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+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0359 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 146:sc= 0.0328 (180deg=-0.507) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0766 X(o=-0.077,f=-0.075) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -25.116 -2.479 -1.671 1.00 10.00 N ATOM 2 CA SER A 1 -23.682 -2.128 -1.440 1.00 10.00 C ATOM 3 C SER A 1 -23.296 -0.895 -2.268 1.00 10.00 C ATOM 4 O SER A 1 -23.417 -0.892 -3.479 1.00 10.00 O ATOM 5 CB SER A 1 -22.888 -3.352 -1.899 1.00 10.00 C ATOM 6 OG SER A 1 -22.971 -4.365 -0.905 1.00 10.00 O ATOM 0 H1 SER A 1 -25.364 -3.315 -1.105 1.00 10.00 H new ATOM 0 H2 SER A 1 -25.719 -1.679 -1.390 1.00 10.00 H new ATOM 0 H3 SER A 1 -25.264 -2.687 -2.679 1.00 10.00 H new ATOM 0 HA SER A 1 -23.484 -1.885 -0.396 1.00 10.00 H new ATOM 0 HB2 SER A 1 -23.282 -3.722 -2.845 1.00 10.00 H new ATOM 0 HB3 SER A 1 -21.847 -3.080 -2.072 1.00 10.00 H new ATOM 0 HG SER A 1 -22.465 -5.152 -1.197 1.00 10.00 H new ATOM 14 N GLY A 2 -22.835 0.147 -1.623 1.00 10.00 N ATOM 15 CA GLY A 2 -22.440 1.381 -2.367 1.00 10.00 C ATOM 16 C GLY A 2 -21.319 2.099 -1.612 1.00 10.00 C ATOM 17 O GLY A 2 -20.282 1.521 -1.340 1.00 10.00 O ATOM 0 H GLY A 2 -22.715 0.196 -0.611 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -22.107 1.121 -3.372 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -23.300 2.042 -2.477 1.00 10.00 H new ATOM 21 N SER A 3 -21.526 3.356 -1.273 1.00 10.00 N ATOM 22 CA SER A 3 -20.491 4.152 -0.528 1.00 10.00 C ATOM 23 C SER A 3 -19.223 4.348 -1.381 1.00 10.00 C ATOM 24 O SER A 3 -18.966 3.615 -2.319 1.00 10.00 O ATOM 25 CB SER A 3 -20.197 3.355 0.754 1.00 10.00 C ATOM 26 OG SER A 3 -18.815 3.454 1.084 1.00 10.00 O ATOM 0 H SER A 3 -22.381 3.870 -1.485 1.00 10.00 H new ATOM 0 HA SER A 3 -20.846 5.155 -0.293 1.00 10.00 H new ATOM 0 HB2 SER A 3 -20.804 3.736 1.576 1.00 10.00 H new ATOM 0 HB3 SER A 3 -20.472 2.310 0.613 1.00 10.00 H new ATOM 0 HG SER A 3 -18.637 2.945 1.902 1.00 10.00 H new ATOM 32 N TRP A 4 -18.434 5.343 -1.057 1.00 10.00 N ATOM 33 CA TRP A 4 -17.184 5.606 -1.839 1.00 10.00 C ATOM 34 C TRP A 4 -15.949 5.138 -1.057 1.00 10.00 C ATOM 35 O TRP A 4 -15.024 4.586 -1.624 1.00 10.00 O ATOM 36 CB TRP A 4 -17.152 7.124 -2.038 1.00 10.00 C ATOM 37 CG TRP A 4 -16.830 7.428 -3.464 1.00 10.00 C ATOM 38 CD1 TRP A 4 -17.740 7.568 -4.455 1.00 10.00 C ATOM 39 CD2 TRP A 4 -15.524 7.627 -4.077 1.00 10.00 C ATOM 40 NE1 TRP A 4 -17.077 7.840 -5.636 1.00 10.00 N ATOM 41 CE2 TRP A 4 -15.709 7.888 -5.455 1.00 10.00 C ATOM 42 CE3 TRP A 4 -14.210 7.607 -3.575 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -14.627 8.120 -6.306 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -13.120 7.842 -4.429 1.00 10.00 C ATOM 45 CH2 TRP A 4 -13.329 8.097 -5.792 1.00 10.00 C ATOM 0 H TRP A 4 -18.601 5.986 -0.283 1.00 10.00 H new ATOM 0 HA TRP A 4 -17.174 5.069 -2.787 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -18.115 7.558 -1.770 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -16.407 7.573 -1.381 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -18.811 7.481 -4.341 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -17.541 7.987 -6.532 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -14.038 7.410 -2.527 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -14.793 8.316 -7.355 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -12.115 7.826 -4.034 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -12.487 8.275 -6.444 1.00 10.00 H new ATOM 56 N LEU A 5 -15.928 5.353 0.238 1.00 10.00 N ATOM 57 CA LEU A 5 -14.753 4.916 1.058 1.00 10.00 C ATOM 58 C LEU A 5 -14.548 3.400 0.933 1.00 10.00 C ATOM 59 O LEU A 5 -13.429 2.923 0.906 1.00 10.00 O ATOM 60 CB LEU A 5 -15.101 5.296 2.501 1.00 10.00 C ATOM 61 CG LEU A 5 -13.813 5.445 3.318 1.00 10.00 C ATOM 62 CD1 LEU A 5 -13.237 6.850 3.117 1.00 10.00 C ATOM 63 CD2 LEU A 5 -14.122 5.232 4.802 1.00 10.00 C ATOM 0 H LEU A 5 -16.673 5.812 0.762 1.00 10.00 H new ATOM 0 HA LEU A 5 -13.828 5.388 0.728 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -15.663 6.230 2.516 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -15.739 4.532 2.945 1.00 10.00 H new ATOM 0 HG LEU A 5 -13.087 4.703 2.985 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -12.321 6.954 3.699 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -13.016 7.005 2.061 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -13.964 7.592 3.448 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -13.206 5.338 5.383 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -14.849 5.974 5.132 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -14.531 4.232 4.949 1.00 10.00 H new ATOM 75 N ARG A 6 -15.618 2.643 0.848 1.00 10.00 N ATOM 76 CA ARG A 6 -15.487 1.155 0.714 1.00 10.00 C ATOM 77 C ARG A 6 -14.642 0.808 -0.519 1.00 10.00 C ATOM 78 O ARG A 6 -13.790 -0.061 -0.472 1.00 10.00 O ATOM 79 CB ARG A 6 -16.919 0.638 0.547 1.00 10.00 C ATOM 80 CG ARG A 6 -16.933 -0.888 0.662 1.00 10.00 C ATOM 81 CD ARG A 6 -18.142 -1.451 -0.092 1.00 10.00 C ATOM 82 NE ARG A 6 -17.634 -2.671 -0.784 1.00 10.00 N ATOM 83 CZ ARG A 6 -17.664 -3.829 -0.178 1.00 10.00 C ATOM 84 NH1 ARG A 6 -18.790 -4.487 -0.083 1.00 10.00 N ATOM 85 NH2 ARG A 6 -16.568 -4.328 0.331 1.00 10.00 N ATOM 0 H ARG A 6 -16.576 2.991 0.866 1.00 10.00 H new ATOM 0 HA ARG A 6 -14.993 0.706 1.576 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -17.565 1.076 1.308 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -17.315 0.943 -0.421 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -16.012 -1.302 0.252 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -16.976 -1.183 1.710 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -18.955 -1.695 0.592 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -18.534 -0.727 -0.806 1.00 10.00 H new ATOM 0 HE ARG A 6 -17.263 -2.602 -1.731 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -19.644 -4.097 -0.482 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -18.814 -5.391 0.390 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -15.690 -3.814 0.255 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -16.591 -5.231 0.804 1.00 10.00 H new ATOM 99 N ASP A 7 -14.865 1.491 -1.617 1.00 10.00 N ATOM 100 CA ASP A 7 -14.070 1.214 -2.853 1.00 10.00 C ATOM 101 C ASP A 7 -12.595 1.568 -2.623 1.00 10.00 C ATOM 102 O ASP A 7 -11.705 0.885 -3.092 1.00 10.00 O ATOM 103 CB ASP A 7 -14.674 2.115 -3.932 1.00 10.00 C ATOM 104 CG ASP A 7 -13.973 1.854 -5.265 1.00 10.00 C ATOM 105 OD1 ASP A 7 -14.232 0.817 -5.855 1.00 10.00 O ATOM 106 OD2 ASP A 7 -13.185 2.692 -5.672 1.00 10.00 O ATOM 0 H ASP A 7 -15.564 2.228 -1.709 1.00 10.00 H new ATOM 0 HA ASP A 7 -14.107 0.162 -3.137 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -15.742 1.921 -4.027 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -14.564 3.162 -3.650 1.00 10.00 H new ATOM 111 N ILE A 8 -12.332 2.628 -1.897 1.00 10.00 N ATOM 112 CA ILE A 8 -10.915 3.022 -1.630 1.00 10.00 C ATOM 113 C ILE A 8 -10.288 2.078 -0.592 1.00 10.00 C ATOM 114 O ILE A 8 -9.091 1.867 -0.591 1.00 10.00 O ATOM 115 CB ILE A 8 -10.981 4.459 -1.088 1.00 10.00 C ATOM 116 CG1 ILE A 8 -11.722 5.367 -2.084 1.00 10.00 C ATOM 117 CG2 ILE A 8 -9.560 4.995 -0.881 1.00 10.00 C ATOM 118 CD1 ILE A 8 -11.169 5.157 -3.499 1.00 10.00 C ATOM 0 H ILE A 8 -13.037 3.236 -1.479 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.299 2.962 -2.527 1.00 10.00 H new ATOM 0 HB ILE A 8 -11.517 4.453 -0.139 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -12.789 5.146 -2.065 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -11.608 6.411 -1.791 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -9.608 6.014 -0.497 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -9.033 4.362 -0.167 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -9.027 4.991 -1.832 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -11.700 5.804 -4.197 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -10.107 5.401 -3.514 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -11.307 4.116 -3.793 1.00 10.00 H new ATOM 130 N TRP A 9 -11.086 1.511 0.286 1.00 10.00 N ATOM 131 CA TRP A 9 -10.536 0.579 1.325 1.00 10.00 C ATOM 132 C TRP A 9 -9.730 -0.549 0.664 1.00 10.00 C ATOM 133 O TRP A 9 -8.600 -0.810 1.037 1.00 10.00 O ATOM 134 CB TRP A 9 -11.761 0.016 2.052 1.00 10.00 C ATOM 135 CG TRP A 9 -11.354 -0.496 3.397 1.00 10.00 C ATOM 136 CD1 TRP A 9 -11.580 -1.750 3.851 1.00 10.00 C ATOM 137 CD2 TRP A 9 -10.657 0.208 4.467 1.00 10.00 C ATOM 138 NE1 TRP A 9 -11.064 -1.861 5.130 1.00 10.00 N ATOM 139 CE2 TRP A 9 -10.486 -0.682 5.554 1.00 10.00 C ATOM 140 CE3 TRP A 9 -10.161 1.517 4.599 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -9.847 -0.286 6.729 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -9.516 1.919 5.779 1.00 10.00 C ATOM 143 CH2 TRP A 9 -9.360 1.019 6.842 1.00 10.00 C ATOM 0 H TRP A 9 -12.095 1.654 0.327 1.00 10.00 H new ATOM 0 HA TRP A 9 -9.858 1.087 2.010 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.520 0.791 2.161 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.207 -0.787 1.466 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -12.081 -2.536 3.305 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -11.106 -2.711 5.692 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -10.277 2.219 3.786 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -9.729 -0.983 7.546 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -9.138 2.927 5.868 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -8.864 1.334 7.748 1.00 10.00 H new ATOM 154 N ASP A 10 -10.295 -1.209 -0.320 1.00 10.00 N ATOM 155 CA ASP A 10 -9.549 -2.308 -1.011 1.00 10.00 C ATOM 156 C ASP A 10 -8.308 -1.731 -1.704 1.00 10.00 C ATOM 157 O ASP A 10 -7.240 -2.312 -1.666 1.00 10.00 O ATOM 158 CB ASP A 10 -10.526 -2.885 -2.040 1.00 10.00 C ATOM 159 CG ASP A 10 -10.004 -4.236 -2.535 1.00 10.00 C ATOM 160 OD1 ASP A 10 -10.163 -5.211 -1.818 1.00 10.00 O ATOM 161 OD2 ASP A 10 -9.457 -4.273 -3.624 1.00 10.00 O ATOM 0 H ASP A 10 -11.236 -1.035 -0.673 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.206 -3.076 -0.318 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.513 -3.006 -1.593 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.637 -2.197 -2.878 1.00 10.00 H new ATOM 166 N TRP A 11 -8.444 -0.579 -2.321 1.00 10.00 N ATOM 167 CA TRP A 11 -7.276 0.061 -3.001 1.00 10.00 C ATOM 168 C TRP A 11 -6.169 0.336 -1.973 1.00 10.00 C ATOM 169 O TRP A 11 -4.999 0.135 -2.242 1.00 10.00 O ATOM 170 CB TRP A 11 -7.829 1.370 -3.582 1.00 10.00 C ATOM 171 CG TRP A 11 -6.734 2.143 -4.250 1.00 10.00 C ATOM 172 CD1 TRP A 11 -6.389 2.037 -5.553 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.844 3.142 -3.671 1.00 10.00 C ATOM 174 NE1 TRP A 11 -5.344 2.907 -5.812 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.972 3.608 -4.682 1.00 10.00 C ATOM 176 CE3 TRP A 11 -5.709 3.681 -2.380 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -4.000 4.577 -4.422 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -4.734 4.655 -2.113 1.00 10.00 C ATOM 179 CH2 TRP A 11 -3.881 5.101 -3.132 1.00 10.00 C ATOM 0 H TRP A 11 -9.317 -0.055 -2.382 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.839 -0.567 -3.777 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.620 1.152 -4.299 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.275 1.969 -2.788 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -6.853 1.381 -6.274 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -4.903 3.017 -6.725 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.360 3.343 -1.587 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -3.346 4.918 -5.211 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -4.641 5.063 -1.117 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -3.132 5.850 -2.920 1.00 10.00 H new ATOM 190 N ILE A 12 -6.536 0.775 -0.790 1.00 10.00 N ATOM 191 CA ILE A 12 -5.508 1.039 0.267 1.00 10.00 C ATOM 192 C ILE A 12 -4.800 -0.275 0.625 1.00 10.00 C ATOM 193 O ILE A 12 -3.605 -0.301 0.855 1.00 10.00 O ATOM 194 CB ILE A 12 -6.290 1.587 1.471 1.00 10.00 C ATOM 195 CG1 ILE A 12 -6.810 2.992 1.149 1.00 10.00 C ATOM 196 CG2 ILE A 12 -5.372 1.661 2.698 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.025 3.302 2.027 1.00 10.00 C ATOM 0 H ILE A 12 -7.500 0.961 -0.513 1.00 10.00 H new ATOM 0 HA ILE A 12 -4.742 1.744 -0.057 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.128 0.923 1.683 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.026 3.729 1.321 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.083 3.057 0.096 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -5.932 2.050 3.548 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.999 0.664 2.934 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -4.531 2.321 2.484 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.394 4.302 1.797 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -8.810 2.571 1.833 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -7.737 3.254 3.077 1.00 10.00 H new ATOM 209 N CYS A 13 -5.529 -1.368 0.654 1.00 10.00 N ATOM 210 CA CYS A 13 -4.903 -2.686 0.977 1.00 10.00 C ATOM 211 C CYS A 13 -3.887 -3.056 -0.111 1.00 10.00 C ATOM 212 O CYS A 13 -2.818 -3.564 0.175 1.00 10.00 O ATOM 213 CB CYS A 13 -6.062 -3.688 0.998 1.00 10.00 C ATOM 214 SG CYS A 13 -5.525 -5.217 1.805 1.00 10.00 S ATOM 0 H CYS A 13 -6.531 -1.401 0.467 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.369 -2.672 1.927 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.914 -3.264 1.530 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.393 -3.898 -0.019 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.509 -6.066 1.824 1.00 10.00 H new ATOM 220 N GLU A 14 -4.210 -2.788 -1.358 1.00 10.00 N ATOM 221 CA GLU A 14 -3.261 -3.105 -2.466 1.00 10.00 C ATOM 222 C GLU A 14 -2.002 -2.243 -2.330 1.00 10.00 C ATOM 223 O GLU A 14 -0.894 -2.711 -2.511 1.00 10.00 O ATOM 224 CB GLU A 14 -4.019 -2.767 -3.753 1.00 10.00 C ATOM 225 CG GLU A 14 -4.370 -4.057 -4.498 1.00 10.00 C ATOM 226 CD GLU A 14 -5.793 -4.491 -4.133 1.00 10.00 C ATOM 227 OE1 GLU A 14 -5.964 -5.047 -3.060 1.00 10.00 O ATOM 228 OE2 GLU A 14 -6.684 -4.263 -4.934 1.00 10.00 O ATOM 0 H GLU A 14 -5.090 -2.364 -1.651 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.938 -4.146 -2.456 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -4.928 -2.213 -3.517 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.409 -2.123 -4.387 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -4.292 -3.900 -5.574 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -3.661 -4.843 -4.238 1.00 10.00 H new ATOM 235 N VAL A 15 -2.174 -0.990 -1.993 1.00 10.00 N ATOM 236 CA VAL A 15 -0.997 -0.082 -1.818 1.00 10.00 C ATOM 237 C VAL A 15 -0.227 -0.478 -0.552 1.00 10.00 C ATOM 238 O VAL A 15 0.986 -0.404 -0.508 1.00 10.00 O ATOM 239 CB VAL A 15 -1.583 1.331 -1.679 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.453 2.334 -1.423 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.316 1.716 -2.970 1.00 10.00 C ATOM 0 H VAL A 15 -3.082 -0.554 -1.831 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.300 -0.140 -2.654 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.283 1.347 -0.843 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -0.871 3.336 -1.325 1.00 10.00 H new ATOM 0 HG12 VAL A 15 0.069 2.067 -0.504 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.248 2.314 -2.258 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.730 2.719 -2.868 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.616 1.696 -3.806 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.123 1.007 -3.155 1.00 10.00 H new ATOM 251 N LEU A 16 -0.927 -0.908 0.473 1.00 10.00 N ATOM 252 CA LEU A 16 -0.244 -1.326 1.737 1.00 10.00 C ATOM 253 C LEU A 16 0.722 -2.483 1.449 1.00 10.00 C ATOM 254 O LEU A 16 1.823 -2.520 1.965 1.00 10.00 O ATOM 255 CB LEU A 16 -1.370 -1.778 2.672 1.00 10.00 C ATOM 256 CG LEU A 16 -0.816 -1.976 4.086 1.00 10.00 C ATOM 257 CD1 LEU A 16 -0.847 -0.644 4.840 1.00 10.00 C ATOM 258 CD2 LEU A 16 -1.675 -3.001 4.831 1.00 10.00 C ATOM 0 H LEU A 16 -1.944 -0.987 0.487 1.00 10.00 H new ATOM 0 HA LEU A 16 0.344 -0.521 2.178 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.167 -1.034 2.684 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.807 -2.708 2.308 1.00 10.00 H new ATOM 0 HG LEU A 16 0.211 -2.335 4.025 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -0.453 -0.786 5.846 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -0.237 0.088 4.311 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -1.874 -0.284 4.900 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -1.281 -3.143 5.838 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.702 -2.641 4.890 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -1.654 -3.951 4.296 1.00 10.00 H new ATOM 270 N SER A 17 0.323 -3.416 0.613 1.00 10.00 N ATOM 271 CA SER A 17 1.226 -4.561 0.275 1.00 10.00 C ATOM 272 C SER A 17 2.507 -4.025 -0.375 1.00 10.00 C ATOM 273 O SER A 17 3.601 -4.448 -0.052 1.00 10.00 O ATOM 274 CB SER A 17 0.438 -5.426 -0.713 1.00 10.00 C ATOM 275 OG SER A 17 0.768 -6.793 -0.505 1.00 10.00 O ATOM 0 H SER A 17 -0.587 -3.432 0.152 1.00 10.00 H new ATOM 0 HA SER A 17 1.520 -5.134 1.154 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.632 -5.273 -0.575 1.00 10.00 H new ATOM 0 HB3 SER A 17 0.672 -5.135 -1.737 1.00 10.00 H new ATOM 0 HG SER A 17 0.264 -7.350 -1.134 1.00 10.00 H new ATOM 281 N ASP A 18 2.373 -3.076 -1.272 1.00 10.00 N ATOM 282 CA ASP A 18 3.577 -2.485 -1.926 1.00 10.00 C ATOM 283 C ASP A 18 4.307 -1.581 -0.929 1.00 10.00 C ATOM 284 O ASP A 18 5.517 -1.543 -0.900 1.00 10.00 O ATOM 285 CB ASP A 18 3.044 -1.669 -3.111 1.00 10.00 C ATOM 286 CG ASP A 18 4.142 -0.740 -3.638 1.00 10.00 C ATOM 287 OD1 ASP A 18 5.038 -1.230 -4.305 1.00 10.00 O ATOM 288 OD2 ASP A 18 4.071 0.445 -3.360 1.00 10.00 O ATOM 0 H ASP A 18 1.481 -2.688 -1.577 1.00 10.00 H new ATOM 0 HA ASP A 18 4.285 -3.244 -2.258 1.00 10.00 H new ATOM 0 HB2 ASP A 18 2.710 -2.338 -3.904 1.00 10.00 H new ATOM 0 HB3 ASP A 18 2.178 -1.084 -2.801 1.00 10.00 H new ATOM 293 N PHE A 19 3.574 -0.862 -0.108 1.00 10.00 N ATOM 294 CA PHE A 19 4.219 0.040 0.902 1.00 10.00 C ATOM 295 C PHE A 19 5.308 -0.716 1.670 1.00 10.00 C ATOM 296 O PHE A 19 6.377 -0.195 1.918 1.00 10.00 O ATOM 297 CB PHE A 19 3.091 0.450 1.852 1.00 10.00 C ATOM 298 CG PHE A 19 3.182 1.930 2.137 1.00 10.00 C ATOM 299 CD1 PHE A 19 3.995 2.392 3.178 1.00 10.00 C ATOM 300 CD2 PHE A 19 2.455 2.839 1.358 1.00 10.00 C ATOM 301 CE1 PHE A 19 4.081 3.763 3.442 1.00 10.00 C ATOM 302 CE2 PHE A 19 2.541 4.211 1.623 1.00 10.00 C ATOM 303 CZ PHE A 19 3.355 4.673 2.665 1.00 10.00 C ATOM 0 H PHE A 19 2.554 -0.862 -0.095 1.00 10.00 H new ATOM 0 HA PHE A 19 4.695 0.902 0.434 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.124 0.214 1.408 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.161 -0.115 2.782 1.00 10.00 H new ATOM 0 HD1 PHE A 19 4.556 1.690 3.777 1.00 10.00 H new ATOM 0 HD2 PHE A 19 1.829 2.482 0.554 1.00 10.00 H new ATOM 0 HE1 PHE A 19 4.708 4.120 4.246 1.00 10.00 H new ATOM 0 HE2 PHE A 19 1.980 4.913 1.024 1.00 10.00 H new ATOM 0 HZ PHE A 19 3.422 5.731 2.869 1.00 10.00 H new ATOM 313 N LYS A 20 5.040 -1.945 2.038 1.00 10.00 N ATOM 314 CA LYS A 20 6.058 -2.753 2.782 1.00 10.00 C ATOM 315 C LYS A 20 7.324 -2.926 1.929 1.00 10.00 C ATOM 316 O LYS A 20 8.431 -2.807 2.421 1.00 10.00 O ATOM 317 CB LYS A 20 5.387 -4.108 3.031 1.00 10.00 C ATOM 318 CG LYS A 20 6.263 -4.955 3.960 1.00 10.00 C ATOM 319 CD LYS A 20 6.475 -6.344 3.348 1.00 10.00 C ATOM 320 CE LYS A 20 6.385 -7.411 4.445 1.00 10.00 C ATOM 321 NZ LYS A 20 4.958 -7.848 4.455 1.00 10.00 N ATOM 0 H LYS A 20 4.159 -2.425 1.855 1.00 10.00 H new ATOM 0 HA LYS A 20 6.365 -2.275 3.712 1.00 10.00 H new ATOM 0 HB2 LYS A 20 4.403 -3.961 3.477 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.234 -4.628 2.085 1.00 10.00 H new ATOM 0 HG2 LYS A 20 7.224 -4.465 4.115 1.00 10.00 H new ATOM 0 HG3 LYS A 20 5.790 -5.046 4.938 1.00 10.00 H new ATOM 0 HD2 LYS A 20 5.724 -6.533 2.581 1.00 10.00 H new ATOM 0 HD3 LYS A 20 7.448 -6.392 2.859 1.00 10.00 H new ATOM 0 HE2 LYS A 20 7.051 -8.248 4.235 1.00 10.00 H new ATOM 0 HE3 LYS A 20 6.679 -7.005 5.413 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 4.824 -8.578 5.183 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 4.347 -7.033 4.665 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 4.708 -8.237 3.524 1.00 10.00 H new ATOM 335 N THR A 21 7.167 -3.204 0.656 1.00 10.00 N ATOM 336 CA THR A 21 8.361 -3.385 -0.229 1.00 10.00 C ATOM 337 C THR A 21 8.896 -2.024 -0.682 1.00 10.00 C ATOM 338 O THR A 21 10.087 -1.790 -0.658 1.00 10.00 O ATOM 339 CB THR A 21 7.869 -4.196 -1.436 1.00 10.00 C ATOM 340 OG1 THR A 21 6.895 -5.145 -1.018 1.00 10.00 O ATOM 341 CG2 THR A 21 9.051 -4.926 -2.077 1.00 10.00 C ATOM 0 H THR A 21 6.265 -3.313 0.193 1.00 10.00 H new ATOM 0 HA THR A 21 9.173 -3.894 0.290 1.00 10.00 H new ATOM 0 HB THR A 21 7.420 -3.519 -2.163 1.00 10.00 H new ATOM 0 HG1 THR A 21 6.584 -5.658 -1.793 1.00 10.00 H new ATOM 0 HG21 THR A 21 8.702 -5.502 -2.934 1.00 10.00 H new ATOM 0 HG22 THR A 21 9.793 -4.198 -2.407 1.00 10.00 H new ATOM 0 HG23 THR A 21 9.502 -5.599 -1.348 1.00 10.00 H new ATOM 349 N TRP A 22 8.027 -1.127 -1.090 1.00 10.00 N ATOM 350 CA TRP A 22 8.480 0.227 -1.543 1.00 10.00 C ATOM 351 C TRP A 22 9.365 0.871 -0.472 1.00 10.00 C ATOM 352 O TRP A 22 10.421 1.398 -0.765 1.00 10.00 O ATOM 353 CB TRP A 22 7.198 1.042 -1.731 1.00 10.00 C ATOM 354 CG TRP A 22 7.378 2.007 -2.860 1.00 10.00 C ATOM 355 CD1 TRP A 22 6.945 1.813 -4.128 1.00 10.00 C ATOM 356 CD2 TRP A 22 8.028 3.311 -2.846 1.00 10.00 C ATOM 357 NE1 TRP A 22 7.288 2.915 -4.892 1.00 10.00 N ATOM 358 CE2 TRP A 22 7.956 3.867 -4.145 1.00 10.00 C ATOM 359 CE3 TRP A 22 8.664 4.059 -1.839 1.00 10.00 C ATOM 360 CZ2 TRP A 22 8.499 5.118 -4.436 1.00 10.00 C ATOM 361 CZ3 TRP A 22 9.212 5.320 -2.128 1.00 10.00 C ATOM 362 CH2 TRP A 22 9.129 5.848 -3.425 1.00 10.00 C ATOM 0 H TRP A 22 7.019 -1.277 -1.128 1.00 10.00 H new ATOM 0 HA TRP A 22 9.067 0.176 -2.460 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.359 0.377 -1.938 1.00 10.00 H new ATOM 0 HB3 TRP A 22 6.959 1.580 -0.814 1.00 10.00 H new ATOM 0 HD1 TRP A 22 6.418 0.941 -4.485 1.00 10.00 H new ATOM 0 HE1 TRP A 22 7.074 3.013 -5.885 1.00 10.00 H new ATOM 0 HE3 TRP A 22 8.732 3.661 -0.837 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 8.433 5.520 -5.436 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 9.700 5.886 -1.348 1.00 10.00 H new ATOM 0 HH2 TRP A 22 9.552 6.818 -3.642 1.00 10.00 H new ATOM 373 N LEU A 23 8.940 0.821 0.767 1.00 10.00 N ATOM 374 CA LEU A 23 9.753 1.419 1.872 1.00 10.00 C ATOM 375 C LEU A 23 11.118 0.722 1.955 1.00 10.00 C ATOM 376 O LEU A 23 12.142 1.367 2.087 1.00 10.00 O ATOM 377 CB LEU A 23 8.941 1.180 3.152 1.00 10.00 C ATOM 378 CG LEU A 23 8.101 2.422 3.488 1.00 10.00 C ATOM 379 CD1 LEU A 23 9.022 3.570 3.906 1.00 10.00 C ATOM 380 CD2 LEU A 23 7.280 2.848 2.265 1.00 10.00 C ATOM 0 H LEU A 23 8.063 0.391 1.061 1.00 10.00 H new ATOM 0 HA LEU A 23 9.945 2.480 1.714 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.290 0.316 3.022 1.00 10.00 H new ATOM 0 HB3 LEU A 23 9.612 0.951 3.980 1.00 10.00 H new ATOM 0 HG LEU A 23 7.425 2.179 4.308 1.00 10.00 H new ATOM 0 HD11 LEU A 23 8.423 4.449 4.143 1.00 10.00 H new ATOM 0 HD12 LEU A 23 9.596 3.274 4.784 1.00 10.00 H new ATOM 0 HD13 LEU A 23 9.704 3.806 3.089 1.00 10.00 H new ATOM 0 HD21 LEU A 23 6.688 3.729 2.513 1.00 10.00 H new ATOM 0 HD22 LEU A 23 7.952 3.083 1.440 1.00 10.00 H new ATOM 0 HD23 LEU A 23 6.616 2.035 1.972 1.00 10.00 H new ATOM 392 N LYS A 24 11.143 -0.587 1.857 1.00 10.00 N ATOM 393 CA LYS A 24 12.446 -1.322 1.909 1.00 10.00 C ATOM 394 C LYS A 24 13.249 -1.048 0.631 1.00 10.00 C ATOM 395 O LYS A 24 14.461 -0.957 0.663 1.00 10.00 O ATOM 396 CB LYS A 24 12.075 -2.807 2.002 1.00 10.00 C ATOM 397 CG LYS A 24 11.798 -3.180 3.462 1.00 10.00 C ATOM 398 CD LYS A 24 13.125 -3.339 4.213 1.00 10.00 C ATOM 399 CE LYS A 24 13.032 -4.527 5.179 1.00 10.00 C ATOM 400 NZ LYS A 24 13.923 -4.174 6.324 1.00 10.00 N ATOM 0 H LYS A 24 10.318 -1.176 1.743 1.00 10.00 H new ATOM 0 HA LYS A 24 13.062 -1.010 2.753 1.00 10.00 H new ATOM 0 HB2 LYS A 24 11.195 -3.011 1.391 1.00 10.00 H new ATOM 0 HB3 LYS A 24 12.886 -3.420 1.608 1.00 10.00 H new ATOM 0 HG2 LYS A 24 11.191 -2.409 3.936 1.00 10.00 H new ATOM 0 HG3 LYS A 24 11.228 -4.108 3.509 1.00 10.00 H new ATOM 0 HD2 LYS A 24 13.938 -3.496 3.505 1.00 10.00 H new ATOM 0 HD3 LYS A 24 13.354 -2.427 4.764 1.00 10.00 H new ATOM 0 HE2 LYS A 24 12.006 -4.683 5.513 1.00 10.00 H new ATOM 0 HE3 LYS A 24 13.355 -5.451 4.699 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 13.909 -4.942 7.025 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 14.895 -4.038 5.979 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 13.587 -3.295 6.767 1.00 10.00 H new ATOM 414 N ALA A 25 12.575 -0.908 -0.486 1.00 10.00 N ATOM 415 CA ALA A 25 13.283 -0.629 -1.776 1.00 10.00 C ATOM 416 C ALA A 25 13.996 0.734 -1.727 1.00 10.00 C ATOM 417 O ALA A 25 14.854 1.015 -2.540 1.00 10.00 O ATOM 418 CB ALA A 25 12.182 -0.619 -2.840 1.00 10.00 C ATOM 0 H ALA A 25 11.560 -0.975 -0.560 1.00 10.00 H new ATOM 0 HA ALA A 25 14.051 -1.373 -1.985 1.00 10.00 H new ATOM 0 HB1 ALA A 25 12.622 -0.420 -3.817 1.00 10.00 H new ATOM 0 HB2 ALA A 25 11.684 -1.588 -2.857 1.00 10.00 H new ATOM 0 HB3 ALA A 25 11.455 0.159 -2.604 1.00 10.00 H new ATOM 424 N LYS A 26 13.645 1.581 -0.787 1.00 10.00 N ATOM 425 CA LYS A 26 14.304 2.921 -0.687 1.00 10.00 C ATOM 426 C LYS A 26 15.233 2.974 0.538 1.00 10.00 C ATOM 427 O LYS A 26 16.204 3.707 0.555 1.00 10.00 O ATOM 428 CB LYS A 26 13.152 3.919 -0.531 1.00 10.00 C ATOM 429 CG LYS A 26 12.970 4.705 -1.832 1.00 10.00 C ATOM 430 CD LYS A 26 12.291 3.819 -2.881 1.00 10.00 C ATOM 431 CE LYS A 26 13.242 3.602 -4.064 1.00 10.00 C ATOM 432 NZ LYS A 26 12.833 2.297 -4.661 1.00 10.00 N ATOM 0 H LYS A 26 12.929 1.400 -0.084 1.00 10.00 H new ATOM 0 HA LYS A 26 14.921 3.141 -1.558 1.00 10.00 H new ATOM 0 HB2 LYS A 26 12.232 3.391 -0.282 1.00 10.00 H new ATOM 0 HB3 LYS A 26 13.359 4.603 0.292 1.00 10.00 H new ATOM 0 HG2 LYS A 26 12.368 5.595 -1.649 1.00 10.00 H new ATOM 0 HG3 LYS A 26 13.938 5.045 -2.201 1.00 10.00 H new ATOM 0 HD2 LYS A 26 12.018 2.860 -2.440 1.00 10.00 H new ATOM 0 HD3 LYS A 26 11.368 4.286 -3.224 1.00 10.00 H new ATOM 0 HE2 LYS A 26 13.158 4.411 -4.790 1.00 10.00 H new ATOM 0 HE3 LYS A 26 14.281 3.576 -3.735 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 12.970 2.329 -5.691 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 13.413 1.534 -4.258 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 11.830 2.118 -4.450 1.00 10.00 H new ATOM 446 N LEU A 27 14.939 2.207 1.562 1.00 10.00 N ATOM 447 CA LEU A 27 15.798 2.217 2.787 1.00 10.00 C ATOM 448 C LEU A 27 17.021 1.307 2.605 1.00 10.00 C ATOM 449 O LEU A 27 18.110 1.638 3.033 1.00 10.00 O ATOM 450 CB LEU A 27 14.898 1.689 3.908 1.00 10.00 C ATOM 451 CG LEU A 27 15.503 2.049 5.269 1.00 10.00 C ATOM 452 CD1 LEU A 27 15.061 3.459 5.670 1.00 10.00 C ATOM 453 CD2 LEU A 27 15.023 1.047 6.322 1.00 10.00 C ATOM 0 H LEU A 27 14.140 1.574 1.601 1.00 10.00 H new ATOM 0 HA LEU A 27 16.183 3.213 3.004 1.00 10.00 H new ATOM 0 HB2 LEU A 27 13.900 2.117 3.818 1.00 10.00 H new ATOM 0 HB3 LEU A 27 14.790 0.608 3.822 1.00 10.00 H new ATOM 0 HG LEU A 27 16.590 2.015 5.202 1.00 10.00 H new ATOM 0 HD11 LEU A 27 15.492 3.714 6.638 1.00 10.00 H new ATOM 0 HD12 LEU A 27 15.402 4.174 4.921 1.00 10.00 H new ATOM 0 HD13 LEU A 27 13.974 3.494 5.736 1.00 10.00 H new ATOM 0 HD21 LEU A 27 15.453 1.303 7.290 1.00 10.00 H new ATOM 0 HD22 LEU A 27 13.936 1.081 6.388 1.00 10.00 H new ATOM 0 HD23 LEU A 27 15.338 0.043 6.039 1.00 10.00 H new ATOM 465 N MET A 28 16.851 0.164 1.982 1.00 10.00 N ATOM 466 CA MET A 28 18.009 -0.769 1.782 1.00 10.00 C ATOM 467 C MET A 28 19.146 -0.084 0.998 1.00 10.00 C ATOM 468 O MET A 28 20.274 -0.075 1.452 1.00 10.00 O ATOM 469 CB MET A 28 17.449 -1.962 0.996 1.00 10.00 C ATOM 470 CG MET A 28 17.051 -3.077 1.969 1.00 10.00 C ATOM 471 SD MET A 28 15.761 -4.104 1.221 1.00 10.00 S ATOM 472 CE MET A 28 16.824 -5.478 0.714 1.00 10.00 C ATOM 0 H MET A 28 15.962 -0.163 1.604 1.00 10.00 H new ATOM 0 HA MET A 28 18.438 -1.079 2.735 1.00 10.00 H new ATOM 0 HB2 MET A 28 16.584 -1.651 0.410 1.00 10.00 H new ATOM 0 HB3 MET A 28 18.196 -2.329 0.292 1.00 10.00 H new ATOM 0 HG2 MET A 28 17.920 -3.688 2.213 1.00 10.00 H new ATOM 0 HG3 MET A 28 16.691 -2.647 2.904 1.00 10.00 H new ATOM 0 HE1 MET A 28 16.222 -6.241 0.221 1.00 10.00 H new ATOM 0 HE2 MET A 28 17.585 -5.114 0.023 1.00 10.00 H new ATOM 0 HE3 MET A 28 17.307 -5.908 1.592 1.00 10.00 H new ATOM 482 N PRO A 29 18.822 0.471 -0.155 1.00 10.00 N ATOM 483 CA PRO A 29 19.854 1.155 -0.980 1.00 10.00 C ATOM 484 C PRO A 29 20.222 2.523 -0.383 1.00 10.00 C ATOM 485 O PRO A 29 19.871 2.840 0.738 1.00 10.00 O ATOM 486 CB PRO A 29 19.174 1.320 -2.337 1.00 10.00 C ATOM 487 CG PRO A 29 17.708 1.315 -2.048 1.00 10.00 C ATOM 488 CD PRO A 29 17.496 0.510 -0.791 1.00 10.00 C ATOM 0 HA PRO A 29 20.788 0.596 -1.036 1.00 10.00 H new ATOM 0 HB2 PRO A 29 19.477 2.250 -2.818 1.00 10.00 H new ATOM 0 HB3 PRO A 29 19.444 0.509 -3.013 1.00 10.00 H new ATOM 0 HG2 PRO A 29 17.339 2.333 -1.918 1.00 10.00 H new ATOM 0 HG3 PRO A 29 17.155 0.879 -2.880 1.00 10.00 H new ATOM 0 HD2 PRO A 29 16.756 0.976 -0.140 1.00 10.00 H new ATOM 0 HD3 PRO A 29 17.134 -0.493 -1.017 1.00 10.00 H new ATOM 496 N GLN A 30 20.929 3.331 -1.134 1.00 10.00 N ATOM 497 CA GLN A 30 21.329 4.682 -0.630 1.00 10.00 C ATOM 498 C GLN A 30 20.853 5.770 -1.599 1.00 10.00 C ATOM 499 O GLN A 30 20.515 5.494 -2.736 1.00 10.00 O ATOM 500 CB GLN A 30 22.859 4.649 -0.570 1.00 10.00 C ATOM 501 CG GLN A 30 23.312 3.903 0.688 1.00 10.00 C ATOM 502 CD GLN A 30 23.133 4.804 1.914 1.00 10.00 C ATOM 503 OE1 GLN A 30 23.914 5.708 2.135 1.00 10.00 O ATOM 504 NE2 GLN A 30 22.132 4.597 2.724 1.00 10.00 N ATOM 0 H GLN A 30 21.248 3.112 -2.078 1.00 10.00 H new ATOM 0 HA GLN A 30 20.889 4.906 0.342 1.00 10.00 H new ATOM 0 HB2 GLN A 30 23.257 4.158 -1.458 1.00 10.00 H new ATOM 0 HB3 GLN A 30 23.254 5.665 -0.564 1.00 10.00 H new ATOM 0 HG2 GLN A 30 22.732 2.988 0.809 1.00 10.00 H new ATOM 0 HG3 GLN A 30 24.357 3.607 0.591 1.00 10.00 H new ATOM 0 HE21 GLN A 30 21.475 3.838 2.540 1.00 10.00 H new ATOM 0 HE22 GLN A 30 22.006 5.194 3.542 1.00 10.00 H new ATOM 513 N LEU A 31 20.823 7.003 -1.156 1.00 10.00 N ATOM 514 CA LEU A 31 20.369 8.114 -2.049 1.00 10.00 C ATOM 515 C LEU A 31 21.520 9.096 -2.306 1.00 10.00 C ATOM 516 O LEU A 31 21.870 9.275 -3.460 1.00 10.00 O ATOM 517 CB LEU A 31 19.228 8.803 -1.287 1.00 10.00 C ATOM 518 CG LEU A 31 17.868 8.290 -1.784 1.00 10.00 C ATOM 519 CD1 LEU A 31 17.724 8.565 -3.284 1.00 10.00 C ATOM 520 CD2 LEU A 31 17.758 6.783 -1.527 1.00 10.00 C ATOM 521 OXT LEU A 31 22.032 9.650 -1.344 1.00 10.00 O ATOM 0 H LEU A 31 21.093 7.288 -0.215 1.00 10.00 H new ATOM 0 HA LEU A 31 20.042 7.750 -3.023 1.00 10.00 H new ATOM 0 HB2 LEU A 31 19.328 8.612 -0.219 1.00 10.00 H new ATOM 0 HB3 LEU A 31 19.289 9.882 -1.425 1.00 10.00 H new ATOM 0 HG LEU A 31 17.074 8.808 -1.246 1.00 10.00 H new ATOM 0 HD11 LEU A 31 16.757 8.199 -3.630 1.00 10.00 H new ATOM 0 HD12 LEU A 31 17.792 9.638 -3.465 1.00 10.00 H new ATOM 0 HD13 LEU A 31 18.520 8.055 -3.826 1.00 10.00 H new ATOM 0 HD21 LEU A 31 16.792 6.423 -1.881 1.00 10.00 H new ATOM 0 HD22 LEU A 31 18.556 6.264 -2.059 1.00 10.00 H new ATOM 0 HD23 LEU A 31 17.848 6.589 -0.458 1.00 10.00 H new TER 533 LEU A 31