 CA ILE A 11 8.364 -1.213 0.965 1.00 0.00 C ATOM 157 C ILE A 11 7.032 -0.944 0.295 1.00 0.00 C ATOM 158 O ILE A 11 6.943 -0.137 -0.658 1.00 0.00 O ATOM 159 CB ILE A 11 8.555 -0.237 2.176 1.00 0.00 C ATOM 160 CG1 ILE A 11 9.963 -0.363 2.789 1.00 0.00 C ATOM 161 CG2 ILE A 11 7.485 -0.443 3.262 1.00 0.00 C ATOM 162 CD1 ILE A 11 10.289 -1.734 3.354 1.00 0.00 C ATOM 0 H ILE A 11 9.729 -0.101 -0.155 1.00 0.00 H new ATOM 0 HA ILE A 11 8.403 -2.228 1.360 1.00 0.00 H new ATOM 0 HB ILE A 11 8.439 0.771 1.778 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.700 -0.115 2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.066 0.376 3.583 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.658 0.255 4.081 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.497 -0.266 2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.541 -1.464 3.638 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.299 -1.728 3.763 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.579 -1.980 4.143 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.223 -2.479 2.561 1.00 0.00 H new ATOM 174 N CYS A 12 6.032 -1.611 0.764 1.00 0.00 N ATOM 175 CA CYS A 12 4.701 -1.468 0.261 1.00 0.00 C ATOM 176 C CYS A 12 3.746 -1.424 1.424 1.00 0.00 C ATOM 177 O CYS A 12 4.056 -1.911 2.531 1.00 0.00 O ATOM 178 CB CYS A 12 4.294 -2.621 -0.656 1.00 0.00 C ATOM 179 SG CYS A 12 5.413 -2.965 -2.061 1.00 0.00 S ATOM 0 H CYS A 12 6.115 -2.286 1.524 1.00 0.00 H new ATOM 0 HA CYS A 12 4.667 -0.548 -0.323 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.211 -3.526 -0.054 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.301 -2.410 -1.052 1.00 0.00 H new ATOM 184 N ARG A 13 2.618 -0.838 1.188 1.00 0.00 N ATOM 185 CA ARG A 13 1.569 -0.720 2.162 1.00 0.00 C ATOM 186 C ARG A 13 0.266 -1.105 1.533 1.00 0.00 C ATOM 187 O ARG A 13 -0.205 -0.441 0.600 1.00 0.00 O ATOM 188 CB ARG A 13 1.466 0.708 2.707 1.00 0.00 C ATOM 189 CG ARG A 13 2.697 1.197 3.435 1.00 0.00 C ATOM 190 CD ARG A 13 2.999 0.357 4.660 1.00 0.00 C ATOM 191 NE ARG A 13 4.252 0.765 5.284 1.00 0.00 N ATOM 192 CZ ARG A 13 4.744 0.280 6.419 1.00 0.00 C ATOM 193 NH1 ARG A 13 4.048 -0.588 7.140 1.00 0.00 N ATOM 194 NH2 ARG A 13 5.924 0.684 6.836 1.00 0.00 N ATOM 0 H ARG A 13 2.389 -0.414 0.289 1.00 0.00 H new ATOM 0 HA ARG A 13 1.801 -1.385 2.994 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.258 1.385 1.878 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.614 0.763 3.385 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.552 1.174 2.759 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.554 2.236 3.733 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.185 0.451 5.378 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.056 -0.694 4.378 1.00 0.00 H new ATOM 0 HE ARG A 13 4.797 1.484 4.809 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.126 -0.889 6.825 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.435 -0.954 8.010 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.453 1.364 6.289 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.310 0.318 7.706 1.00 0.00 H new ATOM 208 N CYS A 14 -0.286 -2.177 1.992 1.00 0.00 N ATOM 209 CA CYS A 14 -1.553 -2.628 1.544 1.00 0.00 C ATOM 210 C CYS A 14 -2.613 -1.978 2.378 1.00 0.00 C ATOM 211 O CYS A 14 -2.852 -2.344 3.532 1.00 0.00 O ATOM 212 CB CYS A 14 -1.622 -4.137 1.595 1.00 0.00 C ATOM 213 SG CYS A 14 -0.318 -4.959 0.610 1.00 0.00 S ATOM 0 H CYS A 14 0.141 -2.773 2.702 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.714 -2.346 0.504 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.542 -4.462 2.632 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.598 -4.461 1.234 1.00 0.00 H new ATOM 218 N ILE A 15 -3.176 -0.962 1.815 1.00 0.00 N ATOM 219 CA ILE A 15 -4.152 -0.146 2.462 1.00 0.00 C ATOM 220 C ILE A 15 -5.499 -0.394 1.844 1.00 0.00 C ATOM 221 O ILE A 15 -5.589 -0.821 0.684 1.00 0.00 O ATOM 222 CB ILE A 15 -3.791 1.356 2.309 1.00 0.00 C ATOM 223 CG1 ILE A 15 -3.658 1.721 0.811 1.00 0.00 C ATOM 224 CG2 ILE A 15 -2.499 1.668 3.063 1.00 0.00 C ATOM 225 CD1 ILE A 15 -3.381 3.175 0.535 1.00 0.00 C ATOM 0 H ILE A 15 -2.964 -0.666 0.862 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.174 -0.400 3.522 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.590 1.959 2.739 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.856 1.124 0.377 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.578 1.438 0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.257 2.724 2.948 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.631 1.439 4.121 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.687 1.063 2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.304 3.333 -0.541 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.193 3.782 0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.444 3.464 1.012 1.00 0.00 H new ATOM 237 N CYS A 16 -6.523 -0.160 2.586 1.00 0.00 N ATOM 238 CA CYS A 16 -7.849 -0.285 2.081 1.00 0.00 C ATOM 239 C CYS A 16 -8.514 1.053 2.211 1.00 0.00 C ATOM 240 O CYS A 16 -8.684 1.567 3.320 1.00 0.00 O ATOM 241 CB CYS A 16 -8.607 -1.395 2.803 1.00 0.00 C ATOM 242 SG CYS A 16 -7.789 -3.037 2.699 1.00 0.00 S ATOM 0 H CYS A 16 -6.467 0.125 3.564 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.838 -0.575 1.030 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -8.721 -1.122 3.852 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -9.610 -1.471 2.382 1.00 0.00 H new ATOM 247 N GLY A 17 -8.841 1.639 1.087 1.00 0.00 N ATOM 248 CA GLY A 17 -9.366 2.970 1.082 1.00 0.00 C ATOM 249 C GLY A 17 -10.855 2.982 1.162 1.00 0.00 C ATOM 250 O GLY A 17 -11.431 3.078 2.250 1.00 0.00 O ATOM 0 H GLY A 17 -8.751 1.210 0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.953 3.526 1.924 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.047 3.482 0.174 1.00 0.00 H new ATOM 254 N ARG A 18 -11.494 2.859 0.028 1.00 0.00 N ATOM 255 CA ARG A 18 -12.930 2.891 -0.022 1.00 0.00 C ATOM 256 C ARG A 18 -13.475 1.667 -0.705 1.00 0.00 C ATOM 257 O ARG A 18 -13.821 1.690 -1.883 1.00 0.00 O ATOM 258 CB ARG A 18 -13.444 4.187 -0.671 1.00 0.00 C ATOM 259 CG ARG A 18 -13.067 5.444 0.106 1.00 0.00 C ATOM 260 CD ARG A 18 -13.693 5.429 1.488 1.00 0.00 C ATOM 261 NE ARG A 18 -13.299 6.561 2.310 1.00 0.00 N ATOM 262 CZ ARG A 18 -13.494 6.630 3.628 1.00 0.00 C ATOM 263 NH1 ARG A 18 -14.095 5.623 4.264 1.00 0.00 N ATOM 264 NH2 ARG A 18 -13.090 7.688 4.306 1.00 0.00 N ATOM 0 H ARG A 18 -11.039 2.735 -0.877 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.299 2.883 1.004 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.045 4.261 -1.683 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.529 4.135 -0.759 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.983 5.512 0.193 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.399 6.328 -0.439 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.778 5.422 1.388 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.414 4.506 1.996 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.846 7.351 1.851 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.404 4.803 3.743 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.245 5.673 5.272 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.627 8.457 3.822 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.241 7.736 5.314 1.00 0.00 H new TER 278 ARG A 18