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= -0.0974 (180deg=-0.0974) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.485 -2.986 -0.467 1.00 0.00 N ATOM 2 CA GLY A 1 -12.261 -4.114 -1.337 1.00 0.00 C ATOM 3 C GLY A 1 -11.064 -3.942 -2.244 1.00 0.00 C ATOM 4 O GLY A 1 -10.621 -4.899 -2.888 1.00 0.00 O ATOM 0 H2 GLY A 1 -13.319 -3.167 0.128 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.123 -5.009 -0.731 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.150 -4.276 -1.947 1.00 0.00 H new ATOM 8 N VAL A 2 -10.536 -2.745 -2.310 1.00 0.00 N ATOM 9 CA VAL A 2 -9.399 -2.477 -3.154 1.00 0.00 C ATOM 10 C VAL A 2 -8.152 -2.415 -2.293 1.00 0.00 C ATOM 11 O VAL A 2 -8.081 -1.625 -1.348 1.00 0.00 O ATOM 12 CB VAL A 2 -9.563 -1.139 -3.937 1.00 0.00 C ATOM 13 CG1 VAL A 2 -8.372 -0.884 -4.860 1.00 0.00 C ATOM 14 CG2 VAL A 2 -10.867 -1.134 -4.728 1.00 0.00 C ATOM 0 H VAL A 2 -10.877 -1.938 -1.787 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.318 -3.280 -3.887 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.598 -0.330 -3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.518 0.057 -5.391 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.458 -0.829 -4.268 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.289 -1.698 -5.580 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.962 -0.191 -5.267 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.864 -1.960 -5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.708 -1.247 -4.044 1.00 0.00 H new ATOM 24 N CYS A 3 -7.200 -3.257 -2.579 1.00 0.00 N ATOM 25 CA CYS A 3 -5.980 -3.278 -1.833 1.00 0.00 C ATOM 26 C CYS A 3 -4.833 -2.775 -2.686 1.00 0.00 C ATOM 27 O CYS A 3 -4.584 -3.274 -3.791 1.00 0.00 O ATOM 28 CB CYS A 3 -5.668 -4.675 -1.285 1.00 0.00 C ATOM 29 SG CYS A 3 -6.817 -5.274 0.000 1.00 0.00 S ATOM 0 H CYS A 3 -7.249 -3.943 -3.332 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.106 -2.614 -0.978 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.672 -5.383 -2.114 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.658 -4.671 -0.875 1.00 0.00 H new ATOM 34 N ARG A 4 -4.156 -1.792 -2.188 1.00 0.00 N ATOM 35 CA ARG A 4 -3.047 -1.192 -2.858 1.00 0.00 C ATOM 36 C ARG A 4 -1.782 -1.472 -2.068 1.00 0.00 C ATOM 37 O ARG A 4 -1.643 -1.029 -0.920 1.00 0.00 O ATOM 38 CB ARG A 4 -3.287 0.314 -2.981 1.00 0.00 C ATOM 39 CG ARG A 4 -2.182 1.089 -3.678 1.00 0.00 C ATOM 40 CD ARG A 4 -2.550 2.555 -3.770 1.00 0.00 C ATOM 41 NE ARG A 4 -1.499 3.370 -4.386 1.00 0.00 N ATOM 42 CZ ARG A 4 -1.664 4.641 -4.791 1.00 0.00 C ATOM 43 NH1 ARG A 4 -2.870 5.192 -4.763 1.00 0.00 N ATOM 44 NH2 ARG A 4 -0.633 5.343 -5.245 1.00 0.00 N ATOM 0 H ARG A 4 -4.364 -1.373 -1.281 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.937 -1.610 -3.859 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.219 0.474 -3.523 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.424 0.727 -1.982 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -1.247 0.975 -3.130 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.018 0.684 -4.677 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.468 2.658 -4.348 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.758 2.935 -2.770 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.581 2.944 -4.516 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.670 4.651 -4.435 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -2.997 6.156 -5.070 1.00 0.00 H new ATOM 0 HH21 ARG A 4 0.293 4.918 -5.289 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -0.767 6.307 -5.550 1.00 0.00 H new ATOM 58 N CYS A 5 -0.908 -2.244 -2.635 1.00 0.00 N ATOM 59 CA CYS A 5 0.350 -2.537 -1.997 1.00 0.00 C ATOM 60 C CYS A 5 1.448 -1.744 -2.676 1.00 0.00 C ATOM 61 O CYS A 5 1.453 -1.602 -3.906 1.00 0.00 O ATOM 62 CB CYS A 5 0.662 -4.030 -2.053 1.00 0.00 C ATOM 63 SG CYS A 5 -0.655 -5.116 -1.379 1.00 0.00 S ATOM 0 H CYS A 5 -1.038 -2.688 -3.544 1.00 0.00 H new ATOM 0 HA CYS A 5 0.287 -2.252 -0.947 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.849 -4.309 -3.090 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.584 -4.215 -1.502 1.00 0.00 H new ATOM 68 N VAL A 6 2.343 -1.214 -1.890 1.00 0.00 N ATOM 69 CA VAL A 6 3.444 -0.423 -2.390 1.00 0.00 C ATOM 70 C VAL A 6 4.727 -0.866 -1.693 1.00 0.00 C ATOM 71 O VAL A 6 4.706 -1.196 -0.494 1.00 0.00 O ATOM 72 CB VAL A 6 3.195 1.110 -2.187 1.00 0.00 C ATOM 73 CG1 VAL A 6 3.073 1.480 -0.716 1.00 0.00 C ATOM 74 CG2 VAL A 6 4.266 1.952 -2.877 1.00 0.00 C ATOM 0 H VAL A 6 2.333 -1.317 -0.875 1.00 0.00 H new ATOM 0 HA VAL A 6 3.536 -0.585 -3.464 1.00 0.00 H new ATOM 0 HB VAL A 6 2.239 1.336 -2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.901 2.552 -0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.237 0.939 -0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.994 1.214 -0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.059 3.010 -2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.244 1.706 -2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.260 1.742 -3.947 1.00 0.00 H new ATOM 84 N CYS A 7 5.812 -0.928 -2.419 1.00 0.00 N ATOM 85 CA CYS A 7 7.049 -1.351 -1.834 1.00 0.00 C ATOM 86 C CYS A 7 7.970 -0.189 -1.524 1.00 0.00 C ATOM 87 O CYS A 7 8.248 0.679 -2.367 1.00 0.00 O ATOM 88 CB CYS A 7 7.734 -2.427 -2.657 1.00 0.00 C ATOM 89 SG CYS A 7 6.715 -3.932 -2.894 1.00 0.00 S ATOM 0 H CYS A 7 5.861 -0.692 -3.410 1.00 0.00 H new ATOM 0 HA CYS A 7 6.798 -1.805 -0.876 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.993 -2.016 -3.633 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.669 -2.705 -2.170 1.00 0.00 H new ATOM 94 N ARG A 8 8.405 -0.176 -0.308 1.00 0.00 N ATOM 95 CA ARG A 8 9.254 0.829 0.228 1.00 0.00 C ATOM 96 C ARG A 8 10.527 0.179 0.733 1.00 0.00 C ATOM 97 O ARG A 8 10.568 -0.345 1.849 1.00 0.00 O ATOM 98 CB ARG A 8 8.516 1.562 1.365 1.00 0.00 C ATOM 99 CG ARG A 8 9.338 2.601 2.125 1.00 0.00 C ATOM 100 CD ARG A 8 9.852 3.704 1.221 1.00 0.00 C ATOM 101 NE ARG A 8 10.473 4.782 1.994 1.00 0.00 N ATOM 102 CZ ARG A 8 11.286 5.715 1.500 1.00 0.00 C ATOM 103 NH1 ARG A 8 11.696 5.646 0.235 1.00 0.00 N ATOM 104 NH2 ARG A 8 11.692 6.706 2.282 1.00 0.00 N ATOM 0 H ARG A 8 8.165 -0.901 0.368 1.00 0.00 H new ATOM 0 HA ARG A 8 9.516 1.559 -0.538 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.639 2.055 0.946 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.155 0.820 2.077 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.726 3.037 2.915 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.181 2.109 2.610 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.578 3.293 0.519 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.029 4.105 0.630 1.00 0.00 H new ATOM 0 HE ARG A 8 10.266 4.822 2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.388 4.877 -0.360 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.318 6.362 -0.139 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.382 6.749 3.253 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.314 7.425 1.913 1.00 0.00 H new ATOM 118 N ARG A 9 11.519 0.133 -0.135 1.00 0.00 N ATOM 119 CA ARG A 9 12.857 -0.351 0.183 1.00 0.00 C ATOM 120 C ARG A 9 12.813 -1.773 0.793 1.00 0.00 C ATOM 121 O ARG A 9 13.319 -2.025 1.894 1.00 0.00 O ATOM 122 CB ARG A 9 13.570 0.664 1.108 1.00 0.00 C ATOM 123 CG ARG A 9 15.052 0.390 1.356 1.00 0.00 C ATOM 124 CD ARG A 9 15.841 0.385 0.060 1.00 0.00 C ATOM 125 NE ARG A 9 15.706 1.647 -0.678 1.00 0.00 N ATOM 126 CZ ARG A 9 15.552 1.748 -2.007 1.00 0.00 C ATOM 127 NH1 ARG A 9 15.453 0.656 -2.764 1.00 0.00 N ATOM 128 NH2 ARG A 9 15.481 2.942 -2.572 1.00 0.00 N ATOM 0 H ARG A 9 11.419 0.437 -1.104 1.00 0.00 H new ATOM 0 HA ARG A 9 13.435 -0.433 -0.738 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.469 1.659 0.675 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.055 0.680 2.068 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.456 1.149 2.026 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.167 -0.571 1.857 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.894 0.205 0.278 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.500 -0.439 -0.567 1.00 0.00 H new ATOM 0 HE ARG A 9 15.731 2.513 -0.139 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.494 -0.268 -2.334 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.336 0.744 -3.773 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.543 3.783 -1.998 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.364 3.022 -3.582 1.00 0.00 H new ATOM 142 N GLY A 10 12.149 -2.668 0.093 1.00 0.00 N ATOM 143 CA GLY A 10 12.055 -4.046 0.525 1.00 0.00 C ATOM 144 C GLY A 10 10.833 -4.320 1.386 1.00 0.00 C ATOM 145 O GLY A 10 10.410 -5.477 1.532 1.00 0.00 O ATOM 0 H GLY A 10 11.665 -2.465 -0.781 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.027 -4.694 -0.351 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.953 -4.307 1.086 1.00 0.00 H new ATOM 149 N VAL A 11 10.263 -3.285 1.955 1.00 0.00 N ATOM 150 CA VAL A 11 9.097 -3.434 2.793 1.00 0.00 C ATOM 151 C VAL A 11 7.862 -3.131 1.968 1.00 0.00 C ATOM 152 O VAL A 11 7.636 -1.994 1.580 1.00 0.00 O ATOM 153 CB VAL A 11 9.147 -2.469 4.014 1.00 0.00 C ATOM 154 CG1 VAL A 11 7.945 -2.665 4.929 1.00 0.00 C ATOM 155 CG2 VAL A 11 10.442 -2.646 4.790 1.00 0.00 C ATOM 0 H VAL A 11 10.590 -2.324 1.852 1.00 0.00 H new ATOM 0 HA VAL A 11 9.069 -4.456 3.170 1.00 0.00 H new ATOM 0 HB VAL A 11 9.111 -1.450 3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.012 -1.976 5.771 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.028 -2.470 4.372 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.933 -3.690 5.300 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.454 -1.962 5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.513 -3.672 5.151 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.289 -2.431 4.138 1.00 0.00 H new ATOM 165 N CYS A 12 7.092 -4.124 1.671 1.00 0.00 N ATOM 166 CA CYS A 12 5.901 -3.906 0.911 1.00 0.00 C ATOM 167 C CYS A 12 4.728 -3.826 1.845 1.00 0.00 C ATOM 168 O CYS A 12 4.477 -4.735 2.631 1.00 0.00 O ATOM 169 CB CYS A 12 5.725 -4.973 -0.167 1.00 0.00 C ATOM 170 SG CYS A 12 7.166 -5.119 -1.304 1.00 0.00 S ATOM 0 H CYS A 12 7.263 -5.093 1.941 1.00 0.00 H new ATOM 0 HA CYS A 12 5.976 -2.958 0.379 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.552 -5.937 0.312 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.834 -4.743 -0.751 1.00 0.00 H new ATOM 175 N ARG A 13 4.044 -2.723 1.796 1.00 0.00 N ATOM 176 CA ARG A 13 2.942 -2.492 2.685 1.00 0.00 C ATOM 177 C ARG A 13 1.651 -2.419 1.900 1.00 0.00 C ATOM 178 O ARG A 13 1.611 -1.844 0.804 1.00 0.00 O ATOM 179 CB ARG A 13 3.184 -1.230 3.542 1.00 0.00 C ATOM 180 CG ARG A 13 3.296 0.089 2.775 1.00 0.00 C ATOM 181 CD ARG A 13 3.691 1.219 3.714 1.00 0.00 C ATOM 182 NE ARG A 13 3.675 2.550 3.074 1.00 0.00 N ATOM 183 CZ ARG A 13 4.544 3.544 3.356 1.00 0.00 C ATOM 184 NH1 ARG A 13 5.651 3.295 4.044 1.00 0.00 N ATOM 185 NH2 ARG A 13 4.329 4.777 2.908 1.00 0.00 N ATOM 0 H ARG A 13 4.231 -1.961 1.144 1.00 0.00 H new ATOM 0 HA ARG A 13 2.857 -3.329 3.378 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.370 -1.141 4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.100 -1.374 4.114 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.036 -0.007 1.981 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.344 0.321 2.297 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.012 1.226 4.567 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.690 1.024 4.104 1.00 0.00 H new ATOM 0 HE ARG A 13 2.958 2.731 2.371 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.850 2.347 4.364 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.303 4.051 4.253 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.502 4.978 2.346 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.991 5.522 3.126 1.00 0.00 H new ATOM 199 N CYS A 14 0.629 -3.041 2.412 1.00 0.00 N ATOM 200 CA CYS A 14 -0.644 -3.052 1.759 1.00 0.00 C ATOM 201 C CYS A 14 -1.657 -2.262 2.531 1.00 0.00 C ATOM 202 O CYS A 14 -1.778 -2.378 3.762 1.00 0.00 O ATOM 203 CB CYS A 14 -1.147 -4.459 1.542 1.00 0.00 C ATOM 204 SG CYS A 14 -0.055 -5.510 0.520 1.00 0.00 S ATOM 0 H CYS A 14 0.656 -3.554 3.293 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.504 -2.585 0.784 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.283 -4.936 2.513 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.128 -4.411 1.070 1.00 0.00 H new ATOM 209 N VAL A 15 -2.351 -1.457 1.815 1.00 0.00 N ATOM 210 CA VAL A 15 -3.406 -0.632 2.336 1.00 0.00 C ATOM 211 C VAL A 15 -4.680 -1.049 1.637 1.00 0.00 C ATOM 212 O VAL A 15 -4.708 -1.135 0.411 1.00 0.00 O ATOM 213 CB VAL A 15 -3.118 0.874 2.066 1.00 0.00 C ATOM 214 CG1 VAL A 15 -4.245 1.760 2.593 1.00 0.00 C ATOM 215 CG2 VAL A 15 -1.789 1.283 2.691 1.00 0.00 C ATOM 0 H VAL A 15 -2.204 -1.341 0.812 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.489 -0.759 3.415 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.059 1.012 0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.012 2.805 2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.179 1.493 2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.349 1.615 3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.603 2.339 2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.827 1.117 3.768 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.985 0.686 2.260 1.00 0.00 H new ATOM 225 N CYS A 16 -5.701 -1.344 2.377 1.00 0.00 N ATOM 226 CA CYS A 16 -6.930 -1.802 1.772 1.00 0.00 C ATOM 227 C CYS A 16 -8.071 -0.883 2.094 1.00 0.00 C ATOM 228 O CYS A 16 -8.226 -0.447 3.243 1.00 0.00 O ATOM 229 CB CYS A 16 -7.266 -3.227 2.202 1.00 0.00 C ATOM 230 SG CYS A 16 -6.041 -4.492 1.710 1.00 0.00 S ATOM 0 H CYS A 16 -5.718 -1.280 3.395 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.777 -1.797 0.693 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.372 -3.248 3.287 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.235 -3.498 1.782 1.00 0.00 H new ATOM 235 N ARG A 17 -8.848 -0.570 1.094 1.00 0.00 N ATOM 236 CA ARG A 17 -10.015 0.259 1.273 1.00 0.00 C ATOM 237 C ARG A 17 -11.133 -0.158 0.333 1.00 0.00 C ATOM 238 O ARG A 17 -10.955 -0.173 -0.896 1.00 0.00 O ATOM 239 CB ARG A 17 -9.689 1.752 1.103 1.00 0.00 C ATOM 240 CG ARG A 17 -10.892 2.667 1.317 1.00 0.00 C ATOM 241 CD ARG A 17 -10.507 4.135 1.287 1.00 0.00 C ATOM 242 NE ARG A 17 -9.549 4.477 2.348 1.00 0.00 N ATOM 243 CZ ARG A 17 -9.647 5.519 3.172 1.00 0.00 C ATOM 244 NH1 ARG A 17 -10.715 6.320 3.130 1.00 0.00 N ATOM 245 NH2 ARG A 17 -8.678 5.755 4.044 1.00 0.00 N ATOM 0 H ARG A 17 -8.694 -0.879 0.134 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.357 0.113 2.298 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.904 2.027 1.808 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.291 1.917 0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.636 2.472 0.545 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.358 2.435 2.275 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.074 4.376 0.316 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.403 4.747 1.397 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.741 3.865 2.463 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.464 6.136 2.463 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.781 7.115 3.765 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.864 5.141 4.081 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.745 6.551 4.678 1.00 0.00 H new ATOM 259 N ARG A 18 -12.252 -0.545 0.927 1.00 0.00 N ATOM 260 CA ARG A 18 -13.492 -0.896 0.238 1.00 0.00 C ATOM 261 C ARG A 18 -13.269 -2.000 -0.828 1.00 0.00 C ATOM 262 O ARG A 18 -13.752 -1.919 -1.962 1.00 0.00 O ATOM 263 CB ARG A 18 -14.163 0.361 -0.363 1.00 0.00 C ATOM 264 CG ARG A 18 -15.598 0.137 -0.796 1.00 0.00 C ATOM 265 CD ARG A 18 -16.192 1.352 -1.461 1.00 0.00 C ATOM 266 NE ARG A 18 -17.574 1.102 -1.870 1.00 0.00 N ATOM 267 CZ ARG A 18 -18.151 1.569 -2.978 1.00 0.00 C ATOM 268 NH1 ARG A 18 -17.458 2.308 -3.839 1.00 0.00 N ATOM 269 NH2 ARG A 18 -19.415 1.279 -3.228 1.00 0.00 N ATOM 0 H ARG A 18 -12.328 -0.627 1.941 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.175 -1.313 0.978 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.136 1.164 0.374 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.582 0.697 -1.222 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.640 -0.708 -1.484 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.200 -0.129 0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -16.159 2.199 -0.775 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.595 1.623 -2.331 1.00 0.00 H new ATOM 0 HE ARG A 18 -18.145 0.521 -1.256 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.478 2.521 -3.654 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.907 2.661 -4.684 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -19.944 0.701 -2.575 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -19.862 1.633 -4.074 1.00 0.00 H new TER 283 ARG A 18