USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 266 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 SER N :NH3+ 176:sc= 0.00887 (180deg=0.00352) USER MOD Single : A 1 SER OG : rot 180:sc=0.000875 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 95:sc= 0.00176 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 82:sc= 0.0119 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -14.686 6.018 7.588 1.00 10.00 N ATOM 2 CA SER A 1 -15.059 7.304 6.919 1.00 10.00 C ATOM 3 C SER A 1 -16.217 7.081 5.937 1.00 10.00 C ATOM 4 O SER A 1 -17.180 7.825 5.927 1.00 10.00 O ATOM 5 CB SER A 1 -13.799 7.751 6.174 1.00 10.00 C ATOM 6 OG SER A 1 -12.747 7.959 7.109 1.00 10.00 O ATOM 0 H1 SER A 1 -13.858 6.172 8.198 1.00 10.00 H new ATOM 0 H2 SER A 1 -15.484 5.683 8.165 1.00 10.00 H new ATOM 0 H3 SER A 1 -14.457 5.305 6.866 1.00 10.00 H new ATOM 0 HA SER A 1 -15.394 8.054 7.635 1.00 10.00 H new ATOM 0 HB2 SER A 1 -13.508 6.996 5.444 1.00 10.00 H new ATOM 0 HB3 SER A 1 -13.996 8.670 5.621 1.00 10.00 H new ATOM 0 HG SER A 1 -11.939 8.244 6.634 1.00 10.00 H new ATOM 14 N GLY A 2 -16.129 6.063 5.115 1.00 10.00 N ATOM 15 CA GLY A 2 -17.218 5.784 4.133 1.00 10.00 C ATOM 16 C GLY A 2 -18.353 5.020 4.824 1.00 10.00 C ATOM 17 O GLY A 2 -19.223 5.613 5.432 1.00 10.00 O ATOM 0 H GLY A 2 -15.345 5.412 5.084 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -17.595 6.719 3.719 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -16.828 5.200 3.299 1.00 10.00 H new ATOM 21 N SER A 3 -18.353 3.709 4.733 1.00 10.00 N ATOM 22 CA SER A 3 -19.441 2.913 5.386 1.00 10.00 C ATOM 23 C SER A 3 -19.047 1.433 5.528 1.00 10.00 C ATOM 24 O SER A 3 -19.096 0.879 6.611 1.00 10.00 O ATOM 25 CB SER A 3 -20.651 3.056 4.457 1.00 10.00 C ATOM 26 OG SER A 3 -21.811 2.553 5.110 1.00 10.00 O ATOM 0 H SER A 3 -17.651 3.160 4.238 1.00 10.00 H new ATOM 0 HA SER A 3 -19.646 3.271 6.395 1.00 10.00 H new ATOM 0 HB2 SER A 3 -20.796 4.103 4.189 1.00 10.00 H new ATOM 0 HB3 SER A 3 -20.477 2.511 3.529 1.00 10.00 H new ATOM 0 HG SER A 3 -22.586 2.646 4.517 1.00 10.00 H new ATOM 32 N TRP A 4 -18.674 0.783 4.448 1.00 10.00 N ATOM 33 CA TRP A 4 -18.300 -0.666 4.535 1.00 10.00 C ATOM 34 C TRP A 4 -17.091 -0.978 3.633 1.00 10.00 C ATOM 35 O TRP A 4 -16.205 -0.164 3.473 1.00 10.00 O ATOM 36 CB TRP A 4 -19.554 -1.412 4.057 1.00 10.00 C ATOM 37 CG TRP A 4 -19.875 -2.536 4.996 1.00 10.00 C ATOM 38 CD1 TRP A 4 -21.125 -2.969 5.278 1.00 10.00 C ATOM 39 CD2 TRP A 4 -18.968 -3.378 5.773 1.00 10.00 C ATOM 40 NE1 TRP A 4 -21.045 -4.017 6.176 1.00 10.00 N ATOM 41 CE2 TRP A 4 -19.739 -4.307 6.511 1.00 10.00 C ATOM 42 CE3 TRP A 4 -17.568 -3.426 5.910 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -19.144 -5.247 7.353 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -16.967 -4.371 6.756 1.00 10.00 C ATOM 45 CH2 TRP A 4 -17.753 -5.281 7.476 1.00 10.00 C ATOM 0 H TRP A 4 -18.613 1.191 3.515 1.00 10.00 H new ATOM 0 HA TRP A 4 -18.003 -0.959 5.542 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -20.397 -0.723 4.001 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -19.393 -1.802 3.052 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -22.038 -2.562 4.868 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -21.854 -4.516 6.546 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -16.952 -2.730 5.360 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -19.755 -5.944 7.906 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -15.892 -4.397 6.853 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -17.284 -6.007 8.124 1.00 10.00 H new ATOM 56 N LEU A 5 -17.050 -2.158 3.050 1.00 10.00 N ATOM 57 CA LEU A 5 -15.900 -2.541 2.161 1.00 10.00 C ATOM 58 C LEU A 5 -15.613 -1.461 1.103 1.00 10.00 C ATOM 59 O LEU A 5 -14.507 -1.359 0.609 1.00 10.00 O ATOM 60 CB LEU A 5 -16.324 -3.854 1.487 1.00 10.00 C ATOM 61 CG LEU A 5 -17.704 -3.694 0.829 1.00 10.00 C ATOM 62 CD1 LEU A 5 -17.576 -3.854 -0.686 1.00 10.00 C ATOM 63 CD2 LEU A 5 -18.654 -4.764 1.374 1.00 10.00 C ATOM 0 H LEU A 5 -17.768 -2.875 3.153 1.00 10.00 H new ATOM 0 HA LEU A 5 -14.981 -2.650 2.736 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -15.587 -4.140 0.737 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -16.356 -4.656 2.225 1.00 10.00 H new ATOM 0 HG LEU A 5 -18.098 -2.703 1.055 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -18.557 -3.740 -1.148 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -16.900 -3.093 -1.076 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -17.180 -4.843 -0.915 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -19.633 -4.652 0.909 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -18.256 -5.753 1.148 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -18.750 -4.649 2.454 1.00 10.00 H new ATOM 75 N ARG A 6 -16.592 -0.657 0.754 1.00 10.00 N ATOM 76 CA ARG A 6 -16.364 0.413 -0.271 1.00 10.00 C ATOM 77 C ARG A 6 -15.214 1.338 0.159 1.00 10.00 C ATOM 78 O ARG A 6 -14.371 1.695 -0.642 1.00 10.00 O ATOM 79 CB ARG A 6 -17.680 1.192 -0.342 1.00 10.00 C ATOM 80 CG ARG A 6 -18.715 0.377 -1.123 1.00 10.00 C ATOM 81 CD ARG A 6 -20.126 0.807 -0.710 1.00 10.00 C ATOM 82 NE ARG A 6 -20.788 1.233 -1.976 1.00 10.00 N ATOM 83 CZ ARG A 6 -21.134 2.481 -2.147 1.00 10.00 C ATOM 84 NH1 ARG A 6 -20.256 3.346 -2.583 1.00 10.00 N ATOM 85 NH2 ARG A 6 -22.356 2.861 -1.880 1.00 10.00 N ATOM 0 H ARG A 6 -17.538 -0.696 1.134 1.00 10.00 H new ATOM 0 HA ARG A 6 -16.086 -0.006 -1.238 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -18.047 1.398 0.663 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -17.519 2.155 -0.826 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -18.577 0.526 -2.194 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -18.577 -0.687 -0.929 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -20.667 -0.014 -0.239 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -20.094 1.623 0.012 1.00 10.00 H new ATOM 0 HE ARG A 6 -20.971 0.549 -2.710 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -19.303 3.046 -2.789 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -20.524 4.321 -2.717 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -23.038 2.183 -1.539 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -22.628 3.835 -2.013 1.00 10.00 H new ATOM 99 N ASP A 7 -15.171 1.723 1.413 1.00 10.00 N ATOM 100 CA ASP A 7 -14.071 2.621 1.887 1.00 10.00 C ATOM 101 C ASP A 7 -13.050 1.841 2.736 1.00 10.00 C ATOM 102 O ASP A 7 -11.925 2.274 2.903 1.00 10.00 O ATOM 103 CB ASP A 7 -14.767 3.715 2.714 1.00 10.00 C ATOM 104 CG ASP A 7 -14.959 3.260 4.166 1.00 10.00 C ATOM 105 OD1 ASP A 7 -15.757 2.367 4.387 1.00 10.00 O ATOM 106 OD2 ASP A 7 -14.318 3.829 5.036 1.00 10.00 O ATOM 0 H ASP A 7 -15.849 1.455 2.127 1.00 10.00 H new ATOM 0 HA ASP A 7 -13.507 3.046 1.056 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -14.173 4.629 2.690 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -15.734 3.952 2.271 1.00 10.00 H new ATOM 111 N ILE A 8 -13.424 0.698 3.270 1.00 10.00 N ATOM 112 CA ILE A 8 -12.458 -0.091 4.101 1.00 10.00 C ATOM 113 C ILE A 8 -11.280 -0.571 3.232 1.00 10.00 C ATOM 114 O ILE A 8 -10.161 -0.671 3.694 1.00 10.00 O ATOM 115 CB ILE A 8 -13.275 -1.267 4.676 1.00 10.00 C ATOM 116 CG1 ILE A 8 -12.937 -1.442 6.160 1.00 10.00 C ATOM 117 CG2 ILE A 8 -12.961 -2.570 3.931 1.00 10.00 C ATOM 118 CD1 ILE A 8 -14.094 -0.922 7.016 1.00 10.00 C ATOM 0 H ILE A 8 -14.349 0.282 3.166 1.00 10.00 H new ATOM 0 HA ILE A 8 -12.017 0.499 4.905 1.00 10.00 H new ATOM 0 HB ILE A 8 -14.335 -1.043 4.554 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -12.753 -2.494 6.380 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -12.022 -0.901 6.401 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -13.550 -3.383 4.356 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -13.209 -2.455 2.876 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -11.900 -2.800 4.031 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -13.851 -1.048 8.071 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -14.257 0.135 6.804 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -14.999 -1.482 6.783 1.00 10.00 H new ATOM 130 N TRP A 9 -11.518 -0.853 1.974 1.00 10.00 N ATOM 131 CA TRP A 9 -10.398 -1.300 1.091 1.00 10.00 C ATOM 132 C TRP A 9 -9.521 -0.093 0.730 1.00 10.00 C ATOM 133 O TRP A 9 -8.320 -0.216 0.566 1.00 10.00 O ATOM 134 CB TRP A 9 -11.061 -1.887 -0.161 1.00 10.00 C ATOM 135 CG TRP A 9 -11.510 -3.294 0.108 1.00 10.00 C ATOM 136 CD1 TRP A 9 -10.905 -4.162 0.956 1.00 10.00 C ATOM 137 CD2 TRP A 9 -12.643 -4.010 -0.464 1.00 10.00 C ATOM 138 NE1 TRP A 9 -11.598 -5.359 0.942 1.00 10.00 N ATOM 139 CE2 TRP A 9 -12.676 -5.315 0.081 1.00 10.00 C ATOM 140 CE3 TRP A 9 -13.637 -3.655 -1.394 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -13.661 -6.236 -0.283 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -14.628 -4.579 -1.763 1.00 10.00 C ATOM 143 CH2 TRP A 9 -14.640 -5.866 -1.209 1.00 10.00 C ATOM 0 H TRP A 9 -12.432 -0.793 1.524 1.00 10.00 H new ATOM 0 HA TRP A 9 -9.757 -2.037 1.575 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -11.914 -1.274 -0.452 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -10.359 -1.874 -0.995 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -10.025 -3.953 1.546 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -11.344 -6.174 1.500 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -13.638 -2.666 -1.827 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -13.666 -7.226 0.148 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -15.386 -4.296 -2.478 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -15.405 -6.571 -1.497 1.00 10.00 H new ATOM 154 N ASP A 10 -10.114 1.077 0.626 1.00 10.00 N ATOM 155 CA ASP A 10 -9.316 2.298 0.298 1.00 10.00 C ATOM 156 C ASP A 10 -8.406 2.651 1.478 1.00 10.00 C ATOM 157 O ASP A 10 -7.228 2.899 1.303 1.00 10.00 O ATOM 158 CB ASP A 10 -10.346 3.410 0.057 1.00 10.00 C ATOM 159 CG ASP A 10 -9.624 4.752 -0.109 1.00 10.00 C ATOM 160 OD1 ASP A 10 -8.791 4.851 -0.996 1.00 10.00 O ATOM 161 OD2 ASP A 10 -9.915 5.658 0.657 1.00 10.00 O ATOM 0 H ASP A 10 -11.113 1.235 0.754 1.00 10.00 H new ATOM 0 HA ASP A 10 -8.677 2.153 -0.573 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -10.933 3.189 -0.834 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -11.043 3.462 0.893 1.00 10.00 H new ATOM 166 N TRP A 11 -8.939 2.662 2.679 1.00 10.00 N ATOM 167 CA TRP A 11 -8.095 2.986 3.873 1.00 10.00 C ATOM 168 C TRP A 11 -6.923 1.991 3.956 1.00 10.00 C ATOM 169 O TRP A 11 -5.817 2.351 4.316 1.00 10.00 O ATOM 170 CB TRP A 11 -9.053 2.890 5.086 1.00 10.00 C ATOM 171 CG TRP A 11 -8.745 1.701 5.950 1.00 10.00 C ATOM 172 CD1 TRP A 11 -9.534 0.611 6.071 1.00 10.00 C ATOM 173 CD2 TRP A 11 -7.596 1.468 6.819 1.00 10.00 C ATOM 174 NE1 TRP A 11 -8.944 -0.278 6.946 1.00 10.00 N ATOM 175 CE2 TRP A 11 -7.747 0.204 7.436 1.00 10.00 C ATOM 176 CE3 TRP A 11 -6.446 2.219 7.124 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -6.794 -0.296 8.323 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -5.486 1.719 8.018 1.00 10.00 C ATOM 179 CH2 TRP A 11 -5.660 0.464 8.616 1.00 10.00 C ATOM 0 H TRP A 11 -9.918 2.461 2.882 1.00 10.00 H new ATOM 0 HA TRP A 11 -7.644 3.977 3.830 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.978 3.800 5.681 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -10.082 2.825 4.732 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -10.476 0.460 5.564 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -9.344 -1.181 7.200 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.301 3.187 6.667 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -6.932 -1.265 8.780 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -4.608 2.305 8.246 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -4.918 0.085 9.303 1.00 10.00 H new ATOM 190 N ILE A 12 -7.155 0.748 3.601 1.00 10.00 N ATOM 191 CA ILE A 12 -6.055 -0.263 3.635 1.00 10.00 C ATOM 192 C ILE A 12 -5.019 0.063 2.549 1.00 10.00 C ATOM 193 O ILE A 12 -3.831 -0.084 2.754 1.00 10.00 O ATOM 194 CB ILE A 12 -6.742 -1.611 3.362 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.376 -2.134 4.657 1.00 10.00 C ATOM 196 CG2 ILE A 12 -5.722 -2.633 2.850 1.00 10.00 C ATOM 197 CD1 ILE A 12 -6.294 -2.320 5.727 1.00 10.00 C ATOM 0 H ILE A 12 -8.059 0.393 3.290 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.522 -0.276 4.586 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.512 -1.466 2.604 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -8.133 -1.434 5.010 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.881 -3.082 4.469 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -6.222 -3.583 2.661 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -5.274 -2.268 1.926 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -4.943 -2.776 3.599 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -6.750 -2.692 6.645 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -5.553 -3.037 5.374 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.809 -1.364 5.924 1.00 10.00 H new ATOM 209 N CYS A 13 -5.465 0.513 1.402 1.00 10.00 N ATOM 210 CA CYS A 13 -4.506 0.859 0.306 1.00 10.00 C ATOM 211 C CYS A 13 -3.629 2.051 0.720 1.00 10.00 C ATOM 212 O CYS A 13 -2.474 2.140 0.347 1.00 10.00 O ATOM 213 CB CYS A 13 -5.384 1.227 -0.893 1.00 10.00 C ATOM 214 SG CYS A 13 -4.416 1.088 -2.417 1.00 10.00 S ATOM 0 H CYS A 13 -6.450 0.656 1.177 1.00 10.00 H new ATOM 0 HA CYS A 13 -3.830 0.035 0.077 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.250 0.567 -0.939 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -5.763 2.243 -0.782 1.00 10.00 H new ATOM 0 HG CYS A 13 -5.162 1.399 -3.435 1.00 10.00 H new ATOM 220 N GLU A 14 -4.170 2.962 1.493 1.00 10.00 N ATOM 221 CA GLU A 14 -3.376 4.149 1.942 1.00 10.00 C ATOM 222 C GLU A 14 -2.304 3.720 2.957 1.00 10.00 C ATOM 223 O GLU A 14 -1.147 4.073 2.833 1.00 10.00 O ATOM 224 CB GLU A 14 -4.399 5.086 2.595 1.00 10.00 C ATOM 225 CG GLU A 14 -3.783 6.476 2.799 1.00 10.00 C ATOM 226 CD GLU A 14 -4.061 7.352 1.573 1.00 10.00 C ATOM 227 OE1 GLU A 14 -5.180 7.823 1.445 1.00 10.00 O ATOM 228 OE2 GLU A 14 -3.147 7.539 0.786 1.00 10.00 O ATOM 0 H GLU A 14 -5.131 2.934 1.833 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.851 4.632 1.118 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -5.287 5.161 1.968 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -4.719 4.677 3.553 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -4.200 6.941 3.692 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -2.708 6.388 2.958 1.00 10.00 H new ATOM 235 N VAL A 15 -2.685 2.960 3.956 1.00 10.00 N ATOM 236 CA VAL A 15 -1.694 2.506 4.986 1.00 10.00 C ATOM 237 C VAL A 15 -0.691 1.501 4.386 1.00 10.00 C ATOM 238 O VAL A 15 0.440 1.417 4.824 1.00 10.00 O ATOM 239 CB VAL A 15 -2.535 1.860 6.101 1.00 10.00 C ATOM 240 CG1 VAL A 15 -3.157 0.548 5.613 1.00 10.00 C ATOM 241 CG2 VAL A 15 -1.643 1.573 7.311 1.00 10.00 C ATOM 0 H VAL A 15 -3.640 2.634 4.104 1.00 10.00 H new ATOM 0 HA VAL A 15 -1.095 3.334 5.364 1.00 10.00 H new ATOM 0 HB VAL A 15 -3.333 2.548 6.380 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -3.748 0.105 6.415 1.00 10.00 H new ATOM 0 HG12 VAL A 15 -3.800 0.747 4.755 1.00 10.00 H new ATOM 0 HG13 VAL A 15 -2.366 -0.143 5.321 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.238 1.115 8.101 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -0.842 0.893 7.020 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -1.212 2.506 7.675 1.00 10.00 H new ATOM 251 N LEU A 16 -1.089 0.741 3.391 1.00 10.00 N ATOM 252 CA LEU A 16 -0.145 -0.248 2.779 1.00 10.00 C ATOM 253 C LEU A 16 0.829 0.461 1.831 1.00 10.00 C ATOM 254 O LEU A 16 1.995 0.121 1.769 1.00 10.00 O ATOM 255 CB LEU A 16 -1.027 -1.241 2.005 1.00 10.00 C ATOM 256 CG LEU A 16 -0.578 -2.686 2.274 1.00 10.00 C ATOM 257 CD1 LEU A 16 0.906 -2.851 1.932 1.00 10.00 C ATOM 258 CD2 LEU A 16 -0.803 -3.035 3.749 1.00 10.00 C ATOM 0 H LEU A 16 -2.022 0.763 2.979 1.00 10.00 H new ATOM 0 HA LEU A 16 0.457 -0.753 3.534 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.069 -1.117 2.300 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -0.971 -1.030 0.937 1.00 10.00 H new ATOM 0 HG LEU A 16 -1.166 -3.357 1.648 1.00 10.00 H new ATOM 0 HD11 LEU A 16 1.212 -3.879 2.127 1.00 10.00 H new ATOM 0 HD12 LEU A 16 1.065 -2.618 0.879 1.00 10.00 H new ATOM 0 HD13 LEU A 16 1.499 -2.173 2.547 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -0.483 -4.060 3.933 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -0.225 -2.356 4.376 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -1.862 -2.937 3.989 1.00 10.00 H new ATOM 270 N SER A 17 0.366 1.444 1.094 1.00 10.00 N ATOM 271 CA SER A 17 1.279 2.172 0.155 1.00 10.00 C ATOM 272 C SER A 17 2.357 2.923 0.940 1.00 10.00 C ATOM 273 O SER A 17 3.523 2.882 0.593 1.00 10.00 O ATOM 274 CB SER A 17 0.385 3.149 -0.610 1.00 10.00 C ATOM 275 OG SER A 17 -0.148 2.494 -1.754 1.00 10.00 O ATOM 0 H SER A 17 -0.600 1.772 1.102 1.00 10.00 H new ATOM 0 HA SER A 17 1.797 1.491 -0.521 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.422 3.501 0.032 1.00 10.00 H new ATOM 0 HB3 SER A 17 0.958 4.026 -0.912 1.00 10.00 H new ATOM 0 HG SER A 17 -1.033 2.132 -1.541 1.00 10.00 H new ATOM 281 N ASP A 18 1.983 3.596 2.004 1.00 10.00 N ATOM 282 CA ASP A 18 2.999 4.330 2.821 1.00 10.00 C ATOM 283 C ASP A 18 4.022 3.332 3.378 1.00 10.00 C ATOM 284 O ASP A 18 5.203 3.617 3.457 1.00 10.00 O ATOM 285 CB ASP A 18 2.211 4.992 3.958 1.00 10.00 C ATOM 286 CG ASP A 18 2.031 6.481 3.655 1.00 10.00 C ATOM 287 OD1 ASP A 18 2.953 7.235 3.918 1.00 10.00 O ATOM 288 OD2 ASP A 18 0.974 6.840 3.162 1.00 10.00 O ATOM 0 H ASP A 18 1.022 3.668 2.339 1.00 10.00 H new ATOM 0 HA ASP A 18 3.548 5.070 2.238 1.00 10.00 H new ATOM 0 HB2 ASP A 18 1.238 4.512 4.068 1.00 10.00 H new ATOM 0 HB3 ASP A 18 2.739 4.864 4.903 1.00 10.00 H new ATOM 293 N PHE A 19 3.571 2.156 3.744 1.00 10.00 N ATOM 294 CA PHE A 19 4.506 1.118 4.277 1.00 10.00 C ATOM 295 C PHE A 19 5.356 0.546 3.134 1.00 10.00 C ATOM 296 O PHE A 19 6.530 0.275 3.303 1.00 10.00 O ATOM 297 CB PHE A 19 3.602 0.033 4.875 1.00 10.00 C ATOM 298 CG PHE A 19 4.204 -0.475 6.163 1.00 10.00 C ATOM 299 CD1 PHE A 19 5.388 -1.222 6.138 1.00 10.00 C ATOM 300 CD2 PHE A 19 3.577 -0.199 7.385 1.00 10.00 C ATOM 301 CE1 PHE A 19 5.945 -1.693 7.333 1.00 10.00 C ATOM 302 CE2 PHE A 19 4.135 -0.669 8.580 1.00 10.00 C ATOM 303 CZ PHE A 19 5.319 -1.416 8.554 1.00 10.00 C ATOM 0 H PHE A 19 2.593 1.871 3.696 1.00 10.00 H new ATOM 0 HA PHE A 19 5.196 1.521 5.019 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.607 0.437 5.061 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.486 -0.788 4.168 1.00 10.00 H new ATOM 0 HD1 PHE A 19 5.872 -1.435 5.196 1.00 10.00 H new ATOM 0 HD2 PHE A 19 2.663 0.376 7.405 1.00 10.00 H new ATOM 0 HE1 PHE A 19 6.858 -2.270 7.313 1.00 10.00 H new ATOM 0 HE2 PHE A 19 3.652 -0.455 9.522 1.00 10.00 H new ATOM 0 HZ PHE A 19 5.749 -1.778 9.476 1.00 10.00 H new ATOM 313 N LYS A 20 4.769 0.371 1.970 1.00 10.00 N ATOM 314 CA LYS A 20 5.540 -0.173 0.807 1.00 10.00 C ATOM 315 C LYS A 20 6.711 0.759 0.471 1.00 10.00 C ATOM 316 O LYS A 20 7.827 0.317 0.275 1.00 10.00 O ATOM 317 CB LYS A 20 4.538 -0.221 -0.353 1.00 10.00 C ATOM 318 CG LYS A 20 5.001 -1.246 -1.392 1.00 10.00 C ATOM 319 CD LYS A 20 4.215 -2.548 -1.216 1.00 10.00 C ATOM 320 CE LYS A 20 5.117 -3.742 -1.545 1.00 10.00 C ATOM 321 NZ LYS A 20 4.189 -4.894 -1.730 1.00 10.00 N ATOM 0 H LYS A 20 3.790 0.582 1.778 1.00 10.00 H new ATOM 0 HA LYS A 20 5.963 -1.156 1.015 1.00 10.00 H new ATOM 0 HB2 LYS A 20 3.549 -0.487 0.019 1.00 10.00 H new ATOM 0 HB3 LYS A 20 4.451 0.764 -0.813 1.00 10.00 H new ATOM 0 HG2 LYS A 20 4.851 -0.852 -2.397 1.00 10.00 H new ATOM 0 HG3 LYS A 20 6.068 -1.436 -1.280 1.00 10.00 H new ATOM 0 HD2 LYS A 20 3.848 -2.628 -0.193 1.00 10.00 H new ATOM 0 HD3 LYS A 20 3.342 -2.548 -1.868 1.00 10.00 H new ATOM 0 HE2 LYS A 20 5.701 -3.558 -2.447 1.00 10.00 H new ATOM 0 HE3 LYS A 20 5.826 -3.933 -0.740 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 4.737 -5.748 -1.958 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 3.652 -5.051 -0.854 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 3.530 -4.688 -2.508 1.00 10.00 H new ATOM 335 N THR A 21 6.462 2.046 0.418 1.00 10.00 N ATOM 336 CA THR A 21 7.558 3.020 0.113 1.00 10.00 C ATOM 337 C THR A 21 8.631 2.953 1.208 1.00 10.00 C ATOM 338 O THR A 21 9.815 2.976 0.928 1.00 10.00 O ATOM 339 CB THR A 21 6.878 4.395 0.093 1.00 10.00 C ATOM 340 OG1 THR A 21 5.951 4.442 -0.981 1.00 10.00 O ATOM 341 CG2 THR A 21 7.925 5.496 -0.093 1.00 10.00 C ATOM 0 H THR A 21 5.545 2.465 0.573 1.00 10.00 H new ATOM 0 HA THR A 21 8.056 2.808 -0.833 1.00 10.00 H new ATOM 0 HB THR A 21 6.360 4.552 1.039 1.00 10.00 H new ATOM 0 HG1 THR A 21 5.115 4.007 -0.711 1.00 10.00 H new ATOM 0 HG21 THR A 21 7.432 6.468 -0.106 1.00 10.00 H new ATOM 0 HG22 THR A 21 8.639 5.462 0.730 1.00 10.00 H new ATOM 0 HG23 THR A 21 8.450 5.343 -1.036 1.00 10.00 H new ATOM 349 N TRP A 22 8.220 2.856 2.452 1.00 10.00 N ATOM 350 CA TRP A 22 9.206 2.770 3.574 1.00 10.00 C ATOM 351 C TRP A 22 10.088 1.524 3.400 1.00 10.00 C ATOM 352 O TRP A 22 11.283 1.573 3.612 1.00 10.00 O ATOM 353 CB TRP A 22 8.352 2.666 4.845 1.00 10.00 C ATOM 354 CG TRP A 22 9.237 2.588 6.052 1.00 10.00 C ATOM 355 CD1 TRP A 22 9.572 3.634 6.842 1.00 10.00 C ATOM 356 CD2 TRP A 22 9.896 1.420 6.620 1.00 10.00 C ATOM 357 NE1 TRP A 22 10.395 3.182 7.859 1.00 10.00 N ATOM 358 CE2 TRP A 22 10.625 1.823 7.764 1.00 10.00 C ATOM 359 CE3 TRP A 22 9.933 0.064 6.257 1.00 10.00 C ATOM 360 CZ2 TRP A 22 11.362 0.910 8.520 1.00 10.00 C ATOM 361 CZ3 TRP A 22 10.673 -0.858 7.012 1.00 10.00 C ATOM 362 CH2 TRP A 22 11.386 -0.436 8.141 1.00 10.00 C ATOM 0 H TRP A 22 7.241 2.833 2.737 1.00 10.00 H new ATOM 0 HA TRP A 22 9.877 3.629 3.611 1.00 10.00 H new ATOM 0 HB2 TRP A 22 7.693 3.531 4.922 1.00 10.00 H new ATOM 0 HB3 TRP A 22 7.715 1.783 4.794 1.00 10.00 H new ATOM 0 HD1 TRP A 22 9.250 4.655 6.702 1.00 10.00 H new ATOM 0 HE1 TRP A 22 10.784 3.779 8.589 1.00 10.00 H new ATOM 0 HE3 TRP A 22 9.387 -0.272 5.388 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 11.909 1.240 9.391 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 10.693 -1.898 6.721 1.00 10.00 H new ATOM 0 HH2 TRP A 22 11.954 -1.150 8.719 1.00 10.00 H new ATOM 373 N LEU A 23 9.503 0.414 3.010 1.00 10.00 N ATOM 374 CA LEU A 23 10.306 -0.837 2.812 1.00 10.00 C ATOM 375 C LEU A 23 11.350 -0.622 1.709 1.00 10.00 C ATOM 376 O LEU A 23 12.510 -0.949 1.872 1.00 10.00 O ATOM 377 CB LEU A 23 9.292 -1.912 2.388 1.00 10.00 C ATOM 378 CG LEU A 23 9.090 -2.938 3.514 1.00 10.00 C ATOM 379 CD1 LEU A 23 10.444 -3.475 3.989 1.00 10.00 C ATOM 380 CD2 LEU A 23 8.360 -2.280 4.689 1.00 10.00 C ATOM 0 H LEU A 23 8.505 0.321 2.821 1.00 10.00 H new ATOM 0 HA LEU A 23 10.844 -1.125 3.715 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.339 -1.444 2.140 1.00 10.00 H new ATOM 0 HB3 LEU A 23 9.643 -2.416 1.488 1.00 10.00 H new ATOM 0 HG LEU A 23 8.493 -3.766 3.132 1.00 10.00 H new ATOM 0 HD11 LEU A 23 10.288 -4.201 4.787 1.00 10.00 H new ATOM 0 HD12 LEU A 23 10.957 -3.956 3.156 1.00 10.00 H new ATOM 0 HD13 LEU A 23 11.052 -2.651 4.362 1.00 10.00 H new ATOM 0 HD21 LEU A 23 8.219 -3.011 5.485 1.00 10.00 H new ATOM 0 HD22 LEU A 23 8.952 -1.445 5.064 1.00 10.00 H new ATOM 0 HD23 LEU A 23 7.389 -1.915 4.355 1.00 10.00 H new ATOM 392 N LYS A 24 10.942 -0.067 0.591 1.00 10.00 N ATOM 393 CA LYS A 24 11.908 0.183 -0.525 1.00 10.00 C ATOM 394 C LYS A 24 12.959 1.210 -0.084 1.00 10.00 C ATOM 395 O LYS A 24 14.145 1.018 -0.276 1.00 10.00 O ATOM 396 CB LYS A 24 11.056 0.740 -1.672 1.00 10.00 C ATOM 397 CG LYS A 24 11.887 0.786 -2.960 1.00 10.00 C ATOM 398 CD LYS A 24 11.982 2.231 -3.460 1.00 10.00 C ATOM 399 CE LYS A 24 10.690 2.612 -4.193 1.00 10.00 C ATOM 400 NZ LYS A 24 10.960 2.340 -5.637 1.00 10.00 N ATOM 0 H LYS A 24 9.982 0.223 0.404 1.00 10.00 H new ATOM 0 HA LYS A 24 12.445 -0.718 -0.822 1.00 10.00 H new ATOM 0 HB2 LYS A 24 10.175 0.116 -1.819 1.00 10.00 H new ATOM 0 HB3 LYS A 24 10.701 1.740 -1.421 1.00 10.00 H new ATOM 0 HG2 LYS A 24 12.885 0.388 -2.775 1.00 10.00 H new ATOM 0 HG3 LYS A 24 11.429 0.156 -3.723 1.00 10.00 H new ATOM 0 HD2 LYS A 24 12.147 2.906 -2.620 1.00 10.00 H new ATOM 0 HD3 LYS A 24 12.836 2.339 -4.129 1.00 10.00 H new ATOM 0 HE2 LYS A 24 9.846 2.024 -3.833 1.00 10.00 H new ATOM 0 HE3 LYS A 24 10.440 3.660 -4.030 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 10.118 2.578 -6.199 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 11.763 2.919 -5.955 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 11.187 1.333 -5.764 1.00 10.00 H new ATOM 414 N ALA A 25 12.526 2.294 0.515 1.00 10.00 N ATOM 415 CA ALA A 25 13.487 3.339 0.985 1.00 10.00 C ATOM 416 C ALA A 25 14.422 2.763 2.059 1.00 10.00 C ATOM 417 O ALA A 25 15.563 3.165 2.176 1.00 10.00 O ATOM 418 CB ALA A 25 12.613 4.449 1.575 1.00 10.00 C ATOM 0 H ALA A 25 11.544 2.499 0.699 1.00 10.00 H new ATOM 0 HA ALA A 25 14.121 3.705 0.177 1.00 10.00 H new ATOM 0 HB1 ALA A 25 13.248 5.255 1.943 1.00 10.00 H new ATOM 0 HB2 ALA A 25 11.946 4.835 0.804 1.00 10.00 H new ATOM 0 HB3 ALA A 25 12.022 4.048 2.399 1.00 10.00 H new ATOM 424 N LYS A 26 13.945 1.821 2.840 1.00 10.00 N ATOM 425 CA LYS A 26 14.804 1.214 3.903 1.00 10.00 C ATOM 426 C LYS A 26 15.876 0.314 3.273 1.00 10.00 C ATOM 427 O LYS A 26 16.986 0.232 3.762 1.00 10.00 O ATOM 428 CB LYS A 26 13.849 0.387 4.770 1.00 10.00 C ATOM 429 CG LYS A 26 14.515 0.067 6.111 1.00 10.00 C ATOM 430 CD LYS A 26 14.528 1.323 6.985 1.00 10.00 C ATOM 431 CE LYS A 26 15.170 0.999 8.338 1.00 10.00 C ATOM 432 NZ LYS A 26 15.692 2.302 8.842 1.00 10.00 N ATOM 0 H LYS A 26 12.997 1.448 2.785 1.00 10.00 H new ATOM 0 HA LYS A 26 15.329 1.971 4.487 1.00 10.00 H new ATOM 0 HB2 LYS A 26 12.923 0.938 4.935 1.00 10.00 H new ATOM 0 HB3 LYS A 26 13.583 -0.536 4.256 1.00 10.00 H new ATOM 0 HG2 LYS A 26 13.975 -0.735 6.615 1.00 10.00 H new ATOM 0 HG3 LYS A 26 15.533 -0.287 5.949 1.00 10.00 H new ATOM 0 HD2 LYS A 26 15.084 2.119 6.488 1.00 10.00 H new ATOM 0 HD3 LYS A 26 13.511 1.688 7.131 1.00 10.00 H new ATOM 0 HE2 LYS A 26 14.442 0.573 9.028 1.00 10.00 H new ATOM 0 HE3 LYS A 26 15.972 0.269 8.229 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 16.146 2.160 9.767 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 16.388 2.681 8.169 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 14.906 2.975 8.943 1.00 10.00 H new ATOM 446 N LEU A 27 15.550 -0.357 2.194 1.00 10.00 N ATOM 447 CA LEU A 27 16.549 -1.251 1.528 1.00 10.00 C ATOM 448 C LEU A 27 17.601 -0.412 0.792 1.00 10.00 C ATOM 449 O LEU A 27 18.769 -0.446 1.126 1.00 10.00 O ATOM 450 CB LEU A 27 15.739 -2.096 0.535 1.00 10.00 C ATOM 451 CG LEU A 27 15.641 -3.536 1.046 1.00 10.00 C ATOM 452 CD1 LEU A 27 14.477 -3.652 2.033 1.00 10.00 C ATOM 453 CD2 LEU A 27 15.403 -4.481 -0.135 1.00 10.00 C ATOM 0 H LEU A 27 14.634 -0.324 1.746 1.00 10.00 H new ATOM 0 HA LEU A 27 17.084 -1.875 2.244 1.00 10.00 H new ATOM 0 HB2 LEU A 27 14.741 -1.674 0.412 1.00 10.00 H new ATOM 0 HB3 LEU A 27 16.215 -2.079 -0.445 1.00 10.00 H new ATOM 0 HG LEU A 27 16.570 -3.806 1.548 1.00 10.00 H new ATOM 0 HD11 LEU A 27 14.408 -4.678 2.396 1.00 10.00 H new ATOM 0 HD12 LEU A 27 14.645 -2.980 2.874 1.00 10.00 H new ATOM 0 HD13 LEU A 27 13.547 -3.381 1.533 1.00 10.00 H new ATOM 0 HD21 LEU A 27 15.333 -5.506 0.228 1.00 10.00 H new ATOM 0 HD22 LEU A 27 14.474 -4.210 -0.637 1.00 10.00 H new ATOM 0 HD23 LEU A 27 16.232 -4.401 -0.838 1.00 10.00 H new ATOM 465 N MET A 28 17.186 0.344 -0.204 1.00 10.00 N ATOM 466 CA MET A 28 18.144 1.202 -0.979 1.00 10.00 C ATOM 467 C MET A 28 19.273 0.350 -1.588 1.00 10.00 C ATOM 468 O MET A 28 20.316 0.174 -0.984 1.00 10.00 O ATOM 469 CB MET A 28 18.699 2.213 0.035 1.00 10.00 C ATOM 470 CG MET A 28 18.726 3.608 -0.594 1.00 10.00 C ATOM 471 SD MET A 28 17.040 4.257 -0.701 1.00 10.00 S ATOM 472 CE MET A 28 17.454 5.852 -1.450 1.00 10.00 C ATOM 0 H MET A 28 16.216 0.402 -0.514 1.00 10.00 H new ATOM 0 HA MET A 28 17.655 1.701 -1.815 1.00 10.00 H new ATOM 0 HB2 MET A 28 18.081 2.220 0.933 1.00 10.00 H new ATOM 0 HB3 MET A 28 19.704 1.922 0.342 1.00 10.00 H new ATOM 0 HG2 MET A 28 19.346 4.276 0.004 1.00 10.00 H new ATOM 0 HG3 MET A 28 19.173 3.562 -1.587 1.00 10.00 H new ATOM 0 HE1 MET A 28 16.542 6.428 -1.607 1.00 10.00 H new ATOM 0 HE2 MET A 28 18.121 6.403 -0.787 1.00 10.00 H new ATOM 0 HE3 MET A 28 17.948 5.687 -2.407 1.00 10.00 H new ATOM 482 N PRO A 29 19.026 -0.151 -2.778 1.00 10.00 N ATOM 483 CA PRO A 29 20.035 -0.989 -3.481 1.00 10.00 C ATOM 484 C PRO A 29 21.194 -0.121 -3.996 1.00 10.00 C ATOM 485 O PRO A 29 21.280 1.055 -3.694 1.00 10.00 O ATOM 486 CB PRO A 29 19.247 -1.598 -4.641 1.00 10.00 C ATOM 487 CG PRO A 29 18.119 -0.648 -4.887 1.00 10.00 C ATOM 488 CD PRO A 29 17.799 0.012 -3.571 1.00 10.00 C ATOM 0 HA PRO A 29 20.489 -1.743 -2.839 1.00 10.00 H new ATOM 0 HB2 PRO A 29 19.871 -1.707 -5.528 1.00 10.00 H new ATOM 0 HB3 PRO A 29 18.877 -2.592 -4.388 1.00 10.00 H new ATOM 0 HG2 PRO A 29 18.398 0.096 -5.633 1.00 10.00 H new ATOM 0 HG3 PRO A 29 17.248 -1.177 -5.274 1.00 10.00 H new ATOM 0 HD2 PRO A 29 17.548 1.064 -3.704 1.00 10.00 H new ATOM 0 HD3 PRO A 29 16.945 -0.461 -3.086 1.00 10.00 H new ATOM 496 N GLN A 30 22.083 -0.694 -4.773 1.00 10.00 N ATOM 497 CA GLN A 30 23.236 0.096 -5.310 1.00 10.00 C ATOM 498 C GLN A 30 22.726 1.234 -6.205 1.00 10.00 C ATOM 499 O GLN A 30 22.048 1.003 -7.190 1.00 10.00 O ATOM 500 CB GLN A 30 24.068 -0.902 -6.127 1.00 10.00 C ATOM 501 CG GLN A 30 25.549 -0.521 -6.047 1.00 10.00 C ATOM 502 CD GLN A 30 26.311 -1.184 -7.197 1.00 10.00 C ATOM 503 OE1 GLN A 30 26.905 -2.231 -7.022 1.00 10.00 O ATOM 504 NE2 GLN A 30 26.322 -0.618 -8.373 1.00 10.00 N ATOM 0 H GLN A 30 22.060 -1.673 -5.058 1.00 10.00 H new ATOM 0 HA GLN A 30 23.824 0.554 -4.515 1.00 10.00 H new ATOM 0 HB2 GLN A 30 23.921 -1.912 -5.745 1.00 10.00 H new ATOM 0 HB3 GLN A 30 23.738 -0.902 -7.166 1.00 10.00 H new ATOM 0 HG2 GLN A 30 25.660 0.562 -6.100 1.00 10.00 H new ATOM 0 HG3 GLN A 30 25.965 -0.838 -5.091 1.00 10.00 H new ATOM 0 HE21 GLN A 30 25.824 0.260 -8.521 1.00 10.00 H new ATOM 0 HE22 GLN A 30 26.828 -1.054 -9.144 1.00 10.00 H new ATOM 513 N LEU A 31 23.042 2.458 -5.863 1.00 10.00 N ATOM 514 CA LEU A 31 22.577 3.620 -6.683 1.00 10.00 C ATOM 515 C LEU A 31 23.642 4.727 -6.693 1.00 10.00 C ATOM 516 O LEU A 31 23.839 5.321 -7.741 1.00 10.00 O ATOM 517 CB LEU A 31 21.299 4.106 -5.992 1.00 10.00 C ATOM 518 CG LEU A 31 20.545 5.067 -6.918 1.00 10.00 C ATOM 519 CD1 LEU A 31 19.082 4.633 -7.029 1.00 10.00 C ATOM 520 CD2 LEU A 31 20.613 6.485 -6.344 1.00 10.00 C ATOM 521 OXT LEU A 31 24.239 4.964 -5.654 1.00 10.00 O ATOM 0 H LEU A 31 23.604 2.704 -5.048 1.00 10.00 H new ATOM 0 HA LEU A 31 22.399 3.346 -7.723 1.00 10.00 H new ATOM 0 HB2 LEU A 31 20.665 3.256 -5.740 1.00 10.00 H new ATOM 0 HB3 LEU A 31 21.548 4.607 -5.057 1.00 10.00 H new ATOM 0 HG LEU A 31 21.003 5.050 -7.907 1.00 10.00 H new ATOM 0 HD11 LEU A 31 18.548 5.318 -7.688 1.00 10.00 H new ATOM 0 HD12 LEU A 31 19.032 3.624 -7.437 1.00 10.00 H new ATOM 0 HD13 LEU A 31 18.622 4.648 -6.041 1.00 10.00 H new ATOM 0 HD21 LEU A 31 20.077 7.170 -7.001 1.00 10.00 H new ATOM 0 HD22 LEU A 31 20.156 6.499 -5.355 1.00 10.00 H new ATOM 0 HD23 LEU A 31 21.655 6.797 -6.267 1.00 10.00 H new TER 533 LEU A 31