USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=5 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= -7.26! C(o=-7.3!,f=-15!) USER MOD Single : A 8 LYS NZ :NH3+ -131:sc=-0.00524 (180deg=-0.256) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.389 X(o=-0.39,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -133:sc= -0.177 (180deg=-1.55!) USER MOD Single : A 26 THR OG1 : rot -66:sc= 1.01 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.739 F(o=-1.8!,f=-0.74) USER MOD Single : A 30 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.116) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.560 12.647 -8.972 1.00 0.00 N ATOM 2 CA GLY A 1 -3.235 11.290 -8.451 1.00 0.00 C ATOM 3 C GLY A 1 -4.029 11.031 -7.172 1.00 0.00 C ATOM 4 O GLY A 1 -4.940 10.228 -7.147 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.019 12.823 -9.843 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.578 12.705 -9.179 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.310 13.362 -8.259 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.474 10.535 -9.199 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.166 11.212 -8.250 1.00 0.00 H new ATOM 10 N ASP A 2 -3.694 11.706 -6.106 1.00 0.00 N ATOM 11 CA ASP A 2 -4.432 11.500 -4.829 1.00 0.00 C ATOM 12 C ASP A 2 -4.392 10.024 -4.424 1.00 0.00 C ATOM 13 O ASP A 2 -5.299 9.266 -4.707 1.00 0.00 O ATOM 14 CB ASP A 2 -5.868 11.936 -5.124 1.00 0.00 C ATOM 15 CG ASP A 2 -6.653 12.028 -3.813 1.00 0.00 C ATOM 16 OD1 ASP A 2 -6.204 12.732 -2.924 1.00 0.00 O ATOM 17 OD2 ASP A 2 -7.692 11.393 -3.722 1.00 0.00 O ATOM 0 H ASP A 2 -2.940 12.392 -6.065 1.00 0.00 H new ATOM 0 HA ASP A 2 -3.995 12.066 -4.006 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -5.870 12.902 -5.630 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.345 11.223 -5.797 1.00 0.00 H new ATOM 22 N CYS A 3 -3.346 9.612 -3.761 1.00 0.00 N ATOM 23 CA CYS A 3 -3.242 8.187 -3.333 1.00 0.00 C ATOM 24 C CYS A 3 -2.803 8.107 -1.871 1.00 0.00 C ATOM 25 O CYS A 3 -2.616 9.112 -1.213 1.00 0.00 O ATOM 26 CB CYS A 3 -2.182 7.563 -4.239 1.00 0.00 C ATOM 27 SG CYS A 3 -0.754 8.671 -4.366 1.00 0.00 S ATOM 0 H CYS A 3 -2.557 10.202 -3.496 1.00 0.00 H new ATOM 0 HA CYS A 3 -4.197 7.668 -3.413 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.871 6.598 -3.839 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.600 7.378 -5.229 1.00 0.00 H new ATOM 32 N LEU A 4 -2.633 6.919 -1.357 1.00 0.00 N ATOM 33 CA LEU A 4 -2.201 6.778 0.061 1.00 0.00 C ATOM 34 C LEU A 4 -0.677 6.619 0.129 1.00 0.00 C ATOM 35 O LEU A 4 -0.037 6.319 -0.857 1.00 0.00 O ATOM 36 CB LEU A 4 -2.912 5.524 0.572 1.00 0.00 C ATOM 37 CG LEU A 4 -4.425 5.712 0.442 1.00 0.00 C ATOM 38 CD1 LEU A 4 -5.088 4.360 0.194 1.00 0.00 C ATOM 39 CD2 LEU A 4 -4.978 6.314 1.732 1.00 0.00 C ATOM 0 H LEU A 4 -2.775 6.042 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.452 7.650 0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.592 4.652 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.645 5.339 1.612 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.634 6.381 -0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.166 4.495 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.696 3.926 -0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.876 3.692 1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.056 6.448 1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.766 5.645 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.507 7.280 1.914 1.00 0.00 H new ATOM 51 N PRO A 5 -0.151 6.842 1.300 1.00 0.00 N ATOM 52 CA PRO A 5 1.321 6.751 1.527 1.00 0.00 C ATOM 53 C PRO A 5 1.836 5.327 1.301 1.00 0.00 C ATOM 54 O PRO A 5 1.075 4.385 1.197 1.00 0.00 O ATOM 55 CB PRO A 5 1.469 7.154 2.992 1.00 0.00 C ATOM 56 CG PRO A 5 0.138 6.839 3.583 1.00 0.00 C ATOM 57 CD PRO A 5 -0.864 7.188 2.528 1.00 0.00 C ATOM 0 HA PRO A 5 1.894 7.378 0.844 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.267 6.596 3.482 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.712 8.212 3.093 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.070 5.786 3.855 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.033 7.415 4.492 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -1.786 6.618 2.638 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.136 8.243 2.558 1.00 0.00 H new ATOM 65 N HIS A 6 3.131 5.170 1.212 1.00 0.00 N ATOM 66 CA HIS A 6 3.715 3.833 0.979 1.00 0.00 C ATOM 67 C HIS A 6 4.014 3.120 2.303 1.00 0.00 C ATOM 68 O HIS A 6 4.957 2.364 2.417 1.00 0.00 O ATOM 69 CB HIS A 6 4.996 4.105 0.186 1.00 0.00 C ATOM 70 CG HIS A 6 5.821 2.850 0.087 1.00 0.00 C ATOM 71 ND1 HIS A 6 7.199 2.862 0.224 1.00 0.00 N ATOM 72 CD2 HIS A 6 5.477 1.539 -0.128 1.00 0.00 C ATOM 73 CE1 HIS A 6 7.632 1.596 0.090 1.00 0.00 C ATOM 74 NE2 HIS A 6 6.622 0.750 -0.127 1.00 0.00 N ATOM 0 H HIS A 6 3.810 5.926 1.293 1.00 0.00 H new ATOM 0 HA HIS A 6 3.035 3.173 0.441 1.00 0.00 H new ATOM 0 HB2 HIS A 6 4.745 4.464 -0.812 1.00 0.00 H new ATOM 0 HB3 HIS A 6 5.573 4.891 0.672 1.00 0.00 H new ATOM 0 HD2 HIS A 6 4.471 1.176 -0.275 1.00 0.00 H new ATOM 0 HE1 HIS A 6 8.669 1.300 0.150 1.00 0.00 H new ATOM 0 HE2 HIS A 6 6.678 -0.259 -0.263 1.00 0.00 H new ATOM 82 N LEU A 7 3.206 3.340 3.294 1.00 0.00 N ATOM 83 CA LEU A 7 3.422 2.674 4.594 1.00 0.00 C ATOM 84 C LEU A 7 2.156 2.718 5.457 1.00 0.00 C ATOM 85 O LEU A 7 2.211 2.537 6.657 1.00 0.00 O ATOM 86 CB LEU A 7 4.556 3.447 5.266 1.00 0.00 C ATOM 87 CG LEU A 7 5.883 2.711 5.071 1.00 0.00 C ATOM 88 CD1 LEU A 7 6.948 3.349 5.960 1.00 0.00 C ATOM 89 CD2 LEU A 7 5.715 1.238 5.454 1.00 0.00 C ATOM 0 H LEU A 7 2.397 3.960 3.256 1.00 0.00 H new ATOM 0 HA LEU A 7 3.668 1.620 4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.622 4.450 4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.348 3.561 6.330 1.00 0.00 H new ATOM 0 HG LEU A 7 6.187 2.780 4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.895 2.827 5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.069 4.398 5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.641 3.278 7.004 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.661 0.716 5.314 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.411 1.166 6.498 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.952 0.782 4.822 1.00 0.00 H new ATOM 101 N LYS A 8 1.018 2.959 4.868 1.00 0.00 N ATOM 102 CA LYS A 8 -0.234 3.011 5.674 1.00 0.00 C ATOM 103 C LYS A 8 -1.213 1.946 5.186 1.00 0.00 C ATOM 104 O LYS A 8 -1.137 1.487 4.064 1.00 0.00 O ATOM 105 CB LYS A 8 -0.801 4.410 5.440 1.00 0.00 C ATOM 106 CG LYS A 8 -1.916 4.694 6.449 1.00 0.00 C ATOM 107 CD LYS A 8 -2.148 6.203 6.535 1.00 0.00 C ATOM 108 CE LYS A 8 -2.952 6.529 7.795 1.00 0.00 C ATOM 109 NZ LYS A 8 -1.958 6.504 8.904 1.00 0.00 N ATOM 0 H LYS A 8 0.900 3.122 3.868 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.054 2.820 6.732 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.010 5.154 5.539 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.188 4.490 4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.834 4.190 6.146 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.645 4.300 7.428 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.193 6.727 6.556 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.683 6.550 5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.431 7.505 7.716 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.744 5.798 7.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.323 5.922 9.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.064 6.099 8.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.792 7.473 9.243 1.00 0.00 H new ATOM 123 N ARG A 9 -2.130 1.546 6.019 1.00 0.00 N ATOM 124 CA ARG A 9 -3.105 0.506 5.597 1.00 0.00 C ATOM 125 C ARG A 9 -3.814 0.941 4.312 1.00 0.00 C ATOM 126 O ARG A 9 -3.714 2.076 3.892 1.00 0.00 O ATOM 127 CB ARG A 9 -4.095 0.396 6.756 1.00 0.00 C ATOM 128 CG ARG A 9 -4.280 -1.076 7.133 1.00 0.00 C ATOM 129 CD ARG A 9 -5.596 -1.590 6.550 1.00 0.00 C ATOM 130 NE ARG A 9 -5.296 -2.973 6.087 1.00 0.00 N ATOM 131 CZ ARG A 9 -5.934 -3.984 6.607 1.00 0.00 C ATOM 132 NH1 ARG A 9 -5.995 -4.122 7.903 1.00 0.00 N ATOM 133 NH2 ARG A 9 -6.511 -4.860 5.831 1.00 0.00 N ATOM 0 H ARG A 9 -2.246 1.893 6.971 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.627 -0.450 5.384 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.729 0.959 7.615 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.053 0.833 6.473 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.446 -1.667 6.754 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.282 -1.187 8.217 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.388 -1.587 7.299 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.935 -0.962 5.726 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.593 -3.129 5.365 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.543 -3.438 8.510 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.494 -4.913 8.309 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.463 -4.754 4.818 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.010 -5.651 6.238 1.00 0.00 H new ATOM 147 N CYS A 10 -4.525 0.045 3.680 1.00 0.00 N ATOM 148 CA CYS A 10 -5.230 0.417 2.415 1.00 0.00 C ATOM 149 C CYS A 10 -6.555 -0.339 2.309 1.00 0.00 C ATOM 150 O CYS A 10 -6.696 -1.438 2.807 1.00 0.00 O ATOM 151 CB CYS A 10 -4.314 0.001 1.245 1.00 0.00 C ATOM 152 SG CYS A 10 -2.608 -0.295 1.796 1.00 0.00 S ATOM 0 H CYS A 10 -4.649 -0.922 3.981 1.00 0.00 H new ATOM 0 HA CYS A 10 -5.440 1.486 2.395 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.707 -0.902 0.779 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.320 0.781 0.484 1.00 0.00 H new ATOM 157 N LYS A 11 -7.520 0.233 1.645 1.00 0.00 N ATOM 158 CA LYS A 11 -8.827 -0.462 1.487 1.00 0.00 C ATOM 159 C LYS A 11 -8.747 -1.424 0.298 1.00 0.00 C ATOM 160 O LYS A 11 -9.428 -2.428 0.248 1.00 0.00 O ATOM 161 CB LYS A 11 -9.841 0.649 1.217 1.00 0.00 C ATOM 162 CG LYS A 11 -10.790 0.771 2.411 1.00 0.00 C ATOM 163 CD LYS A 11 -12.154 1.268 1.930 1.00 0.00 C ATOM 164 CE LYS A 11 -12.182 2.797 1.971 1.00 0.00 C ATOM 165 NZ LYS A 11 -12.957 3.134 3.198 1.00 0.00 N ATOM 0 H LYS A 11 -7.460 1.151 1.205 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.103 -1.048 2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.325 1.595 1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.405 0.429 0.311 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.896 -0.195 2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.378 1.461 3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.344 0.917 0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.944 0.862 2.561 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.174 3.209 2.015 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.656 3.207 1.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.020 4.167 3.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.914 2.734 3.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.478 2.736 4.031 1.00 0.00 H new ATOM 179 N ALA A 12 -7.907 -1.120 -0.656 1.00 0.00 N ATOM 180 CA ALA A 12 -7.764 -2.011 -1.842 1.00 0.00 C ATOM 181 C ALA A 12 -6.342 -1.915 -2.399 1.00 0.00 C ATOM 182 O ALA A 12 -5.680 -0.907 -2.269 1.00 0.00 O ATOM 183 CB ALA A 12 -8.779 -1.490 -2.860 1.00 0.00 C ATOM 0 H ALA A 12 -7.313 -0.291 -0.664 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.941 -3.058 -1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.733 -2.098 -3.764 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.781 -1.546 -2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.547 -0.454 -3.107 1.00 0.00 H new ATOM 189 N ASP A 13 -5.866 -2.959 -3.011 1.00 0.00 N ATOM 190 CA ASP A 13 -4.487 -2.928 -3.566 1.00 0.00 C ATOM 191 C ASP A 13 -4.233 -1.613 -4.312 1.00 0.00 C ATOM 192 O ASP A 13 -3.144 -1.078 -4.290 1.00 0.00 O ATOM 193 CB ASP A 13 -4.425 -4.113 -4.530 1.00 0.00 C ATOM 194 CG ASP A 13 -4.833 -5.392 -3.795 1.00 0.00 C ATOM 195 OD1 ASP A 13 -5.884 -5.385 -3.175 1.00 0.00 O ATOM 196 OD2 ASP A 13 -4.087 -6.356 -3.863 1.00 0.00 O ATOM 0 H ASP A 13 -6.372 -3.833 -3.151 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.730 -2.993 -2.785 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.088 -3.941 -5.378 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.417 -4.217 -4.930 1.00 0.00 H new ATOM 201 N ASN A 14 -5.228 -1.094 -4.981 1.00 0.00 N ATOM 202 CA ASN A 14 -5.035 0.181 -5.736 1.00 0.00 C ATOM 203 C ASN A 14 -5.375 1.401 -4.867 1.00 0.00 C ATOM 204 O ASN A 14 -6.178 2.232 -5.242 1.00 0.00 O ATOM 205 CB ASN A 14 -5.995 0.083 -6.922 1.00 0.00 C ATOM 206 CG ASN A 14 -5.206 -0.243 -8.192 1.00 0.00 C ATOM 207 OD1 ASN A 14 -5.224 -1.365 -8.660 1.00 0.00 O ATOM 208 ND2 ASN A 14 -4.509 0.695 -8.772 1.00 0.00 N ATOM 0 H ASN A 14 -6.164 -1.495 -5.038 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.999 0.311 -6.049 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.741 -0.689 -6.736 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.533 1.023 -7.047 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.979 0.487 -9.618 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.494 1.636 -8.379 1.00 0.00 H new ATOM 215 N ASP A 15 -4.767 1.522 -3.718 1.00 0.00 N ATOM 216 CA ASP A 15 -5.056 2.699 -2.841 1.00 0.00 C ATOM 217 C ASP A 15 -3.760 3.398 -2.413 1.00 0.00 C ATOM 218 O ASP A 15 -3.766 4.542 -2.004 1.00 0.00 O ATOM 219 CB ASP A 15 -5.781 2.129 -1.635 1.00 0.00 C ATOM 220 CG ASP A 15 -7.146 2.804 -1.488 1.00 0.00 C ATOM 221 OD1 ASP A 15 -7.351 3.825 -2.123 1.00 0.00 O ATOM 222 OD2 ASP A 15 -7.962 2.288 -0.743 1.00 0.00 O ATOM 0 H ASP A 15 -4.085 0.861 -3.347 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.652 3.450 -3.359 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.907 1.052 -1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.188 2.286 -0.734 1.00 0.00 H new ATOM 227 N CYS A 16 -2.654 2.716 -2.503 1.00 0.00 N ATOM 228 CA CYS A 16 -1.351 3.323 -2.102 1.00 0.00 C ATOM 229 C CYS A 16 -0.801 4.207 -3.217 1.00 0.00 C ATOM 230 O CYS A 16 -1.224 4.127 -4.354 1.00 0.00 O ATOM 231 CB CYS A 16 -0.434 2.121 -1.905 1.00 0.00 C ATOM 232 SG CYS A 16 -1.112 1.074 -0.600 1.00 0.00 S ATOM 0 H CYS A 16 -2.594 1.755 -2.840 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.442 3.950 -1.215 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.348 1.557 -2.834 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.570 2.452 -1.639 1.00 0.00 H new ATOM 237 N CYS A 17 0.163 5.028 -2.910 1.00 0.00 N ATOM 238 CA CYS A 17 0.762 5.882 -3.965 1.00 0.00 C ATOM 239 C CYS A 17 1.737 5.037 -4.784 1.00 0.00 C ATOM 240 O CYS A 17 2.252 5.471 -5.795 1.00 0.00 O ATOM 241 CB CYS A 17 1.502 6.994 -3.225 1.00 0.00 C ATOM 242 SG CYS A 17 0.330 8.276 -2.708 1.00 0.00 S ATOM 0 H CYS A 17 0.559 5.143 -1.977 1.00 0.00 H new ATOM 0 HA CYS A 17 0.019 6.296 -4.647 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.015 6.585 -2.354 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.266 7.427 -3.871 1.00 0.00 H new ATOM 247 N GLY A 18 1.978 3.819 -4.364 1.00 0.00 N ATOM 248 CA GLY A 18 2.901 2.942 -5.131 1.00 0.00 C ATOM 249 C GLY A 18 2.070 1.933 -5.923 1.00 0.00 C ATOM 250 O GLY A 18 2.592 1.140 -6.681 1.00 0.00 O ATOM 0 H GLY A 18 1.575 3.400 -3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.516 3.538 -5.805 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.580 2.424 -4.454 1.00 0.00 H new ATOM 254 N LYS A 19 0.773 1.958 -5.752 1.00 0.00 N ATOM 255 CA LYS A 19 -0.094 1.002 -6.490 1.00 0.00 C ATOM 256 C LYS A 19 0.258 -0.426 -6.083 1.00 0.00 C ATOM 257 O LYS A 19 0.233 -1.338 -6.886 1.00 0.00 O ATOM 258 CB LYS A 19 0.222 1.246 -7.968 1.00 0.00 C ATOM 259 CG LYS A 19 -0.986 0.866 -8.827 1.00 0.00 C ATOM 260 CD LYS A 19 -0.692 1.197 -10.293 1.00 0.00 C ATOM 261 CE LYS A 19 -1.717 0.500 -11.189 1.00 0.00 C ATOM 262 NZ LYS A 19 -0.909 -0.345 -12.113 1.00 0.00 N ATOM 0 H LYS A 19 0.280 2.601 -5.132 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.155 1.141 -6.280 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.477 2.294 -8.126 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.090 0.658 -8.265 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.203 -0.197 -8.719 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.870 1.408 -8.491 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.731 2.275 -10.448 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.315 0.873 -10.555 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.407 -0.106 -10.602 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.317 1.224 -11.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.543 -0.856 -12.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.266 0.259 -12.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.353 -1.029 -11.561 1.00 0.00 H new ATOM 276 N LYS A 20 0.590 -0.624 -4.838 1.00 0.00 N ATOM 277 CA LYS A 20 0.949 -1.990 -4.376 1.00 0.00 C ATOM 278 C LYS A 20 0.825 -2.095 -2.854 1.00 0.00 C ATOM 279 O LYS A 20 1.808 -2.049 -2.134 1.00 0.00 O ATOM 280 CB LYS A 20 2.402 -2.182 -4.808 1.00 0.00 C ATOM 281 CG LYS A 20 2.459 -3.103 -6.029 1.00 0.00 C ATOM 282 CD LYS A 20 3.344 -2.468 -7.102 1.00 0.00 C ATOM 283 CE LYS A 20 4.293 -3.523 -7.676 1.00 0.00 C ATOM 284 NZ LYS A 20 5.662 -3.035 -7.345 1.00 0.00 N ATOM 0 H LYS A 20 0.628 0.102 -4.122 1.00 0.00 H new ATOM 0 HA LYS A 20 0.290 -2.750 -4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.851 -1.218 -5.046 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.981 -2.610 -3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.855 -4.078 -5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.455 -3.269 -6.421 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.726 -2.050 -7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.916 -1.644 -6.675 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.106 -4.502 -7.236 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.161 -3.627 -8.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.367 -3.708 -7.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.814 -2.104 -7.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.761 -2.952 -6.313 1.00 0.00 H new ATOM 298 N CYS A 21 -0.368 -2.257 -2.348 1.00 0.00 N ATOM 299 CA CYS A 21 -0.513 -2.392 -0.875 1.00 0.00 C ATOM 300 C CYS A 21 -0.146 -3.832 -0.497 1.00 0.00 C ATOM 301 O CYS A 21 -0.686 -4.774 -1.043 1.00 0.00 O ATOM 302 CB CYS A 21 -1.986 -2.118 -0.559 1.00 0.00 C ATOM 303 SG CYS A 21 -2.230 -2.199 1.237 1.00 0.00 S ATOM 0 H CYS A 21 -1.235 -2.301 -2.884 1.00 0.00 H new ATOM 0 HA CYS A 21 0.128 -1.705 -0.323 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.275 -1.136 -0.934 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.621 -2.850 -1.059 1.00 0.00 H new ATOM 308 N LYS A 22 0.779 -4.022 0.400 1.00 0.00 N ATOM 309 CA LYS A 22 1.179 -5.416 0.759 1.00 0.00 C ATOM 310 C LYS A 22 0.281 -5.995 1.856 1.00 0.00 C ATOM 311 O LYS A 22 0.161 -5.447 2.933 1.00 0.00 O ATOM 312 CB LYS A 22 2.618 -5.295 1.250 1.00 0.00 C ATOM 313 CG LYS A 22 3.451 -6.436 0.661 1.00 0.00 C ATOM 314 CD LYS A 22 4.537 -6.845 1.656 1.00 0.00 C ATOM 315 CE LYS A 22 4.225 -8.236 2.213 1.00 0.00 C ATOM 316 NZ LYS A 22 4.256 -8.074 3.692 1.00 0.00 N ATOM 0 H LYS A 22 1.274 -3.282 0.898 1.00 0.00 H new ATOM 0 HA LYS A 22 1.084 -6.092 -0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.036 -4.333 0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.647 -5.333 2.339 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.810 -7.289 0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.905 -6.121 -0.279 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.511 -6.848 1.166 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.591 -6.121 2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.250 -8.587 1.875 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.961 -8.968 1.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.818 -8.841 4.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.685 -7.158 3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.286 -8.110 4.066 1.00 0.00 H new ATOM 330 N ARG A 23 -0.345 -7.108 1.582 1.00 0.00 N ATOM 331 CA ARG A 23 -1.232 -7.740 2.594 1.00 0.00 C ATOM 332 C ARG A 23 -0.423 -8.656 3.517 1.00 0.00 C ATOM 333 O ARG A 23 0.790 -8.688 3.471 1.00 0.00 O ATOM 334 CB ARG A 23 -2.267 -8.539 1.781 1.00 0.00 C ATOM 335 CG ARG A 23 -1.734 -9.933 1.397 1.00 0.00 C ATOM 336 CD ARG A 23 -1.138 -9.893 -0.013 1.00 0.00 C ATOM 337 NE ARG A 23 -2.248 -9.428 -0.890 1.00 0.00 N ATOM 338 CZ ARG A 23 -2.148 -9.540 -2.188 1.00 0.00 C ATOM 339 NH1 ARG A 23 -1.148 -10.192 -2.715 1.00 0.00 N ATOM 340 NH2 ARG A 23 -3.052 -9.000 -2.959 1.00 0.00 N ATOM 0 H ARG A 23 -0.278 -7.607 0.695 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.713 -7.004 3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.183 -8.647 2.362 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.526 -7.986 0.878 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.976 -10.252 2.113 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.541 -10.665 1.440 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.286 -9.215 -0.062 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.780 -10.876 -0.318 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.087 -9.022 -0.477 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.442 -10.616 -2.113 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.073 -10.278 -3.729 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.835 -8.492 -2.548 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.976 -9.086 -3.972 1.00 0.00 H new ATOM 354 N ARG A 24 -1.092 -9.412 4.345 1.00 0.00 N ATOM 355 CA ARG A 24 -0.369 -10.339 5.259 1.00 0.00 C ATOM 356 C ARG A 24 -1.315 -11.432 5.753 1.00 0.00 C ATOM 357 O ARG A 24 -1.337 -11.772 6.921 1.00 0.00 O ATOM 358 CB ARG A 24 0.109 -9.469 6.419 1.00 0.00 C ATOM 359 CG ARG A 24 1.637 -9.434 6.432 1.00 0.00 C ATOM 360 CD ARG A 24 2.174 -10.831 6.752 1.00 0.00 C ATOM 361 NE ARG A 24 3.577 -10.613 7.198 1.00 0.00 N ATOM 362 CZ ARG A 24 4.530 -11.395 6.768 1.00 0.00 C ATOM 363 NH1 ARG A 24 4.591 -11.715 5.504 1.00 0.00 N ATOM 364 NH2 ARG A 24 5.420 -11.860 7.602 1.00 0.00 N ATOM 0 H ARG A 24 -2.109 -9.427 4.427 1.00 0.00 H new ATOM 0 HA ARG A 24 0.464 -10.840 4.765 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.288 -8.459 6.318 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.265 -9.865 7.363 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.012 -9.101 5.465 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.989 -8.718 7.175 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.583 -11.312 7.531 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.135 -11.479 5.876 1.00 0.00 H new ATOM 0 HE ARG A 24 3.794 -9.851 7.841 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.894 -11.354 4.852 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.335 -12.326 5.168 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.371 -11.612 8.590 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.164 -12.471 7.265 1.00 0.00 H new ATOM 378 N GLY A 25 -2.093 -11.987 4.869 1.00 0.00 N ATOM 379 CA GLY A 25 -3.039 -13.064 5.277 1.00 0.00 C ATOM 380 C GLY A 25 -3.439 -13.886 4.051 1.00 0.00 C ATOM 381 O GLY A 25 -2.767 -14.826 3.674 1.00 0.00 O ATOM 0 H GLY A 25 -2.116 -11.742 3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.573 -13.708 6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.924 -12.628 5.740 1.00 0.00 H new ATOM 385 N THR A 26 -4.528 -13.536 3.426 1.00 0.00 N ATOM 386 CA THR A 26 -4.976 -14.291 2.223 1.00 0.00 C ATOM 387 C THR A 26 -5.106 -13.340 1.032 1.00 0.00 C ATOM 388 O THR A 26 -6.194 -12.995 0.618 1.00 0.00 O ATOM 389 CB THR A 26 -6.343 -14.871 2.599 1.00 0.00 C ATOM 390 OG1 THR A 26 -7.032 -15.259 1.419 1.00 0.00 O ATOM 391 CG2 THR A 26 -7.163 -13.818 3.349 1.00 0.00 C ATOM 0 H THR A 26 -5.129 -12.758 3.697 1.00 0.00 H new ATOM 0 HA THR A 26 -4.271 -15.072 1.937 1.00 0.00 H new ATOM 0 HB THR A 26 -6.202 -15.740 3.241 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.240 -14.464 0.885 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.135 -14.235 3.615 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.635 -13.523 4.256 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.305 -12.945 2.712 1.00 0.00 H new ATOM 399 N ASN A 27 -4.001 -12.910 0.482 1.00 0.00 N ATOM 400 CA ASN A 27 -4.056 -11.976 -0.678 1.00 0.00 C ATOM 401 C ASN A 27 -4.707 -10.661 -0.270 1.00 0.00 C ATOM 402 O ASN A 27 -4.725 -10.298 0.888 1.00 0.00 O ATOM 403 CB ASN A 27 -4.920 -12.680 -1.721 1.00 0.00 C ATOM 404 CG ASN A 27 -4.486 -14.141 -1.850 1.00 0.00 C ATOM 405 OD1 ASN A 27 -3.268 -14.478 -1.526 1.00 0.00 O flip ATOM 406 ND2 ASN A 27 -5.263 -14.983 -2.251 1.00 0.00 N flip ATOM 0 H ASN A 27 -3.062 -13.166 0.787 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.061 -11.742 -1.056 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.970 -12.627 -1.433 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.827 -12.177 -2.683 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.215 -14.719 -2.504 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.964 -15.955 -2.335 1.00 0.00 H new ATOM 413 N ALA A 28 -5.241 -9.955 -1.225 1.00 0.00 N ATOM 414 CA ALA A 28 -5.910 -8.650 -0.935 1.00 0.00 C ATOM 415 C ALA A 28 -4.868 -7.558 -0.660 1.00 0.00 C ATOM 416 O ALA A 28 -4.071 -7.230 -1.515 1.00 0.00 O ATOM 417 CB ALA A 28 -6.799 -8.911 0.289 1.00 0.00 C ATOM 0 H ALA A 28 -5.244 -10.227 -2.208 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.500 -8.293 -1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.323 -7.994 0.560 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.526 -9.688 0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.180 -9.236 1.125 1.00 0.00 H new ATOM 423 N GLU A 29 -4.867 -6.979 0.511 1.00 0.00 N ATOM 424 CA GLU A 29 -3.877 -5.903 0.802 1.00 0.00 C ATOM 425 C GLU A 29 -3.978 -5.460 2.264 1.00 0.00 C ATOM 426 O GLU A 29 -5.050 -5.402 2.833 1.00 0.00 O ATOM 427 CB GLU A 29 -4.255 -4.751 -0.138 1.00 0.00 C ATOM 428 CG GLU A 29 -5.779 -4.571 -0.173 1.00 0.00 C ATOM 429 CD GLU A 29 -6.250 -3.912 1.125 1.00 0.00 C ATOM 430 OE1 GLU A 29 -5.456 -3.213 1.732 1.00 0.00 O ATOM 431 OE2 GLU A 29 -7.395 -4.121 1.489 1.00 0.00 O ATOM 0 H GLU A 29 -5.505 -7.203 1.274 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.851 -6.238 0.648 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.781 -3.829 0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.883 -4.955 -1.142 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.063 -3.957 -1.028 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.266 -5.538 -0.299 1.00 0.00 H new ATOM 438 N LYS A 30 -2.869 -5.144 2.878 1.00 0.00 N ATOM 439 CA LYS A 30 -2.910 -4.702 4.301 1.00 0.00 C ATOM 440 C LYS A 30 -2.322 -3.298 4.437 1.00 0.00 C ATOM 441 O LYS A 30 -3.004 -2.366 4.813 1.00 0.00 O ATOM 442 CB LYS A 30 -2.070 -5.714 5.075 1.00 0.00 C ATOM 443 CG LYS A 30 -2.845 -7.029 5.210 1.00 0.00 C ATOM 444 CD LYS A 30 -4.074 -6.812 6.093 1.00 0.00 C ATOM 445 CE LYS A 30 -3.814 -7.397 7.483 1.00 0.00 C ATOM 446 NZ LYS A 30 -5.159 -7.510 8.112 1.00 0.00 N ATOM 0 H LYS A 30 -1.940 -5.173 2.457 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.931 -4.659 4.681 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.126 -5.888 4.559 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.827 -5.321 6.062 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.150 -7.386 4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.205 -7.797 5.643 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.296 -5.748 6.170 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.946 -7.287 5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.326 -8.370 7.417 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.158 -6.751 8.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.057 -7.538 9.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.738 -6.689 7.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.623 -8.382 7.786 1.00 0.00 H new ATOM 460 N ARG A 31 -1.066 -3.136 4.130 1.00 0.00 N ATOM 461 CA ARG A 31 -0.442 -1.786 4.241 1.00 0.00 C ATOM 462 C ARG A 31 0.329 -1.452 2.966 1.00 0.00 C ATOM 463 O ARG A 31 0.753 -2.323 2.237 1.00 0.00 O ATOM 464 CB ARG A 31 0.511 -1.868 5.433 1.00 0.00 C ATOM 465 CG ARG A 31 1.426 -0.643 5.436 1.00 0.00 C ATOM 466 CD ARG A 31 2.186 -0.578 6.762 1.00 0.00 C ATOM 467 NE ARG A 31 3.425 -1.370 6.532 1.00 0.00 N ATOM 468 CZ ARG A 31 4.131 -1.788 7.547 1.00 0.00 C ATOM 469 NH1 ARG A 31 3.554 -2.445 8.516 1.00 0.00 N ATOM 470 NH2 ARG A 31 5.413 -1.550 7.592 1.00 0.00 N ATOM 0 H ARG A 31 -0.444 -3.878 3.807 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.191 -1.006 4.378 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.055 -1.915 6.363 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.106 -2.780 5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.128 -0.698 4.604 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.838 0.264 5.297 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.420 0.451 7.033 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.595 -0.996 7.577 1.00 0.00 H new ATOM 0 HE ARG A 31 3.723 -1.586 5.581 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.552 -2.632 8.480 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.105 -2.772 9.309 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.863 -1.037 6.834 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.965 -1.877 8.385 1.00 0.00 H new ATOM 484 N CYS A 32 0.502 -0.192 2.694 1.00 0.00 N ATOM 485 CA CYS A 32 1.236 0.216 1.461 1.00 0.00 C ATOM 486 C CYS A 32 2.727 -0.122 1.561 1.00 0.00 C ATOM 487 O CYS A 32 3.429 0.384 2.415 1.00 0.00 O ATOM 488 CB CYS A 32 1.046 1.727 1.381 1.00 0.00 C ATOM 489 SG CYS A 32 -0.698 2.094 1.091 1.00 0.00 S ATOM 0 H CYS A 32 0.167 0.578 3.273 1.00 0.00 H new ATOM 0 HA CYS A 32 0.862 -0.305 0.580 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.379 2.197 2.306 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.655 2.140 0.577 1.00 0.00 H new ATOM 494 N ARG A 33 3.223 -0.955 0.682 1.00 0.00 N ATOM 495 CA ARG A 33 4.678 -1.301 0.720 1.00 0.00 C ATOM 496 C ARG A 33 5.161 -1.682 -0.682 1.00 0.00 C ATOM 497 O ARG A 33 4.342 -2.124 -1.469 1.00 0.00 O ATOM 498 CB ARG A 33 4.812 -2.495 1.672 1.00 0.00 C ATOM 499 CG ARG A 33 3.864 -2.331 2.862 1.00 0.00 C ATOM 500 CD ARG A 33 4.052 -3.504 3.829 1.00 0.00 C ATOM 501 NE ARG A 33 2.672 -3.887 4.237 1.00 0.00 N ATOM 502 CZ ARG A 33 2.488 -4.802 5.151 1.00 0.00 C ATOM 503 NH1 ARG A 33 2.659 -4.508 6.411 1.00 0.00 N ATOM 504 NH2 ARG A 33 2.132 -6.010 4.806 1.00 0.00 N ATOM 505 OXT ARG A 33 6.341 -1.523 -0.942 1.00 0.00 O ATOM 0 H ARG A 33 2.687 -1.409 -0.058 1.00 0.00 H new ATOM 0 HA ARG A 33 5.281 -0.458 1.059 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.585 -3.420 1.141 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.840 -2.574 2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.064 -1.389 3.373 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.831 -2.293 2.516 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.567 -4.335 3.347 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.653 -3.214 4.691 1.00 0.00 H new ATOM 0 HE ARG A 33 1.869 -3.434 3.802 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.936 -3.564 6.681 1.00 0.00 H new ATOM 0 HH12 ARG A 33 2.516 -5.222 7.125 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.997 -6.240 3.822 1.00 0.00 H new ATOM 0 HH22 ARG A 33 1.989 -6.723 5.521 1.00 0.00 H new TER 519 ARG A 33