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= -0.28 (180deg=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.241 -0.542 1.445 1.00 0.00 N ATOM 2 CA GLY A 1 -11.573 -1.931 1.648 1.00 0.00 C ATOM 3 C GLY A 1 -10.770 -2.860 0.753 1.00 0.00 C ATOM 4 O GLY A 1 -10.820 -4.086 0.896 1.00 0.00 O ATOM 0 H2 GLY A 1 -11.816 0.049 2.079 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.396 -2.194 2.691 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.636 -2.078 1.458 1.00 0.00 H new ATOM 8 N VAL A 2 -10.016 -2.280 -0.147 1.00 0.00 N ATOM 9 CA VAL A 2 -9.246 -3.024 -1.100 1.00 0.00 C ATOM 10 C VAL A 2 -7.854 -3.259 -0.549 1.00 0.00 C ATOM 11 O VAL A 2 -7.128 -2.306 -0.236 1.00 0.00 O ATOM 12 CB VAL A 2 -9.142 -2.262 -2.453 1.00 0.00 C ATOM 13 CG1 VAL A 2 -8.397 -3.085 -3.491 1.00 0.00 C ATOM 14 CG2 VAL A 2 -10.521 -1.862 -2.971 1.00 0.00 C ATOM 0 H VAL A 2 -9.922 -1.268 -0.236 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.746 -3.976 -1.277 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.573 -1.350 -2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.340 -2.527 -4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.389 -3.297 -3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.926 -4.023 -3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.414 -1.332 -3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.126 -2.756 -3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.008 -1.212 -2.244 1.00 0.00 H new HETATM 24 N ABA A 3 -7.499 -4.506 -0.397 1.00 0.00 N HETATM 25 CA ABA A 3 -6.183 -4.853 0.075 1.00 0.00 C HETATM 26 C ABA A 3 -5.208 -4.794 -1.088 1.00 0.00 C HETATM 27 O ABA A 3 -5.264 -5.617 -2.012 1.00 0.00 O HETATM 28 CB ABA A 3 -6.179 -6.245 0.719 1.00 0.00 C HETATM 29 CG ABA A 3 -4.840 -6.647 1.303 1.00 0.00 C HETATM 0 HG3 ABA A 3 -4.551 -5.934 2.075 1.00 0.00 H new HETATM 0 HG2 ABA A 3 -4.087 -6.654 0.515 1.00 0.00 H new HETATM 0 HG1 ABA A 3 -4.918 -7.643 1.740 1.00 0.00 H new HETATM 0 HB3 ABA A 3 -6.474 -6.981 -0.029 1.00 0.00 H new HETATM 0 HB2 ABA A 3 -6.931 -6.272 1.507 1.00 0.00 H new HETATM 0 HA ABA A 3 -5.877 -4.140 0.840 1.00 0.00 H new ATOM 37 N ARG A 4 -4.367 -3.813 -1.072 1.00 0.00 N ATOM 38 CA ARG A 4 -3.383 -3.625 -2.098 1.00 0.00 C ATOM 39 C ARG A 4 -2.027 -3.480 -1.451 1.00 0.00 C ATOM 40 O ARG A 4 -1.886 -2.774 -0.463 1.00 0.00 O ATOM 41 CB ARG A 4 -3.721 -2.368 -2.922 1.00 0.00 C ATOM 42 CG ARG A 4 -2.687 -2.002 -3.979 1.00 0.00 C ATOM 43 CD ARG A 4 -2.543 -3.073 -5.047 1.00 0.00 C ATOM 44 NE ARG A 4 -1.473 -2.739 -5.978 1.00 0.00 N ATOM 45 CZ ARG A 4 -1.345 -3.205 -7.223 1.00 0.00 C ATOM 46 NH1 ARG A 4 -2.201 -4.100 -7.700 1.00 0.00 N ATOM 47 NH2 ARG A 4 -0.347 -2.773 -7.983 1.00 0.00 N ATOM 0 H ARG A 4 -4.340 -3.106 -0.337 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.375 -4.484 -2.768 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.683 -2.519 -3.412 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.839 -1.525 -2.241 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.970 -1.060 -4.449 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -1.722 -1.841 -3.498 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.335 -4.035 -4.578 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.482 -3.180 -5.590 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.757 -2.091 -5.649 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.965 -4.438 -7.114 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -2.095 -4.450 -8.652 1.00 0.00 H new ATOM 0 HH21 ARG A 4 0.315 -2.090 -7.615 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -0.242 -3.124 -8.935 1.00 0.00 H new ATOM 61 N CYS A 5 -1.058 -4.161 -1.955 1.00 0.00 N ATOM 62 CA CYS A 5 0.259 -4.018 -1.428 1.00 0.00 C ATOM 63 C CYS A 5 1.061 -3.136 -2.338 1.00 0.00 C ATOM 64 O CYS A 5 0.869 -3.142 -3.558 1.00 0.00 O ATOM 65 CB CYS A 5 0.944 -5.360 -1.197 1.00 0.00 C ATOM 66 SG CYS A 5 -0.017 -6.543 -0.164 1.00 0.00 S ATOM 0 H CYS A 5 -1.149 -4.820 -2.728 1.00 0.00 H new ATOM 0 HA CYS A 5 0.187 -3.551 -0.446 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.145 -5.822 -2.164 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.909 -5.184 -0.722 1.00 0.00 H new ATOM 71 N VAL A 6 1.903 -2.351 -1.750 1.00 0.00 N ATOM 72 CA VAL A 6 2.718 -1.422 -2.473 1.00 0.00 C ATOM 73 C VAL A 6 4.073 -1.320 -1.777 1.00 0.00 C ATOM 74 O VAL A 6 4.170 -1.544 -0.557 1.00 0.00 O ATOM 75 CB VAL A 6 2.013 -0.024 -2.541 1.00 0.00 C ATOM 76 CG1 VAL A 6 1.830 0.597 -1.159 1.00 0.00 C ATOM 77 CG2 VAL A 6 2.727 0.931 -3.487 1.00 0.00 C ATOM 0 H VAL A 6 2.049 -2.334 -0.741 1.00 0.00 H new ATOM 0 HA VAL A 6 2.865 -1.768 -3.496 1.00 0.00 H new ATOM 0 HB VAL A 6 1.018 -0.201 -2.949 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.337 1.564 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.218 -0.061 -0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.804 0.732 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.204 1.887 -3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.751 1.083 -3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.739 0.507 -4.491 1.00 0.00 H new ATOM 87 N CYS A 7 5.104 -1.044 -2.521 1.00 0.00 N ATOM 88 CA CYS A 7 6.405 -0.912 -1.944 1.00 0.00 C ATOM 89 C CYS A 7 6.906 0.503 -2.110 1.00 0.00 C ATOM 90 O CYS A 7 6.711 1.138 -3.152 1.00 0.00 O ATOM 91 CB CYS A 7 7.378 -1.937 -2.516 1.00 0.00 C ATOM 92 SG CYS A 7 6.826 -3.686 -2.347 1.00 0.00 S ATOM 0 H CYS A 7 5.066 -0.906 -3.531 1.00 0.00 H new ATOM 0 HA CYS A 7 6.333 -1.119 -0.876 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.537 -1.719 -3.572 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.341 -1.823 -2.019 1.00 0.00 H new ATOM 97 N ARG A 8 7.484 1.003 -1.070 1.00 0.00 N ATOM 98 CA ARG A 8 8.015 2.336 -1.022 1.00 0.00 C ATOM 99 C ARG A 8 9.382 2.289 -0.382 1.00 0.00 C ATOM 100 O ARG A 8 9.506 1.822 0.749 1.00 0.00 O ATOM 101 CB ARG A 8 7.094 3.230 -0.180 1.00 0.00 C ATOM 102 CG ARG A 8 7.588 4.666 0.004 1.00 0.00 C ATOM 103 CD ARG A 8 6.690 5.429 0.959 1.00 0.00 C ATOM 104 NE ARG A 8 7.143 6.811 1.184 1.00 0.00 N ATOM 105 CZ ARG A 8 6.393 7.772 1.746 1.00 0.00 C ATOM 106 NH1 ARG A 8 5.169 7.495 2.173 1.00 0.00 N ATOM 107 NH2 ARG A 8 6.881 9.005 1.909 1.00 0.00 N ATOM 0 H ARG A 8 7.607 0.485 -0.200 1.00 0.00 H new ATOM 0 HA ARG A 8 8.084 2.742 -2.031 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.110 3.256 -0.647 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.968 2.775 0.803 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.609 4.658 0.387 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.613 5.173 -0.961 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.675 5.444 0.563 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.652 4.904 1.913 1.00 0.00 H new ATOM 0 HE ARG A 8 8.090 7.055 0.894 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.796 6.551 2.075 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.600 8.226 2.600 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.830 9.222 1.605 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.304 9.729 2.337 1.00 0.00 H new ATOM 121 N ARG A 9 10.408 2.682 -1.133 1.00 0.00 N ATOM 122 CA ARG A 9 11.790 2.800 -0.624 1.00 0.00 C ATOM 123 C ARG A 9 12.378 1.408 -0.259 1.00 0.00 C ATOM 124 O ARG A 9 13.371 1.291 0.463 1.00 0.00 O ATOM 125 CB ARG A 9 11.802 3.744 0.589 1.00 0.00 C ATOM 126 CG ARG A 9 13.161 4.227 1.062 1.00 0.00 C ATOM 127 CD ARG A 9 13.032 4.953 2.386 1.00 0.00 C ATOM 128 NE ARG A 9 12.615 4.031 3.454 1.00 0.00 N ATOM 129 CZ ARG A 9 11.519 4.146 4.222 1.00 0.00 C ATOM 130 NH1 ARG A 9 10.591 5.077 3.962 1.00 0.00 N ATOM 131 NH2 ARG A 9 11.338 3.294 5.219 1.00 0.00 N ATOM 0 H ARG A 9 10.313 2.931 -2.118 1.00 0.00 H new ATOM 0 HA ARG A 9 12.423 3.216 -1.407 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.196 4.617 0.347 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.313 3.236 1.420 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.838 3.380 1.169 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.598 4.892 0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.986 5.411 2.648 1.00 0.00 H new ATOM 0 HD3 ARG A 9 12.305 5.760 2.293 1.00 0.00 H new ATOM 0 HE ARG A 9 13.217 3.226 3.628 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.712 5.711 3.172 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.764 5.152 4.554 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.026 2.562 5.396 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.510 3.369 5.810 1.00 0.00 H new ATOM 145 N GLY A 10 11.782 0.372 -0.792 1.00 0.00 N ATOM 146 CA GLY A 10 12.200 -0.968 -0.500 1.00 0.00 C ATOM 147 C GLY A 10 11.492 -1.525 0.722 1.00 0.00 C ATOM 148 O GLY A 10 11.887 -2.561 1.274 1.00 0.00 O ATOM 0 H GLY A 10 10.996 0.437 -1.438 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.999 -1.607 -1.360 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.277 -0.985 -0.335 1.00 0.00 H new ATOM 152 N VAL A 11 10.494 -0.816 1.178 1.00 0.00 N ATOM 153 CA VAL A 11 9.668 -1.250 2.277 1.00 0.00 C ATOM 154 C VAL A 11 8.303 -1.550 1.709 1.00 0.00 C ATOM 155 O VAL A 11 7.702 -0.700 1.070 1.00 0.00 O ATOM 156 CB VAL A 11 9.545 -0.152 3.372 1.00 0.00 C ATOM 157 CG1 VAL A 11 8.709 -0.639 4.553 1.00 0.00 C ATOM 158 CG2 VAL A 11 10.914 0.301 3.839 1.00 0.00 C ATOM 0 H VAL A 11 10.227 0.090 0.793 1.00 0.00 H new ATOM 0 HA VAL A 11 10.114 -2.126 2.748 1.00 0.00 H new ATOM 0 HB VAL A 11 9.034 0.702 2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.642 0.151 5.301 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.708 -0.898 4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.180 -1.518 4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.802 1.069 4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.456 -0.549 4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.470 0.709 2.995 1.00 0.00 H new ATOM 168 N CYS A 12 7.830 -2.723 1.905 1.00 0.00 N ATOM 169 CA CYS A 12 6.584 -3.102 1.337 1.00 0.00 C ATOM 170 C CYS A 12 5.508 -3.088 2.387 1.00 0.00 C ATOM 171 O CYS A 12 5.678 -3.623 3.488 1.00 0.00 O ATOM 172 CB CYS A 12 6.687 -4.443 0.614 1.00 0.00 C ATOM 173 SG CYS A 12 7.887 -4.434 -0.772 1.00 0.00 S ATOM 0 H CYS A 12 8.288 -3.446 2.459 1.00 0.00 H new ATOM 0 HA CYS A 12 6.306 -2.371 0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.977 -5.212 1.330 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.704 -4.717 0.232 1.00 0.00 H new ATOM 178 N ARG A 13 4.435 -2.440 2.071 1.00 0.00 N ATOM 179 CA ARG A 13 3.333 -2.270 2.969 1.00 0.00 C ATOM 180 C ARG A 13 2.059 -2.692 2.289 1.00 0.00 C ATOM 181 O ARG A 13 1.764 -2.263 1.168 1.00 0.00 O ATOM 182 CB ARG A 13 3.266 -0.790 3.416 1.00 0.00 C ATOM 183 CG ARG A 13 1.994 -0.355 4.185 1.00 0.00 C ATOM 184 CD ARG A 13 1.776 -1.114 5.493 1.00 0.00 C ATOM 185 NE ARG A 13 0.577 -0.625 6.216 1.00 0.00 N ATOM 186 CZ ARG A 13 -0.152 -1.332 7.099 1.00 0.00 C ATOM 187 NH1 ARG A 13 0.092 -2.619 7.291 1.00 0.00 N ATOM 188 NH2 ARG A 13 -1.157 -0.751 7.747 1.00 0.00 N ATOM 0 H ARG A 13 4.294 -2.003 1.160 1.00 0.00 H new ATOM 0 HA ARG A 13 3.468 -2.893 3.853 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.132 -0.585 4.046 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.360 -0.162 2.530 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.058 0.712 4.401 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.125 -0.499 3.543 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.666 -2.178 5.283 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.655 -1.004 6.129 1.00 0.00 H new ATOM 0 HE ARG A 13 0.278 0.332 6.027 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.836 -3.081 6.768 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.464 -3.149 7.962 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.375 0.230 7.575 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.710 -1.287 8.416 1.00 0.00 H new ATOM 202 N CYS A 14 1.348 -3.569 2.917 1.00 0.00 N ATOM 203 CA CYS A 14 0.072 -3.938 2.433 1.00 0.00 C ATOM 204 C CYS A 14 -0.949 -3.058 3.048 1.00 0.00 C ATOM 205 O CYS A 14 -1.050 -2.962 4.264 1.00 0.00 O ATOM 206 CB CYS A 14 -0.225 -5.401 2.640 1.00 0.00 C ATOM 207 SG CYS A 14 0.865 -6.499 1.672 1.00 0.00 S ATOM 0 H CYS A 14 1.637 -4.043 3.773 1.00 0.00 H new ATOM 0 HA CYS A 14 0.052 -3.798 1.352 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.123 -5.640 3.699 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.262 -5.597 2.368 1.00 0.00 H new ATOM 212 N VAL A 15 -1.661 -2.376 2.229 1.00 0.00 N ATOM 213 CA VAL A 15 -2.599 -1.412 2.700 1.00 0.00 C ATOM 214 C VAL A 15 -4.012 -1.713 2.221 1.00 0.00 C ATOM 215 O VAL A 15 -4.274 -1.856 1.018 1.00 0.00 O ATOM 216 CB VAL A 15 -2.156 0.053 2.332 1.00 0.00 C ATOM 217 CG1 VAL A 15 -1.923 0.233 0.835 1.00 0.00 C ATOM 218 CG2 VAL A 15 -3.159 1.071 2.831 1.00 0.00 C ATOM 0 H VAL A 15 -1.614 -2.466 1.214 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.613 -1.482 3.788 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.204 0.222 2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.619 1.261 0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.139 -0.448 0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.844 0.015 0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.825 2.073 2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.131 0.878 2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.245 0.996 3.915 1.00 0.00 H new HETATM 228 N ABA A 16 -4.909 -1.870 3.159 1.00 0.00 N HETATM 229 CA ABA A 16 -6.289 -2.023 2.836 1.00 0.00 C HETATM 230 C ABA A 16 -6.926 -0.646 2.789 1.00 0.00 C HETATM 231 O ABA A 16 -7.234 -0.029 3.815 1.00 0.00 O HETATM 232 CB ABA A 16 -7.029 -3.022 3.773 1.00 0.00 C HETATM 233 CG ABA A 16 -6.909 -2.747 5.261 1.00 0.00 C HETATM 0 HG3 ABA A 16 -7.319 -1.762 5.483 1.00 0.00 H new HETATM 0 HG2 ABA A 16 -5.859 -2.777 5.553 1.00 0.00 H new HETATM 0 HG1 ABA A 16 -7.462 -3.504 5.817 1.00 0.00 H new HETATM 0 HB3 ABA A 16 -6.649 -4.024 3.576 1.00 0.00 H new HETATM 0 HB2 ABA A 16 -8.086 -3.024 3.508 1.00 0.00 H new HETATM 0 HA ABA A 16 -6.379 -2.483 1.852 1.00 0.00 H new ATOM 241 N ARG A 17 -7.051 -0.147 1.605 1.00 0.00 N ATOM 242 CA ARG A 17 -7.562 1.170 1.370 1.00 0.00 C ATOM 243 C ARG A 17 -8.819 1.043 0.554 1.00 0.00 C ATOM 244 O ARG A 17 -8.840 0.305 -0.430 1.00 0.00 O ATOM 245 CB ARG A 17 -6.485 2.036 0.676 1.00 0.00 C ATOM 246 CG ARG A 17 -5.997 1.518 -0.681 1.00 0.00 C ATOM 247 CD ARG A 17 -4.722 2.230 -1.125 1.00 0.00 C ATOM 248 NE ARG A 17 -4.854 3.693 -1.139 1.00 0.00 N ATOM 249 CZ ARG A 17 -3.833 4.552 -1.311 1.00 0.00 C ATOM 250 NH1 ARG A 17 -2.618 4.104 -1.655 1.00 0.00 N ATOM 251 NH2 ARG A 17 -4.036 5.852 -1.175 1.00 0.00 N ATOM 0 H ARG A 17 -6.797 -0.649 0.754 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.808 1.672 2.306 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.884 3.041 0.540 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -5.627 2.121 1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.813 0.446 -0.618 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.776 1.664 -1.429 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.906 1.951 -0.458 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.450 1.886 -2.123 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.786 4.086 -1.009 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.462 3.105 -1.788 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.849 4.762 -1.783 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.965 6.201 -0.940 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.263 6.505 -1.305 1.00 0.00 H new ATOM 265 N ARG A 18 -9.896 1.684 1.016 1.00 0.00 N ATOM 266 CA ARG A 18 -11.221 1.611 0.367 1.00 0.00 C ATOM 267 C ARG A 18 -11.755 0.166 0.459 1.00 0.00 C ATOM 268 O ARG A 18 -12.588 -0.290 -0.328 1.00 0.00 O ATOM 269 CB ARG A 18 -11.114 2.094 -1.085 1.00 0.00 C ATOM 270 CG ARG A 18 -12.413 2.285 -1.850 1.00 0.00 C ATOM 271 CD ARG A 18 -12.111 2.627 -3.299 1.00 0.00 C ATOM 272 NE ARG A 18 -11.231 3.806 -3.410 1.00 0.00 N ATOM 273 CZ ARG A 18 -10.191 3.923 -4.273 1.00 0.00 C ATOM 274 NH1 ARG A 18 -9.929 2.950 -5.150 1.00 0.00 N ATOM 275 NH2 ARG A 18 -9.427 5.012 -4.256 1.00 0.00 N ATOM 0 H ARG A 18 -9.881 2.270 1.851 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.929 2.264 0.878 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.578 3.043 -1.087 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.500 1.380 -1.634 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.013 1.376 -1.799 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.001 3.081 -1.394 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.638 1.773 -3.783 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.044 2.818 -3.830 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.419 4.594 -2.790 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.512 2.114 -5.173 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.146 3.044 -5.797 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.623 5.762 -3.593 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.646 5.097 -4.906 1.00 0.00 H new TER 289 ARG A 18