USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 261 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 6 HIS : no HD1:sc= -5.23! C(o=-5.2!,f=-3.4!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -1.82! C(o=-1.8!,f=-4.9!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.0493) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -49:sc= 0.35 USER MOD Single : A 27 ASN : amide:sc= -0.376 K(o=-0.38,f=-4.6!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.961 12.805 -8.414 1.00 0.00 N ATOM 2 CA GLY A 1 -3.328 11.582 -7.843 1.00 0.00 C ATOM 3 C GLY A 1 -4.329 10.865 -6.936 1.00 0.00 C ATOM 4 O GLY A 1 -4.926 9.876 -7.316 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.280 13.293 -9.031 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.799 12.536 -8.968 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.246 13.441 -7.642 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.007 10.917 -8.645 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.436 11.852 -7.277 1.00 0.00 H new ATOM 10 N ASP A 2 -4.517 11.352 -5.741 1.00 0.00 N ATOM 11 CA ASP A 2 -5.481 10.694 -4.812 1.00 0.00 C ATOM 12 C ASP A 2 -4.987 9.289 -4.453 1.00 0.00 C ATOM 13 O ASP A 2 -5.644 8.303 -4.719 1.00 0.00 O ATOM 14 CB ASP A 2 -6.793 10.620 -5.593 1.00 0.00 C ATOM 15 CG ASP A 2 -7.901 11.309 -4.794 1.00 0.00 C ATOM 16 OD1 ASP A 2 -8.391 10.704 -3.854 1.00 0.00 O ATOM 17 OD2 ASP A 2 -8.241 12.430 -5.135 1.00 0.00 O ATOM 0 H ASP A 2 -4.046 12.176 -5.367 1.00 0.00 H new ATOM 0 HA ASP A 2 -5.596 11.240 -3.876 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -6.678 11.100 -6.565 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.059 9.580 -5.781 1.00 0.00 H new ATOM 22 N CYS A 3 -3.836 9.192 -3.848 1.00 0.00 N ATOM 23 CA CYS A 3 -3.303 7.852 -3.471 1.00 0.00 C ATOM 24 C CYS A 3 -2.742 7.888 -2.047 1.00 0.00 C ATOM 25 O CYS A 3 -2.407 8.934 -1.527 1.00 0.00 O ATOM 26 CB CYS A 3 -2.186 7.566 -4.474 1.00 0.00 C ATOM 27 SG CYS A 3 -0.897 8.829 -4.320 1.00 0.00 S ATOM 0 H CYS A 3 -3.241 9.982 -3.598 1.00 0.00 H new ATOM 0 HA CYS A 3 -4.076 7.084 -3.493 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.765 6.577 -4.293 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.586 7.561 -5.488 1.00 0.00 H new ATOM 32 N LEU A 4 -2.639 6.752 -1.415 1.00 0.00 N ATOM 33 CA LEU A 4 -2.103 6.717 -0.025 1.00 0.00 C ATOM 34 C LEU A 4 -0.596 6.442 -0.031 1.00 0.00 C ATOM 35 O LEU A 4 -0.051 5.967 -1.000 1.00 0.00 O ATOM 36 CB LEU A 4 -2.850 5.567 0.651 1.00 0.00 C ATOM 37 CG LEU A 4 -4.355 5.808 0.550 1.00 0.00 C ATOM 38 CD1 LEU A 4 -5.021 4.590 -0.085 1.00 0.00 C ATOM 39 CD2 LEU A 4 -4.931 6.026 1.949 1.00 0.00 C ATOM 0 H LEU A 4 -2.903 5.846 -1.801 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.245 7.666 0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.590 4.621 0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.552 5.491 1.697 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.542 6.690 -0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.095 4.760 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.610 4.429 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.834 3.710 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.005 6.198 1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.745 5.143 2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.455 6.892 2.408 1.00 0.00 H new ATOM 51 N PRO A 5 0.017 6.747 1.070 1.00 0.00 N ATOM 52 CA PRO A 5 1.485 6.534 1.237 1.00 0.00 C ATOM 53 C PRO A 5 1.809 5.038 1.259 1.00 0.00 C ATOM 54 O PRO A 5 0.948 4.221 1.510 1.00 0.00 O ATOM 55 CB PRO A 5 1.764 7.146 2.606 1.00 0.00 C ATOM 56 CG PRO A 5 0.450 7.062 3.309 1.00 0.00 C ATOM 57 CD PRO A 5 -0.590 7.319 2.268 1.00 0.00 C ATOM 0 HA PRO A 5 2.077 6.970 0.432 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.539 6.596 3.140 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.107 8.177 2.521 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.313 6.081 3.764 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.389 7.797 4.112 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -1.537 6.838 2.513 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.794 8.383 2.151 1.00 0.00 H new ATOM 65 N HIS A 6 3.038 4.668 1.006 1.00 0.00 N ATOM 66 CA HIS A 6 3.397 3.232 1.021 1.00 0.00 C ATOM 67 C HIS A 6 3.739 2.771 2.444 1.00 0.00 C ATOM 68 O HIS A 6 4.572 1.920 2.660 1.00 0.00 O ATOM 69 CB HIS A 6 4.590 3.100 0.061 1.00 0.00 C ATOM 70 CG HIS A 6 5.893 3.289 0.797 1.00 0.00 C ATOM 71 ND1 HIS A 6 6.521 4.518 0.887 1.00 0.00 N ATOM 72 CD2 HIS A 6 6.697 2.407 1.473 1.00 0.00 C ATOM 73 CE1 HIS A 6 7.653 4.340 1.593 1.00 0.00 C ATOM 74 NE2 HIS A 6 7.808 3.072 1.974 1.00 0.00 N ATOM 0 H HIS A 6 3.805 5.305 0.790 1.00 0.00 H new ATOM 0 HA HIS A 6 2.572 2.595 0.702 1.00 0.00 H new ATOM 0 HB2 HIS A 6 4.574 2.119 -0.413 1.00 0.00 H new ATOM 0 HB3 HIS A 6 4.506 3.840 -0.735 1.00 0.00 H new ATOM 0 HD2 HIS A 6 6.496 1.353 1.597 1.00 0.00 H new ATOM 0 HE1 HIS A 6 8.352 5.130 1.823 1.00 0.00 H new ATOM 0 HE2 HIS A 6 8.576 2.676 2.516 1.00 0.00 H new ATOM 82 N LEU A 7 3.075 3.315 3.412 1.00 0.00 N ATOM 83 CA LEU A 7 3.328 2.921 4.811 1.00 0.00 C ATOM 84 C LEU A 7 2.086 3.196 5.663 1.00 0.00 C ATOM 85 O LEU A 7 2.161 3.791 6.720 1.00 0.00 O ATOM 86 CB LEU A 7 4.506 3.785 5.264 1.00 0.00 C ATOM 87 CG LEU A 7 5.600 2.898 5.862 1.00 0.00 C ATOM 88 CD1 LEU A 7 5.055 2.167 7.090 1.00 0.00 C ATOM 89 CD2 LEU A 7 6.056 1.873 4.822 1.00 0.00 C ATOM 0 H LEU A 7 2.356 4.028 3.290 1.00 0.00 H new ATOM 0 HA LEU A 7 3.551 1.859 4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.903 4.347 4.419 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.172 4.514 6.003 1.00 0.00 H new ATOM 0 HG LEU A 7 6.446 3.520 6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.836 1.536 7.514 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.733 2.896 7.834 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.207 1.548 6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.835 1.242 5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.209 1.253 4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.449 2.392 3.948 1.00 0.00 H new ATOM 101 N LYS A 8 0.943 2.767 5.204 1.00 0.00 N ATOM 102 CA LYS A 8 -0.311 2.997 5.974 1.00 0.00 C ATOM 103 C LYS A 8 -1.372 1.976 5.555 1.00 0.00 C ATOM 104 O LYS A 8 -1.482 1.627 4.396 1.00 0.00 O ATOM 105 CB LYS A 8 -0.747 4.412 5.592 1.00 0.00 C ATOM 106 CG LYS A 8 -1.962 4.821 6.427 1.00 0.00 C ATOM 107 CD LYS A 8 -2.053 6.348 6.475 1.00 0.00 C ATOM 108 CE LYS A 8 -1.278 6.869 7.688 1.00 0.00 C ATOM 109 NZ LYS A 8 -2.285 7.610 8.498 1.00 0.00 N ATOM 0 H LYS A 8 0.823 2.265 4.324 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.170 2.889 7.050 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.072 5.112 5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.993 4.453 4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.872 4.405 5.994 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.876 4.419 7.436 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.646 6.776 5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.096 6.659 6.536 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.839 6.050 8.257 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.459 7.521 7.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.829 7.998 9.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.681 8.388 7.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.049 6.963 8.779 1.00 0.00 H new ATOM 123 N ARG A 9 -2.153 1.496 6.484 1.00 0.00 N ATOM 124 CA ARG A 9 -3.205 0.499 6.132 1.00 0.00 C ATOM 125 C ARG A 9 -3.897 0.914 4.832 1.00 0.00 C ATOM 126 O ARG A 9 -4.321 2.042 4.677 1.00 0.00 O ATOM 127 CB ARG A 9 -4.188 0.525 7.310 1.00 0.00 C ATOM 128 CG ARG A 9 -5.570 0.047 6.850 1.00 0.00 C ATOM 129 CD ARG A 9 -6.194 -0.840 7.929 1.00 0.00 C ATOM 130 NE ARG A 9 -5.599 -2.187 7.710 1.00 0.00 N ATOM 131 CZ ARG A 9 -5.451 -3.006 8.715 1.00 0.00 C ATOM 132 NH1 ARG A 9 -4.468 -2.836 9.556 1.00 0.00 N ATOM 133 NH2 ARG A 9 -6.287 -3.994 8.878 1.00 0.00 N ATOM 0 H ARG A 9 -2.109 1.750 7.471 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.800 -0.500 5.971 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.822 -0.114 8.114 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.259 1.535 7.713 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.214 0.904 6.652 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.481 -0.508 5.916 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.968 -0.466 8.927 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.280 -0.868 7.838 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.307 -2.470 6.774 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.815 -2.063 9.428 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.352 -3.476 10.342 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.055 -4.126 8.220 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.172 -4.635 9.663 1.00 0.00 H new ATOM 147 N CYS A 10 -4.021 0.013 3.897 1.00 0.00 N ATOM 148 CA CYS A 10 -4.692 0.374 2.616 1.00 0.00 C ATOM 149 C CYS A 10 -6.044 -0.340 2.515 1.00 0.00 C ATOM 150 O CYS A 10 -6.200 -1.451 2.974 1.00 0.00 O ATOM 151 CB CYS A 10 -3.720 -0.067 1.506 1.00 0.00 C ATOM 152 SG CYS A 10 -4.036 -1.781 0.994 1.00 0.00 S ATOM 0 H CYS A 10 -3.690 -0.950 3.963 1.00 0.00 H new ATOM 0 HA CYS A 10 -4.905 1.440 2.538 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.821 0.596 0.647 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.694 0.025 1.861 1.00 0.00 H new ATOM 157 N LYS A 11 -7.017 0.290 1.920 1.00 0.00 N ATOM 158 CA LYS A 11 -8.352 -0.358 1.792 1.00 0.00 C ATOM 159 C LYS A 11 -8.399 -1.206 0.521 1.00 0.00 C ATOM 160 O LYS A 11 -9.216 -2.095 0.384 1.00 0.00 O ATOM 161 CB LYS A 11 -9.350 0.796 1.703 1.00 0.00 C ATOM 162 CG LYS A 11 -10.692 0.269 1.191 1.00 0.00 C ATOM 163 CD LYS A 11 -11.127 -0.931 2.035 1.00 0.00 C ATOM 164 CE LYS A 11 -12.517 -0.670 2.614 1.00 0.00 C ATOM 165 NZ LYS A 11 -13.445 -1.443 1.742 1.00 0.00 N ATOM 0 H LYS A 11 -6.946 1.224 1.517 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.573 -1.020 2.629 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.478 1.257 2.682 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.971 1.568 1.034 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.446 1.055 1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.605 -0.022 0.144 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.140 -1.833 1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.412 -1.101 2.840 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.582 -1.000 3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.757 0.393 2.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.422 -1.315 2.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.366 -1.102 0.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.196 -2.452 1.779 1.00 0.00 H new ATOM 179 N ALA A 12 -7.528 -0.937 -0.413 1.00 0.00 N ATOM 180 CA ALA A 12 -7.526 -1.728 -1.676 1.00 0.00 C ATOM 181 C ALA A 12 -6.143 -1.678 -2.331 1.00 0.00 C ATOM 182 O ALA A 12 -5.406 -0.725 -2.178 1.00 0.00 O ATOM 183 CB ALA A 12 -8.566 -1.053 -2.568 1.00 0.00 C ATOM 0 H ALA A 12 -6.819 -0.206 -0.356 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.757 -2.779 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.624 -1.579 -3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.539 -1.081 -2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.278 -0.016 -2.743 1.00 0.00 H new ATOM 189 N ASP A 13 -5.790 -2.696 -3.061 1.00 0.00 N ATOM 190 CA ASP A 13 -4.462 -2.710 -3.729 1.00 0.00 C ATOM 191 C ASP A 13 -4.263 -1.413 -4.527 1.00 0.00 C ATOM 192 O ASP A 13 -3.186 -0.853 -4.560 1.00 0.00 O ATOM 193 CB ASP A 13 -4.500 -3.928 -4.661 1.00 0.00 C ATOM 194 CG ASP A 13 -5.009 -5.151 -3.894 1.00 0.00 C ATOM 195 OD1 ASP A 13 -4.986 -5.113 -2.675 1.00 0.00 O ATOM 196 OD2 ASP A 13 -5.414 -6.104 -4.540 1.00 0.00 O ATOM 0 H ASP A 13 -6.366 -3.522 -3.224 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.637 -2.773 -3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.149 -3.726 -5.513 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.504 -4.125 -5.058 1.00 0.00 H new ATOM 201 N ASN A 14 -5.295 -0.935 -5.172 1.00 0.00 N ATOM 202 CA ASN A 14 -5.166 0.324 -5.967 1.00 0.00 C ATOM 203 C ASN A 14 -5.507 1.551 -5.110 1.00 0.00 C ATOM 204 O ASN A 14 -6.344 2.354 -5.471 1.00 0.00 O ATOM 205 CB ASN A 14 -6.176 0.174 -7.107 1.00 0.00 C ATOM 206 CG ASN A 14 -6.246 1.478 -7.905 1.00 0.00 C ATOM 207 OD1 ASN A 14 -5.410 2.344 -7.749 1.00 0.00 O ATOM 208 ND2 ASN A 14 -7.216 1.654 -8.761 1.00 0.00 N ATOM 0 H ASN A 14 -6.222 -1.361 -5.183 1.00 0.00 H new ATOM 0 HA ASN A 14 -4.149 0.472 -6.330 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.883 -0.648 -7.760 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.159 -0.072 -6.706 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.271 2.519 -9.299 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.919 0.926 -8.892 1.00 0.00 H new ATOM 215 N ASP A 15 -4.868 1.706 -3.981 1.00 0.00 N ATOM 216 CA ASP A 15 -5.165 2.887 -3.113 1.00 0.00 C ATOM 217 C ASP A 15 -3.876 3.602 -2.688 1.00 0.00 C ATOM 218 O ASP A 15 -3.878 4.773 -2.367 1.00 0.00 O ATOM 219 CB ASP A 15 -5.889 2.316 -1.905 1.00 0.00 C ATOM 220 CG ASP A 15 -7.261 2.977 -1.773 1.00 0.00 C ATOM 221 OD1 ASP A 15 -8.070 2.802 -2.669 1.00 0.00 O ATOM 222 OD2 ASP A 15 -7.480 3.648 -0.777 1.00 0.00 O ATOM 0 H ASP A 15 -4.156 1.070 -3.622 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.764 3.632 -3.637 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.002 1.237 -2.012 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.303 2.487 -1.002 1.00 0.00 H new ATOM 227 N CYS A 16 -2.777 2.904 -2.689 1.00 0.00 N ATOM 228 CA CYS A 16 -1.478 3.524 -2.288 1.00 0.00 C ATOM 229 C CYS A 16 -0.917 4.352 -3.446 1.00 0.00 C ATOM 230 O CYS A 16 -1.382 4.268 -4.566 1.00 0.00 O ATOM 231 CB CYS A 16 -0.561 2.329 -2.030 1.00 0.00 C ATOM 232 SG CYS A 16 -1.423 1.107 -1.008 1.00 0.00 S ATOM 0 H CYS A 16 -2.719 1.920 -2.953 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.576 4.184 -1.426 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.260 1.879 -2.976 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.350 2.658 -1.530 1.00 0.00 H new ATOM 237 N CYS A 17 0.090 5.133 -3.187 1.00 0.00 N ATOM 238 CA CYS A 17 0.702 5.951 -4.266 1.00 0.00 C ATOM 239 C CYS A 17 1.673 5.085 -5.064 1.00 0.00 C ATOM 240 O CYS A 17 2.168 5.482 -6.099 1.00 0.00 O ATOM 241 CB CYS A 17 1.444 7.074 -3.543 1.00 0.00 C ATOM 242 SG CYS A 17 0.243 8.192 -2.778 1.00 0.00 S ATOM 0 H CYS A 17 0.519 5.241 -2.268 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.033 6.347 -4.966 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.105 6.658 -2.783 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.071 7.622 -4.246 1.00 0.00 H new ATOM 247 N GLY A 18 1.941 3.893 -4.596 1.00 0.00 N ATOM 248 CA GLY A 18 2.864 3.001 -5.342 1.00 0.00 C ATOM 249 C GLY A 18 2.036 1.968 -6.101 1.00 0.00 C ATOM 250 O GLY A 18 2.541 1.241 -6.933 1.00 0.00 O ATOM 0 H GLY A 18 1.560 3.504 -3.733 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.473 3.581 -6.035 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.549 2.505 -4.654 1.00 0.00 H new ATOM 254 N LYS A 19 0.763 1.890 -5.810 1.00 0.00 N ATOM 255 CA LYS A 19 -0.100 0.895 -6.508 1.00 0.00 C ATOM 256 C LYS A 19 0.293 -0.510 -6.066 1.00 0.00 C ATOM 257 O LYS A 19 -0.069 -1.496 -6.678 1.00 0.00 O ATOM 258 CB LYS A 19 0.181 1.090 -7.999 1.00 0.00 C ATOM 259 CG LYS A 19 -1.142 1.270 -8.747 1.00 0.00 C ATOM 260 CD LYS A 19 -0.874 1.900 -10.115 1.00 0.00 C ATOM 261 CE LYS A 19 -0.462 0.812 -11.109 1.00 0.00 C ATOM 262 NZ LYS A 19 -1.549 0.793 -12.128 1.00 0.00 N ATOM 0 H LYS A 19 0.286 2.471 -5.121 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.158 1.026 -6.283 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.818 1.962 -8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.721 0.229 -8.394 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.637 0.306 -8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.815 1.903 -8.169 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.767 2.413 -10.472 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.087 2.649 -10.034 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.502 1.037 -11.564 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.364 -0.156 -10.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.339 0.071 -12.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.454 0.570 -11.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.614 1.726 -12.584 1.00 0.00 H new ATOM 276 N LYS A 20 1.035 -0.604 -4.999 1.00 0.00 N ATOM 277 CA LYS A 20 1.463 -1.932 -4.498 1.00 0.00 C ATOM 278 C LYS A 20 1.230 -2.010 -2.992 1.00 0.00 C ATOM 279 O LYS A 20 2.135 -1.824 -2.196 1.00 0.00 O ATOM 280 CB LYS A 20 2.956 -2.015 -4.820 1.00 0.00 C ATOM 281 CG LYS A 20 3.158 -2.818 -6.106 1.00 0.00 C ATOM 282 CD LYS A 20 4.539 -3.478 -6.082 1.00 0.00 C ATOM 283 CE LYS A 20 5.050 -3.652 -7.515 1.00 0.00 C ATOM 284 NZ LYS A 20 4.245 -4.771 -8.078 1.00 0.00 N ATOM 0 H LYS A 20 1.364 0.190 -4.451 1.00 0.00 H new ATOM 0 HA LYS A 20 0.908 -2.752 -4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.370 -1.013 -4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.491 -2.488 -3.996 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.382 -3.577 -6.199 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.070 -2.164 -6.974 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.236 -2.866 -5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.482 -4.447 -5.585 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.917 -2.739 -8.095 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.115 -3.886 -7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.881 -5.487 -8.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.674 -5.202 -7.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.616 -4.406 -8.822 1.00 0.00 H new ATOM 298 N CYS A 21 0.025 -2.282 -2.586 1.00 0.00 N ATOM 299 CA CYS A 21 -0.245 -2.375 -1.131 1.00 0.00 C ATOM 300 C CYS A 21 0.212 -3.742 -0.626 1.00 0.00 C ATOM 301 O CYS A 21 0.061 -4.740 -1.303 1.00 0.00 O ATOM 302 CB CYS A 21 -1.762 -2.253 -0.971 1.00 0.00 C ATOM 303 SG CYS A 21 -2.194 -2.577 0.760 1.00 0.00 S ATOM 0 H CYS A 21 -0.778 -2.443 -3.194 1.00 0.00 H new ATOM 0 HA CYS A 21 0.279 -1.601 -0.570 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.093 -1.256 -1.263 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.269 -2.962 -1.626 1.00 0.00 H new ATOM 308 N LYS A 22 0.747 -3.814 0.556 1.00 0.00 N ATOM 309 CA LYS A 22 1.174 -5.138 1.075 1.00 0.00 C ATOM 310 C LYS A 22 -0.058 -5.885 1.580 1.00 0.00 C ATOM 311 O LYS A 22 -1.088 -5.281 1.809 1.00 0.00 O ATOM 312 CB LYS A 22 2.146 -4.841 2.214 1.00 0.00 C ATOM 313 CG LYS A 22 3.527 -5.390 1.850 1.00 0.00 C ATOM 314 CD LYS A 22 4.049 -6.264 2.992 1.00 0.00 C ATOM 315 CE LYS A 22 5.397 -6.871 2.596 1.00 0.00 C ATOM 316 NZ LYS A 22 5.105 -8.303 2.306 1.00 0.00 N ATOM 0 H LYS A 22 0.906 -3.023 1.180 1.00 0.00 H new ATOM 0 HA LYS A 22 1.651 -5.760 0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.203 -3.767 2.389 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.792 -5.297 3.139 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.467 -5.973 0.931 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.218 -4.568 1.662 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.159 -5.669 3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.333 -7.055 3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.815 -6.369 1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.126 -6.772 3.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.982 -8.787 2.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.715 -8.757 3.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.414 -8.366 1.532 1.00 0.00 H new ATOM 330 N ARG A 23 0.045 -7.184 1.736 1.00 0.00 N ATOM 331 CA ARG A 23 -1.108 -8.019 2.204 1.00 0.00 C ATOM 332 C ARG A 23 -0.594 -9.239 2.975 1.00 0.00 C ATOM 333 O ARG A 23 0.594 -9.467 3.080 1.00 0.00 O ATOM 334 CB ARG A 23 -1.792 -8.488 0.923 1.00 0.00 C ATOM 335 CG ARG A 23 -2.657 -7.366 0.354 1.00 0.00 C ATOM 336 CD ARG A 23 -2.732 -7.490 -1.166 1.00 0.00 C ATOM 337 NE ARG A 23 -2.221 -6.187 -1.664 1.00 0.00 N ATOM 338 CZ ARG A 23 -1.624 -6.119 -2.822 1.00 0.00 C ATOM 339 NH1 ARG A 23 -0.800 -7.064 -3.184 1.00 0.00 N ATOM 340 NH2 ARG A 23 -1.851 -5.111 -3.618 1.00 0.00 N ATOM 0 H ARG A 23 0.899 -7.712 1.554 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.775 -7.464 2.863 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.043 -8.789 0.190 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.407 -9.364 1.129 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.658 -7.414 0.782 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.239 -6.397 0.629 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.126 -8.320 -1.528 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.753 -7.671 -1.501 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.337 -5.345 -1.100 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.624 -7.853 -2.562 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.332 -7.013 -4.089 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.497 -4.373 -3.336 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.383 -5.060 -4.523 1.00 0.00 H new ATOM 354 N ARG A 24 -1.486 -10.036 3.495 1.00 0.00 N ATOM 355 CA ARG A 24 -1.065 -11.257 4.240 1.00 0.00 C ATOM 356 C ARG A 24 -2.183 -12.299 4.179 1.00 0.00 C ATOM 357 O ARG A 24 -2.642 -12.803 5.185 1.00 0.00 O ATOM 358 CB ARG A 24 -0.822 -10.799 5.677 1.00 0.00 C ATOM 359 CG ARG A 24 0.629 -11.097 6.060 1.00 0.00 C ATOM 360 CD ARG A 24 0.768 -11.097 7.584 1.00 0.00 C ATOM 361 NE ARG A 24 1.295 -12.449 7.921 1.00 0.00 N ATOM 362 CZ ARG A 24 1.433 -12.804 9.169 1.00 0.00 C ATOM 363 NH1 ARG A 24 0.437 -12.665 10.001 1.00 0.00 N ATOM 364 NH2 ARG A 24 2.567 -13.297 9.586 1.00 0.00 N ATOM 0 H ARG A 24 -2.494 -9.894 3.436 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.170 -11.715 3.820 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.024 -9.732 5.771 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.503 -11.313 6.355 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.931 -12.064 5.657 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.292 -10.349 5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.448 -10.313 7.919 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.191 -10.915 8.068 1.00 0.00 H new ATOM 0 HE ARG A 24 1.548 -13.098 7.176 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.449 -12.279 9.676 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.545 -12.943 10.977 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.346 -13.405 8.936 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.675 -13.574 10.562 1.00 0.00 H new ATOM 378 N GLY A 25 -2.628 -12.609 2.994 1.00 0.00 N ATOM 379 CA GLY A 25 -3.724 -13.603 2.826 1.00 0.00 C ATOM 380 C GLY A 25 -4.379 -13.364 1.467 1.00 0.00 C ATOM 381 O GLY A 25 -5.036 -12.363 1.259 1.00 0.00 O ATOM 0 H GLY A 25 -2.274 -12.211 2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.330 -14.617 2.885 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.458 -13.499 3.625 1.00 0.00 H new ATOM 385 N THR A 26 -4.183 -14.261 0.537 1.00 0.00 N ATOM 386 CA THR A 26 -4.770 -14.081 -0.825 1.00 0.00 C ATOM 387 C THR A 26 -4.672 -12.616 -1.245 1.00 0.00 C ATOM 388 O THR A 26 -5.556 -12.077 -1.877 1.00 0.00 O ATOM 389 CB THR A 26 -6.229 -14.528 -0.712 1.00 0.00 C ATOM 390 OG1 THR A 26 -6.802 -14.585 -2.013 1.00 0.00 O ATOM 391 CG2 THR A 26 -7.009 -13.538 0.156 1.00 0.00 C ATOM 0 H THR A 26 -3.639 -15.115 0.662 1.00 0.00 H new ATOM 0 HA THR A 26 -4.242 -14.662 -1.581 1.00 0.00 H new ATOM 0 HB THR A 26 -6.274 -15.514 -0.250 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.610 -13.752 -2.492 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.047 -13.861 0.233 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.566 -13.499 1.151 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.970 -12.547 -0.297 1.00 0.00 H new ATOM 399 N ASN A 27 -3.582 -11.992 -0.888 1.00 0.00 N ATOM 400 CA ASN A 27 -3.342 -10.553 -1.232 1.00 0.00 C ATOM 401 C ASN A 27 -4.649 -9.780 -1.404 1.00 0.00 C ATOM 402 O ASN A 27 -5.286 -9.846 -2.436 1.00 0.00 O ATOM 403 CB ASN A 27 -2.582 -10.580 -2.553 1.00 0.00 C ATOM 404 CG ASN A 27 -1.078 -10.616 -2.280 1.00 0.00 C ATOM 405 OD1 ASN A 27 -0.339 -9.790 -2.779 1.00 0.00 O ATOM 406 ND2 ASN A 27 -0.588 -11.544 -1.504 1.00 0.00 N ATOM 0 H ASN A 27 -2.827 -12.428 -0.359 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.793 -10.051 -0.435 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.877 -11.453 -3.136 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.833 -9.701 -3.146 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.414 -11.576 -1.317 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.207 -12.238 -1.085 1.00 0.00 H new ATOM 413 N ALA A 28 -5.056 -9.034 -0.413 1.00 0.00 N ATOM 414 CA ALA A 28 -6.319 -8.264 -0.562 1.00 0.00 C ATOM 415 C ALA A 28 -6.232 -6.900 0.123 1.00 0.00 C ATOM 416 O ALA A 28 -6.722 -5.918 -0.398 1.00 0.00 O ATOM 417 CB ALA A 28 -7.394 -9.130 0.092 1.00 0.00 C ATOM 0 H ALA A 28 -4.575 -8.926 0.480 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.537 -8.057 -1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.359 -8.627 0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.448 -10.091 -0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.144 -9.290 1.141 1.00 0.00 H new ATOM 423 N GLU A 29 -5.626 -6.810 1.276 1.00 0.00 N ATOM 424 CA GLU A 29 -5.559 -5.467 1.938 1.00 0.00 C ATOM 425 C GLU A 29 -4.805 -5.475 3.282 1.00 0.00 C ATOM 426 O GLU A 29 -5.386 -5.728 4.318 1.00 0.00 O ATOM 427 CB GLU A 29 -7.028 -5.100 2.175 1.00 0.00 C ATOM 428 CG GLU A 29 -7.122 -3.831 3.026 1.00 0.00 C ATOM 429 CD GLU A 29 -8.102 -4.058 4.178 1.00 0.00 C ATOM 430 OE1 GLU A 29 -9.118 -4.693 3.951 1.00 0.00 O ATOM 431 OE2 GLU A 29 -7.818 -3.592 5.270 1.00 0.00 O ATOM 0 H GLU A 29 -5.185 -7.580 1.779 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.011 -4.761 1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.531 -4.945 1.220 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.540 -5.922 2.676 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.139 -3.570 3.418 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.454 -2.993 2.413 1.00 0.00 H new ATOM 438 N LYS A 30 -3.538 -5.119 3.286 1.00 0.00 N ATOM 439 CA LYS A 30 -2.795 -5.026 4.584 1.00 0.00 C ATOM 440 C LYS A 30 -2.345 -3.581 4.800 1.00 0.00 C ATOM 441 O LYS A 30 -3.036 -2.779 5.401 1.00 0.00 O ATOM 442 CB LYS A 30 -1.573 -5.924 4.506 1.00 0.00 C ATOM 443 CG LYS A 30 -1.853 -7.271 5.181 1.00 0.00 C ATOM 444 CD LYS A 30 -3.252 -7.781 4.823 1.00 0.00 C ATOM 445 CE LYS A 30 -3.523 -9.084 5.580 1.00 0.00 C ATOM 446 NZ LYS A 30 -4.821 -8.865 6.278 1.00 0.00 N ATOM 0 H LYS A 30 -2.993 -4.891 2.454 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.436 -5.336 5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.297 -6.083 3.464 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.726 -5.438 4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.105 -8.000 4.870 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.766 -7.166 6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.002 -7.033 5.082 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.327 -7.949 3.749 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.581 -9.932 4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.725 -9.300 6.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.073 -9.717 6.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.734 -8.057 6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.563 -8.668 5.577 1.00 0.00 H new ATOM 460 N ARG A 31 -1.193 -3.237 4.293 1.00 0.00 N ATOM 461 CA ARG A 31 -0.695 -1.839 4.459 1.00 0.00 C ATOM 462 C ARG A 31 0.055 -1.390 3.205 1.00 0.00 C ATOM 463 O ARG A 31 0.839 -2.127 2.642 1.00 0.00 O ATOM 464 CB ARG A 31 0.254 -1.893 5.660 1.00 0.00 C ATOM 465 CG ARG A 31 0.021 -0.672 6.555 1.00 0.00 C ATOM 466 CD ARG A 31 0.658 -0.913 7.925 1.00 0.00 C ATOM 467 NE ARG A 31 -0.322 -1.761 8.658 1.00 0.00 N ATOM 468 CZ ARG A 31 0.059 -2.436 9.706 1.00 0.00 C ATOM 469 NH1 ARG A 31 1.135 -2.082 10.354 1.00 0.00 N ATOM 470 NH2 ARG A 31 -0.635 -3.467 10.108 1.00 0.00 N ATOM 0 H ARG A 31 -0.576 -3.860 3.772 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.508 -1.130 4.613 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.087 -2.809 6.227 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.289 -1.914 5.318 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.451 0.217 6.094 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.048 -0.488 6.666 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.621 -1.414 7.830 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.837 0.026 8.448 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.290 -1.814 8.341 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.678 -1.277 10.040 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.433 -2.610 11.174 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.476 -3.745 9.602 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.336 -3.995 10.928 1.00 0.00 H new ATOM 484 N CYS A 32 -0.176 -0.185 2.767 1.00 0.00 N ATOM 485 CA CYS A 32 0.527 0.314 1.550 1.00 0.00 C ATOM 486 C CYS A 32 2.042 0.154 1.714 1.00 0.00 C ATOM 487 O CYS A 32 2.599 0.501 2.736 1.00 0.00 O ATOM 488 CB CYS A 32 0.154 1.789 1.457 1.00 0.00 C ATOM 489 SG CYS A 32 -1.527 1.952 0.820 1.00 0.00 S ATOM 0 H CYS A 32 -0.821 0.477 3.198 1.00 0.00 H new ATOM 0 HA CYS A 32 0.243 -0.236 0.653 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.228 2.255 2.439 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.853 2.310 0.803 1.00 0.00 H new ATOM 494 N ARG A 33 2.716 -0.368 0.719 1.00 0.00 N ATOM 495 CA ARG A 33 4.197 -0.546 0.835 1.00 0.00 C ATOM 496 C ARG A 33 4.823 -0.657 -0.558 1.00 0.00 C ATOM 497 O ARG A 33 4.264 -0.093 -1.484 1.00 0.00 O ATOM 498 CB ARG A 33 4.382 -1.855 1.608 1.00 0.00 C ATOM 499 CG ARG A 33 3.894 -1.681 3.050 1.00 0.00 C ATOM 500 CD ARG A 33 4.301 -2.898 3.884 1.00 0.00 C ATOM 501 NE ARG A 33 3.087 -3.254 4.676 1.00 0.00 N ATOM 502 CZ ARG A 33 3.118 -3.182 5.978 1.00 0.00 C ATOM 503 NH1 ARG A 33 3.776 -2.218 6.560 1.00 0.00 N ATOM 504 NH2 ARG A 33 2.494 -4.074 6.697 1.00 0.00 N ATOM 505 OXT ARG A 33 5.851 -1.303 -0.674 1.00 0.00 O ATOM 0 H ARG A 33 2.308 -0.677 -0.163 1.00 0.00 H new ATOM 0 HA ARG A 33 4.676 0.295 1.337 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.827 -2.657 1.121 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.433 -2.146 1.603 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.319 -0.774 3.481 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.810 -1.564 3.066 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.612 -3.726 3.247 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.142 -2.665 4.537 1.00 0.00 H new ATOM 0 HE ARG A 33 2.236 -3.553 4.200 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.265 -1.522 5.997 1.00 0.00 H new ATOM 0 HH12 ARG A 33 3.801 -2.160 7.578 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.981 -4.829 6.241 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.519 -4.017 7.715 1.00 0.00 H new TER 519 ARG A 33