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= -0.06 (180deg=-0.06) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.238 -2.676 -0.123 1.00 0.00 N ATOM 2 CA GLY A 1 -12.211 -3.723 -1.129 1.00 0.00 C ATOM 3 C GLY A 1 -11.114 -3.545 -2.163 1.00 0.00 C ATOM 4 O GLY A 1 -10.876 -4.437 -2.991 1.00 0.00 O ATOM 0 H2 GLY A 1 -13.010 -2.860 0.549 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.081 -4.686 -0.635 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.175 -3.753 -1.636 1.00 0.00 H new ATOM 8 N VAL A 2 -10.461 -2.404 -2.155 1.00 0.00 N ATOM 9 CA VAL A 2 -9.384 -2.158 -3.091 1.00 0.00 C ATOM 10 C VAL A 2 -8.071 -2.052 -2.343 1.00 0.00 C ATOM 11 O VAL A 2 -7.889 -1.146 -1.551 1.00 0.00 O ATOM 12 CB VAL A 2 -9.601 -0.839 -3.880 1.00 0.00 C ATOM 13 CG1 VAL A 2 -8.519 -0.658 -4.933 1.00 0.00 C ATOM 14 CG2 VAL A 2 -10.979 -0.791 -4.513 1.00 0.00 C ATOM 0 H VAL A 2 -10.655 -1.634 -1.514 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.365 -2.991 -3.793 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.534 -0.014 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.690 0.272 -5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.543 -0.622 -4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.547 -1.494 -5.631 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -11.097 0.146 -5.057 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.092 -1.628 -5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.739 -0.857 -3.735 1.00 0.00 H new ATOM 24 N CYS A 3 -7.185 -2.984 -2.550 1.00 0.00 N ATOM 25 CA CYS A 3 -5.880 -2.898 -1.934 1.00 0.00 C ATOM 26 C CYS A 3 -4.830 -2.530 -2.962 1.00 0.00 C ATOM 27 O CYS A 3 -4.692 -3.197 -3.994 1.00 0.00 O ATOM 28 CB CYS A 3 -5.491 -4.184 -1.211 1.00 0.00 C ATOM 29 SG CYS A 3 -6.531 -4.594 0.229 1.00 0.00 S ATOM 0 H CYS A 3 -7.334 -3.807 -3.134 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.934 -2.111 -1.181 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.534 -5.011 -1.920 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.455 -4.100 -0.882 1.00 0.00 H new ATOM 34 N ARG A 4 -4.140 -1.459 -2.707 1.00 0.00 N ATOM 35 CA ARG A 4 -3.069 -0.991 -3.553 1.00 0.00 C ATOM 36 C ARG A 4 -1.756 -1.146 -2.801 1.00 0.00 C ATOM 37 O ARG A 4 -1.593 -0.598 -1.717 1.00 0.00 O ATOM 38 CB ARG A 4 -3.318 0.469 -3.953 1.00 0.00 C ATOM 39 CG ARG A 4 -2.196 1.104 -4.757 1.00 0.00 C ATOM 40 CD ARG A 4 -2.579 2.488 -5.253 1.00 0.00 C ATOM 41 NE ARG A 4 -3.665 2.446 -6.250 1.00 0.00 N ATOM 42 CZ ARG A 4 -4.195 3.520 -6.860 1.00 0.00 C ATOM 43 NH1 ARG A 4 -3.772 4.736 -6.567 1.00 0.00 N ATOM 44 NH2 ARG A 4 -5.142 3.364 -7.766 1.00 0.00 N ATOM 0 H ARG A 4 -4.304 -0.870 -1.890 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.023 -1.579 -4.470 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.238 0.521 -4.534 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.478 1.057 -3.050 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -1.300 1.173 -4.141 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -1.951 0.467 -5.607 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.889 3.101 -4.407 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.705 2.969 -5.692 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.043 1.531 -6.496 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.037 4.867 -5.872 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.181 5.545 -7.035 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -5.472 2.428 -8.003 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.544 4.179 -8.229 1.00 0.00 H new ATOM 58 N CYS A 5 -0.844 -1.900 -3.345 1.00 0.00 N ATOM 59 CA CYS A 5 0.402 -2.160 -2.663 1.00 0.00 C ATOM 60 C CYS A 5 1.557 -1.417 -3.301 1.00 0.00 C ATOM 61 O CYS A 5 1.634 -1.273 -4.539 1.00 0.00 O ATOM 62 CB CYS A 5 0.688 -3.654 -2.608 1.00 0.00 C ATOM 63 SG CYS A 5 -0.649 -4.661 -1.854 1.00 0.00 S ATOM 0 H CYS A 5 -0.935 -2.347 -4.257 1.00 0.00 H new ATOM 0 HA CYS A 5 0.298 -1.790 -1.643 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.868 -4.014 -3.621 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.607 -3.814 -2.045 1.00 0.00 H new ATOM 68 N VAL A 6 2.435 -0.939 -2.464 1.00 0.00 N ATOM 69 CA VAL A 6 3.608 -0.218 -2.879 1.00 0.00 C ATOM 70 C VAL A 6 4.811 -0.748 -2.112 1.00 0.00 C ATOM 71 O VAL A 6 4.714 -1.031 -0.912 1.00 0.00 O ATOM 72 CB VAL A 6 3.439 1.333 -2.690 1.00 0.00 C ATOM 73 CG1 VAL A 6 3.150 1.709 -1.236 1.00 0.00 C ATOM 74 CG2 VAL A 6 4.652 2.098 -3.223 1.00 0.00 C ATOM 0 H VAL A 6 2.354 -1.041 -1.452 1.00 0.00 H new ATOM 0 HA VAL A 6 3.763 -0.378 -3.946 1.00 0.00 H new ATOM 0 HB VAL A 6 2.570 1.627 -3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.041 2.790 -1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.228 1.226 -0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.974 1.379 -0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.501 3.167 -3.076 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.547 1.781 -2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.774 1.892 -4.286 1.00 0.00 H new ATOM 84 N CYS A 7 5.903 -0.937 -2.793 1.00 0.00 N ATOM 85 CA CYS A 7 7.081 -1.451 -2.165 1.00 0.00 C ATOM 86 C CYS A 7 8.162 -0.412 -2.135 1.00 0.00 C ATOM 87 O CYS A 7 8.407 0.284 -3.130 1.00 0.00 O ATOM 88 CB CYS A 7 7.577 -2.718 -2.852 1.00 0.00 C ATOM 89 SG CYS A 7 6.355 -4.080 -2.923 1.00 0.00 S ATOM 0 H CYS A 7 6.001 -0.741 -3.789 1.00 0.00 H new ATOM 0 HA CYS A 7 6.818 -1.711 -1.140 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.881 -2.468 -3.868 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.466 -3.073 -2.331 1.00 0.00 H new ATOM 94 N ARG A 8 8.774 -0.282 -0.998 1.00 0.00 N ATOM 95 CA ARG A 8 9.866 0.629 -0.812 1.00 0.00 C ATOM 96 C ARG A 8 10.915 -0.024 0.056 1.00 0.00 C ATOM 97 O ARG A 8 10.602 -0.507 1.138 1.00 0.00 O ATOM 98 CB ARG A 8 9.404 1.936 -0.168 1.00 0.00 C ATOM 99 CG ARG A 8 10.510 2.976 -0.081 1.00 0.00 C ATOM 100 CD ARG A 8 10.045 4.254 0.580 1.00 0.00 C ATOM 101 NE ARG A 8 9.795 4.099 2.022 1.00 0.00 N ATOM 102 CZ ARG A 8 9.530 5.116 2.851 1.00 0.00 C ATOM 103 NH1 ARG A 8 9.251 6.324 2.360 1.00 0.00 N ATOM 104 NH2 ARG A 8 9.491 4.915 4.163 1.00 0.00 N ATOM 0 H ARG A 8 8.528 -0.811 -0.162 1.00 0.00 H new ATOM 0 HA ARG A 8 10.283 0.869 -1.790 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.573 2.344 -0.743 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.028 1.728 0.834 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.350 2.564 0.479 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.875 3.200 -1.083 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.797 5.029 0.429 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.132 4.596 0.093 1.00 0.00 H new ATOM 0 HE ARG A 8 9.826 3.158 2.414 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.239 6.474 1.351 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.049 7.098 2.993 1.00 0.00 H new ATOM 0 HH21 ARG A 8 9.663 3.984 4.542 1.00 0.00 H new ATOM 0 HH22 ARG A 8 9.289 5.692 4.792 1.00 0.00 H new ATOM 118 N ARG A 9 12.142 -0.102 -0.459 1.00 0.00 N ATOM 119 CA ARG A 9 13.304 -0.639 0.276 1.00 0.00 C ATOM 120 C ARG A 9 13.073 -2.133 0.643 1.00 0.00 C ATOM 121 O ARG A 9 13.624 -2.668 1.620 1.00 0.00 O ATOM 122 CB ARG A 9 13.574 0.248 1.535 1.00 0.00 C ATOM 123 CG ARG A 9 14.836 -0.068 2.347 1.00 0.00 C ATOM 124 CD ARG A 9 16.095 0.140 1.530 1.00 0.00 C ATOM 125 NE ARG A 9 17.316 -0.077 2.317 1.00 0.00 N ATOM 126 CZ ARG A 9 18.515 0.431 2.007 1.00 0.00 C ATOM 127 NH1 ARG A 9 18.676 1.120 0.886 1.00 0.00 N ATOM 128 NH2 ARG A 9 19.561 0.222 2.799 1.00 0.00 N ATOM 0 H ARG A 9 12.367 0.206 -1.405 1.00 0.00 H new ATOM 0 HA ARG A 9 14.192 -0.605 -0.356 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.629 1.288 1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.714 0.166 2.199 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.868 0.567 3.232 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.795 -1.100 2.696 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.089 -0.541 0.679 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.101 1.153 1.128 1.00 0.00 H new ATOM 0 HE ARG A 9 17.246 -0.653 3.156 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.885 1.264 0.258 1.00 0.00 H new ATOM 0 HH12 ARG A 9 19.590 1.506 0.652 1.00 0.00 H new ATOM 0 HH21 ARG A 9 19.454 -0.329 3.651 1.00 0.00 H new ATOM 0 HH22 ARG A 9 20.471 0.613 2.555 1.00 0.00 H new ATOM 142 N GLY A 10 12.284 -2.806 -0.168 1.00 0.00 N ATOM 143 CA GLY A 10 11.984 -4.204 0.064 1.00 0.00 C ATOM 144 C GLY A 10 10.784 -4.395 0.978 1.00 0.00 C ATOM 145 O GLY A 10 10.312 -5.519 1.185 1.00 0.00 O ATOM 0 H GLY A 10 11.838 -2.408 -0.994 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.792 -4.695 -0.890 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.854 -4.691 0.504 1.00 0.00 H new ATOM 149 N VAL A 11 10.295 -3.316 1.541 1.00 0.00 N ATOM 150 CA VAL A 11 9.148 -3.364 2.422 1.00 0.00 C ATOM 151 C VAL A 11 7.914 -3.025 1.610 1.00 0.00 C ATOM 152 O VAL A 11 7.854 -1.971 0.980 1.00 0.00 O ATOM 153 CB VAL A 11 9.277 -2.352 3.599 1.00 0.00 C ATOM 154 CG1 VAL A 11 8.106 -2.483 4.565 1.00 0.00 C ATOM 155 CG2 VAL A 11 10.597 -2.528 4.333 1.00 0.00 C ATOM 0 H VAL A 11 10.678 -2.381 1.403 1.00 0.00 H new ATOM 0 HA VAL A 11 9.080 -4.364 2.851 1.00 0.00 H new ATOM 0 HB VAL A 11 9.257 -1.349 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.222 -1.765 5.377 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.174 -2.285 4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.083 -3.493 4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.658 -1.808 5.149 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.657 -3.539 4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.423 -2.363 3.641 1.00 0.00 H new ATOM 165 N CYS A 12 6.959 -3.893 1.594 1.00 0.00 N ATOM 166 CA CYS A 12 5.777 -3.649 0.820 1.00 0.00 C ATOM 167 C CYS A 12 4.610 -3.368 1.726 1.00 0.00 C ATOM 168 O CYS A 12 4.265 -4.183 2.586 1.00 0.00 O ATOM 169 CB CYS A 12 5.465 -4.822 -0.112 1.00 0.00 C ATOM 170 SG CYS A 12 6.794 -5.223 -1.305 1.00 0.00 S ATOM 0 H CYS A 12 6.968 -4.776 2.104 1.00 0.00 H new ATOM 0 HA CYS A 12 5.959 -2.773 0.197 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.260 -5.705 0.493 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.554 -4.596 -0.666 1.00 0.00 H new ATOM 175 N ARG A 13 4.012 -2.223 1.562 1.00 0.00 N ATOM 176 CA ARG A 13 2.866 -1.878 2.352 1.00 0.00 C ATOM 177 C ARG A 13 1.665 -1.794 1.451 1.00 0.00 C ATOM 178 O ARG A 13 1.755 -1.278 0.326 1.00 0.00 O ATOM 179 CB ARG A 13 3.047 -0.548 3.102 1.00 0.00 C ATOM 180 CG ARG A 13 1.915 -0.285 4.093 1.00 0.00 C ATOM 181 CD ARG A 13 2.021 1.059 4.788 1.00 0.00 C ATOM 182 NE ARG A 13 1.852 2.198 3.870 1.00 0.00 N ATOM 183 CZ ARG A 13 0.759 2.994 3.814 1.00 0.00 C ATOM 184 NH1 ARG A 13 -0.367 2.649 4.463 1.00 0.00 N ATOM 185 NH2 ARG A 13 0.789 4.109 3.075 1.00 0.00 N ATOM 0 H ARG A 13 4.299 -1.513 0.888 1.00 0.00 H new ATOM 0 HA ARG A 13 2.731 -2.653 3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.998 -0.560 3.634 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.095 0.269 2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.962 -0.339 3.567 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.910 -1.075 4.844 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.266 1.117 5.572 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.993 1.134 5.275 1.00 0.00 H new ATOM 0 HE ARG A 13 2.617 2.403 3.227 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.401 1.783 5.001 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.188 3.253 4.417 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.633 4.355 2.557 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.032 4.713 3.029 1.00 0.00 H new ATOM 199 N CYS A 14 0.573 -2.315 1.898 1.00 0.00 N ATOM 200 CA CYS A 14 -0.625 -2.242 1.141 1.00 0.00 C ATOM 201 C CYS A 14 -1.593 -1.303 1.779 1.00 0.00 C ATOM 202 O CYS A 14 -1.776 -1.294 2.994 1.00 0.00 O ATOM 203 CB CYS A 14 -1.246 -3.604 0.941 1.00 0.00 C ATOM 204 SG CYS A 14 -0.139 -4.803 0.108 1.00 0.00 S ATOM 0 H CYS A 14 0.488 -2.799 2.792 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.368 -1.856 0.154 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.538 -4.006 1.911 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.157 -3.495 0.353 1.00 0.00 H new ATOM 209 N VAL A 15 -2.159 -0.494 0.968 1.00 0.00 N ATOM 210 CA VAL A 15 -3.150 0.444 1.363 1.00 0.00 C ATOM 211 C VAL A 15 -4.466 -0.145 0.935 1.00 0.00 C ATOM 212 O VAL A 15 -4.698 -0.351 -0.255 1.00 0.00 O ATOM 213 CB VAL A 15 -2.940 1.808 0.639 1.00 0.00 C ATOM 214 CG1 VAL A 15 -3.964 2.843 1.091 1.00 0.00 C ATOM 215 CG2 VAL A 15 -1.523 2.324 0.850 1.00 0.00 C ATOM 0 H VAL A 15 -1.940 -0.461 -0.028 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.105 0.629 2.436 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.087 1.639 -0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.788 3.782 0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.968 2.484 0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.869 3.004 2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.402 3.277 0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.341 2.462 1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.810 1.603 0.451 1.00 0.00 H new ATOM 225 N CYS A 16 -5.298 -0.441 1.861 1.00 0.00 N ATOM 226 CA CYS A 16 -6.545 -1.036 1.534 1.00 0.00 C ATOM 227 C CYS A 16 -7.666 -0.089 1.797 1.00 0.00 C ATOM 228 O CYS A 16 -7.786 0.472 2.892 1.00 0.00 O ATOM 229 CB CYS A 16 -6.755 -2.355 2.257 1.00 0.00 C ATOM 230 SG CYS A 16 -5.589 -3.676 1.780 1.00 0.00 S ATOM 0 H CYS A 16 -5.141 -0.282 2.856 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.531 -1.260 0.467 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.670 -2.184 3.330 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.772 -2.700 2.068 1.00 0.00 H new ATOM 235 N ARG A 17 -8.469 0.103 0.810 1.00 0.00 N ATOM 236 CA ARG A 17 -9.558 1.009 0.887 1.00 0.00 C ATOM 237 C ARG A 17 -10.793 0.392 0.290 1.00 0.00 C ATOM 238 O ARG A 17 -10.907 0.262 -0.936 1.00 0.00 O ATOM 239 CB ARG A 17 -9.209 2.313 0.182 1.00 0.00 C ATOM 240 CG ARG A 17 -10.259 3.394 0.334 1.00 0.00 C ATOM 241 CD ARG A 17 -9.751 4.706 -0.213 1.00 0.00 C ATOM 242 NE ARG A 17 -8.546 5.153 0.507 1.00 0.00 N ATOM 243 CZ ARG A 17 -7.592 5.950 0.007 1.00 0.00 C ATOM 244 NH1 ARG A 17 -7.687 6.411 -1.248 1.00 0.00 N ATOM 245 NH2 ARG A 17 -6.549 6.285 0.765 1.00 0.00 N ATOM 0 H ARG A 17 -8.385 -0.373 -0.088 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.759 1.230 1.935 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.261 2.683 0.573 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.060 2.112 -0.879 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.168 3.102 -0.191 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.521 3.509 1.386 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.525 4.597 -1.274 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.530 5.464 -0.129 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.428 4.829 1.467 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.488 6.155 -1.826 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.959 7.018 -1.625 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.480 5.935 1.721 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.820 6.891 0.390 1.00 0.00 H new ATOM 259 N ARG A 18 -11.657 -0.054 1.175 1.00 0.00 N ATOM 260 CA ARG A 18 -12.975 -0.591 0.874 1.00 0.00 C ATOM 261 C ARG A 18 -12.961 -1.593 -0.295 1.00 0.00 C ATOM 262 O ARG A 18 -13.554 -1.352 -1.342 1.00 0.00 O ATOM 263 CB ARG A 18 -13.970 0.566 0.633 1.00 0.00 C ATOM 264 CG ARG A 18 -15.430 0.149 0.591 1.00 0.00 C ATOM 265 CD ARG A 18 -15.849 -0.447 1.916 1.00 0.00 C ATOM 266 NE ARG A 18 -17.229 -0.908 1.930 1.00 0.00 N ATOM 267 CZ ARG A 18 -17.736 -1.697 2.879 1.00 0.00 C ATOM 268 NH1 ARG A 18 -16.972 -2.078 3.908 1.00 0.00 N ATOM 269 NH2 ARG A 18 -18.998 -2.104 2.808 1.00 0.00 N ATOM 0 H ARG A 18 -11.454 -0.054 2.175 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.307 -1.163 1.741 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.841 1.308 1.421 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.718 1.053 -0.309 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -16.054 1.012 0.360 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.584 -0.578 -0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.192 -1.283 2.154 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.714 0.298 2.700 1.00 0.00 H new ATOM 0 HE ARG A 18 -17.843 -0.611 1.172 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.003 -1.765 3.967 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.358 -2.681 4.634 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -19.584 -1.814 2.026 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -19.381 -2.707 3.536 1.00 0.00 H new TER 283 ARG A 18