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 :FLIP no HD1:sc= -2.34! C(o=-4.6!,f=-2.3!) 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= -1.58 X(o=-1.6,f=-1.2!) 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+ 153:sc= -2.66 (180deg=-3.55!) USER MOD Single : A 26 THR OG1 : rot -68:sc= 1.08 USER MOD Single : A 27 ASN :FLIP amide:sc= -1.53! C(o=-2.1!,f=-1.5!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.748 11.839 -6.198 1.00 0.00 N ATOM 2 CA GLY A 1 -8.390 10.423 -5.900 1.00 0.00 C ATOM 3 C GLY A 1 -7.641 10.353 -4.570 1.00 0.00 C ATOM 4 O GLY A 1 -8.085 9.724 -3.629 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.258 11.885 -7.103 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.355 12.211 -5.440 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.881 12.411 -6.259 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.291 9.811 -5.854 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.770 10.018 -6.700 1.00 0.00 H new ATOM 10 N ASP A 2 -6.507 10.993 -4.482 1.00 0.00 N ATOM 11 CA ASP A 2 -5.729 10.961 -3.210 1.00 0.00 C ATOM 12 C ASP A 2 -5.274 9.532 -2.905 1.00 0.00 C ATOM 13 O ASP A 2 -6.031 8.723 -2.408 1.00 0.00 O ATOM 14 CB ASP A 2 -6.697 11.452 -2.134 1.00 0.00 C ATOM 15 CG ASP A 2 -5.994 12.482 -1.247 1.00 0.00 C ATOM 16 OD1 ASP A 2 -5.327 12.072 -0.312 1.00 0.00 O ATOM 17 OD2 ASP A 2 -6.135 13.663 -1.519 1.00 0.00 O ATOM 0 H ASP A 2 -6.085 11.536 -5.235 1.00 0.00 H new ATOM 0 HA ASP A 2 -4.833 11.579 -3.263 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.578 11.896 -2.598 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.043 10.613 -1.531 1.00 0.00 H new ATOM 22 N CYS A 3 -4.042 9.220 -3.195 1.00 0.00 N ATOM 23 CA CYS A 3 -3.538 7.845 -2.917 1.00 0.00 C ATOM 24 C CYS A 3 -2.830 7.809 -1.562 1.00 0.00 C ATOM 25 O CYS A 3 -2.404 8.823 -1.046 1.00 0.00 O ATOM 26 CB CYS A 3 -2.548 7.548 -4.043 1.00 0.00 C ATOM 27 SG CYS A 3 -1.231 8.791 -4.029 1.00 0.00 S ATOM 0 H CYS A 3 -3.362 9.856 -3.612 1.00 0.00 H new ATOM 0 HA CYS A 3 -4.343 7.111 -2.878 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.124 6.552 -3.916 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.061 7.556 -5.005 1.00 0.00 H new ATOM 32 N LEU A 4 -2.696 6.649 -0.984 1.00 0.00 N ATOM 33 CA LEU A 4 -2.013 6.550 0.334 1.00 0.00 C ATOM 34 C LEU A 4 -0.521 6.276 0.127 1.00 0.00 C ATOM 35 O LEU A 4 -0.118 5.777 -0.893 1.00 0.00 O ATOM 36 CB LEU A 4 -2.696 5.380 1.042 1.00 0.00 C ATOM 37 CG LEU A 4 -4.204 5.636 1.081 1.00 0.00 C ATOM 38 CD1 LEU A 4 -4.935 4.517 0.340 1.00 0.00 C ATOM 39 CD2 LEU A 4 -4.679 5.680 2.535 1.00 0.00 C ATOM 0 H LEU A 4 -3.030 5.765 -1.368 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.085 7.468 0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.485 4.448 0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.306 5.272 2.054 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.420 6.590 0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.009 4.702 0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.600 4.488 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.718 3.562 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.753 5.862 2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.461 4.728 3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.162 6.481 3.063 1.00 0.00 H new ATOM 51 N PRO A 5 0.244 6.620 1.110 1.00 0.00 N ATOM 52 CA PRO A 5 1.722 6.424 1.051 1.00 0.00 C ATOM 53 C PRO A 5 2.063 4.931 1.032 1.00 0.00 C ATOM 54 O PRO A 5 1.190 4.092 1.115 1.00 0.00 O ATOM 55 CB PRO A 5 2.200 7.055 2.353 1.00 0.00 C ATOM 56 CG PRO A 5 1.007 6.964 3.246 1.00 0.00 C ATOM 57 CD PRO A 5 -0.176 7.215 2.372 1.00 0.00 C ATOM 0 HA PRO A 5 2.180 6.857 0.162 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.054 6.519 2.768 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.513 8.089 2.206 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.945 5.983 3.716 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.063 7.699 4.049 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -1.079 6.746 2.763 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.389 8.279 2.270 1.00 0.00 H new ATOM 65 N HIS A 6 3.322 4.588 0.936 1.00 0.00 N ATOM 66 CA HIS A 6 3.693 3.159 0.927 1.00 0.00 C ATOM 67 C HIS A 6 3.893 2.658 2.360 1.00 0.00 C ATOM 68 O HIS A 6 4.680 1.781 2.630 1.00 0.00 O ATOM 69 CB HIS A 6 4.981 3.065 0.084 1.00 0.00 C ATOM 70 CG HIS A 6 6.211 3.147 0.955 1.00 0.00 C ATOM 71 ND1 HIS A 6 6.898 2.195 1.668 1.00 0.00 N flip ATOM 72 CD2 HIS A 6 6.896 4.332 1.157 1.00 0.00 C flip ATOM 73 CE1 HIS A 6 7.991 2.773 2.297 1.00 0.00 C flip ATOM 74 NE2 HIS A 6 7.943 4.061 1.957 1.00 0.00 N flip ATOM 0 H HIS A 6 4.102 5.242 0.864 1.00 0.00 H new ATOM 0 HA HIS A 6 2.915 2.528 0.497 1.00 0.00 H new ATOM 0 HB2 HIS A 6 4.987 2.127 -0.471 1.00 0.00 H new ATOM 0 HB3 HIS A 6 4.998 3.870 -0.650 1.00 0.00 H new ATOM 0 HD2 HIS A 6 6.638 5.297 0.748 1.00 0.00 H new ATOM 0 HE1 HIS A 6 8.722 2.286 2.925 1.00 0.00 H new ATOM 0 HE2 HIS A 6 8.620 4.758 2.267 1.00 0.00 H new ATOM 82 N LEU A 7 3.158 3.207 3.274 1.00 0.00 N ATOM 83 CA LEU A 7 3.273 2.786 4.683 1.00 0.00 C ATOM 84 C LEU A 7 1.970 3.072 5.434 1.00 0.00 C ATOM 85 O LEU A 7 1.970 3.352 6.616 1.00 0.00 O ATOM 86 CB LEU A 7 4.426 3.612 5.254 1.00 0.00 C ATOM 87 CG LEU A 7 5.380 2.702 6.028 1.00 0.00 C ATOM 88 CD1 LEU A 7 4.659 2.128 7.247 1.00 0.00 C ATOM 89 CD2 LEU A 7 5.848 1.558 5.125 1.00 0.00 C ATOM 0 H LEU A 7 2.472 3.941 3.100 1.00 0.00 H new ATOM 0 HA LEU A 7 3.458 1.716 4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.961 4.113 4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.038 4.390 5.911 1.00 0.00 H new ATOM 0 HG LEU A 7 6.245 3.280 6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.339 1.479 7.799 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.330 2.943 7.892 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.793 1.552 6.920 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.528 0.911 5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.986 0.979 4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.364 1.968 4.257 1.00 0.00 H new ATOM 101 N LYS A 8 0.860 2.995 4.755 1.00 0.00 N ATOM 102 CA LYS A 8 -0.445 3.250 5.425 1.00 0.00 C ATOM 103 C LYS A 8 -1.425 2.127 5.094 1.00 0.00 C ATOM 104 O LYS A 8 -1.332 1.495 4.062 1.00 0.00 O ATOM 105 CB LYS A 8 -0.943 4.574 4.849 1.00 0.00 C ATOM 106 CG LYS A 8 -0.622 5.705 5.826 1.00 0.00 C ATOM 107 CD LYS A 8 -1.919 6.227 6.448 1.00 0.00 C ATOM 108 CE LYS A 8 -2.464 5.194 7.435 1.00 0.00 C ATOM 109 NZ LYS A 8 -2.272 5.807 8.779 1.00 0.00 N ATOM 0 H LYS A 8 0.800 2.766 3.763 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.350 3.291 6.510 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.470 4.765 3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.017 4.525 4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.049 5.346 6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.105 6.512 5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.735 7.172 6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.655 6.424 5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.516 4.982 7.244 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.929 4.248 7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.623 5.156 9.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.260 5.991 8.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.799 6.702 8.831 1.00 0.00 H new ATOM 123 N ARG A 9 -2.366 1.873 5.956 1.00 0.00 N ATOM 124 CA ARG A 9 -3.346 0.791 5.678 1.00 0.00 C ATOM 125 C ARG A 9 -4.122 1.126 4.398 1.00 0.00 C ATOM 126 O ARG A 9 -4.494 2.259 4.167 1.00 0.00 O ATOM 127 CB ARG A 9 -4.255 0.763 6.918 1.00 0.00 C ATOM 128 CG ARG A 9 -5.706 0.449 6.528 1.00 0.00 C ATOM 129 CD ARG A 9 -5.746 -0.826 5.683 1.00 0.00 C ATOM 130 NE ARG A 9 -6.598 -1.775 6.454 1.00 0.00 N ATOM 131 CZ ARG A 9 -7.784 -1.411 6.859 1.00 0.00 C ATOM 132 NH1 ARG A 9 -8.628 -0.876 6.018 1.00 0.00 N ATOM 133 NH2 ARG A 9 -8.130 -1.586 8.105 1.00 0.00 N ATOM 0 H ARG A 9 -2.499 2.366 6.839 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.887 -0.183 5.511 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.893 0.013 7.622 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.212 1.726 7.427 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.315 0.323 7.423 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.131 1.282 5.968 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.166 -0.632 4.696 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.745 -1.229 5.530 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.253 -2.711 6.666 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.361 -0.742 5.043 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.555 -0.592 6.336 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.474 -2.007 8.762 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.057 -1.302 8.422 1.00 0.00 H new ATOM 147 N CYS A 10 -4.361 0.153 3.560 1.00 0.00 N ATOM 148 CA CYS A 10 -5.099 0.437 2.295 1.00 0.00 C ATOM 149 C CYS A 10 -6.305 -0.494 2.140 1.00 0.00 C ATOM 150 O CYS A 10 -6.236 -1.672 2.428 1.00 0.00 O ATOM 151 CB CYS A 10 -4.079 0.192 1.178 1.00 0.00 C ATOM 152 SG CYS A 10 -3.830 -1.590 0.930 1.00 0.00 S ATOM 0 H CYS A 10 -4.080 -0.818 3.695 1.00 0.00 H new ATOM 0 HA CYS A 10 -5.494 1.453 2.276 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.427 0.650 0.252 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.131 0.667 1.432 1.00 0.00 H new ATOM 157 N LYS A 11 -7.405 0.029 1.670 1.00 0.00 N ATOM 158 CA LYS A 11 -8.612 -0.822 1.474 1.00 0.00 C ATOM 159 C LYS A 11 -8.538 -1.504 0.106 1.00 0.00 C ATOM 160 O LYS A 11 -9.304 -2.397 -0.200 1.00 0.00 O ATOM 161 CB LYS A 11 -9.799 0.143 1.531 1.00 0.00 C ATOM 162 CG LYS A 11 -11.099 -0.656 1.646 1.00 0.00 C ATOM 163 CD LYS A 11 -11.222 -1.231 3.058 1.00 0.00 C ATOM 164 CE LYS A 11 -12.420 -2.181 3.119 1.00 0.00 C ATOM 165 NZ LYS A 11 -12.761 -2.276 4.566 1.00 0.00 N ATOM 0 H LYS A 11 -7.519 1.010 1.413 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.698 -1.606 2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.695 0.814 2.383 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.819 0.765 0.636 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.953 -0.015 1.428 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.109 -1.462 0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.309 -1.762 3.327 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.346 -0.425 3.781 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.259 -1.796 2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.170 -3.159 2.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.575 -2.911 4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.946 -2.652 5.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.001 -1.331 4.929 1.00 0.00 H new ATOM 179 N ALA A 12 -7.610 -1.089 -0.714 1.00 0.00 N ATOM 180 CA ALA A 12 -7.464 -1.706 -2.062 1.00 0.00 C ATOM 181 C ALA A 12 -6.009 -1.586 -2.525 1.00 0.00 C ATOM 182 O ALA A 12 -5.415 -0.531 -2.462 1.00 0.00 O ATOM 183 CB ALA A 12 -8.389 -0.898 -2.972 1.00 0.00 C ATOM 0 H ALA A 12 -6.944 -0.345 -0.506 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.720 -2.765 -2.070 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.337 -1.293 -3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.413 -0.970 -2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.077 0.146 -2.973 1.00 0.00 H new ATOM 189 N ASP A 13 -5.428 -2.659 -2.981 1.00 0.00 N ATOM 190 CA ASP A 13 -4.012 -2.601 -3.440 1.00 0.00 C ATOM 191 C ASP A 13 -3.751 -1.314 -4.232 1.00 0.00 C ATOM 192 O ASP A 13 -2.653 -0.795 -4.247 1.00 0.00 O ATOM 193 CB ASP A 13 -3.842 -3.821 -4.343 1.00 0.00 C ATOM 194 CG ASP A 13 -4.300 -5.077 -3.598 1.00 0.00 C ATOM 195 OD1 ASP A 13 -3.540 -5.568 -2.780 1.00 0.00 O ATOM 196 OD2 ASP A 13 -5.405 -5.524 -3.856 1.00 0.00 O ATOM 0 H ASP A 13 -5.872 -3.574 -3.056 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.313 -2.603 -2.604 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.424 -3.695 -5.256 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.799 -3.923 -4.642 1.00 0.00 H new ATOM 201 N ASN A 14 -4.749 -0.801 -4.898 1.00 0.00 N ATOM 202 CA ASN A 14 -4.554 0.446 -5.700 1.00 0.00 C ATOM 203 C ASN A 14 -4.850 1.704 -4.869 1.00 0.00 C ATOM 204 O ASN A 14 -4.947 2.791 -5.400 1.00 0.00 O ATOM 205 CB ASN A 14 -5.548 0.328 -6.855 1.00 0.00 C ATOM 206 CG ASN A 14 -6.964 0.579 -6.334 1.00 0.00 C ATOM 207 OD1 ASN A 14 -7.349 1.710 -6.111 1.00 0.00 O ATOM 208 ND2 ASN A 14 -7.759 -0.434 -6.126 1.00 0.00 N ATOM 0 H ASN A 14 -5.692 -1.189 -4.923 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.523 0.544 -6.040 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.303 1.048 -7.635 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.484 -0.663 -7.304 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.704 -0.277 -5.776 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.436 -1.383 -6.313 1.00 0.00 H new ATOM 215 N ASP A 15 -4.995 1.576 -3.576 1.00 0.00 N ATOM 216 CA ASP A 15 -5.284 2.784 -2.743 1.00 0.00 C ATOM 217 C ASP A 15 -3.986 3.513 -2.374 1.00 0.00 C ATOM 218 O ASP A 15 -3.989 4.680 -2.038 1.00 0.00 O ATOM 219 CB ASP A 15 -5.983 2.256 -1.501 1.00 0.00 C ATOM 220 CG ASP A 15 -7.356 2.914 -1.366 1.00 0.00 C ATOM 221 OD1 ASP A 15 -7.838 3.446 -2.353 1.00 0.00 O ATOM 222 OD2 ASP A 15 -7.906 2.876 -0.277 1.00 0.00 O ATOM 0 H ASP A 15 -4.927 0.697 -3.063 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.901 3.508 -3.276 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.092 1.173 -1.566 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.381 2.463 -0.617 1.00 0.00 H new ATOM 227 N CYS A 16 -2.880 2.831 -2.447 1.00 0.00 N ATOM 228 CA CYS A 16 -1.568 3.466 -2.118 1.00 0.00 C ATOM 229 C CYS A 16 -1.092 4.308 -3.304 1.00 0.00 C ATOM 230 O CYS A 16 -1.625 4.223 -4.393 1.00 0.00 O ATOM 231 CB CYS A 16 -0.631 2.277 -1.916 1.00 0.00 C ATOM 232 SG CYS A 16 -1.398 1.094 -0.777 1.00 0.00 S ATOM 0 H CYS A 16 -2.824 1.851 -2.723 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.615 4.123 -1.250 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.424 1.796 -2.872 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.325 2.617 -1.516 1.00 0.00 H new ATOM 237 N CYS A 17 -0.087 5.110 -3.107 1.00 0.00 N ATOM 238 CA CYS A 17 0.433 5.945 -4.219 1.00 0.00 C ATOM 239 C CYS A 17 1.358 5.099 -5.090 1.00 0.00 C ATOM 240 O CYS A 17 1.696 5.468 -6.198 1.00 0.00 O ATOM 241 CB CYS A 17 1.209 7.074 -3.544 1.00 0.00 C ATOM 242 SG CYS A 17 0.062 8.129 -2.625 1.00 0.00 S ATOM 0 H CYS A 17 0.399 5.223 -2.218 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.357 6.335 -4.861 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.960 6.661 -2.870 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.741 7.662 -4.292 1.00 0.00 H new ATOM 247 N GLY A 18 1.757 3.953 -4.603 1.00 0.00 N ATOM 248 CA GLY A 18 2.642 3.079 -5.413 1.00 0.00 C ATOM 249 C GLY A 18 1.779 2.033 -6.115 1.00 0.00 C ATOM 250 O GLY A 18 2.256 1.266 -6.926 1.00 0.00 O ATOM 0 H GLY A 18 1.507 3.590 -3.683 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.191 3.671 -6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.382 2.594 -4.776 1.00 0.00 H new ATOM 254 N LYS A 19 0.512 1.989 -5.794 1.00 0.00 N ATOM 255 CA LYS A 19 -0.382 0.981 -6.430 1.00 0.00 C ATOM 256 C LYS A 19 0.082 -0.419 -6.042 1.00 0.00 C ATOM 257 O LYS A 19 -0.346 -1.409 -6.600 1.00 0.00 O ATOM 258 CB LYS A 19 -0.235 1.197 -7.938 1.00 0.00 C ATOM 259 CG LYS A 19 -0.353 2.687 -8.260 1.00 0.00 C ATOM 260 CD LYS A 19 -1.070 2.862 -9.601 1.00 0.00 C ATOM 261 CE LYS A 19 -2.270 3.795 -9.421 1.00 0.00 C ATOM 262 NZ LYS A 19 -2.993 3.751 -10.724 1.00 0.00 N ATOM 0 H LYS A 19 0.060 2.607 -5.120 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.420 1.085 -6.114 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.729 0.817 -8.277 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.004 0.638 -8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.904 3.198 -7.471 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.637 3.141 -8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.384 3.274 -10.341 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.402 1.894 -9.977 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.910 3.462 -8.604 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.949 4.809 -9.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.829 4.367 -10.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.362 4.080 -11.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.293 2.775 -10.922 1.00 0.00 H new ATOM 276 N LYS A 20 0.960 -0.504 -5.082 1.00 0.00 N ATOM 277 CA LYS A 20 1.461 -1.830 -4.646 1.00 0.00 C ATOM 278 C LYS A 20 1.318 -1.967 -3.130 1.00 0.00 C ATOM 279 O LYS A 20 2.269 -1.811 -2.383 1.00 0.00 O ATOM 280 CB LYS A 20 2.935 -1.852 -5.054 1.00 0.00 C ATOM 281 CG LYS A 20 3.191 -3.048 -5.972 1.00 0.00 C ATOM 282 CD LYS A 20 4.574 -3.631 -5.679 1.00 0.00 C ATOM 283 CE LYS A 20 5.533 -3.272 -6.815 1.00 0.00 C ATOM 284 NZ LYS A 20 6.012 -1.899 -6.492 1.00 0.00 N ATOM 0 H LYS A 20 1.352 0.293 -4.581 1.00 0.00 H new ATOM 0 HA LYS A 20 0.906 -2.654 -5.095 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.196 -0.925 -5.565 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.568 -1.917 -4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.425 -3.808 -5.819 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.129 -2.739 -7.015 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.951 -3.241 -4.734 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.508 -4.714 -5.573 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.362 -3.977 -6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.029 -3.298 -7.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.676 -1.581 -7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.201 -1.249 -6.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.494 -1.907 -5.570 1.00 0.00 H new ATOM 298 N CYS A 21 0.140 -2.267 -2.662 1.00 0.00 N ATOM 299 CA CYS A 21 -0.035 -2.427 -1.199 1.00 0.00 C ATOM 300 C CYS A 21 0.485 -3.813 -0.812 1.00 0.00 C ATOM 301 O CYS A 21 1.082 -4.492 -1.622 1.00 0.00 O ATOM 302 CB CYS A 21 -1.539 -2.298 -0.943 1.00 0.00 C ATOM 303 SG CYS A 21 -1.824 -1.807 0.780 1.00 0.00 S ATOM 0 H CYS A 21 -0.699 -2.407 -3.225 1.00 0.00 H new ATOM 0 HA CYS A 21 0.509 -1.687 -0.611 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.971 -1.559 -1.618 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.036 -3.246 -1.148 1.00 0.00 H new ATOM 308 N LYS A 22 0.286 -4.252 0.396 1.00 0.00 N ATOM 309 CA LYS A 22 0.808 -5.604 0.757 1.00 0.00 C ATOM 310 C LYS A 22 0.064 -6.200 1.952 1.00 0.00 C ATOM 311 O LYS A 22 0.232 -5.760 3.070 1.00 0.00 O ATOM 312 CB LYS A 22 2.278 -5.374 1.110 1.00 0.00 C ATOM 313 CG LYS A 22 3.049 -6.688 0.969 1.00 0.00 C ATOM 314 CD LYS A 22 2.761 -7.582 2.178 1.00 0.00 C ATOM 315 CE LYS A 22 4.081 -8.021 2.817 1.00 0.00 C ATOM 316 NZ LYS A 22 4.024 -7.500 4.212 1.00 0.00 N ATOM 0 H LYS A 22 -0.203 -3.750 1.137 1.00 0.00 H new ATOM 0 HA LYS A 22 0.675 -6.311 -0.062 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.706 -4.617 0.453 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.364 -4.998 2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.757 -7.196 0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.118 -6.489 0.897 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.154 -7.043 2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.187 -8.455 1.869 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.184 -9.106 2.804 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.936 -7.613 2.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.608 -8.098 4.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.384 -6.525 4.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.040 -7.513 4.547 1.00 0.00 H new ATOM 330 N ARG A 23 -0.734 -7.218 1.715 1.00 0.00 N ATOM 331 CA ARG A 23 -1.487 -7.883 2.818 1.00 0.00 C ATOM 332 C ARG A 23 -0.542 -8.795 3.606 1.00 0.00 C ATOM 333 O ARG A 23 0.630 -8.899 3.302 1.00 0.00 O ATOM 334 CB ARG A 23 -2.575 -8.709 2.111 1.00 0.00 C ATOM 335 CG ARG A 23 -2.028 -10.080 1.686 1.00 0.00 C ATOM 336 CD ARG A 23 -2.547 -11.154 2.644 1.00 0.00 C ATOM 337 NE ARG A 23 -3.813 -11.637 2.027 1.00 0.00 N ATOM 338 CZ ARG A 23 -4.660 -12.325 2.738 1.00 0.00 C ATOM 339 NH1 ARG A 23 -4.423 -13.581 3.001 1.00 0.00 N ATOM 340 NH2 ARG A 23 -5.746 -11.757 3.187 1.00 0.00 N ATOM 0 H ARG A 23 -0.894 -7.617 0.790 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.915 -7.173 3.526 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.427 -8.843 2.777 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.937 -8.169 1.236 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.338 -10.307 0.666 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.938 -10.067 1.693 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.827 -11.965 2.756 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.723 -10.745 3.639 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.017 -11.429 1.049 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.574 -14.024 2.650 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.087 -14.119 3.558 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.931 -10.775 2.981 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.410 -12.295 3.744 1.00 0.00 H new ATOM 354 N ARG A 24 -1.038 -9.463 4.606 1.00 0.00 N ATOM 355 CA ARG A 24 -0.154 -10.372 5.391 1.00 0.00 C ATOM 356 C ARG A 24 -0.205 -11.783 4.799 1.00 0.00 C ATOM 357 O ARG A 24 -0.583 -12.732 5.458 1.00 0.00 O ATOM 358 CB ARG A 24 -0.719 -10.355 6.809 1.00 0.00 C ATOM 359 CG ARG A 24 0.084 -9.369 7.659 1.00 0.00 C ATOM 360 CD ARG A 24 -0.685 -9.050 8.943 1.00 0.00 C ATOM 361 NE ARG A 24 0.246 -9.421 10.043 1.00 0.00 N ATOM 362 CZ ARG A 24 0.446 -10.679 10.328 1.00 0.00 C ATOM 363 NH1 ARG A 24 -0.328 -11.282 11.187 1.00 0.00 N ATOM 364 NH2 ARG A 24 1.422 -11.330 9.756 1.00 0.00 N ATOM 0 H ARG A 24 -2.009 -9.422 4.914 1.00 0.00 H new ATOM 0 HA ARG A 24 0.889 -10.057 5.374 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.770 -10.066 6.791 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.670 -11.353 7.245 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.058 -9.793 7.903 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.267 -8.454 7.096 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.955 -7.995 8.991 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.613 -9.619 9.001 1.00 0.00 H new ATOM 0 HE ARG A 24 0.727 -8.694 10.573 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.088 -10.771 11.635 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.173 -12.265 11.411 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.028 -10.856 9.087 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.579 -12.313 9.978 1.00 0.00 H new ATOM 378 N GLY A 25 0.165 -11.926 3.554 1.00 0.00 N ATOM 379 CA GLY A 25 0.133 -13.272 2.913 1.00 0.00 C ATOM 380 C GLY A 25 0.485 -13.143 1.429 1.00 0.00 C ATOM 381 O GLY A 25 1.610 -13.366 1.027 1.00 0.00 O ATOM 0 H GLY A 25 0.488 -11.168 2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.839 -13.938 3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.856 -13.716 3.025 1.00 0.00 H new ATOM 385 N THR A 26 -0.469 -12.786 0.610 1.00 0.00 N ATOM 386 CA THR A 26 -0.189 -12.647 -0.849 1.00 0.00 C ATOM 387 C THR A 26 -0.951 -11.452 -1.429 1.00 0.00 C ATOM 388 O THR A 26 -1.846 -11.607 -2.237 1.00 0.00 O ATOM 389 CB THR A 26 -0.688 -13.949 -1.475 1.00 0.00 C ATOM 390 OG1 THR A 26 -0.797 -13.786 -2.881 1.00 0.00 O ATOM 391 CG2 THR A 26 -2.059 -14.306 -0.895 1.00 0.00 C ATOM 0 H THR A 26 -1.429 -12.585 0.888 1.00 0.00 H new ATOM 0 HA THR A 26 0.869 -12.475 -1.047 1.00 0.00 H new ATOM 0 HB THR A 26 0.017 -14.750 -1.254 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.525 -13.162 -3.082 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.413 -15.235 -1.343 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.976 -14.432 0.184 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.766 -13.506 -1.113 1.00 0.00 H new ATOM 399 N ASN A 27 -0.599 -10.261 -1.030 1.00 0.00 N ATOM 400 CA ASN A 27 -1.301 -9.055 -1.562 1.00 0.00 C ATOM 401 C ASN A 27 -2.793 -9.119 -1.233 1.00 0.00 C ATOM 402 O ASN A 27 -3.412 -10.163 -1.295 1.00 0.00 O ATOM 403 CB ASN A 27 -1.112 -9.087 -3.079 1.00 0.00 C ATOM 404 CG ASN A 27 0.209 -9.772 -3.453 1.00 0.00 C ATOM 405 OD1 ASN A 27 1.279 -9.539 -2.745 1.00 0.00 O flip ATOM 406 ND2 ASN A 27 0.264 -10.528 -4.403 1.00 0.00 N flip ATOM 0 H ASN A 27 0.144 -10.069 -0.358 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.900 -8.142 -1.121 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.945 -9.617 -3.542 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.123 -8.070 -3.472 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.572 -10.711 -4.958 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.146 -10.979 -4.645 1.00 0.00 H new ATOM 413 N ALA A 28 -3.378 -8.008 -0.891 1.00 0.00 N ATOM 414 CA ALA A 28 -4.830 -7.997 -0.564 1.00 0.00 C ATOM 415 C ALA A 28 -5.237 -6.624 -0.040 1.00 0.00 C ATOM 416 O ALA A 28 -5.974 -5.903 -0.681 1.00 0.00 O ATOM 417 CB ALA A 28 -5.019 -9.064 0.514 1.00 0.00 C ATOM 0 H ALA A 28 -2.912 -7.103 -0.823 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.447 -8.203 -1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.069 -9.109 0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.708 -10.033 0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.415 -8.812 1.385 1.00 0.00 H new ATOM 423 N GLU A 29 -4.762 -6.251 1.118 1.00 0.00 N ATOM 424 CA GLU A 29 -5.137 -4.914 1.665 1.00 0.00 C ATOM 425 C GLU A 29 -4.649 -4.711 3.107 1.00 0.00 C ATOM 426 O GLU A 29 -5.438 -4.439 3.991 1.00 0.00 O ATOM 427 CB GLU A 29 -6.666 -4.887 1.633 1.00 0.00 C ATOM 428 CG GLU A 29 -7.218 -6.244 2.085 1.00 0.00 C ATOM 429 CD GLU A 29 -8.388 -6.028 3.046 1.00 0.00 C ATOM 430 OE1 GLU A 29 -8.199 -5.336 4.032 1.00 0.00 O ATOM 431 OE2 GLU A 29 -9.453 -6.560 2.780 1.00 0.00 O ATOM 0 H GLU A 29 -4.138 -6.806 1.703 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.678 -4.119 1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.039 -4.097 2.285 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.014 -4.660 0.625 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.546 -6.821 1.220 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.434 -6.822 2.575 1.00 0.00 H new ATOM 438 N LYS A 30 -3.370 -4.792 3.362 1.00 0.00 N ATOM 439 CA LYS A 30 -2.898 -4.544 4.758 1.00 0.00 C ATOM 440 C LYS A 30 -2.273 -3.157 4.850 1.00 0.00 C ATOM 441 O LYS A 30 -2.918 -2.193 5.205 1.00 0.00 O ATOM 442 CB LYS A 30 -1.857 -5.596 5.087 1.00 0.00 C ATOM 443 CG LYS A 30 -2.531 -6.834 5.694 1.00 0.00 C ATOM 444 CD LYS A 30 -3.868 -7.122 4.996 1.00 0.00 C ATOM 445 CE LYS A 30 -4.510 -8.361 5.622 1.00 0.00 C ATOM 446 NZ LYS A 30 -5.911 -7.957 5.927 1.00 0.00 N ATOM 0 H LYS A 30 -2.644 -5.014 2.681 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.731 -4.598 5.459 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.313 -5.875 4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.127 -5.190 5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.872 -7.697 5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.698 -6.677 6.760 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.534 -6.265 5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.708 -7.281 3.930 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.484 -9.208 4.936 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.982 -8.666 6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.416 -8.756 6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.905 -7.153 6.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.391 -7.679 5.048 1.00 0.00 H new ATOM 460 N ARG A 31 -1.015 -3.057 4.522 1.00 0.00 N ATOM 461 CA ARG A 31 -0.332 -1.736 4.577 1.00 0.00 C ATOM 462 C ARG A 31 0.359 -1.457 3.242 1.00 0.00 C ATOM 463 O ARG A 31 0.873 -2.353 2.606 1.00 0.00 O ATOM 464 CB ARG A 31 0.703 -1.873 5.696 1.00 0.00 C ATOM 465 CG ARG A 31 0.100 -1.385 7.014 1.00 0.00 C ATOM 466 CD ARG A 31 0.998 -0.302 7.615 1.00 0.00 C ATOM 467 NE ARG A 31 0.068 0.598 8.351 1.00 0.00 N ATOM 468 CZ ARG A 31 -0.641 0.129 9.340 1.00 0.00 C ATOM 469 NH1 ARG A 31 -0.052 -0.484 10.330 1.00 0.00 N ATOM 470 NH2 ARG A 31 -1.939 0.274 9.338 1.00 0.00 N ATOM 0 H ARG A 31 -0.430 -3.835 4.218 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.024 -0.914 4.762 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.016 -2.913 5.790 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.594 -1.293 5.455 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.901 -0.989 6.844 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.000 -2.217 7.711 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.744 -0.732 8.283 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.540 0.238 6.839 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.014 1.579 8.082 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.962 -0.596 10.330 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.605 -0.851 11.104 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.397 0.754 8.563 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.494 -0.093 10.111 1.00 0.00 H new ATOM 484 N CYS A 32 0.372 -0.227 2.811 1.00 0.00 N ATOM 485 CA CYS A 32 1.041 0.091 1.512 1.00 0.00 C ATOM 486 C CYS A 32 2.546 -0.146 1.629 1.00 0.00 C ATOM 487 O CYS A 32 3.134 0.089 2.664 1.00 0.00 O ATOM 488 CB CYS A 32 0.768 1.571 1.253 1.00 0.00 C ATOM 489 SG CYS A 32 -1.006 1.839 1.056 1.00 0.00 S ATOM 0 H CYS A 32 -0.047 0.568 3.294 1.00 0.00 H new ATOM 0 HA CYS A 32 0.667 -0.536 0.703 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.146 2.170 2.081 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.296 1.896 0.357 1.00 0.00 H new ATOM 494 N ARG A 33 3.179 -0.611 0.582 1.00 0.00 N ATOM 495 CA ARG A 33 4.655 -0.855 0.650 1.00 0.00 C ATOM 496 C ARG A 33 5.258 -0.793 -0.755 1.00 0.00 C ATOM 497 O ARG A 33 6.472 -0.709 -0.855 1.00 0.00 O ATOM 498 CB ARG A 33 4.818 -2.265 1.233 1.00 0.00 C ATOM 499 CG ARG A 33 3.902 -2.445 2.447 1.00 0.00 C ATOM 500 CD ARG A 33 4.139 -3.820 3.074 1.00 0.00 C ATOM 501 NE ARG A 33 2.983 -4.031 3.994 1.00 0.00 N ATOM 502 CZ ARG A 33 3.179 -4.560 5.170 1.00 0.00 C ATOM 503 NH1 ARG A 33 4.017 -4.008 6.002 1.00 0.00 N ATOM 504 NH2 ARG A 33 2.537 -5.642 5.513 1.00 0.00 N ATOM 505 OXT ARG A 33 4.497 -0.835 -1.708 1.00 0.00 O ATOM 0 H ARG A 33 2.742 -0.832 -0.313 1.00 0.00 H new ATOM 0 HA ARG A 33 5.162 -0.107 1.260 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.579 -3.010 0.474 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.856 -2.428 1.524 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.096 -1.662 3.180 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.859 -2.347 2.145 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.184 -4.598 2.312 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.085 -3.849 3.616 1.00 0.00 H new ATOM 0 HE ARG A 33 2.043 -3.762 3.704 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.520 -3.162 5.733 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.170 -4.422 6.922 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.882 -6.074 4.862 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.690 -6.056 6.433 1.00 0.00 H new TER 519 ARG A 33