USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 264 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 Set 1.1: A 5 TYR OH : rot -102:sc= 2.41 USER MOD Set 1.2: A 12 LYS NZ :NH3+ -123:sc= 1.23 (180deg=-0.00797) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.438 (180deg=-2.39!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.292 X(o=-0.29,f=-0.00018) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0216 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.331 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.111 9.817 2.887 1.00 0.00 N ATOM 2 CA GLY A 1 3.535 9.727 3.274 1.00 0.00 C ATOM 3 C GLY A 1 4.403 9.336 2.104 1.00 0.00 C ATOM 4 O GLY A 1 3.969 8.579 1.238 1.00 0.00 O ATOM 0 H1 GLY A 1 1.806 10.811 2.914 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.989 9.443 1.924 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.535 9.260 3.550 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.867 10.687 3.670 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.650 8.996 4.074 1.00 0.00 H new ATOM 10 N LEU A 2 5.624 9.861 2.070 1.00 0.00 N ATOM 11 CA LEU A 2 6.557 9.562 0.990 1.00 0.00 C ATOM 12 C LEU A 2 6.987 8.103 1.056 1.00 0.00 C ATOM 13 O LEU A 2 7.127 7.436 0.034 1.00 0.00 O ATOM 14 CB LEU A 2 7.792 10.475 1.056 1.00 0.00 C ATOM 15 CG LEU A 2 7.576 11.937 0.636 1.00 0.00 C ATOM 16 CD1 LEU A 2 6.924 12.013 -0.737 1.00 0.00 C ATOM 17 CD2 LEU A 2 6.749 12.694 1.666 1.00 0.00 C ATOM 0 H LEU A 2 5.990 10.496 2.779 1.00 0.00 H new ATOM 0 HA LEU A 2 6.047 9.744 0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 2 8.172 10.464 2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 2 8.569 10.047 0.422 1.00 0.00 H new ATOM 0 HG LEU A 2 8.555 12.413 0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.780 13.057 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.566 11.527 -1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.958 11.509 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.615 13.725 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.775 12.217 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 2 7.265 12.683 2.626 1.00 0.00 H new ATOM 29 N LEU A 3 7.184 7.620 2.275 1.00 0.00 N ATOM 30 CA LEU A 3 7.589 6.243 2.501 1.00 0.00 C ATOM 31 C LEU A 3 6.439 5.288 2.190 1.00 0.00 C ATOM 32 O LEU A 3 5.351 5.407 2.754 1.00 0.00 O ATOM 33 CB LEU A 3 8.044 6.064 3.953 1.00 0.00 C ATOM 34 CG LEU A 3 8.529 4.659 4.324 1.00 0.00 C ATOM 35 CD1 LEU A 3 9.770 4.289 3.527 1.00 0.00 C ATOM 36 CD2 LEU A 3 8.807 4.573 5.817 1.00 0.00 C ATOM 0 H LEU A 3 7.068 8.168 3.128 1.00 0.00 H new ATOM 0 HA LEU A 3 8.420 6.011 1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.848 6.772 4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.216 6.329 4.610 1.00 0.00 H new ATOM 0 HG LEU A 3 7.742 3.947 4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.097 3.287 3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.538 4.311 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.566 5.003 3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.151 3.569 6.066 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.576 5.297 6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.894 4.791 6.370 1.00 0.00 H new ATOM 48 N CYS A 4 6.693 4.351 1.294 1.00 0.00 N ATOM 49 CA CYS A 4 5.696 3.368 0.901 1.00 0.00 C ATOM 50 C CYS A 4 5.883 2.090 1.718 1.00 0.00 C ATOM 51 O CYS A 4 6.984 1.817 2.198 1.00 0.00 O ATOM 52 CB CYS A 4 5.813 3.089 -0.598 1.00 0.00 C ATOM 53 SG CYS A 4 5.829 4.599 -1.626 1.00 0.00 S ATOM 0 H CYS A 4 7.590 4.249 0.820 1.00 0.00 H new ATOM 0 HA CYS A 4 4.697 3.755 1.099 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.727 2.524 -0.783 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.980 2.458 -0.907 1.00 0.00 H new ATOM 58 N TYR A 5 4.820 1.313 1.891 1.00 0.00 N ATOM 59 CA TYR A 5 4.902 0.093 2.666 1.00 0.00 C ATOM 60 C TYR A 5 4.233 -1.077 1.953 1.00 0.00 C ATOM 61 O TYR A 5 3.471 -0.907 1.000 1.00 0.00 O ATOM 62 CB TYR A 5 4.293 0.292 4.066 1.00 0.00 C ATOM 63 CG TYR A 5 2.834 0.731 4.090 1.00 0.00 C ATOM 64 CD1 TYR A 5 1.822 -0.076 3.576 1.00 0.00 C ATOM 65 CD2 TYR A 5 2.471 1.952 4.645 1.00 0.00 C ATOM 66 CE1 TYR A 5 0.499 0.323 3.613 1.00 0.00 C ATOM 67 CE2 TYR A 5 1.149 2.357 4.684 1.00 0.00 C ATOM 68 CZ TYR A 5 0.169 1.539 4.167 1.00 0.00 C ATOM 69 OH TYR A 5 -1.150 1.940 4.206 1.00 0.00 O ATOM 0 H TYR A 5 3.897 1.510 1.504 1.00 0.00 H new ATOM 0 HA TYR A 5 5.959 -0.150 2.777 1.00 0.00 H new ATOM 0 HB2 TYR A 5 4.382 -0.644 4.618 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.887 1.035 4.599 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.076 -1.031 3.140 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.235 2.597 5.053 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.272 -0.316 3.209 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.886 3.310 5.118 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.315 2.592 3.493 1.00 0.00 H new ATOM 79 N CYS A 6 4.535 -2.255 2.449 1.00 0.00 N ATOM 80 CA CYS A 6 3.994 -3.501 1.930 1.00 0.00 C ATOM 81 C CYS A 6 2.697 -3.835 2.662 1.00 0.00 C ATOM 82 O CYS A 6 2.592 -3.604 3.868 1.00 0.00 O ATOM 83 CB CYS A 6 5.023 -4.617 2.128 1.00 0.00 C ATOM 84 SG CYS A 6 4.502 -6.256 1.537 1.00 0.00 S ATOM 0 H CYS A 6 5.172 -2.382 3.236 1.00 0.00 H new ATOM 0 HA CYS A 6 3.780 -3.401 0.866 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.943 -4.338 1.614 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.260 -4.688 3.190 1.00 0.00 H new ATOM 89 N ARG A 7 1.708 -4.365 1.951 1.00 0.00 N ATOM 90 CA ARG A 7 0.440 -4.701 2.580 1.00 0.00 C ATOM 91 C ARG A 7 -0.238 -5.861 1.866 1.00 0.00 C ATOM 92 O ARG A 7 -0.327 -5.884 0.641 1.00 0.00 O ATOM 93 CB ARG A 7 -0.490 -3.485 2.601 1.00 0.00 C ATOM 94 CG ARG A 7 -1.712 -3.684 3.483 1.00 0.00 C ATOM 95 CD ARG A 7 -2.635 -2.475 3.456 1.00 0.00 C ATOM 96 NE ARG A 7 -3.751 -2.615 4.399 1.00 0.00 N ATOM 97 CZ ARG A 7 -4.723 -3.527 4.290 1.00 0.00 C ATOM 98 NH1 ARG A 7 -4.777 -4.326 3.229 1.00 0.00 N ATOM 99 NH2 ARG A 7 -5.654 -3.622 5.234 1.00 0.00 N ATOM 0 H ARG A 7 1.759 -4.568 0.953 1.00 0.00 H new ATOM 0 HA ARG A 7 0.650 -5.005 3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.066 -2.616 2.952 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.815 -3.266 1.584 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.260 -4.566 3.151 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.393 -3.874 4.508 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.065 -1.578 3.699 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.027 -2.340 2.448 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.788 -1.973 5.191 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.075 -4.245 2.493 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.520 -5.020 3.151 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.627 -2.999 6.041 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.395 -4.318 5.151 1.00 0.00 H new ATOM 113 N LYS A 8 -0.710 -6.821 2.644 1.00 0.00 N ATOM 114 CA LYS A 8 -1.382 -7.993 2.101 1.00 0.00 C ATOM 115 C LYS A 8 -2.772 -7.645 1.574 1.00 0.00 C ATOM 116 O LYS A 8 -3.450 -6.749 2.090 1.00 0.00 O ATOM 117 CB LYS A 8 -1.478 -9.097 3.159 1.00 0.00 C ATOM 118 CG LYS A 8 -2.249 -8.700 4.410 1.00 0.00 C ATOM 119 CD LYS A 8 -2.248 -9.817 5.444 1.00 0.00 C ATOM 120 CE LYS A 8 -2.926 -11.073 4.916 1.00 0.00 C ATOM 121 NZ LYS A 8 -2.873 -12.189 5.901 1.00 0.00 N ATOM 0 H LYS A 8 -0.640 -6.812 3.662 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.786 -8.357 1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.955 -9.970 2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.470 -9.397 3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.806 -7.803 4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.276 -8.452 4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.222 -10.049 5.728 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.759 -9.479 6.345 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.966 -10.850 4.675 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.444 -11.384 3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.345 -13.026 5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.881 -12.419 6.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.356 -11.902 6.777 1.00 0.00 H new ATOM 135 N GLY A 9 -3.186 -8.362 0.540 1.00 0.00 N ATOM 136 CA GLY A 9 -4.485 -8.140 -0.062 1.00 0.00 C ATOM 137 C GLY A 9 -4.466 -7.032 -1.088 1.00 0.00 C ATOM 138 O GLY A 9 -4.659 -7.280 -2.276 1.00 0.00 O ATOM 0 H GLY A 9 -2.638 -9.103 0.102 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.825 -9.062 -0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.206 -7.896 0.718 1.00 0.00 H new ATOM 142 N HIS A 10 -4.218 -5.820 -0.621 1.00 0.00 N ATOM 143 CA HIS A 10 -4.148 -4.640 -1.482 1.00 0.00 C ATOM 144 C HIS A 10 -3.877 -3.393 -0.651 1.00 0.00 C ATOM 145 O HIS A 10 -3.801 -3.464 0.580 1.00 0.00 O ATOM 146 CB HIS A 10 -5.431 -4.452 -2.322 1.00 0.00 C ATOM 147 CG HIS A 10 -6.707 -4.271 -1.541 1.00 0.00 C ATOM 148 ND1 HIS A 10 -7.928 -4.062 -2.152 1.00 0.00 N ATOM 149 CD2 HIS A 10 -6.958 -4.274 -0.207 1.00 0.00 C ATOM 150 CE1 HIS A 10 -8.868 -3.946 -1.232 1.00 0.00 C ATOM 151 NE2 HIS A 10 -8.307 -4.071 -0.045 1.00 0.00 N ATOM 0 H HIS A 10 -4.059 -5.621 0.367 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.324 -4.797 -2.177 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.296 -3.584 -2.967 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.546 -5.318 -2.973 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -6.232 -4.411 0.581 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -9.918 -3.777 -1.420 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -8.796 -4.024 0.849 1.00 0.00 H new ATOM 160 N CYS A 11 -3.743 -2.265 -1.334 1.00 0.00 N ATOM 161 CA CYS A 11 -3.486 -0.979 -0.692 1.00 0.00 C ATOM 162 C CYS A 11 -4.648 -0.562 0.201 1.00 0.00 C ATOM 163 O CYS A 11 -5.747 -1.123 0.118 1.00 0.00 O ATOM 164 CB CYS A 11 -3.283 0.099 -1.756 1.00 0.00 C ATOM 165 SG CYS A 11 -2.172 -0.388 -3.114 1.00 0.00 S ATOM 0 H CYS A 11 -3.809 -2.213 -2.351 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.590 -1.088 -0.081 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.253 0.367 -2.174 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.883 0.994 -1.278 1.00 0.00 H new ATOM 170 N LYS A 12 -4.408 0.451 1.023 1.00 0.00 N ATOM 171 CA LYS A 12 -5.435 0.989 1.897 1.00 0.00 C ATOM 172 C LYS A 12 -6.455 1.719 1.033 1.00 0.00 C ATOM 173 O LYS A 12 -6.124 2.151 -0.073 1.00 0.00 O ATOM 174 CB LYS A 12 -4.816 1.959 2.906 1.00 0.00 C ATOM 175 CG LYS A 12 -5.676 2.238 4.129 1.00 0.00 C ATOM 176 CD LYS A 12 -5.456 3.648 4.672 1.00 0.00 C ATOM 177 CE LYS A 12 -3.980 4.036 4.722 1.00 0.00 C ATOM 178 NZ LYS A 12 -3.175 3.120 5.573 1.00 0.00 N ATOM 0 H LYS A 12 -3.504 0.917 1.101 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.915 0.182 2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.858 1.556 3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.608 2.903 2.402 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.727 2.109 3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.447 1.510 4.907 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.994 4.361 4.048 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.880 3.718 5.674 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.574 4.036 3.710 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.889 5.053 5.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.696 3.668 6.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.800 2.414 6.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.465 2.636 4.987 1.00 0.00 H new ATOM 192 N ARG A 13 -7.680 1.849 1.517 1.00 0.00 N ATOM 193 CA ARG A 13 -8.728 2.528 0.762 1.00 0.00 C ATOM 194 C ARG A 13 -8.453 4.028 0.680 1.00 0.00 C ATOM 195 O ARG A 13 -9.062 4.833 1.388 1.00 0.00 O ATOM 196 CB ARG A 13 -10.096 2.259 1.393 1.00 0.00 C ATOM 197 CG ARG A 13 -11.263 2.850 0.616 1.00 0.00 C ATOM 198 CD ARG A 13 -12.577 2.675 1.365 1.00 0.00 C ATOM 199 NE ARG A 13 -12.547 3.301 2.692 1.00 0.00 N ATOM 200 CZ ARG A 13 -12.499 4.621 2.906 1.00 0.00 C ATOM 201 NH1 ARG A 13 -12.540 5.470 1.882 1.00 0.00 N ATOM 202 NH2 ARG A 13 -12.425 5.090 4.147 1.00 0.00 N ATOM 0 H ARG A 13 -7.975 1.495 2.427 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.733 2.133 -0.254 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.239 1.182 1.480 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.104 2.664 2.405 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.083 3.910 0.437 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.332 2.370 -0.360 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -13.388 3.108 0.779 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.794 1.612 1.472 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.564 2.688 3.507 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.608 5.116 0.928 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.503 6.475 2.051 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.405 4.444 4.936 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.388 6.096 4.311 1.00 0.00 H new ATOM 216 N GLY A 14 -7.515 4.381 -0.180 1.00 0.00 N ATOM 217 CA GLY A 14 -7.136 5.761 -0.355 1.00 0.00 C ATOM 218 C GLY A 14 -5.665 5.901 -0.681 1.00 0.00 C ATOM 219 O GLY A 14 -5.214 6.968 -1.096 1.00 0.00 O ATOM 0 H GLY A 14 -7.003 3.724 -0.768 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.730 6.203 -1.155 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.362 6.318 0.554 1.00 0.00 H new ATOM 223 N ASP A 15 -4.910 4.825 -0.483 1.00 0.00 N ATOM 224 CA ASP A 15 -3.471 4.847 -0.748 1.00 0.00 C ATOM 225 C ASP A 15 -3.165 4.881 -2.240 1.00 0.00 C ATOM 226 O ASP A 15 -4.059 5.002 -3.077 1.00 0.00 O ATOM 227 CB ASP A 15 -2.775 3.637 -0.121 1.00 0.00 C ATOM 228 CG ASP A 15 -2.564 3.777 1.373 1.00 0.00 C ATOM 229 OD1 ASP A 15 -2.911 4.836 1.941 1.00 0.00 O ATOM 230 OD2 ASP A 15 -2.046 2.822 1.989 1.00 0.00 O ATOM 0 H ASP A 15 -5.265 3.932 -0.142 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.089 5.761 -0.295 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.369 2.744 -0.315 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.810 3.490 -0.605 1.00 0.00 H new ATOM 235 N ARG A 16 -1.886 4.762 -2.558 1.00 0.00 N ATOM 236 CA ARG A 16 -1.427 4.766 -3.940 1.00 0.00 C ATOM 237 C ARG A 16 -0.623 3.501 -4.201 1.00 0.00 C ATOM 238 O ARG A 16 0.363 3.241 -3.512 1.00 0.00 O ATOM 239 CB ARG A 16 -0.556 5.996 -4.213 1.00 0.00 C ATOM 240 CG ARG A 16 -1.159 7.301 -3.715 1.00 0.00 C ATOM 241 CD ARG A 16 -0.202 8.467 -3.920 1.00 0.00 C ATOM 242 NE ARG A 16 -0.574 9.647 -3.129 1.00 0.00 N ATOM 243 CZ ARG A 16 -0.513 9.705 -1.793 1.00 0.00 C ATOM 244 NH1 ARG A 16 -0.105 8.650 -1.098 1.00 0.00 N ATOM 245 NH2 ARG A 16 -0.855 10.823 -1.158 1.00 0.00 N ATOM 0 H ARG A 16 -1.139 4.660 -1.871 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.292 4.800 -4.603 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.416 5.853 -3.741 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.381 6.074 -5.286 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.093 7.497 -4.242 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.404 7.210 -2.657 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.807 8.156 -3.650 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.181 8.734 -4.977 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.899 10.474 -3.629 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.163 7.793 -1.582 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.059 8.696 -0.080 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.164 11.637 -1.689 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.808 10.866 -0.140 1.00 0.00 H new ATOM 259 N VAL A 17 -1.049 2.714 -5.174 1.00 0.00 N ATOM 260 CA VAL A 17 -0.369 1.468 -5.498 1.00 0.00 C ATOM 261 C VAL A 17 0.918 1.704 -6.285 1.00 0.00 C ATOM 262 O VAL A 17 0.977 2.546 -7.181 1.00 0.00 O ATOM 263 CB VAL A 17 -1.295 0.503 -6.277 1.00 0.00 C ATOM 264 CG1 VAL A 17 -1.786 1.136 -7.572 1.00 0.00 C ATOM 265 CG2 VAL A 17 -0.601 -0.825 -6.555 1.00 0.00 C ATOM 0 H VAL A 17 -1.863 2.914 -5.755 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.103 1.006 -4.547 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.163 0.304 -5.648 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.434 0.434 -8.097 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.344 2.044 -7.344 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.932 1.383 -8.203 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.277 -1.481 -7.103 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.296 -0.650 -7.149 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.325 -1.296 -5.611 1.00 0.00 H new ATOM 275 N ARG A 18 1.936 0.935 -5.942 1.00 0.00 N ATOM 276 CA ARG A 18 3.228 1.005 -6.609 1.00 0.00 C ATOM 277 C ARG A 18 3.433 -0.249 -7.433 1.00 0.00 C ATOM 278 O ARG A 18 3.883 -0.199 -8.574 1.00 0.00 O ATOM 279 CB ARG A 18 4.369 1.139 -5.602 1.00 0.00 C ATOM 280 CG ARG A 18 4.456 2.496 -4.933 1.00 0.00 C ATOM 281 CD ARG A 18 4.773 3.594 -5.935 1.00 0.00 C ATOM 282 NE ARG A 18 5.082 4.858 -5.269 1.00 0.00 N ATOM 283 CZ ARG A 18 5.358 5.994 -5.907 1.00 0.00 C ATOM 284 NH1 ARG A 18 5.329 6.037 -7.236 1.00 0.00 N ATOM 285 NH2 ARG A 18 5.654 7.088 -5.211 1.00 0.00 N ATOM 0 H ARG A 18 1.892 0.244 -5.193 1.00 0.00 H new ATOM 0 HA ARG A 18 3.234 1.887 -7.250 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.251 0.375 -4.833 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.312 0.937 -6.110 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.512 2.718 -4.435 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.226 2.473 -4.161 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.619 3.291 -6.552 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.924 3.733 -6.604 1.00 0.00 H new ATOM 0 HE ARG A 18 5.087 4.871 -4.249 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.095 5.199 -7.768 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.541 6.908 -7.723 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.669 7.055 -4.192 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.866 7.960 -5.697 1.00 0.00 H new ATOM 299 N GLY A 19 3.093 -1.375 -6.831 1.00 0.00 N ATOM 300 CA GLY A 19 3.233 -2.650 -7.502 1.00 0.00 C ATOM 301 C GLY A 19 3.000 -3.810 -6.564 1.00 0.00 C ATOM 302 O GLY A 19 2.250 -3.693 -5.598 1.00 0.00 O ATOM 0 H GLY A 19 2.720 -1.430 -5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.525 -2.704 -8.329 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.232 -2.726 -7.932 1.00 0.00 H new ATOM 306 N THR A 20 3.647 -4.924 -6.842 1.00 0.00 N ATOM 307 CA THR A 20 3.520 -6.112 -6.018 1.00 0.00 C ATOM 308 C THR A 20 4.632 -6.174 -4.976 1.00 0.00 C ATOM 309 O THR A 20 5.728 -5.664 -5.198 1.00 0.00 O ATOM 310 CB THR A 20 3.549 -7.386 -6.881 1.00 0.00 C ATOM 311 OG1 THR A 20 4.581 -7.274 -7.870 1.00 0.00 O ATOM 312 CG2 THR A 20 2.206 -7.615 -7.559 1.00 0.00 C ATOM 0 H THR A 20 4.272 -5.033 -7.640 1.00 0.00 H new ATOM 0 HA THR A 20 2.559 -6.055 -5.506 1.00 0.00 H new ATOM 0 HB THR A 20 3.754 -8.238 -6.233 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.599 -8.087 -8.417 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.253 -8.521 -8.163 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.430 -7.723 -6.801 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.972 -6.764 -8.199 1.00 0.00 H new ATOM 320 N CYS A 21 4.343 -6.795 -3.843 1.00 0.00 N ATOM 321 CA CYS A 21 5.320 -6.919 -2.773 1.00 0.00 C ATOM 322 C CYS A 21 5.747 -8.371 -2.620 1.00 0.00 C ATOM 323 O CYS A 21 6.934 -8.683 -2.558 1.00 0.00 O ATOM 324 CB CYS A 21 4.716 -6.407 -1.469 1.00 0.00 C ATOM 325 SG CYS A 21 5.768 -6.631 -0.002 1.00 0.00 S ATOM 0 H CYS A 21 3.439 -7.221 -3.641 1.00 0.00 H new ATOM 0 HA CYS A 21 6.199 -6.323 -3.018 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.493 -5.346 -1.580 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.767 -6.916 -1.300 1.00 0.00 H new ATOM 330 N GLY A 22 4.764 -9.251 -2.573 1.00 0.00 N ATOM 331 CA GLY A 22 5.034 -10.664 -2.439 1.00 0.00 C ATOM 332 C GLY A 22 3.787 -11.487 -2.650 1.00 0.00 C ATOM 333 O GLY A 22 2.837 -11.019 -3.285 1.00 0.00 O ATOM 0 H GLY A 22 3.774 -9.010 -2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.794 -10.961 -3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.441 -10.866 -1.448 1.00 0.00 H new ATOM 337 N ILE A 23 3.777 -12.701 -2.114 1.00 0.00 N ATOM 338 CA ILE A 23 2.626 -13.583 -2.248 1.00 0.00 C ATOM 339 C ILE A 23 1.410 -12.971 -1.576 1.00 0.00 C ATOM 340 O ILE A 23 1.291 -12.980 -0.355 1.00 0.00 O ATOM 341 CB ILE A 23 2.883 -14.965 -1.629 1.00 0.00 C ATOM 342 CG1 ILE A 23 4.253 -15.502 -2.053 1.00 0.00 C ATOM 343 CG2 ILE A 23 1.779 -15.935 -2.034 1.00 0.00 C ATOM 344 CD1 ILE A 23 4.629 -16.810 -1.387 1.00 0.00 C ATOM 0 H ILE A 23 4.553 -13.097 -1.583 1.00 0.00 H new ATOM 0 HA ILE A 23 2.447 -13.707 -3.316 1.00 0.00 H new ATOM 0 HB ILE A 23 2.879 -14.865 -0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.260 -15.640 -3.134 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.013 -14.756 -1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.972 -16.911 -1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.818 -15.560 -1.683 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.757 -16.029 -3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.611 -17.127 -1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.655 -16.673 -0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.891 -17.572 -1.638 1.00 0.00 H new ATOM 356 N ARG A 24 0.527 -12.440 -2.402 1.00 0.00 N ATOM 357 CA ARG A 24 -0.705 -11.792 -1.957 1.00 0.00 C ATOM 358 C ARG A 24 -0.419 -10.494 -1.196 1.00 0.00 C ATOM 359 O ARG A 24 -1.228 -10.063 -0.373 1.00 0.00 O ATOM 360 CB ARG A 24 -1.554 -12.737 -1.095 1.00 0.00 C ATOM 361 CG ARG A 24 -2.039 -13.974 -1.835 1.00 0.00 C ATOM 362 CD ARG A 24 -2.885 -13.610 -3.049 1.00 0.00 C ATOM 363 NE ARG A 24 -4.110 -12.886 -2.687 1.00 0.00 N ATOM 364 CZ ARG A 24 -5.156 -13.435 -2.057 1.00 0.00 C ATOM 365 NH1 ARG A 24 -5.147 -14.726 -1.735 1.00 0.00 N ATOM 366 NH2 ARG A 24 -6.217 -12.690 -1.761 1.00 0.00 N ATOM 0 H ARG A 24 0.642 -12.444 -3.415 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.272 -11.541 -2.853 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.969 -13.049 -0.230 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.417 -12.190 -0.716 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.182 -14.567 -2.154 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.623 -14.597 -1.158 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.293 -12.998 -3.729 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.151 -14.519 -3.588 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.168 -11.898 -2.932 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.340 -15.304 -1.968 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.947 -15.137 -1.255 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.233 -11.702 -2.014 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.015 -13.107 -1.281 1.00 0.00 H new ATOM 380 N PHE A 25 0.707 -9.853 -1.504 1.00 0.00 N ATOM 381 CA PHE A 25 1.065 -8.585 -0.877 1.00 0.00 C ATOM 382 C PHE A 25 1.354 -7.566 -1.961 1.00 0.00 C ATOM 383 O PHE A 25 1.997 -7.885 -2.964 1.00 0.00 O ATOM 384 CB PHE A 25 2.299 -8.692 0.030 1.00 0.00 C ATOM 385 CG PHE A 25 2.081 -9.391 1.349 1.00 0.00 C ATOM 386 CD1 PHE A 25 1.620 -10.694 1.407 1.00 0.00 C ATOM 387 CD2 PHE A 25 2.351 -8.732 2.539 1.00 0.00 C ATOM 388 CE1 PHE A 25 1.434 -11.328 2.621 1.00 0.00 C ATOM 389 CE2 PHE A 25 2.165 -9.359 3.756 1.00 0.00 C ATOM 390 CZ PHE A 25 1.706 -10.659 3.797 1.00 0.00 C ATOM 0 H PHE A 25 1.387 -10.192 -2.185 1.00 0.00 H new ATOM 0 HA PHE A 25 0.222 -8.285 -0.254 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.083 -9.218 -0.514 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.669 -7.686 0.229 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.402 -11.223 0.491 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.712 -7.714 2.514 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.076 -12.347 2.649 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.379 -8.832 4.674 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.560 -11.152 4.747 1.00 0.00 H new ATOM 400 N LEU A 26 0.892 -6.352 -1.760 1.00 0.00 N ATOM 401 CA LEU A 26 1.108 -5.285 -2.718 1.00 0.00 C ATOM 402 C LEU A 26 1.922 -4.170 -2.089 1.00 0.00 C ATOM 403 O LEU A 26 1.858 -3.939 -0.880 1.00 0.00 O ATOM 404 CB LEU A 26 -0.217 -4.718 -3.243 1.00 0.00 C ATOM 405 CG LEU A 26 -0.973 -5.595 -4.251 1.00 0.00 C ATOM 406 CD1 LEU A 26 -1.611 -6.797 -3.572 1.00 0.00 C ATOM 407 CD2 LEU A 26 -2.028 -4.771 -4.975 1.00 0.00 C ATOM 0 H LEU A 26 0.360 -6.075 -0.935 1.00 0.00 H new ATOM 0 HA LEU A 26 1.655 -5.709 -3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.872 -4.531 -2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.017 -3.753 -3.709 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.253 -5.969 -4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.138 -7.397 -4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.837 -7.402 -3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.316 -6.455 -2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.558 -5.403 -5.687 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.736 -4.369 -4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.547 -3.950 -5.507 1.00 0.00 H new ATOM 419 N TYR A 27 2.670 -3.477 -2.920 1.00 0.00 N ATOM 420 CA TYR A 27 3.485 -2.365 -2.472 1.00 0.00 C ATOM 421 C TYR A 27 2.730 -1.075 -2.758 1.00 0.00 C ATOM 422 O TYR A 27 2.401 -0.794 -3.917 1.00 0.00 O ATOM 423 CB TYR A 27 4.837 -2.377 -3.193 1.00 0.00 C ATOM 424 CG TYR A 27 5.852 -1.413 -2.622 1.00 0.00 C ATOM 425 CD1 TYR A 27 6.087 -1.350 -1.256 1.00 0.00 C ATOM 426 CD2 TYR A 27 6.580 -0.572 -3.453 1.00 0.00 C ATOM 427 CE1 TYR A 27 7.018 -0.474 -0.733 1.00 0.00 C ATOM 428 CE2 TYR A 27 7.514 0.306 -2.938 1.00 0.00 C ATOM 429 CZ TYR A 27 7.728 0.352 -1.578 1.00 0.00 C ATOM 430 OH TYR A 27 8.653 1.228 -1.061 1.00 0.00 O ATOM 0 H TYR A 27 2.732 -3.666 -3.920 1.00 0.00 H new ATOM 0 HA TYR A 27 3.680 -2.445 -1.403 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.248 -3.386 -3.154 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.678 -2.139 -4.245 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.533 -1.996 -0.591 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.413 -0.605 -4.520 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.189 -0.436 0.333 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.073 0.953 -3.598 1.00 0.00 H new ATOM 0 HH TYR A 27 9.066 1.736 -1.790 1.00 0.00 H new ATOM 440 N CYS A 28 2.428 -0.315 -1.711 1.00 0.00 N ATOM 441 CA CYS A 28 1.673 0.924 -1.861 1.00 0.00 C ATOM 442 C CYS A 28 2.194 2.007 -0.924 1.00 0.00 C ATOM 443 O CYS A 28 2.953 1.732 0.000 1.00 0.00 O ATOM 444 CB CYS A 28 0.194 0.681 -1.559 1.00 0.00 C ATOM 445 SG CYS A 28 -0.457 -0.909 -2.170 1.00 0.00 S ATOM 0 H CYS A 28 2.694 -0.534 -0.751 1.00 0.00 H new ATOM 0 HA CYS A 28 1.794 1.259 -2.891 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.045 0.729 -0.480 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.390 1.490 -1.998 1.00 0.00 H new ATOM 450 N CYS A 29 1.773 3.237 -1.167 1.00 0.00 N ATOM 451 CA CYS A 29 2.184 4.368 -0.347 1.00 0.00 C ATOM 452 C CYS A 29 0.961 5.003 0.309 1.00 0.00 C ATOM 453 O CYS A 29 -0.045 5.254 -0.361 1.00 0.00 O ATOM 454 CB CYS A 29 2.917 5.398 -1.202 1.00 0.00 C ATOM 455 SG CYS A 29 3.987 4.657 -2.476 1.00 0.00 S ATOM 0 H CYS A 29 1.142 3.480 -1.931 1.00 0.00 H new ATOM 0 HA CYS A 29 2.861 4.015 0.431 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.184 6.044 -1.685 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.523 6.031 -0.554 1.00 0.00 H new ATOM 460 N PRO A 30 1.031 5.256 1.625 1.00 0.00 N ATOM 461 CA PRO A 30 -0.073 5.845 2.398 1.00 0.00 C ATOM 462 C PRO A 30 -0.514 7.214 1.885 1.00 0.00 C ATOM 463 O PRO A 30 0.319 8.057 1.521 1.00 0.00 O ATOM 464 CB PRO A 30 0.497 5.973 3.817 1.00 0.00 C ATOM 465 CG PRO A 30 1.974 5.872 3.655 1.00 0.00 C ATOM 466 CD PRO A 30 2.193 4.969 2.477 1.00 0.00 C ATOM 0 HA PRO A 30 -0.966 5.224 2.330 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.215 6.923 4.271 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.117 5.184 4.467 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.417 6.853 3.484 1.00 0.00 H new ATOM 0 HG3 PRO A 30 2.439 5.464 4.552 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.132 5.189 1.968 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.229 3.920 2.772 1.00 0.00 H new ATOM 474 N ARG A 31 -1.830 7.425 1.859 1.00 0.00 N ATOM 475 CA ARG A 31 -2.410 8.684 1.400 1.00 0.00 C ATOM 476 C ARG A 31 -1.861 9.852 2.213 1.00 0.00 C ATOM 477 O ARG A 31 -1.255 10.771 1.656 1.00 0.00 O ATOM 478 CB ARG A 31 -3.940 8.648 1.518 1.00 0.00 C ATOM 479 CG ARG A 31 -4.612 9.986 1.228 1.00 0.00 C ATOM 480 CD ARG A 31 -4.420 10.411 -0.220 1.00 0.00 C ATOM 481 NE ARG A 31 -5.248 9.627 -1.134 1.00 0.00 N ATOM 482 CZ ARG A 31 -6.521 9.903 -1.424 1.00 0.00 C ATOM 483 NH1 ARG A 31 -7.101 10.997 -0.934 1.00 0.00 N ATOM 484 NH2 ARG A 31 -7.210 9.085 -2.212 1.00 0.00 N ATOM 0 H ARG A 31 -2.519 6.732 2.154 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.139 8.820 0.353 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.331 7.899 0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.210 8.327 2.524 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.677 9.913 1.448 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.202 10.750 1.889 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.666 11.468 -0.324 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.371 10.300 -0.495 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.824 8.814 -1.581 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.572 11.629 -0.333 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.074 11.203 -1.159 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.766 8.250 -2.593 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.183 9.292 -2.436 1.00 0.00 H new ATOM 498 N ARG A 32 -2.062 9.794 3.522 1.00 0.00 N ATOM 499 CA ARG A 32 -1.579 10.830 4.420 1.00 0.00 C ATOM 500 C ARG A 32 -0.090 10.651 4.663 1.00 0.00 C ATOM 501 O ARG A 32 0.356 9.492 4.754 1.00 0.00 O ATOM 502 CB ARG A 32 -2.341 10.794 5.749 1.00 0.00 C ATOM 503 CG ARG A 32 -1.811 11.776 6.784 1.00 0.00 C ATOM 504 CD ARG A 32 -1.861 13.211 6.274 1.00 0.00 C ATOM 505 NE ARG A 32 -1.211 14.148 7.194 1.00 0.00 N ATOM 506 CZ ARG A 32 0.110 14.209 7.399 1.00 0.00 C ATOM 507 NH1 ARG A 32 0.943 13.440 6.701 1.00 0.00 N ATOM 508 NH2 ARG A 32 0.601 15.063 8.295 1.00 0.00 N ATOM 509 OXT ARG A 32 0.631 11.665 4.731 1.00 0.00 O ATOM 0 H ARG A 32 -2.560 9.035 3.987 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.750 11.801 3.955 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.393 11.010 5.561 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.291 9.785 6.159 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.398 11.694 7.698 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.784 11.516 7.040 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.376 13.266 5.300 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.900 13.508 6.130 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.804 14.796 7.712 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.576 12.795 6.001 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.948 13.496 6.866 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.029 15.668 8.822 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.607 15.113 8.454 1.00 0.00 H new TER 523 ARG A 32