USER MOD reduce.3.24.130724 H: found=0, std=0, add=137, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 137 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= -0.39 (180deg=-0.39) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.071 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.373 -1.313 2.178 1.00 0.00 N ATOM 2 CA GLY A 1 -12.485 -2.756 2.233 1.00 0.00 C ATOM 3 C GLY A 1 -11.863 -3.397 0.999 1.00 0.00 C ATOM 4 O GLY A 1 -12.047 -4.587 0.727 1.00 0.00 O ATOM 0 H2 GLY A 1 -12.804 -0.899 3.029 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.991 -3.129 3.130 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.535 -3.041 2.306 1.00 0.00 H new ATOM 8 N ASP A 2 -11.139 -2.594 0.261 1.00 0.00 N ATOM 9 CA ASP A 2 -10.461 -2.991 -0.951 1.00 0.00 C ATOM 10 C ASP A 2 -8.972 -2.914 -0.711 1.00 0.00 C ATOM 11 O ASP A 2 -8.451 -1.863 -0.311 1.00 0.00 O ATOM 12 CB ASP A 2 -10.877 -2.046 -2.096 1.00 0.00 C ATOM 13 CG ASP A 2 -10.112 -2.248 -3.389 1.00 0.00 C ATOM 14 OD1 ASP A 2 -10.184 -3.345 -3.976 1.00 0.00 O ATOM 15 OD2 ASP A 2 -9.481 -1.284 -3.868 1.00 0.00 O ATOM 0 H ASP A 2 -10.999 -1.611 0.494 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.729 -4.010 -1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.940 -2.181 -2.293 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.742 -1.016 -1.766 1.00 0.00 H new ATOM 20 N CYS A 3 -8.292 -4.008 -0.864 1.00 0.00 N ATOM 21 CA CYS A 3 -6.879 -3.986 -0.647 1.00 0.00 C ATOM 22 C CYS A 3 -6.144 -3.716 -1.904 1.00 0.00 C ATOM 23 O CYS A 3 -6.397 -4.312 -2.956 1.00 0.00 O ATOM 24 CB CYS A 3 -6.355 -5.204 0.055 1.00 0.00 C ATOM 25 SG CYS A 3 -7.131 -5.515 1.687 1.00 0.00 S ATOM 0 H CYS A 3 -8.683 -4.911 -1.133 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.696 -3.158 0.037 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.512 -6.074 -0.582 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.279 -5.098 0.190 1.00 0.00 H new ATOM 30 N ARG A 4 -5.259 -2.807 -1.789 1.00 0.00 N ATOM 31 CA ARG A 4 -4.484 -2.310 -2.892 1.00 0.00 C ATOM 32 C ARG A 4 -3.025 -2.456 -2.563 1.00 0.00 C ATOM 33 O ARG A 4 -2.574 -2.025 -1.496 1.00 0.00 O ATOM 34 CB ARG A 4 -4.830 -0.840 -3.124 1.00 0.00 C ATOM 35 CG ARG A 4 -6.310 -0.617 -3.351 1.00 0.00 C ATOM 36 CD ARG A 4 -6.664 0.841 -3.466 1.00 0.00 C ATOM 37 NE ARG A 4 -8.109 1.012 -3.618 1.00 0.00 N ATOM 38 CZ ARG A 4 -8.749 2.178 -3.755 1.00 0.00 C ATOM 39 NH1 ARG A 4 -8.072 3.322 -3.796 1.00 0.00 N ATOM 40 NH2 ARG A 4 -10.072 2.193 -3.857 1.00 0.00 N ATOM 0 H ARG A 4 -5.033 -2.361 -0.900 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.707 -2.873 -3.798 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.506 -0.255 -2.263 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.275 -0.472 -3.987 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -6.616 -1.134 -4.260 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.871 -1.060 -2.528 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -6.321 1.375 -2.580 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -6.149 1.279 -4.321 1.00 0.00 H new ATOM 0 HE ARG A 4 -8.679 0.166 -3.620 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -7.055 3.315 -3.723 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -8.570 4.206 -3.901 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -10.595 1.318 -3.831 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -10.565 3.080 -3.962 1.00 0.00 H new ATOM 54 N CYS A 5 -2.286 -3.070 -3.425 1.00 0.00 N ATOM 55 CA CYS A 5 -0.895 -3.251 -3.153 1.00 0.00 C ATOM 56 C CYS A 5 -0.049 -2.283 -3.937 1.00 0.00 C ATOM 57 O CYS A 5 -0.275 -2.039 -5.135 1.00 0.00 O ATOM 58 CB CYS A 5 -0.446 -4.682 -3.364 1.00 0.00 C ATOM 59 SG CYS A 5 -1.456 -5.933 -2.470 1.00 0.00 S ATOM 0 H CYS A 5 -2.613 -3.451 -4.313 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.752 -3.033 -2.095 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.473 -4.905 -4.431 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.592 -4.775 -3.045 1.00 0.00 H new ATOM 64 N LEU A 6 0.880 -1.713 -3.245 1.00 0.00 N ATOM 65 CA LEU A 6 1.813 -0.742 -3.797 1.00 0.00 C ATOM 66 C LEU A 6 3.198 -1.132 -3.347 1.00 0.00 C ATOM 67 O LEU A 6 3.365 -1.622 -2.239 1.00 0.00 O ATOM 68 CB LEU A 6 1.527 0.712 -3.315 1.00 0.00 C ATOM 69 CG LEU A 6 0.166 1.365 -3.659 1.00 0.00 C ATOM 70 CD1 LEU A 6 -0.970 0.832 -2.791 1.00 0.00 C ATOM 71 CD2 LEU A 6 0.260 2.877 -3.537 1.00 0.00 C ATOM 0 H LEU A 6 1.029 -1.903 -2.254 1.00 0.00 H new ATOM 0 HA LEU A 6 1.710 -0.750 -4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.633 0.725 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.311 1.353 -3.720 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.066 1.100 -4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.903 1.321 -3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.066 -0.244 -2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.754 1.037 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.704 3.322 -3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.534 3.143 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.018 3.251 -4.225 1.00 0.00 H new ATOM 83 N CYS A 7 4.176 -0.948 -4.165 1.00 0.00 N ATOM 84 CA CYS A 7 5.509 -1.306 -3.773 1.00 0.00 C ATOM 85 C CYS A 7 6.364 -0.074 -3.704 1.00 0.00 C ATOM 86 O CYS A 7 6.135 0.894 -4.436 1.00 0.00 O ATOM 87 CB CYS A 7 6.114 -2.340 -4.724 1.00 0.00 C ATOM 88 SG CYS A 7 4.967 -3.720 -5.172 1.00 0.00 S ATOM 0 H CYS A 7 4.087 -0.556 -5.102 1.00 0.00 H new ATOM 0 HA CYS A 7 5.467 -1.765 -2.785 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.432 -1.836 -5.637 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.008 -2.761 -4.264 1.00 0.00 H new ATOM 93 N ARG A 8 7.285 -0.090 -2.790 1.00 0.00 N ATOM 94 CA ARG A 8 8.222 0.983 -2.571 1.00 0.00 C ATOM 95 C ARG A 8 9.374 0.413 -1.804 1.00 0.00 C ATOM 96 O ARG A 8 9.177 -0.505 -1.024 1.00 0.00 O ATOM 97 CB ARG A 8 7.591 2.140 -1.780 1.00 0.00 C ATOM 98 CG ARG A 8 8.512 3.346 -1.592 1.00 0.00 C ATOM 99 CD ARG A 8 7.827 4.449 -0.813 1.00 0.00 C ATOM 100 NE ARG A 8 7.453 4.021 0.541 1.00 0.00 N ATOM 101 CZ ARG A 8 6.425 4.517 1.243 1.00 0.00 C ATOM 102 NH1 ARG A 8 5.680 5.498 0.747 1.00 0.00 N ATOM 103 NH2 ARG A 8 6.166 4.045 2.443 1.00 0.00 N ATOM 0 H ARG A 8 7.414 -0.875 -2.151 1.00 0.00 H new ATOM 0 HA ARG A 8 8.541 1.391 -3.530 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.686 2.465 -2.293 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.288 1.772 -0.800 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.417 3.037 -1.068 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.821 3.725 -2.566 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.490 5.312 -0.749 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.935 4.771 -1.350 1.00 0.00 H new ATOM 0 HE ARG A 8 8.017 3.293 0.979 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.888 5.880 -0.175 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.899 5.869 1.288 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.747 3.304 2.836 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.384 4.420 2.981 1.00 0.00 H new ATOM 117 N ARG A 9 10.576 0.878 -2.101 1.00 0.00 N ATOM 118 CA ARG A 9 11.807 0.497 -1.394 1.00 0.00 C ATOM 119 C ARG A 9 12.194 -0.972 -1.692 1.00 0.00 C ATOM 120 O ARG A 9 13.181 -1.502 -1.167 1.00 0.00 O ATOM 121 CB ARG A 9 11.655 0.757 0.128 1.00 0.00 C ATOM 122 CG ARG A 9 12.942 0.718 0.925 1.00 0.00 C ATOM 123 CD ARG A 9 13.872 1.832 0.492 1.00 0.00 C ATOM 124 NE ARG A 9 15.130 1.835 1.231 1.00 0.00 N ATOM 125 CZ ARG A 9 16.004 2.845 1.224 1.00 0.00 C ATOM 126 NH1 ARG A 9 15.757 3.939 0.507 1.00 0.00 N ATOM 127 NH2 ARG A 9 17.110 2.767 1.948 1.00 0.00 N ATOM 0 H ARG A 9 10.736 1.546 -2.855 1.00 0.00 H new ATOM 0 HA ARG A 9 12.624 1.119 -1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.190 1.733 0.268 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.970 0.016 0.539 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.721 0.814 1.988 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.432 -0.246 0.788 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.081 1.732 -0.573 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.372 2.791 0.630 1.00 0.00 H new ATOM 0 HE ARG A 9 15.357 1.012 1.789 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.898 4.008 -0.039 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.426 4.709 0.504 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.294 1.936 2.510 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.778 3.538 1.943 1.00 0.00 H new ATOM 141 N GLY A 10 11.462 -1.591 -2.586 1.00 0.00 N ATOM 142 CA GLY A 10 11.698 -2.972 -2.916 1.00 0.00 C ATOM 143 C GLY A 10 10.779 -3.896 -2.152 1.00 0.00 C ATOM 144 O GLY A 10 10.947 -5.118 -2.188 1.00 0.00 O ATOM 0 H GLY A 10 10.695 -1.156 -3.099 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.554 -3.120 -3.986 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.735 -3.226 -2.696 1.00 0.00 H new ATOM 148 N VAL A 11 9.817 -3.331 -1.454 1.00 0.00 N ATOM 149 CA VAL A 11 8.871 -4.111 -0.709 1.00 0.00 C ATOM 150 C VAL A 11 7.458 -3.757 -1.140 1.00 0.00 C ATOM 151 O VAL A 11 7.122 -2.581 -1.340 1.00 0.00 O ATOM 152 CB VAL A 11 9.045 -3.962 0.851 1.00 0.00 C ATOM 153 CG1 VAL A 11 8.918 -2.518 1.322 1.00 0.00 C ATOM 154 CG2 VAL A 11 8.058 -4.848 1.606 1.00 0.00 C ATOM 0 H VAL A 11 9.675 -2.323 -1.391 1.00 0.00 H new ATOM 0 HA VAL A 11 9.064 -5.160 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 11 10.060 -4.291 1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.046 -2.475 2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.684 -1.910 0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.932 -2.135 1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.203 -4.722 2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.039 -4.564 1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.226 -5.891 1.337 1.00 0.00 H new ATOM 164 N CYS A 12 6.659 -4.759 -1.348 1.00 0.00 N ATOM 165 CA CYS A 12 5.298 -4.559 -1.709 1.00 0.00 C ATOM 166 C CYS A 12 4.432 -4.582 -0.494 1.00 0.00 C ATOM 167 O CYS A 12 4.405 -5.548 0.269 1.00 0.00 O ATOM 168 CB CYS A 12 4.843 -5.550 -2.746 1.00 0.00 C ATOM 169 SG CYS A 12 5.753 -5.401 -4.321 1.00 0.00 S ATOM 0 H CYS A 12 6.937 -5.737 -1.271 1.00 0.00 H new ATOM 0 HA CYS A 12 5.208 -3.574 -2.167 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.967 -6.560 -2.355 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.778 -5.409 -2.933 1.00 0.00 H new ATOM 174 N ARG A 13 3.749 -3.517 -0.314 1.00 0.00 N ATOM 175 CA ARG A 13 2.920 -3.293 0.824 1.00 0.00 C ATOM 176 C ARG A 13 1.493 -3.317 0.364 1.00 0.00 C ATOM 177 O ARG A 13 1.171 -2.757 -0.690 1.00 0.00 O ATOM 178 CB ARG A 13 3.211 -1.912 1.396 1.00 0.00 C ATOM 179 CG ARG A 13 4.679 -1.627 1.680 1.00 0.00 C ATOM 180 CD ARG A 13 4.854 -0.228 2.230 1.00 0.00 C ATOM 181 NE ARG A 13 4.311 0.806 1.321 1.00 0.00 N ATOM 182 CZ ARG A 13 3.611 1.881 1.722 1.00 0.00 C ATOM 183 NH1 ARG A 13 3.376 2.086 3.012 1.00 0.00 N ATOM 184 NH2 ARG A 13 3.153 2.750 0.827 1.00 0.00 N ATOM 0 H ARG A 13 3.746 -2.742 -0.977 1.00 0.00 H new ATOM 0 HA ARG A 13 3.106 -4.055 1.581 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.839 -1.161 0.699 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.648 -1.793 2.322 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.065 -2.355 2.394 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.260 -1.739 0.765 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.357 -0.156 3.197 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.913 -0.037 2.401 1.00 0.00 H new ATOM 0 HE ARG A 13 4.480 0.695 0.321 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.727 1.426 3.706 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.844 2.904 3.310 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.332 2.602 -0.166 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.622 3.565 1.133 1.00 0.00 H new ATOM 198 N CYS A 14 0.645 -3.953 1.088 1.00 0.00 N ATOM 199 CA CYS A 14 -0.728 -3.943 0.722 1.00 0.00 C ATOM 200 C CYS A 14 -1.513 -3.124 1.712 1.00 0.00 C ATOM 201 O CYS A 14 -1.547 -3.425 2.911 1.00 0.00 O ATOM 202 CB CYS A 14 -1.286 -5.351 0.532 1.00 0.00 C ATOM 203 SG CYS A 14 -0.415 -6.318 -0.758 1.00 0.00 S ATOM 0 H CYS A 14 0.872 -4.483 1.930 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.826 -3.467 -0.254 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.226 -5.887 1.479 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.342 -5.282 0.271 1.00 0.00 H new ATOM 208 N ILE A 15 -2.084 -2.064 1.224 1.00 0.00 N ATOM 209 CA ILE A 15 -2.841 -1.135 2.034 1.00 0.00 C ATOM 210 C ILE A 15 -4.307 -1.374 1.754 1.00 0.00 C ATOM 211 O ILE A 15 -4.692 -1.534 0.600 1.00 0.00 O ATOM 212 CB ILE A 15 -2.483 0.334 1.660 1.00 0.00 C ATOM 213 CG1 ILE A 15 -0.960 0.552 1.735 1.00 0.00 C ATOM 214 CG2 ILE A 15 -3.211 1.321 2.581 1.00 0.00 C ATOM 215 CD1 ILE A 15 -0.507 1.920 1.262 1.00 0.00 C ATOM 0 H ILE A 15 -2.041 -1.809 0.237 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.609 -1.288 3.088 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.810 0.516 0.636 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.633 0.409 2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.464 -0.211 1.135 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.947 2.341 2.302 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.288 1.185 2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.916 1.139 3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.577 1.994 1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.800 2.061 0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.972 2.690 1.877 1.00 0.00 H new ATOM 227 N CYS A 16 -5.117 -1.433 2.761 1.00 0.00 N ATOM 228 CA CYS A 16 -6.509 -1.682 2.529 1.00 0.00 C ATOM 229 C CYS A 16 -7.329 -0.457 2.880 1.00 0.00 C ATOM 230 O CYS A 16 -7.123 0.175 3.919 1.00 0.00 O ATOM 231 CB CYS A 16 -6.986 -2.915 3.295 1.00 0.00 C ATOM 232 SG CYS A 16 -5.999 -4.424 2.979 1.00 0.00 S ATOM 0 H CYS A 16 -4.849 -1.315 3.738 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.649 -1.890 1.468 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.963 -2.697 4.363 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.025 -3.113 3.032 1.00 0.00 H new ATOM 237 N THR A 17 -8.195 -0.074 1.987 1.00 0.00 N ATOM 238 CA THR A 17 -9.070 1.046 2.188 1.00 0.00 C ATOM 239 C THR A 17 -10.355 0.745 1.441 1.00 0.00 C ATOM 240 O THR A 17 -10.305 0.119 0.392 1.00 0.00 O ATOM 241 CB THR A 17 -8.427 2.324 1.624 1.00 0.00 C ATOM 242 OG1 THR A 17 -7.072 2.422 2.110 1.00 0.00 O ATOM 243 CG2 THR A 17 -9.190 3.565 2.056 1.00 0.00 C ATOM 0 H THR A 17 -8.315 -0.537 1.086 1.00 0.00 H new ATOM 0 HA THR A 17 -9.262 1.203 3.250 1.00 0.00 H new ATOM 0 HB THR A 17 -8.448 2.265 0.536 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.654 3.234 1.753 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.709 4.451 1.640 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.216 3.505 1.694 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.192 3.630 3.144 1.00 0.00 H new ATOM 251 N ARG A 18 -11.488 1.121 2.021 1.00 0.00 N ATOM 252 CA ARG A 18 -12.846 0.895 1.446 1.00 0.00 C ATOM 253 C ARG A 18 -13.185 -0.594 1.475 1.00 0.00 C ATOM 254 O ARG A 18 -14.157 -1.057 0.885 1.00 0.00 O ATOM 255 CB ARG A 18 -12.909 1.420 0.014 1.00 0.00 C ATOM 256 CG ARG A 18 -14.302 1.613 -0.561 1.00 0.00 C ATOM 257 CD ARG A 18 -14.241 1.912 -2.047 1.00 0.00 C ATOM 258 NE ARG A 18 -13.762 0.757 -2.817 1.00 0.00 N ATOM 259 CZ ARG A 18 -13.274 0.796 -4.061 1.00 0.00 C ATOM 260 NH1 ARG A 18 -13.097 1.957 -4.686 1.00 0.00 N ATOM 261 NH2 ARG A 18 -12.943 -0.332 -4.672 1.00 0.00 N ATOM 0 H ARG A 18 -11.510 1.601 2.920 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.576 1.436 2.048 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.385 2.375 -0.026 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.364 0.730 -0.630 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.897 0.715 -0.391 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.803 2.430 -0.042 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.231 2.199 -2.401 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.582 2.763 -2.220 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.805 -0.155 -2.363 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.334 2.831 -4.216 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.724 1.974 -5.635 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.061 -1.225 -4.193 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.570 -0.308 -5.621 1.00 0.00 H new TER 275 ARG A 18