USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=5 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+ -150:sc= 0.781 (180deg=-1.56!) USER MOD Single : A 5 TYR OH : rot 30:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.54) USER MOD Single : A 12 LYS NZ :NH3+ -143:sc= 1.12 (180deg=-0.457) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00761 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.102 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.008 13.751 0.433 1.00 0.00 N ATOM 2 CA GLY A 1 2.011 14.080 -0.608 1.00 0.00 C ATOM 3 C GLY A 1 2.686 12.834 -1.128 1.00 0.00 C ATOM 4 O GLY A 1 2.079 11.766 -1.135 1.00 0.00 O ATOM 0 H1 GLY A 1 0.244 14.456 0.414 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.613 12.807 0.248 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.463 13.759 1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.526 14.605 -1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.759 14.757 -0.195 1.00 0.00 H new ATOM 10 N LEU A 2 3.941 12.955 -1.545 1.00 0.00 N ATOM 11 CA LEU A 2 4.675 11.804 -2.045 1.00 0.00 C ATOM 12 C LEU A 2 5.022 10.862 -0.909 1.00 0.00 C ATOM 13 O LEU A 2 5.724 11.235 0.031 1.00 0.00 O ATOM 14 CB LEU A 2 5.944 12.221 -2.789 1.00 0.00 C ATOM 15 CG LEU A 2 5.735 12.687 -4.232 1.00 0.00 C ATOM 16 CD1 LEU A 2 4.813 11.736 -4.980 1.00 0.00 C ATOM 17 CD2 LEU A 2 5.199 14.112 -4.274 1.00 0.00 C ATOM 0 H LEU A 2 4.465 13.830 -1.546 1.00 0.00 H new ATOM 0 HA LEU A 2 4.028 11.287 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.424 13.025 -2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.636 11.379 -2.794 1.00 0.00 H new ATOM 0 HG LEU A 2 6.704 12.680 -4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 2 4.680 12.088 -6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.253 10.739 -4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 2 3.845 11.699 -4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.060 14.418 -5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.244 14.157 -3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.909 14.782 -3.790 1.00 0.00 H new ATOM 29 N LEU A 3 4.507 9.650 -1.015 1.00 0.00 N ATOM 30 CA LEU A 3 4.714 8.610 -0.023 1.00 0.00 C ATOM 31 C LEU A 3 3.948 7.372 -0.458 1.00 0.00 C ATOM 32 O LEU A 3 2.818 7.480 -0.926 1.00 0.00 O ATOM 33 CB LEU A 3 4.225 9.072 1.357 1.00 0.00 C ATOM 34 CG LEU A 3 4.559 8.136 2.520 1.00 0.00 C ATOM 35 CD1 LEU A 3 6.064 7.967 2.661 1.00 0.00 C ATOM 36 CD2 LEU A 3 3.960 8.672 3.813 1.00 0.00 C ATOM 0 H LEU A 3 3.927 9.357 -1.801 1.00 0.00 H new ATOM 0 HA LEU A 3 5.778 8.387 0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.655 10.052 1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.143 9.201 1.316 1.00 0.00 H new ATOM 0 HG LEU A 3 4.126 7.158 2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.278 7.298 3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.470 7.545 1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.523 8.938 2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.204 7.998 4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.369 9.660 4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.877 8.742 3.711 1.00 0.00 H new ATOM 48 N CYS A 4 4.555 6.209 -0.323 1.00 0.00 N ATOM 49 CA CYS A 4 3.904 4.968 -0.720 1.00 0.00 C ATOM 50 C CYS A 4 4.310 3.829 0.202 1.00 0.00 C ATOM 51 O CYS A 4 5.373 3.869 0.823 1.00 0.00 O ATOM 52 CB CYS A 4 4.262 4.591 -2.154 1.00 0.00 C ATOM 53 SG CYS A 4 4.003 5.904 -3.391 1.00 0.00 S ATOM 0 H CYS A 4 5.495 6.094 0.057 1.00 0.00 H new ATOM 0 HA CYS A 4 2.829 5.131 -0.651 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.309 4.289 -2.182 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.671 3.721 -2.442 1.00 0.00 H new ATOM 58 N TYR A 5 3.457 2.819 0.278 1.00 0.00 N ATOM 59 CA TYR A 5 3.709 1.650 1.119 1.00 0.00 C ATOM 60 C TYR A 5 3.129 0.387 0.495 1.00 0.00 C ATOM 61 O TYR A 5 2.072 0.419 -0.136 1.00 0.00 O ATOM 62 CB TYR A 5 3.091 1.808 2.513 1.00 0.00 C ATOM 63 CG TYR A 5 3.722 2.877 3.380 1.00 0.00 C ATOM 64 CD1 TYR A 5 4.791 2.574 4.213 1.00 0.00 C ATOM 65 CD2 TYR A 5 3.248 4.183 3.368 1.00 0.00 C ATOM 66 CE1 TYR A 5 5.371 3.540 5.010 1.00 0.00 C ATOM 67 CE2 TYR A 5 3.823 5.155 4.164 1.00 0.00 C ATOM 68 CZ TYR A 5 4.884 4.828 4.981 1.00 0.00 C ATOM 69 OH TYR A 5 5.455 5.794 5.776 1.00 0.00 O ATOM 0 H TYR A 5 2.576 2.782 -0.235 1.00 0.00 H new ATOM 0 HA TYR A 5 4.792 1.567 1.205 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.031 2.034 2.399 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.160 0.853 3.034 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.175 1.565 4.238 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.418 4.442 2.727 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.202 3.288 5.652 1.00 0.00 H new ATOM 0 HE2 TYR A 5 3.443 6.166 4.146 1.00 0.00 H new ATOM 0 HH TYR A 5 6.403 5.587 5.912 1.00 0.00 H new ATOM 79 N CYS A 6 3.816 -0.723 0.712 1.00 0.00 N ATOM 80 CA CYS A 6 3.365 -2.018 0.221 1.00 0.00 C ATOM 81 C CYS A 6 2.416 -2.633 1.232 1.00 0.00 C ATOM 82 O CYS A 6 2.715 -2.681 2.426 1.00 0.00 O ATOM 83 CB CYS A 6 4.535 -2.975 0.005 1.00 0.00 C ATOM 84 SG CYS A 6 5.675 -2.504 -1.332 1.00 0.00 S ATOM 0 H CYS A 6 4.695 -0.754 1.229 1.00 0.00 H new ATOM 0 HA CYS A 6 2.866 -1.859 -0.735 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.100 -3.050 0.934 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.139 -3.968 -0.208 1.00 0.00 H new ATOM 89 N ARG A 7 1.280 -3.099 0.762 1.00 0.00 N ATOM 90 CA ARG A 7 0.296 -3.711 1.648 1.00 0.00 C ATOM 91 C ARG A 7 -0.237 -5.005 1.063 1.00 0.00 C ATOM 92 O ARG A 7 -0.310 -5.170 -0.154 1.00 0.00 O ATOM 93 CB ARG A 7 -0.847 -2.746 1.953 1.00 0.00 C ATOM 94 CG ARG A 7 -0.364 -1.436 2.541 1.00 0.00 C ATOM 95 CD ARG A 7 -1.492 -0.638 3.158 1.00 0.00 C ATOM 96 NE ARG A 7 -1.046 0.694 3.554 1.00 0.00 N ATOM 97 CZ ARG A 7 -0.199 0.956 4.546 1.00 0.00 C ATOM 98 NH1 ARG A 7 0.238 -0.017 5.342 1.00 0.00 N ATOM 99 NH2 ARG A 7 0.198 2.205 4.743 1.00 0.00 N ATOM 0 H ARG A 7 1.009 -3.070 -0.221 1.00 0.00 H new ATOM 0 HA ARG A 7 0.799 -3.946 2.586 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.402 -2.546 1.037 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.540 -3.218 2.649 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.394 -1.637 3.298 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.114 -0.844 1.761 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.312 -0.552 2.445 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.881 -1.167 4.028 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.413 1.487 3.028 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.076 -0.976 5.195 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.887 0.196 6.099 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.146 2.951 4.138 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.847 2.420 5.500 1.00 0.00 H new ATOM 113 N LYS A 8 -0.582 -5.925 1.946 1.00 0.00 N ATOM 114 CA LYS A 8 -1.085 -7.228 1.544 1.00 0.00 C ATOM 115 C LYS A 8 -2.557 -7.182 1.153 1.00 0.00 C ATOM 116 O LYS A 8 -3.410 -6.754 1.935 1.00 0.00 O ATOM 117 CB LYS A 8 -0.899 -8.245 2.674 1.00 0.00 C ATOM 118 CG LYS A 8 0.548 -8.490 3.053 1.00 0.00 C ATOM 119 CD LYS A 8 0.672 -9.513 4.174 1.00 0.00 C ATOM 120 CE LYS A 8 0.029 -9.018 5.462 1.00 0.00 C ATOM 121 NZ LYS A 8 0.140 -10.019 6.559 1.00 0.00 N ATOM 0 H LYS A 8 -0.522 -5.792 2.956 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.510 -7.531 0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.440 -7.897 3.554 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.350 -9.191 2.375 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.099 -8.839 2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.006 -7.551 3.365 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.201 -10.447 3.868 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.725 -9.731 4.353 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.505 -8.087 5.771 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.022 -8.794 5.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.310 -9.644 7.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.336 -10.899 6.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.143 -10.214 6.751 1.00 0.00 H new ATOM 135 N GLY A 9 -2.844 -7.669 -0.041 1.00 0.00 N ATOM 136 CA GLY A 9 -4.209 -7.738 -0.527 1.00 0.00 C ATOM 137 C GLY A 9 -4.798 -6.424 -0.999 1.00 0.00 C ATOM 138 O GLY A 9 -5.400 -6.373 -2.068 1.00 0.00 O ATOM 0 H GLY A 9 -2.146 -8.024 -0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.248 -8.451 -1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.840 -8.135 0.268 1.00 0.00 H new ATOM 142 N HIS A 10 -4.665 -5.370 -0.208 1.00 0.00 N ATOM 143 CA HIS A 10 -5.238 -4.078 -0.584 1.00 0.00 C ATOM 144 C HIS A 10 -4.730 -2.937 0.283 1.00 0.00 C ATOM 145 O HIS A 10 -4.205 -3.148 1.376 1.00 0.00 O ATOM 146 CB HIS A 10 -6.771 -4.117 -0.497 1.00 0.00 C ATOM 147 CG HIS A 10 -7.302 -4.376 0.885 1.00 0.00 C ATOM 148 ND1 HIS A 10 -7.064 -5.545 1.580 1.00 0.00 N ATOM 149 CD2 HIS A 10 -8.052 -3.603 1.707 1.00 0.00 C ATOM 150 CE1 HIS A 10 -7.643 -5.479 2.764 1.00 0.00 C ATOM 151 NE2 HIS A 10 -8.249 -4.311 2.868 1.00 0.00 N ATOM 0 H HIS A 10 -4.174 -5.378 0.686 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.922 -3.894 -1.611 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.169 -3.167 -0.855 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.142 -4.891 -1.168 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.426 -2.613 1.490 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.624 -6.250 3.520 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -8.777 -3.987 3.678 1.00 0.00 H new ATOM 160 N CYS A 11 -4.923 -1.734 -0.232 1.00 0.00 N ATOM 161 CA CYS A 11 -4.532 -0.501 0.439 1.00 0.00 C ATOM 162 C CYS A 11 -5.509 -0.164 1.555 1.00 0.00 C ATOM 163 O CYS A 11 -6.626 -0.692 1.594 1.00 0.00 O ATOM 164 CB CYS A 11 -4.541 0.647 -0.571 1.00 0.00 C ATOM 165 SG CYS A 11 -3.930 0.174 -2.218 1.00 0.00 S ATOM 0 H CYS A 11 -5.362 -1.582 -1.140 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.536 -0.638 0.860 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.558 1.028 -0.666 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.929 1.463 -0.186 1.00 0.00 H new ATOM 170 N LYS A 12 -5.118 0.752 2.426 1.00 0.00 N ATOM 171 CA LYS A 12 -6.006 1.192 3.486 1.00 0.00 C ATOM 172 C LYS A 12 -6.812 2.365 2.959 1.00 0.00 C ATOM 173 O LYS A 12 -6.379 3.028 2.014 1.00 0.00 O ATOM 174 CB LYS A 12 -5.243 1.600 4.755 1.00 0.00 C ATOM 175 CG LYS A 12 -4.301 2.777 4.560 1.00 0.00 C ATOM 176 CD LYS A 12 -3.865 3.381 5.885 1.00 0.00 C ATOM 177 CE LYS A 12 -4.961 4.246 6.489 1.00 0.00 C ATOM 178 NZ LYS A 12 -5.264 5.431 5.637 1.00 0.00 N ATOM 0 H LYS A 12 -4.202 1.200 2.420 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.656 0.364 3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.963 1.850 5.535 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.670 0.745 5.112 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.422 2.450 4.004 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.794 3.540 3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.603 2.584 6.581 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.967 3.981 5.735 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.865 3.650 6.618 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.655 4.580 7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.471 6.250 6.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.443 5.644 5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.089 5.226 5.038 1.00 0.00 H new ATOM 192 N ARG A 13 -7.976 2.620 3.546 1.00 0.00 N ATOM 193 CA ARG A 13 -8.816 3.726 3.096 1.00 0.00 C ATOM 194 C ARG A 13 -8.005 5.016 3.045 1.00 0.00 C ATOM 195 O ARG A 13 -7.531 5.509 4.075 1.00 0.00 O ATOM 196 CB ARG A 13 -10.024 3.901 4.022 1.00 0.00 C ATOM 197 CG ARG A 13 -11.005 2.738 3.983 1.00 0.00 C ATOM 198 CD ARG A 13 -11.589 2.543 2.592 1.00 0.00 C ATOM 199 NE ARG A 13 -12.592 1.478 2.560 1.00 0.00 N ATOM 200 CZ ARG A 13 -13.223 1.076 1.454 1.00 0.00 C ATOM 201 NH1 ARG A 13 -12.941 1.639 0.281 1.00 0.00 N ATOM 202 NH2 ARG A 13 -14.132 0.108 1.519 1.00 0.00 N ATOM 0 H ARG A 13 -8.357 2.084 4.325 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.179 3.495 2.095 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.670 4.030 5.045 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.549 4.816 3.749 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.500 1.825 4.297 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.811 2.917 4.695 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.041 3.476 2.255 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.787 2.306 1.893 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.824 1.013 3.438 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.241 2.379 0.226 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.424 1.330 -0.562 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.348 -0.329 2.415 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.613 -0.198 0.673 1.00 0.00 H new ATOM 216 N GLY A 14 -7.818 5.537 1.838 1.00 0.00 N ATOM 217 CA GLY A 14 -7.044 6.746 1.664 1.00 0.00 C ATOM 218 C GLY A 14 -5.940 6.590 0.636 1.00 0.00 C ATOM 219 O GLY A 14 -5.578 7.554 -0.041 1.00 0.00 O ATOM 0 H GLY A 14 -8.191 5.140 0.976 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.707 7.556 1.360 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.607 7.034 2.620 1.00 0.00 H new ATOM 223 N GLU A 15 -5.391 5.386 0.524 1.00 0.00 N ATOM 224 CA GLU A 15 -4.318 5.129 -0.415 1.00 0.00 C ATOM 225 C GLU A 15 -4.848 4.685 -1.765 1.00 0.00 C ATOM 226 O GLU A 15 -5.818 3.933 -1.859 1.00 0.00 O ATOM 227 CB GLU A 15 -3.386 4.071 0.150 1.00 0.00 C ATOM 228 CG GLU A 15 -2.747 4.486 1.454 1.00 0.00 C ATOM 229 CD GLU A 15 -2.089 3.325 2.151 1.00 0.00 C ATOM 230 OE1 GLU A 15 -2.668 2.218 2.121 1.00 0.00 O ATOM 231 OE2 GLU A 15 -1.020 3.516 2.764 1.00 0.00 O ATOM 0 H GLU A 15 -5.675 4.575 1.074 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.772 6.060 -0.564 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.944 3.147 0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.605 3.855 -0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.006 5.263 1.264 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.504 4.920 2.107 1.00 0.00 H new ATOM 238 N ARG A 16 -4.176 5.140 -2.797 1.00 0.00 N ATOM 239 CA ARG A 16 -4.512 4.796 -4.164 1.00 0.00 C ATOM 240 C ARG A 16 -3.478 3.806 -4.680 1.00 0.00 C ATOM 241 O ARG A 16 -2.286 3.958 -4.411 1.00 0.00 O ATOM 242 CB ARG A 16 -4.596 6.078 -5.024 1.00 0.00 C ATOM 243 CG ARG A 16 -3.853 6.039 -6.359 1.00 0.00 C ATOM 244 CD ARG A 16 -2.375 6.385 -6.198 1.00 0.00 C ATOM 245 NE ARG A 16 -2.172 7.653 -5.488 1.00 0.00 N ATOM 246 CZ ARG A 16 -2.347 8.863 -6.026 1.00 0.00 C ATOM 247 NH1 ARG A 16 -2.670 8.987 -7.312 1.00 0.00 N ATOM 248 NH2 ARG A 16 -2.186 9.946 -5.275 1.00 0.00 N ATOM 0 H ARG A 16 -3.374 5.764 -2.713 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.491 4.321 -4.219 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.647 6.291 -5.222 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.207 6.911 -4.438 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.948 5.046 -6.798 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.316 6.740 -7.053 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.874 5.583 -5.655 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.909 6.444 -7.182 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.876 7.607 -4.513 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.785 8.155 -7.891 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.802 9.914 -7.718 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.930 9.852 -4.292 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.318 10.872 -5.681 1.00 0.00 H new ATOM 262 N VAL A 17 -3.928 2.785 -5.388 1.00 0.00 N ATOM 263 CA VAL A 17 -3.023 1.770 -5.907 1.00 0.00 C ATOM 264 C VAL A 17 -2.071 2.362 -6.936 1.00 0.00 C ATOM 265 O VAL A 17 -2.494 2.946 -7.933 1.00 0.00 O ATOM 266 CB VAL A 17 -3.794 0.593 -6.544 1.00 0.00 C ATOM 267 CG1 VAL A 17 -2.842 -0.528 -6.939 1.00 0.00 C ATOM 268 CG2 VAL A 17 -4.869 0.076 -5.601 1.00 0.00 C ATOM 0 H VAL A 17 -4.911 2.635 -5.617 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.450 1.395 -5.059 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.282 0.960 -7.447 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.408 -1.346 -7.385 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.117 -0.152 -7.661 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.319 -0.890 -6.054 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.398 -0.752 -6.072 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.407 -0.268 -4.676 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.574 0.877 -5.379 1.00 0.00 H new ATOM 278 N ARG A 18 -0.786 2.195 -6.682 1.00 0.00 N ATOM 279 CA ARG A 18 0.247 2.684 -7.575 1.00 0.00 C ATOM 280 C ARG A 18 0.717 1.533 -8.444 1.00 0.00 C ATOM 281 O ARG A 18 1.045 1.708 -9.617 1.00 0.00 O ATOM 282 CB ARG A 18 1.410 3.283 -6.767 1.00 0.00 C ATOM 283 CG ARG A 18 2.442 4.042 -7.596 1.00 0.00 C ATOM 284 CD ARG A 18 3.449 3.109 -8.252 1.00 0.00 C ATOM 285 NE ARG A 18 4.443 3.835 -9.041 1.00 0.00 N ATOM 286 CZ ARG A 18 5.386 3.244 -9.777 1.00 0.00 C ATOM 287 NH1 ARG A 18 5.449 1.916 -9.834 1.00 0.00 N ATOM 288 NH2 ARG A 18 6.259 3.979 -10.458 1.00 0.00 N ATOM 0 H ARG A 18 -0.430 1.718 -5.853 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.149 3.475 -8.211 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.001 3.958 -6.015 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.915 2.478 -6.233 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.932 4.623 -8.365 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.968 4.751 -6.957 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.954 2.524 -7.483 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.923 2.403 -8.895 1.00 0.00 H new ATOM 0 HE ARG A 18 4.414 4.854 -9.028 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.777 1.351 -9.315 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.170 1.463 -10.396 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.209 4.997 -10.419 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.979 3.525 -11.020 1.00 0.00 H new ATOM 302 N GLY A 19 0.742 0.351 -7.851 1.00 0.00 N ATOM 303 CA GLY A 19 1.164 -0.829 -8.576 1.00 0.00 C ATOM 304 C GLY A 19 1.279 -2.042 -7.682 1.00 0.00 C ATOM 305 O GLY A 19 0.682 -2.092 -6.609 1.00 0.00 O ATOM 0 H GLY A 19 0.478 0.187 -6.880 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.452 -1.036 -9.375 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.127 -0.637 -9.049 1.00 0.00 H new ATOM 309 N THR A 20 2.051 -3.013 -8.126 1.00 0.00 N ATOM 310 CA THR A 20 2.260 -4.238 -7.374 1.00 0.00 C ATOM 311 C THR A 20 3.652 -4.266 -6.754 1.00 0.00 C ATOM 312 O THR A 20 4.616 -3.798 -7.358 1.00 0.00 O ATOM 313 CB THR A 20 2.077 -5.469 -8.280 1.00 0.00 C ATOM 314 OG1 THR A 20 2.729 -5.244 -9.538 1.00 0.00 O ATOM 315 CG2 THR A 20 0.601 -5.760 -8.510 1.00 0.00 C ATOM 0 H THR A 20 2.550 -2.978 -9.015 1.00 0.00 H new ATOM 0 HA THR A 20 1.518 -4.267 -6.576 1.00 0.00 H new ATOM 0 HB THR A 20 2.524 -6.331 -7.785 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.612 -6.030 -10.112 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.498 -6.634 -9.153 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.115 -5.954 -7.554 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.131 -4.901 -8.988 1.00 0.00 H new ATOM 323 N CYS A 21 3.751 -4.818 -5.555 1.00 0.00 N ATOM 324 CA CYS A 21 5.026 -4.916 -4.860 1.00 0.00 C ATOM 325 C CYS A 21 5.624 -6.296 -5.048 1.00 0.00 C ATOM 326 O CYS A 21 6.833 -6.457 -5.203 1.00 0.00 O ATOM 327 CB CYS A 21 4.843 -4.617 -3.373 1.00 0.00 C ATOM 328 SG CYS A 21 4.590 -2.853 -3.009 1.00 0.00 S ATOM 0 H CYS A 21 2.961 -5.207 -5.041 1.00 0.00 H new ATOM 0 HA CYS A 21 5.710 -4.180 -5.283 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.989 -5.182 -3.000 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.720 -4.969 -2.830 1.00 0.00 H new ATOM 333 N GLY A 22 4.759 -7.288 -5.035 1.00 0.00 N ATOM 334 CA GLY A 22 5.187 -8.653 -5.206 1.00 0.00 C ATOM 335 C GLY A 22 4.057 -9.611 -4.943 1.00 0.00 C ATOM 336 O GLY A 22 2.885 -9.229 -5.029 1.00 0.00 O ATOM 0 H GLY A 22 3.754 -7.170 -4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.561 -8.796 -6.220 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.014 -8.866 -4.528 1.00 0.00 H new ATOM 340 N ILE A 23 4.396 -10.844 -4.608 1.00 0.00 N ATOM 341 CA ILE A 23 3.393 -11.855 -4.322 1.00 0.00 C ATOM 342 C ILE A 23 2.549 -11.444 -3.122 1.00 0.00 C ATOM 343 O ILE A 23 3.034 -11.426 -1.994 1.00 0.00 O ATOM 344 CB ILE A 23 4.039 -13.232 -4.050 1.00 0.00 C ATOM 345 CG1 ILE A 23 4.910 -13.662 -5.237 1.00 0.00 C ATOM 346 CG2 ILE A 23 2.970 -14.282 -3.764 1.00 0.00 C ATOM 347 CD1 ILE A 23 4.152 -13.784 -6.544 1.00 0.00 C ATOM 0 H ILE A 23 5.359 -11.169 -4.527 1.00 0.00 H new ATOM 0 HA ILE A 23 2.756 -11.941 -5.202 1.00 0.00 H new ATOM 0 HB ILE A 23 4.675 -13.143 -3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.717 -12.940 -5.363 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.373 -14.621 -5.006 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.446 -15.244 -3.575 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.393 -13.985 -2.888 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.306 -14.369 -4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.837 -14.092 -7.334 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.362 -14.528 -6.438 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.711 -12.821 -6.800 1.00 0.00 H new ATOM 359 N ARG A 24 1.284 -11.117 -3.395 1.00 0.00 N ATOM 360 CA ARG A 24 0.321 -10.705 -2.371 1.00 0.00 C ATOM 361 C ARG A 24 0.590 -9.305 -1.816 1.00 0.00 C ATOM 362 O ARG A 24 0.021 -8.941 -0.785 1.00 0.00 O ATOM 363 CB ARG A 24 0.286 -11.715 -1.214 1.00 0.00 C ATOM 364 CG ARG A 24 -0.509 -12.973 -1.520 1.00 0.00 C ATOM 365 CD ARG A 24 -1.980 -12.661 -1.759 1.00 0.00 C ATOM 366 NE ARG A 24 -2.763 -13.858 -2.081 1.00 0.00 N ATOM 367 CZ ARG A 24 -3.024 -14.850 -1.221 1.00 0.00 C ATOM 368 NH1 ARG A 24 -2.595 -14.781 0.037 1.00 0.00 N ATOM 369 NH2 ARG A 24 -3.725 -15.906 -1.620 1.00 0.00 N ATOM 0 H ARG A 24 0.897 -11.131 -4.338 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.648 -10.677 -2.869 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.308 -11.996 -0.958 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.141 -11.232 -0.335 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.092 -13.462 -2.400 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.415 -13.674 -0.691 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.396 -12.187 -0.870 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.068 -11.943 -2.574 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.135 -13.941 -3.027 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.064 -13.969 0.351 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.797 -15.540 0.687 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.064 -15.960 -2.581 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.925 -16.663 -0.966 1.00 0.00 H new ATOM 383 N PHE A 25 1.421 -8.501 -2.481 1.00 0.00 N ATOM 384 CA PHE A 25 1.682 -7.158 -1.991 1.00 0.00 C ATOM 385 C PHE A 25 1.449 -6.132 -3.076 1.00 0.00 C ATOM 386 O PHE A 25 1.918 -6.281 -4.205 1.00 0.00 O ATOM 387 CB PHE A 25 3.106 -7.019 -1.446 1.00 0.00 C ATOM 388 CG PHE A 25 3.337 -7.743 -0.148 1.00 0.00 C ATOM 389 CD1 PHE A 25 3.315 -9.126 -0.096 1.00 0.00 C ATOM 390 CD2 PHE A 25 3.568 -7.036 1.019 1.00 0.00 C ATOM 391 CE1 PHE A 25 3.515 -9.792 1.094 1.00 0.00 C ATOM 392 CE2 PHE A 25 3.765 -7.697 2.216 1.00 0.00 C ATOM 393 CZ PHE A 25 3.738 -9.079 2.251 1.00 0.00 C ATOM 0 H PHE A 25 1.912 -8.753 -3.339 1.00 0.00 H new ATOM 0 HA PHE A 25 0.984 -6.977 -1.173 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.807 -7.396 -2.190 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.329 -5.961 -1.305 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.139 -9.691 -1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.595 -5.957 0.994 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.497 -10.872 1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.940 -7.136 3.122 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.892 -9.599 3.185 1.00 0.00 H new ATOM 403 N LEU A 26 0.727 -5.093 -2.715 1.00 0.00 N ATOM 404 CA LEU A 26 0.417 -4.005 -3.626 1.00 0.00 C ATOM 405 C LEU A 26 1.047 -2.723 -3.112 1.00 0.00 C ATOM 406 O LEU A 26 1.098 -2.487 -1.907 1.00 0.00 O ATOM 407 CB LEU A 26 -1.097 -3.808 -3.779 1.00 0.00 C ATOM 408 CG LEU A 26 -1.864 -4.951 -4.460 1.00 0.00 C ATOM 409 CD1 LEU A 26 -2.059 -6.128 -3.513 1.00 0.00 C ATOM 410 CD2 LEU A 26 -3.208 -4.452 -4.969 1.00 0.00 C ATOM 0 H LEU A 26 0.336 -4.976 -1.780 1.00 0.00 H new ATOM 0 HA LEU A 26 0.822 -4.258 -4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.524 -3.651 -2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.268 -2.894 -4.348 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.271 -5.298 -5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.605 -6.920 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.087 -6.504 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.625 -5.803 -2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.742 -5.272 -5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.797 -4.076 -4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.049 -3.650 -5.690 1.00 0.00 H new ATOM 422 N TYR A 27 1.522 -1.907 -4.026 1.00 0.00 N ATOM 423 CA TYR A 27 2.146 -0.645 -3.679 1.00 0.00 C ATOM 424 C TYR A 27 1.105 0.452 -3.775 1.00 0.00 C ATOM 425 O TYR A 27 0.598 0.743 -4.863 1.00 0.00 O ATOM 426 CB TYR A 27 3.303 -0.361 -4.641 1.00 0.00 C ATOM 427 CG TYR A 27 4.361 0.581 -4.111 1.00 0.00 C ATOM 428 CD1 TYR A 27 4.778 0.521 -2.787 1.00 0.00 C ATOM 429 CD2 TYR A 27 4.967 1.511 -4.945 1.00 0.00 C ATOM 430 CE1 TYR A 27 5.767 1.361 -2.310 1.00 0.00 C ATOM 431 CE2 TYR A 27 5.952 2.357 -4.475 1.00 0.00 C ATOM 432 CZ TYR A 27 6.350 2.277 -3.158 1.00 0.00 C ATOM 433 OH TYR A 27 7.333 3.116 -2.686 1.00 0.00 O ATOM 0 H TYR A 27 1.488 -2.096 -5.028 1.00 0.00 H new ATOM 0 HA TYR A 27 2.540 -0.688 -2.664 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.778 -1.306 -4.902 1.00 0.00 H new ATOM 0 HB3 TYR A 27 2.895 0.056 -5.562 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.322 -0.194 -2.119 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.663 1.574 -5.979 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.081 1.299 -1.278 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.409 3.078 -5.137 1.00 0.00 H new ATOM 0 HH TYR A 27 7.640 3.700 -3.410 1.00 0.00 H new ATOM 443 N CYS A 28 0.771 1.032 -2.644 1.00 0.00 N ATOM 444 CA CYS A 28 -0.240 2.079 -2.603 1.00 0.00 C ATOM 445 C CYS A 28 0.333 3.405 -2.139 1.00 0.00 C ATOM 446 O CYS A 28 1.217 3.454 -1.283 1.00 0.00 O ATOM 447 CB CYS A 28 -1.395 1.677 -1.690 1.00 0.00 C ATOM 448 SG CYS A 28 -1.943 -0.041 -1.920 1.00 0.00 S ATOM 0 H CYS A 28 1.181 0.801 -1.739 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.607 2.205 -3.622 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.092 1.817 -0.652 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.238 2.345 -1.869 1.00 0.00 H new ATOM 453 N CYS A 29 -0.192 4.478 -2.704 1.00 0.00 N ATOM 454 CA CYS A 29 0.232 5.825 -2.355 1.00 0.00 C ATOM 455 C CYS A 29 -1.002 6.675 -2.068 1.00 0.00 C ATOM 456 O CYS A 29 -1.941 6.678 -2.866 1.00 0.00 O ATOM 457 CB CYS A 29 1.022 6.461 -3.505 1.00 0.00 C ATOM 458 SG CYS A 29 2.259 5.370 -4.275 1.00 0.00 S ATOM 0 H CYS A 29 -0.922 4.442 -3.416 1.00 0.00 H new ATOM 0 HA CYS A 29 0.874 5.775 -1.475 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.320 6.789 -4.272 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.526 7.352 -3.132 1.00 0.00 H new ATOM 463 N PRO A 30 -1.027 7.390 -0.930 1.00 0.00 N ATOM 464 CA PRO A 30 -2.158 8.243 -0.532 1.00 0.00 C ATOM 465 C PRO A 30 -2.690 9.124 -1.665 1.00 0.00 C ATOM 466 O PRO A 30 -1.959 9.484 -2.593 1.00 0.00 O ATOM 467 CB PRO A 30 -1.569 9.103 0.579 1.00 0.00 C ATOM 468 CG PRO A 30 -0.522 8.244 1.196 1.00 0.00 C ATOM 469 CD PRO A 30 0.050 7.413 0.079 1.00 0.00 C ATOM 0 HA PRO A 30 -3.019 7.646 -0.232 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.144 10.026 0.184 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.329 9.388 1.307 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.252 8.851 1.666 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.947 7.610 1.974 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.963 7.854 -0.321 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.303 6.408 0.417 1.00 0.00 H new ATOM 477 N ARG A 31 -3.976 9.444 -1.582 1.00 0.00 N ATOM 478 CA ARG A 31 -4.652 10.265 -2.586 1.00 0.00 C ATOM 479 C ARG A 31 -3.979 11.620 -2.783 1.00 0.00 C ATOM 480 O ARG A 31 -3.959 12.145 -3.898 1.00 0.00 O ATOM 481 CB ARG A 31 -6.120 10.476 -2.205 1.00 0.00 C ATOM 482 CG ARG A 31 -7.019 9.300 -2.552 1.00 0.00 C ATOM 483 CD ARG A 31 -7.045 9.047 -4.055 1.00 0.00 C ATOM 484 NE ARG A 31 -7.459 10.233 -4.815 1.00 0.00 N ATOM 485 CZ ARG A 31 -8.705 10.722 -4.837 1.00 0.00 C ATOM 486 NH1 ARG A 31 -9.685 10.101 -4.187 1.00 0.00 N ATOM 487 NH2 ARG A 31 -8.969 11.830 -5.525 1.00 0.00 N ATOM 0 H ARG A 31 -4.581 9.143 -0.818 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.587 9.722 -3.529 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.184 10.666 -1.134 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.492 11.367 -2.710 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.667 8.406 -2.037 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.031 9.496 -2.196 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.054 8.735 -4.385 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.727 8.224 -4.271 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.749 10.717 -5.364 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.490 9.246 -3.667 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.632 10.480 -4.209 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.223 12.304 -6.034 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.917 12.205 -5.544 1.00 0.00 H new ATOM 501 N ARG A 32 -3.437 12.176 -1.710 1.00 0.00 N ATOM 502 CA ARG A 32 -2.768 13.465 -1.770 1.00 0.00 C ATOM 503 C ARG A 32 -1.773 13.591 -0.629 1.00 0.00 C ATOM 504 O ARG A 32 -1.322 14.723 -0.342 1.00 0.00 O ATOM 505 CB ARG A 32 -3.785 14.606 -1.694 1.00 0.00 C ATOM 506 CG ARG A 32 -4.619 14.596 -0.421 1.00 0.00 C ATOM 507 CD ARG A 32 -5.269 15.946 -0.175 1.00 0.00 C ATOM 508 NE ARG A 32 -4.271 17.000 0.013 1.00 0.00 N ATOM 509 CZ ARG A 32 -4.567 18.278 0.248 1.00 0.00 C ATOM 510 NH1 ARG A 32 -5.838 18.665 0.326 1.00 0.00 N ATOM 511 NH2 ARG A 32 -3.592 19.167 0.406 1.00 0.00 N ATOM 512 OXT ARG A 32 -1.440 12.555 -0.020 1.00 0.00 O ATOM 0 H ARG A 32 -3.448 11.751 -0.783 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.238 13.531 -2.720 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.257 15.557 -1.765 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.451 14.546 -2.555 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.389 13.828 -0.494 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.987 14.334 0.428 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.912 16.200 -1.018 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.907 15.888 0.707 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.286 16.740 -0.039 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.587 17.983 0.206 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.063 19.643 0.506 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.618 18.871 0.347 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.818 20.145 0.586 1.00 0.00 H new TER 526 ARG A 32