USER MOD reduce.3.24.130724 H: found=0, std=0, add=148, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 150 hydrogens (14 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 NoAdj-H: A 3 ABA HN2 : A 3 ABA N : A 2 VAL C :(H bumps) USER MOD NoAdj-H: A 3 ABA H : A 3 ABA N : A 2 VAL C :(H bumps) USER MOD NoAdj-H: A 16 ABA HN2 : A 16 ABA N : A 15 VAL C :(H bumps) USER MOD NoAdj-H: A 16 ABA H : A 16 ABA N : A 15 VAL C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.0327 (180deg=-0.0327) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.216 -1.079 1.482 1.00 0.00 N ATOM 2 CA GLY A 1 -11.596 -2.445 1.298 1.00 0.00 C ATOM 3 C GLY A 1 -10.642 -3.210 0.403 1.00 0.00 C ATOM 4 O GLY A 1 -10.382 -4.397 0.641 1.00 0.00 O ATOM 0 H2 GLY A 1 -11.905 -0.607 2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.647 -2.936 2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.597 -2.483 0.869 1.00 0.00 H new ATOM 8 N VAL A 2 -10.079 -2.534 -0.591 1.00 0.00 N ATOM 9 CA VAL A 2 -9.214 -3.178 -1.574 1.00 0.00 C ATOM 10 C VAL A 2 -7.802 -3.349 -1.020 1.00 0.00 C ATOM 11 O VAL A 2 -7.052 -2.379 -0.878 1.00 0.00 O ATOM 12 CB VAL A 2 -9.174 -2.385 -2.913 1.00 0.00 C ATOM 13 CG1 VAL A 2 -8.264 -3.066 -3.932 1.00 0.00 C ATOM 14 CG2 VAL A 2 -10.577 -2.236 -3.481 1.00 0.00 C ATOM 0 H VAL A 2 -10.207 -1.533 -0.739 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.634 -4.162 -1.781 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.768 -1.395 -2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.257 -2.489 -4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.251 -3.125 -3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.633 -4.071 -4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.533 -1.679 -4.417 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.002 -3.223 -3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.203 -1.699 -2.768 1.00 0.00 H new HETATM 24 N ABA A 3 -7.455 -4.565 -0.706 1.00 0.00 N HETATM 25 CA ABA A 3 -6.172 -4.876 -0.124 1.00 0.00 C HETATM 26 C ABA A 3 -5.079 -4.856 -1.181 1.00 0.00 C HETATM 27 O ABA A 3 -5.013 -5.736 -2.049 1.00 0.00 O HETATM 28 CB ABA A 3 -6.217 -6.236 0.578 1.00 0.00 C HETATM 29 CG ABA A 3 -4.918 -6.615 1.268 1.00 0.00 C HETATM 0 HG3 ABA A 3 -4.677 -5.869 2.025 1.00 0.00 H new HETATM 0 HG2 ABA A 3 -4.115 -6.658 0.533 1.00 0.00 H new HETATM 0 HG1 ABA A 3 -5.029 -7.590 1.742 1.00 0.00 H new HETATM 0 HB3 ABA A 3 -6.466 -7.004 -0.154 1.00 0.00 H new HETATM 0 HB2 ABA A 3 -7.020 -6.227 1.315 1.00 0.00 H new HETATM 0 HA ABA A 3 -5.940 -4.112 0.618 1.00 0.00 H new ATOM 37 N ARG A 4 -4.251 -3.852 -1.123 1.00 0.00 N ATOM 38 CA ARG A 4 -3.127 -3.718 -2.019 1.00 0.00 C ATOM 39 C ARG A 4 -1.940 -3.223 -1.237 1.00 0.00 C ATOM 40 O ARG A 4 -2.095 -2.640 -0.161 1.00 0.00 O ATOM 41 CB ARG A 4 -3.448 -2.799 -3.206 1.00 0.00 C ATOM 42 CG ARG A 4 -3.994 -1.432 -2.834 1.00 0.00 C ATOM 43 CD ARG A 4 -4.253 -0.583 -4.073 1.00 0.00 C ATOM 44 NE ARG A 4 -5.118 -1.272 -5.039 1.00 0.00 N ATOM 45 CZ ARG A 4 -5.689 -0.717 -6.111 1.00 0.00 C ATOM 46 NH1 ARG A 4 -5.607 0.593 -6.325 1.00 0.00 N ATOM 47 NH2 ARG A 4 -6.356 -1.479 -6.955 1.00 0.00 N ATOM 0 H ARG A 4 -4.334 -3.093 -0.447 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.895 -4.693 -2.448 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.541 -2.663 -3.795 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.173 -3.300 -3.848 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.920 -1.549 -2.271 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.286 -0.921 -2.182 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.717 0.358 -3.778 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.304 -0.335 -4.548 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.299 -2.263 -4.877 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.103 1.187 -5.666 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -6.048 1.004 -7.148 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -6.432 -2.482 -6.786 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -6.796 -1.066 -7.777 1.00 0.00 H new ATOM 61 N CYS A 5 -0.778 -3.467 -1.724 1.00 0.00 N ATOM 62 CA CYS A 5 0.385 -3.123 -0.980 1.00 0.00 C ATOM 63 C CYS A 5 1.137 -1.995 -1.629 1.00 0.00 C ATOM 64 O CYS A 5 1.159 -1.863 -2.851 1.00 0.00 O ATOM 65 CB CYS A 5 1.274 -4.349 -0.766 1.00 0.00 C ATOM 66 SG CYS A 5 0.362 -5.846 -0.193 1.00 0.00 S ATOM 0 H CYS A 5 -0.604 -3.902 -2.630 1.00 0.00 H new ATOM 0 HA CYS A 5 0.067 -2.770 0.001 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.784 -4.583 -1.700 1.00 0.00 H new ATOM 0 HB3 CYS A 5 2.044 -4.103 -0.035 1.00 0.00 H new ATOM 71 N VAL A 6 1.714 -1.175 -0.813 1.00 0.00 N ATOM 72 CA VAL A 6 2.479 -0.053 -1.250 1.00 0.00 C ATOM 73 C VAL A 6 3.938 -0.382 -1.026 1.00 0.00 C ATOM 74 O VAL A 6 4.357 -0.615 0.112 1.00 0.00 O ATOM 75 CB VAL A 6 2.099 1.228 -0.444 1.00 0.00 C ATOM 76 CG1 VAL A 6 2.876 2.442 -0.933 1.00 0.00 C ATOM 77 CG2 VAL A 6 0.596 1.489 -0.513 1.00 0.00 C ATOM 0 H VAL A 6 1.665 -1.269 0.201 1.00 0.00 H new ATOM 0 HA VAL A 6 2.278 0.146 -2.303 1.00 0.00 H new ATOM 0 HB VAL A 6 2.370 1.054 0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.588 3.317 -0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.944 2.262 -0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.653 2.617 -1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.356 2.387 0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.298 1.628 -1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.059 0.639 -0.092 1.00 0.00 H new ATOM 87 N CYS A 7 4.682 -0.468 -2.091 1.00 0.00 N ATOM 88 CA CYS A 7 6.092 -0.756 -2.008 1.00 0.00 C ATOM 89 C CYS A 7 6.867 0.435 -2.417 1.00 0.00 C ATOM 90 O CYS A 7 6.621 1.013 -3.479 1.00 0.00 O ATOM 91 CB CYS A 7 6.497 -1.933 -2.868 1.00 0.00 C ATOM 92 SG CYS A 7 5.710 -3.517 -2.425 1.00 0.00 S ATOM 0 H CYS A 7 4.333 -0.341 -3.041 1.00 0.00 H new ATOM 0 HA CYS A 7 6.306 -1.017 -0.972 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.259 -1.704 -3.907 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.579 -2.053 -2.808 1.00 0.00 H new ATOM 97 N ARG A 8 7.789 0.801 -1.595 1.00 0.00 N ATOM 98 CA ARG A 8 8.612 1.967 -1.828 1.00 0.00 C ATOM 99 C ARG A 8 9.833 1.937 -0.949 1.00 0.00 C ATOM 100 O ARG A 8 9.766 1.482 0.178 1.00 0.00 O ATOM 101 CB ARG A 8 7.802 3.251 -1.630 1.00 0.00 C ATOM 102 CG ARG A 8 7.159 3.429 -0.260 1.00 0.00 C ATOM 103 CD ARG A 8 6.194 4.604 -0.286 1.00 0.00 C ATOM 104 NE ARG A 8 6.847 5.842 -0.748 1.00 0.00 N ATOM 105 CZ ARG A 8 6.425 6.615 -1.766 1.00 0.00 C ATOM 106 NH1 ARG A 8 5.438 6.202 -2.567 1.00 0.00 N ATOM 107 NH2 ARG A 8 7.036 7.760 -2.023 1.00 0.00 N ATOM 0 H ARG A 8 8.005 0.304 -0.731 1.00 0.00 H new ATOM 0 HA ARG A 8 8.952 1.952 -2.864 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.457 4.103 -1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.017 3.282 -2.385 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.629 2.519 0.023 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.929 3.597 0.493 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.355 4.370 -0.941 1.00 0.00 H new ATOM 0 HD3 ARG A 8 5.785 4.760 0.712 1.00 0.00 H new ATOM 0 HE ARG A 8 7.689 6.138 -0.255 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.999 5.295 -2.409 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.124 6.794 -3.336 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.826 8.056 -1.450 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.717 8.346 -2.794 1.00 0.00 H new ATOM 121 N ARG A 9 10.965 2.368 -1.502 1.00 0.00 N ATOM 122 CA ARG A 9 12.261 2.400 -0.809 1.00 0.00 C ATOM 123 C ARG A 9 12.704 0.964 -0.399 1.00 0.00 C ATOM 124 O ARG A 9 13.552 0.754 0.478 1.00 0.00 O ATOM 125 CB ARG A 9 12.209 3.376 0.381 1.00 0.00 C ATOM 126 CG ARG A 9 13.540 3.652 1.070 1.00 0.00 C ATOM 127 CD ARG A 9 13.380 4.658 2.194 1.00 0.00 C ATOM 128 NE ARG A 9 12.950 5.982 1.704 1.00 0.00 N ATOM 129 CZ ARG A 9 12.318 6.907 2.447 1.00 0.00 C ATOM 130 NH1 ARG A 9 11.947 6.632 3.696 1.00 0.00 N ATOM 131 NH2 ARG A 9 12.035 8.094 1.928 1.00 0.00 N ATOM 0 H ARG A 9 11.013 2.712 -2.461 1.00 0.00 H new ATOM 0 HA ARG A 9 13.024 2.775 -1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.799 4.324 0.032 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.513 2.981 1.121 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.946 2.722 1.467 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.258 4.028 0.341 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.650 4.284 2.912 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.326 4.759 2.725 1.00 0.00 H new ATOM 0 HE ARG A 9 13.147 6.212 0.730 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.142 5.714 4.096 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.468 7.339 4.253 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.297 8.305 0.965 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.555 8.796 2.492 1.00 0.00 H new ATOM 145 N GLY A 10 12.143 -0.017 -1.077 1.00 0.00 N ATOM 146 CA GLY A 10 12.457 -1.386 -0.811 1.00 0.00 C ATOM 147 C GLY A 10 11.600 -2.008 0.279 1.00 0.00 C ATOM 148 O GLY A 10 11.766 -3.184 0.601 1.00 0.00 O ATOM 0 H GLY A 10 11.461 0.122 -1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.337 -1.962 -1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.506 -1.460 -0.523 1.00 0.00 H new ATOM 152 N VAL A 11 10.679 -1.252 0.836 1.00 0.00 N ATOM 153 CA VAL A 11 9.819 -1.777 1.873 1.00 0.00 C ATOM 154 C VAL A 11 8.399 -1.804 1.348 1.00 0.00 C ATOM 155 O VAL A 11 8.024 -0.968 0.525 1.00 0.00 O ATOM 156 CB VAL A 11 9.921 -0.956 3.219 1.00 0.00 C ATOM 157 CG1 VAL A 11 9.438 0.478 3.072 1.00 0.00 C ATOM 158 CG2 VAL A 11 9.187 -1.651 4.362 1.00 0.00 C ATOM 0 H VAL A 11 10.507 -0.277 0.590 1.00 0.00 H new ATOM 0 HA VAL A 11 10.144 -2.787 2.121 1.00 0.00 H new ATOM 0 HB VAL A 11 10.982 -0.917 3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.531 0.993 4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.042 0.990 2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.394 0.480 2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.281 -1.055 5.270 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.133 -1.759 4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.622 -2.636 4.528 1.00 0.00 H new ATOM 168 N CYS A 12 7.637 -2.761 1.760 1.00 0.00 N ATOM 169 CA CYS A 12 6.279 -2.845 1.335 1.00 0.00 C ATOM 170 C CYS A 12 5.377 -2.829 2.544 1.00 0.00 C ATOM 171 O CYS A 12 5.740 -3.341 3.605 1.00 0.00 O ATOM 172 CB CYS A 12 6.025 -4.120 0.529 1.00 0.00 C ATOM 173 SG CYS A 12 6.971 -4.268 -1.023 1.00 0.00 S ATOM 0 H CYS A 12 7.934 -3.502 2.395 1.00 0.00 H new ATOM 0 HA CYS A 12 6.068 -1.989 0.694 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.256 -4.979 1.159 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.962 -4.174 0.293 1.00 0.00 H new ATOM 178 N ARG A 13 4.244 -2.230 2.414 1.00 0.00 N ATOM 179 CA ARG A 13 3.252 -2.220 3.454 1.00 0.00 C ATOM 180 C ARG A 13 1.891 -2.431 2.827 1.00 0.00 C ATOM 181 O ARG A 13 1.523 -1.728 1.888 1.00 0.00 O ATOM 182 CB ARG A 13 3.315 -0.909 4.233 1.00 0.00 C ATOM 183 CG ARG A 13 2.210 -0.712 5.257 1.00 0.00 C ATOM 184 CD ARG A 13 2.401 0.591 6.015 1.00 0.00 C ATOM 185 NE ARG A 13 2.697 1.710 5.098 1.00 0.00 N ATOM 186 CZ ARG A 13 1.947 2.793 4.894 1.00 0.00 C ATOM 187 NH1 ARG A 13 0.781 2.940 5.516 1.00 0.00 N ATOM 188 NH2 ARG A 13 2.371 3.721 4.052 1.00 0.00 N ATOM 0 H ARG A 13 3.968 -1.723 1.573 1.00 0.00 H new ATOM 0 HA ARG A 13 3.442 -3.026 4.163 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.276 -0.854 4.744 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.283 -0.082 3.524 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.241 -0.708 4.757 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.204 -1.547 5.957 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.501 0.816 6.587 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.215 0.481 6.731 1.00 0.00 H new ATOM 0 HE ARG A 13 3.565 1.648 4.566 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.451 2.219 6.158 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.217 3.773 5.351 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.261 3.603 3.569 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.808 4.555 3.886 1.00 0.00 H new ATOM 202 N CYS A 14 1.181 -3.411 3.293 1.00 0.00 N ATOM 203 CA CYS A 14 -0.108 -3.725 2.756 1.00 0.00 C ATOM 204 C CYS A 14 -1.190 -2.981 3.471 1.00 0.00 C ATOM 205 O CYS A 14 -1.319 -3.073 4.693 1.00 0.00 O ATOM 206 CB CYS A 14 -0.342 -5.221 2.728 1.00 0.00 C ATOM 207 SG CYS A 14 0.924 -6.121 1.747 1.00 0.00 S ATOM 0 H CYS A 14 1.479 -4.017 4.058 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.136 -3.389 1.720 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.343 -5.603 3.749 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.329 -5.422 2.311 1.00 0.00 H new ATOM 212 N VAL A 15 -1.938 -2.216 2.715 1.00 0.00 N ATOM 213 CA VAL A 15 -2.981 -1.383 3.266 1.00 0.00 C ATOM 214 C VAL A 15 -4.283 -1.652 2.524 1.00 0.00 C ATOM 215 O VAL A 15 -4.314 -1.690 1.285 1.00 0.00 O ATOM 216 CB VAL A 15 -2.634 0.145 3.160 1.00 0.00 C ATOM 217 CG1 VAL A 15 -3.696 1.008 3.838 1.00 0.00 C ATOM 218 CG2 VAL A 15 -1.261 0.452 3.747 1.00 0.00 C ATOM 0 H VAL A 15 -1.842 -2.152 1.702 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.080 -1.631 4.323 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.615 0.390 2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.424 2.059 3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.661 0.840 3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.762 0.742 4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.056 1.519 3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.243 0.168 4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.500 -0.111 3.207 1.00 0.00 H new HETATM 228 N ABA A 16 -5.331 -1.861 3.261 1.00 0.00 N HETATM 229 CA ABA A 16 -6.635 -2.082 2.700 1.00 0.00 C HETATM 230 C ABA A 16 -7.203 -0.747 2.286 1.00 0.00 C HETATM 231 O ABA A 16 -7.693 0.016 3.109 1.00 0.00 O HETATM 232 CB ABA A 16 -7.546 -2.768 3.719 1.00 0.00 C HETATM 233 CG ABA A 16 -7.020 -4.101 4.196 1.00 0.00 C HETATM 0 HG3 ABA A 16 -6.049 -3.960 4.670 1.00 0.00 H new HETATM 0 HG2 ABA A 16 -6.915 -4.776 3.346 1.00 0.00 H new HETATM 0 HG1 ABA A 16 -7.716 -4.530 4.916 1.00 0.00 H new HETATM 0 HB3 ABA A 16 -8.531 -2.913 3.275 1.00 0.00 H new HETATM 0 HB2 ABA A 16 -7.678 -2.110 4.578 1.00 0.00 H new HETATM 0 HA ABA A 16 -6.563 -2.737 1.832 1.00 0.00 H new ATOM 241 N ARG A 17 -7.112 -0.456 1.022 1.00 0.00 N ATOM 242 CA ARG A 17 -7.523 0.818 0.502 1.00 0.00 C ATOM 243 C ARG A 17 -9.007 0.789 0.224 1.00 0.00 C ATOM 244 O ARG A 17 -9.438 0.293 -0.838 1.00 0.00 O ATOM 245 CB ARG A 17 -6.765 1.157 -0.793 1.00 0.00 C ATOM 246 CG ARG A 17 -5.237 1.048 -0.717 1.00 0.00 C ATOM 247 CD ARG A 17 -4.625 1.888 0.395 1.00 0.00 C ATOM 248 NE ARG A 17 -5.025 3.291 0.330 1.00 0.00 N ATOM 249 CZ ARG A 17 -4.216 4.340 0.420 1.00 0.00 C ATOM 250 NH1 ARG A 17 -2.890 4.178 0.386 1.00 0.00 N ATOM 251 NH2 ARG A 17 -4.736 5.558 0.510 1.00 0.00 N ATOM 0 H ARG A 17 -6.749 -1.098 0.318 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.295 1.584 1.243 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.119 0.495 -1.583 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.024 2.174 -1.088 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.962 0.004 -0.567 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.810 1.356 -1.672 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.920 1.475 1.360 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.539 1.822 0.338 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.019 3.483 0.204 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.493 3.243 0.290 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.275 4.989 0.456 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.748 5.682 0.510 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.123 6.370 0.580 1.00 0.00 H new ATOM 265 N ARG A 18 -9.792 1.258 1.199 1.00 0.00 N ATOM 266 CA ARG A 18 -11.252 1.306 1.097 1.00 0.00 C ATOM 267 C ARG A 18 -11.789 -0.110 0.802 1.00 0.00 C ATOM 268 O ARG A 18 -12.653 -0.324 -0.047 1.00 0.00 O ATOM 269 CB ARG A 18 -11.650 2.323 0.013 1.00 0.00 C ATOM 270 CG ARG A 18 -13.139 2.597 -0.158 1.00 0.00 C ATOM 271 CD ARG A 18 -13.364 3.514 -1.342 1.00 0.00 C ATOM 272 NE ARG A 18 -14.782 3.724 -1.643 1.00 0.00 N ATOM 273 CZ ARG A 18 -15.266 4.002 -2.863 1.00 0.00 C ATOM 274 NH1 ARG A 18 -14.445 4.059 -3.911 1.00 0.00 N ATOM 275 NH2 ARG A 18 -16.562 4.213 -3.032 1.00 0.00 N ATOM 0 H ARG A 18 -9.431 1.616 2.083 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.696 1.635 2.036 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.154 3.268 0.235 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.257 1.973 -0.942 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.675 1.660 -0.306 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.540 3.053 0.747 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.894 4.477 -1.143 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.871 3.094 -2.219 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.447 3.654 -0.873 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.447 3.891 -3.786 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.815 4.270 -4.838 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -17.195 4.164 -2.234 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.927 4.424 -3.961 1.00 0.00 H new TER 289 ARG A 18