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= -0.215 (180deg=-0.215) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.787 -3.044 0.060 1.00 0.00 N ATOM 2 CA GLY A 1 -11.497 -4.301 -0.583 1.00 0.00 C ATOM 3 C GLY A 1 -10.459 -4.158 -1.667 1.00 0.00 C ATOM 4 O GLY A 1 -9.818 -5.138 -2.056 1.00 0.00 O ATOM 0 H2 GLY A 1 -12.505 -3.189 0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.147 -5.016 0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.413 -4.709 -1.010 1.00 0.00 H new ATOM 8 N VAL A 2 -10.275 -2.943 -2.135 1.00 0.00 N ATOM 9 CA VAL A 2 -9.323 -2.650 -3.186 1.00 0.00 C ATOM 10 C VAL A 2 -7.972 -2.385 -2.549 1.00 0.00 C ATOM 11 O VAL A 2 -7.829 -1.467 -1.750 1.00 0.00 O ATOM 12 CB VAL A 2 -9.776 -1.408 -4.006 1.00 0.00 C ATOM 13 CG1 VAL A 2 -8.787 -1.085 -5.118 1.00 0.00 C ATOM 14 CG2 VAL A 2 -11.165 -1.632 -4.588 1.00 0.00 C ATOM 0 H VAL A 2 -10.783 -2.126 -1.796 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.259 -3.499 -3.867 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.809 -0.556 -3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.134 -0.212 -5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.809 -0.875 -4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.710 -1.936 -5.795 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -11.466 -0.754 -5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.149 -2.503 -5.244 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.876 -1.801 -3.779 1.00 0.00 H new ATOM 24 N CYS A 3 -6.999 -3.179 -2.868 1.00 0.00 N ATOM 25 CA CYS A 3 -5.709 -3.036 -2.250 1.00 0.00 C ATOM 26 C CYS A 3 -4.669 -2.525 -3.225 1.00 0.00 C ATOM 27 O CYS A 3 -4.587 -2.987 -4.364 1.00 0.00 O ATOM 28 CB CYS A 3 -5.257 -4.355 -1.630 1.00 0.00 C ATOM 29 SG CYS A 3 -6.324 -4.959 -0.277 1.00 0.00 S ATOM 0 H CYS A 3 -7.068 -3.933 -3.551 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.810 -2.293 -1.459 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.217 -5.114 -2.411 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.243 -4.235 -1.250 1.00 0.00 H new ATOM 34 N ARG A 4 -3.909 -1.550 -2.790 1.00 0.00 N ATOM 35 CA ARG A 4 -2.815 -1.004 -3.572 1.00 0.00 C ATOM 36 C ARG A 4 -1.523 -1.219 -2.814 1.00 0.00 C ATOM 37 O ARG A 4 -1.422 -0.843 -1.649 1.00 0.00 O ATOM 38 CB ARG A 4 -3.033 0.484 -3.844 1.00 0.00 C ATOM 39 CG ARG A 4 -4.265 0.773 -4.682 1.00 0.00 C ATOM 40 CD ARG A 4 -4.439 2.258 -4.931 1.00 0.00 C ATOM 41 NE ARG A 4 -5.600 2.521 -5.789 1.00 0.00 N ATOM 42 CZ ARG A 4 -5.840 3.663 -6.446 1.00 0.00 C ATOM 43 NH1 ARG A 4 -5.007 4.695 -6.329 1.00 0.00 N ATOM 44 NH2 ARG A 4 -6.920 3.765 -7.215 1.00 0.00 N ATOM 0 H ARG A 4 -4.029 -1.107 -1.879 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.767 -1.513 -4.535 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -3.119 1.010 -2.893 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -2.156 0.885 -4.352 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.187 0.251 -5.636 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -5.148 0.383 -4.177 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.562 2.777 -3.980 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.540 2.659 -5.399 1.00 0.00 H new ATOM 0 HE ARG A 4 -6.282 1.770 -5.894 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.180 4.619 -5.736 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.195 5.562 -6.832 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.560 2.976 -7.302 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -7.108 4.632 -7.718 1.00 0.00 H new ATOM 58 N CYS A 5 -0.564 -1.839 -3.440 1.00 0.00 N ATOM 59 CA CYS A 5 0.679 -2.158 -2.777 1.00 0.00 C ATOM 60 C CYS A 5 1.807 -1.335 -3.328 1.00 0.00 C ATOM 61 O CYS A 5 1.906 -1.127 -4.540 1.00 0.00 O ATOM 62 CB CYS A 5 1.000 -3.635 -2.911 1.00 0.00 C ATOM 63 SG CYS A 5 -0.347 -4.754 -2.359 1.00 0.00 S ATOM 0 H CYS A 5 -0.615 -2.137 -4.414 1.00 0.00 H new ATOM 0 HA CYS A 5 0.561 -1.922 -1.720 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.232 -3.851 -3.954 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.898 -3.854 -2.333 1.00 0.00 H new ATOM 68 N VAL A 6 2.624 -0.838 -2.446 1.00 0.00 N ATOM 69 CA VAL A 6 3.787 -0.058 -2.807 1.00 0.00 C ATOM 70 C VAL A 6 4.939 -0.548 -1.941 1.00 0.00 C ATOM 71 O VAL A 6 4.740 -0.861 -0.754 1.00 0.00 O ATOM 72 CB VAL A 6 3.582 1.483 -2.576 1.00 0.00 C ATOM 73 CG1 VAL A 6 4.759 2.277 -3.127 1.00 0.00 C ATOM 74 CG2 VAL A 6 2.281 1.986 -3.195 1.00 0.00 C ATOM 0 H VAL A 6 2.506 -0.961 -1.440 1.00 0.00 H new ATOM 0 HA VAL A 6 3.983 -0.189 -3.871 1.00 0.00 H new ATOM 0 HB VAL A 6 3.522 1.636 -1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.593 3.340 -2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.675 1.967 -2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.853 2.093 -4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.180 3.056 -3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.294 1.802 -4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.438 1.460 -2.747 1.00 0.00 H new ATOM 84 N CYS A 7 6.104 -0.670 -2.510 1.00 0.00 N ATOM 85 CA CYS A 7 7.238 -1.132 -1.762 1.00 0.00 C ATOM 86 C CYS A 7 8.157 0.022 -1.427 1.00 0.00 C ATOM 87 O CYS A 7 8.408 0.900 -2.261 1.00 0.00 O ATOM 88 CB CYS A 7 7.978 -2.244 -2.508 1.00 0.00 C ATOM 89 SG CYS A 7 6.931 -3.696 -2.931 1.00 0.00 S ATOM 0 H CYS A 7 6.294 -0.456 -3.489 1.00 0.00 H new ATOM 0 HA CYS A 7 6.880 -1.558 -0.825 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.397 -1.833 -3.426 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.816 -2.580 -1.897 1.00 0.00 H new ATOM 94 N ARG A 8 8.612 0.046 -0.204 1.00 0.00 N ATOM 95 CA ARG A 8 9.491 1.081 0.272 1.00 0.00 C ATOM 96 C ARG A 8 10.639 0.469 1.056 1.00 0.00 C ATOM 97 O ARG A 8 10.421 -0.135 2.119 1.00 0.00 O ATOM 98 CB ARG A 8 8.725 2.067 1.159 1.00 0.00 C ATOM 99 CG ARG A 8 9.551 3.251 1.655 1.00 0.00 C ATOM 100 CD ARG A 8 10.024 4.149 0.510 1.00 0.00 C ATOM 101 NE ARG A 8 10.818 5.288 1.003 1.00 0.00 N ATOM 102 CZ ARG A 8 11.167 6.370 0.284 1.00 0.00 C ATOM 103 NH1 ARG A 8 10.862 6.445 -1.013 1.00 0.00 N ATOM 104 NH2 ARG A 8 11.828 7.366 0.871 1.00 0.00 N ATOM 0 H ARG A 8 8.381 -0.658 0.497 1.00 0.00 H new ATOM 0 HA ARG A 8 9.890 1.619 -0.588 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.869 2.447 0.602 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.331 1.529 2.021 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.956 3.839 2.353 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.416 2.882 2.206 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.622 3.564 -0.188 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.161 4.519 -0.043 1.00 0.00 H new ATOM 0 HE ARG A 8 11.130 5.253 1.973 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.362 5.679 -1.464 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.129 7.268 -1.553 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.067 7.306 1.861 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.095 8.189 0.331 1.00 0.00 H new ATOM 118 N ARG A 9 11.846 0.580 0.506 1.00 0.00 N ATOM 119 CA ARG A 9 13.082 0.147 1.172 1.00 0.00 C ATOM 120 C ARG A 9 13.036 -1.372 1.513 1.00 0.00 C ATOM 121 O ARG A 9 13.499 -1.817 2.561 1.00 0.00 O ATOM 122 CB ARG A 9 13.307 1.039 2.429 1.00 0.00 C ATOM 123 CG ARG A 9 14.605 0.858 3.228 1.00 0.00 C ATOM 124 CD ARG A 9 15.865 1.277 2.473 1.00 0.00 C ATOM 125 NE ARG A 9 16.218 0.373 1.372 1.00 0.00 N ATOM 126 CZ ARG A 9 17.230 -0.503 1.400 1.00 0.00 C ATOM 127 NH1 ARG A 9 18.061 -0.544 2.437 1.00 0.00 N ATOM 128 NH2 ARG A 9 17.430 -1.307 0.374 1.00 0.00 N ATOM 0 H ARG A 9 12.000 0.975 -0.422 1.00 0.00 H new ATOM 0 HA ARG A 9 13.932 0.273 0.502 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.255 2.080 2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.472 0.871 3.109 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.536 1.438 4.149 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.698 -0.189 3.517 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.723 2.282 2.076 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.699 1.326 3.173 1.00 0.00 H new ATOM 0 HE ARG A 9 15.652 0.415 0.525 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.930 0.096 3.221 1.00 0.00 H new ATOM 0 HH12 ARG A 9 18.829 -1.215 2.449 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.814 -1.260 -0.438 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.200 -1.975 0.392 1.00 0.00 H new ATOM 142 N GLY A 10 12.446 -2.144 0.623 1.00 0.00 N ATOM 143 CA GLY A 10 12.361 -3.580 0.815 1.00 0.00 C ATOM 144 C GLY A 10 11.085 -4.012 1.520 1.00 0.00 C ATOM 145 O GLY A 10 10.738 -5.196 1.524 1.00 0.00 O ATOM 0 H GLY A 10 12.019 -1.804 -0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.419 -4.074 -0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.221 -3.915 1.395 1.00 0.00 H new ATOM 149 N VAL A 11 10.383 -3.072 2.114 1.00 0.00 N ATOM 150 CA VAL A 11 9.146 -3.374 2.807 1.00 0.00 C ATOM 151 C VAL A 11 7.983 -3.122 1.878 1.00 0.00 C ATOM 152 O VAL A 11 7.768 -1.996 1.438 1.00 0.00 O ATOM 153 CB VAL A 11 8.963 -2.501 4.085 1.00 0.00 C ATOM 154 CG1 VAL A 11 7.656 -2.832 4.805 1.00 0.00 C ATOM 155 CG2 VAL A 11 10.137 -2.673 5.028 1.00 0.00 C ATOM 0 H VAL A 11 10.648 -2.087 2.132 1.00 0.00 H new ATOM 0 HA VAL A 11 9.185 -4.420 3.113 1.00 0.00 H new ATOM 0 HB VAL A 11 8.920 -1.460 3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.560 -2.205 5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.815 -2.646 4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.659 -3.881 5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.987 -2.054 5.913 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.214 -3.719 5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.055 -2.370 4.525 1.00 0.00 H new ATOM 165 N CYS A 12 7.267 -4.145 1.540 1.00 0.00 N ATOM 166 CA CYS A 12 6.108 -3.962 0.722 1.00 0.00 C ATOM 167 C CYS A 12 4.884 -3.866 1.602 1.00 0.00 C ATOM 168 O CYS A 12 4.646 -4.728 2.466 1.00 0.00 O ATOM 169 CB CYS A 12 5.986 -5.047 -0.340 1.00 0.00 C ATOM 170 SG CYS A 12 7.381 -5.096 -1.526 1.00 0.00 S ATOM 0 H CYS A 12 7.460 -5.109 1.814 1.00 0.00 H new ATOM 0 HA CYS A 12 6.204 -3.026 0.171 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.909 -6.016 0.153 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.059 -4.896 -0.893 1.00 0.00 H new ATOM 175 N ARG A 13 4.144 -2.806 1.428 1.00 0.00 N ATOM 176 CA ARG A 13 2.998 -2.529 2.240 1.00 0.00 C ATOM 177 C ARG A 13 1.792 -2.252 1.349 1.00 0.00 C ATOM 178 O ARG A 13 1.918 -1.569 0.326 1.00 0.00 O ATOM 179 CB ARG A 13 3.326 -1.324 3.139 1.00 0.00 C ATOM 180 CG ARG A 13 2.188 -0.839 4.006 1.00 0.00 C ATOM 181 CD ARG A 13 2.618 0.316 4.900 1.00 0.00 C ATOM 182 NE ARG A 13 3.246 1.411 4.142 1.00 0.00 N ATOM 183 CZ ARG A 13 2.609 2.470 3.626 1.00 0.00 C ATOM 184 NH1 ARG A 13 1.277 2.547 3.662 1.00 0.00 N ATOM 185 NH2 ARG A 13 3.310 3.442 3.060 1.00 0.00 N ATOM 0 H ARG A 13 4.324 -2.104 0.710 1.00 0.00 H new ATOM 0 HA ARG A 13 2.751 -3.384 2.869 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.165 -1.589 3.783 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.657 -0.500 2.508 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.358 -0.522 3.374 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.823 -1.661 4.622 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.750 0.700 5.435 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.318 -0.051 5.650 1.00 0.00 H new ATOM 0 HE ARG A 13 4.254 1.358 3.997 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.734 1.795 4.086 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.802 3.358 3.266 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.327 3.380 3.020 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.832 4.252 2.665 1.00 0.00 H new ATOM 199 N CYS A 14 0.651 -2.800 1.699 1.00 0.00 N ATOM 200 CA CYS A 14 -0.537 -2.588 0.911 1.00 0.00 C ATOM 201 C CYS A 14 -1.558 -1.783 1.672 1.00 0.00 C ATOM 202 O CYS A 14 -1.856 -2.059 2.842 1.00 0.00 O ATOM 203 CB CYS A 14 -1.151 -3.901 0.460 1.00 0.00 C ATOM 204 SG CYS A 14 0.014 -5.035 -0.380 1.00 0.00 S ATOM 0 H CYS A 14 0.522 -3.392 2.519 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.235 -2.028 0.026 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.570 -4.409 1.329 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.980 -3.687 -0.215 1.00 0.00 H new ATOM 209 N VAL A 15 -2.070 -0.799 1.019 1.00 0.00 N ATOM 210 CA VAL A 15 -3.099 0.051 1.549 1.00 0.00 C ATOM 211 C VAL A 15 -4.401 -0.451 0.972 1.00 0.00 C ATOM 212 O VAL A 15 -4.568 -0.480 -0.255 1.00 0.00 O ATOM 213 CB VAL A 15 -2.894 1.535 1.121 1.00 0.00 C ATOM 214 CG1 VAL A 15 -3.944 2.441 1.760 1.00 0.00 C ATOM 215 CG2 VAL A 15 -1.490 2.020 1.461 1.00 0.00 C ATOM 0 H VAL A 15 -1.782 -0.549 0.073 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.084 0.021 2.638 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.015 1.583 0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.777 3.471 1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.938 2.122 1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.867 2.378 2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.379 3.059 1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.329 1.944 2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.756 1.405 0.940 1.00 0.00 H new ATOM 225 N CYS A 16 -5.279 -0.907 1.806 1.00 0.00 N ATOM 226 CA CYS A 16 -6.517 -1.431 1.326 1.00 0.00 C ATOM 227 C CYS A 16 -7.657 -0.490 1.622 1.00 0.00 C ATOM 228 O CYS A 16 -7.748 0.094 2.713 1.00 0.00 O ATOM 229 CB CYS A 16 -6.782 -2.834 1.873 1.00 0.00 C ATOM 230 SG CYS A 16 -5.536 -4.083 1.376 1.00 0.00 S ATOM 0 H CYS A 16 -5.163 -0.928 2.819 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.441 -1.521 0.242 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.818 -2.786 2.961 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.765 -3.164 1.536 1.00 0.00 H new ATOM 235 N ARG A 17 -8.481 -0.293 0.642 1.00 0.00 N ATOM 236 CA ARG A 17 -9.630 0.551 0.762 1.00 0.00 C ATOM 237 C ARG A 17 -10.827 -0.096 0.121 1.00 0.00 C ATOM 238 O ARG A 17 -10.861 -0.297 -1.096 1.00 0.00 O ATOM 239 CB ARG A 17 -9.369 1.932 0.153 1.00 0.00 C ATOM 240 CG ARG A 17 -10.569 2.871 0.220 1.00 0.00 C ATOM 241 CD ARG A 17 -10.171 4.295 -0.107 1.00 0.00 C ATOM 242 NE ARG A 17 -9.245 4.842 0.905 1.00 0.00 N ATOM 243 CZ ARG A 17 -8.578 5.997 0.797 1.00 0.00 C ATOM 244 NH1 ARG A 17 -8.637 6.704 -0.327 1.00 0.00 N ATOM 245 NH2 ARG A 17 -7.829 6.426 1.804 1.00 0.00 N ATOM 0 H ARG A 17 -8.374 -0.720 -0.278 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.838 0.689 1.823 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.528 2.394 0.671 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.073 1.809 -0.889 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.336 2.536 -0.479 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.008 2.833 1.217 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.699 4.326 -1.089 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.062 4.920 -0.162 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.102 4.296 1.754 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.193 6.367 -1.113 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.126 7.584 -0.404 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.762 5.876 2.660 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.320 7.306 1.722 1.00 0.00 H new ATOM 259 N ARG A 18 -11.770 -0.490 0.963 1.00 0.00 N ATOM 260 CA ARG A 18 -13.058 -1.038 0.551 1.00 0.00 C ATOM 261 C ARG A 18 -12.878 -2.366 -0.220 1.00 0.00 C ATOM 262 O ARG A 18 -13.710 -2.763 -1.039 1.00 0.00 O ATOM 263 CB ARG A 18 -13.821 0.017 -0.283 1.00 0.00 C ATOM 264 CG ARG A 18 -15.310 -0.232 -0.456 1.00 0.00 C ATOM 265 CD ARG A 18 -16.032 -0.202 0.885 1.00 0.00 C ATOM 266 NE ARG A 18 -15.820 1.062 1.603 1.00 0.00 N ATOM 267 CZ ARG A 18 -16.341 1.369 2.797 1.00 0.00 C ATOM 268 NH1 ARG A 18 -17.125 0.507 3.437 1.00 0.00 N ATOM 269 NH2 ARG A 18 -16.062 2.533 3.358 1.00 0.00 N ATOM 0 H ARG A 18 -11.661 -0.437 1.976 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.650 -1.271 1.436 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.686 0.991 0.187 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.363 0.073 -1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.734 0.524 -1.117 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.467 -1.198 -0.935 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.100 -0.351 0.724 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.684 -1.031 1.502 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.228 1.762 1.156 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.335 -0.399 3.019 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.516 0.752 4.347 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.451 3.196 2.881 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.458 2.769 4.268 1.00 0.00 H new TER 283 ARG A 18