USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=4 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 HE2:sc= -10.3! C(o=-10!,f=-16!) 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= -2.02 K(o=-2,f=-0.35) 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+ 158:sc= 0 (180deg=-0.525) USER MOD Single : A 26 THR OG1 : rot -47:sc= 0.468 USER MOD Single : A 27 ASN : amide:sc= -1.52 K(o=-1.5,f=-0.0079) USER MOD Single : A 30 LYS NZ :NH3+ 143:sc= -1.08 (180deg=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.590 13.675 -8.579 1.00 0.00 N ATOM 2 CA GLY A 1 -1.880 13.106 -7.398 1.00 0.00 C ATOM 3 C GLY A 1 -2.897 12.743 -6.314 1.00 0.00 C ATOM 4 O GLY A 1 -3.183 13.524 -5.429 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.898 13.921 -9.315 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.259 12.972 -8.954 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.110 14.529 -8.293 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.315 12.221 -7.692 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.162 13.828 -7.010 1.00 0.00 H new ATOM 10 N ASP A 2 -3.445 11.560 -6.378 1.00 0.00 N ATOM 11 CA ASP A 2 -4.446 11.143 -5.352 1.00 0.00 C ATOM 12 C ASP A 2 -4.210 9.687 -4.942 1.00 0.00 C ATOM 13 O ASP A 2 -4.608 8.768 -5.629 1.00 0.00 O ATOM 14 CB ASP A 2 -5.803 11.289 -6.041 1.00 0.00 C ATOM 15 CG ASP A 2 -6.921 10.976 -5.044 1.00 0.00 C ATOM 16 OD1 ASP A 2 -7.060 11.720 -4.088 1.00 0.00 O ATOM 17 OD2 ASP A 2 -7.619 9.998 -5.257 1.00 0.00 O ATOM 0 H ASP A 2 -3.244 10.864 -7.096 1.00 0.00 H new ATOM 0 HA ASP A 2 -4.380 11.744 -4.445 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -5.919 12.302 -6.427 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -5.863 10.614 -6.894 1.00 0.00 H new ATOM 22 N CYS A 3 -3.566 9.470 -3.828 1.00 0.00 N ATOM 23 CA CYS A 3 -3.307 8.071 -3.379 1.00 0.00 C ATOM 24 C CYS A 3 -2.861 8.058 -1.915 1.00 0.00 C ATOM 25 O CYS A 3 -2.569 9.087 -1.336 1.00 0.00 O ATOM 26 CB CYS A 3 -2.183 7.569 -4.282 1.00 0.00 C ATOM 27 SG CYS A 3 -0.826 8.770 -4.283 1.00 0.00 S ATOM 0 H CYS A 3 -3.208 10.198 -3.210 1.00 0.00 H new ATOM 0 HA CYS A 3 -4.197 7.445 -3.446 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.826 6.601 -3.931 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.555 7.423 -5.296 1.00 0.00 H new ATOM 32 N LEU A 4 -2.796 6.901 -1.312 1.00 0.00 N ATOM 33 CA LEU A 4 -2.356 6.832 0.111 1.00 0.00 C ATOM 34 C LEU A 4 -0.833 6.667 0.164 1.00 0.00 C ATOM 35 O LEU A 4 -0.212 6.329 -0.823 1.00 0.00 O ATOM 36 CB LEU A 4 -3.067 5.608 0.703 1.00 0.00 C ATOM 37 CG LEU A 4 -4.565 5.682 0.398 1.00 0.00 C ATOM 38 CD1 LEU A 4 -5.079 4.294 0.016 1.00 0.00 C ATOM 39 CD2 LEU A 4 -5.314 6.163 1.639 1.00 0.00 C ATOM 0 H LEU A 4 -3.027 6.005 -1.741 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.603 7.734 0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.646 4.694 0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.907 5.569 1.781 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.730 6.376 -0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.146 4.348 -0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.547 3.939 -0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.911 3.604 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.381 6.216 1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.144 5.466 2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.952 7.151 1.922 1.00 0.00 H new ATOM 51 N PRO A 5 -0.283 6.924 1.313 1.00 0.00 N ATOM 52 CA PRO A 5 1.192 6.821 1.506 1.00 0.00 C ATOM 53 C PRO A 5 1.671 5.380 1.323 1.00 0.00 C ATOM 54 O PRO A 5 0.896 4.445 1.378 1.00 0.00 O ATOM 55 CB PRO A 5 1.385 7.273 2.952 1.00 0.00 C ATOM 56 CG PRO A 5 0.066 7.000 3.589 1.00 0.00 C ATOM 57 CD PRO A 5 -0.959 7.324 2.547 1.00 0.00 C ATOM 0 HA PRO A 5 1.758 7.415 0.788 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.187 6.720 3.440 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.646 8.330 3.009 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.010 5.959 3.903 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.073 7.613 4.480 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -1.885 6.771 2.701 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.217 8.383 2.545 1.00 0.00 H new ATOM 65 N HIS A 6 2.945 5.197 1.103 1.00 0.00 N ATOM 66 CA HIS A 6 3.480 3.836 0.913 1.00 0.00 C ATOM 67 C HIS A 6 3.840 3.208 2.262 1.00 0.00 C ATOM 68 O HIS A 6 4.794 2.468 2.389 1.00 0.00 O ATOM 69 CB HIS A 6 4.721 4.022 0.031 1.00 0.00 C ATOM 70 CG HIS A 6 5.514 2.745 -0.019 1.00 0.00 C ATOM 71 ND1 HIS A 6 6.900 2.737 -0.057 1.00 0.00 N ATOM 72 CD2 HIS A 6 5.133 1.426 -0.025 1.00 0.00 C ATOM 73 CE1 HIS A 6 7.298 1.453 -0.082 1.00 0.00 C ATOM 74 NE2 HIS A 6 6.261 0.613 -0.065 1.00 0.00 N ATOM 0 H HIS A 6 3.637 5.944 1.048 1.00 0.00 H new ATOM 0 HA HIS A 6 2.757 3.163 0.452 1.00 0.00 H new ATOM 0 HB2 HIS A 6 4.421 4.313 -0.976 1.00 0.00 H new ATOM 0 HB3 HIS A 6 5.340 4.828 0.425 1.00 0.00 H new ATOM 0 HD1 HIS A 6 7.507 3.556 -0.065 1.00 0.00 H new ATOM 0 HD2 HIS A 6 4.112 1.073 -0.002 1.00 0.00 H new ATOM 0 HE1 HIS A 6 8.331 1.140 -0.112 1.00 0.00 H new ATOM 82 N LEU A 7 3.069 3.492 3.269 1.00 0.00 N ATOM 83 CA LEU A 7 3.344 2.916 4.601 1.00 0.00 C ATOM 84 C LEU A 7 2.109 2.981 5.509 1.00 0.00 C ATOM 85 O LEU A 7 2.209 2.821 6.708 1.00 0.00 O ATOM 86 CB LEU A 7 4.480 3.757 5.175 1.00 0.00 C ATOM 87 CG LEU A 7 5.800 3.003 5.026 1.00 0.00 C ATOM 88 CD1 LEU A 7 6.894 3.752 5.783 1.00 0.00 C ATOM 89 CD2 LEU A 7 5.650 1.594 5.608 1.00 0.00 C ATOM 0 H LEU A 7 2.254 4.104 3.222 1.00 0.00 H new ATOM 0 HA LEU A 7 3.608 1.861 4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.536 4.714 4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.290 3.974 6.226 1.00 0.00 H new ATOM 0 HG LEU A 7 6.066 2.933 3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.839 3.218 5.680 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.998 4.756 5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.627 3.817 6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.591 1.055 5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.387 1.662 6.664 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.864 1.061 5.073 1.00 0.00 H new ATOM 101 N LYS A 8 0.947 3.200 4.959 1.00 0.00 N ATOM 102 CA LYS A 8 -0.272 3.253 5.815 1.00 0.00 C ATOM 103 C LYS A 8 -1.264 2.182 5.368 1.00 0.00 C ATOM 104 O LYS A 8 -1.406 1.909 4.192 1.00 0.00 O ATOM 105 CB LYS A 8 -0.868 4.645 5.606 1.00 0.00 C ATOM 106 CG LYS A 8 -2.073 4.816 6.533 1.00 0.00 C ATOM 107 CD LYS A 8 -2.283 6.298 6.841 1.00 0.00 C ATOM 108 CE LYS A 8 -3.688 6.500 7.414 1.00 0.00 C ATOM 109 NZ LYS A 8 -3.862 7.976 7.491 1.00 0.00 N ATOM 0 H LYS A 8 0.789 3.344 3.962 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.040 3.072 6.864 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.120 5.410 5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.171 4.772 4.567 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.966 4.403 6.064 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.913 4.262 7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.534 6.643 7.554 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.158 6.891 5.935 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.445 6.046 6.774 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.784 6.039 8.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.803 8.195 7.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.132 8.380 8.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.772 8.386 6.540 1.00 0.00 H new ATOM 123 N ARG A 9 -1.952 1.572 6.292 1.00 0.00 N ATOM 124 CA ARG A 9 -2.933 0.522 5.907 1.00 0.00 C ATOM 125 C ARG A 9 -3.743 0.996 4.700 1.00 0.00 C ATOM 126 O ARG A 9 -4.240 2.104 4.672 1.00 0.00 O ATOM 127 CB ARG A 9 -3.832 0.345 7.131 1.00 0.00 C ATOM 128 CG ARG A 9 -3.768 -1.107 7.611 1.00 0.00 C ATOM 129 CD ARG A 9 -4.959 -1.884 7.044 1.00 0.00 C ATOM 130 NE ARG A 9 -4.640 -3.315 7.300 1.00 0.00 N ATOM 131 CZ ARG A 9 -5.322 -3.987 8.186 1.00 0.00 C ATOM 132 NH1 ARG A 9 -5.112 -3.787 9.459 1.00 0.00 N ATOM 133 NH2 ARG A 9 -6.215 -4.858 7.802 1.00 0.00 N ATOM 0 H ARG A 9 -1.878 1.754 7.293 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.455 -0.416 5.626 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.514 1.016 7.928 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.859 0.611 6.882 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.834 -1.567 7.289 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.782 -1.142 8.700 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.889 -1.593 7.532 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.085 -1.692 5.978 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.888 -3.770 6.783 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.415 -3.106 9.760 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.645 -4.312 10.152 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.381 -5.014 6.808 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.747 -5.383 8.496 1.00 0.00 H new ATOM 147 N CYS A 10 -3.871 0.173 3.697 1.00 0.00 N ATOM 148 CA CYS A 10 -4.639 0.593 2.490 1.00 0.00 C ATOM 149 C CYS A 10 -6.014 -0.075 2.464 1.00 0.00 C ATOM 150 O CYS A 10 -6.290 -0.977 3.227 1.00 0.00 O ATOM 151 CB CYS A 10 -3.795 0.128 1.305 1.00 0.00 C ATOM 152 SG CYS A 10 -3.840 -1.680 1.194 1.00 0.00 S ATOM 0 H CYS A 10 -3.479 -0.768 3.660 1.00 0.00 H new ATOM 0 HA CYS A 10 -4.816 1.668 2.472 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.173 0.568 0.382 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.766 0.469 1.423 1.00 0.00 H new ATOM 157 N LYS A 11 -6.875 0.360 1.585 1.00 0.00 N ATOM 158 CA LYS A 11 -8.230 -0.256 1.498 1.00 0.00 C ATOM 159 C LYS A 11 -8.267 -1.226 0.317 1.00 0.00 C ATOM 160 O LYS A 11 -9.077 -2.129 0.261 1.00 0.00 O ATOM 161 CB LYS A 11 -9.196 0.908 1.263 1.00 0.00 C ATOM 162 CG LYS A 11 -8.809 2.092 2.151 1.00 0.00 C ATOM 163 CD LYS A 11 -9.656 3.309 1.771 1.00 0.00 C ATOM 164 CE LYS A 11 -10.531 3.715 2.958 1.00 0.00 C ATOM 165 NZ LYS A 11 -11.921 3.379 2.544 1.00 0.00 N ATOM 0 H LYS A 11 -6.699 1.116 0.923 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.493 -0.814 2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.173 1.205 0.215 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.217 0.595 1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.964 1.840 3.200 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.750 2.320 2.031 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.010 4.138 1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.281 3.075 0.909 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.247 3.175 3.861 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.430 4.778 3.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.581 3.629 3.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.166 3.913 1.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.988 2.360 2.349 1.00 0.00 H new ATOM 179 N ALA A 12 -7.388 -1.039 -0.627 1.00 0.00 N ATOM 180 CA ALA A 12 -7.352 -1.939 -1.812 1.00 0.00 C ATOM 181 C ALA A 12 -5.961 -1.898 -2.449 1.00 0.00 C ATOM 182 O ALA A 12 -5.182 -1.000 -2.202 1.00 0.00 O ATOM 183 CB ALA A 12 -8.402 -1.378 -2.771 1.00 0.00 C ATOM 0 H ALA A 12 -6.689 -0.296 -0.628 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.558 -2.978 -1.555 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.435 -1.990 -3.672 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.379 -1.390 -2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.141 -0.354 -3.037 1.00 0.00 H new ATOM 189 N ASP A 13 -5.638 -2.865 -3.260 1.00 0.00 N ATOM 190 CA ASP A 13 -4.297 -2.879 -3.901 1.00 0.00 C ATOM 191 C ASP A 13 -3.994 -1.522 -4.547 1.00 0.00 C ATOM 192 O ASP A 13 -2.939 -0.953 -4.351 1.00 0.00 O ATOM 193 CB ASP A 13 -4.380 -3.974 -4.966 1.00 0.00 C ATOM 194 CG ASP A 13 -4.869 -5.274 -4.326 1.00 0.00 C ATOM 195 OD1 ASP A 13 -4.072 -5.924 -3.668 1.00 0.00 O ATOM 196 OD2 ASP A 13 -6.032 -5.599 -4.503 1.00 0.00 O ATOM 0 H ASP A 13 -6.246 -3.646 -3.506 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.501 -3.067 -3.181 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.060 -3.670 -5.762 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.402 -4.127 -5.422 1.00 0.00 H new ATOM 201 N ASN A 14 -4.907 -1.004 -5.327 1.00 0.00 N ATOM 202 CA ASN A 14 -4.664 0.309 -5.997 1.00 0.00 C ATOM 203 C ASN A 14 -5.159 1.478 -5.132 1.00 0.00 C ATOM 204 O ASN A 14 -5.909 2.320 -5.583 1.00 0.00 O ATOM 205 CB ASN A 14 -5.455 0.232 -7.303 1.00 0.00 C ATOM 206 CG ASN A 14 -4.640 -0.534 -8.350 1.00 0.00 C ATOM 207 OD1 ASN A 14 -4.874 -0.399 -9.535 1.00 0.00 O ATOM 208 ND2 ASN A 14 -3.689 -1.338 -7.962 1.00 0.00 N ATOM 0 H ASN A 14 -5.810 -1.433 -5.529 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.602 0.487 -6.164 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.409 -0.267 -7.134 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.679 1.236 -7.664 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.143 -1.853 -8.653 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.492 -1.452 -6.968 1.00 0.00 H new ATOM 215 N ASP A 15 -4.730 1.546 -3.900 1.00 0.00 N ATOM 216 CA ASP A 15 -5.160 2.670 -3.015 1.00 0.00 C ATOM 217 C ASP A 15 -3.940 3.468 -2.549 1.00 0.00 C ATOM 218 O ASP A 15 -4.015 4.649 -2.275 1.00 0.00 O ATOM 219 CB ASP A 15 -5.850 2.009 -1.834 1.00 0.00 C ATOM 220 CG ASP A 15 -7.286 2.523 -1.721 1.00 0.00 C ATOM 221 OD1 ASP A 15 -8.138 1.998 -2.417 1.00 0.00 O ATOM 222 OD2 ASP A 15 -7.508 3.434 -0.940 1.00 0.00 O ATOM 0 H ASP A 15 -4.100 0.871 -3.467 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.821 3.368 -3.528 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.850 0.926 -1.960 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.304 2.223 -0.915 1.00 0.00 H new ATOM 227 N CYS A 16 -2.814 2.820 -2.469 1.00 0.00 N ATOM 228 CA CYS A 16 -1.568 3.510 -2.028 1.00 0.00 C ATOM 229 C CYS A 16 -0.988 4.330 -3.175 1.00 0.00 C ATOM 230 O CYS A 16 -1.431 4.239 -4.302 1.00 0.00 O ATOM 231 CB CYS A 16 -0.620 2.366 -1.688 1.00 0.00 C ATOM 232 SG CYS A 16 -1.387 1.313 -0.434 1.00 0.00 S ATOM 0 H CYS A 16 -2.700 1.831 -2.692 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.736 4.192 -1.195 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.397 1.784 -2.582 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.327 2.760 -1.320 1.00 0.00 H new ATOM 237 N CYS A 17 0.017 5.112 -2.905 1.00 0.00 N ATOM 238 CA CYS A 17 0.635 5.909 -3.994 1.00 0.00 C ATOM 239 C CYS A 17 1.550 4.998 -4.807 1.00 0.00 C ATOM 240 O CYS A 17 2.008 5.352 -5.875 1.00 0.00 O ATOM 241 CB CYS A 17 1.431 7.009 -3.300 1.00 0.00 C ATOM 242 SG CYS A 17 0.292 8.271 -2.676 1.00 0.00 S ATOM 0 H CYS A 17 0.434 5.233 -1.982 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.099 6.338 -4.676 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.012 6.590 -2.479 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.140 7.456 -3.997 1.00 0.00 H new ATOM 247 N GLY A 18 1.793 3.805 -4.322 1.00 0.00 N ATOM 248 CA GLY A 18 2.645 2.858 -5.083 1.00 0.00 C ATOM 249 C GLY A 18 1.727 1.896 -5.835 1.00 0.00 C ATOM 250 O GLY A 18 2.164 1.110 -6.652 1.00 0.00 O ATOM 0 H GLY A 18 1.436 3.453 -3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.285 3.398 -5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.301 2.309 -4.408 1.00 0.00 H new ATOM 254 N LYS A 19 0.449 1.949 -5.551 1.00 0.00 N ATOM 255 CA LYS A 19 -0.506 1.036 -6.235 1.00 0.00 C ATOM 256 C LYS A 19 -0.107 -0.409 -5.950 1.00 0.00 C ATOM 257 O LYS A 19 -0.521 -1.331 -6.625 1.00 0.00 O ATOM 258 CB LYS A 19 -0.382 1.359 -7.725 1.00 0.00 C ATOM 259 CG LYS A 19 -1.431 2.408 -8.110 1.00 0.00 C ATOM 260 CD LYS A 19 -2.264 1.894 -9.286 1.00 0.00 C ATOM 261 CE LYS A 19 -1.502 2.128 -10.592 1.00 0.00 C ATOM 262 NZ LYS A 19 -1.957 1.043 -11.504 1.00 0.00 N ATOM 0 H LYS A 19 0.030 2.587 -4.874 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.533 1.163 -5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.618 1.732 -7.945 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.522 0.455 -8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.078 2.620 -7.258 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.942 3.344 -8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.474 0.832 -9.160 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.225 2.407 -9.316 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.723 3.111 -11.007 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.424 2.084 -10.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.477 1.137 -12.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.727 0.119 -11.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.985 1.114 -11.642 1.00 0.00 H new ATOM 276 N LYS A 20 0.695 -0.606 -4.943 1.00 0.00 N ATOM 277 CA LYS A 20 1.131 -1.979 -4.586 1.00 0.00 C ATOM 278 C LYS A 20 1.082 -2.153 -3.069 1.00 0.00 C ATOM 279 O LYS A 20 2.080 -2.034 -2.382 1.00 0.00 O ATOM 280 CB LYS A 20 2.566 -2.092 -5.099 1.00 0.00 C ATOM 281 CG LYS A 20 2.588 -2.969 -6.351 1.00 0.00 C ATOM 282 CD LYS A 20 4.019 -3.443 -6.620 1.00 0.00 C ATOM 283 CE LYS A 20 4.452 -4.411 -5.515 1.00 0.00 C ATOM 284 NZ LYS A 20 5.612 -5.157 -6.083 1.00 0.00 N ATOM 0 H LYS A 20 1.069 0.133 -4.348 1.00 0.00 H new ATOM 0 HA LYS A 20 0.492 -2.748 -5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.962 -1.102 -5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.207 -2.522 -4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.929 -3.827 -6.218 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.213 -2.408 -7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.074 -3.935 -7.591 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.696 -2.589 -6.656 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.734 -3.874 -4.609 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.642 -5.088 -5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.963 -5.840 -5.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.313 -5.664 -6.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.371 -4.488 -6.324 1.00 0.00 H new ATOM 298 N CYS A 21 -0.071 -2.438 -2.538 1.00 0.00 N ATOM 299 CA CYS A 21 -0.173 -2.623 -1.069 1.00 0.00 C ATOM 300 C CYS A 21 0.340 -4.027 -0.725 1.00 0.00 C ATOM 301 O CYS A 21 0.768 -4.755 -1.597 1.00 0.00 O ATOM 302 CB CYS A 21 -1.665 -2.484 -0.757 1.00 0.00 C ATOM 303 SG CYS A 21 -1.898 -2.217 1.019 1.00 0.00 S ATOM 0 H CYS A 21 -0.943 -2.550 -3.055 1.00 0.00 H new ATOM 0 HA CYS A 21 0.413 -1.906 -0.494 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.087 -1.650 -1.318 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.197 -3.382 -1.072 1.00 0.00 H new ATOM 308 N LYS A 22 0.321 -4.427 0.518 1.00 0.00 N ATOM 309 CA LYS A 22 0.836 -5.794 0.836 1.00 0.00 C ATOM 310 C LYS A 22 0.061 -6.451 1.984 1.00 0.00 C ATOM 311 O LYS A 22 0.159 -6.035 3.123 1.00 0.00 O ATOM 312 CB LYS A 22 2.293 -5.578 1.239 1.00 0.00 C ATOM 313 CG LYS A 22 3.154 -6.699 0.653 1.00 0.00 C ATOM 314 CD LYS A 22 3.042 -6.685 -0.873 1.00 0.00 C ATOM 315 CE LYS A 22 4.355 -7.176 -1.487 1.00 0.00 C ATOM 316 NZ LYS A 22 4.540 -8.553 -0.951 1.00 0.00 N ATOM 0 H LYS A 22 -0.019 -3.883 1.311 1.00 0.00 H new ATOM 0 HA LYS A 22 0.725 -6.463 -0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.642 -4.610 0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.383 -5.565 2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.194 -6.568 0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.829 -7.663 1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.218 -7.322 -1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.820 -5.677 -1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.304 -7.180 -2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.187 -6.529 -1.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.175 -9.087 -1.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.955 -8.502 0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.619 -9.033 -0.902 1.00 0.00 H new ATOM 330 N ARG A 23 -0.684 -7.493 1.678 1.00 0.00 N ATOM 331 CA ARG A 23 -1.464 -8.235 2.719 1.00 0.00 C ATOM 332 C ARG A 23 -0.787 -9.566 3.031 1.00 0.00 C ATOM 333 O ARG A 23 -0.157 -10.173 2.187 1.00 0.00 O ATOM 334 CB ARG A 23 -2.854 -8.454 2.096 1.00 0.00 C ATOM 335 CG ARG A 23 -3.505 -9.735 2.652 1.00 0.00 C ATOM 336 CD ARG A 23 -4.969 -9.466 3.008 1.00 0.00 C ATOM 337 NE ARG A 23 -5.709 -10.653 2.501 1.00 0.00 N ATOM 338 CZ ARG A 23 -6.880 -10.952 2.993 1.00 0.00 C ATOM 339 NH1 ARG A 23 -6.965 -11.627 4.108 1.00 0.00 N ATOM 340 NH2 ARG A 23 -7.964 -10.574 2.374 1.00 0.00 N ATOM 0 H ARG A 23 -0.784 -7.864 0.733 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.529 -7.689 3.660 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.492 -7.595 2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.765 -8.527 1.012 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.443 -10.534 1.914 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.964 -10.074 3.535 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.099 -9.349 4.084 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.327 -8.548 2.542 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.301 -11.233 1.768 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.117 -11.920 4.593 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.880 -11.861 4.494 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.897 -10.044 1.505 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.879 -10.808 2.759 1.00 0.00 H new ATOM 354 N ARG A 24 -0.930 -10.031 4.239 1.00 0.00 N ATOM 355 CA ARG A 24 -0.313 -11.334 4.607 1.00 0.00 C ATOM 356 C ARG A 24 -1.188 -12.478 4.083 1.00 0.00 C ATOM 357 O ARG A 24 -1.582 -13.362 4.816 1.00 0.00 O ATOM 358 CB ARG A 24 -0.265 -11.341 6.136 1.00 0.00 C ATOM 359 CG ARG A 24 1.125 -11.783 6.600 1.00 0.00 C ATOM 360 CD ARG A 24 1.928 -10.562 7.054 1.00 0.00 C ATOM 361 NE ARG A 24 3.351 -10.919 6.791 1.00 0.00 N ATOM 362 CZ ARG A 24 4.137 -11.243 7.780 1.00 0.00 C ATOM 363 NH1 ARG A 24 4.184 -10.497 8.848 1.00 0.00 N ATOM 364 NH2 ARG A 24 4.880 -12.313 7.700 1.00 0.00 N ATOM 0 H ARG A 24 -1.446 -9.567 4.986 1.00 0.00 H new ATOM 0 HA ARG A 24 0.681 -11.464 4.180 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.490 -10.347 6.522 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.024 -12.016 6.531 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.036 -12.497 7.419 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.645 -12.292 5.789 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.636 -9.669 6.501 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.762 -10.351 8.110 1.00 0.00 H new ATOM 0 HE ARG A 24 3.710 -10.910 5.836 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.606 -9.659 8.911 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.799 -10.751 9.621 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.846 -12.896 6.864 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.495 -12.566 8.474 1.00 0.00 H new ATOM 378 N GLY A 25 -1.492 -12.456 2.812 1.00 0.00 N ATOM 379 CA GLY A 25 -2.342 -13.528 2.218 1.00 0.00 C ATOM 380 C GLY A 25 -2.649 -13.177 0.759 1.00 0.00 C ATOM 381 O GLY A 25 -3.555 -12.421 0.472 1.00 0.00 O ATOM 0 H GLY A 25 -1.186 -11.737 2.157 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.829 -14.488 2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.269 -13.629 2.783 1.00 0.00 H new ATOM 385 N THR A 26 -1.891 -13.716 -0.160 1.00 0.00 N ATOM 386 CA THR A 26 -2.118 -13.417 -1.608 1.00 0.00 C ATOM 387 C THR A 26 -2.503 -11.953 -1.800 1.00 0.00 C ATOM 388 O THR A 26 -3.322 -11.615 -2.631 1.00 0.00 O ATOM 389 CB THR A 26 -3.255 -14.341 -2.050 1.00 0.00 C ATOM 390 OG1 THR A 26 -3.415 -14.246 -3.460 1.00 0.00 O ATOM 391 CG2 THR A 26 -4.557 -13.928 -1.361 1.00 0.00 C ATOM 0 H THR A 26 -1.119 -14.355 0.030 1.00 0.00 H new ATOM 0 HA THR A 26 -1.217 -13.583 -2.199 1.00 0.00 H new ATOM 0 HB THR A 26 -3.014 -15.368 -1.775 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.431 -13.303 -3.725 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.363 -14.589 -1.680 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.435 -13.999 -0.280 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.802 -12.901 -1.632 1.00 0.00 H new ATOM 399 N ASN A 27 -1.904 -11.089 -1.038 1.00 0.00 N ATOM 400 CA ASN A 27 -2.207 -9.632 -1.156 1.00 0.00 C ATOM 401 C ASN A 27 -3.715 -9.387 -1.039 1.00 0.00 C ATOM 402 O ASN A 27 -4.514 -10.293 -1.169 1.00 0.00 O ATOM 403 CB ASN A 27 -1.705 -9.237 -2.544 1.00 0.00 C ATOM 404 CG ASN A 27 -0.202 -8.959 -2.482 1.00 0.00 C ATOM 405 OD1 ASN A 27 0.301 -8.119 -3.201 1.00 0.00 O ATOM 406 ND2 ASN A 27 0.541 -9.633 -1.648 1.00 0.00 N ATOM 0 H ASN A 27 -1.210 -11.327 -0.330 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.733 -9.048 -0.367 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.909 -10.036 -3.257 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.235 -8.352 -2.896 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.544 -9.455 -1.600 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.119 -10.338 -1.044 1.00 0.00 H new ATOM 413 N ALA A 28 -4.113 -8.165 -0.790 1.00 0.00 N ATOM 414 CA ALA A 28 -5.572 -7.864 -0.666 1.00 0.00 C ATOM 415 C ALA A 28 -5.784 -6.466 -0.083 1.00 0.00 C ATOM 416 O ALA A 28 -6.274 -5.572 -0.744 1.00 0.00 O ATOM 417 CB ALA A 28 -6.125 -8.921 0.292 1.00 0.00 C ATOM 0 H ALA A 28 -3.493 -7.365 -0.667 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.071 -7.887 -1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.194 -8.762 0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.957 -9.914 -0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.618 -8.841 1.254 1.00 0.00 H new ATOM 423 N GLU A 29 -5.432 -6.278 1.156 1.00 0.00 N ATOM 424 CA GLU A 29 -5.625 -4.948 1.795 1.00 0.00 C ATOM 425 C GLU A 29 -4.955 -4.901 3.177 1.00 0.00 C ATOM 426 O GLU A 29 -5.611 -4.991 4.195 1.00 0.00 O ATOM 427 CB GLU A 29 -7.142 -4.810 1.933 1.00 0.00 C ATOM 428 CG GLU A 29 -7.487 -3.417 2.458 1.00 0.00 C ATOM 429 CD GLU A 29 -7.666 -3.470 3.976 1.00 0.00 C ATOM 430 OE1 GLU A 29 -8.386 -4.339 4.438 1.00 0.00 O ATOM 431 OE2 GLU A 29 -7.078 -2.640 4.652 1.00 0.00 O ATOM 0 H GLU A 29 -5.017 -6.991 1.756 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.181 -4.142 1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.621 -4.974 0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.526 -5.571 2.613 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.695 -2.714 2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.401 -3.056 1.986 1.00 0.00 H new ATOM 438 N LYS A 30 -3.658 -4.739 3.223 1.00 0.00 N ATOM 439 CA LYS A 30 -2.967 -4.659 4.543 1.00 0.00 C ATOM 440 C LYS A 30 -2.324 -3.291 4.717 1.00 0.00 C ATOM 441 O LYS A 30 -2.895 -2.389 5.298 1.00 0.00 O ATOM 442 CB LYS A 30 -1.902 -5.704 4.527 1.00 0.00 C ATOM 443 CG LYS A 30 -2.269 -6.803 5.534 1.00 0.00 C ATOM 444 CD LYS A 30 -3.611 -7.425 5.152 1.00 0.00 C ATOM 445 CE LYS A 30 -4.161 -8.214 6.343 1.00 0.00 C ATOM 446 NZ LYS A 30 -5.230 -7.350 6.913 1.00 0.00 N ATOM 0 H LYS A 30 -3.051 -4.659 2.408 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.672 -4.811 5.361 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.803 -6.127 3.527 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.938 -5.264 4.784 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.494 -7.569 5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.324 -6.385 6.539 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.316 -6.646 4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.488 -8.082 4.291 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.559 -9.179 6.028 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.381 -8.415 7.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.017 -7.944 7.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.847 -6.806 7.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.574 -6.695 6.182 1.00 0.00 H new ATOM 460 N ARG A 31 -1.135 -3.130 4.199 1.00 0.00 N ATOM 461 CA ARG A 31 -0.443 -1.821 4.317 1.00 0.00 C ATOM 462 C ARG A 31 0.328 -1.533 3.032 1.00 0.00 C ATOM 463 O ARG A 31 0.799 -2.430 2.365 1.00 0.00 O ATOM 464 CB ARG A 31 0.512 -1.977 5.501 1.00 0.00 C ATOM 465 CG ARG A 31 0.007 -1.139 6.677 1.00 0.00 C ATOM 466 CD ARG A 31 0.650 -1.633 7.974 1.00 0.00 C ATOM 467 NE ARG A 31 -0.484 -2.118 8.806 1.00 0.00 N ATOM 468 CZ ARG A 31 -0.304 -3.109 9.635 1.00 0.00 C ATOM 469 NH1 ARG A 31 -0.410 -4.339 9.214 1.00 0.00 N ATOM 470 NH2 ARG A 31 -0.017 -2.870 10.886 1.00 0.00 N ATOM 0 H ARG A 31 -0.616 -3.852 3.699 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.135 -0.993 4.470 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.581 -3.026 5.791 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.515 -1.658 5.217 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.248 -0.088 6.517 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.078 -1.210 6.747 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.367 -2.431 7.780 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.193 -0.832 8.475 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.400 -1.677 8.728 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.634 -4.526 8.237 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.269 -5.114 9.862 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.066 -1.908 11.215 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.124 -3.645 11.534 1.00 0.00 H new ATOM 484 N CYS A 32 0.448 -0.290 2.671 1.00 0.00 N ATOM 485 CA CYS A 32 1.181 0.048 1.418 1.00 0.00 C ATOM 486 C CYS A 32 2.654 -0.365 1.524 1.00 0.00 C ATOM 487 O CYS A 32 3.362 0.065 2.412 1.00 0.00 O ATOM 488 CB CYS A 32 1.065 1.566 1.291 1.00 0.00 C ATOM 489 SG CYS A 32 -0.681 2.035 1.313 1.00 0.00 S ATOM 0 H CYS A 32 0.073 0.507 3.185 1.00 0.00 H new ATOM 0 HA CYS A 32 0.770 -0.473 0.553 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.595 2.053 2.110 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.532 1.902 0.365 1.00 0.00 H new ATOM 494 N ARG A 33 3.126 -1.185 0.619 1.00 0.00 N ATOM 495 CA ARG A 33 4.559 -1.604 0.673 1.00 0.00 C ATOM 496 C ARG A 33 5.126 -1.696 -0.745 1.00 0.00 C ATOM 497 O ARG A 33 5.839 -2.648 -1.018 1.00 0.00 O ATOM 498 CB ARG A 33 4.569 -2.983 1.344 1.00 0.00 C ATOM 499 CG ARG A 33 3.625 -2.982 2.550 1.00 0.00 C ATOM 500 CD ARG A 33 4.185 -3.887 3.650 1.00 0.00 C ATOM 501 NE ARG A 33 3.182 -3.813 4.751 1.00 0.00 N ATOM 502 CZ ARG A 33 3.546 -4.048 5.984 1.00 0.00 C ATOM 503 NH1 ARG A 33 3.658 -5.277 6.409 1.00 0.00 N ATOM 504 NH2 ARG A 33 3.801 -3.054 6.789 1.00 0.00 N ATOM 505 OXT ARG A 33 4.836 -0.813 -1.534 1.00 0.00 O ATOM 0 H ARG A 33 2.585 -1.580 -0.150 1.00 0.00 H new ATOM 0 HA ARG A 33 5.171 -0.891 1.225 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.260 -3.747 0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.580 -3.235 1.663 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.505 -1.967 2.928 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.636 -3.329 2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.309 -4.910 3.296 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.165 -3.545 3.984 1.00 0.00 H new ATOM 0 HE ARG A 33 2.212 -3.579 4.542 1.00 0.00 H new ATOM 0 HH11 ARG A 33 3.461 -6.054 5.779 1.00 0.00 H new ATOM 0 HH12 ARG A 33 3.942 -5.460 7.371 1.00 0.00 H new ATOM 0 HH21 ARG A 33 3.716 -2.094 6.456 1.00 0.00 H new ATOM 0 HH22 ARG A 33 4.085 -3.237 7.751 1.00 0.00 H new TER 519 ARG A 33