USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 136 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= -0.142 (180deg=-0.142) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.957 -0.921 1.348 1.00 0.00 N ATOM 2 CA GLY A 1 -11.384 -2.268 1.591 1.00 0.00 C ATOM 3 C GLY A 1 -10.544 -3.301 0.871 1.00 0.00 C ATOM 4 O GLY A 1 -10.551 -4.485 1.233 1.00 0.00 O ATOM 0 H2 GLY A 1 -11.572 -0.263 1.868 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.350 -2.465 2.663 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.423 -2.374 1.280 1.00 0.00 H new ATOM 8 N VAL A 2 -9.809 -2.869 -0.126 1.00 0.00 N ATOM 9 CA VAL A 2 -8.983 -3.761 -0.906 1.00 0.00 C ATOM 10 C VAL A 2 -7.564 -3.728 -0.370 1.00 0.00 C ATOM 11 O VAL A 2 -6.975 -2.660 -0.217 1.00 0.00 O ATOM 12 CB VAL A 2 -8.978 -3.359 -2.406 1.00 0.00 C ATOM 13 CG1 VAL A 2 -8.148 -4.332 -3.239 1.00 0.00 C ATOM 14 CG2 VAL A 2 -10.399 -3.276 -2.943 1.00 0.00 C ATOM 0 H VAL A 2 -9.766 -1.893 -0.419 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.394 -4.767 -0.825 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.518 -2.374 -2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.165 -4.023 -4.284 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.120 -4.335 -2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.566 -5.335 -3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.374 -2.993 -3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.884 -4.246 -2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.958 -2.529 -2.379 1.00 0.00 H new ATOM 37 N ARG A 4 -4.292 -3.602 -0.972 1.00 0.00 N ATOM 38 CA ARG A 4 -3.357 -3.295 -2.017 1.00 0.00 C ATOM 39 C ARG A 4 -2.042 -2.976 -1.364 1.00 0.00 C ATOM 40 O ARG A 4 -2.000 -2.249 -0.364 1.00 0.00 O ATOM 41 CB ARG A 4 -3.850 -2.102 -2.869 1.00 0.00 C ATOM 42 CG ARG A 4 -2.918 -1.736 -4.029 1.00 0.00 C ATOM 43 CD ARG A 4 -3.439 -0.564 -4.852 1.00 0.00 C ATOM 44 NE ARG A 4 -4.757 -0.827 -5.467 1.00 0.00 N ATOM 45 CZ ARG A 4 -5.121 -0.467 -6.717 1.00 0.00 C ATOM 46 NH1 ARG A 4 -4.233 0.085 -7.550 1.00 0.00 N ATOM 47 NH2 ARG A 4 -6.365 -0.677 -7.130 1.00 0.00 N ATOM 0 HA ARG A 4 -3.252 -4.144 -2.692 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.836 -2.338 -3.269 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.968 -1.232 -2.223 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -1.933 -1.488 -3.634 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.793 -2.603 -4.677 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.512 0.316 -4.214 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.719 -0.330 -5.636 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.448 -1.320 -4.902 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.272 0.237 -7.243 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.516 0.354 -8.492 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.044 -1.109 -6.504 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -6.642 -0.406 -8.074 1.00 0.00 H new ATOM 61 N CYS A 5 -0.985 -3.517 -1.859 1.00 0.00 N ATOM 62 CA CYS A 5 0.270 -3.262 -1.242 1.00 0.00 C ATOM 63 C CYS A 5 1.052 -2.263 -2.043 1.00 0.00 C ATOM 64 O CYS A 5 1.104 -2.327 -3.272 1.00 0.00 O ATOM 65 CB CYS A 5 1.066 -4.541 -1.010 1.00 0.00 C ATOM 66 SG CYS A 5 0.089 -5.919 -0.279 1.00 0.00 S ATOM 0 H CYS A 5 -0.961 -4.129 -2.675 1.00 0.00 H new ATOM 0 HA CYS A 5 0.076 -2.836 -0.257 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.484 -4.872 -1.960 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.906 -4.318 -0.352 1.00 0.00 H new ATOM 71 N VAL A 6 1.609 -1.340 -1.353 1.00 0.00 N ATOM 72 CA VAL A 6 2.388 -0.284 -1.935 1.00 0.00 C ATOM 73 C VAL A 6 3.822 -0.485 -1.511 1.00 0.00 C ATOM 74 O VAL A 6 4.094 -0.686 -0.322 1.00 0.00 O ATOM 75 CB VAL A 6 1.899 1.119 -1.456 1.00 0.00 C ATOM 76 CG1 VAL A 6 2.672 2.244 -2.143 1.00 0.00 C ATOM 77 CG2 VAL A 6 0.399 1.287 -1.679 1.00 0.00 C ATOM 0 H VAL A 6 1.541 -1.286 -0.337 1.00 0.00 H new ATOM 0 HA VAL A 6 2.285 -0.317 -3.020 1.00 0.00 H new ATOM 0 HB VAL A 6 2.094 1.181 -0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.306 3.207 -1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.733 2.150 -1.912 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.529 2.178 -3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.088 2.274 -1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.175 1.185 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.140 0.522 -1.120 1.00 0.00 H new ATOM 87 N CYS A 7 4.724 -0.495 -2.439 1.00 0.00 N ATOM 88 CA CYS A 7 6.109 -0.648 -2.095 1.00 0.00 C ATOM 89 C CYS A 7 6.815 0.669 -2.187 1.00 0.00 C ATOM 90 O CYS A 7 6.708 1.388 -3.185 1.00 0.00 O ATOM 91 CB CYS A 7 6.798 -1.707 -2.934 1.00 0.00 C ATOM 92 SG CYS A 7 5.993 -3.360 -2.874 1.00 0.00 S ATOM 0 H CYS A 7 4.533 -0.400 -3.436 1.00 0.00 H new ATOM 0 HA CYS A 7 6.156 -0.996 -1.063 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.831 -1.369 -3.970 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.830 -1.806 -2.598 1.00 0.00 H new ATOM 97 N ARG A 8 7.514 0.982 -1.151 1.00 0.00 N ATOM 98 CA ARG A 8 8.197 2.240 -1.023 1.00 0.00 C ATOM 99 C ARG A 8 9.502 2.037 -0.279 1.00 0.00 C ATOM 100 O ARG A 8 9.508 1.513 0.840 1.00 0.00 O ATOM 101 CB ARG A 8 7.301 3.236 -0.278 1.00 0.00 C ATOM 102 CG ARG A 8 7.912 4.614 -0.062 1.00 0.00 C ATOM 103 CD ARG A 8 6.944 5.524 0.681 1.00 0.00 C ATOM 104 NE ARG A 8 6.579 4.994 2.004 1.00 0.00 N ATOM 105 CZ ARG A 8 5.424 5.252 2.647 1.00 0.00 C ATOM 106 NH1 ARG A 8 4.469 5.977 2.061 1.00 0.00 N ATOM 107 NH2 ARG A 8 5.213 4.754 3.859 1.00 0.00 N ATOM 0 H ARG A 8 7.634 0.364 -0.349 1.00 0.00 H new ATOM 0 HA ARG A 8 8.419 2.641 -2.012 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.370 3.351 -0.834 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.042 2.813 0.693 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.839 4.521 0.505 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.170 5.057 -1.024 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.394 6.510 0.799 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.042 5.655 0.084 1.00 0.00 H new ATOM 0 HE ARG A 8 7.252 4.385 2.470 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.611 6.341 1.119 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.597 6.167 2.555 1.00 0.00 H new ATOM 0 HH21 ARG A 8 5.926 4.176 4.304 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.338 4.950 4.346 1.00 0.00 H new ATOM 121 N ARG A 9 10.602 2.393 -0.926 1.00 0.00 N ATOM 122 CA ARG A 9 11.950 2.328 -0.357 1.00 0.00 C ATOM 123 C ARG A 9 12.314 0.874 0.002 1.00 0.00 C ATOM 124 O ARG A 9 13.011 0.588 0.980 1.00 0.00 O ATOM 125 CB ARG A 9 12.069 3.290 0.845 1.00 0.00 C ATOM 126 CG ARG A 9 13.485 3.554 1.402 1.00 0.00 C ATOM 127 CD ARG A 9 14.422 4.216 0.382 1.00 0.00 C ATOM 128 NE ARG A 9 14.838 3.294 -0.689 1.00 0.00 N ATOM 129 CZ ARG A 9 15.163 3.648 -1.946 1.00 0.00 C ATOM 130 NH1 ARG A 9 15.100 4.914 -2.331 1.00 0.00 N ATOM 131 NH2 ARG A 9 15.541 2.723 -2.807 1.00 0.00 N ATOM 0 H ARG A 9 10.587 2.744 -1.884 1.00 0.00 H new ATOM 0 HA ARG A 9 12.675 2.658 -1.101 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.636 4.248 0.555 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.456 2.895 1.655 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.409 4.191 2.283 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.922 2.610 1.728 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.921 5.077 -0.060 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.306 4.591 0.897 1.00 0.00 H new ATOM 0 HE ARG A 9 14.884 2.302 -0.458 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.803 5.633 -1.672 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.349 5.169 -3.287 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.586 1.746 -2.519 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.789 2.985 -3.761 1.00 0.00 H new ATOM 145 N GLY A 10 11.812 -0.039 -0.805 1.00 0.00 N ATOM 146 CA GLY A 10 12.083 -1.439 -0.632 1.00 0.00 C ATOM 147 C GLY A 10 11.187 -2.086 0.395 1.00 0.00 C ATOM 148 O GLY A 10 11.291 -3.280 0.653 1.00 0.00 O ATOM 0 H GLY A 10 11.206 0.176 -1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.960 -1.949 -1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.123 -1.569 -0.333 1.00 0.00 H new ATOM 152 N VAL A 11 10.310 -1.312 0.980 1.00 0.00 N ATOM 153 CA VAL A 11 9.404 -1.808 1.976 1.00 0.00 C ATOM 154 C VAL A 11 8.041 -1.917 1.355 1.00 0.00 C ATOM 155 O VAL A 11 7.524 -0.941 0.821 1.00 0.00 O ATOM 156 CB VAL A 11 9.339 -0.864 3.213 1.00 0.00 C ATOM 157 CG1 VAL A 11 8.343 -1.376 4.249 1.00 0.00 C ATOM 158 CG2 VAL A 11 10.715 -0.711 3.838 1.00 0.00 C ATOM 0 H VAL A 11 10.206 -0.318 0.777 1.00 0.00 H new ATOM 0 HA VAL A 11 9.755 -2.780 2.322 1.00 0.00 H new ATOM 0 HB VAL A 11 8.997 0.112 2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.321 -0.695 5.100 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.350 -1.431 3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.645 -2.368 4.585 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.651 -0.048 4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.080 -1.687 4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.402 -0.288 3.106 1.00 0.00 H new ATOM 168 N CYS A 12 7.483 -3.074 1.377 1.00 0.00 N ATOM 169 CA CYS A 12 6.186 -3.256 0.832 1.00 0.00 C ATOM 170 C CYS A 12 5.182 -3.274 1.948 1.00 0.00 C ATOM 171 O CYS A 12 5.236 -4.115 2.857 1.00 0.00 O ATOM 172 CB CYS A 12 6.102 -4.506 -0.043 1.00 0.00 C ATOM 173 SG CYS A 12 7.122 -4.437 -1.565 1.00 0.00 S ATOM 0 H CYS A 12 7.908 -3.914 1.769 1.00 0.00 H new ATOM 0 HA CYS A 12 5.959 -2.420 0.171 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.410 -5.369 0.547 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.062 -4.668 -0.325 1.00 0.00 H new ATOM 178 N ARG A 13 4.285 -2.352 1.888 1.00 0.00 N ATOM 179 CA ARG A 13 3.322 -2.161 2.911 1.00 0.00 C ATOM 180 C ARG A 13 1.945 -2.436 2.365 1.00 0.00 C ATOM 181 O ARG A 13 1.540 -1.841 1.363 1.00 0.00 O ATOM 182 CB ARG A 13 3.436 -0.727 3.405 1.00 0.00 C ATOM 183 CG ARG A 13 2.522 -0.396 4.558 1.00 0.00 C ATOM 184 CD ARG A 13 2.706 1.034 5.013 1.00 0.00 C ATOM 185 NE ARG A 13 1.929 1.316 6.223 1.00 0.00 N ATOM 186 CZ ARG A 13 1.581 2.535 6.650 1.00 0.00 C ATOM 187 NH1 ARG A 13 1.806 3.601 5.895 1.00 0.00 N ATOM 188 NH2 ARG A 13 0.970 2.676 7.817 1.00 0.00 N ATOM 0 H ARG A 13 4.200 -1.698 1.110 1.00 0.00 H new ATOM 0 HA ARG A 13 3.497 -2.845 3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.466 -0.540 3.707 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.218 -0.051 2.578 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.486 -0.554 4.260 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.722 -1.073 5.389 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.762 1.223 5.205 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.401 1.713 4.217 1.00 0.00 H new ATOM 0 HE ARG A 13 1.630 0.519 6.785 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.247 3.495 4.982 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.538 4.527 6.227 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.766 1.856 8.388 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.704 3.605 8.144 1.00 0.00 H new ATOM 202 N CYS A 14 1.239 -3.338 2.983 1.00 0.00 N ATOM 203 CA CYS A 14 -0.078 -3.646 2.539 1.00 0.00 C ATOM 204 C CYS A 14 -1.076 -2.811 3.260 1.00 0.00 C ATOM 205 O CYS A 14 -1.164 -2.831 4.493 1.00 0.00 O ATOM 206 CB CYS A 14 -0.379 -5.118 2.626 1.00 0.00 C ATOM 207 SG CYS A 14 0.770 -6.134 1.631 1.00 0.00 S ATOM 0 H CYS A 14 1.557 -3.869 3.794 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.145 -3.398 1.480 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.328 -5.434 3.668 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.400 -5.296 2.289 1.00 0.00 H new ATOM 212 N VAL A 15 -1.793 -2.040 2.506 1.00 0.00 N ATOM 213 CA VAL A 15 -2.725 -1.105 3.069 1.00 0.00 C ATOM 214 C VAL A 15 -4.127 -1.438 2.589 1.00 0.00 C ATOM 215 O VAL A 15 -4.325 -1.818 1.423 1.00 0.00 O ATOM 216 CB VAL A 15 -2.375 0.361 2.654 1.00 0.00 C ATOM 217 CG1 VAL A 15 -3.265 1.360 3.369 1.00 0.00 C ATOM 218 CG2 VAL A 15 -0.906 0.680 2.914 1.00 0.00 C ATOM 0 H VAL A 15 -1.752 -2.037 1.487 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.669 -1.180 4.155 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.555 0.444 1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.998 2.371 3.061 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.307 1.166 3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.130 1.262 4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.698 1.707 2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.690 0.562 3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.279 -0.000 2.338 1.00 0.00 H new ATOM 241 N ARG A 17 -6.843 -0.330 1.116 1.00 0.00 N ATOM 242 CA ARG A 17 -7.222 0.769 0.290 1.00 0.00 C ATOM 243 C ARG A 17 -8.658 0.590 -0.122 1.00 0.00 C ATOM 244 O ARG A 17 -8.957 -0.208 -1.007 1.00 0.00 O ATOM 245 CB ARG A 17 -6.333 0.853 -0.953 1.00 0.00 C ATOM 246 CG ARG A 17 -4.833 1.014 -0.682 1.00 0.00 C ATOM 247 CD ARG A 17 -4.534 2.239 0.174 1.00 0.00 C ATOM 248 NE ARG A 17 -5.100 3.469 -0.387 1.00 0.00 N ATOM 249 CZ ARG A 17 -5.332 4.595 0.304 1.00 0.00 C ATOM 250 NH1 ARG A 17 -4.910 4.715 1.561 1.00 0.00 N ATOM 251 NH2 ARG A 17 -5.960 5.607 -0.274 1.00 0.00 N ATOM 0 HA ARG A 17 -7.102 1.695 0.852 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.482 -0.049 -1.547 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.667 1.694 -1.561 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.458 0.122 -0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.300 1.095 -1.630 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.933 2.084 1.176 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.455 2.353 0.275 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.336 3.469 -1.379 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.406 3.947 2.005 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.090 5.575 2.080 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.267 5.530 -1.244 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.137 6.464 0.250 1.00 0.00 H new ATOM 265 N ARG A 18 -9.547 1.275 0.586 1.00 0.00 N ATOM 266 CA ARG A 18 -10.981 1.268 0.324 1.00 0.00 C ATOM 267 C ARG A 18 -11.545 -0.162 0.445 1.00 0.00 C ATOM 268 O ARG A 18 -12.465 -0.564 -0.265 1.00 0.00 O ATOM 269 CB ARG A 18 -11.272 1.910 -1.044 1.00 0.00 C ATOM 270 CG ARG A 18 -12.735 2.275 -1.310 1.00 0.00 C ATOM 271 CD ARG A 18 -13.290 3.217 -0.247 1.00 0.00 C ATOM 272 NE ARG A 18 -12.482 4.439 -0.093 1.00 0.00 N ATOM 273 CZ ARG A 18 -12.824 5.499 0.658 1.00 0.00 C ATOM 274 NH1 ARG A 18 -14.003 5.539 1.267 1.00 0.00 N ATOM 275 NH2 ARG A 18 -11.985 6.521 0.772 1.00 0.00 N ATOM 0 H ARG A 18 -9.285 1.864 1.376 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.492 1.870 1.075 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.669 2.813 -1.136 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.940 1.225 -1.824 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.819 2.744 -2.290 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.336 1.366 -1.339 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.312 3.492 -0.509 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.336 2.694 0.708 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.595 4.484 -0.595 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.656 4.762 1.166 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.256 6.347 1.836 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.086 6.499 0.291 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.239 7.329 1.341 1.00 0.00 H new