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 -13.403 -1.465 0.756 1.00 0.00 N ATOM 2 CA GLY A 1 -13.466 -2.738 0.067 1.00 0.00 C ATOM 3 C GLY A 1 -12.274 -2.980 -0.841 1.00 0.00 C ATOM 4 O GLY A 1 -11.878 -4.127 -1.078 1.00 0.00 O ATOM 0 H2 GLY A 1 -14.242 -1.355 1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.525 -3.540 0.802 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.381 -2.780 -0.524 1.00 0.00 H new ATOM 8 N ILE A 2 -11.693 -1.917 -1.343 1.00 0.00 N ATOM 9 CA ILE A 2 -10.586 -2.021 -2.248 1.00 0.00 C ATOM 10 C ILE A 2 -9.400 -1.386 -1.577 1.00 0.00 C ATOM 11 O ILE A 2 -9.557 -0.435 -0.789 1.00 0.00 O ATOM 12 CB ILE A 2 -10.879 -1.312 -3.616 1.00 0.00 C ATOM 13 CG1 ILE A 2 -12.197 -1.827 -4.240 1.00 0.00 C ATOM 14 CG2 ILE A 2 -9.719 -1.493 -4.604 1.00 0.00 C ATOM 15 CD1 ILE A 2 -12.225 -3.321 -4.527 1.00 0.00 C ATOM 0 H ILE A 2 -11.977 -0.960 -1.133 1.00 0.00 H new ATOM 0 HA ILE A 2 -10.398 -3.070 -2.476 1.00 0.00 H new ATOM 0 HB ILE A 2 -10.986 -0.247 -3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -13.020 -1.585 -3.568 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -12.377 -1.289 -5.171 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -9.957 -0.989 -5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -8.811 -1.064 -4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -9.564 -2.555 -4.793 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -13.187 -3.590 -4.963 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -11.427 -3.572 -5.226 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -12.081 -3.873 -3.598 1.00 0.00 H new ATOM 27 N CYS A 3 -8.255 -1.917 -1.821 1.00 0.00 N ATOM 28 CA CYS A 3 -7.068 -1.425 -1.226 1.00 0.00 C ATOM 29 C CYS A 3 -6.106 -1.018 -2.311 1.00 0.00 C ATOM 30 O CYS A 3 -6.087 -1.607 -3.390 1.00 0.00 O ATOM 31 CB CYS A 3 -6.459 -2.480 -0.304 1.00 0.00 C ATOM 32 SG CYS A 3 -7.682 -3.295 0.805 1.00 0.00 S ATOM 0 H CYS A 3 -8.116 -2.712 -2.445 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.295 -0.551 -0.615 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.970 -3.241 -0.912 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.685 -2.013 0.305 1.00 0.00 H new ATOM 37 N ARG A 4 -5.358 0.003 -2.047 1.00 0.00 N ATOM 38 CA ARG A 4 -4.399 0.523 -2.988 1.00 0.00 C ATOM 39 C ARG A 4 -3.018 0.193 -2.497 1.00 0.00 C ATOM 40 O ARG A 4 -2.624 0.643 -1.418 1.00 0.00 O ATOM 41 CB ARG A 4 -4.557 2.037 -3.138 1.00 0.00 C ATOM 42 CG ARG A 4 -5.938 2.464 -3.594 1.00 0.00 C ATOM 43 CD ARG A 4 -6.050 3.970 -3.686 1.00 0.00 C ATOM 44 NE ARG A 4 -7.404 4.389 -4.056 1.00 0.00 N ATOM 45 CZ ARG A 4 -7.754 5.621 -4.437 1.00 0.00 C ATOM 46 NH1 ARG A 4 -6.849 6.600 -4.483 1.00 0.00 N ATOM 47 NH2 ARG A 4 -9.011 5.874 -4.759 1.00 0.00 N ATOM 0 H ARG A 4 -5.390 0.511 -1.163 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.565 0.070 -3.965 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.337 2.513 -2.182 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.819 2.401 -3.853 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -6.154 2.022 -4.567 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.686 2.084 -2.898 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.780 4.415 -2.728 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -5.339 4.344 -4.423 1.00 0.00 H new ATOM 0 HE ARG A 4 -8.139 3.683 -4.020 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.880 6.411 -4.226 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -7.126 7.537 -4.775 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -9.708 5.131 -4.716 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -9.284 6.813 -5.051 1.00 0.00 H new ATOM 61 N CYS A 5 -2.311 -0.611 -3.239 1.00 0.00 N ATOM 62 CA CYS A 5 -1.000 -1.033 -2.868 1.00 0.00 C ATOM 63 C CYS A 5 0.068 -0.213 -3.553 1.00 0.00 C ATOM 64 O CYS A 5 0.360 -0.410 -4.729 1.00 0.00 O ATOM 65 CB CYS A 5 -0.822 -2.512 -3.170 1.00 0.00 C ATOM 66 SG CYS A 5 -1.867 -3.609 -2.154 1.00 0.00 S ATOM 0 H CYS A 5 -2.636 -0.993 -4.127 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.888 -0.875 -1.795 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.046 -2.687 -4.222 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.224 -2.780 -3.018 1.00 0.00 H new ATOM 71 N ILE A 6 0.609 0.731 -2.833 1.00 0.00 N ATOM 72 CA ILE A 6 1.676 1.536 -3.339 1.00 0.00 C ATOM 73 C ILE A 6 3.007 1.003 -2.817 1.00 0.00 C ATOM 74 O ILE A 6 3.156 0.748 -1.613 1.00 0.00 O ATOM 75 CB ILE A 6 1.495 3.049 -3.009 1.00 0.00 C ATOM 76 CG1 ILE A 6 1.306 3.273 -1.493 1.00 0.00 C ATOM 77 CG2 ILE A 6 0.316 3.621 -3.798 1.00 0.00 C ATOM 78 CD1 ILE A 6 1.147 4.725 -1.090 1.00 0.00 C ATOM 0 H ILE A 6 0.321 0.960 -1.882 1.00 0.00 H new ATOM 0 HA ILE A 6 1.664 1.467 -4.427 1.00 0.00 H new ATOM 0 HB ILE A 6 2.402 3.576 -3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.427 2.719 -1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.164 2.854 -0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.198 4.678 -3.560 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.504 3.508 -4.866 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.595 3.085 -3.531 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.020 4.791 -0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.035 5.284 -1.385 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.272 5.146 -1.585 1.00 0.00 H new ATOM 90 N CYS A 7 3.940 0.795 -3.697 1.00 0.00 N ATOM 91 CA CYS A 7 5.224 0.245 -3.333 1.00 0.00 C ATOM 92 C CYS A 7 6.328 1.245 -3.624 1.00 0.00 C ATOM 93 O CYS A 7 6.155 2.149 -4.455 1.00 0.00 O ATOM 94 CB CYS A 7 5.467 -1.076 -4.074 1.00 0.00 C ATOM 95 SG CYS A 7 4.188 -2.356 -3.764 1.00 0.00 S ATOM 0 H CYS A 7 3.838 1.000 -4.691 1.00 0.00 H new ATOM 0 HA CYS A 7 5.228 0.039 -2.263 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.514 -0.876 -5.145 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.440 -1.471 -3.781 1.00 0.00 H new ATOM 100 N GLY A 8 7.427 1.125 -2.922 1.00 0.00 N ATOM 101 CA GLY A 8 8.539 2.018 -3.118 1.00 0.00 C ATOM 102 C GLY A 8 9.780 1.246 -3.411 1.00 0.00 C ATOM 103 O GLY A 8 9.868 0.579 -4.447 1.00 0.00 O ATOM 0 H GLY A 8 7.575 0.413 -2.206 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.325 2.700 -3.941 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.685 2.629 -2.227 1.00 0.00 H new ATOM 107 N ARG A 9 10.724 1.295 -2.502 1.00 0.00 N ATOM 108 CA ARG A 9 11.941 0.556 -2.660 1.00 0.00 C ATOM 109 C ARG A 9 11.700 -0.942 -2.522 1.00 0.00 C ATOM 110 O ARG A 9 11.925 -1.692 -3.459 1.00 0.00 O ATOM 111 CB ARG A 9 13.062 1.040 -1.705 1.00 0.00 C ATOM 112 CG ARG A 9 12.723 1.081 -0.219 1.00 0.00 C ATOM 113 CD ARG A 9 13.967 1.316 0.622 1.00 0.00 C ATOM 114 NE ARG A 9 14.936 0.214 0.463 1.00 0.00 N ATOM 115 CZ ARG A 9 15.208 -0.726 1.389 1.00 0.00 C ATOM 116 NH1 ARG A 9 14.670 -0.654 2.602 1.00 0.00 N ATOM 117 NH2 ARG A 9 16.037 -1.722 1.101 1.00 0.00 N ATOM 0 H ARG A 9 10.667 1.843 -1.644 1.00 0.00 H new ATOM 0 HA ARG A 9 12.294 0.748 -3.673 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.927 0.391 -1.839 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.363 2.041 -2.013 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.998 1.873 -0.030 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.253 0.142 0.076 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.433 2.258 0.332 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.687 1.409 1.671 1.00 0.00 H new ATOM 0 HE ARG A 9 15.442 0.160 -0.421 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.046 0.117 2.838 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.881 -1.370 3.297 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.468 -1.776 0.178 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.243 -2.433 1.802 1.00 0.00 H new ATOM 131 N ARG A 10 11.207 -1.369 -1.364 1.00 0.00 N ATOM 132 CA ARG A 10 11.015 -2.800 -1.072 1.00 0.00 C ATOM 133 C ARG A 10 9.807 -3.008 -0.184 1.00 0.00 C ATOM 134 O ARG A 10 9.533 -4.131 0.263 1.00 0.00 O ATOM 135 CB ARG A 10 12.237 -3.366 -0.327 1.00 0.00 C ATOM 136 CG ARG A 10 13.549 -3.282 -1.074 1.00 0.00 C ATOM 137 CD ARG A 10 13.528 -4.106 -2.348 1.00 0.00 C ATOM 138 NE ARG A 10 14.800 -4.027 -3.057 1.00 0.00 N ATOM 139 CZ ARG A 10 14.960 -3.619 -4.321 1.00 0.00 C ATOM 140 NH1 ARG A 10 13.924 -3.157 -5.018 1.00 0.00 N ATOM 141 NH2 ARG A 10 16.163 -3.632 -4.869 1.00 0.00 N ATOM 0 H ARG A 10 10.930 -0.747 -0.604 1.00 0.00 H new ATOM 0 HA ARG A 10 10.877 -3.310 -2.026 1.00 0.00 H new ATOM 0 HB2 ARG A 10 12.342 -2.835 0.619 1.00 0.00 H new ATOM 0 HB3 ARG A 10 12.042 -4.411 -0.086 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.762 -2.241 -1.318 1.00 0.00 H new ATOM 0 HG3 ARG A 10 14.357 -3.630 -0.430 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.309 -5.146 -2.106 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.726 -3.754 -2.997 1.00 0.00 H new ATOM 0 HE ARG A 10 15.638 -4.306 -2.546 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.000 -3.112 -4.589 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.055 -2.848 -5.981 1.00 0.00 H new ATOM 0 HH21 ARG A 10 16.966 -3.953 -4.328 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.288 -3.321 -5.833 1.00 0.00 H new ATOM 155 N ILE A 11 9.096 -1.950 0.094 1.00 0.00 N ATOM 156 CA ILE A 11 7.995 -2.018 1.014 1.00 0.00 C ATOM 157 C ILE A 11 6.772 -1.501 0.306 1.00 0.00 C ATOM 158 O ILE A 11 6.883 -0.636 -0.586 1.00 0.00 O ATOM 159 CB ILE A 11 8.261 -1.133 2.270 1.00 0.00 C ATOM 160 CG1 ILE A 11 9.704 -1.319 2.769 1.00 0.00 C ATOM 161 CG2 ILE A 11 7.276 -1.493 3.384 1.00 0.00 C ATOM 162 CD1 ILE A 11 10.109 -0.370 3.873 1.00 0.00 C ATOM 0 H ILE A 11 9.261 -1.026 -0.306 1.00 0.00 H new ATOM 0 HA ILE A 11 7.861 -3.049 1.343 1.00 0.00 H new ATOM 0 HB ILE A 11 8.121 -0.089 1.991 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.824 -2.343 3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.386 -1.191 1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.470 -0.869 4.257 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.257 -1.324 3.037 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.399 -2.542 3.653 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.140 -0.570 4.165 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.025 0.657 3.519 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.454 -0.512 4.733 1.00 0.00 H new ATOM 174 N CYS A 12 5.643 -2.012 0.662 1.00 0.00 N ATOM 175 CA CYS A 12 4.416 -1.577 0.089 1.00 0.00 C ATOM 176 C CYS A 12 3.474 -1.162 1.178 1.00 0.00 C ATOM 177 O CYS A 12 3.635 -1.538 2.346 1.00 0.00 O ATOM 178 CB CYS A 12 3.771 -2.663 -0.759 1.00 0.00 C ATOM 179 SG CYS A 12 4.834 -3.320 -2.093 1.00 0.00 S ATOM 0 H CYS A 12 5.545 -2.747 1.362 1.00 0.00 H new ATOM 0 HA CYS A 12 4.632 -0.731 -0.563 1.00 0.00 H new ATOM 0 HB2 CYS A 12 3.476 -3.486 -0.108 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.858 -2.265 -1.203 1.00 0.00 H new ATOM 184 N ARG A 13 2.523 -0.392 0.801 1.00 0.00 N ATOM 185 CA ARG A 13 1.527 0.100 1.680 1.00 0.00 C ATOM 186 C ARG A 13 0.196 -0.054 0.994 1.00 0.00 C ATOM 187 O ARG A 13 -0.116 0.679 0.053 1.00 0.00 O ATOM 188 CB ARG A 13 1.787 1.577 2.007 1.00 0.00 C ATOM 189 CG ARG A 13 0.830 2.216 3.025 1.00 0.00 C ATOM 190 CD ARG A 13 1.036 1.690 4.451 1.00 0.00 C ATOM 191 NE ARG A 13 0.625 0.285 4.637 1.00 0.00 N ATOM 192 CZ ARG A 13 1.274 -0.609 5.411 1.00 0.00 C ATOM 193 NH1 ARG A 13 2.393 -0.274 6.045 1.00 0.00 N ATOM 194 NH2 ARG A 13 0.794 -1.829 5.545 1.00 0.00 N ATOM 0 H ARG A 13 2.411 -0.075 -0.162 1.00 0.00 H new ATOM 0 HA ARG A 13 1.540 -0.457 2.617 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.805 1.672 2.385 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.736 2.149 1.080 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.970 3.297 3.018 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.198 2.026 2.718 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.089 1.788 4.715 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.474 2.317 5.143 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.210 -0.033 4.145 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.771 0.669 5.949 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.874 -0.960 6.627 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.066 -2.095 5.064 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.282 -2.508 6.129 1.00 0.00 H new ATOM 208 N CYS A 14 -0.521 -1.053 1.380 1.00 0.00 N ATOM 209 CA CYS A 14 -1.825 -1.291 0.883 1.00 0.00 C ATOM 210 C CYS A 14 -2.822 -0.643 1.810 1.00 0.00 C ATOM 211 O CYS A 14 -3.025 -1.094 2.929 1.00 0.00 O ATOM 212 CB CYS A 14 -2.074 -2.789 0.766 1.00 0.00 C ATOM 213 SG CYS A 14 -0.920 -3.651 -0.358 1.00 0.00 S ATOM 0 H CYS A 14 -0.207 -1.740 2.065 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.933 -0.859 -0.112 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.002 -3.237 1.757 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.094 -2.951 0.417 1.00 0.00 H new ATOM 218 N ILE A 15 -3.370 0.451 1.377 1.00 0.00 N ATOM 219 CA ILE A 15 -4.340 1.179 2.158 1.00 0.00 C ATOM 220 C ILE A 15 -5.748 0.834 1.663 1.00 0.00 C ATOM 221 O ILE A 15 -6.035 0.928 0.463 1.00 0.00 O ATOM 222 CB ILE A 15 -4.078 2.725 2.097 1.00 0.00 C ATOM 223 CG1 ILE A 15 -5.122 3.517 2.900 1.00 0.00 C ATOM 224 CG2 ILE A 15 -3.983 3.235 0.662 1.00 0.00 C ATOM 225 CD1 ILE A 15 -5.111 3.220 4.386 1.00 0.00 C ATOM 0 H ILE A 15 -3.161 0.870 0.471 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.248 0.884 3.203 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.108 2.893 2.566 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.948 4.583 2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.113 3.298 2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.801 4.310 0.669 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.163 2.732 0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.917 3.029 0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.876 3.818 4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.317 2.162 4.547 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.133 3.467 4.799 1.00 0.00 H new ATOM 237 N CYS A 16 -6.595 0.403 2.554 1.00 0.00 N ATOM 238 CA CYS A 16 -7.931 0.013 2.186 1.00 0.00 C ATOM 239 C CYS A 16 -8.893 1.154 2.377 1.00 0.00 C ATOM 240 O CYS A 16 -8.996 1.719 3.468 1.00 0.00 O ATOM 241 CB CYS A 16 -8.353 -1.231 2.954 1.00 0.00 C ATOM 242 SG CYS A 16 -7.233 -2.655 2.682 1.00 0.00 S ATOM 0 H CYS A 16 -6.384 0.312 3.548 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.945 -0.240 1.126 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -8.386 -1.000 4.019 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -9.364 -1.509 2.657 1.00 0.00 H new ATOM 247 N GLY A 17 -9.584 1.511 1.311 1.00 0.00 N ATOM 248 CA GLY A 17 -10.495 2.615 1.374 1.00 0.00 C ATOM 249 C GLY A 17 -11.849 2.135 1.764 1.00 0.00 C ATOM 250 O GLY A 17 -12.300 2.347 2.889 1.00 0.00 O ATOM 0 H GLY A 17 -9.526 1.051 0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.139 3.350 2.095 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.542 3.114 0.406 1.00 0.00 H new ATOM 254 N ARG A 18 -12.487 1.479 0.848 1.00 0.00 N ATOM 255 CA ARG A 18 -13.764 0.877 1.074 1.00 0.00 C ATOM 256 C ARG A 18 -13.864 -0.363 0.214 1.00 0.00 C ATOM 257 O ARG A 18 -14.234 -0.295 -0.958 1.00 0.00 O ATOM 258 CB ARG A 18 -14.913 1.851 0.774 1.00 0.00 C ATOM 259 CG ARG A 18 -16.294 1.266 1.028 1.00 0.00 C ATOM 260 CD ARG A 18 -17.389 2.274 0.753 1.00 0.00 C ATOM 261 NE ARG A 18 -17.313 3.430 1.652 1.00 0.00 N ATOM 262 CZ ARG A 18 -18.083 4.515 1.568 1.00 0.00 C ATOM 263 NH1 ARG A 18 -19.010 4.609 0.620 1.00 0.00 N ATOM 264 NH2 ARG A 18 -17.918 5.504 2.422 1.00 0.00 N ATOM 0 H ARG A 18 -12.129 1.344 -0.097 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.854 0.608 2.127 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.789 2.745 1.386 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.848 2.166 -0.267 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -16.440 0.389 0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.362 0.929 2.062 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.317 2.614 -0.280 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -18.361 1.792 0.864 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.618 3.402 2.398 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -19.135 3.848 -0.048 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -19.596 5.442 0.561 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -17.202 5.439 3.146 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -18.506 6.335 2.360 1.00 0.00 H new TER 278 ARG A 18