USER MOD reduce.3.24.130724 H: found=0, std=0, add=144, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 144 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= -0.0343 (180deg=-0.0343) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.231 -2.539 -0.986 1.00 0.00 N ATOM 2 CA GLY A 1 -12.143 -3.506 -2.052 1.00 0.00 C ATOM 3 C GLY A 1 -10.854 -3.410 -2.843 1.00 0.00 C ATOM 4 O GLY A 1 -10.478 -4.351 -3.539 1.00 0.00 O ATOM 0 H2 GLY A 1 -13.134 -2.657 -0.484 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.230 -4.508 -1.632 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.987 -3.369 -2.728 1.00 0.00 H new ATOM 8 N VAL A 2 -10.176 -2.287 -2.761 1.00 0.00 N ATOM 9 CA VAL A 2 -8.957 -2.121 -3.500 1.00 0.00 C ATOM 10 C VAL A 2 -7.760 -2.217 -2.575 1.00 0.00 C ATOM 11 O VAL A 2 -7.569 -1.374 -1.704 1.00 0.00 O ATOM 12 CB VAL A 2 -8.928 -0.776 -4.287 1.00 0.00 C ATOM 13 CG1 VAL A 2 -7.604 -0.605 -5.035 1.00 0.00 C ATOM 14 CG2 VAL A 2 -10.091 -0.712 -5.267 1.00 0.00 C ATOM 0 H VAL A 2 -10.450 -1.485 -2.194 1.00 0.00 H new ATOM 0 HA VAL A 2 -8.909 -2.928 -4.231 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.023 0.037 -3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.611 0.342 -5.575 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.780 -0.609 -4.322 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.477 -1.425 -5.742 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.058 0.233 -5.810 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.017 -1.539 -5.973 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.031 -0.784 -4.721 1.00 0.00 H new ATOM 24 N CYS A 3 -7.000 -3.263 -2.715 1.00 0.00 N ATOM 25 CA CYS A 3 -5.789 -3.381 -1.961 1.00 0.00 C ATOM 26 C CYS A 3 -4.619 -3.034 -2.835 1.00 0.00 C ATOM 27 O CYS A 3 -4.405 -3.638 -3.895 1.00 0.00 O ATOM 28 CB CYS A 3 -5.620 -4.765 -1.328 1.00 0.00 C ATOM 29 SG CYS A 3 -6.860 -5.167 -0.048 1.00 0.00 S ATOM 0 H CYS A 3 -7.197 -4.043 -3.342 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.841 -2.677 -1.131 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.670 -5.519 -2.114 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.626 -4.830 -0.886 1.00 0.00 H new ATOM 34 N ARG A 4 -3.898 -2.050 -2.415 1.00 0.00 N ATOM 35 CA ARG A 4 -2.749 -1.568 -3.108 1.00 0.00 C ATOM 36 C ARG A 4 -1.514 -2.005 -2.358 1.00 0.00 C ATOM 37 O ARG A 4 -1.314 -1.612 -1.212 1.00 0.00 O ATOM 38 CB ARG A 4 -2.796 -0.038 -3.171 1.00 0.00 C ATOM 39 CG ARG A 4 -1.588 0.608 -3.833 1.00 0.00 C ATOM 40 CD ARG A 4 -1.678 2.123 -3.775 1.00 0.00 C ATOM 41 NE ARG A 4 -2.850 2.635 -4.495 1.00 0.00 N ATOM 42 CZ ARG A 4 -3.397 3.843 -4.317 1.00 0.00 C ATOM 43 NH1 ARG A 4 -2.856 4.718 -3.466 1.00 0.00 N ATOM 44 NH2 ARG A 4 -4.477 4.176 -4.999 1.00 0.00 N ATOM 0 H ARG A 4 -4.097 -1.542 -1.553 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.729 -1.968 -4.122 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -3.694 0.262 -3.712 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -2.889 0.351 -2.157 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.676 0.275 -3.337 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -1.522 0.284 -4.872 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.724 2.443 -2.734 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.773 2.556 -4.202 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.282 2.021 -5.186 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.017 4.469 -2.943 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.282 5.636 -3.339 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.889 3.514 -5.657 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.899 5.095 -4.868 1.00 0.00 H new ATOM 58 N CYS A 5 -0.726 -2.825 -2.957 1.00 0.00 N ATOM 59 CA CYS A 5 0.500 -3.233 -2.344 1.00 0.00 C ATOM 60 C CYS A 5 1.631 -2.654 -3.121 1.00 0.00 C ATOM 61 O CYS A 5 1.684 -2.762 -4.354 1.00 0.00 O ATOM 62 CB CYS A 5 0.631 -4.739 -2.267 1.00 0.00 C ATOM 63 SG CYS A 5 -0.729 -5.576 -1.380 1.00 0.00 S ATOM 0 H CYS A 5 -0.904 -3.232 -3.875 1.00 0.00 H new ATOM 0 HA CYS A 5 0.513 -2.867 -1.317 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.686 -5.138 -3.280 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.573 -4.984 -1.776 1.00 0.00 H new ATOM 68 N VAL A 6 2.504 -2.034 -2.429 1.00 0.00 N ATOM 69 CA VAL A 6 3.621 -1.370 -3.015 1.00 0.00 C ATOM 70 C VAL A 6 4.864 -1.705 -2.207 1.00 0.00 C ATOM 71 O VAL A 6 4.798 -1.825 -0.970 1.00 0.00 O ATOM 72 CB VAL A 6 3.376 0.177 -3.090 1.00 0.00 C ATOM 73 CG1 VAL A 6 3.187 0.806 -1.709 1.00 0.00 C ATOM 74 CG2 VAL A 6 4.474 0.881 -3.866 1.00 0.00 C ATOM 0 H VAL A 6 2.470 -1.966 -1.412 1.00 0.00 H new ATOM 0 HA VAL A 6 3.761 -1.714 -4.040 1.00 0.00 H new ATOM 0 HB VAL A 6 2.441 0.315 -3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.021 1.878 -1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.326 0.353 -1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.079 0.636 -1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.269 1.951 -3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.433 0.709 -3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.509 0.489 -4.883 1.00 0.00 H new ATOM 84 N CYS A 7 5.952 -1.926 -2.878 1.00 0.00 N ATOM 85 CA CYS A 7 7.174 -2.252 -2.216 1.00 0.00 C ATOM 86 C CYS A 7 8.134 -1.102 -2.270 1.00 0.00 C ATOM 87 O CYS A 7 8.248 -0.413 -3.291 1.00 0.00 O ATOM 88 CB CYS A 7 7.787 -3.520 -2.788 1.00 0.00 C ATOM 89 SG CYS A 7 6.675 -4.968 -2.743 1.00 0.00 S ATOM 0 H CYS A 7 6.017 -1.885 -3.895 1.00 0.00 H new ATOM 0 HA CYS A 7 6.949 -2.445 -1.167 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.083 -3.334 -3.820 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.695 -3.755 -2.233 1.00 0.00 H new ATOM 94 N ARG A 8 8.764 -0.847 -1.157 1.00 0.00 N ATOM 95 CA ARG A 8 9.733 0.194 -1.066 1.00 0.00 C ATOM 96 C ARG A 8 10.889 -0.238 -0.201 1.00 0.00 C ATOM 97 O ARG A 8 10.712 -0.545 0.997 1.00 0.00 O ATOM 98 CB ARG A 8 9.104 1.475 -0.526 1.00 0.00 C ATOM 99 CG ARG A 8 10.058 2.661 -0.473 1.00 0.00 C ATOM 100 CD ARG A 8 9.299 3.941 -0.204 1.00 0.00 C ATOM 101 NE ARG A 8 8.308 4.204 -1.261 1.00 0.00 N ATOM 102 CZ ARG A 8 7.337 5.119 -1.206 1.00 0.00 C ATOM 103 NH1 ARG A 8 7.168 5.859 -0.111 1.00 0.00 N ATOM 104 NH2 ARG A 8 6.521 5.272 -2.238 1.00 0.00 N ATOM 0 H ARG A 8 8.615 -1.360 -0.288 1.00 0.00 H new ATOM 0 HA ARG A 8 10.110 0.400 -2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.249 1.738 -1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.722 1.285 0.477 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.802 2.502 0.307 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.598 2.743 -1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.796 3.873 0.761 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.998 4.775 -0.141 1.00 0.00 H new ATOM 0 HE ARG A 8 8.368 3.639 -2.108 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.783 5.729 0.693 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.424 6.556 -0.076 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.636 4.692 -3.069 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.778 5.969 -2.201 1.00 0.00 H new ATOM 118 N ARG A 9 12.049 -0.318 -0.823 1.00 0.00 N ATOM 119 CA ARG A 9 13.312 -0.636 -0.165 1.00 0.00 C ATOM 120 C ARG A 9 13.233 -2.012 0.512 1.00 0.00 C ATOM 121 O ARG A 9 13.704 -2.219 1.633 1.00 0.00 O ATOM 122 CB ARG A 9 13.669 0.510 0.809 1.00 0.00 C ATOM 123 CG ARG A 9 15.081 0.502 1.370 1.00 0.00 C ATOM 124 CD ARG A 9 15.360 1.812 2.086 1.00 0.00 C ATOM 125 NE ARG A 9 15.162 2.955 1.175 1.00 0.00 N ATOM 126 CZ ARG A 9 15.197 4.250 1.503 1.00 0.00 C ATOM 127 NH1 ARG A 9 15.489 4.625 2.740 1.00 0.00 N ATOM 128 NH2 ARG A 9 14.940 5.166 0.574 1.00 0.00 N ATOM 0 H ARG A 9 12.147 -0.160 -1.826 1.00 0.00 H new ATOM 0 HA ARG A 9 14.119 -0.710 -0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.511 1.458 0.295 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.969 0.480 1.644 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.203 -0.333 2.060 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.801 0.357 0.564 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.700 1.909 2.948 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.382 1.815 2.465 1.00 0.00 H new ATOM 0 HE ARG A 9 14.980 2.735 0.196 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.690 3.923 3.452 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.513 5.616 2.980 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.719 4.878 -0.379 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.964 6.157 0.814 1.00 0.00 H new ATOM 142 N GLY A 10 12.575 -2.936 -0.167 1.00 0.00 N ATOM 143 CA GLY A 10 12.439 -4.288 0.328 1.00 0.00 C ATOM 144 C GLY A 10 11.205 -4.477 1.188 1.00 0.00 C ATOM 145 O GLY A 10 10.758 -5.604 1.404 1.00 0.00 O ATOM 0 H GLY A 10 12.126 -2.769 -1.067 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.397 -4.977 -0.516 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.324 -4.548 0.908 1.00 0.00 H new ATOM 149 N VAL A 11 10.643 -3.393 1.661 1.00 0.00 N ATOM 150 CA VAL A 11 9.495 -3.460 2.527 1.00 0.00 C ATOM 151 C VAL A 11 8.232 -3.316 1.701 1.00 0.00 C ATOM 152 O VAL A 11 7.992 -2.266 1.097 1.00 0.00 O ATOM 153 CB VAL A 11 9.535 -2.350 3.619 1.00 0.00 C ATOM 154 CG1 VAL A 11 8.362 -2.489 4.585 1.00 0.00 C ATOM 155 CG2 VAL A 11 10.858 -2.376 4.376 1.00 0.00 C ATOM 0 H VAL A 11 10.966 -2.447 1.458 1.00 0.00 H new ATOM 0 HA VAL A 11 9.506 -4.426 3.031 1.00 0.00 H new ATOM 0 HB VAL A 11 9.449 -1.387 3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.415 -1.702 5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.425 -2.403 4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.407 -3.462 5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.860 -1.591 5.132 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.982 -3.345 4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.679 -2.210 3.679 1.00 0.00 H new ATOM 165 N CYS A 12 7.466 -4.367 1.617 1.00 0.00 N ATOM 166 CA CYS A 12 6.212 -4.309 0.923 1.00 0.00 C ATOM 167 C CYS A 12 5.105 -4.008 1.892 1.00 0.00 C ATOM 168 O CYS A 12 5.059 -4.567 2.988 1.00 0.00 O ATOM 169 CB CYS A 12 5.946 -5.588 0.143 1.00 0.00 C ATOM 170 SG CYS A 12 7.243 -5.975 -1.086 1.00 0.00 S ATOM 0 H CYS A 12 7.689 -5.276 2.022 1.00 0.00 H new ATOM 0 HA CYS A 12 6.257 -3.502 0.192 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.860 -6.420 0.842 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.987 -5.500 -0.368 1.00 0.00 H new ATOM 175 N ARG A 13 4.255 -3.100 1.515 1.00 0.00 N ATOM 176 CA ARG A 13 3.177 -2.667 2.354 1.00 0.00 C ATOM 177 C ARG A 13 1.889 -2.634 1.550 1.00 0.00 C ATOM 178 O ARG A 13 1.890 -2.215 0.387 1.00 0.00 O ATOM 179 CB ARG A 13 3.515 -1.280 2.903 1.00 0.00 C ATOM 180 CG ARG A 13 2.455 -0.655 3.784 1.00 0.00 C ATOM 181 CD ARG A 13 2.919 0.699 4.276 1.00 0.00 C ATOM 182 NE ARG A 13 1.895 1.394 5.056 1.00 0.00 N ATOM 183 CZ ARG A 13 2.122 2.473 5.817 1.00 0.00 C ATOM 184 NH1 ARG A 13 3.359 2.934 5.969 1.00 0.00 N ATOM 185 NH2 ARG A 13 1.113 3.077 6.432 1.00 0.00 N ATOM 0 H ARG A 13 4.290 -2.635 0.608 1.00 0.00 H new ATOM 0 HA ARG A 13 3.039 -3.357 3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.442 -1.349 3.472 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.706 -0.612 2.063 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.524 -0.549 3.227 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.246 -1.307 4.632 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.813 0.573 4.887 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.201 1.315 3.422 1.00 0.00 H new ATOM 0 HE ARG A 13 0.942 1.032 5.018 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.138 2.466 5.506 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.529 3.756 6.549 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.164 2.720 6.326 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.287 3.898 7.011 1.00 0.00 H new ATOM 199 N CYS A 14 0.817 -3.093 2.142 1.00 0.00 N ATOM 200 CA CYS A 14 -0.465 -3.081 1.487 1.00 0.00 C ATOM 201 C CYS A 14 -1.413 -2.147 2.188 1.00 0.00 C ATOM 202 O CYS A 14 -1.467 -2.085 3.417 1.00 0.00 O ATOM 203 CB CYS A 14 -1.074 -4.467 1.418 1.00 0.00 C ATOM 204 SG CYS A 14 -0.055 -5.691 0.533 1.00 0.00 S ATOM 0 H CYS A 14 0.807 -3.483 3.085 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.300 -2.730 0.468 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.251 -4.824 2.433 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.046 -4.400 0.930 1.00 0.00 H new ATOM 209 N VAL A 15 -2.112 -1.402 1.408 1.00 0.00 N ATOM 210 CA VAL A 15 -3.119 -0.495 1.876 1.00 0.00 C ATOM 211 C VAL A 15 -4.424 -0.948 1.262 1.00 0.00 C ATOM 212 O VAL A 15 -4.551 -0.979 0.039 1.00 0.00 O ATOM 213 CB VAL A 15 -2.829 0.968 1.407 1.00 0.00 C ATOM 214 CG1 VAL A 15 -3.871 1.942 1.949 1.00 0.00 C ATOM 215 CG2 VAL A 15 -1.425 1.415 1.806 1.00 0.00 C ATOM 0 H VAL A 15 -2.002 -1.401 0.394 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.145 -0.499 2.966 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.890 0.973 0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.641 2.950 1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.859 1.654 1.591 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.858 1.919 3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.257 2.436 1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.325 1.374 2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.689 0.754 1.349 1.00 0.00 H new ATOM 225 N CYS A 16 -5.346 -1.350 2.067 1.00 0.00 N ATOM 226 CA CYS A 16 -6.624 -1.758 1.574 1.00 0.00 C ATOM 227 C CYS A 16 -7.639 -0.680 1.791 1.00 0.00 C ATOM 228 O CYS A 16 -7.796 -0.155 2.900 1.00 0.00 O ATOM 229 CB CYS A 16 -7.075 -3.080 2.161 1.00 0.00 C ATOM 230 SG CYS A 16 -6.025 -4.500 1.687 1.00 0.00 S ATOM 0 H CYS A 16 -5.241 -1.407 3.080 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.524 -1.921 0.501 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.088 -2.998 3.248 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.099 -3.276 1.844 1.00 0.00 H new ATOM 235 N ARG A 17 -8.299 -0.333 0.740 1.00 0.00 N ATOM 236 CA ARG A 17 -9.246 0.721 0.753 1.00 0.00 C ATOM 237 C ARG A 17 -10.449 0.322 -0.072 1.00 0.00 C ATOM 238 O ARG A 17 -10.391 0.329 -1.309 1.00 0.00 O ATOM 239 CB ARG A 17 -8.611 1.984 0.168 1.00 0.00 C ATOM 240 CG ARG A 17 -9.413 3.252 0.390 1.00 0.00 C ATOM 241 CD ARG A 17 -9.477 3.584 1.872 1.00 0.00 C ATOM 242 NE ARG A 17 -10.091 4.886 2.140 1.00 0.00 N ATOM 243 CZ ARG A 17 -10.297 5.388 3.373 1.00 0.00 C ATOM 244 NH1 ARG A 17 -10.004 4.658 4.455 1.00 0.00 N ATOM 245 NH2 ARG A 17 -10.799 6.608 3.523 1.00 0.00 N ATOM 0 H ARG A 17 -8.191 -0.784 -0.168 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.561 0.920 1.777 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.621 2.114 0.606 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.470 1.842 -0.903 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.957 4.079 -0.155 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.421 3.127 -0.005 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.043 2.808 2.388 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.469 3.572 2.285 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.382 5.450 1.341 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.623 3.718 4.348 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.161 5.042 5.387 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.030 7.169 2.703 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.954 6.984 4.458 1.00 0.00 H new ATOM 259 N ARG A 18 -11.495 -0.101 0.625 1.00 0.00 N ATOM 260 CA ARG A 18 -12.796 -0.438 0.045 1.00 0.00 C ATOM 261 C ARG A 18 -12.675 -1.331 -1.200 1.00 0.00 C ATOM 262 O ARG A 18 -12.901 -0.891 -2.339 1.00 0.00 O ATOM 263 CB ARG A 18 -13.604 0.837 -0.236 1.00 0.00 C ATOM 264 CG ARG A 18 -15.013 0.584 -0.765 1.00 0.00 C ATOM 265 CD ARG A 18 -15.781 1.870 -0.924 1.00 0.00 C ATOM 266 NE ARG A 18 -15.945 2.562 0.361 1.00 0.00 N ATOM 267 CZ ARG A 18 -16.511 3.761 0.514 1.00 0.00 C ATOM 268 NH1 ARG A 18 -16.889 4.472 -0.556 1.00 0.00 N ATOM 269 NH2 ARG A 18 -16.669 4.265 1.731 1.00 0.00 N ATOM 0 H ARG A 18 -11.465 -0.224 1.637 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.340 -1.030 0.781 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.673 1.419 0.683 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.061 1.445 -0.959 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.956 0.072 -1.725 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.546 -0.078 -0.082 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.260 2.522 -1.625 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -16.761 1.659 -1.352 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.601 2.092 1.198 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.745 4.098 -1.494 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.321 5.388 -0.433 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.358 3.736 2.546 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -17.101 5.181 1.851 1.00 0.00 H new TER 283 ARG A 18