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= -0.253 (180deg=-0.253) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.196 -0.699 1.006 1.00 0.00 N ATOM 2 CA GLY A 1 -13.065 -2.134 0.952 1.00 0.00 C ATOM 3 C GLY A 1 -12.090 -2.536 -0.113 1.00 0.00 C ATOM 4 O GLY A 1 -11.586 -3.663 -0.131 1.00 0.00 O ATOM 0 H2 GLY A 1 -13.876 -0.440 1.750 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.731 -2.511 1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.037 -2.586 0.752 1.00 0.00 H new ATOM 8 N ILE A 2 -11.832 -1.613 -1.006 1.00 0.00 N ATOM 9 CA ILE A 2 -10.889 -1.803 -2.063 1.00 0.00 C ATOM 10 C ILE A 2 -9.558 -1.372 -1.523 1.00 0.00 C ATOM 11 O ILE A 2 -9.464 -0.364 -0.797 1.00 0.00 O ATOM 12 CB ILE A 2 -11.214 -0.955 -3.358 1.00 0.00 C ATOM 13 CG1 ILE A 2 -12.598 -1.273 -3.972 1.00 0.00 C ATOM 14 CG2 ILE A 2 -10.129 -1.114 -4.424 1.00 0.00 C ATOM 15 CD1 ILE A 2 -13.800 -0.749 -3.207 1.00 0.00 C ATOM 0 H ILE A 2 -12.282 -0.697 -1.013 1.00 0.00 H new ATOM 0 HA ILE A 2 -10.913 -2.849 -2.370 1.00 0.00 H new ATOM 0 HB ILE A 2 -11.239 0.081 -3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -12.628 -0.864 -4.982 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -12.693 -2.355 -4.063 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -10.388 -0.517 -5.298 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -9.173 -0.776 -4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -10.052 -2.163 -4.711 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -14.715 -1.031 -3.729 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -13.808 -1.177 -2.204 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -13.742 0.337 -3.138 1.00 0.00 H new ATOM 27 N CYS A 3 -8.570 -2.110 -1.833 1.00 0.00 N ATOM 28 CA CYS A 3 -7.252 -1.840 -1.377 1.00 0.00 C ATOM 29 C CYS A 3 -6.327 -1.614 -2.547 1.00 0.00 C ATOM 30 O CYS A 3 -6.514 -2.179 -3.638 1.00 0.00 O ATOM 31 CB CYS A 3 -6.740 -2.966 -0.498 1.00 0.00 C ATOM 32 SG CYS A 3 -7.790 -3.311 0.962 1.00 0.00 S ATOM 0 H CYS A 3 -8.646 -2.939 -2.423 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.278 -0.931 -0.776 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.660 -3.873 -1.097 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.734 -2.719 -0.159 1.00 0.00 H new ATOM 37 N ARG A 4 -5.359 -0.797 -2.323 1.00 0.00 N ATOM 38 CA ARG A 4 -4.390 -0.427 -3.309 1.00 0.00 C ATOM 39 C ARG A 4 -3.001 -0.546 -2.704 1.00 0.00 C ATOM 40 O ARG A 4 -2.709 0.069 -1.681 1.00 0.00 O ATOM 41 CB ARG A 4 -4.651 1.007 -3.763 1.00 0.00 C ATOM 42 CG ARG A 4 -3.675 1.517 -4.793 1.00 0.00 C ATOM 43 CD ARG A 4 -3.959 2.954 -5.143 1.00 0.00 C ATOM 44 NE ARG A 4 -2.992 3.493 -6.108 1.00 0.00 N ATOM 45 CZ ARG A 4 -2.941 4.779 -6.487 1.00 0.00 C ATOM 46 NH1 ARG A 4 -3.763 5.663 -5.937 1.00 0.00 N ATOM 47 NH2 ARG A 4 -2.058 5.178 -7.391 1.00 0.00 N ATOM 0 H ARG A 4 -5.210 -0.349 -1.419 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.462 -1.087 -4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.659 1.069 -4.173 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.620 1.663 -2.893 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.658 1.426 -4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.734 0.902 -5.691 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.964 3.033 -5.556 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.939 3.558 -4.236 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.316 2.848 -6.516 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.432 5.365 -5.227 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.726 6.641 -6.224 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -1.411 4.506 -7.804 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.025 6.157 -7.674 1.00 0.00 H new ATOM 61 N CYS A 5 -2.177 -1.339 -3.305 1.00 0.00 N ATOM 62 CA CYS A 5 -0.853 -1.548 -2.838 1.00 0.00 C ATOM 63 C CYS A 5 0.130 -0.709 -3.631 1.00 0.00 C ATOM 64 O CYS A 5 0.234 -0.833 -4.860 1.00 0.00 O ATOM 65 CB CYS A 5 -0.522 -3.026 -2.928 1.00 0.00 C ATOM 66 SG CYS A 5 -1.666 -4.104 -1.970 1.00 0.00 S ATOM 0 H CYS A 5 -2.411 -1.866 -4.146 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.777 -1.235 -1.797 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.542 -3.330 -3.975 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.495 -3.183 -2.570 1.00 0.00 H new ATOM 71 N ILE A 6 0.790 0.188 -2.943 1.00 0.00 N ATOM 72 CA ILE A 6 1.797 1.027 -3.513 1.00 0.00 C ATOM 73 C ILE A 6 3.133 0.625 -2.920 1.00 0.00 C ATOM 74 O ILE A 6 3.179 0.191 -1.768 1.00 0.00 O ATOM 75 CB ILE A 6 1.515 2.540 -3.262 1.00 0.00 C ATOM 76 CG1 ILE A 6 1.390 2.837 -1.751 1.00 0.00 C ATOM 77 CG2 ILE A 6 0.255 2.974 -4.007 1.00 0.00 C ATOM 78 CD1 ILE A 6 1.150 4.297 -1.420 1.00 0.00 C ATOM 0 H ILE A 6 0.634 0.354 -1.949 1.00 0.00 H new ATOM 0 HA ILE A 6 1.802 0.893 -4.595 1.00 0.00 H new ATOM 0 HB ILE A 6 2.359 3.114 -3.645 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.571 2.245 -1.343 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.301 2.508 -1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.070 4.032 -3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.390 2.810 -5.076 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.595 2.390 -3.654 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.075 4.417 -0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.980 4.896 -1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.223 4.628 -1.888 1.00 0.00 H new ATOM 90 N CYS A 7 4.188 0.725 -3.677 1.00 0.00 N ATOM 91 CA CYS A 7 5.485 0.294 -3.212 1.00 0.00 C ATOM 92 C CYS A 7 6.514 1.391 -3.343 1.00 0.00 C ATOM 93 O CYS A 7 6.505 2.165 -4.318 1.00 0.00 O ATOM 94 CB CYS A 7 5.933 -0.939 -3.982 1.00 0.00 C ATOM 95 SG CYS A 7 4.755 -2.340 -3.921 1.00 0.00 S ATOM 0 H CYS A 7 4.180 1.103 -4.624 1.00 0.00 H new ATOM 0 HA CYS A 7 5.395 0.046 -2.154 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.096 -0.662 -5.024 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.893 -1.270 -3.586 1.00 0.00 H new ATOM 100 N GLY A 8 7.390 1.467 -2.374 1.00 0.00 N ATOM 101 CA GLY A 8 8.413 2.462 -2.391 1.00 0.00 C ATOM 102 C GLY A 8 9.734 1.884 -2.804 1.00 0.00 C ATOM 103 O GLY A 8 9.910 1.469 -3.957 1.00 0.00 O ATOM 0 H GLY A 8 7.409 0.847 -1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.134 3.261 -3.078 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.504 2.909 -1.401 1.00 0.00 H new ATOM 107 N ARG A 9 10.638 1.822 -1.861 1.00 0.00 N ATOM 108 CA ARG A 9 11.976 1.294 -2.071 1.00 0.00 C ATOM 109 C ARG A 9 11.901 -0.209 -2.335 1.00 0.00 C ATOM 110 O ARG A 9 12.663 -0.758 -3.135 1.00 0.00 O ATOM 111 CB ARG A 9 12.825 1.542 -0.823 1.00 0.00 C ATOM 112 CG ARG A 9 14.319 1.311 -1.006 1.00 0.00 C ATOM 113 CD ARG A 9 14.922 2.352 -1.941 1.00 0.00 C ATOM 114 NE ARG A 9 14.691 3.712 -1.443 1.00 0.00 N ATOM 115 CZ ARG A 9 15.271 4.822 -1.901 1.00 0.00 C ATOM 116 NH1 ARG A 9 16.119 4.778 -2.926 1.00 0.00 N ATOM 117 NH2 ARG A 9 14.978 5.979 -1.334 1.00 0.00 N ATOM 0 H ARG A 9 10.470 2.140 -0.907 1.00 0.00 H new ATOM 0 HA ARG A 9 12.427 1.793 -2.929 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.669 2.569 -0.494 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.467 0.893 -0.024 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.818 1.354 -0.038 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.490 0.313 -1.409 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.993 2.176 -2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.487 2.247 -2.935 1.00 0.00 H new ATOM 0 HE ARG A 9 14.026 3.818 -0.677 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.333 3.886 -3.373 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.555 5.636 -3.265 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.317 6.014 -0.558 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.413 6.837 -1.672 1.00 0.00 H new ATOM 131 N ARG A 10 10.967 -0.858 -1.665 1.00 0.00 N ATOM 132 CA ARG A 10 10.761 -2.300 -1.793 1.00 0.00 C ATOM 133 C ARG A 10 9.522 -2.702 -1.049 1.00 0.00 C ATOM 134 O ARG A 10 8.754 -3.552 -1.489 1.00 0.00 O ATOM 135 CB ARG A 10 11.960 -3.094 -1.256 1.00 0.00 C ATOM 136 CG ARG A 10 11.819 -4.599 -1.396 1.00 0.00 C ATOM 137 CD ARG A 10 11.869 -5.042 -2.849 1.00 0.00 C ATOM 138 NE ARG A 10 11.589 -6.476 -2.991 1.00 0.00 N ATOM 139 CZ ARG A 10 12.132 -7.292 -3.909 1.00 0.00 C ATOM 140 NH1 ARG A 10 13.149 -6.882 -4.673 1.00 0.00 N ATOM 141 NH2 ARG A 10 11.690 -8.539 -4.024 1.00 0.00 N ATOM 0 H ARG A 10 10.326 -0.405 -1.014 1.00 0.00 H new ATOM 0 HA ARG A 10 10.652 -2.528 -2.853 1.00 0.00 H new ATOM 0 HB2 ARG A 10 12.859 -2.774 -1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 10 12.102 -2.849 -0.203 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.616 -5.091 -0.839 1.00 0.00 H new ATOM 0 HG3 ARG A 10 10.876 -4.918 -0.952 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.144 -4.471 -3.428 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.853 -4.821 -3.263 1.00 0.00 H new ATOM 0 HE ARG A 10 10.925 -6.888 -2.336 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.522 -5.939 -4.563 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.552 -7.512 -5.366 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.942 -8.873 -3.417 1.00 0.00 H new ATOM 0 HH22 ARG A 10 12.099 -9.163 -4.720 1.00 0.00 H new ATOM 155 N ILE A 11 9.350 -2.077 0.062 1.00 0.00 N ATOM 156 CA ILE A 11 8.235 -2.327 0.936 1.00 0.00 C ATOM 157 C ILE A 11 7.002 -1.702 0.298 1.00 0.00 C ATOM 158 O ILE A 11 7.109 -0.719 -0.466 1.00 0.00 O ATOM 159 CB ILE A 11 8.453 -1.736 2.398 1.00 0.00 C ATOM 160 CG1 ILE A 11 9.739 -2.267 3.092 1.00 0.00 C ATOM 161 CG2 ILE A 11 7.255 -2.007 3.305 1.00 0.00 C ATOM 162 CD1 ILE A 11 11.061 -1.739 2.560 1.00 0.00 C ATOM 0 H ILE A 11 9.989 -1.360 0.405 1.00 0.00 H new ATOM 0 HA ILE A 11 8.120 -3.404 1.058 1.00 0.00 H new ATOM 0 HB ILE A 11 8.567 -0.662 2.251 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.678 -2.028 4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.747 -3.354 3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.444 -1.587 4.293 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.364 -1.545 2.879 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.100 -3.082 3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.883 -2.182 3.123 1.00 0.00 H new ATOM 0 HD12 ILE A 11 11.160 -2.001 1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 11 11.090 -0.655 2.668 1.00 0.00 H new ATOM 174 N CYS A 12 5.879 -2.263 0.569 1.00 0.00 N ATOM 175 CA CYS A 12 4.658 -1.812 0.002 1.00 0.00 C ATOM 176 C CYS A 12 3.654 -1.543 1.095 1.00 0.00 C ATOM 177 O CYS A 12 3.787 -2.040 2.220 1.00 0.00 O ATOM 178 CB CYS A 12 4.104 -2.835 -0.983 1.00 0.00 C ATOM 179 SG CYS A 12 5.289 -3.392 -2.268 1.00 0.00 S ATOM 0 H CYS A 12 5.780 -3.059 1.199 1.00 0.00 H new ATOM 0 HA CYS A 12 4.851 -0.888 -0.543 1.00 0.00 H new ATOM 0 HB2 CYS A 12 3.760 -3.706 -0.425 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.231 -2.407 -1.476 1.00 0.00 H new ATOM 184 N ARG A 13 2.681 -0.758 0.770 1.00 0.00 N ATOM 185 CA ARG A 13 1.631 -0.387 1.677 1.00 0.00 C ATOM 186 C ARG A 13 0.308 -0.508 0.954 1.00 0.00 C ATOM 187 O ARG A 13 0.102 0.125 -0.089 1.00 0.00 O ATOM 188 CB ARG A 13 1.839 1.053 2.167 1.00 0.00 C ATOM 189 CG ARG A 13 0.773 1.558 3.136 1.00 0.00 C ATOM 190 CD ARG A 13 1.019 3.013 3.487 1.00 0.00 C ATOM 191 NE ARG A 13 -0.035 3.585 4.342 1.00 0.00 N ATOM 192 CZ ARG A 13 -0.458 4.858 4.269 1.00 0.00 C ATOM 193 NH1 ARG A 13 0.105 5.699 3.401 1.00 0.00 N ATOM 194 NH2 ARG A 13 -1.430 5.282 5.061 1.00 0.00 N ATOM 0 H ARG A 13 2.586 -0.343 -0.157 1.00 0.00 H new ATOM 0 HA ARG A 13 1.640 -1.046 2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.813 1.120 2.652 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.868 1.716 1.302 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.215 1.448 2.688 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.781 0.953 4.043 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.979 3.101 3.995 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.090 3.596 2.568 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.472 2.976 5.034 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.857 5.376 2.792 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.216 6.665 3.346 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.860 4.642 5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.749 6.249 5.004 1.00 0.00 H new ATOM 208 N CYS A 14 -0.547 -1.346 1.452 1.00 0.00 N ATOM 209 CA CYS A 14 -1.831 -1.528 0.885 1.00 0.00 C ATOM 210 C CYS A 14 -2.857 -0.726 1.650 1.00 0.00 C ATOM 211 O CYS A 14 -3.275 -1.102 2.745 1.00 0.00 O ATOM 212 CB CYS A 14 -2.182 -3.003 0.863 1.00 0.00 C ATOM 213 SG CYS A 14 -0.979 -4.040 -0.053 1.00 0.00 S ATOM 0 H CYS A 14 -0.364 -1.925 2.272 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.827 -1.167 -0.144 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.252 -3.365 1.889 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.168 -3.125 0.414 1.00 0.00 H new ATOM 218 N ILE A 15 -3.209 0.398 1.098 1.00 0.00 N ATOM 219 CA ILE A 15 -4.191 1.272 1.686 1.00 0.00 C ATOM 220 C ILE A 15 -5.562 0.802 1.263 1.00 0.00 C ATOM 221 O ILE A 15 -5.716 0.283 0.164 1.00 0.00 O ATOM 222 CB ILE A 15 -3.971 2.756 1.266 1.00 0.00 C ATOM 223 CG1 ILE A 15 -3.934 2.903 -0.276 1.00 0.00 C ATOM 224 CG2 ILE A 15 -2.694 3.295 1.894 1.00 0.00 C ATOM 225 CD1 ILE A 15 -3.740 4.326 -0.768 1.00 0.00 C ATOM 0 H ILE A 15 -2.821 0.740 0.219 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.095 1.233 2.771 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.813 3.344 1.631 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.128 2.283 -0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.865 2.513 -0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.551 4.333 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.771 3.239 2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.845 2.700 1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.726 4.335 -1.858 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.559 4.950 -0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.795 4.716 -0.390 1.00 0.00 H new ATOM 237 N CYS A 16 -6.523 0.933 2.119 1.00 0.00 N ATOM 238 CA CYS A 16 -7.861 0.489 1.827 1.00 0.00 C ATOM 239 C CYS A 16 -8.831 1.605 2.165 1.00 0.00 C ATOM 240 O CYS A 16 -8.550 2.416 3.057 1.00 0.00 O ATOM 241 CB CYS A 16 -8.184 -0.776 2.637 1.00 0.00 C ATOM 242 SG CYS A 16 -6.986 -2.153 2.425 1.00 0.00 S ATOM 0 H CYS A 16 -6.410 1.350 3.043 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.949 0.244 0.769 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -8.230 -0.512 3.694 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -9.176 -1.129 2.353 1.00 0.00 H new ATOM 247 N GLY A 17 -9.925 1.698 1.431 1.00 0.00 N ATOM 248 CA GLY A 17 -10.896 2.732 1.705 1.00 0.00 C ATOM 249 C GLY A 17 -12.302 2.195 1.798 1.00 0.00 C ATOM 250 O GLY A 17 -12.832 1.995 2.885 1.00 0.00 O ATOM 0 H GLY A 17 -10.158 1.080 0.654 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.638 3.229 2.640 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.850 3.486 0.919 1.00 0.00 H new ATOM 254 N ARG A 18 -12.896 1.925 0.660 1.00 0.00 N ATOM 255 CA ARG A 18 -14.269 1.420 0.580 1.00 0.00 C ATOM 256 C ARG A 18 -14.266 -0.106 0.540 1.00 0.00 C ATOM 257 O ARG A 18 -15.225 -0.731 0.103 1.00 0.00 O ATOM 258 CB ARG A 18 -14.994 1.941 -0.685 1.00 0.00 C ATOM 259 CG ARG A 18 -15.424 3.421 -0.709 1.00 0.00 C ATOM 260 CD ARG A 18 -14.263 4.404 -0.687 1.00 0.00 C ATOM 261 NE ARG A 18 -14.717 5.776 -0.988 1.00 0.00 N ATOM 262 CZ ARG A 18 -14.207 6.909 -0.472 1.00 0.00 C ATOM 263 NH1 ARG A 18 -13.367 6.868 0.554 1.00 0.00 N ATOM 264 NH2 ARG A 18 -14.597 8.081 -0.950 1.00 0.00 N ATOM 0 H ARG A 18 -12.448 2.046 -0.248 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.797 1.777 1.464 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.341 1.768 -1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.885 1.331 -0.836 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -16.022 3.600 -1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.068 3.616 0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.785 4.383 0.292 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.512 4.099 -1.415 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.488 5.874 -1.648 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.101 5.971 0.960 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.987 7.734 0.937 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.281 8.122 -1.706 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.214 8.943 -0.562 1.00 0.00 H new TER 278 ARG A 18