USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 266 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 Single : A 1 GLY N :NH3+ -136:sc= 0.0372 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 167:sc= -0.0127 (180deg=-0.154) USER MOD Single : A 10 HIS : no HD1:sc= -0.375 X(o=-0.37,f=0.0027) USER MOD Single : A 12 LYS NZ :NH3+ -105:sc= 1.29 (180deg=-0.298) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00415 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0637 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.360 11.397 -1.630 1.00 0.00 N ATOM 2 CA GLY A 1 9.341 11.328 -2.707 1.00 0.00 C ATOM 3 C GLY A 1 7.967 11.052 -2.144 1.00 0.00 C ATOM 4 O GLY A 1 7.654 11.509 -1.048 1.00 0.00 O ATOM 0 H1 GLY A 1 10.989 12.208 -1.798 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.887 11.511 -0.711 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.920 10.520 -1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.328 12.268 -3.259 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.610 10.545 -3.416 1.00 0.00 H new ATOM 10 N LEU A 2 7.160 10.299 -2.878 1.00 0.00 N ATOM 11 CA LEU A 2 5.816 9.956 -2.430 1.00 0.00 C ATOM 12 C LEU A 2 5.884 8.957 -1.279 1.00 0.00 C ATOM 13 O LEU A 2 6.688 8.027 -1.302 1.00 0.00 O ATOM 14 CB LEU A 2 4.982 9.378 -3.580 1.00 0.00 C ATOM 15 CG LEU A 2 4.519 10.381 -4.646 1.00 0.00 C ATOM 16 CD1 LEU A 2 5.678 10.830 -5.524 1.00 0.00 C ATOM 17 CD2 LEU A 2 3.412 9.774 -5.494 1.00 0.00 C ATOM 0 H LEU A 2 7.412 9.913 -3.788 1.00 0.00 H new ATOM 0 HA LEU A 2 5.331 10.869 -2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.567 8.600 -4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.101 8.895 -3.157 1.00 0.00 H new ATOM 0 HG LEU A 2 4.129 11.261 -4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 2 5.317 11.540 -6.268 1.00 0.00 H new ATOM 0 HD12 LEU A 2 6.439 11.308 -4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.110 9.965 -6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 2 3.093 10.495 -6.246 1.00 0.00 H new ATOM 0 HD22 LEU A 2 3.783 8.876 -5.987 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.566 9.515 -4.857 1.00 0.00 H new ATOM 29 N LEU A 3 5.045 9.166 -0.275 1.00 0.00 N ATOM 30 CA LEU A 3 5.005 8.294 0.895 1.00 0.00 C ATOM 31 C LEU A 3 4.170 7.041 0.620 1.00 0.00 C ATOM 32 O LEU A 3 3.181 6.776 1.303 1.00 0.00 O ATOM 33 CB LEU A 3 4.462 9.046 2.125 1.00 0.00 C ATOM 34 CG LEU A 3 3.045 9.632 1.999 1.00 0.00 C ATOM 35 CD1 LEU A 3 2.455 9.878 3.378 1.00 0.00 C ATOM 36 CD2 LEU A 3 3.057 10.931 1.204 1.00 0.00 C ATOM 0 H LEU A 3 4.378 9.937 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 3 6.027 7.981 1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.475 8.364 2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.149 9.860 2.358 1.00 0.00 H new ATOM 0 HG LEU A 3 2.428 8.909 1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.452 10.293 3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.404 8.937 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.085 10.581 3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.042 11.322 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.692 11.660 1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.446 10.742 0.203 1.00 0.00 H new ATOM 48 N CYS A 4 4.567 6.276 -0.382 1.00 0.00 N ATOM 49 CA CYS A 4 3.853 5.063 -0.738 1.00 0.00 C ATOM 50 C CYS A 4 4.377 3.889 0.069 1.00 0.00 C ATOM 51 O CYS A 4 5.537 3.868 0.485 1.00 0.00 O ATOM 52 CB CYS A 4 3.998 4.767 -2.225 1.00 0.00 C ATOM 53 SG CYS A 4 3.814 6.224 -3.303 1.00 0.00 S ATOM 0 H CYS A 4 5.381 6.474 -0.964 1.00 0.00 H new ATOM 0 HA CYS A 4 2.797 5.213 -0.512 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.977 4.321 -2.401 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.254 4.023 -2.509 1.00 0.00 H new ATOM 58 N TYR A 5 3.509 2.925 0.302 1.00 0.00 N ATOM 59 CA TYR A 5 3.858 1.744 1.082 1.00 0.00 C ATOM 60 C TYR A 5 3.259 0.476 0.491 1.00 0.00 C ATOM 61 O TYR A 5 2.175 0.498 -0.091 1.00 0.00 O ATOM 62 CB TYR A 5 3.361 1.881 2.527 1.00 0.00 C ATOM 63 CG TYR A 5 4.120 2.889 3.367 1.00 0.00 C ATOM 64 CD1 TYR A 5 3.826 4.246 3.302 1.00 0.00 C ATOM 65 CD2 TYR A 5 5.120 2.476 4.238 1.00 0.00 C ATOM 66 CE1 TYR A 5 4.510 5.162 4.077 1.00 0.00 C ATOM 67 CE2 TYR A 5 5.806 3.386 5.019 1.00 0.00 C ATOM 68 CZ TYR A 5 5.498 4.728 4.933 1.00 0.00 C ATOM 69 OH TYR A 5 6.179 5.637 5.710 1.00 0.00 O ATOM 0 H TYR A 5 2.548 2.933 -0.039 1.00 0.00 H new ATOM 0 HA TYR A 5 4.945 1.669 1.061 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.308 2.163 2.509 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.422 0.906 3.011 1.00 0.00 H new ATOM 0 HD1 TYR A 5 3.050 4.590 2.634 1.00 0.00 H new ATOM 0 HD2 TYR A 5 5.365 1.426 4.306 1.00 0.00 H new ATOM 0 HE1 TYR A 5 4.271 6.213 4.012 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.579 3.049 5.693 1.00 0.00 H new ATOM 0 HH TYR A 5 6.842 5.167 6.258 1.00 0.00 H new ATOM 79 N CYS A 6 3.967 -0.629 0.682 1.00 0.00 N ATOM 80 CA CYS A 6 3.507 -1.931 0.221 1.00 0.00 C ATOM 81 C CYS A 6 2.559 -2.521 1.245 1.00 0.00 C ATOM 82 O CYS A 6 2.851 -2.522 2.443 1.00 0.00 O ATOM 83 CB CYS A 6 4.672 -2.900 0.022 1.00 0.00 C ATOM 84 SG CYS A 6 5.770 -2.500 -1.372 1.00 0.00 S ATOM 0 H CYS A 6 4.869 -0.648 1.157 1.00 0.00 H new ATOM 0 HA CYS A 6 3.005 -1.788 -0.736 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.264 -2.926 0.937 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.271 -3.903 -0.126 1.00 0.00 H new ATOM 89 N ARG A 7 1.434 -3.016 0.783 1.00 0.00 N ATOM 90 CA ARG A 7 0.451 -3.609 1.675 1.00 0.00 C ATOM 91 C ARG A 7 -0.112 -4.879 1.069 1.00 0.00 C ATOM 92 O ARG A 7 -0.315 -4.969 -0.139 1.00 0.00 O ATOM 93 CB ARG A 7 -0.673 -2.626 1.994 1.00 0.00 C ATOM 94 CG ARG A 7 -0.160 -1.266 2.429 1.00 0.00 C ATOM 95 CD ARG A 7 -1.232 -0.441 3.109 1.00 0.00 C ATOM 96 NE ARG A 7 -0.765 0.913 3.407 1.00 0.00 N ATOM 97 CZ ARG A 7 0.184 1.223 4.289 1.00 0.00 C ATOM 98 NH1 ARG A 7 0.772 0.276 5.015 1.00 0.00 N ATOM 99 NH2 ARG A 7 0.531 2.495 4.449 1.00 0.00 N ATOM 0 H ARG A 7 1.172 -3.022 -0.203 1.00 0.00 H new ATOM 0 HA ARG A 7 0.953 -3.857 2.610 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.305 -2.506 1.114 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.300 -3.042 2.783 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.681 -1.398 3.110 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.215 -0.726 1.560 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.113 -0.390 2.469 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.538 -0.932 4.033 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.201 1.682 2.898 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.497 -0.700 4.899 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.497 0.525 5.687 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.072 3.222 3.900 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.256 2.745 5.121 1.00 0.00 H new ATOM 113 N LYS A 8 -0.331 -5.864 1.915 1.00 0.00 N ATOM 114 CA LYS A 8 -0.841 -7.147 1.474 1.00 0.00 C ATOM 115 C LYS A 8 -2.362 -7.158 1.333 1.00 0.00 C ATOM 116 O LYS A 8 -3.094 -6.735 2.230 1.00 0.00 O ATOM 117 CB LYS A 8 -0.370 -8.270 2.418 1.00 0.00 C ATOM 118 CG LYS A 8 -0.281 -7.881 3.895 1.00 0.00 C ATOM 119 CD LYS A 8 -1.643 -7.847 4.576 1.00 0.00 C ATOM 120 CE LYS A 8 -2.282 -9.227 4.637 1.00 0.00 C ATOM 121 NZ LYS A 8 -1.498 -10.170 5.482 1.00 0.00 N ATOM 0 H LYS A 8 -0.163 -5.800 2.919 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.433 -7.327 0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.052 -9.115 2.321 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.611 -8.613 2.089 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.363 -8.590 4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.188 -6.901 3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.534 -7.453 5.586 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.301 -7.166 4.037 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.294 -9.141 5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.369 -9.631 3.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.068 -11.017 5.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.629 -10.445 4.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.248 -9.707 6.379 1.00 0.00 H new ATOM 135 N GLY A 9 -2.819 -7.670 0.203 1.00 0.00 N ATOM 136 CA GLY A 9 -4.242 -7.779 -0.057 1.00 0.00 C ATOM 137 C GLY A 9 -4.883 -6.519 -0.600 1.00 0.00 C ATOM 138 O GLY A 9 -5.568 -6.565 -1.620 1.00 0.00 O ATOM 0 H GLY A 9 -2.224 -8.017 -0.549 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.407 -8.590 -0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.747 -8.058 0.868 1.00 0.00 H new ATOM 142 N HIS A 10 -4.684 -5.399 0.078 1.00 0.00 N ATOM 143 CA HIS A 10 -5.279 -4.138 -0.359 1.00 0.00 C ATOM 144 C HIS A 10 -4.722 -2.946 0.406 1.00 0.00 C ATOM 145 O HIS A 10 -4.141 -3.095 1.482 1.00 0.00 O ATOM 146 CB HIS A 10 -6.813 -4.168 -0.225 1.00 0.00 C ATOM 147 CG HIS A 10 -7.334 -4.458 1.158 1.00 0.00 C ATOM 148 ND1 HIS A 10 -8.679 -4.607 1.433 1.00 0.00 N ATOM 149 CD2 HIS A 10 -6.696 -4.622 2.346 1.00 0.00 C ATOM 150 CE1 HIS A 10 -8.841 -4.848 2.722 1.00 0.00 C ATOM 151 NE2 HIS A 10 -7.655 -4.862 3.297 1.00 0.00 N ATOM 0 H HIS A 10 -4.121 -5.333 0.926 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.015 -4.021 -1.410 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.208 -3.205 -0.550 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.206 -4.921 -0.908 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -5.630 -4.573 2.511 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -9.786 -5.007 3.220 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -7.479 -5.025 4.288 1.00 0.00 H new ATOM 160 N CYS A 11 -4.918 -1.773 -0.172 1.00 0.00 N ATOM 161 CA CYS A 11 -4.460 -0.521 0.409 1.00 0.00 C ATOM 162 C CYS A 11 -5.371 -0.064 1.538 1.00 0.00 C ATOM 163 O CYS A 11 -6.490 -0.566 1.697 1.00 0.00 O ATOM 164 CB CYS A 11 -4.429 0.565 -0.668 1.00 0.00 C ATOM 165 SG CYS A 11 -3.725 0.005 -2.247 1.00 0.00 S ATOM 0 H CYS A 11 -5.402 -1.661 -1.063 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.461 -0.688 0.813 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.444 0.924 -0.839 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.849 1.412 -0.301 1.00 0.00 H new ATOM 170 N LYS A 12 -4.898 0.921 2.285 1.00 0.00 N ATOM 171 CA LYS A 12 -5.665 1.512 3.367 1.00 0.00 C ATOM 172 C LYS A 12 -6.794 2.328 2.750 1.00 0.00 C ATOM 173 O LYS A 12 -6.669 2.768 1.605 1.00 0.00 O ATOM 174 CB LYS A 12 -4.743 2.405 4.207 1.00 0.00 C ATOM 175 CG LYS A 12 -5.439 3.244 5.268 1.00 0.00 C ATOM 176 CD LYS A 12 -4.704 4.563 5.477 1.00 0.00 C ATOM 177 CE LYS A 12 -3.240 4.345 5.832 1.00 0.00 C ATOM 178 NZ LYS A 12 -2.376 5.459 5.349 1.00 0.00 N ATOM 0 H LYS A 12 -3.973 1.332 2.158 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.084 0.745 4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.001 1.774 4.696 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.202 3.073 3.537 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.468 3.439 4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.480 2.692 6.207 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.772 5.165 4.571 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.190 5.128 6.272 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.139 4.251 6.913 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.898 3.406 5.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.840 5.146 4.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.970 6.274 5.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.714 5.736 6.101 1.00 0.00 H new ATOM 192 N ARG A 13 -7.883 2.525 3.490 1.00 0.00 N ATOM 193 CA ARG A 13 -9.030 3.294 3.002 1.00 0.00 C ATOM 194 C ARG A 13 -8.667 4.763 2.776 1.00 0.00 C ATOM 195 O ARG A 13 -9.103 5.644 3.514 1.00 0.00 O ATOM 196 CB ARG A 13 -10.198 3.189 3.985 1.00 0.00 C ATOM 197 CG ARG A 13 -10.906 1.847 3.945 1.00 0.00 C ATOM 198 CD ARG A 13 -11.590 1.623 2.604 1.00 0.00 C ATOM 199 NE ARG A 13 -12.607 2.644 2.332 1.00 0.00 N ATOM 200 CZ ARG A 13 -13.317 2.707 1.206 1.00 0.00 C ATOM 201 NH1 ARG A 13 -13.112 1.823 0.234 1.00 0.00 N ATOM 202 NH2 ARG A 13 -14.231 3.660 1.049 1.00 0.00 N ATOM 0 H ARG A 13 -7.997 2.161 4.436 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.328 2.870 2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.829 3.366 4.995 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.918 3.977 3.766 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.187 1.048 4.127 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.645 1.799 4.745 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.844 1.633 1.810 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.054 0.637 2.593 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.782 3.349 3.048 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.409 1.093 0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.658 1.875 -0.626 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.389 4.343 1.790 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.775 3.708 0.187 1.00 0.00 H new ATOM 216 N GLY A 14 -7.852 5.004 1.763 1.00 0.00 N ATOM 217 CA GLY A 14 -7.414 6.342 1.445 1.00 0.00 C ATOM 218 C GLY A 14 -6.244 6.339 0.480 1.00 0.00 C ATOM 219 O GLY A 14 -6.014 7.321 -0.228 1.00 0.00 O ATOM 0 H GLY A 14 -7.481 4.281 1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.242 6.901 1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.128 6.858 2.362 1.00 0.00 H new ATOM 223 N GLU A 15 -5.493 5.239 0.451 1.00 0.00 N ATOM 224 CA GLU A 15 -4.346 5.133 -0.429 1.00 0.00 C ATOM 225 C GLU A 15 -4.743 4.547 -1.772 1.00 0.00 C ATOM 226 O GLU A 15 -5.507 3.587 -1.852 1.00 0.00 O ATOM 227 CB GLU A 15 -3.261 4.292 0.232 1.00 0.00 C ATOM 228 CG GLU A 15 -2.846 4.845 1.580 1.00 0.00 C ATOM 229 CD GLU A 15 -2.103 3.838 2.419 1.00 0.00 C ATOM 230 OE1 GLU A 15 -2.426 2.642 2.323 1.00 0.00 O ATOM 231 OE2 GLU A 15 -1.231 4.243 3.224 1.00 0.00 O ATOM 0 H GLU A 15 -5.663 4.415 1.027 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.952 6.133 -0.610 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.621 3.271 0.356 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.391 4.246 -0.423 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.216 5.722 1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.732 5.178 2.120 1.00 0.00 H new ATOM 238 N ARG A 16 -4.214 5.144 -2.815 1.00 0.00 N ATOM 239 CA ARG A 16 -4.488 4.714 -4.177 1.00 0.00 C ATOM 240 C ARG A 16 -3.408 3.748 -4.652 1.00 0.00 C ATOM 241 O ARG A 16 -2.218 4.001 -4.464 1.00 0.00 O ATOM 242 CB ARG A 16 -4.545 5.927 -5.114 1.00 0.00 C ATOM 243 CG ARG A 16 -5.757 5.951 -6.039 1.00 0.00 C ATOM 244 CD ARG A 16 -5.840 4.711 -6.925 1.00 0.00 C ATOM 245 NE ARG A 16 -4.647 4.528 -7.762 1.00 0.00 N ATOM 246 CZ ARG A 16 -4.301 5.318 -8.783 1.00 0.00 C ATOM 247 NH1 ARG A 16 -5.065 6.348 -9.134 1.00 0.00 N ATOM 248 NH2 ARG A 16 -3.187 5.059 -9.460 1.00 0.00 N ATOM 0 H ARG A 16 -3.581 5.941 -2.749 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.452 4.206 -4.193 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.544 6.836 -4.512 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.640 5.945 -5.721 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.665 6.028 -5.441 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.713 6.840 -6.667 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.976 3.830 -6.297 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.719 4.786 -7.565 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.037 3.739 -7.548 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.926 6.542 -8.622 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.790 6.944 -9.915 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.605 4.263 -9.199 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.914 5.656 -10.241 1.00 0.00 H new ATOM 262 N VAL A 17 -3.825 2.650 -5.270 1.00 0.00 N ATOM 263 CA VAL A 17 -2.889 1.655 -5.777 1.00 0.00 C ATOM 264 C VAL A 17 -1.994 2.263 -6.849 1.00 0.00 C ATOM 265 O VAL A 17 -2.475 2.748 -7.876 1.00 0.00 O ATOM 266 CB VAL A 17 -3.624 0.437 -6.382 1.00 0.00 C ATOM 267 CG1 VAL A 17 -2.646 -0.692 -6.675 1.00 0.00 C ATOM 268 CG2 VAL A 17 -4.740 -0.039 -5.466 1.00 0.00 C ATOM 0 H VAL A 17 -4.807 2.426 -5.432 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.288 1.322 -4.931 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.075 0.751 -7.323 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.185 -1.539 -7.100 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.894 -0.347 -7.385 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.158 -1.000 -5.750 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.240 -0.896 -5.917 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.321 -0.328 -4.502 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.460 0.766 -5.322 1.00 0.00 H new ATOM 278 N ARG A 18 -0.699 2.229 -6.605 1.00 0.00 N ATOM 279 CA ARG A 18 0.273 2.759 -7.541 1.00 0.00 C ATOM 280 C ARG A 18 0.796 1.631 -8.411 1.00 0.00 C ATOM 281 O ARG A 18 1.103 1.826 -9.588 1.00 0.00 O ATOM 282 CB ARG A 18 1.419 3.456 -6.796 1.00 0.00 C ATOM 283 CG ARG A 18 2.445 4.119 -7.709 1.00 0.00 C ATOM 284 CD ARG A 18 3.591 3.177 -8.057 1.00 0.00 C ATOM 285 NE ARG A 18 4.481 3.738 -9.077 1.00 0.00 N ATOM 286 CZ ARG A 18 4.180 3.815 -10.378 1.00 0.00 C ATOM 287 NH1 ARG A 18 3.051 3.289 -10.844 1.00 0.00 N ATOM 288 NH2 ARG A 18 5.029 4.398 -11.220 1.00 0.00 N ATOM 0 H ARG A 18 -0.292 1.835 -5.757 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.206 3.504 -8.176 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.999 4.211 -6.131 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.927 2.725 -6.168 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.956 4.449 -8.625 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.842 5.009 -7.222 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.165 2.959 -7.157 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.185 2.230 -8.413 1.00 0.00 H new ATOM 0 HE ARG A 18 5.389 4.093 -8.775 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.405 2.822 -10.208 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.831 3.353 -11.838 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.907 4.785 -10.873 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.802 4.458 -12.213 1.00 0.00 H new ATOM 302 N GLY A 19 0.894 0.451 -7.821 1.00 0.00 N ATOM 303 CA GLY A 19 1.376 -0.702 -8.550 1.00 0.00 C ATOM 304 C GLY A 19 1.436 -1.945 -7.691 1.00 0.00 C ATOM 305 O GLY A 19 0.786 -2.021 -6.650 1.00 0.00 O ATOM 0 H GLY A 19 0.648 0.271 -6.848 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.725 -0.886 -9.405 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.369 -0.489 -8.945 1.00 0.00 H new ATOM 309 N THR A 20 2.217 -2.914 -8.129 1.00 0.00 N ATOM 310 CA THR A 20 2.372 -4.170 -7.411 1.00 0.00 C ATOM 311 C THR A 20 3.730 -4.245 -6.725 1.00 0.00 C ATOM 312 O THR A 20 4.734 -3.789 -7.270 1.00 0.00 O ATOM 313 CB THR A 20 2.221 -5.363 -8.368 1.00 0.00 C ATOM 314 OG1 THR A 20 2.985 -5.127 -9.557 1.00 0.00 O ATOM 315 CG2 THR A 20 0.760 -5.589 -8.732 1.00 0.00 C ATOM 0 H THR A 20 2.761 -2.856 -8.990 1.00 0.00 H new ATOM 0 HA THR A 20 1.590 -4.213 -6.653 1.00 0.00 H new ATOM 0 HB THR A 20 2.591 -6.256 -7.865 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.888 -5.890 -10.165 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.681 -6.439 -9.410 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.187 -5.792 -7.827 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.364 -4.698 -9.220 1.00 0.00 H new ATOM 323 N CYS A 21 3.758 -4.830 -5.537 1.00 0.00 N ATOM 324 CA CYS A 21 4.997 -4.976 -4.785 1.00 0.00 C ATOM 325 C CYS A 21 5.539 -6.385 -4.927 1.00 0.00 C ATOM 326 O CYS A 21 6.747 -6.601 -4.998 1.00 0.00 O ATOM 327 CB CYS A 21 4.768 -4.641 -3.313 1.00 0.00 C ATOM 328 SG CYS A 21 4.602 -2.857 -2.991 1.00 0.00 S ATOM 0 H CYS A 21 2.935 -5.212 -5.071 1.00 0.00 H new ATOM 0 HA CYS A 21 5.732 -4.280 -5.190 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.867 -5.150 -2.969 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.599 -5.032 -2.726 1.00 0.00 H new ATOM 333 N GLY A 22 4.632 -7.338 -4.972 1.00 0.00 N ATOM 334 CA GLY A 22 5.012 -8.719 -5.111 1.00 0.00 C ATOM 335 C GLY A 22 3.821 -9.630 -4.975 1.00 0.00 C ATOM 336 O GLY A 22 2.677 -9.180 -5.086 1.00 0.00 O ATOM 0 H GLY A 22 3.627 -7.177 -4.914 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.482 -8.873 -6.083 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.755 -8.972 -4.354 1.00 0.00 H new ATOM 340 N ILE A 23 4.078 -10.904 -4.726 1.00 0.00 N ATOM 341 CA ILE A 23 3.012 -11.877 -4.572 1.00 0.00 C ATOM 342 C ILE A 23 2.160 -11.550 -3.351 1.00 0.00 C ATOM 343 O ILE A 23 2.574 -11.803 -2.216 1.00 0.00 O ATOM 344 CB ILE A 23 3.572 -13.309 -4.437 1.00 0.00 C ATOM 345 CG1 ILE A 23 4.489 -13.631 -5.620 1.00 0.00 C ATOM 346 CG2 ILE A 23 2.434 -14.321 -4.354 1.00 0.00 C ATOM 347 CD1 ILE A 23 5.172 -14.978 -5.511 1.00 0.00 C ATOM 0 H ILE A 23 5.018 -11.288 -4.626 1.00 0.00 H new ATOM 0 HA ILE A 23 2.395 -11.828 -5.469 1.00 0.00 H new ATOM 0 HB ILE A 23 4.154 -13.371 -3.517 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.904 -13.603 -6.540 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.249 -12.854 -5.702 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.847 -15.325 -4.259 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.813 -14.100 -3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.828 -14.262 -5.258 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.805 -15.137 -6.384 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.784 -15.004 -4.610 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.419 -15.765 -5.461 1.00 0.00 H new ATOM 359 N ARG A 24 0.972 -10.995 -3.617 1.00 0.00 N ATOM 360 CA ARG A 24 -0.005 -10.609 -2.590 1.00 0.00 C ATOM 361 C ARG A 24 0.311 -9.255 -1.957 1.00 0.00 C ATOM 362 O ARG A 24 -0.252 -8.923 -0.912 1.00 0.00 O ATOM 363 CB ARG A 24 -0.104 -11.672 -1.488 1.00 0.00 C ATOM 364 CG ARG A 24 -0.624 -13.016 -1.970 1.00 0.00 C ATOM 365 CD ARG A 24 -0.250 -14.124 -1.000 1.00 0.00 C ATOM 366 NE ARG A 24 1.190 -14.135 -0.728 1.00 0.00 N ATOM 367 CZ ARG A 24 1.802 -15.041 0.035 1.00 0.00 C ATOM 368 NH1 ARG A 24 1.107 -16.027 0.595 1.00 0.00 N ATOM 369 NH2 ARG A 24 3.113 -14.958 0.237 1.00 0.00 N ATOM 0 H ARG A 24 0.657 -10.798 -4.567 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.963 -10.527 -3.104 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.882 -11.813 -1.044 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.759 -11.302 -0.699 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.708 -12.973 -2.078 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.214 -13.237 -2.955 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.797 -13.992 -0.066 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.551 -15.087 -1.412 1.00 0.00 H new ATOM 0 HE ARG A 24 1.761 -13.402 -1.150 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.101 -16.093 0.442 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.580 -16.717 1.178 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.648 -14.203 -0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.584 -15.650 0.820 1.00 0.00 H new ATOM 383 N PHE A 25 1.182 -8.455 -2.574 1.00 0.00 N ATOM 384 CA PHE A 25 1.499 -7.148 -2.020 1.00 0.00 C ATOM 385 C PHE A 25 1.343 -6.076 -3.080 1.00 0.00 C ATOM 386 O PHE A 25 1.828 -6.217 -4.203 1.00 0.00 O ATOM 387 CB PHE A 25 2.914 -7.109 -1.436 1.00 0.00 C ATOM 388 CG PHE A 25 3.112 -8.041 -0.272 1.00 0.00 C ATOM 389 CD1 PHE A 25 3.293 -9.399 -0.478 1.00 0.00 C ATOM 390 CD2 PHE A 25 3.093 -7.560 1.027 1.00 0.00 C ATOM 391 CE1 PHE A 25 3.450 -10.260 0.589 1.00 0.00 C ATOM 392 CE2 PHE A 25 3.256 -8.417 2.098 1.00 0.00 C ATOM 393 CZ PHE A 25 3.433 -9.770 1.878 1.00 0.00 C ATOM 0 H PHE A 25 1.669 -8.687 -3.440 1.00 0.00 H new ATOM 0 HA PHE A 25 0.798 -6.955 -1.208 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.628 -7.363 -2.219 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.139 -6.091 -1.118 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.311 -9.788 -1.485 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.949 -6.504 1.204 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.586 -11.317 0.415 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.245 -8.030 3.106 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.558 -10.442 2.714 1.00 0.00 H new ATOM 403 N LEU A 26 0.656 -5.014 -2.711 1.00 0.00 N ATOM 404 CA LEU A 26 0.410 -3.899 -3.609 1.00 0.00 C ATOM 405 C LEU A 26 1.089 -2.641 -3.090 1.00 0.00 C ATOM 406 O LEU A 26 1.137 -2.405 -1.883 1.00 0.00 O ATOM 407 CB LEU A 26 -1.095 -3.646 -3.747 1.00 0.00 C ATOM 408 CG LEU A 26 -1.915 -4.828 -4.267 1.00 0.00 C ATOM 409 CD1 LEU A 26 -3.397 -4.491 -4.254 1.00 0.00 C ATOM 410 CD2 LEU A 26 -1.470 -5.212 -5.670 1.00 0.00 C ATOM 0 H LEU A 26 0.252 -4.898 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 26 0.822 -4.152 -4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.488 -3.354 -2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.244 -2.800 -4.418 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.747 -5.680 -3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.967 -5.342 -4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.709 -4.263 -3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.579 -3.625 -4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.065 -6.055 -6.023 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.609 -4.364 -6.341 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.417 -5.493 -5.654 1.00 0.00 H new ATOM 422 N TYR A 27 1.597 -1.838 -4.005 1.00 0.00 N ATOM 423 CA TYR A 27 2.251 -0.592 -3.654 1.00 0.00 C ATOM 424 C TYR A 27 1.224 0.514 -3.750 1.00 0.00 C ATOM 425 O TYR A 27 0.735 0.815 -4.841 1.00 0.00 O ATOM 426 CB TYR A 27 3.416 -0.325 -4.608 1.00 0.00 C ATOM 427 CG TYR A 27 4.417 0.699 -4.117 1.00 0.00 C ATOM 428 CD1 TYR A 27 4.908 0.655 -2.820 1.00 0.00 C ATOM 429 CD2 TYR A 27 4.884 1.696 -4.962 1.00 0.00 C ATOM 430 CE1 TYR A 27 5.836 1.578 -2.376 1.00 0.00 C ATOM 431 CE2 TYR A 27 5.812 2.622 -4.527 1.00 0.00 C ATOM 432 CZ TYR A 27 6.285 2.559 -3.233 1.00 0.00 C ATOM 433 OH TYR A 27 7.208 3.481 -2.797 1.00 0.00 O ATOM 0 H TYR A 27 1.569 -2.029 -5.007 1.00 0.00 H new ATOM 0 HA TYR A 27 2.652 -0.643 -2.642 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.939 -1.264 -4.793 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.015 0.010 -5.565 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.559 -0.113 -2.146 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.516 1.749 -5.976 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.207 1.531 -1.363 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.166 3.392 -5.197 1.00 0.00 H new ATOM 0 HH TYR A 27 7.419 4.102 -3.525 1.00 0.00 H new ATOM 443 N CYS A 28 0.861 1.078 -2.619 1.00 0.00 N ATOM 444 CA CYS A 28 -0.160 2.114 -2.589 1.00 0.00 C ATOM 445 C CYS A 28 0.377 3.457 -2.124 1.00 0.00 C ATOM 446 O CYS A 28 1.179 3.534 -1.192 1.00 0.00 O ATOM 447 CB CYS A 28 -1.304 1.681 -1.679 1.00 0.00 C ATOM 448 SG CYS A 28 -1.746 -0.073 -1.852 1.00 0.00 S ATOM 0 H CYS A 28 1.254 0.841 -1.708 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.513 2.244 -3.612 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.027 1.877 -0.643 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.181 2.291 -1.896 1.00 0.00 H new ATOM 453 N CYS A 29 -0.100 4.510 -2.767 1.00 0.00 N ATOM 454 CA CYS A 29 0.283 5.868 -2.426 1.00 0.00 C ATOM 455 C CYS A 29 -0.935 6.601 -1.874 1.00 0.00 C ATOM 456 O CYS A 29 -1.982 6.639 -2.520 1.00 0.00 O ATOM 457 CB CYS A 29 0.823 6.602 -3.654 1.00 0.00 C ATOM 458 SG CYS A 29 2.221 5.766 -4.471 1.00 0.00 S ATOM 0 H CYS A 29 -0.763 4.446 -3.539 1.00 0.00 H new ATOM 0 HA CYS A 29 1.072 5.840 -1.674 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.015 6.723 -4.375 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.137 7.603 -3.356 1.00 0.00 H new ATOM 463 N PRO A 30 -0.826 7.172 -0.671 1.00 0.00 N ATOM 464 CA PRO A 30 -1.932 7.889 -0.028 1.00 0.00 C ATOM 465 C PRO A 30 -2.385 9.109 -0.814 1.00 0.00 C ATOM 466 O PRO A 30 -1.572 9.809 -1.418 1.00 0.00 O ATOM 467 CB PRO A 30 -1.356 8.312 1.325 1.00 0.00 C ATOM 468 CG PRO A 30 -0.200 7.401 1.541 1.00 0.00 C ATOM 469 CD PRO A 30 0.371 7.155 0.178 1.00 0.00 C ATOM 0 HA PRO A 30 -2.819 7.260 0.048 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.042 9.356 1.313 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.095 8.210 2.120 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.540 7.854 2.201 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.516 6.469 2.009 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.084 7.927 -0.109 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.895 6.201 0.123 1.00 0.00 H new ATOM 477 N ARG A 31 -3.688 9.352 -0.791 1.00 0.00 N ATOM 478 CA ARG A 31 -4.272 10.489 -1.485 1.00 0.00 C ATOM 479 C ARG A 31 -3.822 11.788 -0.821 1.00 0.00 C ATOM 480 O ARG A 31 -3.606 12.803 -1.485 1.00 0.00 O ATOM 481 CB ARG A 31 -5.801 10.398 -1.461 1.00 0.00 C ATOM 482 CG ARG A 31 -6.496 11.592 -2.098 1.00 0.00 C ATOM 483 CD ARG A 31 -7.992 11.584 -1.819 1.00 0.00 C ATOM 484 NE ARG A 31 -8.687 10.474 -2.482 1.00 0.00 N ATOM 485 CZ ARG A 31 -8.909 10.402 -3.798 1.00 0.00 C ATOM 486 NH1 ARG A 31 -8.489 11.377 -4.604 1.00 0.00 N ATOM 487 NH2 ARG A 31 -9.554 9.358 -4.308 1.00 0.00 N ATOM 0 H ARG A 31 -4.364 8.772 -0.295 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.935 10.478 -2.521 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.110 9.490 -1.979 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.134 10.304 -0.427 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.059 12.515 -1.716 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.326 11.581 -3.175 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.156 11.519 -0.743 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.424 12.528 -2.151 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.023 9.707 -1.900 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.996 12.182 -4.217 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.660 11.318 -5.608 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.880 8.611 -3.695 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.723 9.304 -5.312 1.00 0.00 H new ATOM 501 N ARG A 32 -3.688 11.730 0.497 1.00 0.00 N ATOM 502 CA ARG A 32 -3.269 12.863 1.299 1.00 0.00 C ATOM 503 C ARG A 32 -2.950 12.360 2.701 1.00 0.00 C ATOM 504 O ARG A 32 -2.283 13.089 3.464 1.00 0.00 O ATOM 505 CB ARG A 32 -4.376 13.932 1.334 1.00 0.00 C ATOM 506 CG ARG A 32 -4.018 15.186 2.120 1.00 0.00 C ATOM 507 CD ARG A 32 -4.533 15.120 3.553 1.00 0.00 C ATOM 508 NE ARG A 32 -4.062 16.246 4.364 1.00 0.00 N ATOM 509 CZ ARG A 32 -2.816 16.361 4.835 1.00 0.00 C ATOM 510 NH1 ARG A 32 -1.935 15.382 4.654 1.00 0.00 N ATOM 511 NH2 ARG A 32 -2.460 17.451 5.510 1.00 0.00 N ATOM 512 OXT ARG A 32 -3.371 11.227 3.017 1.00 0.00 O ATOM 0 H ARG A 32 -3.869 10.886 1.041 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.382 13.326 0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.621 14.217 0.311 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.275 13.492 1.766 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.936 15.314 2.128 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.438 16.060 1.622 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.623 15.111 3.545 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.210 14.185 4.011 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.726 16.988 4.583 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.208 14.536 4.153 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.986 15.476 5.016 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.137 18.197 5.667 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.510 17.540 5.870 1.00 0.00 H new TER 526 ARG A 32