USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 416 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= -2.04! (180deg=-4.89!) USER MOD Single : A 17 HIS : no HD1:sc= -0.255 K(o=-0.26,f=-0.91) USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 32 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.31) USER MOD Single : A 38 TYR OH : rot 10:sc= 0.211 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 54.275 6.039 5.861 1.00 0.00 N ATOM 2 CA MET A 1 55.006 5.463 4.697 1.00 0.00 C ATOM 3 C MET A 1 54.524 4.023 4.462 1.00 0.00 C ATOM 4 O MET A 1 53.983 3.710 3.419 1.00 0.00 O ATOM 5 CB MET A 1 56.528 5.481 4.980 1.00 0.00 C ATOM 6 CG MET A 1 57.201 6.628 4.220 1.00 0.00 C ATOM 7 SD MET A 1 58.975 6.617 4.569 1.00 0.00 S ATOM 8 CE MET A 1 59.468 7.638 3.164 1.00 0.00 C ATOM 0 H1 MET A 1 53.746 6.881 5.557 1.00 0.00 H new ATOM 0 H2 MET A 1 53.612 5.332 6.239 1.00 0.00 H new ATOM 0 H3 MET A 1 54.956 6.306 6.601 1.00 0.00 H new ATOM 0 HA MET A 1 54.809 6.056 3.804 1.00 0.00 H new ATOM 0 HB2 MET A 1 56.704 5.593 6.050 1.00 0.00 H new ATOM 0 HB3 MET A 1 56.971 4.530 4.682 1.00 0.00 H new ATOM 0 HG2 MET A 1 57.029 6.520 3.149 1.00 0.00 H new ATOM 0 HG3 MET A 1 56.766 7.582 4.518 1.00 0.00 H new ATOM 0 HE1 MET A 1 60.550 7.771 3.172 1.00 0.00 H new ATOM 0 HE2 MET A 1 59.170 7.149 2.237 1.00 0.00 H new ATOM 0 HE3 MET A 1 58.983 8.611 3.234 1.00 0.00 H new ATOM 20 N PRO A 2 54.715 3.150 5.422 1.00 0.00 N ATOM 21 CA PRO A 2 54.290 1.722 5.300 1.00 0.00 C ATOM 22 C PRO A 2 52.776 1.580 5.100 1.00 0.00 C ATOM 23 O PRO A 2 51.990 2.362 5.598 1.00 0.00 O ATOM 24 CB PRO A 2 54.742 1.087 6.631 1.00 0.00 C ATOM 25 CG PRO A 2 54.878 2.233 7.576 1.00 0.00 C ATOM 26 CD PRO A 2 55.356 3.406 6.727 1.00 0.00 C ATOM 0 HA PRO A 2 54.729 1.239 4.427 1.00 0.00 H new ATOM 0 HB2 PRO A 2 54.012 0.362 6.991 1.00 0.00 H new ATOM 0 HB3 PRO A 2 55.687 0.556 6.515 1.00 0.00 H new ATOM 0 HG2 PRO A 2 53.927 2.459 8.058 1.00 0.00 H new ATOM 0 HG3 PRO A 2 55.591 2.006 8.369 1.00 0.00 H new ATOM 0 HD2 PRO A 2 55.047 4.362 7.148 1.00 0.00 H new ATOM 0 HD3 PRO A 2 56.443 3.430 6.646 1.00 0.00 H new ATOM 34 N LEU A 3 52.370 0.589 4.356 1.00 0.00 N ATOM 35 CA LEU A 3 50.921 0.388 4.097 1.00 0.00 C ATOM 36 C LEU A 3 50.267 -0.249 5.326 1.00 0.00 C ATOM 37 O LEU A 3 50.871 -1.032 6.036 1.00 0.00 O ATOM 38 CB LEU A 3 50.741 -0.532 2.872 1.00 0.00 C ATOM 39 CG LEU A 3 51.943 -1.499 2.753 1.00 0.00 C ATOM 40 CD1 LEU A 3 51.493 -2.810 2.097 1.00 0.00 C ATOM 41 CD2 LEU A 3 53.060 -0.861 1.903 1.00 0.00 C ATOM 0 H LEU A 3 52.986 -0.094 3.914 1.00 0.00 H new ATOM 0 HA LEU A 3 50.448 1.349 3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 3 49.815 -1.100 2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 3 50.656 0.068 1.966 1.00 0.00 H new ATOM 0 HG LEU A 3 52.326 -1.703 3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 3 52.343 -3.487 2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 3 50.717 -3.274 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 3 51.098 -2.602 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 3 53.900 -1.552 1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 3 52.679 -0.643 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 3 53.393 0.064 2.374 1.00 0.00 H new ATOM 53 N GLU A 4 49.037 0.086 5.575 1.00 0.00 N ATOM 54 CA GLU A 4 48.321 -0.477 6.747 1.00 0.00 C ATOM 55 C GLU A 4 48.068 -1.971 6.542 1.00 0.00 C ATOM 56 O GLU A 4 47.544 -2.396 5.528 1.00 0.00 O ATOM 57 CB GLU A 4 46.991 0.256 6.915 1.00 0.00 C ATOM 58 CG GLU A 4 47.245 1.737 7.249 1.00 0.00 C ATOM 59 CD GLU A 4 47.506 2.534 5.963 1.00 0.00 C ATOM 60 OE1 GLU A 4 47.555 1.928 4.907 1.00 0.00 O ATOM 61 OE2 GLU A 4 47.636 3.742 6.058 1.00 0.00 O ATOM 0 H GLU A 4 48.490 0.735 5.009 1.00 0.00 H new ATOM 0 HA GLU A 4 48.930 -0.347 7.642 1.00 0.00 H new ATOM 0 HB2 GLU A 4 46.404 0.176 6.000 1.00 0.00 H new ATOM 0 HB3 GLU A 4 46.407 -0.210 7.709 1.00 0.00 H new ATOM 0 HG2 GLU A 4 46.384 2.152 7.774 1.00 0.00 H new ATOM 0 HG3 GLU A 4 48.100 1.825 7.919 1.00 0.00 H new ATOM 68 N ALA A 5 48.436 -2.769 7.505 1.00 0.00 N ATOM 69 CA ALA A 5 48.221 -4.235 7.401 1.00 0.00 C ATOM 70 C ALA A 5 46.797 -4.565 7.847 1.00 0.00 C ATOM 71 O ALA A 5 46.333 -5.679 7.708 1.00 0.00 O ATOM 72 CB ALA A 5 49.221 -4.946 8.312 1.00 0.00 C ATOM 0 H ALA A 5 48.882 -2.462 8.369 1.00 0.00 H new ATOM 0 HA ALA A 5 48.364 -4.564 6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 5 49.073 -6.024 8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 5 50.236 -4.699 8.001 1.00 0.00 H new ATOM 0 HB3 ALA A 5 49.069 -4.623 9.342 1.00 0.00 H new ATOM 78 N GLY A 6 46.096 -3.605 8.398 1.00 0.00 N ATOM 79 CA GLY A 6 44.706 -3.873 8.864 1.00 0.00 C ATOM 80 C GLY A 6 43.881 -2.587 8.820 1.00 0.00 C ATOM 81 O GLY A 6 43.913 -1.845 7.857 1.00 0.00 O ATOM 0 H GLY A 6 46.427 -2.651 8.544 1.00 0.00 H new ATOM 0 HA2 GLY A 6 44.243 -4.633 8.235 1.00 0.00 H new ATOM 0 HA3 GLY A 6 44.724 -4.268 9.880 1.00 0.00 H new ATOM 85 N LEU A 7 43.136 -2.328 9.861 1.00 0.00 N ATOM 86 CA LEU A 7 42.288 -1.099 9.914 1.00 0.00 C ATOM 87 C LEU A 7 41.349 -1.058 8.708 1.00 0.00 C ATOM 88 O LEU A 7 41.767 -0.873 7.583 1.00 0.00 O ATOM 89 CB LEU A 7 43.176 0.153 9.935 1.00 0.00 C ATOM 90 CG LEU A 7 43.739 0.355 11.344 1.00 0.00 C ATOM 91 CD1 LEU A 7 44.597 -0.854 11.734 1.00 0.00 C ATOM 92 CD2 LEU A 7 44.593 1.624 11.370 1.00 0.00 C ATOM 0 H LEU A 7 43.077 -2.922 10.688 1.00 0.00 H new ATOM 0 HA LEU A 7 41.690 -1.121 10.825 1.00 0.00 H new ATOM 0 HB2 LEU A 7 43.990 0.047 9.218 1.00 0.00 H new ATOM 0 HB3 LEU A 7 42.598 1.027 9.634 1.00 0.00 H new ATOM 0 HG LEU A 7 42.918 0.455 12.054 1.00 0.00 H new ATOM 0 HD11 LEU A 7 44.997 -0.708 12.737 1.00 0.00 H new ATOM 0 HD12 LEU A 7 43.985 -1.756 11.715 1.00 0.00 H new ATOM 0 HD13 LEU A 7 45.420 -0.959 11.027 1.00 0.00 H new ATOM 0 HD21 LEU A 7 44.996 1.771 12.372 1.00 0.00 H new ATOM 0 HD22 LEU A 7 45.414 1.525 10.660 1.00 0.00 H new ATOM 0 HD23 LEU A 7 43.979 2.482 11.096 1.00 0.00 H new ATOM 104 N LEU A 8 40.077 -1.223 8.952 1.00 0.00 N ATOM 105 CA LEU A 8 39.073 -1.198 7.852 1.00 0.00 C ATOM 106 C LEU A 8 39.558 -2.051 6.682 1.00 0.00 C ATOM 107 O LEU A 8 40.364 -1.632 5.876 1.00 0.00 O ATOM 108 CB LEU A 8 38.860 0.246 7.395 1.00 0.00 C ATOM 109 CG LEU A 8 38.504 1.115 8.608 1.00 0.00 C ATOM 110 CD1 LEU A 8 38.301 2.563 8.155 1.00 0.00 C ATOM 111 CD2 LEU A 8 37.218 0.594 9.277 1.00 0.00 C ATOM 0 H LEU A 8 39.686 -1.376 9.882 1.00 0.00 H new ATOM 0 HA LEU A 8 38.129 -1.606 8.214 1.00 0.00 H new ATOM 0 HB2 LEU A 8 39.762 0.624 6.915 1.00 0.00 H new ATOM 0 HB3 LEU A 8 38.062 0.291 6.654 1.00 0.00 H new ATOM 0 HG LEU A 8 39.319 1.069 9.331 1.00 0.00 H new ATOM 0 HD11 LEU A 8 38.048 3.182 9.016 1.00 0.00 H new ATOM 0 HD12 LEU A 8 39.219 2.934 7.699 1.00 0.00 H new ATOM 0 HD13 LEU A 8 37.491 2.606 7.427 1.00 0.00 H new ATOM 0 HD21 LEU A 8 36.976 1.219 10.136 1.00 0.00 H new ATOM 0 HD22 LEU A 8 36.396 0.627 8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 8 37.370 -0.434 9.607 1.00 0.00 H new ATOM 123 N GLU A 9 39.062 -3.253 6.585 1.00 0.00 N ATOM 124 CA GLU A 9 39.480 -4.149 5.475 1.00 0.00 C ATOM 125 C GLU A 9 38.585 -3.885 4.265 1.00 0.00 C ATOM 126 O GLU A 9 38.857 -4.336 3.170 1.00 0.00 O ATOM 127 CB GLU A 9 39.319 -5.607 5.922 1.00 0.00 C ATOM 128 CG GLU A 9 40.126 -6.521 4.999 1.00 0.00 C ATOM 129 CD GLU A 9 41.616 -6.322 5.276 1.00 0.00 C ATOM 130 OE1 GLU A 9 41.933 -5.635 6.234 1.00 0.00 O ATOM 131 OE2 GLU A 9 42.417 -6.857 4.526 1.00 0.00 O ATOM 0 H GLU A 9 38.382 -3.654 7.231 1.00 0.00 H new ATOM 0 HA GLU A 9 40.521 -3.961 5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 9 39.659 -5.722 6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 9 38.267 -5.890 5.901 1.00 0.00 H new ATOM 0 HG2 GLU A 9 39.849 -7.562 5.164 1.00 0.00 H new ATOM 0 HG3 GLU A 9 39.904 -6.294 3.956 1.00 0.00 H new ATOM 138 N ILE A 10 37.511 -3.161 4.452 1.00 0.00 N ATOM 139 CA ILE A 10 36.598 -2.880 3.309 1.00 0.00 C ATOM 140 C ILE A 10 37.073 -1.636 2.568 1.00 0.00 C ATOM 141 O ILE A 10 37.302 -0.595 3.157 1.00 0.00 O ATOM 142 CB ILE A 10 35.174 -2.655 3.831 1.00 0.00 C ATOM 143 CG1 ILE A 10 34.669 -3.931 4.545 1.00 0.00 C ATOM 144 CG2 ILE A 10 34.244 -2.294 2.662 1.00 0.00 C ATOM 145 CD1 ILE A 10 34.098 -4.944 3.537 1.00 0.00 C ATOM 0 H ILE A 10 37.230 -2.755 5.344 1.00 0.00 H new ATOM 0 HA ILE A 10 36.603 -3.730 2.627 1.00 0.00 H new ATOM 0 HB ILE A 10 35.177 -1.832 4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 10 35.488 -4.389 5.100 1.00 0.00 H new ATOM 0 HG13 ILE A 10 33.901 -3.665 5.271 1.00 0.00 H new ATOM 0 HG21 ILE A 10 33.233 -2.135 3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 10 34.600 -1.383 2.182 1.00 0.00 H new ATOM 0 HG23 ILE A 10 34.238 -3.108 1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 10 33.751 -5.830 4.069 1.00 0.00 H new ATOM 0 HD12 ILE A 10 33.263 -4.493 3.001 1.00 0.00 H new ATOM 0 HD13 ILE A 10 34.875 -5.228 2.827 1.00 0.00 H new ATOM 157 N LEU A 11 37.228 -1.744 1.274 1.00 0.00 N ATOM 158 CA LEU A 11 37.697 -0.585 0.460 1.00 0.00 C ATOM 159 C LEU A 11 36.533 -0.036 -0.354 1.00 0.00 C ATOM 160 O LEU A 11 35.819 -0.766 -1.024 1.00 0.00 O ATOM 161 CB LEU A 11 38.808 -1.057 -0.471 1.00 0.00 C ATOM 162 CG LEU A 11 39.909 -1.731 0.356 1.00 0.00 C ATOM 163 CD1 LEU A 11 41.014 -2.224 -0.579 1.00 0.00 C ATOM 164 CD2 LEU A 11 40.496 -0.731 1.370 1.00 0.00 C ATOM 0 H LEU A 11 37.047 -2.595 0.742 1.00 0.00 H new ATOM 0 HA LEU A 11 38.077 0.203 1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 11 38.410 -1.756 -1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 11 39.218 -0.212 -1.024 1.00 0.00 H new ATOM 0 HG LEU A 11 39.484 -2.575 0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 11 41.799 -2.704 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 11 40.599 -2.942 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 11 41.434 -1.378 -1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 11 41.277 -1.220 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 11 40.919 0.121 0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 11 39.707 -0.386 2.039 1.00 0.00 H new ATOM 176 N ALA A 12 36.334 1.255 -0.286 1.00 0.00 N ATOM 177 CA ALA A 12 35.216 1.891 -1.031 1.00 0.00 C ATOM 178 C ALA A 12 35.708 2.369 -2.387 1.00 0.00 C ATOM 179 O ALA A 12 36.888 2.565 -2.607 1.00 0.00 O ATOM 180 CB ALA A 12 34.695 3.087 -0.241 1.00 0.00 C ATOM 0 H ALA A 12 36.906 1.899 0.260 1.00 0.00 H new ATOM 0 HA ALA A 12 34.418 1.162 -1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 12 33.875 3.554 -0.787 1.00 0.00 H new ATOM 0 HB2 ALA A 12 34.339 2.752 0.733 1.00 0.00 H new ATOM 0 HB3 ALA A 12 35.499 3.811 -0.104 1.00 0.00 H new ATOM 186 N CYS A 13 34.810 2.535 -3.306 1.00 0.00 N ATOM 187 CA CYS A 13 35.215 2.970 -4.664 1.00 0.00 C ATOM 188 C CYS A 13 35.757 4.415 -4.642 1.00 0.00 C ATOM 189 O CYS A 13 35.367 5.210 -3.810 1.00 0.00 O ATOM 190 CB CYS A 13 34.003 2.891 -5.611 1.00 0.00 C ATOM 191 SG CYS A 13 32.741 1.805 -4.912 1.00 0.00 S ATOM 0 H CYS A 13 33.809 2.388 -3.176 1.00 0.00 H new ATOM 0 HA CYS A 13 36.007 2.309 -5.016 1.00 0.00 H new ATOM 0 HB2 CYS A 13 33.590 3.887 -5.770 1.00 0.00 H new ATOM 0 HB3 CYS A 13 34.317 2.517 -6.586 1.00 0.00 H new ATOM 196 N PRO A 14 36.619 4.766 -5.581 1.00 0.00 N ATOM 197 CA PRO A 14 37.169 6.152 -5.676 1.00 0.00 C ATOM 198 C PRO A 14 36.054 7.212 -5.727 1.00 0.00 C ATOM 199 O PRO A 14 36.110 8.220 -5.049 1.00 0.00 O ATOM 200 CB PRO A 14 37.950 6.153 -7.007 1.00 0.00 C ATOM 201 CG PRO A 14 38.270 4.721 -7.294 1.00 0.00 C ATOM 202 CD PRO A 14 37.167 3.885 -6.639 1.00 0.00 C ATOM 0 HA PRO A 14 37.780 6.400 -4.808 1.00 0.00 H new ATOM 0 HB2 PRO A 14 37.354 6.589 -7.809 1.00 0.00 H new ATOM 0 HB3 PRO A 14 38.860 6.748 -6.926 1.00 0.00 H new ATOM 0 HG2 PRO A 14 38.307 4.540 -8.368 1.00 0.00 H new ATOM 0 HG3 PRO A 14 39.248 4.455 -6.892 1.00 0.00 H new ATOM 0 HD2 PRO A 14 36.399 3.604 -7.360 1.00 0.00 H new ATOM 0 HD3 PRO A 14 37.564 2.960 -6.220 1.00 0.00 H new ATOM 210 N ALA A 15 35.047 6.982 -6.542 1.00 0.00 N ATOM 211 CA ALA A 15 33.919 7.958 -6.673 1.00 0.00 C ATOM 212 C ALA A 15 32.636 7.341 -6.118 1.00 0.00 C ATOM 213 O ALA A 15 32.047 7.841 -5.179 1.00 0.00 O ATOM 214 CB ALA A 15 33.710 8.284 -8.155 1.00 0.00 C ATOM 0 H ALA A 15 34.960 6.151 -7.127 1.00 0.00 H new ATOM 0 HA ALA A 15 34.159 8.864 -6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 15 32.890 8.994 -8.259 1.00 0.00 H new ATOM 0 HB2 ALA A 15 34.622 8.720 -8.564 1.00 0.00 H new ATOM 0 HB3 ALA A 15 33.469 7.370 -8.698 1.00 0.00 H new ATOM 220 N CYS A 16 32.189 6.264 -6.706 1.00 0.00 N ATOM 221 CA CYS A 16 30.933 5.621 -6.231 1.00 0.00 C ATOM 222 C CYS A 16 31.099 5.167 -4.779 1.00 0.00 C ATOM 223 O CYS A 16 32.199 5.043 -4.273 1.00 0.00 O ATOM 224 CB CYS A 16 30.597 4.415 -7.128 1.00 0.00 C ATOM 225 SG CYS A 16 32.103 3.800 -7.923 1.00 0.00 S ATOM 0 H CYS A 16 32.641 5.802 -7.495 1.00 0.00 H new ATOM 0 HA CYS A 16 30.117 6.341 -6.284 1.00 0.00 H new ATOM 0 HB2 CYS A 16 30.140 3.624 -6.533 1.00 0.00 H new ATOM 0 HB3 CYS A 16 29.868 4.705 -7.885 1.00 0.00 H new ATOM 230 N HIS A 17 30.003 4.916 -4.106 1.00 0.00 N ATOM 231 CA HIS A 17 30.064 4.468 -2.685 1.00 0.00 C ATOM 232 C HIS A 17 29.695 2.989 -2.599 1.00 0.00 C ATOM 233 O HIS A 17 28.539 2.619 -2.671 1.00 0.00 O ATOM 234 CB HIS A 17 29.072 5.283 -1.858 1.00 0.00 C ATOM 235 CG HIS A 17 29.220 4.913 -0.411 1.00 0.00 C ATOM 236 ND1 HIS A 17 28.584 3.811 0.141 1.00 0.00 N ATOM 237 CD2 HIS A 17 29.937 5.484 0.609 1.00 0.00 C ATOM 238 CE1 HIS A 17 28.929 3.752 1.440 1.00 0.00 C ATOM 239 NE2 HIS A 17 29.751 4.749 1.774 1.00 0.00 N ATOM 0 H HIS A 17 29.061 5.004 -4.487 1.00 0.00 H new ATOM 0 HA HIS A 17 31.073 4.614 -2.300 1.00 0.00 H new ATOM 0 HB2 HIS A 17 29.255 6.349 -1.994 1.00 0.00 H new ATOM 0 HB3 HIS A 17 28.053 5.089 -2.194 1.00 0.00 H new ATOM 0 HD2 HIS A 17 30.551 6.368 0.521 1.00 0.00 H new ATOM 0 HE1 HIS A 17 28.584 2.993 2.126 1.00 0.00 H new ATOM 0 HE2 HIS A 17 30.157 4.933 2.691 1.00 0.00 H new ATOM 247 N ALA A 18 30.668 2.142 -2.431 1.00 0.00 N ATOM 248 CA ALA A 18 30.379 0.690 -2.321 1.00 0.00 C ATOM 249 C ALA A 18 31.702 -0.078 -2.207 1.00 0.00 C ATOM 250 O ALA A 18 32.742 0.402 -2.614 1.00 0.00 O ATOM 251 CB ALA A 18 29.602 0.214 -3.568 1.00 0.00 C ATOM 0 H ALA A 18 31.654 2.394 -2.365 1.00 0.00 H new ATOM 0 HA ALA A 18 29.771 0.504 -1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 18 29.393 -0.852 -3.481 1.00 0.00 H new ATOM 0 HB2 ALA A 18 28.663 0.763 -3.643 1.00 0.00 H new ATOM 0 HB3 ALA A 18 30.201 0.395 -4.461 1.00 0.00 H new ATOM 257 N PRO A 19 31.652 -1.272 -1.673 1.00 0.00 N ATOM 258 CA PRO A 19 32.856 -2.138 -1.521 1.00 0.00 C ATOM 259 C PRO A 19 33.458 -2.555 -2.872 1.00 0.00 C ATOM 260 O PRO A 19 32.784 -2.602 -3.896 1.00 0.00 O ATOM 261 CB PRO A 19 32.343 -3.362 -0.732 1.00 0.00 C ATOM 262 CG PRO A 19 30.856 -3.373 -0.929 1.00 0.00 C ATOM 263 CD PRO A 19 30.438 -1.921 -1.149 1.00 0.00 C ATOM 0 HA PRO A 19 33.666 -1.615 -1.012 1.00 0.00 H new ATOM 0 HB2 PRO A 19 32.794 -4.283 -1.100 1.00 0.00 H new ATOM 0 HB3 PRO A 19 32.598 -3.282 0.325 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.583 -3.990 -1.785 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.352 -3.794 -0.059 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.611 -1.847 -1.855 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.107 -1.456 -0.220 1.00 0.00 H new ATOM 271 N LEU A 20 34.733 -2.849 -2.878 1.00 0.00 N ATOM 272 CA LEU A 20 35.418 -3.257 -4.140 1.00 0.00 C ATOM 273 C LEU A 20 35.710 -4.752 -4.112 1.00 0.00 C ATOM 274 O LEU A 20 35.942 -5.336 -3.069 1.00 0.00 O ATOM 275 CB LEU A 20 36.735 -2.490 -4.264 1.00 0.00 C ATOM 276 CG LEU A 20 36.446 -0.987 -4.362 1.00 0.00 C ATOM 277 CD1 LEU A 20 37.769 -0.219 -4.417 1.00 0.00 C ATOM 278 CD2 LEU A 20 35.612 -0.696 -5.625 1.00 0.00 C ATOM 0 H LEU A 20 35.334 -2.823 -2.054 1.00 0.00 H new ATOM 0 HA LEU A 20 34.773 -3.033 -4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 20 37.369 -2.693 -3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 20 37.281 -2.824 -5.146 1.00 0.00 H new ATOM 0 HG LEU A 20 35.880 -0.667 -3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 20 37.567 0.850 -4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 20 38.345 -0.421 -3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 20 38.339 -0.538 -5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 20 35.410 0.373 -5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 20 36.166 -1.014 -6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 20 34.669 -1.241 -5.572 1.00 0.00 H new ATOM 290 N GLU A 21 35.696 -5.373 -5.263 1.00 0.00 N ATOM 291 CA GLU A 21 35.970 -6.834 -5.349 1.00 0.00 C ATOM 292 C GLU A 21 37.360 -7.035 -5.944 1.00 0.00 C ATOM 293 O GLU A 21 37.693 -6.489 -6.999 1.00 0.00 O ATOM 294 CB GLU A 21 34.928 -7.499 -6.249 1.00 0.00 C ATOM 295 CG GLU A 21 35.221 -8.996 -6.356 1.00 0.00 C ATOM 296 CD GLU A 21 34.108 -9.674 -7.154 1.00 0.00 C ATOM 297 OE1 GLU A 21 33.073 -9.054 -7.336 1.00 0.00 O ATOM 298 OE2 GLU A 21 34.309 -10.803 -7.571 1.00 0.00 O ATOM 0 H GLU A 21 35.504 -4.922 -6.157 1.00 0.00 H new ATOM 0 HA GLU A 21 35.921 -7.281 -4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 21 33.929 -7.342 -5.843 1.00 0.00 H new ATOM 0 HB3 GLU A 21 34.944 -7.044 -7.239 1.00 0.00 H new ATOM 0 HG2 GLU A 21 36.183 -9.156 -6.844 1.00 0.00 H new ATOM 0 HG3 GLU A 21 35.291 -9.436 -5.361 1.00 0.00 H new ATOM 305 N GLU A 22 38.169 -7.804 -5.250 1.00 0.00 N ATOM 306 CA GLU A 22 39.560 -8.077 -5.702 1.00 0.00 C ATOM 307 C GLU A 22 39.547 -9.074 -6.847 1.00 0.00 C ATOM 308 O GLU A 22 38.924 -10.114 -6.769 1.00 0.00 O ATOM 309 CB GLU A 22 40.365 -8.669 -4.536 1.00 0.00 C ATOM 310 CG GLU A 22 41.835 -8.833 -4.946 1.00 0.00 C ATOM 311 CD GLU A 22 42.470 -7.451 -5.102 1.00 0.00 C ATOM 312 OE1 GLU A 22 41.832 -6.481 -4.729 1.00 0.00 O ATOM 313 OE2 GLU A 22 43.588 -7.386 -5.585 1.00 0.00 O ATOM 0 H GLU A 22 37.912 -8.259 -4.374 1.00 0.00 H new ATOM 0 HA GLU A 22 40.015 -7.145 -6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 22 40.292 -8.018 -3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 22 39.949 -9.634 -4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 22 42.373 -9.411 -4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 22 41.904 -9.386 -5.883 1.00 0.00 H new ATOM 320 N ARG A 23 40.243 -8.772 -7.913 1.00 0.00 N ATOM 321 CA ARG A 23 40.286 -9.705 -9.072 1.00 0.00 C ATOM 322 C ARG A 23 41.707 -9.766 -9.632 1.00 0.00 C ATOM 323 O ARG A 23 42.551 -8.950 -9.312 1.00 0.00 O ATOM 324 CB ARG A 23 39.313 -9.216 -10.156 1.00 0.00 C ATOM 325 CG ARG A 23 38.804 -10.405 -10.988 1.00 0.00 C ATOM 326 CD ARG A 23 37.611 -11.058 -10.281 1.00 0.00 C ATOM 327 NE ARG A 23 37.121 -12.198 -11.097 1.00 0.00 N ATOM 328 CZ ARG A 23 37.685 -13.370 -10.998 1.00 0.00 C ATOM 329 NH1 ARG A 23 38.696 -13.549 -10.190 1.00 0.00 N ATOM 330 NH2 ARG A 23 37.238 -14.361 -11.713 1.00 0.00 N ATOM 0 H ARG A 23 40.784 -7.915 -8.028 1.00 0.00 H new ATOM 0 HA ARG A 23 39.991 -10.703 -8.749 1.00 0.00 H new ATOM 0 HB2 ARG A 23 38.472 -8.700 -9.694 1.00 0.00 H new ATOM 0 HB3 ARG A 23 39.812 -8.496 -10.805 1.00 0.00 H new ATOM 0 HG2 ARG A 23 38.509 -10.066 -11.981 1.00 0.00 H new ATOM 0 HG3 ARG A 23 39.602 -11.135 -11.124 1.00 0.00 H new ATOM 0 HD2 ARG A 23 37.906 -11.405 -9.291 1.00 0.00 H new ATOM 0 HD3 ARG A 23 36.814 -10.328 -10.139 1.00 0.00 H new ATOM 0 HE ARG A 23 36.339 -12.064 -11.738 1.00 0.00 H new ATOM 0 HH11 ARG A 23 39.048 -12.770 -9.633 1.00 0.00 H new ATOM 0 HH12 ARG A 23 39.134 -14.467 -10.116 1.00 0.00 H new ATOM 0 HH21 ARG A 23 36.451 -14.219 -12.346 1.00 0.00 H new ATOM 0 HH22 ARG A 23 37.675 -15.280 -11.640 1.00 0.00 H new ATOM 344 N ASP A 24 41.966 -10.752 -10.451 1.00 0.00 N ATOM 345 CA ASP A 24 43.317 -10.930 -11.051 1.00 0.00 C ATOM 346 C ASP A 24 43.920 -9.576 -11.416 1.00 0.00 C ATOM 347 O ASP A 24 43.553 -8.961 -12.403 1.00 0.00 O ATOM 348 CB ASP A 24 43.186 -11.780 -12.315 1.00 0.00 C ATOM 349 CG ASP A 24 44.577 -12.058 -12.883 1.00 0.00 C ATOM 350 OD1 ASP A 24 45.530 -11.505 -12.357 1.00 0.00 O ATOM 351 OD2 ASP A 24 44.667 -12.820 -13.830 1.00 0.00 O ATOM 0 H ASP A 24 41.282 -11.454 -10.733 1.00 0.00 H new ATOM 0 HA ASP A 24 43.969 -11.421 -10.328 1.00 0.00 H new ATOM 0 HB2 ASP A 24 42.680 -12.718 -12.086 1.00 0.00 H new ATOM 0 HB3 ASP A 24 42.576 -11.261 -13.054 1.00 0.00 H new ATOM 356 N ALA A 25 44.844 -9.113 -10.615 1.00 0.00 N ATOM 357 CA ALA A 25 45.503 -7.801 -10.871 1.00 0.00 C ATOM 358 C ALA A 25 44.470 -6.780 -11.347 1.00 0.00 C ATOM 359 O ALA A 25 44.732 -5.971 -12.216 1.00 0.00 O ATOM 360 CB ALA A 25 46.593 -7.981 -11.928 1.00 0.00 C ATOM 0 H ALA A 25 45.174 -9.598 -9.781 1.00 0.00 H new ATOM 0 HA ALA A 25 45.953 -7.435 -9.948 1.00 0.00 H new ATOM 0 HB1 ALA A 25 47.077 -7.023 -12.118 1.00 0.00 H new ATOM 0 HB2 ALA A 25 47.333 -8.697 -11.570 1.00 0.00 H new ATOM 0 HB3 ALA A 25 46.147 -8.351 -12.851 1.00 0.00 H new ATOM 366 N GLU A 26 43.294 -6.813 -10.784 1.00 0.00 N ATOM 367 CA GLU A 26 42.243 -5.844 -11.197 1.00 0.00 C ATOM 368 C GLU A 26 41.209 -5.696 -10.089 1.00 0.00 C ATOM 369 O GLU A 26 41.013 -6.590 -9.284 1.00 0.00 O ATOM 370 CB GLU A 26 41.563 -6.335 -12.476 1.00 0.00 C ATOM 371 CG GLU A 26 40.460 -5.353 -12.880 1.00 0.00 C ATOM 372 CD GLU A 26 39.904 -5.755 -14.246 1.00 0.00 C ATOM 373 OE1 GLU A 26 40.558 -6.526 -14.925 1.00 0.00 O ATOM 374 OE2 GLU A 26 38.833 -5.288 -14.589 1.00 0.00 O ATOM 0 H GLU A 26 43.016 -7.470 -10.055 1.00 0.00 H new ATOM 0 HA GLU A 26 42.705 -4.875 -11.384 1.00 0.00 H new ATOM 0 HB2 GLU A 26 42.296 -6.425 -13.278 1.00 0.00 H new ATOM 0 HB3 GLU A 26 41.141 -7.327 -12.318 1.00 0.00 H new ATOM 0 HG2 GLU A 26 39.664 -5.355 -12.135 1.00 0.00 H new ATOM 0 HG3 GLU A 26 40.857 -4.338 -12.920 1.00 0.00 H new ATOM 381 N LEU A 27 40.545 -4.567 -10.045 1.00 0.00 N ATOM 382 CA LEU A 27 39.507 -4.334 -8.997 1.00 0.00 C ATOM 383 C LEU A 27 38.160 -4.109 -9.656 1.00 0.00 C ATOM 384 O LEU A 27 38.043 -3.341 -10.601 1.00 0.00 O ATOM 385 CB LEU A 27 39.893 -3.097 -8.183 1.00 0.00 C ATOM 386 CG LEU A 27 40.986 -3.473 -7.166 1.00 0.00 C ATOM 387 CD1 LEU A 27 41.813 -2.240 -6.816 1.00 0.00 C ATOM 388 CD2 LEU A 27 40.339 -4.015 -5.883 1.00 0.00 C ATOM 0 H LEU A 27 40.680 -3.793 -10.695 1.00 0.00 H new ATOM 0 HA LEU A 27 39.443 -5.202 -8.341 1.00 0.00 H new ATOM 0 HB2 LEU A 27 40.253 -2.310 -8.846 1.00 0.00 H new ATOM 0 HB3 LEU A 27 39.019 -2.702 -7.665 1.00 0.00 H new ATOM 0 HG LEU A 27 41.628 -4.236 -7.607 1.00 0.00 H new ATOM 0 HD11 LEU A 27 42.585 -2.512 -6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 27 42.281 -1.848 -7.719 1.00 0.00 H new ATOM 0 HD13 LEU A 27 41.165 -1.478 -6.383 1.00 0.00 H new ATOM 0 HD21 LEU A 27 41.117 -4.280 -5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 27 39.693 -3.251 -5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 27 39.748 -4.900 -6.119 1.00 0.00 H new ATOM 400 N ILE A 28 37.137 -4.768 -9.160 1.00 0.00 N ATOM 401 CA ILE A 28 35.772 -4.592 -9.750 1.00 0.00 C ATOM 402 C ILE A 28 34.825 -4.020 -8.699 1.00 0.00 C ATOM 403 O ILE A 28 34.683 -4.553 -7.621 1.00 0.00 O ATOM 404 CB ILE A 28 35.266 -5.942 -10.258 1.00 0.00 C ATOM 405 CG1 ILE A 28 36.159 -6.400 -11.418 1.00 0.00 C ATOM 406 CG2 ILE A 28 33.821 -5.800 -10.738 1.00 0.00 C ATOM 407 CD1 ILE A 28 35.806 -7.835 -11.806 1.00 0.00 C ATOM 0 H ILE A 28 37.189 -5.417 -8.375 1.00 0.00 H new ATOM 0 HA ILE A 28 35.817 -3.894 -10.586 1.00 0.00 H new ATOM 0 HB ILE A 28 35.300 -6.679 -9.456 1.00 0.00 H new ATOM 0 HG12 ILE A 28 36.026 -5.739 -12.274 1.00 0.00 H new ATOM 0 HG13 ILE A 28 37.208 -6.339 -11.128 1.00 0.00 H new ATOM 0 HG21 ILE A 28 33.462 -6.763 -11.100 1.00 0.00 H new ATOM 0 HG22 ILE A 28 33.194 -5.466 -9.911 1.00 0.00 H new ATOM 0 HG23 ILE A 28 33.776 -5.069 -11.546 1.00 0.00 H new ATOM 0 HD11 ILE A 28 36.443 -8.156 -12.630 1.00 0.00 H new ATOM 0 HD12 ILE A 28 35.961 -8.492 -10.950 1.00 0.00 H new ATOM 0 HD13 ILE A 28 34.762 -7.882 -12.115 1.00 0.00 H new ATOM 419 N CYS A 29 34.179 -2.927 -9.006 1.00 0.00 N ATOM 420 CA CYS A 29 33.248 -2.309 -8.022 1.00 0.00 C ATOM 421 C CYS A 29 32.190 -3.332 -7.610 1.00 0.00 C ATOM 422 O CYS A 29 31.556 -3.950 -8.443 1.00 0.00 O ATOM 423 CB CYS A 29 32.578 -1.086 -8.673 1.00 0.00 C ATOM 424 SG CYS A 29 33.460 0.424 -8.210 1.00 0.00 S ATOM 0 H CYS A 29 34.257 -2.436 -9.897 1.00 0.00 H new ATOM 0 HA CYS A 29 33.796 -1.993 -7.134 1.00 0.00 H new ATOM 0 HB2 CYS A 29 32.575 -1.197 -9.757 1.00 0.00 H new ATOM 0 HB3 CYS A 29 31.537 -1.020 -8.357 1.00 0.00 H new ATOM 429 N THR A 30 31.987 -3.514 -6.327 1.00 0.00 N ATOM 430 CA THR A 30 30.966 -4.490 -5.859 1.00 0.00 C ATOM 431 C THR A 30 29.711 -3.723 -5.438 1.00 0.00 C ATOM 432 O THR A 30 28.982 -4.146 -4.563 1.00 0.00 O ATOM 433 CB THR A 30 31.545 -5.265 -4.668 1.00 0.00 C ATOM 434 OG1 THR A 30 32.926 -5.500 -4.894 1.00 0.00 O ATOM 435 CG2 THR A 30 30.815 -6.600 -4.506 1.00 0.00 C ATOM 0 H THR A 30 32.488 -3.025 -5.586 1.00 0.00 H new ATOM 0 HA THR A 30 30.704 -5.191 -6.651 1.00 0.00 H new ATOM 0 HB THR A 30 31.415 -4.680 -3.758 1.00 0.00 H new ATOM 0 HG1 THR A 30 33.302 -5.994 -4.136 1.00 0.00 H new ATOM 0 HG21 THR A 30 31.233 -7.143 -3.658 1.00 0.00 H new ATOM 0 HG22 THR A 30 29.755 -6.416 -4.332 1.00 0.00 H new ATOM 0 HG23 THR A 30 30.936 -7.193 -5.412 1.00 0.00 H new ATOM 443 N GLY A 31 29.460 -2.582 -6.042 1.00 0.00 N ATOM 444 CA GLY A 31 28.261 -1.778 -5.663 1.00 0.00 C ATOM 445 C GLY A 31 27.123 -2.045 -6.640 1.00 0.00 C ATOM 446 O GLY A 31 27.335 -2.232 -7.822 1.00 0.00 O ATOM 0 H GLY A 31 30.036 -2.177 -6.780 1.00 0.00 H new ATOM 0 HA2 GLY A 31 27.948 -2.032 -4.650 1.00 0.00 H new ATOM 0 HA3 GLY A 31 28.510 -0.717 -5.663 1.00 0.00 H new ATOM 450 N GLN A 32 25.917 -2.046 -6.156 1.00 0.00 N ATOM 451 CA GLN A 32 24.753 -2.275 -7.047 1.00 0.00 C ATOM 452 C GLN A 32 24.591 -1.074 -7.983 1.00 0.00 C ATOM 453 O GLN A 32 24.173 -1.207 -9.117 1.00 0.00 O ATOM 454 CB GLN A 32 23.498 -2.432 -6.191 1.00 0.00 C ATOM 455 CG GLN A 32 23.620 -3.688 -5.325 1.00 0.00 C ATOM 456 CD GLN A 32 23.651 -4.927 -6.221 1.00 0.00 C ATOM 457 OE1 GLN A 32 22.785 -5.110 -7.052 1.00 0.00 O ATOM 458 NE2 GLN A 32 24.622 -5.790 -6.089 1.00 0.00 N ATOM 0 H GLN A 32 25.686 -1.897 -5.174 1.00 0.00 H new ATOM 0 HA GLN A 32 24.907 -3.177 -7.640 1.00 0.00 H new ATOM 0 HB2 GLN A 32 23.365 -1.554 -5.559 1.00 0.00 H new ATOM 0 HB3 GLN A 32 22.617 -2.502 -6.829 1.00 0.00 H new ATOM 0 HG2 GLN A 32 24.527 -3.640 -4.722 1.00 0.00 H new ATOM 0 HG3 GLN A 32 22.780 -3.748 -4.633 1.00 0.00 H new ATOM 0 HE21 GLN A 32 25.350 -5.636 -5.391 1.00 0.00 H new ATOM 0 HE22 GLN A 32 24.653 -6.618 -6.684 1.00 0.00 H new ATOM 467 N ASP A 33 24.913 0.105 -7.514 1.00 0.00 N ATOM 468 CA ASP A 33 24.778 1.319 -8.369 1.00 0.00 C ATOM 469 C ASP A 33 26.112 1.599 -9.058 1.00 0.00 C ATOM 470 O ASP A 33 26.228 2.503 -9.864 1.00 0.00 O ATOM 471 CB ASP A 33 24.393 2.512 -7.495 1.00 0.00 C ATOM 472 CG ASP A 33 22.976 2.311 -6.957 1.00 0.00 C ATOM 473 OD1 ASP A 33 22.276 1.462 -7.485 1.00 0.00 O ATOM 474 OD2 ASP A 33 22.613 3.007 -6.022 1.00 0.00 O ATOM 0 H ASP A 33 25.265 0.278 -6.572 1.00 0.00 H new ATOM 0 HA ASP A 33 24.006 1.157 -9.121 1.00 0.00 H new ATOM 0 HB2 ASP A 33 25.097 2.614 -6.669 1.00 0.00 H new ATOM 0 HB3 ASP A 33 24.447 3.434 -8.074 1.00 0.00 H new ATOM 479 N CYS A 34 27.122 0.827 -8.752 1.00 0.00 N ATOM 480 CA CYS A 34 28.452 1.039 -9.392 1.00 0.00 C ATOM 481 C CYS A 34 29.130 -0.313 -9.624 1.00 0.00 C ATOM 482 O CYS A 34 29.249 -1.129 -8.722 1.00 0.00 O ATOM 483 CB CYS A 34 29.320 1.916 -8.480 1.00 0.00 C ATOM 484 SG CYS A 34 30.001 0.920 -7.133 1.00 0.00 S ATOM 0 H CYS A 34 27.082 0.057 -8.084 1.00 0.00 H new ATOM 0 HA CYS A 34 28.323 1.539 -10.352 1.00 0.00 H new ATOM 0 HB2 CYS A 34 30.129 2.366 -9.056 1.00 0.00 H new ATOM 0 HB3 CYS A 34 28.725 2.734 -8.074 1.00 0.00 H new ATOM 489 N GLY A 35 29.577 -0.550 -10.831 1.00 0.00 N ATOM 490 CA GLY A 35 30.258 -1.836 -11.164 1.00 0.00 C ATOM 491 C GLY A 35 31.473 -1.534 -12.043 1.00 0.00 C ATOM 492 O GLY A 35 31.895 -2.347 -12.839 1.00 0.00 O ATOM 0 H GLY A 35 29.497 0.103 -11.610 1.00 0.00 H new ATOM 0 HA2 GLY A 35 30.569 -2.346 -10.252 1.00 0.00 H new ATOM 0 HA3 GLY A 35 29.571 -2.503 -11.685 1.00 0.00 H new ATOM 496 N LEU A 36 32.033 -0.362 -11.904 1.00 0.00 N ATOM 497 CA LEU A 36 33.215 0.010 -12.729 1.00 0.00 C ATOM 498 C LEU A 36 34.396 -0.884 -12.375 1.00 0.00 C ATOM 499 O LEU A 36 34.449 -1.471 -11.304 1.00 0.00 O ATOM 500 CB LEU A 36 33.588 1.468 -12.459 1.00 0.00 C ATOM 501 CG LEU A 36 32.379 2.366 -12.733 1.00 0.00 C ATOM 502 CD1 LEU A 36 32.747 3.820 -12.422 1.00 0.00 C ATOM 503 CD2 LEU A 36 31.951 2.239 -14.207 1.00 0.00 C ATOM 0 H LEU A 36 31.720 0.356 -11.251 1.00 0.00 H new ATOM 0 HA LEU A 36 32.968 -0.118 -13.783 1.00 0.00 H new ATOM 0 HB2 LEU A 36 33.914 1.585 -11.426 1.00 0.00 H new ATOM 0 HB3 LEU A 36 34.424 1.763 -13.093 1.00 0.00 H new ATOM 0 HG LEU A 36 31.549 2.057 -12.098 1.00 0.00 H new ATOM 0 HD11 LEU A 36 31.888 4.462 -12.616 1.00 0.00 H new ATOM 0 HD12 LEU A 36 33.035 3.906 -11.374 1.00 0.00 H new ATOM 0 HD13 LEU A 36 33.580 4.128 -13.054 1.00 0.00 H new ATOM 0 HD21 LEU A 36 31.090 2.881 -14.393 1.00 0.00 H new ATOM 0 HD22 LEU A 36 32.775 2.542 -14.853 1.00 0.00 H new ATOM 0 HD23 LEU A 36 31.684 1.204 -14.420 1.00 0.00 H new ATOM 515 N ALA A 37 35.345 -1.005 -13.278 1.00 0.00 N ATOM 516 CA ALA A 37 36.532 -1.868 -13.020 1.00 0.00 C ATOM 517 C ALA A 37 37.805 -1.042 -13.146 1.00 0.00 C ATOM 518 O ALA A 37 37.925 -0.185 -14.009 1.00 0.00 O ATOM 519 CB ALA A 37 36.554 -2.999 -14.041 1.00 0.00 C ATOM 0 H ALA A 37 35.342 -0.538 -14.185 1.00 0.00 H new ATOM 0 HA ALA A 37 36.473 -2.281 -12.013 1.00 0.00 H new ATOM 0 HB1 ALA A 37 37.420 -3.636 -13.860 1.00 0.00 H new ATOM 0 HB2 ALA A 37 35.643 -3.590 -13.949 1.00 0.00 H new ATOM 0 HB3 ALA A 37 36.615 -2.581 -15.046 1.00 0.00 H new ATOM 525 N TYR A 38 38.759 -1.303 -12.284 1.00 0.00 N ATOM 526 CA TYR A 38 40.052 -0.559 -12.317 1.00 0.00 C ATOM 527 C TYR A 38 41.219 -1.563 -12.421 1.00 0.00 C ATOM 528 O TYR A 38 41.351 -2.441 -11.578 1.00 0.00 O ATOM 529 CB TYR A 38 40.199 0.255 -11.034 1.00 0.00 C ATOM 530 CG TYR A 38 38.882 0.921 -10.724 1.00 0.00 C ATOM 531 CD1 TYR A 38 37.822 0.160 -10.223 1.00 0.00 C ATOM 532 CD2 TYR A 38 38.720 2.296 -10.939 1.00 0.00 C ATOM 533 CE1 TYR A 38 36.598 0.771 -9.938 1.00 0.00 C ATOM 534 CE2 TYR A 38 37.495 2.907 -10.654 1.00 0.00 C ATOM 535 CZ TYR A 38 36.434 2.145 -10.152 1.00 0.00 C ATOM 536 OH TYR A 38 35.225 2.746 -9.868 1.00 0.00 O ATOM 0 H TYR A 38 38.693 -2.009 -11.551 1.00 0.00 H new ATOM 0 HA TYR A 38 40.067 0.109 -13.179 1.00 0.00 H new ATOM 0 HB2 TYR A 38 40.497 -0.392 -10.209 1.00 0.00 H new ATOM 0 HB3 TYR A 38 40.982 1.004 -11.151 1.00 0.00 H new ATOM 0 HD1 TYR A 38 37.949 -0.899 -10.056 1.00 0.00 H new ATOM 0 HD2 TYR A 38 39.540 2.883 -11.324 1.00 0.00 H new ATOM 0 HE1 TYR A 38 35.778 0.183 -9.552 1.00 0.00 H new ATOM 0 HE2 TYR A 38 37.368 3.966 -10.821 1.00 0.00 H new ATOM 0 HH TYR A 38 34.652 2.116 -9.384 1.00 0.00 H new ATOM 546 N PRO A 39 42.062 -1.455 -13.435 1.00 0.00 N ATOM 547 CA PRO A 39 43.223 -2.375 -13.608 1.00 0.00 C ATOM 548 C PRO A 39 44.391 -2.027 -12.677 1.00 0.00 C ATOM 549 O PRO A 39 44.481 -0.931 -12.153 1.00 0.00 O ATOM 550 CB PRO A 39 43.610 -2.191 -15.080 1.00 0.00 C ATOM 551 CG PRO A 39 43.223 -0.784 -15.408 1.00 0.00 C ATOM 552 CD PRO A 39 42.012 -0.453 -14.525 1.00 0.00 C ATOM 0 HA PRO A 39 42.971 -3.405 -13.355 1.00 0.00 H new ATOM 0 HB2 PRO A 39 44.677 -2.352 -15.231 1.00 0.00 H new ATOM 0 HB3 PRO A 39 43.087 -2.903 -15.718 1.00 0.00 H new ATOM 0 HG2 PRO A 39 44.047 -0.098 -15.211 1.00 0.00 H new ATOM 0 HG3 PRO A 39 42.972 -0.686 -16.464 1.00 0.00 H new ATOM 0 HD2 PRO A 39 42.072 0.562 -14.134 1.00 0.00 H new ATOM 0 HD3 PRO A 39 41.080 -0.524 -15.086 1.00 0.00 H new ATOM 560 N VAL A 40 45.284 -2.957 -12.469 1.00 0.00 N ATOM 561 CA VAL A 40 46.453 -2.700 -11.580 1.00 0.00 C ATOM 562 C VAL A 40 47.644 -2.278 -12.431 1.00 0.00 C ATOM 563 O VAL A 40 47.950 -2.898 -13.433 1.00 0.00 O ATOM 564 CB VAL A 40 46.795 -3.972 -10.804 1.00 0.00 C ATOM 565 CG1 VAL A 40 48.131 -3.789 -10.075 1.00 0.00 C ATOM 566 CG2 VAL A 40 45.690 -4.241 -9.784 1.00 0.00 C ATOM 0 H VAL A 40 45.253 -3.890 -12.880 1.00 0.00 H new ATOM 0 HA VAL A 40 46.211 -1.906 -10.873 1.00 0.00 H new ATOM 0 HB VAL A 40 46.877 -4.813 -11.493 1.00 0.00 H new ATOM 0 HG11 VAL A 40 48.372 -4.698 -9.523 1.00 0.00 H new ATOM 0 HG12 VAL A 40 48.918 -3.587 -10.802 1.00 0.00 H new ATOM 0 HG13 VAL A 40 48.055 -2.952 -9.381 1.00 0.00 H new ATOM 0 HG21 VAL A 40 45.924 -5.147 -9.225 1.00 0.00 H new ATOM 0 HG22 VAL A 40 45.617 -3.398 -9.096 1.00 0.00 H new ATOM 0 HG23 VAL A 40 44.740 -4.370 -10.302 1.00 0.00 H new ATOM 576 N ARG A 41 48.320 -1.227 -12.040 1.00 0.00 N ATOM 577 CA ARG A 41 49.500 -0.753 -12.825 1.00 0.00 C ATOM 578 C ARG A 41 50.636 -0.377 -11.881 1.00 0.00 C ATOM 579 O ARG A 41 50.417 0.101 -10.786 1.00 0.00 O ATOM 580 CB ARG A 41 49.105 0.464 -13.659 1.00 0.00 C ATOM 581 CG ARG A 41 50.311 0.924 -14.483 1.00 0.00 C ATOM 582 CD ARG A 41 49.887 2.041 -15.437 1.00 0.00 C ATOM 583 NE ARG A 41 48.971 1.484 -16.470 1.00 0.00 N ATOM 584 CZ ARG A 41 48.472 2.259 -17.394 1.00 0.00 C ATOM 585 NH1 ARG A 41 48.778 3.527 -17.418 1.00 0.00 N ATOM 586 NH2 ARG A 41 47.671 1.764 -18.297 1.00 0.00 N ATOM 0 H ARG A 41 48.105 -0.676 -11.209 1.00 0.00 H new ATOM 0 HA ARG A 41 49.834 -1.554 -13.485 1.00 0.00 H new ATOM 0 HB2 ARG A 41 48.274 0.214 -14.318 1.00 0.00 H new ATOM 0 HB3 ARG A 41 48.765 1.270 -13.009 1.00 0.00 H new ATOM 0 HG2 ARG A 41 51.102 1.278 -13.822 1.00 0.00 H new ATOM 0 HG3 ARG A 41 50.719 0.086 -15.048 1.00 0.00 H new ATOM 0 HD2 ARG A 41 49.389 2.838 -14.884 1.00 0.00 H new ATOM 0 HD3 ARG A 41 50.764 2.482 -15.911 1.00 0.00 H new ATOM 0 HE ARG A 41 48.732 0.492 -16.456 1.00 0.00 H new ATOM 0 HH11 ARG A 41 49.408 3.913 -16.714 1.00 0.00 H new ATOM 0 HH12 ARG A 41 48.388 4.132 -18.140 1.00 0.00 H new ATOM 0 HH21 ARG A 41 47.435 0.772 -18.281 1.00 0.00 H new ATOM 0 HH22 ARG A 41 47.281 2.369 -19.019 1.00 0.00 H new ATOM 600 N ASP A 42 51.851 -0.591 -12.309 1.00 0.00 N ATOM 601 CA ASP A 42 53.033 -0.254 -11.465 1.00 0.00 C ATOM 602 C ASP A 42 52.924 -0.969 -10.117 1.00 0.00 C ATOM 603 O ASP A 42 53.465 -0.529 -9.119 1.00 0.00 O ATOM 604 CB ASP A 42 53.104 1.266 -11.258 1.00 0.00 C ATOM 605 CG ASP A 42 53.506 1.932 -12.576 1.00 0.00 C ATOM 606 OD1 ASP A 42 53.955 1.223 -13.461 1.00 0.00 O ATOM 607 OD2 ASP A 42 53.353 3.137 -12.680 1.00 0.00 O ATOM 0 H ASP A 42 52.077 -0.990 -13.220 1.00 0.00 H new ATOM 0 HA ASP A 42 53.943 -0.584 -11.966 1.00 0.00 H new ATOM 0 HB2 ASP A 42 52.138 1.646 -10.924 1.00 0.00 H new ATOM 0 HB3 ASP A 42 53.828 1.506 -10.479 1.00 0.00 H new ATOM 612 N GLY A 43 52.249 -2.085 -10.086 1.00 0.00 N ATOM 613 CA GLY A 43 52.125 -2.843 -8.813 1.00 0.00 C ATOM 614 C GLY A 43 51.117 -2.153 -7.901 1.00 0.00 C ATOM 615 O GLY A 43 50.955 -2.528 -6.758 1.00 0.00 O ATOM 0 H GLY A 43 51.778 -2.503 -10.888 1.00 0.00 H new ATOM 0 HA2 GLY A 43 51.806 -3.865 -9.017 1.00 0.00 H new ATOM 0 HA3 GLY A 43 53.095 -2.904 -8.319 1.00 0.00 H new ATOM 619 N ILE A 44 50.436 -1.142 -8.394 1.00 0.00 N ATOM 620 CA ILE A 44 49.433 -0.424 -7.548 1.00 0.00 C ATOM 621 C ILE A 44 48.113 -0.277 -8.322 1.00 0.00 C ATOM 622 O ILE A 44 48.103 -0.183 -9.541 1.00 0.00 O ATOM 623 CB ILE A 44 49.971 0.963 -7.185 1.00 0.00 C ATOM 624 CG1 ILE A 44 50.531 1.641 -8.435 1.00 0.00 C ATOM 625 CG2 ILE A 44 51.084 0.817 -6.143 1.00 0.00 C ATOM 626 CD1 ILE A 44 51.040 3.034 -8.068 1.00 0.00 C ATOM 0 H ILE A 44 50.533 -0.786 -9.345 1.00 0.00 H new ATOM 0 HA ILE A 44 49.254 -0.995 -6.637 1.00 0.00 H new ATOM 0 HB ILE A 44 49.163 1.570 -6.777 1.00 0.00 H new ATOM 0 HG12 ILE A 44 51.341 1.044 -8.855 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.759 1.713 -9.201 1.00 0.00 H new ATOM 0 HG21 ILE A 44 51.470 1.803 -5.882 1.00 0.00 H new ATOM 0 HG22 ILE A 44 50.686 0.335 -5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 44 51.890 0.209 -6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 44 51.440 3.521 -8.957 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.218 3.628 -7.668 1.00 0.00 H new ATOM 0 HD13 ILE A 44 51.825 2.948 -7.317 1.00 0.00 H new ATOM 638 N PRO A 45 47.001 -0.262 -7.617 1.00 0.00 N ATOM 639 CA PRO A 45 45.653 -0.122 -8.243 1.00 0.00 C ATOM 640 C PRO A 45 45.418 1.273 -8.834 1.00 0.00 C ATOM 641 O PRO A 45 45.835 2.274 -8.287 1.00 0.00 O ATOM 642 CB PRO A 45 44.686 -0.403 -7.079 1.00 0.00 C ATOM 643 CG PRO A 45 45.444 -0.033 -5.849 1.00 0.00 C ATOM 644 CD PRO A 45 46.901 -0.381 -6.147 1.00 0.00 C ATOM 0 HA PRO A 45 45.523 -0.799 -9.087 1.00 0.00 H new ATOM 0 HB2 PRO A 45 43.774 0.186 -7.173 1.00 0.00 H new ATOM 0 HB3 PRO A 45 44.387 -1.451 -7.058 1.00 0.00 H new ATOM 0 HG2 PRO A 45 45.332 1.027 -5.623 1.00 0.00 H new ATOM 0 HG3 PRO A 45 45.078 -0.584 -4.982 1.00 0.00 H new ATOM 0 HD2 PRO A 45 47.586 0.301 -5.643 1.00 0.00 H new ATOM 0 HD3 PRO A 45 47.148 -1.388 -5.810 1.00 0.00 H new ATOM 652 N VAL A 46 44.739 1.346 -9.948 1.00 0.00 N ATOM 653 CA VAL A 46 44.465 2.670 -10.569 1.00 0.00 C ATOM 654 C VAL A 46 43.167 3.233 -9.989 1.00 0.00 C ATOM 655 O VAL A 46 42.085 2.948 -10.464 1.00 0.00 O ATOM 656 CB VAL A 46 44.328 2.491 -12.079 1.00 0.00 C ATOM 657 CG1 VAL A 46 43.981 3.832 -12.729 1.00 0.00 C ATOM 658 CG2 VAL A 46 45.655 1.977 -12.642 1.00 0.00 C ATOM 0 H VAL A 46 44.363 0.544 -10.453 1.00 0.00 H new ATOM 0 HA VAL A 46 45.281 3.361 -10.361 1.00 0.00 H new ATOM 0 HB VAL A 46 43.534 1.776 -12.293 1.00 0.00 H new ATOM 0 HG11 VAL A 46 43.884 3.700 -13.807 1.00 0.00 H new ATOM 0 HG12 VAL A 46 43.039 4.200 -12.323 1.00 0.00 H new ATOM 0 HG13 VAL A 46 44.772 4.552 -12.522 1.00 0.00 H new ATOM 0 HG21 VAL A 46 45.566 1.846 -13.720 1.00 0.00 H new ATOM 0 HG22 VAL A 46 46.445 2.697 -12.428 1.00 0.00 H new ATOM 0 HG23 VAL A 46 45.901 1.021 -12.180 1.00 0.00 H new ATOM 668 N LEU A 47 43.267 4.023 -8.956 1.00 0.00 N ATOM 669 CA LEU A 47 42.048 4.599 -8.327 1.00 0.00 C ATOM 670 C LEU A 47 41.599 5.824 -9.120 1.00 0.00 C ATOM 671 O LEU A 47 41.228 6.836 -8.556 1.00 0.00 O ATOM 672 CB LEU A 47 42.380 5.006 -6.891 1.00 0.00 C ATOM 673 CG LEU A 47 42.960 3.798 -6.144 1.00 0.00 C ATOM 674 CD1 LEU A 47 43.342 4.213 -4.720 1.00 0.00 C ATOM 675 CD2 LEU A 47 41.924 2.663 -6.092 1.00 0.00 C ATOM 0 H LEU A 47 44.147 4.295 -8.519 1.00 0.00 H new ATOM 0 HA LEU A 47 41.245 3.862 -8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 47 43.097 5.827 -6.890 1.00 0.00 H new ATOM 0 HB3 LEU A 47 41.483 5.365 -6.386 1.00 0.00 H new ATOM 0 HG LEU A 47 43.846 3.444 -6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 47 43.754 3.355 -4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 47 44.088 5.007 -4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 47 42.457 4.573 -4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 47 42.345 1.810 -5.560 1.00 0.00 H new ATOM 0 HD22 LEU A 47 41.030 3.009 -5.573 1.00 0.00 H new ATOM 0 HD23 LEU A 47 41.661 2.364 -7.107 1.00 0.00 H new ATOM 687 N LEU A 48 41.629 5.737 -10.429 1.00 0.00 N ATOM 688 CA LEU A 48 41.204 6.887 -11.282 1.00 0.00 C ATOM 689 C LEU A 48 40.013 6.469 -12.140 1.00 0.00 C ATOM 690 O LEU A 48 40.089 5.552 -12.931 1.00 0.00 O ATOM 691 CB LEU A 48 42.372 7.302 -12.179 1.00 0.00 C ATOM 692 CG LEU A 48 43.587 7.651 -11.311 1.00 0.00 C ATOM 693 CD1 LEU A 48 44.769 8.014 -12.214 1.00 0.00 C ATOM 694 CD2 LEU A 48 43.256 8.838 -10.386 1.00 0.00 C ATOM 0 H LEU A 48 41.933 4.911 -10.945 1.00 0.00 H new ATOM 0 HA LEU A 48 40.913 7.728 -10.653 1.00 0.00 H new ATOM 0 HB2 LEU A 48 42.623 6.493 -12.865 1.00 0.00 H new ATOM 0 HB3 LEU A 48 42.089 8.160 -12.788 1.00 0.00 H new ATOM 0 HG LEU A 48 43.847 6.789 -10.697 1.00 0.00 H new ATOM 0 HD11 LEU A 48 45.634 8.262 -11.599 1.00 0.00 H new ATOM 0 HD12 LEU A 48 45.011 7.166 -12.855 1.00 0.00 H new ATOM 0 HD13 LEU A 48 44.505 8.872 -12.832 1.00 0.00 H new ATOM 0 HD21 LEU A 48 44.126 9.077 -9.775 1.00 0.00 H new ATOM 0 HD22 LEU A 48 42.987 9.705 -10.989 1.00 0.00 H new ATOM 0 HD23 LEU A 48 42.420 8.573 -9.739 1.00 0.00 H new ATOM 706 N VAL A 49 38.910 7.146 -11.986 1.00 0.00 N ATOM 707 CA VAL A 49 37.705 6.811 -12.786 1.00 0.00 C ATOM 708 C VAL A 49 37.978 7.105 -14.259 1.00 0.00 C ATOM 709 O VAL A 49 37.435 6.472 -15.143 1.00 0.00 O ATOM 710 CB VAL A 49 36.527 7.655 -12.299 1.00 0.00 C ATOM 711 CG1 VAL A 49 36.038 7.115 -10.956 1.00 0.00 C ATOM 712 CG2 VAL A 49 36.978 9.105 -12.122 1.00 0.00 C ATOM 0 H VAL A 49 38.793 7.922 -11.335 1.00 0.00 H new ATOM 0 HA VAL A 49 37.465 5.754 -12.669 1.00 0.00 H new ATOM 0 HB VAL A 49 35.720 7.609 -13.031 1.00 0.00 H new ATOM 0 HG11 VAL A 49 35.198 7.715 -10.607 1.00 0.00 H new ATOM 0 HG12 VAL A 49 35.720 6.079 -11.074 1.00 0.00 H new ATOM 0 HG13 VAL A 49 36.847 7.165 -10.227 1.00 0.00 H new ATOM 0 HG21 VAL A 49 36.139 9.707 -11.775 1.00 0.00 H new ATOM 0 HG22 VAL A 49 37.784 9.149 -11.389 1.00 0.00 H new ATOM 0 HG23 VAL A 49 37.334 9.494 -13.076 1.00 0.00 H new ATOM 722 N ASP A 50 38.808 8.072 -14.528 1.00 0.00 N ATOM 723 CA ASP A 50 39.115 8.421 -15.940 1.00 0.00 C ATOM 724 C ASP A 50 39.797 7.238 -16.630 1.00 0.00 C ATOM 725 O ASP A 50 39.534 6.940 -17.778 1.00 0.00 O ATOM 726 CB ASP A 50 40.050 9.629 -15.969 1.00 0.00 C ATOM 727 CG ASP A 50 39.279 10.889 -15.567 1.00 0.00 C ATOM 728 OD1 ASP A 50 38.060 10.839 -15.555 1.00 0.00 O ATOM 729 OD2 ASP A 50 39.922 11.883 -15.278 1.00 0.00 O ATOM 0 H ASP A 50 39.288 8.637 -13.828 1.00 0.00 H new ATOM 0 HA ASP A 50 38.188 8.658 -16.463 1.00 0.00 H new ATOM 0 HB2 ASP A 50 40.886 9.470 -15.288 1.00 0.00 H new ATOM 0 HB3 ASP A 50 40.471 9.751 -16.967 1.00 0.00 H new ATOM 734 N GLU A 51 40.684 6.570 -15.941 1.00 0.00 N ATOM 735 CA GLU A 51 41.396 5.412 -16.552 1.00 0.00 C ATOM 736 C GLU A 51 40.616 4.132 -16.255 1.00 0.00 C ATOM 737 O GLU A 51 40.938 3.066 -16.745 1.00 0.00 O ATOM 738 CB GLU A 51 42.795 5.313 -15.940 1.00 0.00 C ATOM 739 CG GLU A 51 43.629 6.522 -16.373 1.00 0.00 C ATOM 740 CD GLU A 51 45.001 6.473 -15.696 1.00 0.00 C ATOM 741 OE1 GLU A 51 45.238 5.536 -14.952 1.00 0.00 O ATOM 742 OE2 GLU A 51 45.789 7.372 -15.935 1.00 0.00 O ATOM 0 H GLU A 51 40.946 6.778 -14.978 1.00 0.00 H new ATOM 0 HA GLU A 51 41.475 5.547 -17.631 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.726 5.276 -14.853 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.279 4.390 -16.260 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.748 6.525 -17.457 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.114 7.445 -16.106 1.00 0.00 H new ATOM 749 N ALA A 52 39.595 4.227 -15.451 1.00 0.00 N ATOM 750 CA ALA A 52 38.793 3.020 -15.107 1.00 0.00 C ATOM 751 C ALA A 52 38.102 2.480 -16.354 1.00 0.00 C ATOM 752 O ALA A 52 37.891 3.195 -17.318 1.00 0.00 O ATOM 753 CB ALA A 52 37.739 3.383 -14.067 1.00 0.00 C ATOM 0 H ALA A 52 39.280 5.093 -15.015 1.00 0.00 H new ATOM 0 HA ALA A 52 39.459 2.257 -14.704 1.00 0.00 H new ATOM 0 HB1 ALA A 52 37.154 2.498 -13.818 1.00 0.00 H new ATOM 0 HB2 ALA A 52 38.229 3.759 -13.169 1.00 0.00 H new ATOM 0 HB3 ALA A 52 37.080 4.152 -14.470 1.00 0.00 H new ATOM 759 N ARG A 53 37.749 1.216 -16.343 1.00 0.00 N ATOM 760 CA ARG A 53 37.073 0.602 -17.526 1.00 0.00 C ATOM 761 C ARG A 53 35.809 -0.133 -17.081 1.00 0.00 C ATOM 762 O ARG A 53 35.562 -0.334 -15.900 1.00 0.00 O ATOM 763 CB ARG A 53 38.033 -0.379 -18.205 1.00 0.00 C ATOM 764 CG ARG A 53 38.465 -1.454 -17.205 1.00 0.00 C ATOM 765 CD ARG A 53 39.436 -2.420 -17.884 1.00 0.00 C ATOM 766 NE ARG A 53 40.700 -1.698 -18.212 1.00 0.00 N ATOM 767 CZ ARG A 53 41.533 -2.196 -19.088 1.00 0.00 C ATOM 768 NH1 ARG A 53 41.255 -3.319 -19.688 1.00 0.00 N ATOM 769 NH2 ARG A 53 42.642 -1.567 -19.361 1.00 0.00 N ATOM 0 H ARG A 53 37.902 0.581 -15.559 1.00 0.00 H new ATOM 0 HA ARG A 53 36.795 1.386 -18.231 1.00 0.00 H new ATOM 0 HB2 ARG A 53 37.548 -0.842 -19.064 1.00 0.00 H new ATOM 0 HB3 ARG A 53 38.907 0.154 -18.581 1.00 0.00 H new ATOM 0 HG2 ARG A 53 38.941 -0.991 -16.340 1.00 0.00 H new ATOM 0 HG3 ARG A 53 37.593 -1.996 -16.838 1.00 0.00 H new ATOM 0 HD2 ARG A 53 39.646 -3.264 -17.228 1.00 0.00 H new ATOM 0 HD3 ARG A 53 38.989 -2.825 -18.792 1.00 0.00 H new ATOM 0 HE ARG A 53 40.915 -0.814 -17.752 1.00 0.00 H new ATOM 0 HH11 ARG A 53 40.387 -3.810 -19.474 1.00 0.00 H new ATOM 0 HH12 ARG A 53 41.905 -3.707 -20.371 1.00 0.00 H new ATOM 0 HH21 ARG A 53 42.859 -0.688 -18.891 1.00 0.00 H new ATOM 0 HH22 ARG A 53 43.293 -1.954 -20.044 1.00 0.00 H new ATOM 783 N ARG A 54 34.998 -0.523 -18.026 1.00 0.00 N ATOM 784 CA ARG A 54 33.742 -1.231 -17.687 1.00 0.00 C ATOM 785 C ARG A 54 34.057 -2.687 -17.314 1.00 0.00 C ATOM 786 O ARG A 54 35.042 -3.248 -17.753 1.00 0.00 O ATOM 787 CB ARG A 54 32.805 -1.193 -18.909 1.00 0.00 C ATOM 788 CG ARG A 54 31.994 0.106 -18.895 1.00 0.00 C ATOM 789 CD ARG A 54 31.270 0.274 -20.230 1.00 0.00 C ATOM 790 NE ARG A 54 32.273 0.489 -21.310 1.00 0.00 N ATOM 791 CZ ARG A 54 31.920 0.388 -22.562 1.00 0.00 C ATOM 792 NH1 ARG A 54 30.687 0.097 -22.870 1.00 0.00 N ATOM 793 NH2 ARG A 54 32.801 0.579 -23.505 1.00 0.00 N ATOM 0 H ARG A 54 35.157 -0.378 -19.023 1.00 0.00 H new ATOM 0 HA ARG A 54 33.258 -0.746 -16.839 1.00 0.00 H new ATOM 0 HB2 ARG A 54 33.387 -1.260 -19.828 1.00 0.00 H new ATOM 0 HB3 ARG A 54 32.135 -2.052 -18.893 1.00 0.00 H new ATOM 0 HG2 ARG A 54 31.272 0.087 -18.078 1.00 0.00 H new ATOM 0 HG3 ARG A 54 32.653 0.956 -18.718 1.00 0.00 H new ATOM 0 HD2 ARG A 54 30.670 -0.610 -20.445 1.00 0.00 H new ATOM 0 HD3 ARG A 54 30.584 1.120 -20.181 1.00 0.00 H new ATOM 0 HE ARG A 54 33.238 0.716 -21.070 1.00 0.00 H new ATOM 0 HH11 ARG A 54 29.999 -0.052 -22.132 1.00 0.00 H new ATOM 0 HH12 ARG A 54 30.411 0.018 -23.849 1.00 0.00 H new ATOM 0 HH21 ARG A 54 33.765 0.807 -23.263 1.00 0.00 H new ATOM 0 HH22 ARG A 54 32.525 0.500 -24.484 1.00 0.00 H new ATOM 807 N PRO A 55 33.220 -3.294 -16.507 1.00 0.00 N ATOM 808 CA PRO A 55 33.406 -4.710 -16.066 1.00 0.00 C ATOM 809 C PRO A 55 33.320 -5.704 -17.233 1.00 0.00 C ATOM 810 O PRO A 55 32.576 -5.515 -18.177 1.00 0.00 O ATOM 811 CB PRO A 55 32.266 -4.934 -15.050 1.00 0.00 C ATOM 812 CG PRO A 55 31.235 -3.900 -15.381 1.00 0.00 C ATOM 813 CD PRO A 55 32.005 -2.699 -15.924 1.00 0.00 C ATOM 0 HA PRO A 55 34.395 -4.877 -15.639 1.00 0.00 H new ATOM 0 HB2 PRO A 55 31.856 -5.940 -15.135 1.00 0.00 H new ATOM 0 HB3 PRO A 55 32.623 -4.820 -14.026 1.00 0.00 H new ATOM 0 HG2 PRO A 55 30.527 -4.277 -16.120 1.00 0.00 H new ATOM 0 HG3 PRO A 55 30.658 -3.627 -14.497 1.00 0.00 H new ATOM 0 HD2 PRO A 55 31.426 -2.158 -16.672 1.00 0.00 H new ATOM 0 HD3 PRO A 55 32.247 -1.989 -15.134 1.00 0.00 H new ATOM 821 N GLU A 56 34.081 -6.761 -17.169 1.00 0.00 N ATOM 822 CA GLU A 56 34.059 -7.771 -18.260 1.00 0.00 C ATOM 823 C GLU A 56 32.789 -8.617 -18.135 1.00 0.00 C ATOM 824 O GLU A 56 32.842 -9.633 -17.460 1.00 0.00 O ATOM 825 CB GLU A 56 35.287 -8.672 -18.127 1.00 0.00 C ATOM 826 CG GLU A 56 35.399 -9.578 -19.352 1.00 0.00 C ATOM 827 CD GLU A 56 35.800 -8.735 -20.563 1.00 0.00 C ATOM 828 OE1 GLU A 56 36.106 -7.571 -20.374 1.00 0.00 O ATOM 829 OE2 GLU A 56 35.794 -9.269 -21.662 1.00 0.00 O ATOM 830 OXT GLU A 56 31.786 -8.236 -18.715 1.00 0.00 O ATOM 0 H GLU A 56 34.721 -6.968 -16.402 1.00 0.00 H new ATOM 0 HA GLU A 56 34.071 -7.274 -19.230 1.00 0.00 H new ATOM 0 HB2 GLU A 56 36.187 -8.064 -18.029 1.00 0.00 H new ATOM 0 HB3 GLU A 56 35.210 -9.276 -17.223 1.00 0.00 H new ATOM 0 HG2 GLU A 56 36.139 -10.359 -19.176 1.00 0.00 H new ATOM 0 HG3 GLU A 56 34.448 -10.077 -19.539 1.00 0.00 H new TER 837 GLU A 56 HETATM 838 ZN ZN A 150 32.078 1.744 -7.046 1.00 0.00 ZN