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= -0.329 (180deg=-0.329) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.751 -2.237 -1.017 1.00 0.00 N ATOM 2 CA GLY A 1 -12.703 -3.394 -1.885 1.00 0.00 C ATOM 3 C GLY A 1 -11.473 -3.394 -2.776 1.00 0.00 C ATOM 4 O GLY A 1 -11.307 -4.275 -3.631 1.00 0.00 O ATOM 0 H2 GLY A 1 -13.607 -2.280 -0.428 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.711 -4.300 -1.280 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.599 -3.418 -2.506 1.00 0.00 H new ATOM 8 N VAL A 2 -10.615 -2.425 -2.577 1.00 0.00 N ATOM 9 CA VAL A 2 -9.400 -2.284 -3.348 1.00 0.00 C ATOM 10 C VAL A 2 -8.208 -2.424 -2.421 1.00 0.00 C ATOM 11 O VAL A 2 -8.131 -1.750 -1.402 1.00 0.00 O ATOM 12 CB VAL A 2 -9.317 -0.886 -4.041 1.00 0.00 C ATOM 13 CG1 VAL A 2 -8.063 -0.768 -4.902 1.00 0.00 C ATOM 14 CG2 VAL A 2 -10.563 -0.594 -4.864 1.00 0.00 C ATOM 0 H VAL A 2 -10.740 -1.703 -1.868 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.399 -3.057 -4.117 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.257 -0.138 -3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.035 0.216 -5.370 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.179 -0.898 -4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.078 -1.537 -5.674 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.469 0.386 -5.331 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.675 -1.355 -5.637 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.439 -0.604 -4.215 1.00 0.00 H new ATOM 24 N CYS A 3 -7.310 -3.296 -2.740 1.00 0.00 N ATOM 25 CA CYS A 3 -6.115 -3.423 -1.956 1.00 0.00 C ATOM 26 C CYS A 3 -4.944 -2.842 -2.711 1.00 0.00 C ATOM 27 O CYS A 3 -4.691 -3.204 -3.865 1.00 0.00 O ATOM 28 CB CYS A 3 -5.860 -4.865 -1.537 1.00 0.00 C ATOM 29 SG CYS A 3 -7.181 -5.594 -0.500 1.00 0.00 S ATOM 0 H CYS A 3 -7.375 -3.932 -3.535 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.247 -2.857 -1.034 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.739 -5.475 -2.432 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.918 -4.911 -0.990 1.00 0.00 H new ATOM 34 N ARG A 4 -4.272 -1.907 -2.093 1.00 0.00 N ATOM 35 CA ARG A 4 -3.151 -1.252 -2.715 1.00 0.00 C ATOM 36 C ARG A 4 -1.894 -1.404 -1.889 1.00 0.00 C ATOM 37 O ARG A 4 -1.873 -1.071 -0.697 1.00 0.00 O ATOM 38 CB ARG A 4 -3.453 0.245 -2.956 1.00 0.00 C ATOM 39 CG ARG A 4 -2.256 1.064 -3.467 1.00 0.00 C ATOM 40 CD ARG A 4 -1.734 0.555 -4.803 1.00 0.00 C ATOM 41 NE ARG A 4 -2.714 0.709 -5.870 1.00 0.00 N ATOM 42 CZ ARG A 4 -2.735 0.019 -7.003 1.00 0.00 C ATOM 43 NH1 ARG A 4 -1.890 -0.995 -7.188 1.00 0.00 N ATOM 44 NH2 ARG A 4 -3.621 0.324 -7.940 1.00 0.00 N ATOM 0 H ARG A 4 -4.484 -1.579 -1.151 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.984 -1.735 -3.678 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.267 0.327 -3.676 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.807 0.686 -2.024 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.551 2.108 -3.569 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -1.454 1.030 -2.730 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -0.825 1.096 -5.066 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.464 -0.497 -4.709 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.446 1.406 -5.734 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -1.224 -1.243 -6.457 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -1.910 -1.523 -8.061 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.282 1.086 -7.788 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.642 -0.203 -8.813 1.00 0.00 H new ATOM 58 N CYS A 5 -0.874 -1.930 -2.504 1.00 0.00 N ATOM 59 CA CYS A 5 0.418 -1.998 -1.896 1.00 0.00 C ATOM 60 C CYS A 5 1.301 -0.949 -2.509 1.00 0.00 C ATOM 61 O CYS A 5 1.319 -0.771 -3.724 1.00 0.00 O ATOM 62 CB CYS A 5 1.074 -3.357 -2.068 1.00 0.00 C ATOM 63 SG CYS A 5 0.156 -4.769 -1.363 1.00 0.00 S ATOM 0 H CYS A 5 -0.918 -2.324 -3.444 1.00 0.00 H new ATOM 0 HA CYS A 5 0.287 -1.830 -0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.222 -3.537 -3.133 1.00 0.00 H new ATOM 0 HB3 CYS A 5 2.063 -3.324 -1.610 1.00 0.00 H new ATOM 68 N VAL A 6 1.984 -0.257 -1.681 1.00 0.00 N ATOM 69 CA VAL A 6 2.937 0.752 -2.070 1.00 0.00 C ATOM 70 C VAL A 6 4.282 0.296 -1.559 1.00 0.00 C ATOM 71 O VAL A 6 4.440 0.071 -0.358 1.00 0.00 O ATOM 72 CB VAL A 6 2.591 2.144 -1.453 1.00 0.00 C ATOM 73 CG1 VAL A 6 3.604 3.203 -1.874 1.00 0.00 C ATOM 74 CG2 VAL A 6 1.182 2.582 -1.844 1.00 0.00 C ATOM 0 H VAL A 6 1.904 -0.369 -0.670 1.00 0.00 H new ATOM 0 HA VAL A 6 2.928 0.871 -3.153 1.00 0.00 H new ATOM 0 HB VAL A 6 2.634 2.039 -0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.336 4.161 -1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.598 2.911 -1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.604 3.295 -2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.967 3.554 -1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.111 2.654 -2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.460 1.851 -1.481 1.00 0.00 H new ATOM 84 N CYS A 7 5.213 0.104 -2.431 1.00 0.00 N ATOM 85 CA CYS A 7 6.500 -0.373 -2.016 1.00 0.00 C ATOM 86 C CYS A 7 7.529 0.716 -2.011 1.00 0.00 C ATOM 87 O CYS A 7 7.664 1.477 -2.980 1.00 0.00 O ATOM 88 CB CYS A 7 6.960 -1.557 -2.845 1.00 0.00 C ATOM 89 SG CYS A 7 5.814 -2.987 -2.800 1.00 0.00 S ATOM 0 H CYS A 7 5.114 0.267 -3.433 1.00 0.00 H new ATOM 0 HA CYS A 7 6.386 -0.717 -0.988 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.085 -1.237 -3.879 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.939 -1.878 -2.490 1.00 0.00 H new ATOM 94 N ARG A 8 8.226 0.806 -0.918 1.00 0.00 N ATOM 95 CA ARG A 8 9.285 1.762 -0.757 1.00 0.00 C ATOM 96 C ARG A 8 10.476 1.097 -0.095 1.00 0.00 C ATOM 97 O ARG A 8 10.396 0.681 1.070 1.00 0.00 O ATOM 98 CB ARG A 8 8.831 2.965 0.076 1.00 0.00 C ATOM 99 CG ARG A 8 9.911 4.022 0.237 1.00 0.00 C ATOM 100 CD ARG A 8 9.461 5.163 1.126 1.00 0.00 C ATOM 101 NE ARG A 8 8.308 5.893 0.580 1.00 0.00 N ATOM 102 CZ ARG A 8 7.687 6.897 1.207 1.00 0.00 C ATOM 103 NH1 ARG A 8 8.043 7.236 2.450 1.00 0.00 N ATOM 104 NH2 ARG A 8 6.698 7.534 0.604 1.00 0.00 N ATOM 0 H ARG A 8 8.075 0.212 -0.103 1.00 0.00 H new ATOM 0 HA ARG A 8 9.568 2.125 -1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.957 3.416 -0.395 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.519 2.620 1.062 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.806 3.565 0.659 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.185 4.412 -0.743 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.203 4.771 2.110 1.00 0.00 H new ATOM 0 HD3 ARG A 8 10.290 5.856 1.266 1.00 0.00 H new ATOM 0 HE ARG A 8 7.959 5.615 -0.337 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.791 6.728 2.923 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.567 8.003 2.926 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.412 7.259 -0.336 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.221 8.301 1.078 1.00 0.00 H new ATOM 118 N ARG A 9 11.547 0.944 -0.863 1.00 0.00 N ATOM 119 CA ARG A 9 12.819 0.388 -0.397 1.00 0.00 C ATOM 120 C ARG A 9 12.626 -1.051 0.127 1.00 0.00 C ATOM 121 O ARG A 9 13.170 -1.463 1.146 1.00 0.00 O ATOM 122 CB ARG A 9 13.475 1.343 0.643 1.00 0.00 C ATOM 123 CG ARG A 9 14.877 0.964 1.163 1.00 0.00 C ATOM 124 CD ARG A 9 15.945 0.834 0.056 1.00 0.00 C ATOM 125 NE ARG A 9 15.747 -0.337 -0.826 1.00 0.00 N ATOM 126 CZ ARG A 9 16.112 -1.597 -0.520 1.00 0.00 C ATOM 127 NH1 ARG A 9 16.578 -1.887 0.685 1.00 0.00 N ATOM 128 NH2 ARG A 9 15.963 -2.563 -1.403 1.00 0.00 N ATOM 0 H ARG A 9 11.560 1.207 -1.848 1.00 0.00 H new ATOM 0 HA ARG A 9 13.514 0.314 -1.234 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.537 2.336 0.198 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.806 1.419 1.500 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.203 1.717 1.881 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.810 0.019 1.701 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.939 1.740 -0.550 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.929 0.767 0.519 1.00 0.00 H new ATOM 0 HE ARG A 9 15.302 -0.179 -1.730 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.663 -1.154 1.389 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.852 -2.844 0.909 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.570 -2.358 -2.322 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.240 -3.516 -1.168 1.00 0.00 H new ATOM 142 N GLY A 10 11.805 -1.788 -0.579 1.00 0.00 N ATOM 143 CA GLY A 10 11.558 -3.167 -0.249 1.00 0.00 C ATOM 144 C GLY A 10 10.484 -3.328 0.799 1.00 0.00 C ATOM 145 O GLY A 10 10.082 -4.450 1.113 1.00 0.00 O ATOM 0 H GLY A 10 11.292 -1.450 -1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.265 -3.706 -1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.481 -3.622 0.109 1.00 0.00 H new ATOM 149 N VAL A 11 10.041 -2.232 1.372 1.00 0.00 N ATOM 150 CA VAL A 11 9.004 -2.268 2.365 1.00 0.00 C ATOM 151 C VAL A 11 7.694 -1.965 1.686 1.00 0.00 C ATOM 152 O VAL A 11 7.490 -0.867 1.174 1.00 0.00 O ATOM 153 CB VAL A 11 9.250 -1.241 3.500 1.00 0.00 C ATOM 154 CG1 VAL A 11 8.179 -1.359 4.576 1.00 0.00 C ATOM 155 CG2 VAL A 11 10.630 -1.423 4.106 1.00 0.00 C ATOM 0 H VAL A 11 10.391 -1.297 1.161 1.00 0.00 H new ATOM 0 HA VAL A 11 8.992 -3.258 2.822 1.00 0.00 H new ATOM 0 HB VAL A 11 9.195 -0.243 3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.371 -0.629 5.362 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.200 -1.170 4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.198 -2.363 5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.778 -0.691 4.900 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.716 -2.428 4.519 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.387 -1.281 3.335 1.00 0.00 H new ATOM 165 N CYS A 12 6.837 -2.924 1.639 1.00 0.00 N ATOM 166 CA CYS A 12 5.579 -2.752 0.989 1.00 0.00 C ATOM 167 C CYS A 12 4.468 -2.549 1.996 1.00 0.00 C ATOM 168 O CYS A 12 4.259 -3.367 2.901 1.00 0.00 O ATOM 169 CB CYS A 12 5.282 -3.924 0.057 1.00 0.00 C ATOM 170 SG CYS A 12 6.511 -4.154 -1.284 1.00 0.00 S ATOM 0 H CYS A 12 6.984 -3.847 2.047 1.00 0.00 H new ATOM 0 HA CYS A 12 5.635 -1.851 0.379 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.231 -4.839 0.648 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.298 -3.778 -0.389 1.00 0.00 H new ATOM 175 N ARG A 13 3.800 -1.438 1.869 1.00 0.00 N ATOM 176 CA ARG A 13 2.676 -1.101 2.700 1.00 0.00 C ATOM 177 C ARG A 13 1.419 -1.452 1.947 1.00 0.00 C ATOM 178 O ARG A 13 1.191 -0.926 0.867 1.00 0.00 O ATOM 179 CB ARG A 13 2.689 0.406 3.021 1.00 0.00 C ATOM 180 CG ARG A 13 3.919 0.878 3.788 1.00 0.00 C ATOM 181 CD ARG A 13 4.017 0.171 5.118 1.00 0.00 C ATOM 182 NE ARG A 13 5.173 0.585 5.906 1.00 0.00 N ATOM 183 CZ ARG A 13 5.651 -0.105 6.942 1.00 0.00 C ATOM 184 NH1 ARG A 13 5.118 -1.270 7.270 1.00 0.00 N ATOM 185 NH2 ARG A 13 6.675 0.363 7.628 1.00 0.00 N ATOM 0 H ARG A 13 4.024 -0.727 1.173 1.00 0.00 H new ATOM 0 HA ARG A 13 2.724 -1.653 3.639 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.622 0.964 2.087 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.799 0.649 3.602 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.817 0.686 3.201 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.865 1.955 3.945 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.109 0.360 5.690 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.068 -0.904 4.947 1.00 0.00 H new ATOM 0 HE ARG A 13 5.643 1.453 5.649 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.338 -1.644 6.730 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.487 -1.794 8.063 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.101 1.252 7.366 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.041 -0.164 8.421 1.00 0.00 H new ATOM 199 N CYS A 14 0.631 -2.342 2.472 1.00 0.00 N ATOM 200 CA CYS A 14 -0.579 -2.736 1.792 1.00 0.00 C ATOM 201 C CYS A 14 -1.781 -2.342 2.590 1.00 0.00 C ATOM 202 O CYS A 14 -1.899 -2.669 3.773 1.00 0.00 O ATOM 203 CB CYS A 14 -0.614 -4.213 1.514 1.00 0.00 C ATOM 204 SG CYS A 14 0.806 -4.855 0.560 1.00 0.00 S ATOM 0 H CYS A 14 0.797 -2.810 3.363 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.593 -2.215 0.835 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.664 -4.745 2.464 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.531 -4.443 0.971 1.00 0.00 H new ATOM 209 N VAL A 15 -2.649 -1.647 1.951 1.00 0.00 N ATOM 210 CA VAL A 15 -3.842 -1.128 2.562 1.00 0.00 C ATOM 211 C VAL A 15 -5.044 -1.545 1.745 1.00 0.00 C ATOM 212 O VAL A 15 -5.094 -1.296 0.533 1.00 0.00 O ATOM 213 CB VAL A 15 -3.810 0.436 2.653 1.00 0.00 C ATOM 214 CG1 VAL A 15 -5.085 0.973 3.287 1.00 0.00 C ATOM 215 CG2 VAL A 15 -2.591 0.922 3.433 1.00 0.00 C ATOM 0 H VAL A 15 -2.558 -1.411 0.963 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.904 -1.531 3.573 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.740 0.819 1.635 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.036 2.061 3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.944 0.676 2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.190 0.567 4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.598 2.011 3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.621 0.517 4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.682 0.586 2.934 1.00 0.00 H new ATOM 225 N CYS A 16 -5.966 -2.217 2.371 1.00 0.00 N ATOM 226 CA CYS A 16 -7.198 -2.552 1.726 1.00 0.00 C ATOM 227 C CYS A 16 -8.250 -1.564 2.122 1.00 0.00 C ATOM 228 O CYS A 16 -8.420 -1.263 3.304 1.00 0.00 O ATOM 229 CB CYS A 16 -7.657 -3.971 2.034 1.00 0.00 C ATOM 230 SG CYS A 16 -6.551 -5.285 1.408 1.00 0.00 S ATOM 0 H CYS A 16 -5.885 -2.545 3.334 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.030 -2.508 0.650 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.754 -4.081 3.114 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.650 -4.117 1.609 1.00 0.00 H new ATOM 235 N ARG A 17 -8.910 -1.031 1.148 1.00 0.00 N ATOM 236 CA ARG A 17 -9.942 -0.058 1.364 1.00 0.00 C ATOM 237 C ARG A 17 -10.931 -0.086 0.230 1.00 0.00 C ATOM 238 O ARG A 17 -10.543 -0.166 -0.937 1.00 0.00 O ATOM 239 CB ARG A 17 -9.352 1.349 1.482 1.00 0.00 C ATOM 240 CG ARG A 17 -8.593 1.807 0.246 1.00 0.00 C ATOM 241 CD ARG A 17 -8.086 3.221 0.394 1.00 0.00 C ATOM 242 NE ARG A 17 -7.261 3.411 1.602 1.00 0.00 N ATOM 243 CZ ARG A 17 -6.184 4.209 1.678 1.00 0.00 C ATOM 244 NH1 ARG A 17 -5.727 4.817 0.590 1.00 0.00 N ATOM 245 NH2 ARG A 17 -5.574 4.399 2.849 1.00 0.00 N ATOM 0 H ARG A 17 -8.750 -1.258 0.166 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.447 -0.309 2.297 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.158 2.054 1.683 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.681 1.380 2.340 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.753 1.136 0.066 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.245 1.743 -0.625 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.499 3.485 -0.486 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.935 3.904 0.428 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.529 2.898 2.442 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.194 4.678 -0.306 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.909 5.423 0.650 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.926 3.938 3.688 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.756 5.006 2.905 1.00 0.00 H new ATOM 259 N ARG A 18 -12.198 -0.085 0.577 1.00 0.00 N ATOM 260 CA ARG A 18 -13.300 0.047 -0.376 1.00 0.00 C ATOM 261 C ARG A 18 -13.318 -1.119 -1.402 1.00 0.00 C ATOM 262 O ARG A 18 -13.828 -0.991 -2.517 1.00 0.00 O ATOM 263 CB ARG A 18 -13.190 1.434 -1.071 1.00 0.00 C ATOM 264 CG ARG A 18 -14.433 1.896 -1.816 1.00 0.00 C ATOM 265 CD ARG A 18 -15.591 2.006 -0.854 1.00 0.00 C ATOM 266 NE ARG A 18 -16.770 2.613 -1.444 1.00 0.00 N ATOM 267 CZ ARG A 18 -17.797 3.076 -0.737 1.00 0.00 C ATOM 268 NH1 ARG A 18 -17.821 2.915 0.576 1.00 0.00 N ATOM 269 NH2 ARG A 18 -18.807 3.682 -1.345 1.00 0.00 N ATOM 0 H ARG A 18 -12.507 -0.177 1.545 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.249 -0.012 0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.942 2.180 -0.316 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.357 1.403 -1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.248 2.860 -2.289 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.675 1.192 -2.612 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.847 1.011 -0.489 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.282 2.594 0.011 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.813 2.689 -2.460 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.052 2.436 1.045 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -18.608 3.270 1.119 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -18.798 3.795 -2.359 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -19.593 4.036 -0.799 1.00 0.00 H new TER 283 ARG A 18