USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 142 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= -1.09 (180deg=-1.09) USER MOD Single : A 17 THR OG1 : rot 61:sc= 2.2 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.127 -4.122 0.520 1.00 0.00 N ATOM 2 CA GLY A 1 11.369 -3.561 1.832 1.00 0.00 C ATOM 3 C GLY A 1 10.122 -3.603 2.696 1.00 0.00 C ATOM 4 O GLY A 1 10.212 -3.663 3.919 1.00 0.00 O ATOM 0 H2 GLY A 1 12.000 -4.077 -0.043 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.171 -4.113 2.322 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.708 -2.530 1.731 1.00 0.00 H new ATOM 8 N PHE A 2 8.956 -3.586 2.049 1.00 0.00 N ATOM 9 CA PHE A 2 7.680 -3.632 2.751 1.00 0.00 C ATOM 10 C PHE A 2 6.542 -3.822 1.743 1.00 0.00 C ATOM 11 O PHE A 2 6.592 -3.260 0.650 1.00 0.00 O ATOM 12 CB PHE A 2 7.456 -2.340 3.546 1.00 0.00 C ATOM 13 CG PHE A 2 6.368 -2.447 4.578 1.00 0.00 C ATOM 14 CD1 PHE A 2 6.562 -3.184 5.735 1.00 0.00 C ATOM 15 CD2 PHE A 2 5.152 -1.809 4.389 1.00 0.00 C ATOM 16 CE1 PHE A 2 5.563 -3.282 6.685 1.00 0.00 C ATOM 17 CE2 PHE A 2 4.149 -1.905 5.335 1.00 0.00 C ATOM 18 CZ PHE A 2 4.356 -2.643 6.484 1.00 0.00 C ATOM 0 H PHE A 2 8.873 -3.540 1.033 1.00 0.00 H new ATOM 0 HA PHE A 2 7.695 -4.471 3.446 1.00 0.00 H new ATOM 0 HB2 PHE A 2 8.387 -2.062 4.040 1.00 0.00 H new ATOM 0 HB3 PHE A 2 7.210 -1.535 2.853 1.00 0.00 H new ATOM 0 HD1 PHE A 2 7.504 -3.687 5.896 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.986 -1.230 3.492 1.00 0.00 H new ATOM 0 HE1 PHE A 2 5.727 -3.858 7.584 1.00 0.00 H new ATOM 0 HE2 PHE A 2 3.205 -1.404 5.176 1.00 0.00 H new ATOM 0 HZ PHE A 2 3.574 -2.720 7.225 1.00 0.00 H new ATOM 28 N CYS A 3 5.519 -4.595 2.092 1.00 0.00 N ATOM 29 CA CYS A 3 4.406 -4.814 1.183 1.00 0.00 C ATOM 30 C CYS A 3 3.094 -4.392 1.830 1.00 0.00 C ATOM 31 O CYS A 3 2.714 -4.901 2.882 1.00 0.00 O ATOM 32 CB CYS A 3 4.350 -6.282 0.755 1.00 0.00 C ATOM 33 SG CYS A 3 5.626 -6.739 -0.465 1.00 0.00 S ATOM 0 H CYS A 3 5.440 -5.075 2.989 1.00 0.00 H new ATOM 0 HA CYS A 3 4.559 -4.201 0.295 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.461 -6.913 1.637 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.366 -6.491 0.335 1.00 0.00 H new ATOM 38 N ARG A 4 2.411 -3.454 1.195 1.00 0.00 N ATOM 39 CA ARG A 4 1.143 -2.955 1.703 1.00 0.00 C ATOM 40 C ARG A 4 -0.017 -3.681 1.033 1.00 0.00 C ATOM 41 O ARG A 4 -0.720 -3.118 0.195 1.00 0.00 O ATOM 42 CB ARG A 4 1.030 -1.446 1.464 1.00 0.00 C ATOM 43 CG ARG A 4 1.811 -0.609 2.463 1.00 0.00 C ATOM 44 CD ARG A 4 2.460 0.591 1.792 1.00 0.00 C ATOM 45 NE ARG A 4 3.918 0.578 1.931 1.00 0.00 N ATOM 46 CZ ARG A 4 4.755 0.134 0.990 1.00 0.00 C ATOM 47 NH1 ARG A 4 4.286 -0.306 -0.170 1.00 0.00 N ATOM 48 NH2 ARG A 4 6.065 0.139 1.204 1.00 0.00 N ATOM 0 H ARG A 4 2.715 -3.021 0.323 1.00 0.00 H new ATOM 0 HA ARG A 4 1.101 -3.143 2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.384 -1.219 0.458 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.021 -1.158 1.505 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.144 -0.269 3.255 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.578 -1.224 2.934 1.00 0.00 H new ATOM 0 HD2 ARG A 4 2.197 0.600 0.734 1.00 0.00 H new ATOM 0 HD3 ARG A 4 2.063 1.508 2.227 1.00 0.00 H new ATOM 0 HE ARG A 4 4.319 0.930 2.800 1.00 0.00 H new ATOM 0 HH11 ARG A 4 3.281 -0.306 -0.347 1.00 0.00 H new ATOM 0 HH12 ARG A 4 4.930 -0.644 -0.885 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.436 0.483 2.090 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.701 -0.201 0.483 1.00 0.00 H new ATOM 62 N CYS A 5 -0.206 -4.936 1.396 1.00 0.00 N ATOM 63 CA CYS A 5 -1.274 -5.743 0.824 1.00 0.00 C ATOM 64 C CYS A 5 -2.385 -5.963 1.840 1.00 0.00 C ATOM 65 O CYS A 5 -2.889 -7.071 2.000 1.00 0.00 O ATOM 66 CB CYS A 5 -0.716 -7.081 0.338 1.00 0.00 C ATOM 67 SG CYS A 5 1.012 -6.985 -0.236 1.00 0.00 S ATOM 0 H CYS A 5 0.367 -5.422 2.086 1.00 0.00 H new ATOM 0 HA CYS A 5 -1.696 -5.210 -0.028 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.781 -7.808 1.147 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -1.340 -7.452 -0.475 1.00 0.00 H new ATOM 72 N LEU A 6 -2.761 -4.892 2.528 1.00 0.00 N ATOM 73 CA LEU A 6 -3.812 -4.959 3.534 1.00 0.00 C ATOM 74 C LEU A 6 -5.172 -4.641 2.921 1.00 0.00 C ATOM 75 O LEU A 6 -6.194 -4.703 3.603 1.00 0.00 O ATOM 76 CB LEU A 6 -3.515 -3.986 4.678 1.00 0.00 C ATOM 77 CG LEU A 6 -2.850 -4.612 5.905 1.00 0.00 C ATOM 78 CD1 LEU A 6 -2.185 -3.541 6.754 1.00 0.00 C ATOM 79 CD2 LEU A 6 -3.869 -5.390 6.724 1.00 0.00 C ATOM 0 H LEU A 6 -2.352 -3.965 2.407 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.839 -5.975 3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.871 -3.191 4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.449 -3.519 4.989 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.081 -5.306 5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.717 -4.004 7.623 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.426 -3.028 6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.934 -2.822 7.086 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.379 -5.829 7.593 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.660 -4.717 7.055 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.299 -6.182 6.112 1.00 0.00 H new ATOM 91 N CYS A 7 -5.164 -4.300 1.629 1.00 0.00 N ATOM 92 CA CYS A 7 -6.385 -3.968 0.890 1.00 0.00 C ATOM 93 C CYS A 7 -6.997 -2.644 1.360 1.00 0.00 C ATOM 94 O CYS A 7 -6.818 -2.223 2.504 1.00 0.00 O ATOM 95 CB CYS A 7 -7.410 -5.110 0.994 1.00 0.00 C ATOM 96 SG CYS A 7 -7.292 -6.329 -0.357 1.00 0.00 S ATOM 0 H CYS A 7 -4.314 -4.246 1.068 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.108 -3.843 -0.157 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.274 -5.622 1.946 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.414 -4.685 1.001 1.00 0.00 H new ATOM 101 N ARG A 8 -7.716 -1.976 0.467 1.00 0.00 N ATOM 102 CA ARG A 8 -8.346 -0.712 0.791 1.00 0.00 C ATOM 103 C ARG A 8 -9.836 -0.806 0.509 1.00 0.00 C ATOM 104 O ARG A 8 -10.242 -1.547 -0.382 1.00 0.00 O ATOM 105 CB ARG A 8 -7.682 0.427 0.002 1.00 0.00 C ATOM 106 CG ARG A 8 -7.060 1.492 0.890 1.00 0.00 C ATOM 107 CD ARG A 8 -5.906 0.930 1.707 1.00 0.00 C ATOM 108 NE ARG A 8 -5.749 1.620 2.990 1.00 0.00 N ATOM 109 CZ ARG A 8 -5.865 1.026 4.181 1.00 0.00 C ATOM 110 NH1 ARG A 8 -6.149 -0.272 4.263 1.00 0.00 N ATOM 111 NH2 ARG A 8 -5.696 1.734 5.295 1.00 0.00 N ATOM 0 H ARG A 8 -7.875 -2.294 -0.489 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.215 -0.491 1.850 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.912 0.009 -0.646 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.425 0.892 -0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.704 2.318 0.275 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.818 1.898 1.560 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.073 -0.132 1.886 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.982 1.016 1.135 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.538 2.618 2.973 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.280 -0.820 3.413 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.236 -0.718 5.176 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.478 2.729 5.239 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.784 1.282 6.205 1.00 0.00 H new ATOM 125 N ARG A 9 -10.643 -0.088 1.297 1.00 0.00 N ATOM 126 CA ARG A 9 -12.098 -0.113 1.153 1.00 0.00 C ATOM 127 C ARG A 9 -12.542 0.413 -0.209 1.00 0.00 C ATOM 128 O ARG A 9 -12.970 1.557 -0.339 1.00 0.00 O ATOM 129 CB ARG A 9 -12.752 0.708 2.268 1.00 0.00 C ATOM 130 CG ARG A 9 -14.057 0.114 2.776 1.00 0.00 C ATOM 131 CD ARG A 9 -13.815 -0.877 3.904 1.00 0.00 C ATOM 132 NE ARG A 9 -15.000 -1.052 4.745 1.00 0.00 N ATOM 133 CZ ARG A 9 -15.090 -1.942 5.737 1.00 0.00 C ATOM 134 NH1 ARG A 9 -14.062 -2.740 6.013 1.00 0.00 N ATOM 135 NH2 ARG A 9 -16.208 -2.032 6.451 1.00 0.00 N ATOM 0 H ARG A 9 -10.308 0.520 2.044 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.418 -1.152 1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.054 0.796 3.101 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -12.940 1.717 1.902 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.710 0.913 3.126 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.575 -0.385 1.957 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.523 -1.840 3.484 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.983 -0.532 4.518 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.808 -0.457 4.562 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.203 -2.673 5.467 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.133 -3.419 6.771 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.998 -1.421 6.241 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.276 -2.712 7.208 1.00 0.00 H new ATOM 149 N GLY A 10 -12.428 -0.437 -1.215 1.00 0.00 N ATOM 150 CA GLY A 10 -12.812 -0.067 -2.562 1.00 0.00 C ATOM 151 C GLY A 10 -11.788 -0.517 -3.588 1.00 0.00 C ATOM 152 O GLY A 10 -12.108 -0.677 -4.763 1.00 0.00 O ATOM 0 H GLY A 10 -12.072 -1.388 -1.122 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.780 -0.509 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.933 1.015 -2.621 1.00 0.00 H new ATOM 156 N VAL A 11 -10.554 -0.739 -3.139 1.00 0.00 N ATOM 157 CA VAL A 11 -9.486 -1.187 -4.026 1.00 0.00 C ATOM 158 C VAL A 11 -8.599 -2.210 -3.328 1.00 0.00 C ATOM 159 O VAL A 11 -7.801 -1.868 -2.454 1.00 0.00 O ATOM 160 CB VAL A 11 -8.597 -0.021 -4.528 1.00 0.00 C ATOM 161 CG1 VAL A 11 -9.055 0.458 -5.897 1.00 0.00 C ATOM 162 CG2 VAL A 11 -8.577 1.134 -3.533 1.00 0.00 C ATOM 0 H VAL A 11 -10.271 -0.616 -2.167 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.978 -1.637 -4.888 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.579 -0.399 -4.618 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.416 1.277 -6.229 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.991 -0.364 -6.610 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.086 0.805 -5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.944 1.934 -3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.590 1.509 -3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.182 0.785 -2.579 1.00 0.00 H new ATOM 172 N CYS A 12 -8.734 -3.466 -3.713 1.00 0.00 N ATOM 173 CA CYS A 12 -7.932 -4.524 -3.122 1.00 0.00 C ATOM 174 C CYS A 12 -6.684 -4.767 -3.959 1.00 0.00 C ATOM 175 O CYS A 12 -6.662 -5.621 -4.844 1.00 0.00 O ATOM 176 CB CYS A 12 -8.746 -5.812 -2.977 1.00 0.00 C ATOM 177 SG CYS A 12 -9.118 -6.254 -1.247 1.00 0.00 S ATOM 0 H CYS A 12 -9.389 -3.779 -4.430 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.627 -4.208 -2.125 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.682 -5.703 -3.524 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.198 -6.632 -3.442 1.00 0.00 H new ATOM 182 N ARG A 13 -5.646 -3.992 -3.680 1.00 0.00 N ATOM 183 CA ARG A 13 -4.392 -4.103 -4.404 1.00 0.00 C ATOM 184 C ARG A 13 -3.227 -4.195 -3.429 1.00 0.00 C ATOM 185 O ARG A 13 -3.097 -3.367 -2.529 1.00 0.00 O ATOM 186 CB ARG A 13 -4.209 -2.897 -5.333 1.00 0.00 C ATOM 187 CG ARG A 13 -4.863 -3.069 -6.696 1.00 0.00 C ATOM 188 CD ARG A 13 -4.462 -4.381 -7.350 1.00 0.00 C ATOM 189 NE ARG A 13 -3.745 -4.172 -8.609 1.00 0.00 N ATOM 190 CZ ARG A 13 -4.001 -4.840 -9.734 1.00 0.00 C ATOM 191 NH1 ARG A 13 -4.956 -5.766 -9.758 1.00 0.00 N ATOM 192 NH2 ARG A 13 -3.304 -4.582 -10.836 1.00 0.00 N ATOM 0 H ARG A 13 -5.650 -3.276 -2.953 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.416 -5.011 -5.007 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.623 -2.012 -4.850 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.143 -2.715 -5.472 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.947 -3.033 -6.587 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.580 -2.238 -7.343 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.833 -4.950 -6.665 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.353 -4.980 -7.536 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.003 -3.472 -8.627 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.494 -5.966 -8.915 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.150 -6.276 -10.620 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.572 -3.872 -10.822 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.501 -5.094 -11.696 1.00 0.00 H new ATOM 206 N CYS A 14 -2.386 -5.203 -3.607 1.00 0.00 N ATOM 207 CA CYS A 14 -1.234 -5.389 -2.741 1.00 0.00 C ATOM 208 C CYS A 14 -0.067 -4.545 -3.240 1.00 0.00 C ATOM 209 O CYS A 14 0.519 -4.828 -4.284 1.00 0.00 O ATOM 210 CB CYS A 14 -0.845 -6.873 -2.677 1.00 0.00 C ATOM 211 SG CYS A 14 0.903 -7.189 -2.257 1.00 0.00 S ATOM 0 H CYS A 14 -2.480 -5.903 -4.343 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.493 -5.064 -1.733 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.476 -7.368 -1.939 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.061 -7.333 -3.641 1.00 0.00 H new ATOM 216 N ILE A 15 0.253 -3.498 -2.495 1.00 0.00 N ATOM 217 CA ILE A 15 1.340 -2.603 -2.859 1.00 0.00 C ATOM 218 C ILE A 15 2.672 -3.163 -2.361 1.00 0.00 C ATOM 219 O ILE A 15 3.219 -2.697 -1.357 1.00 0.00 O ATOM 220 CB ILE A 15 1.126 -1.187 -2.276 1.00 0.00 C ATOM 221 CG1 ILE A 15 -0.346 -0.779 -2.390 1.00 0.00 C ATOM 222 CG2 ILE A 15 2.013 -0.176 -2.991 1.00 0.00 C ATOM 223 CD1 ILE A 15 -0.796 0.182 -1.311 1.00 0.00 C ATOM 0 H ILE A 15 -0.227 -3.247 -1.631 1.00 0.00 H new ATOM 0 HA ILE A 15 1.356 -2.528 -3.946 1.00 0.00 H new ATOM 0 HB ILE A 15 1.401 -1.203 -1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.512 -0.321 -3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.966 -1.674 -2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.849 0.815 -2.568 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.059 -0.456 -2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.767 -0.162 -4.053 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.848 0.426 -1.457 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.663 -0.281 -0.333 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.202 1.094 -1.365 1.00 0.00 H new ATOM 235 N CYS A 16 3.182 -4.176 -3.051 1.00 0.00 N ATOM 236 CA CYS A 16 4.437 -4.805 -2.672 1.00 0.00 C ATOM 237 C CYS A 16 5.626 -3.969 -3.136 1.00 0.00 C ATOM 238 O CYS A 16 5.632 -3.440 -4.246 1.00 0.00 O ATOM 239 CB CYS A 16 4.528 -6.216 -3.257 1.00 0.00 C ATOM 240 SG CYS A 16 4.567 -7.541 -2.002 1.00 0.00 S ATOM 0 H CYS A 16 2.742 -4.579 -3.878 1.00 0.00 H new ATOM 0 HA CYS A 16 4.465 -4.872 -1.584 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.676 -6.380 -3.917 1.00 0.00 H new ATOM 0 HB3 CYS A 16 5.425 -6.286 -3.872 1.00 0.00 H new ATOM 245 N THR A 17 6.627 -3.860 -2.276 1.00 0.00 N ATOM 246 CA THR A 17 7.830 -3.102 -2.575 1.00 0.00 C ATOM 247 C THR A 17 9.014 -3.746 -1.857 1.00 0.00 C ATOM 248 O THR A 17 8.842 -4.272 -0.759 1.00 0.00 O ATOM 249 CB THR A 17 7.675 -1.624 -2.127 1.00 0.00 C ATOM 250 OG1 THR A 17 6.521 -1.488 -1.285 1.00 0.00 O ATOM 251 CG2 THR A 17 7.533 -0.698 -3.328 1.00 0.00 C ATOM 0 H THR A 17 6.628 -4.294 -1.353 1.00 0.00 H new ATOM 0 HA THR A 17 8.000 -3.112 -3.652 1.00 0.00 H new ATOM 0 HB THR A 17 8.572 -1.343 -1.575 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.634 -2.041 -0.484 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.426 0.331 -2.984 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.419 -0.780 -3.957 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.652 -0.981 -3.904 1.00 0.00 H new ATOM 259 N ARG A 18 10.196 -3.734 -2.479 1.00 0.00 N ATOM 260 CA ARG A 18 11.389 -4.338 -1.883 1.00 0.00 C ATOM 261 C ARG A 18 11.749 -3.660 -0.557 1.00 0.00 C ATOM 262 O ARG A 18 12.562 -2.737 -0.519 1.00 0.00 O ATOM 263 CB ARG A 18 12.569 -4.239 -2.857 1.00 0.00 C ATOM 264 CG ARG A 18 13.380 -5.522 -2.984 1.00 0.00 C ATOM 265 CD ARG A 18 14.426 -5.639 -1.883 1.00 0.00 C ATOM 266 NE ARG A 18 15.337 -4.493 -1.863 1.00 0.00 N ATOM 267 CZ ARG A 18 15.692 -3.838 -0.755 1.00 0.00 C ATOM 268 NH1 ARG A 18 15.234 -4.230 0.430 1.00 0.00 N ATOM 269 NH2 ARG A 18 16.512 -2.794 -0.834 1.00 0.00 N ATOM 0 H ARG A 18 10.352 -3.313 -3.395 1.00 0.00 H new ATOM 0 HA ARG A 18 11.173 -5.387 -1.681 1.00 0.00 H new ATOM 0 HB2 ARG A 18 12.192 -3.962 -3.841 1.00 0.00 H new ATOM 0 HB3 ARG A 18 13.229 -3.435 -2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.711 -6.381 -2.943 1.00 0.00 H new ATOM 0 HG3 ARG A 18 13.871 -5.547 -3.957 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.927 -5.722 -0.917 1.00 0.00 H new ATOM 0 HD3 ARG A 18 15.000 -6.555 -2.025 1.00 0.00 H new ATOM 0 HE ARG A 18 15.725 -4.175 -2.751 1.00 0.00 H new ATOM 0 HH11 ARG A 18 14.609 -5.034 0.495 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.507 -3.727 1.274 1.00 0.00 H new ATOM 0 HH21 ARG A 18 16.870 -2.494 -1.741 1.00 0.00 H new ATOM 0 HH22 ARG A 18 16.783 -2.293 0.012 1.00 0.00 H new TER 283 ARG A 18