USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=3 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= -2.19! C(o=-4.2!,f=-2.2!) 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= -0.75 X(o=-0.75,f=-0.73) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc=-0.00213 USER MOD Single : A 27 ASN : amide:sc= -3.94! C(o=-3.9!,f=-12!) USER MOD Single : A 30 LYS NZ :NH3+ -128:sc=-0.00105 (180deg=-0.065) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.982 12.790 -8.173 1.00 0.00 N ATOM 2 CA GLY A 1 -7.488 12.072 -6.967 1.00 0.00 C ATOM 3 C GLY A 1 -6.476 12.205 -5.828 1.00 0.00 C ATOM 4 O GLY A 1 -6.044 13.290 -5.493 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.671 12.698 -8.946 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.847 13.796 -7.947 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.074 12.377 -8.468 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.450 12.485 -6.662 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.652 11.020 -7.200 1.00 0.00 H new ATOM 10 N ASP A 2 -6.094 11.110 -5.227 1.00 0.00 N ATOM 11 CA ASP A 2 -5.110 11.179 -4.108 1.00 0.00 C ATOM 12 C ASP A 2 -4.789 9.774 -3.590 1.00 0.00 C ATOM 13 O ASP A 2 -5.520 9.211 -2.802 1.00 0.00 O ATOM 14 CB ASP A 2 -5.804 12.001 -3.022 1.00 0.00 C ATOM 15 CG ASP A 2 -4.877 12.132 -1.812 1.00 0.00 C ATOM 16 OD1 ASP A 2 -3.747 12.551 -1.999 1.00 0.00 O ATOM 17 OD2 ASP A 2 -5.313 11.810 -0.719 1.00 0.00 O ATOM 0 H ASP A 2 -6.420 10.172 -5.462 1.00 0.00 H new ATOM 0 HA ASP A 2 -4.165 11.624 -4.420 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -6.060 12.988 -3.406 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.738 11.521 -2.728 1.00 0.00 H new ATOM 22 N CYS A 3 -3.697 9.206 -4.023 1.00 0.00 N ATOM 23 CA CYS A 3 -3.332 7.838 -3.549 1.00 0.00 C ATOM 24 C CYS A 3 -2.854 7.888 -2.094 1.00 0.00 C ATOM 25 O CYS A 3 -2.688 8.947 -1.521 1.00 0.00 O ATOM 26 CB CYS A 3 -2.200 7.374 -4.465 1.00 0.00 C ATOM 27 SG CYS A 3 -0.876 8.608 -4.476 1.00 0.00 S ATOM 0 H CYS A 3 -3.043 9.627 -4.682 1.00 0.00 H new ATOM 0 HA CYS A 3 -4.183 7.158 -3.583 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.813 6.415 -4.122 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.577 7.223 -5.476 1.00 0.00 H new ATOM 32 N LEU A 4 -2.633 6.750 -1.495 1.00 0.00 N ATOM 33 CA LEU A 4 -2.167 6.726 -0.077 1.00 0.00 C ATOM 34 C LEU A 4 -0.645 6.540 -0.026 1.00 0.00 C ATOM 35 O LEU A 4 -0.033 6.177 -1.003 1.00 0.00 O ATOM 36 CB LEU A 4 -2.884 5.525 0.544 1.00 0.00 C ATOM 37 CG LEU A 4 -4.396 5.743 0.470 1.00 0.00 C ATOM 38 CD1 LEU A 4 -5.095 4.404 0.254 1.00 0.00 C ATOM 39 CD2 LEU A 4 -4.890 6.359 1.778 1.00 0.00 C ATOM 0 H LEU A 4 -2.755 5.834 -1.926 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.387 7.652 0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.611 4.611 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.574 5.399 1.581 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.621 6.414 -0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.172 4.560 0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.747 3.958 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.865 3.736 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.968 6.514 1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.661 5.688 2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.394 7.316 1.940 1.00 0.00 H new ATOM 51 N PRO A 5 -0.084 6.802 1.119 1.00 0.00 N ATOM 52 CA PRO A 5 1.389 6.668 1.307 1.00 0.00 C ATOM 53 C PRO A 5 1.816 5.201 1.200 1.00 0.00 C ATOM 54 O PRO A 5 1.001 4.303 1.264 1.00 0.00 O ATOM 55 CB PRO A 5 1.604 7.181 2.728 1.00 0.00 C ATOM 56 CG PRO A 5 0.286 6.965 3.393 1.00 0.00 C ATOM 57 CD PRO A 5 -0.750 7.239 2.347 1.00 0.00 C ATOM 0 HA PRO A 5 1.968 7.209 0.558 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.400 6.635 3.233 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.886 8.234 2.734 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.201 5.946 3.770 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.165 7.632 4.247 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -1.669 6.682 2.530 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.019 8.295 2.309 1.00 0.00 H new ATOM 65 N HIS A 6 3.091 4.947 1.047 1.00 0.00 N ATOM 66 CA HIS A 6 3.558 3.550 0.949 1.00 0.00 C ATOM 67 C HIS A 6 3.851 2.993 2.346 1.00 0.00 C ATOM 68 O HIS A 6 4.722 2.175 2.542 1.00 0.00 O ATOM 69 CB HIS A 6 4.813 3.596 0.058 1.00 0.00 C ATOM 70 CG HIS A 6 6.058 3.768 0.890 1.00 0.00 C ATOM 71 ND1 HIS A 6 6.867 2.860 1.522 1.00 0.00 N flip ATOM 72 CD2 HIS A 6 6.614 5.010 1.145 1.00 0.00 C flip ATOM 73 CE1 HIS A 6 7.909 3.520 2.159 1.00 0.00 C flip ATOM 74 NE2 HIS A 6 7.709 4.813 1.901 1.00 0.00 N flip ATOM 0 H HIS A 6 3.823 5.655 0.987 1.00 0.00 H new ATOM 0 HA HIS A 6 2.810 2.886 0.516 1.00 0.00 H new ATOM 0 HB2 HIS A 6 4.884 2.677 -0.524 1.00 0.00 H new ATOM 0 HB3 HIS A 6 4.729 4.418 -0.653 1.00 0.00 H new ATOM 0 HD2 HIS A 6 6.238 5.962 0.800 1.00 0.00 H new ATOM 0 HE1 HIS A 6 8.708 3.081 2.738 1.00 0.00 H new ATOM 0 HE2 HIS A 6 8.314 5.563 2.237 1.00 0.00 H new ATOM 82 N LEU A 7 3.105 3.428 3.310 1.00 0.00 N ATOM 83 CA LEU A 7 3.299 2.951 4.692 1.00 0.00 C ATOM 84 C LEU A 7 2.038 3.207 5.522 1.00 0.00 C ATOM 85 O LEU A 7 2.091 3.774 6.596 1.00 0.00 O ATOM 86 CB LEU A 7 4.479 3.759 5.226 1.00 0.00 C ATOM 87 CG LEU A 7 5.477 2.820 5.901 1.00 0.00 C ATOM 88 CD1 LEU A 7 4.791 2.094 7.059 1.00 0.00 C ATOM 89 CD2 LEU A 7 5.982 1.794 4.884 1.00 0.00 C ATOM 0 H LEU A 7 2.354 4.108 3.194 1.00 0.00 H new ATOM 0 HA LEU A 7 3.490 1.879 4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.964 4.297 4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.129 4.507 5.937 1.00 0.00 H new ATOM 0 HG LEU A 7 6.319 3.398 6.282 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.503 1.424 7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.432 2.824 7.784 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.949 1.516 6.678 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.694 1.124 5.366 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.141 1.216 4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.471 2.311 4.058 1.00 0.00 H new ATOM 101 N LYS A 8 0.903 2.792 5.029 1.00 0.00 N ATOM 102 CA LYS A 8 -0.365 3.006 5.783 1.00 0.00 C ATOM 103 C LYS A 8 -1.413 1.984 5.340 1.00 0.00 C ATOM 104 O LYS A 8 -1.603 1.745 4.163 1.00 0.00 O ATOM 105 CB LYS A 8 -0.814 4.421 5.419 1.00 0.00 C ATOM 106 CG LYS A 8 -2.218 4.669 5.973 1.00 0.00 C ATOM 107 CD LYS A 8 -2.330 6.118 6.450 1.00 0.00 C ATOM 108 CE LYS A 8 -2.388 7.051 5.239 1.00 0.00 C ATOM 109 NZ LYS A 8 -3.776 7.589 5.234 1.00 0.00 N ATOM 0 H LYS A 8 0.799 2.313 4.135 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.231 2.887 6.858 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.116 5.152 5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.811 4.548 4.336 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.964 4.469 5.204 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.420 3.987 6.798 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.224 6.243 7.062 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.476 6.372 7.078 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.654 7.853 5.323 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.169 6.514 4.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.894 8.239 4.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.452 6.804 5.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.953 8.101 6.122 1.00 0.00 H new ATOM 123 N ARG A 9 -2.094 1.378 6.269 1.00 0.00 N ATOM 124 CA ARG A 9 -3.126 0.371 5.897 1.00 0.00 C ATOM 125 C ARG A 9 -3.990 0.898 4.748 1.00 0.00 C ATOM 126 O ARG A 9 -4.364 2.054 4.721 1.00 0.00 O ATOM 127 CB ARG A 9 -3.964 0.180 7.160 1.00 0.00 C ATOM 128 CG ARG A 9 -4.469 -1.262 7.226 1.00 0.00 C ATOM 129 CD ARG A 9 -5.652 -1.430 6.271 1.00 0.00 C ATOM 130 NE ARG A 9 -5.591 -2.851 5.830 1.00 0.00 N ATOM 131 CZ ARG A 9 -6.616 -3.636 6.018 1.00 0.00 C ATOM 132 NH1 ARG A 9 -7.764 -3.351 5.466 1.00 0.00 N ATOM 133 NH2 ARG A 9 -6.492 -4.707 6.753 1.00 0.00 N ATOM 0 H ARG A 9 -1.982 1.536 7.270 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.687 -0.566 5.556 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.367 0.408 8.043 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.807 0.872 7.158 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.669 -1.952 6.957 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.772 -1.507 8.244 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.596 -1.212 6.770 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.575 -0.750 5.423 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.748 -3.210 5.381 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.859 -2.516 4.889 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.566 -3.964 5.612 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.593 -4.931 7.181 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.294 -5.320 6.900 1.00 0.00 H new ATOM 147 N CYS A 10 -4.309 0.060 3.797 1.00 0.00 N ATOM 148 CA CYS A 10 -5.145 0.520 2.651 1.00 0.00 C ATOM 149 C CYS A 10 -6.413 -0.328 2.532 1.00 0.00 C ATOM 150 O CYS A 10 -6.463 -1.458 2.978 1.00 0.00 O ATOM 151 CB CYS A 10 -4.263 0.348 1.414 1.00 0.00 C ATOM 152 SG CYS A 10 -4.075 -1.411 1.022 1.00 0.00 S ATOM 0 H CYS A 10 -4.028 -0.920 3.765 1.00 0.00 H new ATOM 0 HA CYS A 10 -5.472 1.552 2.776 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.705 0.872 0.567 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.285 0.796 1.590 1.00 0.00 H new ATOM 157 N LYS A 11 -7.436 0.213 1.932 1.00 0.00 N ATOM 158 CA LYS A 11 -8.706 -0.552 1.777 1.00 0.00 C ATOM 159 C LYS A 11 -8.681 -1.341 0.465 1.00 0.00 C ATOM 160 O LYS A 11 -9.526 -2.179 0.216 1.00 0.00 O ATOM 161 CB LYS A 11 -9.805 0.509 1.744 1.00 0.00 C ATOM 162 CG LYS A 11 -9.899 1.193 3.110 1.00 0.00 C ATOM 163 CD LYS A 11 -11.245 0.858 3.756 1.00 0.00 C ATOM 164 CE LYS A 11 -11.118 0.947 5.279 1.00 0.00 C ATOM 165 NZ LYS A 11 -11.986 -0.145 5.801 1.00 0.00 N ATOM 0 H LYS A 11 -7.448 1.155 1.541 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.861 -1.271 2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.590 1.246 0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.760 0.050 1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.083 0.861 3.752 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.797 2.272 2.996 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.011 1.549 3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.561 -0.144 3.465 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.084 0.816 5.597 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.444 1.920 5.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.952 -0.149 6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.965 0.010 5.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.648 -1.060 5.440 1.00 0.00 H new ATOM 179 N ALA A 12 -7.718 -1.076 -0.374 1.00 0.00 N ATOM 180 CA ALA A 12 -7.633 -1.805 -1.671 1.00 0.00 C ATOM 181 C ALA A 12 -6.205 -1.750 -2.215 1.00 0.00 C ATOM 182 O ALA A 12 -5.418 -0.907 -1.836 1.00 0.00 O ATOM 183 CB ALA A 12 -8.594 -1.069 -2.605 1.00 0.00 C ATOM 0 H ALA A 12 -6.985 -0.385 -0.217 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.893 -2.859 -1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.588 -1.548 -3.584 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.602 -1.103 -2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.279 -0.031 -2.707 1.00 0.00 H new ATOM 189 N ASP A 13 -5.863 -2.649 -3.094 1.00 0.00 N ATOM 190 CA ASP A 13 -4.488 -2.652 -3.656 1.00 0.00 C ATOM 191 C ASP A 13 -4.207 -1.337 -4.392 1.00 0.00 C ATOM 192 O ASP A 13 -3.101 -0.834 -4.379 1.00 0.00 O ATOM 193 CB ASP A 13 -4.453 -3.832 -4.630 1.00 0.00 C ATOM 194 CG ASP A 13 -5.082 -5.062 -3.973 1.00 0.00 C ATOM 195 OD1 ASP A 13 -6.249 -4.992 -3.624 1.00 0.00 O ATOM 196 OD2 ASP A 13 -4.386 -6.054 -3.830 1.00 0.00 O ATOM 0 H ASP A 13 -6.478 -3.382 -3.447 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.730 -2.746 -2.878 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.993 -3.579 -5.542 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.424 -4.048 -4.918 1.00 0.00 H new ATOM 201 N ASN A 14 -5.196 -0.780 -5.037 1.00 0.00 N ATOM 202 CA ASN A 14 -4.976 0.499 -5.775 1.00 0.00 C ATOM 203 C ASN A 14 -5.253 1.705 -4.871 1.00 0.00 C ATOM 204 O ASN A 14 -5.788 2.706 -5.303 1.00 0.00 O ATOM 205 CB ASN A 14 -5.966 0.463 -6.940 1.00 0.00 C ATOM 206 CG ASN A 14 -5.757 1.696 -7.819 1.00 0.00 C ATOM 207 OD1 ASN A 14 -4.689 1.896 -8.362 1.00 0.00 O ATOM 208 ND2 ASN A 14 -6.739 2.539 -7.983 1.00 0.00 N ATOM 0 H ASN A 14 -6.144 -1.153 -5.086 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.945 0.598 -6.116 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.822 -0.444 -7.526 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.988 0.440 -6.563 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.610 3.365 -8.567 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.636 2.372 -7.527 1.00 0.00 H new ATOM 215 N ASP A 15 -4.887 1.620 -3.622 1.00 0.00 N ATOM 216 CA ASP A 15 -5.121 2.765 -2.696 1.00 0.00 C ATOM 217 C ASP A 15 -3.790 3.427 -2.327 1.00 0.00 C ATOM 218 O ASP A 15 -3.738 4.567 -1.912 1.00 0.00 O ATOM 219 CB ASP A 15 -5.788 2.149 -1.476 1.00 0.00 C ATOM 220 CG ASP A 15 -7.147 2.811 -1.239 1.00 0.00 C ATOM 221 OD1 ASP A 15 -7.639 3.454 -2.152 1.00 0.00 O ATOM 222 OD2 ASP A 15 -7.673 2.666 -0.147 1.00 0.00 O ATOM 0 H ASP A 15 -4.436 0.807 -3.202 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.739 3.545 -3.140 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.916 1.077 -1.623 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.153 2.277 -0.599 1.00 0.00 H new ATOM 227 N CYS A 16 -2.712 2.714 -2.484 1.00 0.00 N ATOM 228 CA CYS A 16 -1.370 3.278 -2.154 1.00 0.00 C ATOM 229 C CYS A 16 -0.851 4.141 -3.306 1.00 0.00 C ATOM 230 O CYS A 16 -1.305 4.037 -4.429 1.00 0.00 O ATOM 231 CB CYS A 16 -0.479 2.051 -2.002 1.00 0.00 C ATOM 232 SG CYS A 16 -1.249 0.894 -0.846 1.00 0.00 S ATOM 0 H CYS A 16 -2.700 1.755 -2.830 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.395 3.908 -1.265 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.332 1.572 -2.970 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.506 2.345 -1.639 1.00 0.00 H new ATOM 237 N CYS A 17 0.117 4.970 -3.040 1.00 0.00 N ATOM 238 CA CYS A 17 0.693 5.815 -4.118 1.00 0.00 C ATOM 239 C CYS A 17 1.675 4.978 -4.932 1.00 0.00 C ATOM 240 O CYS A 17 2.099 5.365 -6.004 1.00 0.00 O ATOM 241 CB CYS A 17 1.418 6.953 -3.403 1.00 0.00 C ATOM 242 SG CYS A 17 0.217 8.180 -2.832 1.00 0.00 S ATOM 0 H CYS A 17 0.535 5.099 -2.119 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.064 6.200 -4.801 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.983 6.562 -2.557 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.136 7.420 -4.077 1.00 0.00 H new ATOM 247 N GLY A 18 2.031 3.819 -4.438 1.00 0.00 N ATOM 248 CA GLY A 18 2.969 2.952 -5.196 1.00 0.00 C ATOM 249 C GLY A 18 2.154 1.932 -5.988 1.00 0.00 C ATOM 250 O GLY A 18 2.691 1.129 -6.724 1.00 0.00 O ATOM 0 H GLY A 18 1.712 3.441 -3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.580 3.553 -5.869 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.651 2.444 -4.514 1.00 0.00 H new ATOM 254 N LYS A 19 0.855 1.953 -5.832 1.00 0.00 N ATOM 255 CA LYS A 19 0.001 0.980 -6.566 1.00 0.00 C ATOM 256 C LYS A 19 0.353 -0.433 -6.115 1.00 0.00 C ATOM 257 O LYS A 19 0.095 -1.402 -6.802 1.00 0.00 O ATOM 258 CB LYS A 19 0.339 1.177 -8.046 1.00 0.00 C ATOM 259 CG LYS A 19 -0.774 1.980 -8.721 1.00 0.00 C ATOM 260 CD LYS A 19 -0.340 2.363 -10.138 1.00 0.00 C ATOM 261 CE LYS A 19 -1.261 1.685 -11.155 1.00 0.00 C ATOM 262 NZ LYS A 19 -0.563 1.835 -12.463 1.00 0.00 N ATOM 0 H LYS A 19 0.352 2.603 -5.228 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.063 1.130 -6.382 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.291 1.699 -8.146 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.453 0.210 -8.536 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.691 1.392 -8.757 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.993 2.877 -8.141 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.379 3.445 -10.261 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.693 2.059 -10.308 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.417 0.635 -10.908 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.243 2.157 -11.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.133 1.394 -13.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.434 2.845 -12.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.366 1.370 -12.416 1.00 0.00 H new ATOM 276 N LYS A 20 0.944 -0.554 -4.960 1.00 0.00 N ATOM 277 CA LYS A 20 1.320 -1.897 -4.454 1.00 0.00 C ATOM 278 C LYS A 20 1.127 -1.969 -2.936 1.00 0.00 C ATOM 279 O LYS A 20 2.035 -1.708 -2.158 1.00 0.00 O ATOM 280 CB LYS A 20 2.794 -2.061 -4.833 1.00 0.00 C ATOM 281 CG LYS A 20 2.910 -2.186 -6.355 1.00 0.00 C ATOM 282 CD LYS A 20 4.299 -2.709 -6.725 1.00 0.00 C ATOM 283 CE LYS A 20 4.210 -3.529 -8.016 1.00 0.00 C ATOM 284 NZ LYS A 20 5.178 -2.887 -8.951 1.00 0.00 N ATOM 0 H LYS A 20 1.182 0.224 -4.345 1.00 0.00 H new ATOM 0 HA LYS A 20 0.704 -2.690 -4.879 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.370 -1.205 -4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.210 -2.945 -4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.144 -2.862 -6.733 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.739 -1.217 -6.823 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.989 -1.876 -6.858 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.694 -3.325 -5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.467 -4.573 -7.838 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.199 -3.514 -8.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.173 -3.395 -9.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.905 -1.896 -9.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.133 -2.922 -8.540 1.00 0.00 H new ATOM 298 N CYS A 21 -0.050 -2.335 -2.506 1.00 0.00 N ATOM 299 CA CYS A 21 -0.300 -2.446 -1.047 1.00 0.00 C ATOM 300 C CYS A 21 0.018 -3.883 -0.608 1.00 0.00 C ATOM 301 O CYS A 21 -0.477 -4.831 -1.186 1.00 0.00 O ATOM 302 CB CYS A 21 -1.787 -2.150 -0.854 1.00 0.00 C ATOM 303 SG CYS A 21 -2.076 -1.676 0.874 1.00 0.00 S ATOM 0 H CYS A 21 -0.846 -2.561 -3.103 1.00 0.00 H new ATOM 0 HA CYS A 21 0.313 -1.761 -0.461 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.101 -1.348 -1.522 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.382 -3.027 -1.108 1.00 0.00 H new ATOM 308 N LYS A 22 0.842 -4.067 0.384 1.00 0.00 N ATOM 309 CA LYS A 22 1.180 -5.459 0.811 1.00 0.00 C ATOM 310 C LYS A 22 0.136 -6.010 1.787 1.00 0.00 C ATOM 311 O LYS A 22 -0.193 -5.390 2.775 1.00 0.00 O ATOM 312 CB LYS A 22 2.538 -5.346 1.498 1.00 0.00 C ATOM 313 CG LYS A 22 3.648 -5.386 0.446 1.00 0.00 C ATOM 314 CD LYS A 22 4.002 -6.841 0.134 1.00 0.00 C ATOM 315 CE LYS A 22 5.183 -6.885 -0.839 1.00 0.00 C ATOM 316 NZ LYS A 22 4.566 -6.935 -2.193 1.00 0.00 N ATOM 0 H LYS A 22 1.294 -3.323 0.916 1.00 0.00 H new ATOM 0 HA LYS A 22 1.199 -6.143 -0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.594 -4.417 2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.667 -6.162 2.209 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.322 -4.877 -0.461 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.528 -4.856 0.810 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.255 -7.369 1.053 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.141 -7.350 -0.300 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.819 -6.007 -0.727 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.810 -7.758 -0.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.314 -6.967 -2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.972 -7.785 -2.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.980 -6.088 -2.339 1.00 0.00 H new ATOM 330 N ARG A 23 -0.379 -7.179 1.515 1.00 0.00 N ATOM 331 CA ARG A 23 -1.394 -7.788 2.420 1.00 0.00 C ATOM 332 C ARG A 23 -0.725 -8.848 3.304 1.00 0.00 C ATOM 333 O ARG A 23 0.451 -9.126 3.169 1.00 0.00 O ATOM 334 CB ARG A 23 -2.473 -8.445 1.531 1.00 0.00 C ATOM 335 CG ARG A 23 -2.270 -8.126 0.040 1.00 0.00 C ATOM 336 CD ARG A 23 -1.430 -9.226 -0.599 1.00 0.00 C ATOM 337 NE ARG A 23 -2.228 -10.462 -0.387 1.00 0.00 N ATOM 338 CZ ARG A 23 -1.693 -11.629 -0.621 1.00 0.00 C ATOM 339 NH1 ARG A 23 -0.825 -12.128 0.214 1.00 0.00 N ATOM 340 NH2 ARG A 23 -2.023 -12.295 -1.694 1.00 0.00 N ATOM 0 H ARG A 23 -0.138 -7.741 0.699 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.841 -7.033 3.067 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.452 -9.525 1.676 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.459 -8.100 1.844 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.234 -8.050 -0.462 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.775 -7.162 -0.074 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.264 -9.036 -1.659 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.448 -9.300 -0.131 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.192 -10.398 -0.059 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.564 -11.606 1.051 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.407 -13.040 0.031 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.699 -11.903 -2.350 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.605 -13.207 -1.877 1.00 0.00 H new ATOM 354 N ARG A 24 -1.459 -9.446 4.207 1.00 0.00 N ATOM 355 CA ARG A 24 -0.856 -10.485 5.087 1.00 0.00 C ATOM 356 C ARG A 24 -1.946 -11.335 5.736 1.00 0.00 C ATOM 357 O ARG A 24 -1.869 -11.680 6.898 1.00 0.00 O ATOM 358 CB ARG A 24 -0.074 -9.709 6.144 1.00 0.00 C ATOM 359 CG ARG A 24 1.378 -10.186 6.158 1.00 0.00 C ATOM 360 CD ARG A 24 2.168 -9.378 7.189 1.00 0.00 C ATOM 361 NE ARG A 24 2.292 -10.281 8.368 1.00 0.00 N ATOM 362 CZ ARG A 24 3.360 -11.014 8.520 1.00 0.00 C ATOM 363 NH1 ARG A 24 3.507 -12.105 7.818 1.00 0.00 N ATOM 364 NH2 ARG A 24 4.280 -10.659 9.375 1.00 0.00 N ATOM 0 H ARG A 24 -2.448 -9.258 4.371 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.216 -11.170 4.531 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.115 -8.641 5.930 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.525 -9.855 7.125 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.421 -11.248 6.401 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.821 -10.067 5.169 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.147 -9.095 6.803 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.649 -8.456 7.450 1.00 0.00 H new ATOM 0 HE ARG A 24 1.541 -10.326 9.057 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.787 -12.383 7.151 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.342 -12.679 7.936 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.164 -9.808 9.925 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.115 -11.233 9.493 1.00 0.00 H new ATOM 378 N GLY A 25 -2.957 -11.675 4.996 1.00 0.00 N ATOM 379 CA GLY A 25 -4.051 -12.506 5.574 1.00 0.00 C ATOM 380 C GLY A 25 -4.650 -13.386 4.479 1.00 0.00 C ATOM 381 O GLY A 25 -4.468 -14.587 4.461 1.00 0.00 O ATOM 0 H GLY A 25 -3.077 -11.416 4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.664 -13.126 6.383 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.821 -11.866 6.004 1.00 0.00 H new ATOM 385 N THR A 26 -5.356 -12.792 3.561 1.00 0.00 N ATOM 386 CA THR A 26 -5.967 -13.577 2.456 1.00 0.00 C ATOM 387 C THR A 26 -6.090 -12.697 1.214 1.00 0.00 C ATOM 388 O THR A 26 -7.159 -12.223 0.883 1.00 0.00 O ATOM 389 CB THR A 26 -7.350 -13.983 2.971 1.00 0.00 C ATOM 390 OG1 THR A 26 -8.063 -14.645 1.936 1.00 0.00 O ATOM 391 CG2 THR A 26 -8.121 -12.735 3.409 1.00 0.00 C ATOM 0 H THR A 26 -5.537 -11.789 3.529 1.00 0.00 H new ATOM 0 HA THR A 26 -5.372 -14.448 2.180 1.00 0.00 H new ATOM 0 HB THR A 26 -7.239 -14.654 3.822 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.948 -14.907 2.265 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.106 -13.026 3.775 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.573 -12.229 4.204 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.234 -12.061 2.560 1.00 0.00 H new ATOM 399 N ASN A 27 -5.004 -12.464 0.526 1.00 0.00 N ATOM 400 CA ASN A 27 -5.067 -11.606 -0.688 1.00 0.00 C ATOM 401 C ASN A 27 -5.522 -10.202 -0.304 1.00 0.00 C ATOM 402 O ASN A 27 -5.421 -9.795 0.836 1.00 0.00 O ATOM 403 CB ASN A 27 -6.106 -12.268 -1.591 1.00 0.00 C ATOM 404 CG ASN A 27 -5.854 -13.778 -1.656 1.00 0.00 C ATOM 405 OD1 ASN A 27 -5.758 -14.438 -0.641 1.00 0.00 O ATOM 406 ND2 ASN A 27 -5.747 -14.358 -2.820 1.00 0.00 N ATOM 0 H ASN A 27 -4.080 -12.830 0.753 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.099 -11.514 -1.181 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.108 -12.074 -1.210 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.057 -11.839 -2.592 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.583 -15.363 -2.876 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.827 -13.806 -3.674 1.00 0.00 H new ATOM 413 N ALA A 28 -6.030 -9.468 -1.251 1.00 0.00 N ATOM 414 CA ALA A 28 -6.515 -8.085 -0.967 1.00 0.00 C ATOM 415 C ALA A 28 -5.338 -7.133 -0.706 1.00 0.00 C ATOM 416 O ALA A 28 -4.530 -6.887 -1.579 1.00 0.00 O ATOM 417 CB ALA A 28 -7.415 -8.226 0.268 1.00 0.00 C ATOM 0 H ALA A 28 -6.132 -9.767 -2.221 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.057 -7.657 -1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.813 -7.249 0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.239 -8.903 0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.833 -8.627 1.098 1.00 0.00 H new ATOM 423 N GLU A 29 -5.237 -6.582 0.475 1.00 0.00 N ATOM 424 CA GLU A 29 -4.120 -5.639 0.766 1.00 0.00 C ATOM 425 C GLU A 29 -4.125 -5.268 2.248 1.00 0.00 C ATOM 426 O GLU A 29 -5.168 -5.080 2.841 1.00 0.00 O ATOM 427 CB GLU A 29 -4.407 -4.408 -0.097 1.00 0.00 C ATOM 428 CG GLU A 29 -5.746 -3.782 0.311 1.00 0.00 C ATOM 429 CD GLU A 29 -6.900 -4.643 -0.205 1.00 0.00 C ATOM 430 OE1 GLU A 29 -6.809 -5.112 -1.327 1.00 0.00 O ATOM 431 OE2 GLU A 29 -7.855 -4.819 0.533 1.00 0.00 O ATOM 0 H GLU A 29 -5.880 -6.745 1.250 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.143 -6.070 0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.605 -3.678 0.017 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.434 -4.690 -1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.802 -3.696 1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.824 -2.773 -0.093 1.00 0.00 H new ATOM 438 N LYS A 30 -2.975 -5.154 2.858 1.00 0.00 N ATOM 439 CA LYS A 30 -2.958 -4.789 4.300 1.00 0.00 C ATOM 440 C LYS A 30 -2.338 -3.407 4.505 1.00 0.00 C ATOM 441 O LYS A 30 -2.978 -2.503 4.998 1.00 0.00 O ATOM 442 CB LYS A 30 -2.142 -5.866 5.012 1.00 0.00 C ATOM 443 CG LYS A 30 -2.972 -7.150 5.112 1.00 0.00 C ATOM 444 CD LYS A 30 -4.330 -6.848 5.744 1.00 0.00 C ATOM 445 CE LYS A 30 -4.617 -7.861 6.855 1.00 0.00 C ATOM 446 NZ LYS A 30 -3.771 -7.431 8.003 1.00 0.00 N ATOM 0 H LYS A 30 -2.062 -5.296 2.427 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.970 -4.738 4.702 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.218 -6.058 4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.859 -5.525 6.008 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.111 -7.581 4.120 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.440 -7.891 5.710 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.336 -5.836 6.150 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.113 -6.892 4.987 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.673 -7.863 7.123 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.367 -8.874 6.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.208 -8.238 8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.134 -6.668 7.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.380 -7.087 8.773 1.00 0.00 H new ATOM 460 N ARG A 31 -1.101 -3.236 4.134 1.00 0.00 N ATOM 461 CA ARG A 31 -0.448 -1.906 4.314 1.00 0.00 C ATOM 462 C ARG A 31 0.277 -1.486 3.030 1.00 0.00 C ATOM 463 O ARG A 31 0.794 -2.306 2.298 1.00 0.00 O ATOM 464 CB ARG A 31 0.551 -2.106 5.457 1.00 0.00 C ATOM 465 CG ARG A 31 -0.078 -1.635 6.772 1.00 0.00 C ATOM 466 CD ARG A 31 1.027 -1.324 7.787 1.00 0.00 C ATOM 467 NE ARG A 31 0.750 0.068 8.240 1.00 0.00 N ATOM 468 CZ ARG A 31 0.909 0.391 9.495 1.00 0.00 C ATOM 469 NH1 ARG A 31 0.117 -0.109 10.405 1.00 0.00 N ATOM 470 NH2 ARG A 31 1.861 1.215 9.841 1.00 0.00 N ATOM 0 H ARG A 31 -0.513 -3.956 3.715 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.170 -1.121 4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.830 -3.157 5.531 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.465 -1.547 5.258 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.687 -0.748 6.598 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.742 -2.405 7.166 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.004 -2.023 8.623 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.015 -1.403 7.332 1.00 0.00 H new ATOM 0 HE ARG A 31 0.436 0.769 7.569 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.627 -0.753 10.136 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.242 0.144 11.385 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.480 1.606 9.131 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.986 1.468 10.821 1.00 0.00 H new ATOM 484 N CYS A 32 0.313 -0.209 2.753 1.00 0.00 N ATOM 485 CA CYS A 32 1.000 0.278 1.516 1.00 0.00 C ATOM 486 C CYS A 32 2.519 0.196 1.673 1.00 0.00 C ATOM 487 O CYS A 32 3.062 0.584 2.686 1.00 0.00 O ATOM 488 CB CYS A 32 0.580 1.741 1.378 1.00 0.00 C ATOM 489 SG CYS A 32 -1.165 1.837 0.933 1.00 0.00 S ATOM 0 H CYS A 32 -0.104 0.521 3.330 1.00 0.00 H new ATOM 0 HA CYS A 32 0.731 -0.321 0.646 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.755 2.269 2.315 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.186 2.233 0.617 1.00 0.00 H new ATOM 494 N ARG A 33 3.215 -0.289 0.677 1.00 0.00 N ATOM 495 CA ARG A 33 4.707 -0.361 0.784 1.00 0.00 C ATOM 496 C ARG A 33 5.322 -0.513 -0.609 1.00 0.00 C ATOM 497 O ARG A 33 5.946 -1.533 -0.852 1.00 0.00 O ATOM 498 CB ARG A 33 5.068 -1.580 1.664 1.00 0.00 C ATOM 499 CG ARG A 33 3.849 -2.444 2.005 1.00 0.00 C ATOM 500 CD ARG A 33 3.362 -2.096 3.415 1.00 0.00 C ATOM 501 NE ARG A 33 2.823 -3.371 3.954 1.00 0.00 N ATOM 502 CZ ARG A 33 3.558 -4.108 4.740 1.00 0.00 C ATOM 503 NH1 ARG A 33 4.825 -4.272 4.478 1.00 0.00 N ATOM 504 NH2 ARG A 33 3.028 -4.678 5.787 1.00 0.00 N ATOM 505 OXT ARG A 33 5.162 0.396 -1.408 1.00 0.00 O ATOM 0 H ARG A 33 2.822 -0.636 -0.198 1.00 0.00 H new ATOM 0 HA ARG A 33 5.099 0.552 1.232 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.808 -2.191 1.146 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.532 -1.232 2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.053 -2.273 1.280 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.110 -3.501 1.948 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.176 -1.718 4.033 1.00 0.00 H new ATOM 0 HD3 ARG A 33 2.595 -1.322 3.389 1.00 0.00 H new ATOM 0 HE ARG A 33 1.879 -3.670 3.710 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.239 -3.824 3.660 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.402 -4.848 5.091 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.037 -4.548 5.992 1.00 0.00 H new ATOM 0 HH22 ARG A 33 3.604 -5.254 6.401 1.00 0.00 H new TER 519 ARG A 33