USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=3 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.75) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -122:sc= 0.788 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.358 10.386 -2.539 1.00 0.00 N ATOM 2 CA GLY A 1 -9.539 9.711 -1.224 1.00 0.00 C ATOM 3 C GLY A 1 -9.124 8.254 -1.257 1.00 0.00 C ATOM 4 O GLY A 1 -8.121 7.874 -0.652 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.656 11.380 -2.463 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.356 10.345 -2.815 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.935 9.905 -3.258 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.955 10.235 -0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.585 9.781 -0.924 1.00 0.00 H new ATOM 10 N LEU A 2 -9.897 7.437 -1.965 1.00 0.00 N ATOM 11 CA LEU A 2 -9.605 6.013 -2.075 1.00 0.00 C ATOM 12 C LEU A 2 -8.975 5.697 -3.430 1.00 0.00 C ATOM 13 O LEU A 2 -9.650 5.228 -4.346 1.00 0.00 O ATOM 14 CB LEU A 2 -10.886 5.194 -1.882 1.00 0.00 C ATOM 15 CG LEU A 2 -10.682 3.777 -1.333 1.00 0.00 C ATOM 16 CD1 LEU A 2 -12.013 3.173 -0.911 1.00 0.00 C ATOM 17 CD2 LEU A 2 -10.004 2.890 -2.368 1.00 0.00 C ATOM 0 H LEU A 2 -10.730 7.737 -2.471 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.894 5.745 -1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.546 5.737 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -11.400 5.124 -2.840 1.00 0.00 H new ATOM 0 HG LEU A 2 -10.035 3.841 -0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -11.850 2.167 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -12.464 3.792 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.681 3.127 -1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.869 1.889 -1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -10.625 2.835 -3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.032 3.310 -2.627 1.00 0.00 H new ATOM 29 N LEU A 3 -7.678 5.963 -3.546 1.00 0.00 N ATOM 30 CA LEU A 3 -6.950 5.707 -4.785 1.00 0.00 C ATOM 31 C LEU A 3 -5.582 5.100 -4.490 1.00 0.00 C ATOM 32 O LEU A 3 -4.548 5.719 -4.743 1.00 0.00 O ATOM 33 CB LEU A 3 -6.789 7.004 -5.584 1.00 0.00 C ATOM 34 CG LEU A 3 -8.096 7.649 -6.050 1.00 0.00 C ATOM 35 CD1 LEU A 3 -7.824 9.007 -6.677 1.00 0.00 C ATOM 36 CD2 LEU A 3 -8.819 6.741 -7.034 1.00 0.00 C ATOM 0 H LEU A 3 -7.108 6.356 -2.797 1.00 0.00 H new ATOM 0 HA LEU A 3 -7.524 4.995 -5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.245 7.724 -4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.172 6.799 -6.459 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.738 7.793 -5.181 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.764 9.452 -7.003 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.350 9.658 -5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.163 8.886 -7.535 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.746 7.216 -7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.183 6.565 -7.902 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.047 5.790 -6.552 1.00 0.00 H new ATOM 48 N CYS A 4 -5.587 3.885 -3.953 1.00 0.00 N ATOM 49 CA CYS A 4 -4.348 3.192 -3.618 1.00 0.00 C ATOM 50 C CYS A 4 -3.902 2.288 -4.764 1.00 0.00 C ATOM 51 O CYS A 4 -4.582 2.185 -5.786 1.00 0.00 O ATOM 52 CB CYS A 4 -4.534 2.366 -2.344 1.00 0.00 C ATOM 53 SG CYS A 4 -5.437 3.235 -1.021 1.00 0.00 S ATOM 0 H CYS A 4 -6.435 3.359 -3.740 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.574 3.941 -3.450 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.069 1.449 -2.593 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -3.554 2.072 -1.968 1.00 0.00 H new ATOM 58 N TYR A 5 -2.758 1.635 -4.584 1.00 0.00 N ATOM 59 CA TYR A 5 -2.216 0.740 -5.600 1.00 0.00 C ATOM 60 C TYR A 5 -1.668 -0.534 -4.963 1.00 0.00 C ATOM 61 O TYR A 5 -1.067 -0.494 -3.890 1.00 0.00 O ATOM 62 CB TYR A 5 -1.109 1.442 -6.391 1.00 0.00 C ATOM 63 CG TYR A 5 -1.567 2.703 -7.089 1.00 0.00 C ATOM 64 CD1 TYR A 5 -2.106 2.655 -8.370 1.00 0.00 C ATOM 65 CD2 TYR A 5 -1.459 3.942 -6.469 1.00 0.00 C ATOM 66 CE1 TYR A 5 -2.524 3.806 -9.011 1.00 0.00 C ATOM 67 CE2 TYR A 5 -1.875 5.096 -7.105 1.00 0.00 C ATOM 68 CZ TYR A 5 -2.406 5.023 -8.374 1.00 0.00 C ATOM 69 OH TYR A 5 -2.822 6.171 -9.009 1.00 0.00 O ATOM 0 H TYR A 5 -2.187 1.709 -3.742 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.024 0.470 -6.280 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.291 1.689 -5.714 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -0.711 0.750 -7.133 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.199 1.703 -8.872 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.043 4.004 -5.474 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.941 3.752 -10.006 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.784 6.051 -6.609 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.671 6.942 -8.423 1.00 0.00 H new ATOM 79 N CYS A 6 -1.883 -1.663 -5.633 1.00 0.00 N ATOM 80 CA CYS A 6 -1.412 -2.953 -5.135 1.00 0.00 C ATOM 81 C CYS A 6 0.060 -3.164 -5.475 1.00 0.00 C ATOM 82 O CYS A 6 0.445 -3.137 -6.644 1.00 0.00 O ATOM 83 CB CYS A 6 -2.248 -4.086 -5.735 1.00 0.00 C ATOM 84 SG CYS A 6 -4.046 -3.889 -5.513 1.00 0.00 S ATOM 0 H CYS A 6 -2.380 -1.711 -6.522 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.521 -2.958 -4.051 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.031 -4.157 -6.801 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.939 -5.029 -5.283 1.00 0.00 H new ATOM 89 N ARG A 7 0.878 -3.377 -4.448 1.00 0.00 N ATOM 90 CA ARG A 7 2.308 -3.599 -4.644 1.00 0.00 C ATOM 91 C ARG A 7 2.762 -4.876 -3.945 1.00 0.00 C ATOM 92 O ARG A 7 1.948 -5.611 -3.385 1.00 0.00 O ATOM 93 CB ARG A 7 3.117 -2.411 -4.121 1.00 0.00 C ATOM 94 CG ARG A 7 2.893 -1.124 -4.898 1.00 0.00 C ATOM 95 CD ARG A 7 3.862 -0.038 -4.461 1.00 0.00 C ATOM 96 NE ARG A 7 3.679 1.198 -5.216 1.00 0.00 N ATOM 97 CZ ARG A 7 4.578 1.688 -6.067 1.00 0.00 C ATOM 98 NH1 ARG A 7 5.716 1.041 -6.287 1.00 0.00 N ATOM 99 NH2 ARG A 7 4.336 2.827 -6.702 1.00 0.00 N ATOM 0 H ARG A 7 0.576 -3.401 -3.474 1.00 0.00 H new ATOM 0 HA ARG A 7 2.483 -3.704 -5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.861 -2.242 -3.075 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.177 -2.663 -4.153 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.015 -1.315 -5.964 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.869 -0.781 -4.750 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.725 0.163 -3.399 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.885 -0.392 -4.589 1.00 0.00 H new ATOM 0 HE ARG A 7 2.811 1.717 -5.084 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.906 0.163 -5.803 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.401 1.421 -6.940 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.462 3.327 -6.538 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.024 3.203 -7.354 1.00 0.00 H new ATOM 113 N LYS A 8 4.066 -5.134 -3.984 1.00 0.00 N ATOM 114 CA LYS A 8 4.631 -6.321 -3.355 1.00 0.00 C ATOM 115 C LYS A 8 5.985 -6.010 -2.725 1.00 0.00 C ATOM 116 O LYS A 8 6.852 -5.409 -3.361 1.00 0.00 O ATOM 117 CB LYS A 8 4.781 -7.444 -4.381 1.00 0.00 C ATOM 118 CG LYS A 8 5.189 -8.775 -3.770 1.00 0.00 C ATOM 119 CD LYS A 8 5.298 -9.868 -4.824 1.00 0.00 C ATOM 120 CE LYS A 8 6.447 -9.608 -5.786 1.00 0.00 C ATOM 121 NZ LYS A 8 6.574 -10.688 -6.802 1.00 0.00 N ATOM 0 H LYS A 8 4.751 -4.536 -4.445 1.00 0.00 H new ATOM 0 HA LYS A 8 3.949 -6.644 -2.568 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.836 -7.571 -4.910 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.524 -7.151 -5.122 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.146 -8.664 -3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.459 -9.068 -3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.443 -10.832 -4.336 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.363 -9.931 -5.382 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.291 -8.653 -6.288 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.378 -9.525 -5.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.368 -10.474 -7.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.748 -11.595 -6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.695 -10.750 -7.354 1.00 0.00 H new ATOM 135 N GLY A 9 6.160 -6.423 -1.474 1.00 0.00 N ATOM 136 CA GLY A 9 7.410 -6.180 -0.780 1.00 0.00 C ATOM 137 C GLY A 9 7.320 -5.010 0.180 1.00 0.00 C ATOM 138 O GLY A 9 7.324 -5.197 1.397 1.00 0.00 O ATOM 0 H GLY A 9 5.457 -6.922 -0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.697 -7.076 -0.230 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.196 -5.988 -1.510 1.00 0.00 H new ATOM 142 N HIS A 10 7.239 -3.802 -0.368 1.00 0.00 N ATOM 143 CA HIS A 10 7.147 -2.596 0.447 1.00 0.00 C ATOM 144 C HIS A 10 6.691 -1.409 -0.398 1.00 0.00 C ATOM 145 O HIS A 10 6.979 -1.340 -1.593 1.00 0.00 O ATOM 146 CB HIS A 10 8.498 -2.291 1.094 1.00 0.00 C ATOM 147 CG HIS A 10 8.401 -1.397 2.291 1.00 0.00 C ATOM 148 ND1 HIS A 10 8.151 -1.870 3.562 1.00 0.00 N ATOM 149 CD2 HIS A 10 8.521 -0.054 2.408 1.00 0.00 C ATOM 150 CE1 HIS A 10 8.121 -0.856 4.409 1.00 0.00 C ATOM 151 NE2 HIS A 10 8.342 0.256 3.734 1.00 0.00 N ATOM 0 H HIS A 10 7.235 -3.632 -1.374 1.00 0.00 H new ATOM 0 HA HIS A 10 6.409 -2.767 1.231 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.970 -3.228 1.388 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.149 -1.825 0.354 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.720 0.644 1.608 1.00 0.00 H new ATOM 0 HE1 HIS A 10 7.946 -0.926 5.472 1.00 0.00 H new ATOM 0 HE2 HIS A 10 8.375 1.194 4.133 1.00 0.00 H new ATOM 160 N CYS A 11 5.980 -0.477 0.230 1.00 0.00 N ATOM 161 CA CYS A 11 5.481 0.704 -0.469 1.00 0.00 C ATOM 162 C CYS A 11 6.476 1.857 -0.381 1.00 0.00 C ATOM 163 O CYS A 11 7.164 2.021 0.627 1.00 0.00 O ATOM 164 CB CYS A 11 4.137 1.139 0.117 1.00 0.00 C ATOM 165 SG CYS A 11 2.968 -0.229 0.389 1.00 0.00 S ATOM 0 H CYS A 11 5.737 -0.516 1.220 1.00 0.00 H new ATOM 0 HA CYS A 11 5.350 0.440 -1.518 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.313 1.646 1.066 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.679 1.867 -0.553 1.00 0.00 H new ATOM 170 N LYS A 12 6.541 2.655 -1.442 1.00 0.00 N ATOM 171 CA LYS A 12 7.449 3.795 -1.489 1.00 0.00 C ATOM 172 C LYS A 12 6.798 5.024 -0.868 1.00 0.00 C ATOM 173 O LYS A 12 7.476 5.997 -0.534 1.00 0.00 O ATOM 174 CB LYS A 12 7.851 4.099 -2.934 1.00 0.00 C ATOM 175 CG LYS A 12 6.744 4.749 -3.749 1.00 0.00 C ATOM 176 CD LYS A 12 7.179 5.001 -5.184 1.00 0.00 C ATOM 177 CE LYS A 12 6.079 5.675 -5.988 1.00 0.00 C ATOM 178 NZ LYS A 12 6.479 5.893 -7.405 1.00 0.00 N ATOM 0 H LYS A 12 5.975 2.533 -2.282 1.00 0.00 H new ATOM 0 HA LYS A 12 8.342 3.541 -0.917 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.721 4.755 -2.930 1.00 0.00 H new ATOM 0 HB3 LYS A 12 8.153 3.172 -3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.863 4.108 -3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.456 5.692 -3.285 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.072 5.627 -5.190 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.449 4.056 -5.655 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.178 5.062 -5.956 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.830 6.632 -5.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.701 6.355 -7.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.323 6.499 -7.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.692 4.978 -7.850 1.00 0.00 H new ATOM 192 N ARG A 13 5.480 4.973 -0.720 1.00 0.00 N ATOM 193 CA ARG A 13 4.734 6.083 -0.147 1.00 0.00 C ATOM 194 C ARG A 13 3.421 5.599 0.461 1.00 0.00 C ATOM 195 O ARG A 13 2.541 5.108 -0.246 1.00 0.00 O ATOM 196 CB ARG A 13 4.454 7.132 -1.224 1.00 0.00 C ATOM 197 CG ARG A 13 4.609 8.564 -0.739 1.00 0.00 C ATOM 198 CD ARG A 13 6.066 8.902 -0.470 1.00 0.00 C ATOM 199 NE ARG A 13 6.249 10.307 -0.120 1.00 0.00 N ATOM 200 CZ ARG A 13 7.434 10.911 -0.079 1.00 0.00 C ATOM 201 NH1 ARG A 13 8.538 10.233 -0.368 1.00 0.00 N ATOM 202 NH2 ARG A 13 7.516 12.193 0.250 1.00 0.00 N ATOM 0 H ARG A 13 4.907 4.174 -0.989 1.00 0.00 H new ATOM 0 HA ARG A 13 5.335 6.529 0.645 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.130 6.967 -2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.440 6.993 -1.599 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.207 9.249 -1.486 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.026 8.707 0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.439 8.276 0.340 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.661 8.669 -1.353 1.00 0.00 H new ATOM 0 HE ARG A 13 5.421 10.858 0.106 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.479 9.247 -0.622 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.445 10.698 -0.336 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.670 12.718 0.472 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.425 12.654 0.281 1.00 0.00 H new ATOM 216 N GLY A 14 3.297 5.742 1.776 1.00 0.00 N ATOM 217 CA GLY A 14 2.088 5.316 2.460 1.00 0.00 C ATOM 218 C GLY A 14 1.909 3.811 2.449 1.00 0.00 C ATOM 219 O GLY A 14 1.127 3.277 1.660 1.00 0.00 O ATOM 0 H GLY A 14 4.012 6.145 2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.116 5.667 3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.224 5.784 1.988 1.00 0.00 H new ATOM 223 N GLU A 15 2.631 3.125 3.332 1.00 0.00 N ATOM 224 CA GLU A 15 2.548 1.671 3.424 1.00 0.00 C ATOM 225 C GLU A 15 1.459 1.267 4.413 1.00 0.00 C ATOM 226 O GLU A 15 1.341 1.858 5.487 1.00 0.00 O ATOM 227 CB GLU A 15 3.891 1.075 3.865 1.00 0.00 C ATOM 228 CG GLU A 15 5.101 1.913 3.477 1.00 0.00 C ATOM 229 CD GLU A 15 5.358 3.055 4.442 1.00 0.00 C ATOM 230 OE1 GLU A 15 5.782 2.782 5.584 1.00 0.00 O ATOM 231 OE2 GLU A 15 5.135 4.222 4.055 1.00 0.00 O ATOM 0 H GLU A 15 3.279 3.553 3.993 1.00 0.00 H new ATOM 0 HA GLU A 15 2.301 1.283 2.436 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.882 0.949 4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.996 0.081 3.429 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.982 1.273 3.435 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.952 2.316 2.475 1.00 0.00 H new ATOM 238 N ARG A 16 0.666 0.262 4.054 1.00 0.00 N ATOM 239 CA ARG A 16 -0.410 -0.194 4.926 1.00 0.00 C ATOM 240 C ARG A 16 -0.890 -1.594 4.548 1.00 0.00 C ATOM 241 O ARG A 16 -0.813 -2.003 3.386 1.00 0.00 O ATOM 242 CB ARG A 16 -1.582 0.788 4.868 1.00 0.00 C ATOM 243 CG ARG A 16 -2.611 0.586 5.970 1.00 0.00 C ATOM 244 CD ARG A 16 -2.215 1.309 7.249 1.00 0.00 C ATOM 245 NE ARG A 16 -0.994 0.767 7.841 1.00 0.00 N ATOM 246 CZ ARG A 16 -0.758 0.740 9.149 1.00 0.00 C ATOM 247 NH1 ARG A 16 -1.659 1.215 9.999 1.00 0.00 N ATOM 248 NH2 ARG A 16 0.380 0.237 9.609 1.00 0.00 N ATOM 0 H ARG A 16 0.747 -0.248 3.174 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.017 -0.238 5.942 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.194 1.805 4.928 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.076 0.692 3.901 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.582 0.949 5.632 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.722 -0.479 6.173 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.072 2.368 7.035 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.029 1.236 7.971 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.283 0.388 7.216 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.536 1.602 9.649 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.475 1.193 11.002 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.075 -0.130 8.959 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.560 0.217 10.613 1.00 0.00 H new ATOM 262 N VAL A 17 -1.385 -2.321 5.544 1.00 0.00 N ATOM 263 CA VAL A 17 -1.890 -3.670 5.329 1.00 0.00 C ATOM 264 C VAL A 17 -3.300 -3.810 5.896 1.00 0.00 C ATOM 265 O VAL A 17 -3.621 -4.789 6.572 1.00 0.00 O ATOM 266 CB VAL A 17 -0.973 -4.730 5.974 1.00 0.00 C ATOM 267 CG1 VAL A 17 -1.261 -6.109 5.399 1.00 0.00 C ATOM 268 CG2 VAL A 17 0.491 -4.362 5.785 1.00 0.00 C ATOM 0 H VAL A 17 -1.447 -1.997 6.509 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.910 -3.839 4.252 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.181 -4.756 7.044 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.604 -6.843 5.867 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.300 -6.375 5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.086 -6.099 4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.120 -5.123 6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.717 -4.303 4.720 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.687 -3.397 6.252 1.00 0.00 H new ATOM 278 N ARG A 18 -4.140 -2.818 5.617 1.00 0.00 N ATOM 279 CA ARG A 18 -5.519 -2.827 6.092 1.00 0.00 C ATOM 280 C ARG A 18 -6.410 -3.563 5.102 1.00 0.00 C ATOM 281 O ARG A 18 -7.424 -4.153 5.476 1.00 0.00 O ATOM 282 CB ARG A 18 -6.026 -1.396 6.294 1.00 0.00 C ATOM 283 CG ARG A 18 -7.406 -1.323 6.930 1.00 0.00 C ATOM 284 CD ARG A 18 -7.390 -1.838 8.362 1.00 0.00 C ATOM 285 NE ARG A 18 -8.720 -1.827 8.965 1.00 0.00 N ATOM 286 CZ ARG A 18 -9.014 -2.430 10.114 1.00 0.00 C ATOM 287 NH1 ARG A 18 -8.076 -3.089 10.781 1.00 0.00 N ATOM 288 NH2 ARG A 18 -10.248 -2.374 10.596 1.00 0.00 N ATOM 0 H ARG A 18 -3.890 -1.998 5.064 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.552 -3.345 7.050 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.318 -0.853 6.920 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.052 -0.889 5.329 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.759 -0.292 6.917 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.111 -1.909 6.340 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.994 -2.853 8.377 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.716 -1.224 8.960 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.465 -1.329 8.478 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.126 -3.135 10.413 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.305 -3.550 11.662 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.972 -1.869 10.086 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.473 -2.836 11.477 1.00 0.00 H new ATOM 302 N GLY A 19 -6.018 -3.521 3.834 1.00 0.00 N ATOM 303 CA GLY A 19 -6.772 -4.191 2.794 1.00 0.00 C ATOM 304 C GLY A 19 -5.869 -4.913 1.817 1.00 0.00 C ATOM 305 O GLY A 19 -5.705 -4.477 0.679 1.00 0.00 O ATOM 0 H GLY A 19 -5.185 -3.031 3.507 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.460 -4.904 3.247 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.377 -3.461 2.257 1.00 0.00 H new ATOM 309 N THR A 20 -5.281 -6.018 2.268 1.00 0.00 N ATOM 310 CA THR A 20 -4.378 -6.807 1.436 1.00 0.00 C ATOM 311 C THR A 20 -4.953 -7.026 0.039 1.00 0.00 C ATOM 312 O THR A 20 -6.124 -7.370 -0.117 1.00 0.00 O ATOM 313 CB THR A 20 -4.073 -8.172 2.080 1.00 0.00 C ATOM 314 OG1 THR A 20 -3.267 -8.962 1.199 1.00 0.00 O ATOM 315 CG2 THR A 20 -5.358 -8.920 2.407 1.00 0.00 C ATOM 0 H THR A 20 -5.415 -6.388 3.209 1.00 0.00 H new ATOM 0 HA THR A 20 -3.452 -6.239 1.351 1.00 0.00 H new ATOM 0 HB THR A 20 -3.530 -7.994 3.008 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.730 -9.801 0.996 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.114 -9.881 2.861 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.955 -8.331 3.103 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.926 -9.085 1.491 1.00 0.00 H new ATOM 323 N CYS A 21 -4.115 -6.821 -0.972 1.00 0.00 N ATOM 324 CA CYS A 21 -4.530 -6.983 -2.360 1.00 0.00 C ATOM 325 C CYS A 21 -4.096 -8.342 -2.908 1.00 0.00 C ATOM 326 O CYS A 21 -4.079 -8.555 -4.121 1.00 0.00 O ATOM 327 CB CYS A 21 -3.939 -5.858 -3.213 1.00 0.00 C ATOM 328 SG CYS A 21 -4.658 -5.719 -4.881 1.00 0.00 S ATOM 0 H CYS A 21 -3.141 -6.541 -0.855 1.00 0.00 H new ATOM 0 HA CYS A 21 -5.618 -6.934 -2.401 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.078 -4.911 -2.691 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.864 -6.016 -3.306 1.00 0.00 H new ATOM 333 N GLY A 22 -3.749 -9.258 -2.008 1.00 0.00 N ATOM 334 CA GLY A 22 -3.322 -10.583 -2.427 1.00 0.00 C ATOM 335 C GLY A 22 -2.723 -11.390 -1.290 1.00 0.00 C ATOM 336 O GLY A 22 -3.109 -11.226 -0.133 1.00 0.00 O ATOM 0 H GLY A 22 -3.756 -9.108 -0.999 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.175 -11.122 -2.840 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.587 -10.488 -3.227 1.00 0.00 H new ATOM 340 N ILE A 23 -1.781 -12.268 -1.623 1.00 0.00 N ATOM 341 CA ILE A 23 -1.127 -13.105 -0.623 1.00 0.00 C ATOM 342 C ILE A 23 0.121 -12.424 -0.072 1.00 0.00 C ATOM 343 O ILE A 23 0.162 -12.026 1.093 1.00 0.00 O ATOM 344 CB ILE A 23 -0.738 -14.479 -1.204 1.00 0.00 C ATOM 345 CG1 ILE A 23 -1.975 -15.197 -1.748 1.00 0.00 C ATOM 346 CG2 ILE A 23 -0.048 -15.328 -0.145 1.00 0.00 C ATOM 347 CD1 ILE A 23 -1.657 -16.468 -2.509 1.00 0.00 C ATOM 0 H ILE A 23 -1.454 -12.418 -2.577 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.844 -13.254 0.184 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.041 -14.323 -2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.639 -15.438 -0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.519 -14.518 -2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.220 -16.295 -0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.853 -14.820 0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.723 -15.478 0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.583 -16.921 -2.864 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.019 -16.232 -3.361 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.140 -17.167 -1.851 1.00 0.00 H new ATOM 359 N ARG A 24 1.140 -12.294 -0.917 1.00 0.00 N ATOM 360 CA ARG A 24 2.391 -11.661 -0.517 1.00 0.00 C ATOM 361 C ARG A 24 2.379 -10.173 -0.855 1.00 0.00 C ATOM 362 O ARG A 24 3.362 -9.468 -0.629 1.00 0.00 O ATOM 363 CB ARG A 24 3.576 -12.347 -1.202 1.00 0.00 C ATOM 364 CG ARG A 24 3.523 -12.287 -2.721 1.00 0.00 C ATOM 365 CD ARG A 24 4.606 -13.149 -3.349 1.00 0.00 C ATOM 366 NE ARG A 24 4.445 -14.559 -3.008 1.00 0.00 N ATOM 367 CZ ARG A 24 5.357 -15.492 -3.267 1.00 0.00 C ATOM 368 NH1 ARG A 24 6.495 -15.165 -3.866 1.00 0.00 N ATOM 369 NH2 ARG A 24 5.132 -16.754 -2.927 1.00 0.00 N ATOM 0 H ARG A 24 1.123 -12.619 -1.884 1.00 0.00 H new ATOM 0 HA ARG A 24 2.496 -11.767 0.563 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.501 -11.881 -0.861 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.610 -13.391 -0.889 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.544 -12.621 -3.066 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.641 -11.255 -3.050 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.580 -13.032 -4.432 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.584 -12.804 -3.014 1.00 0.00 H new ATOM 0 HE ARG A 24 3.583 -14.846 -2.544 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.673 -14.196 -4.129 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.192 -15.883 -4.063 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.259 -17.010 -2.466 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.832 -17.468 -3.126 1.00 0.00 H new ATOM 383 N PHE A 25 1.257 -9.705 -1.395 1.00 0.00 N ATOM 384 CA PHE A 25 1.113 -8.302 -1.765 1.00 0.00 C ATOM 385 C PHE A 25 0.634 -7.472 -0.577 1.00 0.00 C ATOM 386 O PHE A 25 0.396 -8.004 0.507 1.00 0.00 O ATOM 387 CB PHE A 25 0.128 -8.159 -2.928 1.00 0.00 C ATOM 388 CG PHE A 25 0.514 -8.951 -4.143 1.00 0.00 C ATOM 389 CD1 PHE A 25 1.386 -8.425 -5.082 1.00 0.00 C ATOM 390 CD2 PHE A 25 0.003 -10.223 -4.348 1.00 0.00 C ATOM 391 CE1 PHE A 25 1.743 -9.153 -6.202 1.00 0.00 C ATOM 392 CE2 PHE A 25 0.356 -10.955 -5.466 1.00 0.00 C ATOM 393 CZ PHE A 25 1.227 -10.419 -6.394 1.00 0.00 C ATOM 0 H PHE A 25 0.435 -10.278 -1.586 1.00 0.00 H new ATOM 0 HA PHE A 25 2.090 -7.932 -2.075 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.861 -8.476 -2.597 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.050 -7.106 -3.200 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.792 -7.435 -4.938 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.679 -10.647 -3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 25 2.425 -8.732 -6.926 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -0.049 -11.945 -5.614 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.504 -10.989 -7.268 1.00 0.00 H new ATOM 403 N LEU A 26 0.495 -6.168 -0.793 1.00 0.00 N ATOM 404 CA LEU A 26 0.044 -5.261 0.257 1.00 0.00 C ATOM 405 C LEU A 26 -0.630 -4.034 -0.341 1.00 0.00 C ATOM 406 O LEU A 26 -0.634 -3.847 -1.559 1.00 0.00 O ATOM 407 CB LEU A 26 1.213 -4.839 1.152 1.00 0.00 C ATOM 408 CG LEU A 26 2.353 -4.094 0.452 1.00 0.00 C ATOM 409 CD1 LEU A 26 3.236 -3.399 1.474 1.00 0.00 C ATOM 410 CD2 LEU A 26 3.181 -5.046 -0.398 1.00 0.00 C ATOM 0 H LEU A 26 0.688 -5.715 -1.686 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.685 -5.793 0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.825 -4.205 1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.624 -5.731 1.626 1.00 0.00 H new ATOM 0 HG LEU A 26 1.915 -3.342 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.042 -2.874 0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.641 -2.684 2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.660 -4.140 2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.985 -4.494 -0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.608 -5.823 0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.545 -5.505 -1.155 1.00 0.00 H new ATOM 422 N TYR A 27 -1.191 -3.195 0.525 1.00 0.00 N ATOM 423 CA TYR A 27 -1.887 -1.999 0.078 1.00 0.00 C ATOM 424 C TYR A 27 -1.028 -0.753 0.261 1.00 0.00 C ATOM 425 O TYR A 27 -0.573 -0.452 1.365 1.00 0.00 O ATOM 426 CB TYR A 27 -3.212 -1.857 0.828 1.00 0.00 C ATOM 427 CG TYR A 27 -4.384 -1.574 -0.082 1.00 0.00 C ATOM 428 CD1 TYR A 27 -4.668 -2.414 -1.150 1.00 0.00 C ATOM 429 CD2 TYR A 27 -5.201 -0.472 0.125 1.00 0.00 C ATOM 430 CE1 TYR A 27 -5.736 -2.162 -1.989 1.00 0.00 C ATOM 431 CE2 TYR A 27 -6.272 -0.213 -0.709 1.00 0.00 C ATOM 432 CZ TYR A 27 -6.535 -1.062 -1.765 1.00 0.00 C ATOM 433 OH TYR A 27 -7.600 -0.807 -2.598 1.00 0.00 O ATOM 0 H TYR A 27 -1.176 -3.323 1.537 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.091 -2.101 -0.988 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.406 -2.773 1.386 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.124 -1.052 1.558 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.044 -3.278 -1.328 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.997 0.194 0.951 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.944 -2.824 -2.817 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.900 0.649 -0.536 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.061 0.005 -2.301 1.00 0.00 H new ATOM 443 N CYS A 28 -0.819 -0.030 -0.834 1.00 0.00 N ATOM 444 CA CYS A 28 -0.009 1.181 -0.814 1.00 0.00 C ATOM 445 C CYS A 28 -0.830 2.388 -1.251 1.00 0.00 C ATOM 446 O CYS A 28 -1.105 2.566 -2.437 1.00 0.00 O ATOM 447 CB CYS A 28 1.202 1.015 -1.729 1.00 0.00 C ATOM 448 SG CYS A 28 2.141 -0.517 -1.436 1.00 0.00 S ATOM 0 H CYS A 28 -1.202 -0.264 -1.750 1.00 0.00 H new ATOM 0 HA CYS A 28 0.333 1.349 0.207 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.867 1.032 -2.766 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.867 1.869 -1.595 1.00 0.00 H new ATOM 453 N CYS A 29 -1.213 3.219 -0.288 1.00 0.00 N ATOM 454 CA CYS A 29 -2.009 4.405 -0.578 1.00 0.00 C ATOM 455 C CYS A 29 -1.140 5.663 -0.580 1.00 0.00 C ATOM 456 O CYS A 29 -0.134 5.729 0.126 1.00 0.00 O ATOM 457 CB CYS A 29 -3.133 4.550 0.448 1.00 0.00 C ATOM 458 SG CYS A 29 -4.206 3.083 0.584 1.00 0.00 S ATOM 0 H CYS A 29 -0.985 3.093 0.698 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.442 4.286 -1.571 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.695 4.759 1.424 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.745 5.412 0.182 1.00 0.00 H new ATOM 463 N PRO A 30 -1.519 6.681 -1.379 1.00 0.00 N ATOM 464 CA PRO A 30 -0.769 7.940 -1.465 1.00 0.00 C ATOM 465 C PRO A 30 -0.612 8.618 -0.107 1.00 0.00 C ATOM 466 O PRO A 30 -1.083 8.111 0.911 1.00 0.00 O ATOM 467 CB PRO A 30 -1.622 8.808 -2.395 1.00 0.00 C ATOM 468 CG PRO A 30 -2.441 7.843 -3.180 1.00 0.00 C ATOM 469 CD PRO A 30 -2.697 6.681 -2.265 1.00 0.00 C ATOM 0 HA PRO A 30 0.247 7.778 -1.824 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.254 9.491 -1.828 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.998 9.418 -3.048 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.377 8.298 -3.504 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.914 7.524 -4.079 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.623 6.808 -1.703 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.785 5.746 -2.818 1.00 0.00 H new ATOM 477 N ARG A 31 0.054 9.769 -0.100 1.00 0.00 N ATOM 478 CA ARG A 31 0.273 10.521 1.130 1.00 0.00 C ATOM 479 C ARG A 31 -1.051 11.002 1.715 1.00 0.00 C ATOM 480 O ARG A 31 -1.531 12.086 1.383 1.00 0.00 O ATOM 481 CB ARG A 31 1.193 11.716 0.866 1.00 0.00 C ATOM 482 CG ARG A 31 2.584 11.322 0.393 1.00 0.00 C ATOM 483 CD ARG A 31 3.455 12.545 0.155 1.00 0.00 C ATOM 484 NE ARG A 31 2.939 13.382 -0.927 1.00 0.00 N ATOM 485 CZ ARG A 31 2.862 14.709 -0.861 1.00 0.00 C ATOM 486 NH1 ARG A 31 3.254 15.347 0.233 1.00 0.00 N ATOM 487 NH2 ARG A 31 2.391 15.397 -1.892 1.00 0.00 N ATOM 0 H ARG A 31 0.452 10.201 -0.934 1.00 0.00 H new ATOM 0 HA ARG A 31 0.750 9.858 1.852 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.732 12.360 0.116 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.282 12.304 1.780 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.054 10.678 1.136 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.507 10.743 -0.528 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.514 13.132 1.071 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.469 12.227 -0.085 1.00 0.00 H new ATOM 0 HE ARG A 31 2.620 12.923 -1.780 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.616 14.821 1.028 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.193 16.364 0.280 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.088 14.909 -2.735 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.332 16.414 -1.842 1.00 0.00 H new ATOM 501 N ARG A 32 -1.636 10.188 2.588 1.00 0.00 N ATOM 502 CA ARG A 32 -2.906 10.527 3.218 1.00 0.00 C ATOM 503 C ARG A 32 -2.688 11.124 4.605 1.00 0.00 C ATOM 504 O ARG A 32 -2.590 10.346 5.576 1.00 0.00 O ATOM 505 CB ARG A 32 -3.796 9.286 3.317 1.00 0.00 C ATOM 506 CG ARG A 32 -4.155 8.684 1.967 1.00 0.00 C ATOM 507 CD ARG A 32 -5.042 9.618 1.159 1.00 0.00 C ATOM 508 NE ARG A 32 -6.328 9.848 1.811 1.00 0.00 N ATOM 509 CZ ARG A 32 -7.150 10.844 1.494 1.00 0.00 C ATOM 510 NH1 ARG A 32 -6.819 11.705 0.541 1.00 0.00 N ATOM 511 NH2 ARG A 32 -8.304 10.980 2.132 1.00 0.00 N ATOM 512 OXT ARG A 32 -2.616 12.367 4.706 1.00 0.00 O ATOM 0 H ARG A 32 -1.250 9.289 2.875 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.401 11.274 2.598 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.288 8.532 3.918 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.713 9.548 3.844 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.244 8.472 1.408 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.666 7.733 2.116 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.532 10.571 1.017 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.208 9.194 0.168 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.612 9.208 2.552 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.931 11.604 0.049 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.452 12.468 0.300 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.562 10.321 2.866 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.934 11.744 1.889 1.00 0.00 H new TER 526 ARG A 32