USER MOD reduce.3.24.130724 H: found=0, std=0, add=137, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 137 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= -0.319 (180deg=-0.319) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.836 -0.284 2.078 1.00 0.00 N ATOM 2 CA GLY A 1 -12.135 -1.698 1.999 1.00 0.00 C ATOM 3 C GLY A 1 -11.340 -2.395 0.908 1.00 0.00 C ATOM 4 O GLY A 1 -11.598 -3.553 0.586 1.00 0.00 O ATOM 0 H2 GLY A 1 -12.402 0.149 2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.919 -2.167 2.959 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.200 -1.832 1.811 1.00 0.00 H new ATOM 8 N PHE A 2 -10.369 -1.700 0.354 1.00 0.00 N ATOM 9 CA PHE A 2 -9.558 -2.216 -0.721 1.00 0.00 C ATOM 10 C PHE A 2 -8.084 -2.118 -0.335 1.00 0.00 C ATOM 11 O PHE A 2 -7.689 -1.207 0.397 1.00 0.00 O ATOM 12 CB PHE A 2 -9.844 -1.403 -2.009 1.00 0.00 C ATOM 13 CG PHE A 2 -9.104 -1.862 -3.244 1.00 0.00 C ATOM 14 CD1 PHE A 2 -9.587 -2.913 -4.003 1.00 0.00 C ATOM 15 CD2 PHE A 2 -7.933 -1.239 -3.647 1.00 0.00 C ATOM 16 CE1 PHE A 2 -8.921 -3.336 -5.134 1.00 0.00 C ATOM 17 CE2 PHE A 2 -7.262 -1.659 -4.781 1.00 0.00 C ATOM 18 CZ PHE A 2 -7.755 -2.708 -5.524 1.00 0.00 C ATOM 0 H PHE A 2 -10.121 -0.753 0.642 1.00 0.00 H new ATOM 0 HA PHE A 2 -9.800 -3.263 -0.906 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -10.914 -1.442 -2.212 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -9.592 -0.359 -1.823 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.499 -3.409 -3.705 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.540 -0.416 -3.069 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -9.312 -4.159 -5.715 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -6.351 -1.164 -5.084 1.00 0.00 H new ATOM 0 HZ PHE A 2 -7.231 -3.038 -6.409 1.00 0.00 H new ATOM 28 N CYS A 3 -7.283 -3.048 -0.775 1.00 0.00 N ATOM 29 CA CYS A 3 -5.870 -2.968 -0.511 1.00 0.00 C ATOM 30 C CYS A 3 -5.108 -2.742 -1.788 1.00 0.00 C ATOM 31 O CYS A 3 -5.172 -3.536 -2.729 1.00 0.00 O ATOM 32 CB CYS A 3 -5.340 -4.190 0.218 1.00 0.00 C ATOM 33 SG CYS A 3 -6.107 -4.498 1.854 1.00 0.00 S ATOM 0 H CYS A 3 -7.578 -3.863 -1.313 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.719 -2.116 0.152 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.494 -5.067 -0.411 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.264 -4.078 0.352 1.00 0.00 H new ATOM 38 N ARG A 4 -4.410 -1.666 -1.813 1.00 0.00 N ATOM 39 CA ARG A 4 -3.604 -1.277 -2.943 1.00 0.00 C ATOM 40 C ARG A 4 -2.162 -1.386 -2.509 1.00 0.00 C ATOM 41 O ARG A 4 -1.820 -0.994 -1.391 1.00 0.00 O ATOM 42 CB ARG A 4 -3.960 0.157 -3.415 1.00 0.00 C ATOM 43 CG ARG A 4 -3.717 1.264 -2.391 1.00 0.00 C ATOM 44 CD ARG A 4 -4.208 2.606 -2.908 1.00 0.00 C ATOM 45 NE ARG A 4 -3.886 3.714 -1.995 1.00 0.00 N ATOM 46 CZ ARG A 4 -4.729 4.701 -1.641 1.00 0.00 C ATOM 47 NH1 ARG A 4 -5.992 4.697 -2.065 1.00 0.00 N ATOM 48 NH2 ARG A 4 -4.300 5.696 -0.860 1.00 0.00 N ATOM 0 H ARG A 4 -4.373 -1.006 -1.036 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.790 -1.927 -3.798 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -3.380 0.381 -4.311 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -5.011 0.176 -3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.228 1.021 -1.460 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.653 1.326 -2.164 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.761 2.801 -3.883 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -5.287 2.562 -3.055 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.947 3.736 -1.598 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -6.327 3.942 -2.663 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -6.624 5.449 -1.792 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.334 5.707 -0.533 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.938 6.445 -0.591 1.00 0.00 H new ATOM 62 N CYS A 5 -1.332 -1.947 -3.315 1.00 0.00 N ATOM 63 CA CYS A 5 0.005 -2.174 -2.884 1.00 0.00 C ATOM 64 C CYS A 5 0.995 -1.316 -3.618 1.00 0.00 C ATOM 65 O CYS A 5 0.782 -0.939 -4.774 1.00 0.00 O ATOM 66 CB CYS A 5 0.356 -3.651 -2.968 1.00 0.00 C ATOM 67 SG CYS A 5 -0.804 -4.740 -2.054 1.00 0.00 S ATOM 0 H CYS A 5 -1.548 -2.254 -4.263 1.00 0.00 H new ATOM 0 HA CYS A 5 0.066 -1.877 -1.837 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.373 -3.952 -4.016 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.363 -3.799 -2.577 1.00 0.00 H new ATOM 72 N LEU A 6 2.043 -0.974 -2.927 1.00 0.00 N ATOM 73 CA LEU A 6 3.108 -0.160 -3.465 1.00 0.00 C ATOM 74 C LEU A 6 4.423 -0.793 -3.100 1.00 0.00 C ATOM 75 O LEU A 6 4.488 -1.600 -2.177 1.00 0.00 O ATOM 76 CB LEU A 6 3.058 1.252 -2.867 1.00 0.00 C ATOM 77 CG LEU A 6 1.814 2.086 -3.163 1.00 0.00 C ATOM 78 CD1 LEU A 6 1.868 3.380 -2.387 1.00 0.00 C ATOM 79 CD2 LEU A 6 1.710 2.379 -4.647 1.00 0.00 C ATOM 0 H LEU A 6 2.190 -1.254 -1.957 1.00 0.00 H new ATOM 0 HA LEU A 6 2.996 -0.091 -4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.158 1.165 -1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.928 1.803 -3.225 1.00 0.00 H new ATOM 0 HG LEU A 6 0.934 1.519 -2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.978 3.971 -2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.910 3.163 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.755 3.942 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.817 2.974 -4.839 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.591 2.932 -4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.646 1.441 -5.199 1.00 0.00 H new ATOM 91 N CYS A 7 5.454 -0.461 -3.806 1.00 0.00 N ATOM 92 CA CYS A 7 6.764 -0.943 -3.466 1.00 0.00 C ATOM 93 C CYS A 7 7.719 0.223 -3.406 1.00 0.00 C ATOM 94 O CYS A 7 7.684 1.110 -4.269 1.00 0.00 O ATOM 95 CB CYS A 7 7.255 -2.027 -4.443 1.00 0.00 C ATOM 96 SG CYS A 7 6.147 -3.491 -4.603 1.00 0.00 S ATOM 0 H CYS A 7 5.420 0.144 -4.626 1.00 0.00 H new ATOM 0 HA CYS A 7 6.717 -1.419 -2.487 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.382 -1.577 -5.428 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.238 -2.368 -4.119 1.00 0.00 H new ATOM 101 N ARG A 8 8.494 0.263 -2.356 1.00 0.00 N ATOM 102 CA ARG A 8 9.493 1.285 -2.132 1.00 0.00 C ATOM 103 C ARG A 8 10.651 0.638 -1.421 1.00 0.00 C ATOM 104 O ARG A 8 10.427 -0.231 -0.609 1.00 0.00 O ATOM 105 CB ARG A 8 8.937 2.427 -1.255 1.00 0.00 C ATOM 106 CG ARG A 8 8.294 1.959 0.055 1.00 0.00 C ATOM 107 CD ARG A 8 8.184 3.084 1.067 1.00 0.00 C ATOM 108 NE ARG A 8 7.464 4.258 0.562 1.00 0.00 N ATOM 109 CZ ARG A 8 7.721 5.519 0.936 1.00 0.00 C ATOM 110 NH1 ARG A 8 8.690 5.774 1.812 1.00 0.00 N ATOM 111 NH2 ARG A 8 7.015 6.514 0.436 1.00 0.00 N ATOM 0 H ARG A 8 8.451 -0.431 -1.610 1.00 0.00 H new ATOM 0 HA ARG A 8 9.797 1.713 -3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.747 3.118 -1.022 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.198 2.985 -1.830 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.302 1.558 -0.151 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.884 1.146 0.479 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.677 2.712 1.958 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.186 3.386 1.373 1.00 0.00 H new ATOM 0 HE ARG A 8 6.719 4.105 -0.118 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.240 5.008 2.201 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.883 6.735 2.094 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.272 6.325 -0.237 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.212 7.473 0.722 1.00 0.00 H new ATOM 125 N ARG A 9 11.882 1.024 -1.746 1.00 0.00 N ATOM 126 CA ARG A 9 13.102 0.486 -1.074 1.00 0.00 C ATOM 127 C ARG A 9 13.302 -1.022 -1.397 1.00 0.00 C ATOM 128 O ARG A 9 14.146 -1.700 -0.812 1.00 0.00 O ATOM 129 CB ARG A 9 13.002 0.707 0.477 1.00 0.00 C ATOM 130 CG ARG A 9 14.249 0.358 1.281 1.00 0.00 C ATOM 131 CD ARG A 9 13.981 0.345 2.784 1.00 0.00 C ATOM 132 NE ARG A 9 13.069 -0.754 3.205 1.00 0.00 N ATOM 133 CZ ARG A 9 12.915 -1.173 4.488 1.00 0.00 C ATOM 134 NH1 ARG A 9 13.599 -0.583 5.458 1.00 0.00 N ATOM 135 NH2 ARG A 9 12.074 -2.170 4.793 1.00 0.00 N ATOM 0 H ARG A 9 12.081 1.711 -2.473 1.00 0.00 H new ATOM 0 HA ARG A 9 13.969 1.026 -1.455 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.756 1.753 0.660 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.171 0.113 0.856 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.617 -0.620 0.971 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.035 1.080 1.060 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.928 0.247 3.315 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.548 1.301 3.078 1.00 0.00 H new ATOM 0 HE ARG A 9 12.524 -1.223 2.482 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.237 0.182 5.239 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.487 -0.894 6.423 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.537 -2.627 4.056 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.971 -2.472 5.762 1.00 0.00 H new ATOM 149 N GLY A 10 12.538 -1.523 -2.343 1.00 0.00 N ATOM 150 CA GLY A 10 12.547 -2.946 -2.635 1.00 0.00 C ATOM 151 C GLY A 10 11.689 -3.689 -1.624 1.00 0.00 C ATOM 152 O GLY A 10 11.716 -4.921 -1.528 1.00 0.00 O ATOM 0 H GLY A 10 11.905 -0.972 -2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.170 -3.121 -3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.568 -3.325 -2.606 1.00 0.00 H new ATOM 156 N ASP A 11 10.935 -2.921 -0.882 1.00 0.00 N ATOM 157 CA ASP A 11 10.069 -3.383 0.171 1.00 0.00 C ATOM 158 C ASP A 11 8.638 -3.127 -0.259 1.00 0.00 C ATOM 159 O ASP A 11 8.212 -1.966 -0.389 1.00 0.00 O ATOM 160 CB ASP A 11 10.393 -2.586 1.458 1.00 0.00 C ATOM 161 CG ASP A 11 9.605 -2.984 2.692 1.00 0.00 C ATOM 162 OD1 ASP A 11 8.467 -2.512 2.883 1.00 0.00 O ATOM 163 OD2 ASP A 11 10.153 -3.699 3.546 1.00 0.00 O ATOM 0 H ASP A 11 10.907 -1.908 -1.001 1.00 0.00 H new ATOM 0 HA ASP A 11 10.210 -4.446 0.366 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.455 -2.698 1.675 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.218 -1.528 1.263 1.00 0.00 H new ATOM 168 N CYS A 12 7.918 -4.164 -0.556 1.00 0.00 N ATOM 169 CA CYS A 12 6.552 -3.992 -0.959 1.00 0.00 C ATOM 170 C CYS A 12 5.659 -3.906 0.235 1.00 0.00 C ATOM 171 O CYS A 12 5.841 -4.611 1.226 1.00 0.00 O ATOM 172 CB CYS A 12 6.106 -5.032 -1.964 1.00 0.00 C ATOM 173 SG CYS A 12 7.049 -4.972 -3.533 1.00 0.00 S ATOM 0 H CYS A 12 8.246 -5.129 -0.529 1.00 0.00 H new ATOM 0 HA CYS A 12 6.476 -3.041 -1.487 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.211 -6.023 -1.522 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.047 -4.889 -2.179 1.00 0.00 H new ATOM 178 N ARG A 13 4.737 -3.017 0.163 1.00 0.00 N ATOM 179 CA ARG A 13 3.910 -2.688 1.269 1.00 0.00 C ATOM 180 C ARG A 13 2.511 -2.433 0.768 1.00 0.00 C ATOM 181 O ARG A 13 2.327 -1.820 -0.283 1.00 0.00 O ATOM 182 CB ARG A 13 4.501 -1.436 1.907 1.00 0.00 C ATOM 183 CG ARG A 13 3.937 -1.034 3.249 1.00 0.00 C ATOM 184 CD ARG A 13 4.794 0.071 3.836 1.00 0.00 C ATOM 185 NE ARG A 13 6.206 -0.353 3.885 1.00 0.00 N ATOM 186 CZ ARG A 13 7.245 0.393 4.254 1.00 0.00 C ATOM 187 NH1 ARG A 13 7.072 1.644 4.699 1.00 0.00 N ATOM 188 NH2 ARG A 13 8.463 -0.122 4.160 1.00 0.00 N ATOM 0 H ARG A 13 4.531 -2.486 -0.683 1.00 0.00 H new ATOM 0 HA ARG A 13 3.865 -3.492 2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.575 -1.584 2.019 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.364 -0.604 1.216 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.908 -0.693 3.137 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.917 -1.892 3.921 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.698 0.974 3.234 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.446 0.318 4.839 1.00 0.00 H new ATOM 0 HE ARG A 13 6.406 -1.314 3.608 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.133 2.039 4.759 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.879 2.202 4.978 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.590 -1.072 3.811 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.274 0.432 4.437 1.00 0.00 H new ATOM 202 N CYS A 14 1.542 -2.898 1.471 1.00 0.00 N ATOM 203 CA CYS A 14 0.201 -2.699 1.039 1.00 0.00 C ATOM 204 C CYS A 14 -0.519 -1.722 1.924 1.00 0.00 C ATOM 205 O CYS A 14 -0.332 -1.698 3.146 1.00 0.00 O ATOM 206 CB CYS A 14 -0.567 -4.007 0.903 1.00 0.00 C ATOM 207 SG CYS A 14 0.154 -5.178 -0.312 1.00 0.00 S ATOM 0 H CYS A 14 1.648 -3.416 2.343 1.00 0.00 H new ATOM 0 HA CYS A 14 0.252 -2.266 0.040 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.611 -4.493 1.878 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.593 -3.784 0.612 1.00 0.00 H new ATOM 212 N ILE A 15 -1.294 -0.906 1.300 1.00 0.00 N ATOM 213 CA ILE A 15 -2.081 0.105 1.947 1.00 0.00 C ATOM 214 C ILE A 15 -3.539 -0.308 1.816 1.00 0.00 C ATOM 215 O ILE A 15 -4.007 -0.577 0.708 1.00 0.00 O ATOM 216 CB ILE A 15 -1.875 1.494 1.246 1.00 0.00 C ATOM 217 CG1 ILE A 15 -0.386 1.916 1.246 1.00 0.00 C ATOM 218 CG2 ILE A 15 -2.747 2.580 1.872 1.00 0.00 C ATOM 219 CD1 ILE A 15 0.232 2.086 2.626 1.00 0.00 C ATOM 0 H ILE A 15 -1.407 -0.918 0.286 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.785 0.202 2.992 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.189 1.374 0.209 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.188 1.170 0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.290 2.856 0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.575 3.526 1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.797 2.302 1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.493 2.688 2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.276 2.382 2.523 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.311 2.855 3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.174 1.143 3.169 1.00 0.00 H new ATOM 231 N CYS A 16 -4.238 -0.397 2.900 1.00 0.00 N ATOM 232 CA CYS A 16 -5.624 -0.778 2.844 1.00 0.00 C ATOM 233 C CYS A 16 -6.483 0.354 3.307 1.00 0.00 C ATOM 234 O CYS A 16 -6.272 0.919 4.383 1.00 0.00 O ATOM 235 CB CYS A 16 -5.914 -2.029 3.650 1.00 0.00 C ATOM 236 SG CYS A 16 -4.917 -3.492 3.172 1.00 0.00 S ATOM 0 H CYS A 16 -3.879 -0.213 3.837 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.857 -1.011 1.805 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.739 -1.815 4.704 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -6.971 -2.276 3.546 1.00 0.00 H new ATOM 241 N THR A 17 -7.427 0.672 2.504 1.00 0.00 N ATOM 242 CA THR A 17 -8.324 1.764 2.719 1.00 0.00 C ATOM 243 C THR A 17 -9.489 1.611 1.761 1.00 0.00 C ATOM 244 O THR A 17 -9.339 0.996 0.695 1.00 0.00 O ATOM 245 CB THR A 17 -7.597 3.133 2.503 1.00 0.00 C ATOM 246 OG1 THR A 17 -8.490 4.244 2.689 1.00 0.00 O ATOM 247 CG2 THR A 17 -6.934 3.216 1.128 1.00 0.00 C ATOM 0 H THR A 17 -7.611 0.163 1.640 1.00 0.00 H new ATOM 0 HA THR A 17 -8.686 1.753 3.747 1.00 0.00 H new ATOM 0 HB THR A 17 -6.815 3.190 3.261 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.003 5.083 2.548 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.441 4.182 1.020 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.196 2.419 1.031 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.691 3.106 0.352 1.00 0.00 H new ATOM 255 N ARG A 18 -10.648 2.103 2.166 1.00 0.00 N ATOM 256 CA ARG A 18 -11.886 2.056 1.392 1.00 0.00 C ATOM 257 C ARG A 18 -12.347 0.585 1.215 1.00 0.00 C ATOM 258 O ARG A 18 -13.136 0.254 0.327 1.00 0.00 O ATOM 259 CB ARG A 18 -11.664 2.737 0.031 1.00 0.00 C ATOM 260 CG ARG A 18 -12.915 3.143 -0.699 1.00 0.00 C ATOM 261 CD ARG A 18 -12.580 3.629 -2.106 1.00 0.00 C ATOM 262 NE ARG A 18 -11.516 4.659 -2.103 1.00 0.00 N ATOM 263 CZ ARG A 18 -10.756 4.979 -3.171 1.00 0.00 C ATOM 264 NH1 ARG A 18 -11.015 4.443 -4.360 1.00 0.00 N ATOM 265 NH2 ARG A 18 -9.742 5.846 -3.045 1.00 0.00 N ATOM 0 H ARG A 18 -10.761 2.561 3.070 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.673 2.592 1.923 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.049 3.624 0.184 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.095 2.060 -0.606 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.601 2.298 -0.754 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.425 3.933 -0.147 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.262 2.783 -2.715 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.477 4.037 -2.571 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.346 5.162 -1.232 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.790 3.788 -4.466 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.439 4.687 -5.166 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.541 6.268 -2.138 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.171 6.084 -3.856 1.00 0.00 H new TER 279 ARG A 18