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=-0.00155 (180deg=-0.00155) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.880 -0.340 0.554 1.00 0.00 N ATOM 2 CA GLY A 1 -14.311 -1.075 -0.603 1.00 0.00 C ATOM 3 C GLY A 1 -13.164 -1.385 -1.539 1.00 0.00 C ATOM 4 O GLY A 1 -13.129 -2.453 -2.151 1.00 0.00 O ATOM 0 H2 GLY A 1 -14.697 -0.149 1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.782 -2.006 -0.286 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.068 -0.500 -1.136 1.00 0.00 H new ATOM 8 N ILE A 2 -12.205 -0.485 -1.637 1.00 0.00 N ATOM 9 CA ILE A 2 -11.069 -0.676 -2.525 1.00 0.00 C ATOM 10 C ILE A 2 -9.766 -0.677 -1.714 1.00 0.00 C ATOM 11 O ILE A 2 -9.646 0.030 -0.700 1.00 0.00 O ATOM 12 CB ILE A 2 -10.976 0.431 -3.666 1.00 0.00 C ATOM 13 CG1 ILE A 2 -12.223 0.474 -4.596 1.00 0.00 C ATOM 14 CG2 ILE A 2 -9.711 0.285 -4.516 1.00 0.00 C ATOM 15 CD1 ILE A 2 -13.476 1.096 -4.001 1.00 0.00 C ATOM 0 H ILE A 2 -12.188 0.389 -1.112 1.00 0.00 H new ATOM 0 HA ILE A 2 -11.216 -1.638 -3.017 1.00 0.00 H new ATOM 0 HB ILE A 2 -10.935 1.377 -3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -11.960 1.026 -5.498 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -12.458 -0.545 -4.903 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -9.694 1.063 -5.280 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -8.832 0.382 -3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -9.706 -0.694 -4.995 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -14.279 1.072 -4.737 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -13.777 0.534 -3.117 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -13.272 2.129 -3.721 1.00 0.00 H new ATOM 27 N CYS A 3 -8.842 -1.495 -2.148 1.00 0.00 N ATOM 28 CA CYS A 3 -7.515 -1.602 -1.585 1.00 0.00 C ATOM 29 C CYS A 3 -6.502 -1.644 -2.713 1.00 0.00 C ATOM 30 O CYS A 3 -6.814 -2.115 -3.814 1.00 0.00 O ATOM 31 CB CYS A 3 -7.354 -2.869 -0.767 1.00 0.00 C ATOM 32 SG CYS A 3 -8.425 -3.012 0.697 1.00 0.00 S ATOM 0 H CYS A 3 -8.996 -2.129 -2.932 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.358 -0.740 -0.936 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.543 -3.724 -1.416 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.316 -2.939 -0.442 1.00 0.00 H new ATOM 37 N ARG A 4 -5.322 -1.154 -2.450 1.00 0.00 N ATOM 38 CA ARG A 4 -4.227 -1.137 -3.419 1.00 0.00 C ATOM 39 C ARG A 4 -2.914 -1.416 -2.709 1.00 0.00 C ATOM 40 O ARG A 4 -2.647 -0.842 -1.658 1.00 0.00 O ATOM 41 CB ARG A 4 -4.112 0.226 -4.123 1.00 0.00 C ATOM 42 CG ARG A 4 -5.306 0.638 -4.970 1.00 0.00 C ATOM 43 CD ARG A 4 -5.013 1.927 -5.718 1.00 0.00 C ATOM 44 NE ARG A 4 -3.886 1.765 -6.651 1.00 0.00 N ATOM 45 CZ ARG A 4 -3.223 2.756 -7.258 1.00 0.00 C ATOM 46 NH1 ARG A 4 -3.556 4.019 -7.045 1.00 0.00 N ATOM 47 NH2 ARG A 4 -2.221 2.468 -8.075 1.00 0.00 N ATOM 0 H ARG A 4 -5.076 -0.746 -1.548 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.438 -1.903 -4.165 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -3.947 0.992 -3.365 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.227 0.211 -4.759 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.546 -0.154 -5.680 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.181 0.771 -4.334 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.900 2.239 -6.269 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.785 2.719 -5.005 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.583 0.812 -6.853 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.324 4.244 -6.413 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.044 4.767 -7.513 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -1.959 1.496 -8.238 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -1.711 3.218 -8.541 1.00 0.00 H new ATOM 61 N CYS A 5 -2.105 -2.284 -3.251 1.00 0.00 N ATOM 62 CA CYS A 5 -0.830 -2.561 -2.680 1.00 0.00 C ATOM 63 C CYS A 5 0.244 -1.790 -3.417 1.00 0.00 C ATOM 64 O CYS A 5 0.615 -2.111 -4.553 1.00 0.00 O ATOM 65 CB CYS A 5 -0.575 -4.053 -2.667 1.00 0.00 C ATOM 66 SG CYS A 5 -1.877 -5.012 -1.789 1.00 0.00 S ATOM 0 H CYS A 5 -2.316 -2.813 -4.097 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.810 -2.228 -1.642 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.502 -4.410 -3.694 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.388 -4.245 -2.194 1.00 0.00 H new ATOM 71 N ILE A 6 0.694 -0.739 -2.791 1.00 0.00 N ATOM 72 CA ILE A 6 1.658 0.130 -3.360 1.00 0.00 C ATOM 73 C ILE A 6 3.034 -0.146 -2.791 1.00 0.00 C ATOM 74 O ILE A 6 3.176 -0.447 -1.594 1.00 0.00 O ATOM 75 CB ILE A 6 1.276 1.623 -3.160 1.00 0.00 C ATOM 76 CG1 ILE A 6 1.057 1.941 -1.663 1.00 0.00 C ATOM 77 CG2 ILE A 6 0.025 1.952 -3.971 1.00 0.00 C ATOM 78 CD1 ILE A 6 0.780 3.401 -1.365 1.00 0.00 C ATOM 0 H ILE A 6 0.390 -0.467 -1.856 1.00 0.00 H new ATOM 0 HA ILE A 6 1.679 -0.066 -4.432 1.00 0.00 H new ATOM 0 HB ILE A 6 2.099 2.244 -3.515 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.222 1.344 -1.296 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.941 1.631 -1.105 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.237 3.000 -3.826 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.218 1.769 -5.028 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.800 1.322 -3.639 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.639 3.533 -0.292 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.623 4.007 -1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.122 3.715 -1.891 1.00 0.00 H new ATOM 90 N CYS A 7 4.023 -0.065 -3.628 1.00 0.00 N ATOM 91 CA CYS A 7 5.395 -0.266 -3.235 1.00 0.00 C ATOM 92 C CYS A 7 6.220 0.914 -3.669 1.00 0.00 C ATOM 93 O CYS A 7 6.036 1.432 -4.772 1.00 0.00 O ATOM 94 CB CYS A 7 5.974 -1.540 -3.852 1.00 0.00 C ATOM 95 SG CYS A 7 5.187 -3.096 -3.310 1.00 0.00 S ATOM 0 H CYS A 7 3.904 0.145 -4.619 1.00 0.00 H new ATOM 0 HA CYS A 7 5.423 -0.368 -2.150 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.892 -1.469 -4.937 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.037 -1.588 -3.616 1.00 0.00 H new ATOM 100 N GLY A 8 7.094 1.348 -2.812 1.00 0.00 N ATOM 101 CA GLY A 8 7.964 2.443 -3.132 1.00 0.00 C ATOM 102 C GLY A 8 9.306 1.932 -3.577 1.00 0.00 C ATOM 103 O GLY A 8 9.401 1.183 -4.554 1.00 0.00 O ATOM 0 H GLY A 8 7.225 0.958 -1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.519 3.051 -3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.083 3.088 -2.261 1.00 0.00 H new ATOM 107 N ARG A 9 10.332 2.289 -2.858 1.00 0.00 N ATOM 108 CA ARG A 9 11.665 1.841 -3.172 1.00 0.00 C ATOM 109 C ARG A 9 11.981 0.515 -2.478 1.00 0.00 C ATOM 110 O ARG A 9 12.935 -0.176 -2.843 1.00 0.00 O ATOM 111 CB ARG A 9 12.700 2.912 -2.821 1.00 0.00 C ATOM 112 CG ARG A 9 12.739 3.322 -1.355 1.00 0.00 C ATOM 113 CD ARG A 9 13.775 4.407 -1.125 1.00 0.00 C ATOM 114 NE ARG A 9 13.482 5.628 -1.901 1.00 0.00 N ATOM 115 CZ ARG A 9 14.382 6.566 -2.239 1.00 0.00 C ATOM 116 NH1 ARG A 9 15.663 6.417 -1.911 1.00 0.00 N ATOM 117 NH2 ARG A 9 14.000 7.646 -2.917 1.00 0.00 N ATOM 0 H ARG A 9 10.272 2.896 -2.040 1.00 0.00 H new ATOM 0 HA ARG A 9 11.715 1.669 -4.247 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.687 2.548 -3.106 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.501 3.798 -3.424 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.757 3.680 -1.047 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.971 2.455 -0.736 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.812 4.653 -0.064 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.760 4.031 -1.400 1.00 0.00 H new ATOM 0 HE ARG A 9 12.519 5.771 -2.205 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.966 5.587 -1.400 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.342 7.132 -2.170 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.022 7.763 -3.181 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.686 8.357 -3.172 1.00 0.00 H new ATOM 131 N ARG A 10 11.169 0.154 -1.488 1.00 0.00 N ATOM 132 CA ARG A 10 11.356 -1.111 -0.770 1.00 0.00 C ATOM 133 C ARG A 10 10.120 -1.505 0.012 1.00 0.00 C ATOM 134 O ARG A 10 9.741 -2.681 0.083 1.00 0.00 O ATOM 135 CB ARG A 10 12.585 -1.058 0.160 1.00 0.00 C ATOM 136 CG ARG A 10 12.833 -2.358 0.902 1.00 0.00 C ATOM 137 CD ARG A 10 14.128 -2.340 1.691 1.00 0.00 C ATOM 138 NE ARG A 10 14.172 -1.327 2.756 1.00 0.00 N ATOM 139 CZ ARG A 10 15.283 -1.048 3.457 1.00 0.00 C ATOM 140 NH1 ARG A 10 16.410 -1.709 3.202 1.00 0.00 N ATOM 141 NH2 ARG A 10 15.263 -0.130 4.411 1.00 0.00 N ATOM 0 H ARG A 10 10.380 0.713 -1.164 1.00 0.00 H new ATOM 0 HA ARG A 10 11.532 -1.876 -1.526 1.00 0.00 H new ATOM 0 HB2 ARG A 10 13.468 -0.810 -0.430 1.00 0.00 H new ATOM 0 HB3 ARG A 10 12.450 -0.255 0.884 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.001 -2.550 1.580 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.858 -3.181 0.188 1.00 0.00 H new ATOM 0 HD2 ARG A 10 14.284 -3.324 2.134 1.00 0.00 H new ATOM 0 HD3 ARG A 10 14.956 -2.165 1.004 1.00 0.00 H new ATOM 0 HE ARG A 10 13.319 -0.812 2.972 1.00 0.00 H new ATOM 0 HH11 ARG A 10 16.428 -2.425 2.476 1.00 0.00 H new ATOM 0 HH12 ARG A 10 17.255 -1.499 3.733 1.00 0.00 H new ATOM 0 HH21 ARG A 10 14.399 0.371 4.618 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.111 0.076 4.939 1.00 0.00 H new ATOM 155 N ILE A 11 9.513 -0.541 0.579 1.00 0.00 N ATOM 156 CA ILE A 11 8.358 -0.739 1.423 1.00 0.00 C ATOM 157 C ILE A 11 7.111 -0.879 0.561 1.00 0.00 C ATOM 158 O ILE A 11 7.022 -0.303 -0.533 1.00 0.00 O ATOM 159 CB ILE A 11 8.186 0.453 2.413 1.00 0.00 C ATOM 160 CG1 ILE A 11 9.472 0.686 3.217 1.00 0.00 C ATOM 161 CG2 ILE A 11 6.995 0.256 3.349 1.00 0.00 C ATOM 162 CD1 ILE A 11 9.395 1.848 4.185 1.00 0.00 C ATOM 0 H ILE A 11 9.793 0.435 0.482 1.00 0.00 H new ATOM 0 HA ILE A 11 8.504 -1.650 2.003 1.00 0.00 H new ATOM 0 HB ILE A 11 7.984 1.340 1.813 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.709 -0.221 3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.295 0.859 2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.915 1.111 4.020 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.081 0.169 2.761 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.138 -0.652 3.934 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.343 1.945 4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.190 2.767 3.635 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.596 1.670 4.904 1.00 0.00 H new ATOM 174 N CYS A 12 6.187 -1.642 1.048 1.00 0.00 N ATOM 175 CA CYS A 12 4.927 -1.871 0.402 1.00 0.00 C ATOM 176 C CYS A 12 3.854 -1.815 1.447 1.00 0.00 C ATOM 177 O CYS A 12 4.126 -2.013 2.635 1.00 0.00 O ATOM 178 CB CYS A 12 4.863 -3.225 -0.295 1.00 0.00 C ATOM 179 SG CYS A 12 6.144 -3.521 -1.568 1.00 0.00 S ATOM 0 H CYS A 12 6.287 -2.140 1.933 1.00 0.00 H new ATOM 0 HA CYS A 12 4.793 -1.105 -0.362 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.940 -4.007 0.461 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.883 -3.328 -0.761 1.00 0.00 H new ATOM 184 N ARG A 13 2.664 -1.559 1.023 1.00 0.00 N ATOM 185 CA ARG A 13 1.538 -1.442 1.913 1.00 0.00 C ATOM 186 C ARG A 13 0.264 -1.550 1.114 1.00 0.00 C ATOM 187 O ARG A 13 0.146 -0.941 0.043 1.00 0.00 O ATOM 188 CB ARG A 13 1.597 -0.088 2.637 1.00 0.00 C ATOM 189 CG ARG A 13 0.503 0.159 3.660 1.00 0.00 C ATOM 190 CD ARG A 13 0.724 1.497 4.334 1.00 0.00 C ATOM 191 NE ARG A 13 -0.277 1.791 5.357 1.00 0.00 N ATOM 192 CZ ARG A 13 -0.083 2.626 6.392 1.00 0.00 C ATOM 193 NH1 ARG A 13 1.086 3.279 6.533 1.00 0.00 N ATOM 194 NH2 ARG A 13 -1.061 2.823 7.275 1.00 0.00 N ATOM 0 H ARG A 13 2.433 -1.422 0.039 1.00 0.00 H new ATOM 0 HA ARG A 13 1.565 -2.240 2.655 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.562 -0.006 3.137 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.556 0.705 1.890 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.472 0.143 3.174 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.502 -0.638 4.404 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.715 1.510 4.788 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.708 2.285 3.581 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.184 1.331 5.280 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.832 3.142 5.851 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.225 3.911 7.321 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.953 2.341 7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.918 3.456 8.062 1.00 0.00 H new ATOM 208 N CYS A 14 -0.647 -2.348 1.581 1.00 0.00 N ATOM 209 CA CYS A 14 -1.918 -2.457 0.977 1.00 0.00 C ATOM 210 C CYS A 14 -2.851 -1.506 1.666 1.00 0.00 C ATOM 211 O CYS A 14 -3.348 -1.763 2.766 1.00 0.00 O ATOM 212 CB CYS A 14 -2.407 -3.894 1.021 1.00 0.00 C ATOM 213 SG CYS A 14 -1.287 -5.071 0.161 1.00 0.00 S ATOM 0 H CYS A 14 -0.517 -2.943 2.400 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.868 -2.186 -0.078 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.516 -4.201 2.061 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.397 -3.948 0.567 1.00 0.00 H new ATOM 218 N ILE A 15 -3.035 -0.382 1.035 1.00 0.00 N ATOM 219 CA ILE A 15 -3.841 0.673 1.555 1.00 0.00 C ATOM 220 C ILE A 15 -5.278 0.396 1.219 1.00 0.00 C ATOM 221 O ILE A 15 -5.572 -0.138 0.149 1.00 0.00 O ATOM 222 CB ILE A 15 -3.403 2.065 1.001 1.00 0.00 C ATOM 223 CG1 ILE A 15 -3.505 2.109 -0.539 1.00 0.00 C ATOM 224 CG2 ILE A 15 -1.975 2.369 1.450 1.00 0.00 C ATOM 225 CD1 ILE A 15 -3.194 3.458 -1.151 1.00 0.00 C ATOM 0 H ILE A 15 -2.619 -0.174 0.127 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.714 0.710 2.637 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.076 2.825 1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.823 1.369 -0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.513 1.815 -0.832 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.671 3.341 1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.931 2.383 2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.303 1.600 1.070 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.290 3.397 -2.235 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.892 4.202 -0.766 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.176 3.749 -0.893 1.00 0.00 H new ATOM 237 N CYS A 16 -6.154 0.704 2.118 1.00 0.00 N ATOM 238 CA CYS A 16 -7.542 0.428 1.910 1.00 0.00 C ATOM 239 C CYS A 16 -8.398 1.580 2.320 1.00 0.00 C ATOM 240 O CYS A 16 -8.168 2.206 3.372 1.00 0.00 O ATOM 241 CB CYS A 16 -7.991 -0.805 2.693 1.00 0.00 C ATOM 242 SG CYS A 16 -7.227 -2.381 2.204 1.00 0.00 S ATOM 0 H CYS A 16 -5.934 1.149 3.009 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.660 0.247 0.842 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.783 -0.636 3.750 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -9.072 -0.901 2.592 1.00 0.00 H new ATOM 247 N GLY A 17 -9.367 1.868 1.500 1.00 0.00 N ATOM 248 CA GLY A 17 -10.359 2.819 1.850 1.00 0.00 C ATOM 249 C GLY A 17 -11.549 2.057 2.347 1.00 0.00 C ATOM 250 O GLY A 17 -11.425 1.238 3.270 1.00 0.00 O ATOM 0 H GLY A 17 -9.484 1.448 0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.988 3.497 2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.626 3.431 0.988 1.00 0.00 H new ATOM 254 N ARG A 18 -12.670 2.262 1.749 1.00 0.00 N ATOM 255 CA ARG A 18 -13.834 1.497 2.075 1.00 0.00 C ATOM 256 C ARG A 18 -14.370 0.843 0.823 1.00 0.00 C ATOM 257 O ARG A 18 -15.143 1.436 0.074 1.00 0.00 O ATOM 258 CB ARG A 18 -14.901 2.336 2.781 1.00 0.00 C ATOM 259 CG ARG A 18 -14.492 2.827 4.159 1.00 0.00 C ATOM 260 CD ARG A 18 -15.614 3.590 4.815 1.00 0.00 C ATOM 261 NE ARG A 18 -15.262 4.081 6.155 1.00 0.00 N ATOM 262 CZ ARG A 18 -16.037 4.882 6.890 1.00 0.00 C ATOM 263 NH1 ARG A 18 -17.216 5.279 6.421 1.00 0.00 N ATOM 264 NH2 ARG A 18 -15.640 5.272 8.096 1.00 0.00 N ATOM 0 H ARG A 18 -12.812 2.962 1.021 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.549 0.721 2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -15.143 3.197 2.157 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.811 1.744 2.873 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.211 1.978 4.783 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.613 3.466 4.075 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.890 4.435 4.184 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -16.491 2.947 4.888 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.367 3.791 6.549 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.528 4.972 5.500 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.808 5.891 6.982 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.741 4.960 8.463 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.234 5.884 8.655 1.00 0.00 H new TER 278 ARG A 18