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=-0.00114 (180deg=-0.00114) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.305 -0.952 1.640 1.00 0.00 N ATOM 2 CA GLY A 1 -11.826 -2.256 1.420 1.00 0.00 C ATOM 3 C GLY A 1 -10.926 -3.119 0.577 1.00 0.00 C ATOM 4 O GLY A 1 -10.845 -4.332 0.797 1.00 0.00 O ATOM 0 H2 GLY A 1 -11.969 -0.407 2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.989 -2.742 2.382 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.799 -2.175 0.935 1.00 0.00 H new ATOM 8 N VAL A 2 -10.218 -2.529 -0.374 1.00 0.00 N ATOM 9 CA VAL A 2 -9.360 -3.343 -1.217 1.00 0.00 C ATOM 10 C VAL A 2 -7.917 -3.288 -0.732 1.00 0.00 C ATOM 11 O VAL A 2 -7.320 -2.218 -0.633 1.00 0.00 O ATOM 12 CB VAL A 2 -9.486 -3.015 -2.755 1.00 0.00 C ATOM 13 CG1 VAL A 2 -9.138 -1.571 -3.083 1.00 0.00 C ATOM 14 CG2 VAL A 2 -8.650 -3.976 -3.591 1.00 0.00 C ATOM 0 H VAL A 2 -10.218 -1.529 -0.576 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.713 -4.370 -1.120 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.536 -3.151 -3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.243 -1.406 -4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.811 -0.903 -2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.110 -1.368 -2.784 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.756 -3.726 -4.647 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -7.602 -3.893 -3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.993 -4.997 -3.423 1.00 0.00 H new HETATM 24 N ABA A 3 -7.380 -4.422 -0.387 1.00 0.00 N HETATM 25 CA ABA A 3 -6.032 -4.496 0.103 1.00 0.00 C HETATM 26 C ABA A 3 -5.082 -4.453 -1.064 1.00 0.00 C HETATM 27 O ABA A 3 -5.123 -5.312 -1.941 1.00 0.00 O HETATM 28 CB ABA A 3 -5.815 -5.773 0.927 1.00 0.00 C HETATM 29 CG ABA A 3 -4.426 -5.894 1.514 1.00 0.00 C HETATM 0 HG3 ABA A 3 -4.235 -5.048 2.174 1.00 0.00 H new HETATM 0 HG2 ABA A 3 -3.690 -5.900 0.710 1.00 0.00 H new HETATM 0 HG1 ABA A 3 -4.350 -6.821 2.082 1.00 0.00 H new HETATM 0 HB3 ABA A 3 -6.008 -6.639 0.294 1.00 0.00 H new HETATM 0 HB2 ABA A 3 -6.545 -5.800 1.736 1.00 0.00 H new HETATM 0 HA ABA A 3 -5.844 -3.646 0.759 1.00 0.00 H new ATOM 37 N ARG A 4 -4.274 -3.440 -1.104 1.00 0.00 N ATOM 38 CA ARG A 4 -3.288 -3.278 -2.136 1.00 0.00 C ATOM 39 C ARG A 4 -1.951 -3.189 -1.474 1.00 0.00 C ATOM 40 O ARG A 4 -1.820 -2.572 -0.410 1.00 0.00 O ATOM 41 CB ARG A 4 -3.547 -2.010 -2.978 1.00 0.00 C ATOM 42 CG ARG A 4 -4.841 -2.003 -3.818 1.00 0.00 C ATOM 43 CD ARG A 4 -4.828 -3.033 -4.962 1.00 0.00 C ATOM 44 NE ARG A 4 -4.857 -4.424 -4.487 1.00 0.00 N ATOM 45 CZ ARG A 4 -4.553 -5.505 -5.209 1.00 0.00 C ATOM 46 NH1 ARG A 4 -4.179 -5.393 -6.471 1.00 0.00 N ATOM 47 NH2 ARG A 4 -4.638 -6.701 -4.653 1.00 0.00 N ATOM 0 H ARG A 4 -4.278 -2.690 -0.413 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.333 -4.128 -2.817 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -3.570 -1.152 -2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -2.701 -1.867 -3.650 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.691 -2.205 -3.166 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.990 -1.007 -4.236 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.687 -2.859 -5.609 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.936 -2.881 -5.569 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.135 -4.577 -3.518 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.120 -4.472 -6.906 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.950 -6.227 -7.011 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.934 -6.792 -3.681 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.408 -7.533 -5.196 1.00 0.00 H new ATOM 61 N CYS A 5 -0.977 -3.815 -2.024 1.00 0.00 N ATOM 62 CA CYS A 5 0.305 -3.749 -1.427 1.00 0.00 C ATOM 63 C CYS A 5 1.177 -2.825 -2.221 1.00 0.00 C ATOM 64 O CYS A 5 1.269 -2.913 -3.451 1.00 0.00 O ATOM 65 CB CYS A 5 0.947 -5.110 -1.270 1.00 0.00 C ATOM 66 SG CYS A 5 -0.129 -6.372 -0.469 1.00 0.00 S ATOM 0 H CYS A 5 -1.040 -4.372 -2.876 1.00 0.00 H new ATOM 0 HA CYS A 5 0.185 -3.357 -0.417 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.243 -5.474 -2.254 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.859 -5.002 -0.683 1.00 0.00 H new ATOM 71 N VAL A 6 1.784 -1.943 -1.528 1.00 0.00 N ATOM 72 CA VAL A 6 2.598 -0.915 -2.116 1.00 0.00 C ATOM 73 C VAL A 6 4.014 -1.052 -1.609 1.00 0.00 C ATOM 74 O VAL A 6 4.237 -1.164 -0.409 1.00 0.00 O ATOM 75 CB VAL A 6 2.068 0.511 -1.739 1.00 0.00 C ATOM 76 CG1 VAL A 6 2.885 1.606 -2.419 1.00 0.00 C ATOM 77 CG2 VAL A 6 0.588 0.663 -2.075 1.00 0.00 C ATOM 0 H VAL A 6 1.738 -1.901 -0.510 1.00 0.00 H new ATOM 0 HA VAL A 6 2.562 -1.029 -3.199 1.00 0.00 H new ATOM 0 HB VAL A 6 2.183 0.621 -0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.491 2.582 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.926 1.530 -2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.822 1.489 -3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.253 1.663 -1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.440 0.511 -3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.011 -0.077 -1.521 1.00 0.00 H new ATOM 87 N CYS A 7 4.950 -1.101 -2.506 1.00 0.00 N ATOM 88 CA CYS A 7 6.335 -1.099 -2.137 1.00 0.00 C ATOM 89 C CYS A 7 6.903 0.249 -2.423 1.00 0.00 C ATOM 90 O CYS A 7 6.645 0.838 -3.481 1.00 0.00 O ATOM 91 CB CYS A 7 7.135 -2.173 -2.847 1.00 0.00 C ATOM 92 SG CYS A 7 6.656 -3.893 -2.436 1.00 0.00 S ATOM 0 H CYS A 7 4.778 -1.143 -3.511 1.00 0.00 H new ATOM 0 HA CYS A 7 6.402 -1.325 -1.073 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.032 -2.030 -3.923 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.190 -2.038 -2.607 1.00 0.00 H new ATOM 97 N ARG A 8 7.629 0.753 -1.488 1.00 0.00 N ATOM 98 CA ARG A 8 8.185 2.063 -1.601 1.00 0.00 C ATOM 99 C ARG A 8 9.490 2.146 -0.838 1.00 0.00 C ATOM 100 O ARG A 8 9.512 2.008 0.395 1.00 0.00 O ATOM 101 CB ARG A 8 7.188 3.103 -1.090 1.00 0.00 C ATOM 102 CG ARG A 8 7.589 4.532 -1.377 1.00 0.00 C ATOM 103 CD ARG A 8 6.523 5.498 -0.923 1.00 0.00 C ATOM 104 NE ARG A 8 6.798 6.854 -1.397 1.00 0.00 N ATOM 105 CZ ARG A 8 5.975 7.894 -1.281 1.00 0.00 C ATOM 106 NH1 ARG A 8 4.867 7.794 -0.556 1.00 0.00 N ATOM 107 NH2 ARG A 8 6.274 9.038 -1.882 1.00 0.00 N ATOM 0 H ARG A 8 7.857 0.270 -0.619 1.00 0.00 H new ATOM 0 HA ARG A 8 8.391 2.272 -2.651 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.215 2.912 -1.543 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.069 2.979 -0.014 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.528 4.758 -0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.765 4.656 -2.446 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.551 5.171 -1.293 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.467 5.495 0.166 1.00 0.00 H new ATOM 0 HE ARG A 8 7.695 7.016 -1.855 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.643 6.917 -0.085 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.240 8.594 -0.470 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.131 9.118 -2.430 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.647 9.838 -1.797 1.00 0.00 H new ATOM 121 N ARG A 9 10.562 2.313 -1.593 1.00 0.00 N ATOM 122 CA ARG A 9 11.929 2.486 -1.112 1.00 0.00 C ATOM 123 C ARG A 9 12.318 1.419 -0.078 1.00 0.00 C ATOM 124 O ARG A 9 12.702 1.724 1.056 1.00 0.00 O ATOM 125 CB ARG A 9 12.143 3.908 -0.576 1.00 0.00 C ATOM 126 CG ARG A 9 13.606 4.291 -0.338 1.00 0.00 C ATOM 127 CD ARG A 9 14.402 4.310 -1.636 1.00 0.00 C ATOM 128 NE ARG A 9 13.889 5.319 -2.584 1.00 0.00 N ATOM 129 CZ ARG A 9 14.243 5.412 -3.873 1.00 0.00 C ATOM 130 NH1 ARG A 9 15.044 4.512 -4.412 1.00 0.00 N ATOM 131 NH2 ARG A 9 13.773 6.400 -4.626 1.00 0.00 N ATOM 0 H ARG A 9 10.503 2.333 -2.611 1.00 0.00 H new ATOM 0 HA ARG A 9 12.597 2.347 -1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.707 4.616 -1.280 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.597 4.014 0.362 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.653 5.273 0.132 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.059 3.583 0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.449 4.518 -1.416 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.363 3.324 -2.100 1.00 0.00 H new ATOM 0 HE ARG A 9 13.214 5.997 -2.231 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.397 3.740 -3.847 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.310 4.589 -5.394 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.140 7.091 -4.223 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.045 6.467 -5.607 1.00 0.00 H new ATOM 145 N GLY A 10 12.159 0.176 -0.453 1.00 0.00 N ATOM 146 CA GLY A 10 12.555 -0.901 0.399 1.00 0.00 C ATOM 147 C GLY A 10 11.465 -1.348 1.354 1.00 0.00 C ATOM 148 O GLY A 10 11.577 -2.406 1.967 1.00 0.00 O ATOM 0 H GLY A 10 11.757 -0.110 -1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.858 -1.748 -0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.429 -0.596 0.975 1.00 0.00 H new ATOM 152 N VAL A 11 10.409 -0.578 1.481 1.00 0.00 N ATOM 153 CA VAL A 11 9.352 -0.929 2.400 1.00 0.00 C ATOM 154 C VAL A 11 8.168 -1.443 1.615 1.00 0.00 C ATOM 155 O VAL A 11 7.652 -0.751 0.760 1.00 0.00 O ATOM 156 CB VAL A 11 8.904 0.304 3.242 1.00 0.00 C ATOM 157 CG1 VAL A 11 7.782 -0.055 4.210 1.00 0.00 C ATOM 158 CG2 VAL A 11 10.083 0.907 3.993 1.00 0.00 C ATOM 0 H VAL A 11 10.260 0.289 0.964 1.00 0.00 H new ATOM 0 HA VAL A 11 9.726 -1.695 3.080 1.00 0.00 H new ATOM 0 HB VAL A 11 8.518 1.050 2.547 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.496 0.829 4.780 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.921 -0.420 3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.126 -0.831 4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.744 1.766 4.573 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.507 0.160 4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.843 1.227 3.280 1.00 0.00 H new ATOM 168 N CYS A 12 7.755 -2.640 1.884 1.00 0.00 N ATOM 169 CA CYS A 12 6.586 -3.162 1.239 1.00 0.00 C ATOM 170 C CYS A 12 5.470 -3.245 2.242 1.00 0.00 C ATOM 171 O CYS A 12 5.588 -3.913 3.274 1.00 0.00 O ATOM 172 CB CYS A 12 6.843 -4.508 0.548 1.00 0.00 C ATOM 173 SG CYS A 12 7.929 -4.401 -0.925 1.00 0.00 S ATOM 0 H CYS A 12 8.205 -3.275 2.543 1.00 0.00 H new ATOM 0 HA CYS A 12 6.298 -2.480 0.439 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.292 -5.193 1.267 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.887 -4.939 0.250 1.00 0.00 H new ATOM 178 N ARG A 13 4.406 -2.555 1.964 1.00 0.00 N ATOM 179 CA ARG A 13 3.311 -2.429 2.876 1.00 0.00 C ATOM 180 C ARG A 13 2.008 -2.855 2.235 1.00 0.00 C ATOM 181 O ARG A 13 1.603 -2.311 1.210 1.00 0.00 O ATOM 182 CB ARG A 13 3.220 -0.964 3.308 1.00 0.00 C ATOM 183 CG ARG A 13 2.027 -0.620 4.178 1.00 0.00 C ATOM 184 CD ARG A 13 2.045 0.846 4.556 1.00 0.00 C ATOM 185 NE ARG A 13 3.259 1.205 5.298 1.00 0.00 N ATOM 186 CZ ARG A 13 3.764 2.433 5.395 1.00 0.00 C ATOM 187 NH1 ARG A 13 3.170 3.451 4.787 1.00 0.00 N ATOM 188 NH2 ARG A 13 4.872 2.631 6.091 1.00 0.00 N ATOM 0 H ARG A 13 4.272 -2.056 1.084 1.00 0.00 H new ATOM 0 HA ARG A 13 3.482 -3.078 3.735 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.130 -0.704 3.848 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.190 -0.340 2.415 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.104 -0.852 3.647 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.039 -1.233 5.079 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.978 1.454 3.654 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.168 1.076 5.162 1.00 0.00 H new ATOM 0 HE ARG A 13 3.755 0.454 5.778 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.322 3.295 4.242 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.561 4.390 4.865 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.334 1.845 6.549 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.264 3.569 6.169 1.00 0.00 H new ATOM 202 N CYS A 14 1.370 -3.840 2.801 1.00 0.00 N ATOM 203 CA CYS A 14 0.045 -4.173 2.381 1.00 0.00 C ATOM 204 C CYS A 14 -0.919 -3.323 3.143 1.00 0.00 C ATOM 205 O CYS A 14 -0.917 -3.306 4.392 1.00 0.00 O ATOM 206 CB CYS A 14 -0.269 -5.658 2.496 1.00 0.00 C ATOM 207 SG CYS A 14 0.714 -6.705 1.353 1.00 0.00 S ATOM 0 H CYS A 14 1.746 -4.422 3.550 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.047 -3.963 1.315 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.086 -5.982 3.521 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.329 -5.813 2.297 1.00 0.00 H new ATOM 212 N VAL A 15 -1.679 -2.562 2.423 1.00 0.00 N ATOM 213 CA VAL A 15 -2.563 -1.613 3.042 1.00 0.00 C ATOM 214 C VAL A 15 -3.979 -1.683 2.461 1.00 0.00 C ATOM 215 O VAL A 15 -4.171 -1.904 1.258 1.00 0.00 O ATOM 216 CB VAL A 15 -1.970 -0.173 2.935 1.00 0.00 C ATOM 217 CG1 VAL A 15 -1.799 0.281 1.491 1.00 0.00 C ATOM 218 CG2 VAL A 15 -2.788 0.822 3.731 1.00 0.00 C ATOM 0 H VAL A 15 -1.709 -2.575 1.404 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.648 -1.873 4.097 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.972 -0.213 3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.383 1.289 1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.123 -0.400 0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.768 0.279 0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.348 1.814 3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.810 0.840 3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.796 0.529 4.781 1.00 0.00 H new HETATM 228 N ABA A 16 -4.959 -1.540 3.326 1.00 0.00 N HETATM 229 CA ABA A 16 -6.338 -1.541 2.923 1.00 0.00 C HETATM 230 C ABA A 16 -6.703 -0.176 2.369 1.00 0.00 C HETATM 231 O ABA A 16 -6.542 0.847 3.032 1.00 0.00 O HETATM 232 CB ABA A 16 -7.247 -1.901 4.101 1.00 0.00 C HETATM 233 CG ABA A 16 -8.720 -1.974 3.751 1.00 0.00 C HETATM 0 HG3 ABA A 16 -8.875 -2.734 2.985 1.00 0.00 H new HETATM 0 HG2 ABA A 16 -9.053 -1.007 3.375 1.00 0.00 H new HETATM 0 HG1 ABA A 16 -9.293 -2.234 4.641 1.00 0.00 H new HETATM 0 HB3 ABA A 16 -7.109 -1.162 4.891 1.00 0.00 H new HETATM 0 HB2 ABA A 16 -6.933 -2.863 4.506 1.00 0.00 H new HETATM 0 HA ABA A 16 -6.480 -2.294 2.148 1.00 0.00 H new ATOM 241 N ARG A 17 -7.132 -0.160 1.153 1.00 0.00 N ATOM 242 CA ARG A 17 -7.555 1.035 0.492 1.00 0.00 C ATOM 243 C ARG A 17 -9.069 0.958 0.320 1.00 0.00 C ATOM 244 O ARG A 17 -9.570 0.415 -0.677 1.00 0.00 O ATOM 245 CB ARG A 17 -6.852 1.155 -0.870 1.00 0.00 C ATOM 246 CG ARG A 17 -5.308 1.049 -0.837 1.00 0.00 C ATOM 247 CD ARG A 17 -4.595 2.267 -0.217 1.00 0.00 C ATOM 248 NE ARG A 17 -4.926 2.518 1.198 1.00 0.00 N ATOM 249 CZ ARG A 17 -4.324 3.437 1.970 1.00 0.00 C ATOM 250 NH1 ARG A 17 -3.259 4.112 1.524 1.00 0.00 N ATOM 251 NH2 ARG A 17 -4.772 3.651 3.198 1.00 0.00 N ATOM 0 H ARG A 17 -7.201 -0.997 0.574 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.294 1.917 1.077 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.238 0.376 -1.528 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.123 2.112 -1.316 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.030 0.157 -0.276 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.944 0.911 -1.855 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.518 2.124 -0.305 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.847 3.154 -0.798 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.664 1.954 1.620 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.896 3.931 0.588 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.810 4.808 2.120 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.568 3.120 3.550 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.321 4.347 3.791 1.00 0.00 H new ATOM 265 N ARG A 18 -9.771 1.384 1.360 1.00 0.00 N ATOM 266 CA ARG A 18 -11.240 1.446 1.420 1.00 0.00 C ATOM 267 C ARG A 18 -11.872 0.086 1.092 1.00 0.00 C ATOM 268 O ARG A 18 -12.833 -0.014 0.321 1.00 0.00 O ATOM 269 CB ARG A 18 -11.788 2.506 0.479 1.00 0.00 C ATOM 270 CG ARG A 18 -13.123 3.077 0.925 1.00 0.00 C ATOM 271 CD ARG A 18 -13.759 3.916 -0.152 1.00 0.00 C ATOM 272 NE ARG A 18 -14.403 3.087 -1.183 1.00 0.00 N ATOM 273 CZ ARG A 18 -14.779 3.527 -2.390 1.00 0.00 C ATOM 274 NH1 ARG A 18 -14.386 4.720 -2.823 1.00 0.00 N ATOM 275 NH2 ARG A 18 -15.511 2.748 -3.174 1.00 0.00 N ATOM 0 H ARG A 18 -9.327 1.709 2.219 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.504 1.716 2.442 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.064 3.317 0.396 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.900 2.075 -0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.795 2.262 1.196 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.979 3.682 1.820 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.499 4.580 0.294 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.001 4.548 -0.615 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.575 2.106 -0.962 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.794 5.307 -2.235 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.676 5.049 -3.744 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.785 1.818 -2.857 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.800 3.078 -4.095 1.00 0.00 H new TER 289 ARG A 18