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= -0.0471 (180deg=-0.0471) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.211 -1.399 0.246 1.00 0.00 N ATOM 2 CA GLY A 1 -12.387 -2.673 -0.399 1.00 0.00 C ATOM 3 C GLY A 1 -11.275 -2.988 -1.375 1.00 0.00 C ATOM 4 O GLY A 1 -11.102 -4.140 -1.781 1.00 0.00 O ATOM 0 H2 GLY A 1 -12.999 -1.231 0.904 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.434 -3.456 0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.341 -2.681 -0.926 1.00 0.00 H new ATOM 8 N VAL A 2 -10.508 -1.988 -1.735 1.00 0.00 N ATOM 9 CA VAL A 2 -9.445 -2.156 -2.691 1.00 0.00 C ATOM 10 C VAL A 2 -8.130 -2.354 -1.963 1.00 0.00 C ATOM 11 O VAL A 2 -7.642 -1.446 -1.268 1.00 0.00 O ATOM 12 CB VAL A 2 -9.334 -0.932 -3.640 1.00 0.00 C ATOM 13 CG1 VAL A 2 -8.252 -1.143 -4.695 1.00 0.00 C ATOM 14 CG2 VAL A 2 -10.673 -0.634 -4.298 1.00 0.00 C ATOM 0 H VAL A 2 -10.604 -1.039 -1.374 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.672 -3.034 -3.296 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.048 -0.071 -3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.200 -0.268 -5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.289 -1.289 -4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.492 -2.023 -5.292 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.570 0.227 -4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.994 -1.499 -4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.415 -0.416 -3.530 1.00 0.00 H new ATOM 24 N CYS A 3 -7.582 -3.524 -2.077 1.00 0.00 N ATOM 25 CA CYS A 3 -6.303 -3.809 -1.486 1.00 0.00 C ATOM 26 C CYS A 3 -5.239 -3.711 -2.537 1.00 0.00 C ATOM 27 O CYS A 3 -5.315 -4.373 -3.562 1.00 0.00 O ATOM 28 CB CYS A 3 -6.274 -5.181 -0.823 1.00 0.00 C ATOM 29 SG CYS A 3 -7.367 -5.350 0.633 1.00 0.00 S ATOM 0 H CYS A 3 -8.002 -4.307 -2.578 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.117 -3.073 -0.703 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.556 -5.932 -1.561 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.251 -5.401 -0.519 1.00 0.00 H new ATOM 34 N ARG A 4 -4.282 -2.862 -2.312 1.00 0.00 N ATOM 35 CA ARG A 4 -3.224 -2.666 -3.267 1.00 0.00 C ATOM 36 C ARG A 4 -1.884 -2.673 -2.558 1.00 0.00 C ATOM 37 O ARG A 4 -1.752 -2.112 -1.470 1.00 0.00 O ATOM 38 CB ARG A 4 -3.439 -1.351 -4.009 1.00 0.00 C ATOM 39 CG ARG A 4 -2.460 -1.098 -5.138 1.00 0.00 C ATOM 40 CD ARG A 4 -2.785 0.199 -5.833 1.00 0.00 C ATOM 41 NE ARG A 4 -1.908 0.460 -6.969 1.00 0.00 N ATOM 42 CZ ARG A 4 -2.178 1.346 -7.932 1.00 0.00 C ATOM 43 NH1 ARG A 4 -3.311 2.029 -7.897 1.00 0.00 N ATOM 44 NH2 ARG A 4 -1.327 1.542 -8.929 1.00 0.00 N ATOM 0 H ARG A 4 -4.209 -2.289 -1.471 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.232 -3.479 -3.993 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.451 -1.338 -4.413 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.370 -0.530 -3.295 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -1.444 -1.063 -4.746 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.498 -1.920 -5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.820 0.175 -6.175 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.704 1.020 -5.120 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.036 -0.066 -7.032 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.974 1.878 -7.137 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.521 2.706 -8.630 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.455 1.014 -8.967 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -1.544 2.221 -9.659 1.00 0.00 H new ATOM 58 N CYS A 5 -0.911 -3.321 -3.138 1.00 0.00 N ATOM 59 CA CYS A 5 0.401 -3.382 -2.535 1.00 0.00 C ATOM 60 C CYS A 5 1.329 -2.366 -3.157 1.00 0.00 C ATOM 61 O CYS A 5 1.346 -2.173 -4.373 1.00 0.00 O ATOM 62 CB CYS A 5 0.984 -4.788 -2.592 1.00 0.00 C ATOM 63 SG CYS A 5 -0.149 -6.094 -1.953 1.00 0.00 S ATOM 0 H CYS A 5 -0.997 -3.815 -4.026 1.00 0.00 H new ATOM 0 HA CYS A 5 0.292 -3.129 -1.480 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.245 -5.021 -3.624 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.909 -4.810 -2.016 1.00 0.00 H new ATOM 68 N VAL A 6 2.062 -1.699 -2.309 1.00 0.00 N ATOM 69 CA VAL A 6 2.977 -0.650 -2.694 1.00 0.00 C ATOM 70 C VAL A 6 4.349 -0.989 -2.118 1.00 0.00 C ATOM 71 O VAL A 6 4.436 -1.476 -0.981 1.00 0.00 O ATOM 72 CB VAL A 6 2.493 0.729 -2.116 1.00 0.00 C ATOM 73 CG1 VAL A 6 3.406 1.871 -2.528 1.00 0.00 C ATOM 74 CG2 VAL A 6 1.053 1.030 -2.528 1.00 0.00 C ATOM 0 H VAL A 6 2.042 -1.871 -1.304 1.00 0.00 H new ATOM 0 HA VAL A 6 3.023 -0.574 -3.780 1.00 0.00 H new ATOM 0 HB VAL A 6 2.533 0.644 -1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.034 2.805 -2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.414 1.682 -2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.426 1.946 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.749 1.991 -2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.986 1.068 -3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.395 0.247 -2.151 1.00 0.00 H new ATOM 84 N CYS A 7 5.395 -0.782 -2.875 1.00 0.00 N ATOM 85 CA CYS A 7 6.727 -1.051 -2.388 1.00 0.00 C ATOM 86 C CYS A 7 7.485 0.227 -2.169 1.00 0.00 C ATOM 87 O CYS A 7 7.634 1.051 -3.080 1.00 0.00 O ATOM 88 CB CYS A 7 7.507 -1.989 -3.294 1.00 0.00 C ATOM 89 SG CYS A 7 6.730 -3.629 -3.568 1.00 0.00 S ATOM 0 H CYS A 7 5.353 -0.428 -3.831 1.00 0.00 H new ATOM 0 HA CYS A 7 6.611 -1.561 -1.432 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.646 -1.504 -4.260 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.499 -2.140 -2.867 1.00 0.00 H new ATOM 94 N ARG A 8 7.954 0.383 -0.974 1.00 0.00 N ATOM 95 CA ARG A 8 8.665 1.563 -0.565 1.00 0.00 C ATOM 96 C ARG A 8 9.947 1.149 0.139 1.00 0.00 C ATOM 97 O ARG A 8 9.903 0.504 1.187 1.00 0.00 O ATOM 98 CB ARG A 8 7.795 2.406 0.380 1.00 0.00 C ATOM 99 CG ARG A 8 8.438 3.716 0.818 1.00 0.00 C ATOM 100 CD ARG A 8 7.603 4.426 1.873 1.00 0.00 C ATOM 101 NE ARG A 8 6.254 4.793 1.406 1.00 0.00 N ATOM 102 CZ ARG A 8 5.231 5.135 2.214 1.00 0.00 C ATOM 103 NH1 ARG A 8 5.388 5.110 3.543 1.00 0.00 N ATOM 104 NH2 ARG A 8 4.058 5.499 1.700 1.00 0.00 N ATOM 0 H ARG A 8 7.855 -0.315 -0.237 1.00 0.00 H new ATOM 0 HA ARG A 8 8.905 2.165 -1.442 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.849 2.626 -0.115 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.562 1.815 1.265 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.434 3.518 1.214 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.563 4.368 -0.047 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.513 3.782 2.748 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.126 5.327 2.193 1.00 0.00 H new ATOM 0 HE ARG A 8 6.083 4.788 0.401 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.283 4.832 3.946 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.613 5.369 4.153 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.929 5.520 0.688 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.288 5.756 2.318 1.00 0.00 H new ATOM 118 N ARG A 9 11.074 1.462 -0.483 1.00 0.00 N ATOM 119 CA ARG A 9 12.411 1.187 0.064 1.00 0.00 C ATOM 120 C ARG A 9 12.578 -0.316 0.394 1.00 0.00 C ATOM 121 O ARG A 9 13.042 -0.714 1.477 1.00 0.00 O ATOM 122 CB ARG A 9 12.697 2.098 1.286 1.00 0.00 C ATOM 123 CG ARG A 9 14.119 2.021 1.838 1.00 0.00 C ATOM 124 CD ARG A 9 15.158 2.453 0.816 1.00 0.00 C ATOM 125 NE ARG A 9 16.522 2.357 1.355 1.00 0.00 N ATOM 126 CZ ARG A 9 17.483 3.266 1.167 1.00 0.00 C ATOM 127 NH1 ARG A 9 17.261 4.310 0.393 1.00 0.00 N ATOM 128 NH2 ARG A 9 18.669 3.118 1.742 1.00 0.00 N ATOM 0 H ARG A 9 11.095 1.920 -1.394 1.00 0.00 H new ATOM 0 HA ARG A 9 13.156 1.424 -0.696 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.489 3.131 1.005 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.001 1.838 2.083 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.198 2.653 2.723 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.328 1.000 2.156 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.074 1.830 -0.075 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.960 3.479 0.507 1.00 0.00 H new ATOM 0 HE ARG A 9 16.752 1.535 1.914 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.355 4.424 -0.062 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.995 5.004 0.250 1.00 0.00 H new ATOM 0 HH21 ARG A 9 18.852 2.306 2.332 1.00 0.00 H new ATOM 0 HH22 ARG A 9 19.398 3.816 1.594 1.00 0.00 H new ATOM 142 N GLY A 10 12.122 -1.142 -0.524 1.00 0.00 N ATOM 143 CA GLY A 10 12.258 -2.570 -0.391 1.00 0.00 C ATOM 144 C GLY A 10 11.175 -3.200 0.460 1.00 0.00 C ATOM 145 O GLY A 10 11.077 -4.429 0.539 1.00 0.00 O ATOM 0 H GLY A 10 11.650 -0.841 -1.377 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.241 -3.023 -1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.231 -2.796 0.046 1.00 0.00 H new ATOM 149 N VAL A 11 10.385 -2.387 1.112 1.00 0.00 N ATOM 150 CA VAL A 11 9.318 -2.881 1.929 1.00 0.00 C ATOM 151 C VAL A 11 8.032 -2.793 1.152 1.00 0.00 C ATOM 152 O VAL A 11 7.581 -1.705 0.795 1.00 0.00 O ATOM 153 CB VAL A 11 9.192 -2.099 3.264 1.00 0.00 C ATOM 154 CG1 VAL A 11 8.037 -2.636 4.112 1.00 0.00 C ATOM 155 CG2 VAL A 11 10.493 -2.175 4.043 1.00 0.00 C ATOM 0 H VAL A 11 10.466 -1.370 1.089 1.00 0.00 H new ATOM 0 HA VAL A 11 9.535 -3.917 2.188 1.00 0.00 H new ATOM 0 HB VAL A 11 8.981 -1.057 3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.973 -2.069 5.041 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.103 -2.535 3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.211 -3.688 4.340 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.391 -1.622 4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.726 -3.217 4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.298 -1.740 3.450 1.00 0.00 H new ATOM 165 N CYS A 12 7.490 -3.912 0.833 1.00 0.00 N ATOM 166 CA CYS A 12 6.248 -3.956 0.154 1.00 0.00 C ATOM 167 C CYS A 12 5.160 -4.156 1.162 1.00 0.00 C ATOM 168 O CYS A 12 5.168 -5.128 1.917 1.00 0.00 O ATOM 169 CB CYS A 12 6.250 -5.047 -0.907 1.00 0.00 C ATOM 170 SG CYS A 12 7.568 -4.836 -2.159 1.00 0.00 S ATOM 0 H CYS A 12 7.897 -4.825 1.036 1.00 0.00 H new ATOM 0 HA CYS A 12 6.074 -3.016 -0.369 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.371 -6.016 -0.422 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.282 -5.060 -1.407 1.00 0.00 H new ATOM 175 N ARG A 13 4.255 -3.235 1.191 1.00 0.00 N ATOM 176 CA ARG A 13 3.189 -3.236 2.138 1.00 0.00 C ATOM 177 C ARG A 13 1.873 -3.189 1.400 1.00 0.00 C ATOM 178 O ARG A 13 1.750 -2.486 0.387 1.00 0.00 O ATOM 179 CB ARG A 13 3.328 -2.019 3.054 1.00 0.00 C ATOM 180 CG ARG A 13 2.251 -1.913 4.105 1.00 0.00 C ATOM 181 CD ARG A 13 2.423 -0.678 4.951 1.00 0.00 C ATOM 182 NE ARG A 13 1.357 -0.554 5.942 1.00 0.00 N ATOM 183 CZ ARG A 13 1.241 0.450 6.814 1.00 0.00 C ATOM 184 NH1 ARG A 13 2.212 1.366 6.919 1.00 0.00 N ATOM 185 NH2 ARG A 13 0.166 0.520 7.601 1.00 0.00 N ATOM 0 H ARG A 13 4.235 -2.446 0.545 1.00 0.00 H new ATOM 0 HA ARG A 13 3.225 -4.141 2.744 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.299 -2.058 3.547 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.316 -1.116 2.444 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.273 -1.892 3.624 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.275 -2.797 4.742 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.388 -0.714 5.456 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.430 0.204 4.311 1.00 0.00 H new ATOM 0 HE ARG A 13 0.650 -1.288 5.970 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.043 1.298 6.332 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.120 2.132 7.586 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.562 -0.191 7.535 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.072 1.285 8.269 1.00 0.00 H new ATOM 199 N CYS A 14 0.908 -3.937 1.855 1.00 0.00 N ATOM 200 CA CYS A 14 -0.361 -3.929 1.211 1.00 0.00 C ATOM 201 C CYS A 14 -1.336 -3.089 1.978 1.00 0.00 C ATOM 202 O CYS A 14 -1.546 -3.259 3.180 1.00 0.00 O ATOM 203 CB CYS A 14 -0.868 -5.321 0.935 1.00 0.00 C ATOM 204 SG CYS A 14 0.342 -6.355 0.011 1.00 0.00 S ATOM 0 H CYS A 14 0.981 -4.554 2.664 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.241 -3.467 0.231 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.108 -5.809 1.880 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.795 -5.258 0.364 1.00 0.00 H new ATOM 209 N VAL A 15 -1.895 -2.173 1.285 1.00 0.00 N ATOM 210 CA VAL A 15 -2.768 -1.193 1.847 1.00 0.00 C ATOM 211 C VAL A 15 -4.176 -1.466 1.369 1.00 0.00 C ATOM 212 O VAL A 15 -4.425 -1.544 0.158 1.00 0.00 O ATOM 213 CB VAL A 15 -2.350 0.236 1.413 1.00 0.00 C ATOM 214 CG1 VAL A 15 -3.198 1.284 2.104 1.00 0.00 C ATOM 215 CG2 VAL A 15 -0.866 0.487 1.677 1.00 0.00 C ATOM 0 H VAL A 15 -1.760 -2.073 0.279 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.713 -1.253 2.934 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.518 0.313 0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.884 2.277 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.246 1.133 1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.075 1.197 3.184 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.606 1.497 1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.662 0.376 2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.270 -0.233 1.116 1.00 0.00 H new ATOM 225 N CYS A 16 -5.064 -1.666 2.285 1.00 0.00 N ATOM 226 CA CYS A 16 -6.434 -1.882 1.943 1.00 0.00 C ATOM 227 C CYS A 16 -7.233 -0.673 2.257 1.00 0.00 C ATOM 228 O CYS A 16 -7.168 -0.146 3.365 1.00 0.00 O ATOM 229 CB CYS A 16 -7.016 -3.094 2.626 1.00 0.00 C ATOM 230 SG CYS A 16 -6.222 -4.663 2.165 1.00 0.00 S ATOM 0 H CYS A 16 -4.865 -1.685 3.285 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.475 -2.075 0.871 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.936 -2.963 3.705 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.079 -3.155 2.390 1.00 0.00 H new ATOM 235 N ARG A 17 -7.954 -0.222 1.290 1.00 0.00 N ATOM 236 CA ARG A 17 -8.763 0.957 1.438 1.00 0.00 C ATOM 237 C ARG A 17 -9.996 0.858 0.570 1.00 0.00 C ATOM 238 O ARG A 17 -9.892 0.644 -0.642 1.00 0.00 O ATOM 239 CB ARG A 17 -7.947 2.210 1.078 1.00 0.00 C ATOM 240 CG ARG A 17 -8.727 3.522 1.147 1.00 0.00 C ATOM 241 CD ARG A 17 -7.842 4.709 0.797 1.00 0.00 C ATOM 242 NE ARG A 17 -7.197 4.553 -0.517 1.00 0.00 N ATOM 243 CZ ARG A 17 -6.309 5.400 -1.061 1.00 0.00 C ATOM 244 NH1 ARG A 17 -5.979 6.530 -0.434 1.00 0.00 N ATOM 245 NH2 ARG A 17 -5.761 5.111 -2.235 1.00 0.00 N ATOM 0 H ARG A 17 -8.005 -0.655 0.368 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.079 1.038 2.478 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.092 2.276 1.751 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.551 2.091 0.070 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.573 3.481 0.461 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.135 3.653 2.149 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.441 5.620 0.800 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.077 4.828 1.564 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.447 3.728 -1.062 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.402 6.756 0.466 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.303 7.168 -0.855 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.015 4.250 -2.718 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.086 5.750 -2.654 1.00 0.00 H new ATOM 259 N ARG A 18 -11.148 0.946 1.211 1.00 0.00 N ATOM 260 CA ARG A 18 -12.459 0.981 0.559 1.00 0.00 C ATOM 261 C ARG A 18 -12.698 -0.293 -0.273 1.00 0.00 C ATOM 262 O ARG A 18 -13.272 -0.261 -1.368 1.00 0.00 O ATOM 263 CB ARG A 18 -12.586 2.277 -0.282 1.00 0.00 C ATOM 264 CG ARG A 18 -13.995 2.622 -0.758 1.00 0.00 C ATOM 265 CD ARG A 18 -14.976 2.706 0.403 1.00 0.00 C ATOM 266 NE ARG A 18 -14.508 3.610 1.462 1.00 0.00 N ATOM 267 CZ ARG A 18 -15.294 4.287 2.307 1.00 0.00 C ATOM 268 NH1 ARG A 18 -16.616 4.302 2.145 1.00 0.00 N ATOM 269 NH2 ARG A 18 -14.744 4.968 3.307 1.00 0.00 N ATOM 0 H ARG A 18 -11.206 0.997 2.228 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.242 0.999 1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.208 3.111 0.310 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.939 2.187 -1.155 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.977 3.574 -1.289 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.334 1.867 -1.468 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.943 3.050 0.035 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.129 1.710 0.819 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.500 3.732 1.561 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.041 3.793 1.370 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.204 4.822 2.796 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.731 4.972 3.425 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.335 5.487 3.956 1.00 0.00 H new TER 283 ARG A 18