USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 132 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= -0.198 (180deg=-0.198) USER MOD Single : A 17 THR OG1 : rot 180:sc=-0.00496 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.218 -2.007 0.512 1.00 0.00 N ATOM 2 CA GLY A 1 -12.186 -3.447 0.408 1.00 0.00 C ATOM 3 C GLY A 1 -11.220 -3.926 -0.658 1.00 0.00 C ATOM 4 O GLY A 1 -10.984 -5.125 -0.803 1.00 0.00 O ATOM 0 H2 GLY A 1 -12.892 -1.727 1.253 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.901 -3.872 1.370 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.186 -3.815 0.180 1.00 0.00 H new ATOM 8 N ASP A 2 -10.648 -2.999 -1.393 1.00 0.00 N ATOM 9 CA ASP A 2 -9.726 -3.323 -2.458 1.00 0.00 C ATOM 10 C ASP A 2 -8.338 -3.067 -1.975 1.00 0.00 C ATOM 11 O ASP A 2 -8.050 -1.995 -1.433 1.00 0.00 O ATOM 12 CB ASP A 2 -10.016 -2.479 -3.705 1.00 0.00 C ATOM 13 CG ASP A 2 -9.132 -2.827 -4.887 1.00 0.00 C ATOM 14 OD1 ASP A 2 -9.309 -3.927 -5.467 1.00 0.00 O ATOM 15 OD2 ASP A 2 -8.291 -1.990 -5.296 1.00 0.00 O ATOM 0 H ASP A 2 -10.809 -1.999 -1.269 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.841 -4.372 -2.732 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.060 -2.612 -3.990 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.884 -1.425 -3.460 1.00 0.00 H new ATOM 20 N CYS A 3 -7.491 -4.024 -2.110 1.00 0.00 N ATOM 21 CA CYS A 3 -6.165 -3.860 -1.637 1.00 0.00 C ATOM 22 C CYS A 3 -5.246 -3.471 -2.743 1.00 0.00 C ATOM 23 O CYS A 3 -5.181 -4.114 -3.785 1.00 0.00 O ATOM 24 CB CYS A 3 -5.684 -5.068 -0.880 1.00 0.00 C ATOM 25 SG CYS A 3 -6.776 -5.515 0.526 1.00 0.00 S ATOM 0 H CYS A 3 -7.692 -4.926 -2.543 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.166 -3.038 -0.921 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.616 -5.915 -1.563 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.678 -4.879 -0.506 1.00 0.00 H new ATOM 30 N ARG A 4 -4.568 -2.410 -2.512 1.00 0.00 N ATOM 31 CA ARG A 4 -3.659 -1.815 -3.456 1.00 0.00 C ATOM 32 C ARG A 4 -2.268 -2.015 -2.924 1.00 0.00 C ATOM 33 O ARG A 4 -1.995 -1.713 -1.753 1.00 0.00 O ATOM 34 CB ARG A 4 -3.948 -0.315 -3.579 1.00 0.00 C ATOM 35 CG ARG A 4 -5.372 0.021 -4.003 1.00 0.00 C ATOM 36 CD ARG A 4 -5.614 1.522 -3.984 1.00 0.00 C ATOM 37 NE ARG A 4 -4.772 2.246 -4.956 1.00 0.00 N ATOM 38 CZ ARG A 4 -4.468 3.561 -4.895 1.00 0.00 C ATOM 39 NH1 ARG A 4 -4.787 4.277 -3.819 1.00 0.00 N ATOM 40 NH2 ARG A 4 -3.804 4.143 -5.891 1.00 0.00 N ATOM 0 H ARG A 4 -4.623 -1.901 -1.630 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.771 -2.272 -4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -3.746 0.161 -2.619 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.256 0.118 -4.301 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.557 -0.367 -5.005 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.079 -0.472 -3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -6.664 1.720 -4.201 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -5.417 1.905 -2.983 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.389 1.711 -5.736 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.264 3.833 -3.034 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.555 5.269 -3.779 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.523 3.596 -6.705 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.577 5.136 -5.841 1.00 0.00 H new ATOM 54 N CYS A 5 -1.402 -2.533 -3.717 1.00 0.00 N ATOM 55 CA CYS A 5 -0.083 -2.774 -3.245 1.00 0.00 C ATOM 56 C CYS A 5 0.879 -1.737 -3.717 1.00 0.00 C ATOM 57 O CYS A 5 0.936 -1.392 -4.896 1.00 0.00 O ATOM 58 CB CYS A 5 0.398 -4.176 -3.539 1.00 0.00 C ATOM 59 SG CYS A 5 -0.663 -5.485 -2.818 1.00 0.00 S ATOM 0 H CYS A 5 -1.577 -2.797 -4.687 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.129 -2.693 -2.159 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.448 -4.315 -4.619 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.412 -4.291 -3.156 1.00 0.00 H new ATOM 64 N LEU A 6 1.579 -1.221 -2.787 1.00 0.00 N ATOM 65 CA LEU A 6 2.561 -0.211 -3.017 1.00 0.00 C ATOM 66 C LEU A 6 3.921 -0.815 -2.781 1.00 0.00 C ATOM 67 O LEU A 6 4.222 -1.257 -1.675 1.00 0.00 O ATOM 68 CB LEU A 6 2.353 0.955 -2.044 1.00 0.00 C ATOM 69 CG LEU A 6 3.350 2.111 -2.152 1.00 0.00 C ATOM 70 CD1 LEU A 6 3.189 2.860 -3.465 1.00 0.00 C ATOM 71 CD2 LEU A 6 3.218 3.047 -0.968 1.00 0.00 C ATOM 0 H LEU A 6 1.491 -1.491 -1.807 1.00 0.00 H new ATOM 0 HA LEU A 6 2.476 0.162 -4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.350 1.353 -2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.391 0.564 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 6 4.355 1.689 -2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.912 3.675 -3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.360 2.177 -4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.180 3.266 -3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.936 3.861 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.208 3.456 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.415 2.498 -0.047 1.00 0.00 H new ATOM 83 N CYS A 7 4.719 -0.869 -3.783 1.00 0.00 N ATOM 84 CA CYS A 7 6.041 -1.395 -3.616 1.00 0.00 C ATOM 85 C CYS A 7 7.054 -0.290 -3.855 1.00 0.00 C ATOM 86 O CYS A 7 7.036 0.361 -4.909 1.00 0.00 O ATOM 87 CB CYS A 7 6.313 -2.573 -4.561 1.00 0.00 C ATOM 88 SG CYS A 7 5.245 -4.036 -4.316 1.00 0.00 S ATOM 0 H CYS A 7 4.490 -0.559 -4.728 1.00 0.00 H new ATOM 0 HA CYS A 7 6.131 -1.770 -2.597 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.197 -2.227 -5.588 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.352 -2.879 -4.443 1.00 0.00 H new ATOM 93 N ARG A 8 7.896 -0.042 -2.879 1.00 0.00 N ATOM 94 CA ARG A 8 8.921 0.969 -3.006 1.00 0.00 C ATOM 95 C ARG A 8 10.267 0.425 -2.595 1.00 0.00 C ATOM 96 O ARG A 8 10.469 0.032 -1.435 1.00 0.00 O ATOM 97 CB ARG A 8 8.585 2.247 -2.215 1.00 0.00 C ATOM 98 CG ARG A 8 7.415 3.047 -2.780 1.00 0.00 C ATOM 99 CD ARG A 8 7.147 4.307 -1.978 1.00 0.00 C ATOM 100 NE ARG A 8 6.044 5.101 -2.540 1.00 0.00 N ATOM 101 CZ ARG A 8 5.362 6.051 -1.881 1.00 0.00 C ATOM 102 NH1 ARG A 8 5.699 6.375 -0.637 1.00 0.00 N ATOM 103 NH2 ARG A 8 4.353 6.686 -2.478 1.00 0.00 N ATOM 0 H ARG A 8 7.891 -0.529 -1.983 1.00 0.00 H new ATOM 0 HA ARG A 8 8.964 1.246 -4.059 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.359 1.973 -1.185 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.468 2.886 -2.188 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.625 3.314 -3.816 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.520 2.425 -2.787 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.910 4.037 -0.949 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.051 4.915 -1.948 1.00 0.00 H new ATOM 0 HE ARG A 8 5.776 4.915 -3.507 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.478 5.901 -0.180 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.179 7.097 -0.139 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.098 6.450 -3.437 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.836 7.408 -1.976 1.00 0.00 H new ATOM 117 N ARG A 9 11.152 0.322 -3.578 1.00 0.00 N ATOM 118 CA ARG A 9 12.563 -0.074 -3.413 1.00 0.00 C ATOM 119 C ARG A 9 12.712 -1.471 -2.831 1.00 0.00 C ATOM 120 O ARG A 9 13.724 -1.800 -2.196 1.00 0.00 O ATOM 121 CB ARG A 9 13.328 0.934 -2.563 1.00 0.00 C ATOM 122 CG ARG A 9 13.290 2.368 -3.081 1.00 0.00 C ATOM 123 CD ARG A 9 13.778 2.488 -4.524 1.00 0.00 C ATOM 124 NE ARG A 9 15.148 1.991 -4.699 1.00 0.00 N ATOM 125 CZ ARG A 9 16.023 2.446 -5.599 1.00 0.00 C ATOM 126 NH1 ARG A 9 15.719 3.482 -6.391 1.00 0.00 N ATOM 127 NH2 ARG A 9 17.208 1.869 -5.694 1.00 0.00 N ATOM 0 H ARG A 9 10.909 0.516 -4.549 1.00 0.00 H new ATOM 0 HA ARG A 9 12.994 -0.087 -4.414 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.922 0.917 -1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.368 0.615 -2.494 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.270 2.747 -3.014 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.907 2.998 -2.440 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.107 1.931 -5.178 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.732 3.532 -4.834 1.00 0.00 H new ATOM 0 HE ARG A 9 15.456 1.238 -4.084 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.809 3.935 -6.311 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.398 3.818 -7.074 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.444 1.086 -5.084 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.886 2.206 -6.377 1.00 0.00 H new ATOM 141 N GLY A 10 11.715 -2.269 -3.031 1.00 0.00 N ATOM 142 CA GLY A 10 11.742 -3.614 -2.567 1.00 0.00 C ATOM 143 C GLY A 10 10.703 -3.877 -1.523 1.00 0.00 C ATOM 144 O GLY A 10 10.247 -5.009 -1.374 1.00 0.00 O ATOM 0 H GLY A 10 10.860 -2.006 -3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.587 -4.289 -3.409 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.728 -3.835 -2.158 1.00 0.00 H new ATOM 148 N ASP A 11 10.303 -2.844 -0.810 1.00 0.00 N ATOM 149 CA ASP A 11 9.323 -2.989 0.259 1.00 0.00 C ATOM 150 C ASP A 11 7.921 -2.930 -0.283 1.00 0.00 C ATOM 151 O ASP A 11 7.459 -1.867 -0.724 1.00 0.00 O ATOM 152 CB ASP A 11 9.515 -1.919 1.348 1.00 0.00 C ATOM 153 CG ASP A 11 8.447 -1.969 2.439 1.00 0.00 C ATOM 154 OD1 ASP A 11 8.341 -2.995 3.147 1.00 0.00 O ATOM 155 OD2 ASP A 11 7.725 -0.967 2.640 1.00 0.00 O ATOM 0 H ASP A 11 10.639 -1.891 -0.948 1.00 0.00 H new ATOM 0 HA ASP A 11 9.481 -3.968 0.712 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.497 -2.047 1.804 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.505 -0.933 0.884 1.00 0.00 H new ATOM 160 N CYS A 12 7.264 -4.061 -0.313 1.00 0.00 N ATOM 161 CA CYS A 12 5.896 -4.093 -0.728 1.00 0.00 C ATOM 162 C CYS A 12 4.996 -4.017 0.435 1.00 0.00 C ATOM 163 O CYS A 12 5.122 -4.763 1.408 1.00 0.00 O ATOM 164 CB CYS A 12 5.545 -5.275 -1.585 1.00 0.00 C ATOM 165 SG CYS A 12 6.386 -5.301 -3.192 1.00 0.00 S ATOM 0 H CYS A 12 7.657 -4.966 -0.055 1.00 0.00 H new ATOM 0 HA CYS A 12 5.758 -3.213 -1.356 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.791 -6.188 -1.044 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.468 -5.283 -1.751 1.00 0.00 H new ATOM 170 N ARG A 13 4.133 -3.102 0.347 1.00 0.00 N ATOM 171 CA ARG A 13 3.150 -2.848 1.369 1.00 0.00 C ATOM 172 C ARG A 13 1.774 -2.796 0.734 1.00 0.00 C ATOM 173 O ARG A 13 1.526 -1.983 -0.152 1.00 0.00 O ATOM 174 CB ARG A 13 3.452 -1.519 2.069 1.00 0.00 C ATOM 175 CG ARG A 13 2.536 -1.194 3.242 1.00 0.00 C ATOM 176 CD ARG A 13 2.698 -2.203 4.365 1.00 0.00 C ATOM 177 NE ARG A 13 1.849 -1.892 5.514 1.00 0.00 N ATOM 178 CZ ARG A 13 2.288 -1.676 6.761 1.00 0.00 C ATOM 179 NH1 ARG A 13 3.595 -1.592 7.014 1.00 0.00 N ATOM 180 NH2 ARG A 13 1.413 -1.502 7.746 1.00 0.00 N ATOM 0 H ARG A 13 4.065 -2.473 -0.453 1.00 0.00 H new ATOM 0 HA ARG A 13 3.181 -3.648 2.109 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.482 -1.537 2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.382 -0.714 1.337 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.759 -0.194 3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.499 -1.185 2.905 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.454 -3.199 3.994 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.741 -2.227 4.682 1.00 0.00 H new ATOM 0 HE ARG A 13 0.843 -1.835 5.353 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.269 -1.692 6.255 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.921 -1.427 7.967 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.412 -1.533 7.551 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.742 -1.337 8.697 1.00 0.00 H new ATOM 194 N CYS A 14 0.902 -3.657 1.147 1.00 0.00 N ATOM 195 CA CYS A 14 -0.419 -3.660 0.597 1.00 0.00 C ATOM 196 C CYS A 14 -1.390 -2.968 1.525 1.00 0.00 C ATOM 197 O CYS A 14 -1.611 -3.394 2.661 1.00 0.00 O ATOM 198 CB CYS A 14 -0.875 -5.066 0.220 1.00 0.00 C ATOM 199 SG CYS A 14 0.199 -5.893 -1.020 1.00 0.00 S ATOM 0 H CYS A 14 1.077 -4.365 1.860 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.396 -3.090 -0.332 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.911 -5.679 1.121 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.891 -5.015 -0.171 1.00 0.00 H new ATOM 204 N ILE A 15 -1.934 -1.888 1.055 1.00 0.00 N ATOM 205 CA ILE A 15 -2.864 -1.094 1.838 1.00 0.00 C ATOM 206 C ILE A 15 -4.255 -1.302 1.262 1.00 0.00 C ATOM 207 O ILE A 15 -4.413 -1.388 0.042 1.00 0.00 O ATOM 208 CB ILE A 15 -2.484 0.417 1.803 1.00 0.00 C ATOM 209 CG1 ILE A 15 -1.019 0.604 2.259 1.00 0.00 C ATOM 210 CG2 ILE A 15 -3.425 1.221 2.699 1.00 0.00 C ATOM 211 CD1 ILE A 15 -0.513 2.033 2.169 1.00 0.00 C ATOM 0 H ILE A 15 -1.754 -1.522 0.120 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.830 -1.411 2.880 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.584 0.782 0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.925 0.262 3.290 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.378 -0.035 1.652 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.148 2.275 2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.450 1.104 2.348 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.349 0.859 3.724 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.522 2.074 2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.571 2.375 1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.127 2.677 2.799 1.00 0.00 H new ATOM 223 N CYS A 16 -5.242 -1.414 2.094 1.00 0.00 N ATOM 224 CA CYS A 16 -6.563 -1.681 1.606 1.00 0.00 C ATOM 225 C CYS A 16 -7.474 -0.490 1.774 1.00 0.00 C ATOM 226 O CYS A 16 -7.424 0.224 2.782 1.00 0.00 O ATOM 227 CB CYS A 16 -7.136 -2.954 2.237 1.00 0.00 C ATOM 228 SG CYS A 16 -6.033 -4.426 2.078 1.00 0.00 S ATOM 0 H CYS A 16 -5.163 -1.326 3.107 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.493 -1.861 0.533 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.330 -2.769 3.294 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.096 -3.179 1.772 1.00 0.00 H new ATOM 233 N THR A 17 -8.252 -0.232 0.757 1.00 0.00 N ATOM 234 CA THR A 17 -9.196 0.849 0.750 1.00 0.00 C ATOM 235 C THR A 17 -10.423 0.400 -0.033 1.00 0.00 C ATOM 236 O THR A 17 -10.292 -0.178 -1.112 1.00 0.00 O ATOM 237 CB THR A 17 -8.579 2.083 0.079 1.00 0.00 C ATOM 238 OG1 THR A 17 -7.320 2.395 0.711 1.00 0.00 O ATOM 239 CG2 THR A 17 -9.496 3.296 0.170 1.00 0.00 C ATOM 0 H THR A 17 -8.246 -0.778 -0.104 1.00 0.00 H new ATOM 0 HA THR A 17 -9.471 1.112 1.772 1.00 0.00 H new ATOM 0 HB THR A 17 -8.431 1.848 -0.975 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.925 3.182 0.282 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.022 4.148 -0.317 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.442 3.075 -0.325 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.682 3.534 1.217 1.00 0.00 H new ATOM 247 N ARG A 18 -11.595 0.629 0.536 1.00 0.00 N ATOM 248 CA ARG A 18 -12.892 0.226 -0.045 1.00 0.00 C ATOM 249 C ARG A 18 -12.956 -1.281 -0.281 1.00 0.00 C ATOM 250 O ARG A 18 -13.627 -1.760 -1.205 1.00 0.00 O ATOM 251 CB ARG A 18 -13.149 0.958 -1.337 1.00 0.00 C ATOM 252 CG ARG A 18 -13.285 2.448 -1.180 1.00 0.00 C ATOM 253 CD ARG A 18 -13.408 3.130 -2.516 1.00 0.00 C ATOM 254 NE ARG A 18 -13.568 4.568 -2.355 1.00 0.00 N ATOM 255 CZ ARG A 18 -12.962 5.500 -3.086 1.00 0.00 C ATOM 256 NH1 ARG A 18 -12.045 5.159 -3.998 1.00 0.00 N ATOM 257 NH2 ARG A 18 -13.242 6.773 -2.872 1.00 0.00 N ATOM 0 H ARG A 18 -11.687 1.108 1.432 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.666 0.492 0.675 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.334 0.749 -2.029 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.060 0.566 -1.790 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.161 2.673 -0.572 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.419 2.840 -0.648 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.522 2.924 -3.116 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.262 2.724 -3.058 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.198 4.888 -1.619 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.805 4.178 -4.138 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.586 5.880 -4.554 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.917 7.033 -2.152 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.784 7.496 -3.426 1.00 0.00 H new TER 271 ARG A 18