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= -0.0965 (180deg=-0.0965) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.917 -2.821 -0.458 1.00 0.00 N ATOM 2 CA GLY A 1 -11.617 -3.903 -1.366 1.00 0.00 C ATOM 3 C GLY A 1 -10.433 -3.612 -2.259 1.00 0.00 C ATOM 4 O GLY A 1 -9.826 -4.526 -2.812 1.00 0.00 O ATOM 0 H2 GLY A 1 -12.737 -3.077 0.128 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.418 -4.808 -0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.491 -4.104 -1.985 1.00 0.00 H new ATOM 8 N VAL A 2 -10.097 -2.354 -2.400 1.00 0.00 N ATOM 9 CA VAL A 2 -8.999 -1.957 -3.248 1.00 0.00 C ATOM 10 C VAL A 2 -7.744 -1.847 -2.410 1.00 0.00 C ATOM 11 O VAL A 2 -7.628 -0.956 -1.569 1.00 0.00 O ATOM 12 CB VAL A 2 -9.285 -0.598 -3.945 1.00 0.00 C ATOM 13 CG1 VAL A 2 -8.167 -0.228 -4.915 1.00 0.00 C ATOM 14 CG2 VAL A 2 -10.626 -0.641 -4.662 1.00 0.00 C ATOM 0 H VAL A 2 -10.572 -1.581 -1.934 1.00 0.00 H new ATOM 0 HA VAL A 2 -8.869 -2.711 -4.025 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.326 0.173 -3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.396 0.728 -5.387 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.226 -0.148 -4.372 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.080 -0.999 -5.681 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.811 0.318 -5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.611 -1.429 -5.415 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.418 -0.843 -3.941 1.00 0.00 H new ATOM 24 N CYS A 3 -6.835 -2.740 -2.604 1.00 0.00 N ATOM 25 CA CYS A 3 -5.621 -2.727 -1.850 1.00 0.00 C ATOM 26 C CYS A 3 -4.489 -2.191 -2.682 1.00 0.00 C ATOM 27 O CYS A 3 -4.188 -2.705 -3.754 1.00 0.00 O ATOM 28 CB CYS A 3 -5.293 -4.104 -1.281 1.00 0.00 C ATOM 29 SG CYS A 3 -6.501 -4.712 -0.051 1.00 0.00 S ATOM 0 H CYS A 3 -6.908 -3.497 -3.284 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.763 -2.060 -1.000 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.235 -4.819 -2.101 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.307 -4.068 -0.818 1.00 0.00 H new ATOM 34 N ARG A 4 -3.893 -1.148 -2.205 1.00 0.00 N ATOM 35 CA ARG A 4 -2.811 -0.513 -2.875 1.00 0.00 C ATOM 36 C ARG A 4 -1.528 -0.913 -2.181 1.00 0.00 C ATOM 37 O ARG A 4 -1.319 -0.576 -1.011 1.00 0.00 O ATOM 38 CB ARG A 4 -2.999 1.009 -2.815 1.00 0.00 C ATOM 39 CG ARG A 4 -2.018 1.814 -3.660 1.00 0.00 C ATOM 40 CD ARG A 4 -2.155 1.463 -5.131 1.00 0.00 C ATOM 41 NE ARG A 4 -3.541 1.605 -5.595 1.00 0.00 N ATOM 42 CZ ARG A 4 -3.992 1.248 -6.801 1.00 0.00 C ATOM 43 NH1 ARG A 4 -3.151 0.774 -7.713 1.00 0.00 N ATOM 44 NH2 ARG A 4 -5.289 1.385 -7.086 1.00 0.00 N ATOM 0 H ARG A 4 -4.151 -0.707 -1.322 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.773 -0.816 -3.921 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.013 1.248 -3.137 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -2.910 1.330 -1.777 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.199 2.880 -3.518 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -0.999 1.616 -3.328 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.505 2.109 -5.722 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.820 0.439 -5.294 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.214 2.009 -4.944 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.159 0.682 -7.493 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.497 0.502 -8.633 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -5.928 1.760 -6.385 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.641 1.115 -8.005 1.00 0.00 H new ATOM 58 N CYS A 5 -0.712 -1.666 -2.855 1.00 0.00 N ATOM 59 CA CYS A 5 0.549 -2.071 -2.302 1.00 0.00 C ATOM 60 C CYS A 5 1.663 -1.339 -2.981 1.00 0.00 C ATOM 61 O CYS A 5 1.709 -1.240 -4.211 1.00 0.00 O ATOM 62 CB CYS A 5 0.763 -3.567 -2.415 1.00 0.00 C ATOM 63 SG CYS A 5 -0.519 -4.569 -1.592 1.00 0.00 S ATOM 0 H CYS A 5 -0.897 -2.015 -3.795 1.00 0.00 H new ATOM 0 HA CYS A 5 0.541 -1.821 -1.241 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.799 -3.839 -3.470 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.734 -3.817 -1.988 1.00 0.00 H new ATOM 68 N VAL A 6 2.534 -0.821 -2.191 1.00 0.00 N ATOM 69 CA VAL A 6 3.671 -0.065 -2.650 1.00 0.00 C ATOM 70 C VAL A 6 4.908 -0.712 -2.074 1.00 0.00 C ATOM 71 O VAL A 6 4.936 -1.044 -0.884 1.00 0.00 O ATOM 72 CB VAL A 6 3.598 1.429 -2.181 1.00 0.00 C ATOM 73 CG1 VAL A 6 4.791 2.235 -2.694 1.00 0.00 C ATOM 74 CG2 VAL A 6 2.291 2.085 -2.620 1.00 0.00 C ATOM 0 H VAL A 6 2.485 -0.907 -1.176 1.00 0.00 H new ATOM 0 HA VAL A 6 3.689 -0.065 -3.740 1.00 0.00 H new ATOM 0 HB VAL A 6 3.632 1.424 -1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.708 3.266 -2.350 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.715 1.799 -2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.802 2.216 -3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.271 3.120 -2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.218 2.059 -3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.449 1.544 -2.187 1.00 0.00 H new ATOM 84 N CYS A 7 5.890 -0.936 -2.891 1.00 0.00 N ATOM 85 CA CYS A 7 7.109 -1.528 -2.425 1.00 0.00 C ATOM 86 C CYS A 7 8.216 -0.521 -2.450 1.00 0.00 C ATOM 87 O CYS A 7 8.360 0.239 -3.414 1.00 0.00 O ATOM 88 CB CYS A 7 7.471 -2.764 -3.227 1.00 0.00 C ATOM 89 SG CYS A 7 6.223 -4.106 -3.160 1.00 0.00 S ATOM 0 H CYS A 7 5.873 -0.718 -3.887 1.00 0.00 H new ATOM 0 HA CYS A 7 6.958 -1.849 -1.394 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.621 -2.476 -4.267 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.423 -3.152 -2.864 1.00 0.00 H new ATOM 94 N ARG A 8 8.945 -0.470 -1.382 1.00 0.00 N ATOM 95 CA ARG A 8 10.042 0.443 -1.244 1.00 0.00 C ATOM 96 C ARG A 8 11.170 -0.201 -0.482 1.00 0.00 C ATOM 97 O ARG A 8 10.971 -0.654 0.642 1.00 0.00 O ATOM 98 CB ARG A 8 9.589 1.707 -0.520 1.00 0.00 C ATOM 99 CG ARG A 8 10.689 2.737 -0.334 1.00 0.00 C ATOM 100 CD ARG A 8 10.141 4.004 0.259 1.00 0.00 C ATOM 101 NE ARG A 8 9.147 4.625 -0.621 1.00 0.00 N ATOM 102 CZ ARG A 8 8.139 5.400 -0.220 1.00 0.00 C ATOM 103 NH1 ARG A 8 7.975 5.688 1.073 1.00 0.00 N ATOM 104 NH2 ARG A 8 7.304 5.894 -1.120 1.00 0.00 N ATOM 0 H ARG A 8 8.796 -1.067 -0.569 1.00 0.00 H new ATOM 0 HA ARG A 8 10.395 0.709 -2.241 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.771 2.161 -1.079 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.193 1.432 0.458 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.465 2.333 0.315 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.157 2.953 -1.294 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.687 3.787 1.226 1.00 0.00 H new ATOM 0 HD3 ARG A 8 10.956 4.704 0.439 1.00 0.00 H new ATOM 0 HE ARG A 8 9.233 4.450 -1.622 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.624 5.314 1.765 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.200 6.282 1.369 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.435 5.681 -2.109 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.529 6.488 -0.825 1.00 0.00 H new ATOM 118 N ARG A 9 12.337 -0.288 -1.118 1.00 0.00 N ATOM 119 CA ARG A 9 13.571 -0.788 -0.484 1.00 0.00 C ATOM 120 C ARG A 9 13.397 -2.271 -0.071 1.00 0.00 C ATOM 121 O ARG A 9 13.963 -2.749 0.919 1.00 0.00 O ATOM 122 CB ARG A 9 13.908 0.110 0.733 1.00 0.00 C ATOM 123 CG ARG A 9 15.281 -0.075 1.352 1.00 0.00 C ATOM 124 CD ARG A 9 15.395 0.777 2.598 1.00 0.00 C ATOM 125 NE ARG A 9 16.731 0.745 3.188 1.00 0.00 N ATOM 126 CZ ARG A 9 17.019 1.119 4.437 1.00 0.00 C ATOM 127 NH1 ARG A 9 16.039 1.373 5.309 1.00 0.00 N ATOM 128 NH2 ARG A 9 18.285 1.201 4.825 1.00 0.00 N ATOM 0 H ARG A 9 12.461 -0.014 -2.093 1.00 0.00 H new ATOM 0 HA ARG A 9 14.401 -0.744 -1.189 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.810 1.151 0.426 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.159 -0.067 1.505 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.441 -1.124 1.601 1.00 0.00 H new ATOM 0 HG3 ARG A 9 16.054 0.204 0.636 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.136 1.807 2.353 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.669 0.433 3.335 1.00 0.00 H new ATOM 0 HE ARG A 9 17.499 0.413 2.604 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.065 1.282 5.022 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.265 1.658 6.262 1.00 0.00 H new ATOM 0 HH21 ARG A 9 19.035 0.979 4.170 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.509 1.486 5.778 1.00 0.00 H new ATOM 142 N GLY A 10 12.572 -2.978 -0.826 1.00 0.00 N ATOM 143 CA GLY A 10 12.310 -4.373 -0.544 1.00 0.00 C ATOM 144 C GLY A 10 11.183 -4.554 0.461 1.00 0.00 C ATOM 145 O GLY A 10 10.776 -5.681 0.763 1.00 0.00 O ATOM 0 H GLY A 10 12.075 -2.607 -1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.055 -4.887 -1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.216 -4.841 -0.159 1.00 0.00 H new ATOM 149 N VAL A 11 10.674 -3.455 0.961 1.00 0.00 N ATOM 150 CA VAL A 11 9.605 -3.453 1.934 1.00 0.00 C ATOM 151 C VAL A 11 8.288 -3.138 1.237 1.00 0.00 C ATOM 152 O VAL A 11 8.114 -2.061 0.688 1.00 0.00 O ATOM 153 CB VAL A 11 9.869 -2.389 3.037 1.00 0.00 C ATOM 154 CG1 VAL A 11 8.746 -2.355 4.057 1.00 0.00 C ATOM 155 CG2 VAL A 11 11.205 -2.642 3.720 1.00 0.00 C ATOM 0 H VAL A 11 10.994 -2.522 0.701 1.00 0.00 H new ATOM 0 HA VAL A 11 9.556 -4.437 2.400 1.00 0.00 H new ATOM 0 HB VAL A 11 9.906 -1.414 2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.964 -1.600 4.813 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.809 -2.109 3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.658 -3.331 4.534 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.370 -1.886 4.488 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.197 -3.631 4.179 1.00 0.00 H new ATOM 0 HG23 VAL A 11 12.006 -2.591 2.983 1.00 0.00 H new ATOM 165 N CYS A 12 7.390 -4.074 1.227 1.00 0.00 N ATOM 166 CA CYS A 12 6.117 -3.859 0.601 1.00 0.00 C ATOM 167 C CYS A 12 5.044 -3.573 1.636 1.00 0.00 C ATOM 168 O CYS A 12 4.854 -4.340 2.593 1.00 0.00 O ATOM 169 CB CYS A 12 5.734 -5.035 -0.294 1.00 0.00 C ATOM 170 SG CYS A 12 6.898 -5.326 -1.678 1.00 0.00 S ATOM 0 H CYS A 12 7.513 -4.996 1.645 1.00 0.00 H new ATOM 0 HA CYS A 12 6.202 -2.980 -0.038 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.676 -5.938 0.314 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.738 -4.860 -0.701 1.00 0.00 H new ATOM 175 N ARG A 13 4.371 -2.472 1.459 1.00 0.00 N ATOM 176 CA ARG A 13 3.346 -2.032 2.371 1.00 0.00 C ATOM 177 C ARG A 13 2.034 -1.915 1.612 1.00 0.00 C ATOM 178 O ARG A 13 2.028 -1.466 0.460 1.00 0.00 O ATOM 179 CB ARG A 13 3.759 -0.681 2.945 1.00 0.00 C ATOM 180 CG ARG A 13 2.845 -0.130 4.016 1.00 0.00 C ATOM 181 CD ARG A 13 3.379 1.180 4.544 1.00 0.00 C ATOM 182 NE ARG A 13 4.749 1.051 5.056 1.00 0.00 N ATOM 183 CZ ARG A 13 5.627 2.056 5.141 1.00 0.00 C ATOM 184 NH1 ARG A 13 5.239 3.308 4.887 1.00 0.00 N ATOM 185 NH2 ARG A 13 6.876 1.817 5.525 1.00 0.00 N ATOM 0 H ARG A 13 4.518 -1.845 0.668 1.00 0.00 H new ATOM 0 HA ARG A 13 3.217 -2.742 3.188 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.763 -0.772 3.358 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.814 0.041 2.130 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.845 0.016 3.609 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.756 -0.848 4.831 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.358 1.926 3.750 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.728 1.542 5.339 1.00 0.00 H new ATOM 0 HE ARG A 13 5.053 0.129 5.369 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.271 3.499 4.628 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.910 4.073 4.952 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.166 0.866 5.755 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.545 2.584 5.590 1.00 0.00 H new ATOM 199 N CYS A 14 0.949 -2.334 2.217 1.00 0.00 N ATOM 200 CA CYS A 14 -0.339 -2.281 1.557 1.00 0.00 C ATOM 201 C CYS A 14 -1.338 -1.497 2.373 1.00 0.00 C ATOM 202 O CYS A 14 -1.361 -1.579 3.594 1.00 0.00 O ATOM 203 CB CYS A 14 -0.896 -3.684 1.296 1.00 0.00 C ATOM 204 SG CYS A 14 0.179 -4.783 0.300 1.00 0.00 S ATOM 0 H CYS A 14 0.929 -2.715 3.163 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.182 -1.780 0.602 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.089 -4.164 2.255 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.856 -3.587 0.790 1.00 0.00 H new ATOM 209 N VAL A 15 -2.135 -0.737 1.691 1.00 0.00 N ATOM 210 CA VAL A 15 -3.208 0.015 2.285 1.00 0.00 C ATOM 211 C VAL A 15 -4.503 -0.351 1.556 1.00 0.00 C ATOM 212 O VAL A 15 -4.565 -0.305 0.324 1.00 0.00 O ATOM 213 CB VAL A 15 -2.932 1.565 2.253 1.00 0.00 C ATOM 214 CG1 VAL A 15 -2.660 2.078 0.842 1.00 0.00 C ATOM 215 CG2 VAL A 15 -4.074 2.339 2.887 1.00 0.00 C ATOM 0 H VAL A 15 -2.061 -0.615 0.681 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.295 -0.243 3.340 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.029 1.732 2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.476 3.152 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.785 1.572 0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.524 1.877 0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.855 3.406 2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.996 2.139 2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.192 2.028 3.925 1.00 0.00 H new ATOM 225 N CYS A 16 -5.491 -0.781 2.279 1.00 0.00 N ATOM 226 CA CYS A 16 -6.712 -1.211 1.654 1.00 0.00 C ATOM 227 C CYS A 16 -7.844 -0.242 1.879 1.00 0.00 C ATOM 228 O CYS A 16 -8.055 0.251 2.991 1.00 0.00 O ATOM 229 CB CYS A 16 -7.101 -2.622 2.098 1.00 0.00 C ATOM 230 SG CYS A 16 -5.859 -3.910 1.710 1.00 0.00 S ATOM 0 H CYS A 16 -5.480 -0.845 3.297 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.520 -1.235 0.581 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.275 -2.616 3.174 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.045 -2.891 1.624 1.00 0.00 H new ATOM 235 N ARG A 17 -8.540 0.049 0.817 1.00 0.00 N ATOM 236 CA ARG A 17 -9.692 0.901 0.845 1.00 0.00 C ATOM 237 C ARG A 17 -10.846 0.261 0.082 1.00 0.00 C ATOM 238 O ARG A 17 -10.834 0.197 -1.145 1.00 0.00 O ATOM 239 CB ARG A 17 -9.373 2.309 0.289 1.00 0.00 C ATOM 240 CG ARG A 17 -10.595 3.227 0.189 1.00 0.00 C ATOM 241 CD ARG A 17 -11.264 3.444 1.543 1.00 0.00 C ATOM 242 NE ARG A 17 -12.552 4.134 1.419 1.00 0.00 N ATOM 243 CZ ARG A 17 -13.341 4.470 2.446 1.00 0.00 C ATOM 244 NH1 ARG A 17 -12.950 4.233 3.697 1.00 0.00 N ATOM 245 NH2 ARG A 17 -14.513 5.055 2.222 1.00 0.00 N ATOM 0 H ARG A 17 -8.316 -0.308 -0.112 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.991 1.024 1.886 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.627 2.781 0.928 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.926 2.206 -0.700 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.292 4.189 -0.223 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.316 2.796 -0.506 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.415 2.481 2.031 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.602 4.026 2.185 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.870 4.376 0.480 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.047 3.794 3.874 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.554 4.490 4.478 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.812 5.248 1.266 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.114 5.311 3.006 1.00 0.00 H new ATOM 259 N ARG A 18 -11.792 -0.256 0.842 1.00 0.00 N ATOM 260 CA ARG A 18 -13.041 -0.843 0.353 1.00 0.00 C ATOM 261 C ARG A 18 -12.799 -1.890 -0.757 1.00 0.00 C ATOM 262 O ARG A 18 -13.360 -1.824 -1.865 1.00 0.00 O ATOM 263 CB ARG A 18 -14.035 0.275 -0.049 1.00 0.00 C ATOM 264 CG ARG A 18 -15.435 -0.201 -0.415 1.00 0.00 C ATOM 265 CD ARG A 18 -16.395 0.968 -0.577 1.00 0.00 C ATOM 266 NE ARG A 18 -16.643 1.659 0.705 1.00 0.00 N ATOM 267 CZ ARG A 18 -17.110 2.906 0.848 1.00 0.00 C ATOM 268 NH1 ARG A 18 -17.340 3.672 -0.220 1.00 0.00 N ATOM 269 NH2 ARG A 18 -17.343 3.388 2.064 1.00 0.00 N ATOM 0 H ARG A 18 -11.716 -0.283 1.859 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.505 -1.404 1.165 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.114 0.983 0.776 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.621 0.819 -0.897 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.396 -0.772 -1.342 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.806 -0.874 0.358 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.986 1.676 -1.298 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -17.340 0.608 -0.984 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.440 1.139 1.559 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.160 3.309 -1.156 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.696 4.620 -0.100 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -17.166 2.809 2.885 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -17.699 4.337 2.177 1.00 0.00 H new TER 283 ARG A 18