USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=8 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+ -145:sc= 0.266 (180deg=0.0319) USER MOD Single : A 1 SER OG : rot 180:sc= 0.243 USER MOD Single : A 3 SER OG : rot 64:sc= 0.0985 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= 0.00828 USER MOD Single : A 24 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0233) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -141:sc= -0.0472 (180deg=-0.481) USER MOD Single : A 30 GLN : amide:sc= 0.513 K(o=0.51,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -14.840 10.153 -5.483 1.00 10.00 N ATOM 2 CA SER A 1 -14.917 11.639 -5.336 1.00 10.00 C ATOM 3 C SER A 1 -15.515 12.012 -3.971 1.00 10.00 C ATOM 4 O SER A 1 -14.825 12.510 -3.103 1.00 10.00 O ATOM 5 CB SER A 1 -15.825 12.116 -6.477 1.00 10.00 C ATOM 6 OG SER A 1 -16.983 11.290 -6.539 1.00 10.00 O ATOM 0 H1 SER A 1 -13.988 9.901 -6.024 1.00 10.00 H new ATOM 0 H2 SER A 1 -14.794 9.713 -4.542 1.00 10.00 H new ATOM 0 H3 SER A 1 -15.684 9.810 -5.985 1.00 10.00 H new ATOM 0 HA SER A 1 -13.933 12.105 -5.385 1.00 10.00 H new ATOM 0 HB2 SER A 1 -16.114 13.155 -6.316 1.00 10.00 H new ATOM 0 HB3 SER A 1 -15.287 12.078 -7.424 1.00 10.00 H new ATOM 0 HG SER A 1 -17.564 11.595 -7.267 1.00 10.00 H new ATOM 14 N GLY A 2 -16.791 11.772 -3.776 1.00 10.00 N ATOM 15 CA GLY A 2 -17.431 12.111 -2.471 1.00 10.00 C ATOM 16 C GLY A 2 -17.611 10.836 -1.645 1.00 10.00 C ATOM 17 O GLY A 2 -16.732 10.441 -0.903 1.00 10.00 O ATOM 0 H GLY A 2 -17.415 11.355 -4.467 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -16.814 12.826 -1.926 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -18.397 12.587 -2.640 1.00 10.00 H new ATOM 21 N SER A 3 -18.743 10.188 -1.772 1.00 10.00 N ATOM 22 CA SER A 3 -18.985 8.931 -0.997 1.00 10.00 C ATOM 23 C SER A 3 -18.316 7.738 -1.695 1.00 10.00 C ATOM 24 O SER A 3 -18.976 6.842 -2.188 1.00 10.00 O ATOM 25 CB SER A 3 -20.509 8.765 -0.963 1.00 10.00 C ATOM 26 OG SER A 3 -21.036 8.916 -2.277 1.00 10.00 O ATOM 0 H SER A 3 -19.510 10.475 -2.379 1.00 10.00 H new ATOM 0 HA SER A 3 -18.566 8.979 0.008 1.00 10.00 H new ATOM 0 HB2 SER A 3 -20.769 7.783 -0.567 1.00 10.00 H new ATOM 0 HB3 SER A 3 -20.951 9.505 -0.296 1.00 10.00 H new ATOM 0 HG SER A 3 -20.699 8.196 -2.849 1.00 10.00 H new ATOM 32 N TRP A 4 -17.007 7.723 -1.731 1.00 10.00 N ATOM 33 CA TRP A 4 -16.280 6.593 -2.385 1.00 10.00 C ATOM 34 C TRP A 4 -15.155 6.093 -1.470 1.00 10.00 C ATOM 35 O TRP A 4 -14.070 5.775 -1.918 1.00 10.00 O ATOM 36 CB TRP A 4 -15.712 7.182 -3.679 1.00 10.00 C ATOM 37 CG TRP A 4 -15.806 6.167 -4.773 1.00 10.00 C ATOM 38 CD1 TRP A 4 -16.946 5.818 -5.415 1.00 10.00 C ATOM 39 CD2 TRP A 4 -14.742 5.362 -5.360 1.00 10.00 C ATOM 40 NE1 TRP A 4 -16.648 4.851 -6.358 1.00 10.00 N ATOM 41 CE2 TRP A 4 -15.304 4.537 -6.364 1.00 10.00 C ATOM 42 CE3 TRP A 4 -13.359 5.269 -5.123 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -14.521 3.652 -7.104 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -12.569 4.378 -5.866 1.00 10.00 C ATOM 45 CH2 TRP A 4 -13.149 3.572 -6.855 1.00 10.00 C ATOM 0 H TRP A 4 -16.409 8.448 -1.334 1.00 10.00 H new ATOM 0 HA TRP A 4 -16.928 5.739 -2.583 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -16.263 8.081 -3.954 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -14.673 7.478 -3.531 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -17.927 6.227 -5.222 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -17.338 4.422 -6.974 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -12.902 5.887 -4.364 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -14.972 3.032 -7.865 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -11.508 4.313 -5.674 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -12.535 2.889 -7.424 1.00 10.00 H new ATOM 56 N LEU A 5 -15.413 6.020 -0.188 1.00 10.00 N ATOM 57 CA LEU A 5 -14.368 5.539 0.768 1.00 10.00 C ATOM 58 C LEU A 5 -14.319 4.006 0.771 1.00 10.00 C ATOM 59 O LEU A 5 -13.256 3.414 0.814 1.00 10.00 O ATOM 60 CB LEU A 5 -14.804 6.065 2.142 1.00 10.00 C ATOM 61 CG LEU A 5 -13.766 7.060 2.668 1.00 10.00 C ATOM 62 CD1 LEU A 5 -13.814 8.344 1.835 1.00 10.00 C ATOM 63 CD2 LEU A 5 -14.076 7.391 4.130 1.00 10.00 C ATOM 0 H LEU A 5 -16.304 6.273 0.239 1.00 10.00 H new ATOM 0 HA LEU A 5 -13.372 5.890 0.498 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -15.778 6.548 2.065 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -14.914 5.236 2.841 1.00 10.00 H new ATOM 0 HG LEU A 5 -12.772 6.619 2.594 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -13.074 9.050 2.212 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -13.595 8.110 0.793 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -14.807 8.787 1.906 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -13.338 8.099 4.507 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -15.071 7.831 4.200 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -14.040 6.479 4.725 1.00 10.00 H new ATOM 75 N ARG A 6 -15.463 3.364 0.725 1.00 10.00 N ATOM 76 CA ARG A 6 -15.494 1.867 0.723 1.00 10.00 C ATOM 77 C ARG A 6 -14.759 1.316 -0.508 1.00 10.00 C ATOM 78 O ARG A 6 -14.068 0.318 -0.427 1.00 10.00 O ATOM 79 CB ARG A 6 -16.980 1.495 0.678 1.00 10.00 C ATOM 80 CG ARG A 6 -17.352 0.702 1.936 1.00 10.00 C ATOM 81 CD ARG A 6 -18.686 1.214 2.489 1.00 10.00 C ATOM 82 NE ARG A 6 -18.722 0.752 3.907 1.00 10.00 N ATOM 83 CZ ARG A 6 -18.634 1.619 4.880 1.00 10.00 C ATOM 84 NH1 ARG A 6 -17.460 1.974 5.334 1.00 10.00 N ATOM 85 NH2 ARG A 6 -19.720 2.130 5.399 1.00 10.00 N ATOM 0 H ARG A 6 -16.378 3.814 0.689 1.00 10.00 H new ATOM 0 HA ARG A 6 -14.998 1.447 1.598 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -17.589 2.397 0.612 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -17.190 0.902 -0.212 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -17.428 -0.359 1.700 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -16.570 0.806 2.689 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -18.748 2.300 2.427 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -19.527 0.814 1.923 1.00 10.00 H new ATOM 0 HE ARG A 6 -18.815 -0.242 4.117 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -16.614 1.574 4.928 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -17.390 2.651 6.094 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -20.635 1.851 5.044 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -19.652 2.807 6.159 1.00 10.00 H new ATOM 99 N ASP A 7 -14.895 1.965 -1.641 1.00 10.00 N ATOM 100 CA ASP A 7 -14.196 1.484 -2.877 1.00 10.00 C ATOM 101 C ASP A 7 -12.702 1.859 -2.846 1.00 10.00 C ATOM 102 O ASP A 7 -11.944 1.468 -3.712 1.00 10.00 O ATOM 103 CB ASP A 7 -14.906 2.186 -4.038 1.00 10.00 C ATOM 104 CG ASP A 7 -15.290 1.155 -5.103 1.00 10.00 C ATOM 105 OD1 ASP A 7 -14.402 0.696 -5.804 1.00 10.00 O ATOM 106 OD2 ASP A 7 -16.465 0.845 -5.201 1.00 10.00 O ATOM 0 H ASP A 7 -15.459 2.806 -1.763 1.00 10.00 H new ATOM 0 HA ASP A 7 -14.238 0.399 -2.969 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -15.797 2.699 -3.676 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -14.254 2.945 -4.470 1.00 10.00 H new ATOM 111 N ILE A 8 -12.270 2.594 -1.847 1.00 10.00 N ATOM 112 CA ILE A 8 -10.825 2.962 -1.753 1.00 10.00 C ATOM 113 C ILE A 8 -10.139 2.056 -0.721 1.00 10.00 C ATOM 114 O ILE A 8 -8.981 1.716 -0.861 1.00 10.00 O ATOM 115 CB ILE A 8 -10.805 4.429 -1.299 1.00 10.00 C ATOM 116 CG1 ILE A 8 -11.187 5.337 -2.478 1.00 10.00 C ATOM 117 CG2 ILE A 8 -9.404 4.807 -0.798 1.00 10.00 C ATOM 118 CD1 ILE A 8 -10.093 5.299 -3.552 1.00 10.00 C ATOM 0 H ILE A 8 -12.857 2.953 -1.095 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.296 2.838 -2.698 1.00 10.00 H new ATOM 0 HB ILE A 8 -11.522 4.559 -0.488 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -12.136 5.012 -2.904 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -11.328 6.360 -2.128 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -9.401 5.849 -0.479 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -9.134 4.169 0.043 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -8.681 4.672 -1.603 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -10.375 5.946 -4.382 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -9.152 5.646 -3.125 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -9.973 4.278 -3.913 1.00 10.00 H new ATOM 130 N TRP A 9 -10.850 1.661 0.313 1.00 10.00 N ATOM 131 CA TRP A 9 -10.251 0.773 1.363 1.00 10.00 C ATOM 132 C TRP A 9 -9.697 -0.511 0.731 1.00 10.00 C ATOM 133 O TRP A 9 -8.589 -0.919 1.029 1.00 10.00 O ATOM 134 CB TRP A 9 -11.400 0.457 2.329 1.00 10.00 C ATOM 135 CG TRP A 9 -10.957 0.681 3.743 1.00 10.00 C ATOM 136 CD1 TRP A 9 -11.320 -0.087 4.797 1.00 10.00 C ATOM 137 CD2 TRP A 9 -10.086 1.725 4.281 1.00 10.00 C ATOM 138 NE1 TRP A 9 -10.729 0.413 5.943 1.00 10.00 N ATOM 139 CE2 TRP A 9 -9.960 1.529 5.678 1.00 10.00 C ATOM 140 CE3 TRP A 9 -9.400 2.810 3.701 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -9.183 2.376 6.468 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -8.617 3.664 4.496 1.00 10.00 C ATOM 143 CH2 TRP A 9 -8.509 3.448 5.876 1.00 10.00 C ATOM 0 H TRP A 9 -11.824 1.918 0.474 1.00 10.00 H new ATOM 0 HA TRP A 9 -9.416 1.251 1.875 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.259 1.089 2.104 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -11.721 -0.576 2.199 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -11.967 -0.951 4.750 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -10.847 0.007 6.871 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -9.476 2.987 2.638 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -9.103 2.205 7.531 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -8.095 4.492 4.040 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -7.906 4.109 6.481 1.00 10.00 H new ATOM 154 N ASP A 10 -10.442 -1.141 -0.149 1.00 10.00 N ATOM 155 CA ASP A 10 -9.928 -2.387 -0.808 1.00 10.00 C ATOM 156 C ASP A 10 -8.641 -2.057 -1.580 1.00 10.00 C ATOM 157 O ASP A 10 -7.719 -2.850 -1.636 1.00 10.00 O ATOM 158 CB ASP A 10 -11.043 -2.862 -1.756 1.00 10.00 C ATOM 159 CG ASP A 10 -11.413 -1.760 -2.753 1.00 10.00 C ATOM 160 OD1 ASP A 10 -10.771 -1.678 -3.788 1.00 10.00 O ATOM 161 OD2 ASP A 10 -12.337 -1.023 -2.465 1.00 10.00 O ATOM 0 H ASP A 10 -11.376 -0.850 -0.438 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.684 -3.168 -0.088 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -10.715 -3.751 -2.295 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -11.922 -3.146 -1.178 1.00 10.00 H new ATOM 166 N TRP A 11 -8.568 -0.876 -2.149 1.00 10.00 N ATOM 167 CA TRP A 11 -7.340 -0.469 -2.892 1.00 10.00 C ATOM 168 C TRP A 11 -6.223 -0.150 -1.892 1.00 10.00 C ATOM 169 O TRP A 11 -5.070 -0.457 -2.124 1.00 10.00 O ATOM 170 CB TRP A 11 -7.740 0.782 -3.681 1.00 10.00 C ATOM 171 CG TRP A 11 -6.631 1.163 -4.608 1.00 10.00 C ATOM 172 CD1 TRP A 11 -6.257 0.460 -5.700 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.749 2.320 -4.542 1.00 10.00 C ATOM 174 NE1 TRP A 11 -5.200 1.110 -6.309 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.851 2.264 -5.633 1.00 10.00 C ATOM 176 CE3 TRP A 11 -5.643 3.403 -3.651 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -3.882 3.246 -5.835 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -4.668 4.394 -3.850 1.00 10.00 C ATOM 179 CH2 TRP A 11 -3.789 4.316 -4.940 1.00 10.00 C ATOM 0 H TRP A 11 -9.311 -0.177 -2.129 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.970 -1.252 -3.554 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.652 0.592 -4.247 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -7.955 1.603 -2.997 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -6.710 -0.459 -6.041 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -4.734 0.779 -7.154 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.315 3.473 -2.809 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -3.208 3.181 -6.677 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -4.595 5.221 -3.159 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -3.041 5.081 -5.088 1.00 10.00 H new ATOM 190 N ILE A 12 -6.563 0.445 -0.768 1.00 10.00 N ATOM 191 CA ILE A 12 -5.528 0.760 0.267 1.00 10.00 C ATOM 192 C ILE A 12 -4.812 -0.537 0.666 1.00 10.00 C ATOM 193 O ILE A 12 -3.609 -0.565 0.834 1.00 10.00 O ATOM 194 CB ILE A 12 -6.303 1.341 1.460 1.00 10.00 C ATOM 195 CG1 ILE A 12 -6.884 2.715 1.085 1.00 10.00 C ATOM 196 CG2 ILE A 12 -5.372 1.482 2.672 1.00 10.00 C ATOM 197 CD1 ILE A 12 -5.810 3.800 1.202 1.00 10.00 C ATOM 0 H ILE A 12 -7.514 0.725 -0.526 1.00 10.00 H new ATOM 0 HA ILE A 12 -4.774 1.461 -0.090 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.119 0.665 1.716 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -7.272 2.687 0.067 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.723 2.953 1.739 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -5.929 1.894 3.513 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.977 0.503 2.944 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -4.547 2.149 2.421 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -6.238 4.766 0.933 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -5.442 3.839 2.227 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -4.984 3.569 0.529 1.00 10.00 H new ATOM 209 N CYS A 13 -5.553 -1.614 0.795 1.00 10.00 N ATOM 210 CA CYS A 13 -4.930 -2.923 1.156 1.00 10.00 C ATOM 211 C CYS A 13 -3.973 -3.358 0.038 1.00 10.00 C ATOM 212 O CYS A 13 -2.898 -3.870 0.296 1.00 10.00 O ATOM 213 CB CYS A 13 -6.105 -3.901 1.282 1.00 10.00 C ATOM 214 SG CYS A 13 -5.480 -5.554 1.673 1.00 10.00 S ATOM 0 H CYS A 13 -6.564 -1.640 0.665 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.350 -2.876 2.077 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.788 -3.566 2.062 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.672 -3.926 0.351 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.477 -6.381 1.781 1.00 10.00 H new ATOM 220 N GLU A 14 -4.352 -3.137 -1.200 1.00 10.00 N ATOM 221 CA GLU A 14 -3.465 -3.511 -2.342 1.00 10.00 C ATOM 222 C GLU A 14 -2.204 -2.643 -2.325 1.00 10.00 C ATOM 223 O GLU A 14 -1.102 -3.129 -2.498 1.00 10.00 O ATOM 224 CB GLU A 14 -4.297 -3.242 -3.603 1.00 10.00 C ATOM 225 CG GLU A 14 -4.663 -4.570 -4.274 1.00 10.00 C ATOM 226 CD GLU A 14 -5.993 -5.083 -3.713 1.00 10.00 C ATOM 227 OE1 GLU A 14 -5.989 -5.586 -2.601 1.00 10.00 O ATOM 228 OE2 GLU A 14 -6.992 -4.966 -4.406 1.00 10.00 O ATOM 0 H GLU A 14 -5.240 -2.712 -1.466 1.00 10.00 H new ATOM 0 HA GLU A 14 -3.138 -4.550 -2.294 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -5.202 -2.693 -3.343 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.733 -2.617 -4.296 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -4.741 -4.434 -5.353 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -3.877 -5.305 -4.101 1.00 10.00 H new ATOM 235 N VAL A 15 -2.362 -1.362 -2.099 1.00 10.00 N ATOM 236 CA VAL A 15 -1.175 -0.449 -2.048 1.00 10.00 C ATOM 237 C VAL A 15 -0.359 -0.730 -0.778 1.00 10.00 C ATOM 238 O VAL A 15 0.855 -0.663 -0.790 1.00 10.00 O ATOM 239 CB VAL A 15 -1.748 0.976 -2.019 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.605 1.989 -1.899 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.527 1.248 -3.310 1.00 10.00 C ATOM 0 H VAL A 15 -3.262 -0.907 -1.947 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.510 -0.591 -2.900 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.416 1.073 -1.163 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -1.015 2.999 -1.879 1.00 10.00 H new ATOM 0 HG12 VAL A 15 -0.050 1.804 -0.979 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.064 1.886 -2.753 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.931 2.260 -3.285 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.860 1.145 -4.166 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.345 0.533 -3.399 1.00 10.00 H new ATOM 251 N LEU A 16 -1.021 -1.050 0.312 1.00 10.00 N ATOM 252 CA LEU A 16 -0.294 -1.346 1.588 1.00 10.00 C ATOM 253 C LEU A 16 0.731 -2.465 1.366 1.00 10.00 C ATOM 254 O LEU A 16 1.835 -2.410 1.873 1.00 10.00 O ATOM 255 CB LEU A 16 -1.379 -1.793 2.576 1.00 10.00 C ATOM 256 CG LEU A 16 -0.767 -1.994 3.966 1.00 10.00 C ATOM 257 CD1 LEU A 16 -1.553 -1.183 4.997 1.00 10.00 C ATOM 258 CD2 LEU A 16 -0.823 -3.478 4.337 1.00 10.00 C ATOM 0 H LEU A 16 -2.037 -1.119 0.371 1.00 10.00 H new ATOM 0 HA LEU A 16 0.257 -0.481 1.958 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.171 -1.046 2.622 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.836 -2.721 2.233 1.00 10.00 H new ATOM 0 HG LEU A 16 0.270 -1.658 3.956 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.115 -1.328 5.985 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -1.514 -0.126 4.735 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.591 -1.516 5.008 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -0.388 -3.623 5.326 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -1.860 -3.812 4.345 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -0.261 -4.058 3.605 1.00 10.00 H new ATOM 270 N SER A 17 0.378 -3.471 0.600 1.00 10.00 N ATOM 271 CA SER A 17 1.339 -4.585 0.329 1.00 10.00 C ATOM 272 C SER A 17 2.572 -4.034 -0.395 1.00 10.00 C ATOM 273 O SER A 17 3.695 -4.361 -0.060 1.00 10.00 O ATOM 274 CB SER A 17 0.579 -5.568 -0.563 1.00 10.00 C ATOM 275 OG SER A 17 -0.273 -6.366 0.248 1.00 10.00 O ATOM 0 H SER A 17 -0.533 -3.567 0.152 1.00 10.00 H new ATOM 0 HA SER A 17 1.688 -5.067 1.242 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.007 -5.027 -1.306 1.00 10.00 H new ATOM 0 HB3 SER A 17 1.280 -6.200 -1.109 1.00 10.00 H new ATOM 0 HG SER A 17 -0.765 -6.998 -0.317 1.00 10.00 H new ATOM 281 N ASP A 18 2.370 -3.177 -1.367 1.00 10.00 N ATOM 282 CA ASP A 18 3.530 -2.579 -2.092 1.00 10.00 C ATOM 283 C ASP A 18 4.238 -1.575 -1.178 1.00 10.00 C ATOM 284 O ASP A 18 5.444 -1.446 -1.215 1.00 10.00 O ATOM 285 CB ASP A 18 2.938 -1.869 -3.313 1.00 10.00 C ATOM 286 CG ASP A 18 4.053 -1.141 -4.073 1.00 10.00 C ATOM 287 OD1 ASP A 18 4.895 -1.818 -4.639 1.00 10.00 O ATOM 288 OD2 ASP A 18 4.047 0.080 -4.074 1.00 10.00 O ATOM 0 H ASP A 18 1.452 -2.868 -1.688 1.00 10.00 H new ATOM 0 HA ASP A 18 4.262 -3.330 -2.390 1.00 10.00 H new ATOM 0 HB2 ASP A 18 2.451 -2.592 -3.967 1.00 10.00 H new ATOM 0 HB3 ASP A 18 2.174 -1.158 -2.998 1.00 10.00 H new ATOM 293 N PHE A 19 3.494 -0.874 -0.351 1.00 10.00 N ATOM 294 CA PHE A 19 4.119 0.113 0.583 1.00 10.00 C ATOM 295 C PHE A 19 5.230 -0.571 1.384 1.00 10.00 C ATOM 296 O PHE A 19 6.285 -0.004 1.602 1.00 10.00 O ATOM 297 CB PHE A 19 2.988 0.568 1.511 1.00 10.00 C ATOM 298 CG PHE A 19 2.920 2.078 1.530 1.00 10.00 C ATOM 299 CD1 PHE A 19 2.613 2.783 0.358 1.00 10.00 C ATOM 300 CD2 PHE A 19 3.163 2.775 2.720 1.00 10.00 C ATOM 301 CE1 PHE A 19 2.549 4.181 0.378 1.00 10.00 C ATOM 302 CE2 PHE A 19 3.100 4.174 2.740 1.00 10.00 C ATOM 303 CZ PHE A 19 2.793 4.876 1.569 1.00 10.00 C ATOM 0 H PHE A 19 2.479 -0.945 -0.285 1.00 10.00 H new ATOM 0 HA PHE A 19 4.567 0.956 0.058 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.038 0.156 1.171 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.157 0.189 2.519 1.00 10.00 H new ATOM 0 HD1 PHE A 19 2.426 2.247 -0.561 1.00 10.00 H new ATOM 0 HD2 PHE A 19 3.399 2.233 3.624 1.00 10.00 H new ATOM 0 HE1 PHE A 19 2.311 4.724 -0.525 1.00 10.00 H new ATOM 0 HE2 PHE A 19 3.288 4.710 3.658 1.00 10.00 H new ATOM 0 HZ PHE A 19 2.744 5.955 1.584 1.00 10.00 H new ATOM 313 N LYS A 20 5.006 -1.795 1.803 1.00 10.00 N ATOM 314 CA LYS A 20 6.058 -2.536 2.567 1.00 10.00 C ATOM 315 C LYS A 20 7.320 -2.656 1.703 1.00 10.00 C ATOM 316 O LYS A 20 8.417 -2.370 2.146 1.00 10.00 O ATOM 317 CB LYS A 20 5.456 -3.918 2.845 1.00 10.00 C ATOM 318 CG LYS A 20 6.350 -4.685 3.827 1.00 10.00 C ATOM 319 CD LYS A 20 6.863 -5.967 3.164 1.00 10.00 C ATOM 320 CE LYS A 20 7.405 -6.919 4.236 1.00 10.00 C ATOM 321 NZ LYS A 20 6.263 -7.818 4.579 1.00 10.00 N ATOM 0 H LYS A 20 4.140 -2.311 1.648 1.00 10.00 H new ATOM 0 HA LYS A 20 6.341 -2.034 3.492 1.00 10.00 H new ATOM 0 HB2 LYS A 20 4.453 -3.812 3.259 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.359 -4.477 1.914 1.00 10.00 H new ATOM 0 HG2 LYS A 20 7.190 -4.061 4.133 1.00 10.00 H new ATOM 0 HG3 LYS A 20 5.789 -4.930 4.729 1.00 10.00 H new ATOM 0 HD2 LYS A 20 6.058 -6.449 2.609 1.00 10.00 H new ATOM 0 HD3 LYS A 20 7.647 -5.728 2.445 1.00 10.00 H new ATOM 0 HE2 LYS A 20 8.256 -7.489 3.862 1.00 10.00 H new ATOM 0 HE3 LYS A 20 7.750 -6.370 5.112 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 6.562 -8.497 5.308 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 5.470 -7.250 4.940 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 5.960 -8.334 3.729 1.00 10.00 H new ATOM 335 N THR A 21 7.163 -3.061 0.465 1.00 10.00 N ATOM 336 CA THR A 21 8.340 -3.186 -0.450 1.00 10.00 C ATOM 337 C THR A 21 8.884 -1.792 -0.789 1.00 10.00 C ATOM 338 O THR A 21 10.080 -1.593 -0.873 1.00 10.00 O ATOM 339 CB THR A 21 7.803 -3.880 -1.709 1.00 10.00 C ATOM 340 OG1 THR A 21 6.990 -4.987 -1.335 1.00 10.00 O ATOM 341 CG2 THR A 21 8.971 -4.369 -2.570 1.00 10.00 C ATOM 0 H THR A 21 6.266 -3.311 0.048 1.00 10.00 H new ATOM 0 HA THR A 21 9.157 -3.750 -0.001 1.00 10.00 H new ATOM 0 HB THR A 21 7.207 -3.170 -2.282 1.00 10.00 H new ATOM 0 HG1 THR A 21 6.647 -5.428 -2.140 1.00 10.00 H new ATOM 0 HG21 THR A 21 8.584 -4.861 -3.462 1.00 10.00 H new ATOM 0 HG22 THR A 21 9.588 -3.519 -2.863 1.00 10.00 H new ATOM 0 HG23 THR A 21 9.573 -5.075 -1.999 1.00 10.00 H new ATOM 349 N TRP A 22 8.009 -0.828 -0.970 1.00 10.00 N ATOM 350 CA TRP A 22 8.463 0.562 -1.287 1.00 10.00 C ATOM 351 C TRP A 22 9.449 1.036 -0.216 1.00 10.00 C ATOM 352 O TRP A 22 10.523 1.523 -0.519 1.00 10.00 O ATOM 353 CB TRP A 22 7.191 1.412 -1.252 1.00 10.00 C ATOM 354 CG TRP A 22 7.396 2.652 -2.062 1.00 10.00 C ATOM 355 CD1 TRP A 22 7.018 2.814 -3.350 1.00 10.00 C ATOM 356 CD2 TRP A 22 8.024 3.903 -1.659 1.00 10.00 C ATOM 357 NE1 TRP A 22 7.374 4.086 -3.764 1.00 10.00 N ATOM 358 CE2 TRP A 22 7.997 4.794 -2.756 1.00 10.00 C ATOM 359 CE3 TRP A 22 8.608 4.344 -0.458 1.00 10.00 C ATOM 360 CZ2 TRP A 22 8.531 6.080 -2.665 1.00 10.00 C ATOM 361 CZ3 TRP A 22 9.147 5.637 -0.363 1.00 10.00 C ATOM 362 CH2 TRP A 22 9.108 6.503 -1.465 1.00 10.00 C ATOM 0 H TRP A 22 6.998 -0.947 -0.911 1.00 10.00 H new ATOM 0 HA TRP A 22 8.969 0.628 -2.250 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.350 0.842 -1.646 1.00 10.00 H new ATOM 0 HB3 TRP A 22 6.944 1.674 -0.223 1.00 10.00 H new ATOM 0 HD1 TRP A 22 6.520 2.072 -3.957 1.00 10.00 H new ATOM 0 HE1 TRP A 22 7.198 4.455 -4.699 1.00 10.00 H new ATOM 0 HE3 TRP A 22 8.642 3.684 0.396 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 8.498 6.744 -3.516 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 9.594 5.966 0.563 1.00 10.00 H new ATOM 0 HH2 TRP A 22 9.524 7.497 -1.386 1.00 10.00 H new ATOM 373 N LEU A 23 9.089 0.880 1.033 1.00 10.00 N ATOM 374 CA LEU A 23 9.997 1.301 2.146 1.00 10.00 C ATOM 375 C LEU A 23 11.272 0.444 2.139 1.00 10.00 C ATOM 376 O LEU A 23 12.347 0.921 2.452 1.00 10.00 O ATOM 377 CB LEU A 23 9.198 1.071 3.434 1.00 10.00 C ATOM 378 CG LEU A 23 8.601 2.399 3.911 1.00 10.00 C ATOM 379 CD1 LEU A 23 7.273 2.655 3.196 1.00 10.00 C ATOM 380 CD2 LEU A 23 8.358 2.336 5.422 1.00 10.00 C ATOM 0 H LEU A 23 8.201 0.477 1.332 1.00 10.00 H new ATOM 0 HA LEU A 23 10.310 2.341 2.049 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.404 0.346 3.257 1.00 10.00 H new ATOM 0 HB3 LEU A 23 9.845 0.653 4.206 1.00 10.00 H new ATOM 0 HG LEU A 23 9.296 3.207 3.684 1.00 10.00 H new ATOM 0 HD11 LEU A 23 6.852 3.600 3.538 1.00 10.00 H new ATOM 0 HD12 LEU A 23 7.442 2.701 2.120 1.00 10.00 H new ATOM 0 HD13 LEU A 23 6.578 1.846 3.420 1.00 10.00 H new ATOM 0 HD21 LEU A 23 7.933 3.281 5.762 1.00 10.00 H new ATOM 0 HD22 LEU A 23 7.665 1.525 5.646 1.00 10.00 H new ATOM 0 HD23 LEU A 23 9.303 2.157 5.935 1.00 10.00 H new ATOM 392 N LYS A 24 11.160 -0.815 1.770 1.00 10.00 N ATOM 393 CA LYS A 24 12.366 -1.702 1.724 1.00 10.00 C ATOM 394 C LYS A 24 13.393 -1.137 0.731 1.00 10.00 C ATOM 395 O LYS A 24 14.584 -1.155 0.980 1.00 10.00 O ATOM 396 CB LYS A 24 11.848 -3.064 1.245 1.00 10.00 C ATOM 397 CG LYS A 24 12.460 -4.176 2.101 1.00 10.00 C ATOM 398 CD LYS A 24 11.806 -5.516 1.745 1.00 10.00 C ATOM 399 CE LYS A 24 12.557 -6.164 0.577 1.00 10.00 C ATOM 400 NZ LYS A 24 13.716 -6.870 1.198 1.00 10.00 N ATOM 0 H LYS A 24 10.285 -1.263 1.499 1.00 10.00 H new ATOM 0 HA LYS A 24 12.861 -1.777 2.692 1.00 10.00 H new ATOM 0 HB2 LYS A 24 10.761 -3.095 1.313 1.00 10.00 H new ATOM 0 HB3 LYS A 24 12.106 -3.214 0.197 1.00 10.00 H new ATOM 0 HG2 LYS A 24 13.536 -4.228 1.933 1.00 10.00 H new ATOM 0 HG3 LYS A 24 12.313 -3.957 3.159 1.00 10.00 H new ATOM 0 HD2 LYS A 24 11.818 -6.179 2.610 1.00 10.00 H new ATOM 0 HD3 LYS A 24 10.761 -5.362 1.477 1.00 10.00 H new ATOM 0 HE2 LYS A 24 11.917 -6.860 0.035 1.00 10.00 H new ATOM 0 HE3 LYS A 24 12.891 -5.414 -0.140 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 14.485 -6.952 0.503 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 14.050 -6.331 2.022 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 13.421 -7.820 1.502 1.00 10.00 H new ATOM 414 N ALA A 25 12.932 -0.622 -0.385 1.00 10.00 N ATOM 415 CA ALA A 25 13.870 -0.037 -1.393 1.00 10.00 C ATOM 416 C ALA A 25 14.374 1.332 -0.912 1.00 10.00 C ATOM 417 O ALA A 25 15.464 1.753 -1.250 1.00 10.00 O ATOM 418 CB ALA A 25 13.040 0.115 -2.671 1.00 10.00 C ATOM 0 H ALA A 25 11.945 -0.582 -0.640 1.00 10.00 H new ATOM 0 HA ALA A 25 14.748 -0.663 -1.552 1.00 10.00 H new ATOM 0 HB1 ALA A 25 13.661 0.540 -3.460 1.00 10.00 H new ATOM 0 HB2 ALA A 25 12.673 -0.862 -2.985 1.00 10.00 H new ATOM 0 HB3 ALA A 25 12.195 0.776 -2.479 1.00 10.00 H new ATOM 424 N LYS A 26 13.587 2.024 -0.118 1.00 10.00 N ATOM 425 CA LYS A 26 14.012 3.364 0.401 1.00 10.00 C ATOM 426 C LYS A 26 15.250 3.234 1.305 1.00 10.00 C ATOM 427 O LYS A 26 15.972 4.192 1.512 1.00 10.00 O ATOM 428 CB LYS A 26 12.811 3.874 1.203 1.00 10.00 C ATOM 429 CG LYS A 26 12.989 5.364 1.512 1.00 10.00 C ATOM 430 CD LYS A 26 12.539 5.647 2.948 1.00 10.00 C ATOM 431 CE LYS A 26 13.378 6.789 3.534 1.00 10.00 C ATOM 432 NZ LYS A 26 12.834 7.010 4.906 1.00 10.00 N ATOM 0 H LYS A 26 12.666 1.716 0.193 1.00 10.00 H new ATOM 0 HA LYS A 26 14.289 4.044 -0.405 1.00 10.00 H new ATOM 0 HB2 LYS A 26 11.892 3.717 0.638 1.00 10.00 H new ATOM 0 HB3 LYS A 26 12.715 3.310 2.131 1.00 10.00 H new ATOM 0 HG2 LYS A 26 14.033 5.650 1.384 1.00 10.00 H new ATOM 0 HG3 LYS A 26 12.406 5.963 0.813 1.00 10.00 H new ATOM 0 HD2 LYS A 26 11.482 5.914 2.963 1.00 10.00 H new ATOM 0 HD3 LYS A 26 12.650 4.751 3.558 1.00 10.00 H new ATOM 0 HE2 LYS A 26 14.435 6.524 3.567 1.00 10.00 H new ATOM 0 HE3 LYS A 26 13.294 7.691 2.927 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 13.360 7.779 5.369 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 11.828 7.268 4.843 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 12.934 6.138 5.464 1.00 10.00 H new ATOM 446 N LEU A 27 15.501 2.063 1.847 1.00 10.00 N ATOM 447 CA LEU A 27 16.692 1.881 2.735 1.00 10.00 C ATOM 448 C LEU A 27 17.979 1.827 1.891 1.00 10.00 C ATOM 449 O LEU A 27 17.967 2.145 0.717 1.00 10.00 O ATOM 450 CB LEU A 27 16.452 0.548 3.455 1.00 10.00 C ATOM 451 CG LEU A 27 16.315 0.794 4.962 1.00 10.00 C ATOM 452 CD1 LEU A 27 15.483 -0.326 5.590 1.00 10.00 C ATOM 453 CD2 LEU A 27 17.704 0.817 5.608 1.00 10.00 C ATOM 0 H LEU A 27 14.932 1.228 1.712 1.00 10.00 H new ATOM 0 HA LEU A 27 16.814 2.703 3.441 1.00 10.00 H new ATOM 0 HB2 LEU A 27 15.549 0.073 3.070 1.00 10.00 H new ATOM 0 HB3 LEU A 27 17.279 -0.135 3.262 1.00 10.00 H new ATOM 0 HG LEU A 27 15.821 1.752 5.127 1.00 10.00 H new ATOM 0 HD11 LEU A 27 15.386 -0.150 6.661 1.00 10.00 H new ATOM 0 HD12 LEU A 27 14.493 -0.343 5.134 1.00 10.00 H new ATOM 0 HD13 LEU A 27 15.976 -1.283 5.422 1.00 10.00 H new ATOM 0 HD21 LEU A 27 17.604 0.992 6.679 1.00 10.00 H new ATOM 0 HD22 LEU A 27 18.199 -0.140 5.441 1.00 10.00 H new ATOM 0 HD23 LEU A 27 18.299 1.615 5.164 1.00 10.00 H new ATOM 465 N MET A 28 19.085 1.430 2.492 1.00 10.00 N ATOM 466 CA MET A 28 20.396 1.348 1.755 1.00 10.00 C ATOM 467 C MET A 28 20.926 2.757 1.433 1.00 10.00 C ATOM 468 O MET A 28 20.175 3.624 1.028 1.00 10.00 O ATOM 469 CB MET A 28 20.112 0.562 0.467 1.00 10.00 C ATOM 470 CG MET A 28 21.424 0.039 -0.122 1.00 10.00 C ATOM 471 SD MET A 28 22.026 -1.347 0.875 1.00 10.00 S ATOM 472 CE MET A 28 23.716 -1.379 0.227 1.00 10.00 C ATOM 0 H MET A 28 19.134 1.156 3.473 1.00 10.00 H new ATOM 0 HA MET A 28 21.161 0.856 2.356 1.00 10.00 H new ATOM 0 HB2 MET A 28 19.441 -0.270 0.679 1.00 10.00 H new ATOM 0 HB3 MET A 28 19.608 1.202 -0.257 1.00 10.00 H new ATOM 0 HG2 MET A 28 21.270 -0.281 -1.153 1.00 10.00 H new ATOM 0 HG3 MET A 28 22.168 0.835 -0.143 1.00 10.00 H new ATOM 0 HE1 MET A 28 24.043 -2.413 0.114 1.00 10.00 H new ATOM 0 HE2 MET A 28 23.743 -0.882 -0.743 1.00 10.00 H new ATOM 0 HE3 MET A 28 24.381 -0.861 0.919 1.00 10.00 H new ATOM 482 N PRO A 29 22.215 2.939 1.626 1.00 10.00 N ATOM 483 CA PRO A 29 22.848 4.256 1.350 1.00 10.00 C ATOM 484 C PRO A 29 22.952 4.510 -0.160 1.00 10.00 C ATOM 485 O PRO A 29 22.510 3.710 -0.966 1.00 10.00 O ATOM 486 CB PRO A 29 24.236 4.126 1.973 1.00 10.00 C ATOM 487 CG PRO A 29 24.517 2.658 1.995 1.00 10.00 C ATOM 488 CD PRO A 29 23.191 1.954 2.115 1.00 10.00 C ATOM 0 HA PRO A 29 22.276 5.091 1.755 1.00 10.00 H new ATOM 0 HB2 PRO A 29 24.983 4.662 1.387 1.00 10.00 H new ATOM 0 HB3 PRO A 29 24.258 4.547 2.978 1.00 10.00 H new ATOM 0 HG2 PRO A 29 25.035 2.351 1.086 1.00 10.00 H new ATOM 0 HG3 PRO A 29 25.166 2.403 2.833 1.00 10.00 H new ATOM 0 HD2 PRO A 29 23.169 1.042 1.519 1.00 10.00 H new ATOM 0 HD3 PRO A 29 22.984 1.666 3.146 1.00 10.00 H new ATOM 496 N GLN A 30 23.537 5.624 -0.540 1.00 10.00 N ATOM 497 CA GLN A 30 23.685 5.966 -1.993 1.00 10.00 C ATOM 498 C GLN A 30 22.313 5.974 -2.686 1.00 10.00 C ATOM 499 O GLN A 30 22.088 5.267 -3.652 1.00 10.00 O ATOM 500 CB GLN A 30 24.594 4.876 -2.577 1.00 10.00 C ATOM 501 CG GLN A 30 25.274 5.400 -3.846 1.00 10.00 C ATOM 502 CD GLN A 30 25.074 4.399 -4.986 1.00 10.00 C ATOM 503 OE1 GLN A 30 25.978 3.665 -5.330 1.00 10.00 O ATOM 504 NE2 GLN A 30 23.919 4.337 -5.593 1.00 10.00 N ATOM 0 H GLN A 30 23.922 6.317 0.102 1.00 10.00 H new ATOM 0 HA GLN A 30 24.110 6.959 -2.139 1.00 10.00 H new ATOM 0 HB2 GLN A 30 25.346 4.584 -1.844 1.00 10.00 H new ATOM 0 HB3 GLN A 30 24.009 3.985 -2.807 1.00 10.00 H new ATOM 0 HG2 GLN A 30 24.856 6.368 -4.121 1.00 10.00 H new ATOM 0 HG3 GLN A 30 26.338 5.552 -3.664 1.00 10.00 H new ATOM 0 HE21 GLN A 30 23.158 4.953 -5.306 1.00 10.00 H new ATOM 0 HE22 GLN A 30 23.778 3.673 -6.354 1.00 10.00 H new ATOM 513 N LEU A 31 21.396 6.773 -2.197 1.00 10.00 N ATOM 514 CA LEU A 31 20.036 6.834 -2.818 1.00 10.00 C ATOM 515 C LEU A 31 19.664 8.286 -3.148 1.00 10.00 C ATOM 516 O LEU A 31 19.869 9.143 -2.302 1.00 10.00 O ATOM 517 CB LEU A 31 19.088 6.260 -1.760 1.00 10.00 C ATOM 518 CG LEU A 31 18.455 4.967 -2.281 1.00 10.00 C ATOM 519 CD1 LEU A 31 19.472 3.825 -2.197 1.00 10.00 C ATOM 520 CD2 LEU A 31 17.232 4.621 -1.428 1.00 10.00 C ATOM 521 OXT LEU A 31 19.179 8.516 -4.243 1.00 10.00 O ATOM 0 H LEU A 31 21.531 7.386 -1.393 1.00 10.00 H new ATOM 0 HA LEU A 31 19.986 6.277 -3.753 1.00 10.00 H new ATOM 0 HB2 LEU A 31 19.634 6.063 -0.837 1.00 10.00 H new ATOM 0 HB3 LEU A 31 18.311 6.986 -1.522 1.00 10.00 H new ATOM 0 HG LEU A 31 18.152 5.106 -3.319 1.00 10.00 H new ATOM 0 HD11 LEU A 31 19.019 2.906 -2.568 1.00 10.00 H new ATOM 0 HD12 LEU A 31 20.345 4.070 -2.803 1.00 10.00 H new ATOM 0 HD13 LEU A 31 19.778 3.685 -1.160 1.00 10.00 H new ATOM 0 HD21 LEU A 31 16.780 3.701 -1.797 1.00 10.00 H new ATOM 0 HD22 LEU A 31 17.539 4.484 -0.391 1.00 10.00 H new ATOM 0 HD23 LEU A 31 16.506 5.432 -1.488 1.00 10.00 H new TER 533 LEU A 31