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+ 155:sc= 0.0801 (180deg=0.00423) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0544 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 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 81:sc= 0.121 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= -0.183 X(o=-0.18,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -24.161 -2.701 -0.895 1.00 10.00 N ATOM 2 CA SER A 1 -24.573 -2.221 0.460 1.00 10.00 C ATOM 3 C SER A 1 -24.014 -3.145 1.551 1.00 10.00 C ATOM 4 O SER A 1 -23.280 -2.713 2.420 1.00 10.00 O ATOM 5 CB SER A 1 -26.104 -2.259 0.456 1.00 10.00 C ATOM 6 OG SER A 1 -26.591 -1.484 -0.633 1.00 10.00 O ATOM 0 H1 SER A 1 -24.845 -2.367 -1.604 1.00 10.00 H new ATOM 0 H2 SER A 1 -23.217 -2.329 -1.123 1.00 10.00 H new ATOM 0 H3 SER A 1 -24.135 -3.741 -0.902 1.00 10.00 H new ATOM 0 HA SER A 1 -24.193 -1.221 0.669 1.00 10.00 H new ATOM 0 HB2 SER A 1 -26.453 -3.288 0.370 1.00 10.00 H new ATOM 0 HB3 SER A 1 -26.491 -1.869 1.397 1.00 10.00 H new ATOM 0 HG SER A 1 -27.571 -1.508 -0.639 1.00 10.00 H new ATOM 14 N GLY A 2 -24.353 -4.413 1.513 1.00 10.00 N ATOM 15 CA GLY A 2 -23.842 -5.363 2.547 1.00 10.00 C ATOM 16 C GLY A 2 -22.455 -5.869 2.144 1.00 10.00 C ATOM 17 O GLY A 2 -22.136 -5.957 0.973 1.00 10.00 O ATOM 0 H GLY A 2 -24.962 -4.829 0.809 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -23.791 -4.867 3.516 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -24.529 -6.203 2.654 1.00 10.00 H new ATOM 21 N SER A 3 -21.629 -6.202 3.112 1.00 10.00 N ATOM 22 CA SER A 3 -20.248 -6.707 2.811 1.00 10.00 C ATOM 23 C SER A 3 -19.470 -5.686 1.968 1.00 10.00 C ATOM 24 O SER A 3 -18.798 -6.033 1.013 1.00 10.00 O ATOM 25 CB SER A 3 -20.456 -8.012 2.035 1.00 10.00 C ATOM 26 OG SER A 3 -19.602 -9.017 2.568 1.00 10.00 O ATOM 0 H SER A 3 -21.855 -6.145 4.105 1.00 10.00 H new ATOM 0 HA SER A 3 -19.665 -6.866 3.718 1.00 10.00 H new ATOM 0 HB2 SER A 3 -21.497 -8.328 2.105 1.00 10.00 H new ATOM 0 HB3 SER A 3 -20.240 -7.858 0.978 1.00 10.00 H new ATOM 0 HG SER A 3 -19.734 -9.854 2.075 1.00 10.00 H new ATOM 32 N TRP A 4 -19.557 -4.426 2.317 1.00 10.00 N ATOM 33 CA TRP A 4 -18.824 -3.379 1.541 1.00 10.00 C ATOM 34 C TRP A 4 -17.333 -3.386 1.903 1.00 10.00 C ATOM 35 O TRP A 4 -16.947 -3.175 3.037 1.00 10.00 O ATOM 36 CB TRP A 4 -19.493 -2.031 1.886 1.00 10.00 C ATOM 37 CG TRP A 4 -19.359 -1.697 3.347 1.00 10.00 C ATOM 38 CD1 TRP A 4 -20.190 -2.121 4.328 1.00 10.00 C ATOM 39 CD2 TRP A 4 -18.361 -0.855 3.996 1.00 10.00 C ATOM 40 NE1 TRP A 4 -19.756 -1.604 5.536 1.00 10.00 N ATOM 41 CE2 TRP A 4 -18.633 -0.817 5.383 1.00 10.00 C ATOM 42 CE3 TRP A 4 -17.253 -0.134 3.520 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -17.837 -0.087 6.267 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -16.450 0.603 4.404 1.00 10.00 C ATOM 45 CH2 TRP A 4 -16.740 0.626 5.775 1.00 10.00 C ATOM 0 H TRP A 4 -20.103 -4.078 3.105 1.00 10.00 H new ATOM 0 HA TRP A 4 -18.877 -3.564 0.468 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -19.042 -1.238 1.289 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -20.549 -2.070 1.618 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -21.051 -2.758 4.190 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -20.211 -1.783 6.431 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -17.018 -0.147 2.466 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -18.067 -0.073 7.322 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -15.603 1.156 4.025 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -16.117 1.194 6.450 1.00 10.00 H new ATOM 56 N LEU A 5 -16.496 -3.654 0.935 1.00 10.00 N ATOM 57 CA LEU A 5 -15.024 -3.701 1.194 1.00 10.00 C ATOM 58 C LEU A 5 -14.265 -2.729 0.274 1.00 10.00 C ATOM 59 O LEU A 5 -13.195 -2.264 0.613 1.00 10.00 O ATOM 60 CB LEU A 5 -14.623 -5.148 0.897 1.00 10.00 C ATOM 61 CG LEU A 5 -13.588 -5.621 1.921 1.00 10.00 C ATOM 62 CD1 LEU A 5 -14.237 -5.730 3.304 1.00 10.00 C ATOM 63 CD2 LEU A 5 -13.056 -6.992 1.500 1.00 10.00 C ATOM 0 H LEU A 5 -16.769 -3.843 -0.029 1.00 10.00 H new ATOM 0 HA LEU A 5 -14.782 -3.403 2.214 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -15.501 -5.792 0.930 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -14.212 -5.222 -0.110 1.00 10.00 H new ATOM 0 HG LEU A 5 -12.769 -4.904 1.966 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -13.495 -6.067 4.028 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -14.620 -4.755 3.604 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -15.058 -6.446 3.265 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -12.318 -7.334 2.226 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -13.880 -7.704 1.457 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -12.590 -6.916 0.517 1.00 10.00 H new ATOM 75 N ARG A 6 -14.804 -2.412 -0.880 1.00 10.00 N ATOM 76 CA ARG A 6 -14.097 -1.464 -1.799 1.00 10.00 C ATOM 77 C ARG A 6 -13.912 -0.103 -1.112 1.00 10.00 C ATOM 78 O ARG A 6 -12.919 0.572 -1.313 1.00 10.00 O ATOM 79 CB ARG A 6 -15.003 -1.331 -3.027 1.00 10.00 C ATOM 80 CG ARG A 6 -14.573 -2.343 -4.092 1.00 10.00 C ATOM 81 CD ARG A 6 -15.541 -3.533 -4.096 1.00 10.00 C ATOM 82 NE ARG A 6 -16.115 -3.559 -5.472 1.00 10.00 N ATOM 83 CZ ARG A 6 -17.356 -3.201 -5.672 1.00 10.00 C ATOM 84 NH1 ARG A 6 -17.696 -1.941 -5.569 1.00 10.00 N ATOM 85 NH2 ARG A 6 -18.255 -4.101 -5.975 1.00 10.00 N ATOM 0 H ARG A 6 -15.697 -2.766 -1.223 1.00 10.00 H new ATOM 0 HA ARG A 6 -13.104 -1.822 -2.072 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -16.042 -1.503 -2.746 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -14.944 -0.319 -3.427 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -14.560 -1.869 -5.074 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -13.559 -2.688 -3.891 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -15.023 -4.464 -3.867 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -16.321 -3.410 -3.345 1.00 10.00 H new ATOM 0 HE ARG A 6 -15.538 -3.857 -6.259 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -16.993 -1.241 -5.333 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -18.664 -1.660 -5.725 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -17.988 -5.082 -6.055 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -19.224 -3.822 -6.131 1.00 10.00 H new ATOM 99 N ASP A 7 -14.859 0.295 -0.297 1.00 10.00 N ATOM 100 CA ASP A 7 -14.744 1.605 0.414 1.00 10.00 C ATOM 101 C ASP A 7 -13.815 1.474 1.631 1.00 10.00 C ATOM 102 O ASP A 7 -13.038 2.365 1.919 1.00 10.00 O ATOM 103 CB ASP A 7 -16.171 1.945 0.855 1.00 10.00 C ATOM 104 CG ASP A 7 -16.201 3.347 1.468 1.00 10.00 C ATOM 105 OD1 ASP A 7 -16.278 4.300 0.710 1.00 10.00 O ATOM 106 OD2 ASP A 7 -16.148 3.442 2.683 1.00 10.00 O ATOM 0 H ASP A 7 -15.708 -0.233 -0.094 1.00 10.00 H new ATOM 0 HA ASP A 7 -14.319 2.382 -0.221 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -16.847 1.896 0.001 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -16.522 1.212 1.582 1.00 10.00 H new ATOM 111 N ILE A 8 -13.884 0.372 2.346 1.00 10.00 N ATOM 112 CA ILE A 8 -12.998 0.195 3.541 1.00 10.00 C ATOM 113 C ILE A 8 -11.543 -0.036 3.107 1.00 10.00 C ATOM 114 O ILE A 8 -10.620 0.267 3.837 1.00 10.00 O ATOM 115 CB ILE A 8 -13.553 -1.023 4.303 1.00 10.00 C ATOM 116 CG1 ILE A 8 -13.174 -0.899 5.781 1.00 10.00 C ATOM 117 CG2 ILE A 8 -12.970 -2.327 3.744 1.00 10.00 C ATOM 118 CD1 ILE A 8 -14.135 -1.735 6.630 1.00 10.00 C ATOM 0 H ILE A 8 -14.513 -0.408 2.153 1.00 10.00 H new ATOM 0 HA ILE A 8 -12.993 1.083 4.173 1.00 10.00 H new ATOM 0 HB ILE A 8 -14.636 -1.047 4.186 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -12.149 -1.238 5.934 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -13.214 0.145 6.091 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -13.376 -3.174 4.297 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -13.234 -2.422 2.691 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -11.885 -2.314 3.846 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -13.863 -1.645 7.682 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -15.154 -1.376 6.486 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -14.073 -2.780 6.327 1.00 10.00 H new ATOM 130 N TRP A 9 -11.332 -0.570 1.927 1.00 10.00 N ATOM 131 CA TRP A 9 -9.935 -0.818 1.451 1.00 10.00 C ATOM 132 C TRP A 9 -9.152 0.498 1.385 1.00 10.00 C ATOM 133 O TRP A 9 -7.982 0.539 1.707 1.00 10.00 O ATOM 134 CB TRP A 9 -10.077 -1.423 0.050 1.00 10.00 C ATOM 135 CG TRP A 9 -10.120 -2.919 0.138 1.00 10.00 C ATOM 136 CD1 TRP A 9 -10.559 -3.629 1.206 1.00 10.00 C ATOM 137 CD2 TRP A 9 -9.721 -3.898 -0.865 1.00 10.00 C ATOM 138 NE1 TRP A 9 -10.451 -4.977 0.921 1.00 10.00 N ATOM 139 CE2 TRP A 9 -9.940 -5.193 -0.342 1.00 10.00 C ATOM 140 CE3 TRP A 9 -9.193 -3.787 -2.164 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -9.648 -6.340 -1.083 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -8.898 -4.937 -2.912 1.00 10.00 C ATOM 143 CH2 TRP A 9 -9.124 -6.211 -2.372 1.00 10.00 C ATOM 0 H TRP A 9 -12.066 -0.844 1.274 1.00 10.00 H new ATOM 0 HA TRP A 9 -9.392 -1.481 2.124 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -10.986 -1.052 -0.424 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -9.241 -1.111 -0.576 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -10.932 -3.210 2.129 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -10.717 -5.721 1.566 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -9.013 -2.810 -2.588 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -9.826 -7.319 -0.663 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -8.495 -4.840 -3.909 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -8.893 -7.092 -2.952 1.00 10.00 H new ATOM 154 N ASP A 10 -9.791 1.571 0.977 1.00 10.00 N ATOM 155 CA ASP A 10 -9.083 2.888 0.898 1.00 10.00 C ATOM 156 C ASP A 10 -8.447 3.231 2.254 1.00 10.00 C ATOM 157 O ASP A 10 -7.343 3.738 2.317 1.00 10.00 O ATOM 158 CB ASP A 10 -10.172 3.905 0.536 1.00 10.00 C ATOM 159 CG ASP A 10 -9.576 5.315 0.500 1.00 10.00 C ATOM 160 OD1 ASP A 10 -8.609 5.514 -0.218 1.00 10.00 O ATOM 161 OD2 ASP A 10 -10.103 6.174 1.188 1.00 10.00 O ATOM 0 H ASP A 10 -10.771 1.590 0.696 1.00 10.00 H new ATOM 0 HA ASP A 10 -8.276 2.881 0.165 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -10.604 3.658 -0.434 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.980 3.861 1.266 1.00 10.00 H new ATOM 166 N TRP A 11 -9.135 2.941 3.336 1.00 10.00 N ATOM 167 CA TRP A 11 -8.572 3.228 4.693 1.00 10.00 C ATOM 168 C TRP A 11 -7.236 2.486 4.862 1.00 10.00 C ATOM 169 O TRP A 11 -6.238 3.067 5.247 1.00 10.00 O ATOM 170 CB TRP A 11 -9.653 2.723 5.678 1.00 10.00 C ATOM 171 CG TRP A 11 -9.051 2.099 6.909 1.00 10.00 C ATOM 172 CD1 TRP A 11 -7.954 2.547 7.562 1.00 10.00 C ATOM 173 CD2 TRP A 11 -9.509 0.929 7.646 1.00 10.00 C ATOM 174 NE1 TRP A 11 -7.707 1.723 8.645 1.00 10.00 N ATOM 175 CE2 TRP A 11 -8.640 0.713 8.741 1.00 10.00 C ATOM 176 CE3 TRP A 11 -10.583 0.043 7.469 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -8.832 -0.347 9.629 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -10.780 -1.025 8.360 1.00 10.00 C ATOM 179 CH2 TRP A 11 -9.907 -1.219 9.438 1.00 10.00 C ATOM 0 H TRP A 11 -10.063 2.518 3.335 1.00 10.00 H new ATOM 0 HA TRP A 11 -8.355 4.283 4.862 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -10.294 3.555 5.970 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -10.288 1.993 5.176 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -7.366 3.409 7.283 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -6.929 1.848 9.293 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -11.263 0.183 6.642 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -8.155 -0.492 10.458 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -11.610 -1.701 8.213 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -10.064 -2.041 10.120 1.00 10.00 H new ATOM 190 N ILE A 12 -7.211 1.211 4.566 1.00 10.00 N ATOM 191 CA ILE A 12 -5.940 0.434 4.702 1.00 10.00 C ATOM 192 C ILE A 12 -5.005 0.744 3.524 1.00 10.00 C ATOM 193 O ILE A 12 -3.801 0.642 3.643 1.00 10.00 O ATOM 194 CB ILE A 12 -6.357 -1.041 4.678 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.424 -1.308 5.747 1.00 10.00 C ATOM 196 CG2 ILE A 12 -5.137 -1.927 4.950 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.651 -1.933 5.084 1.00 10.00 C ATOM 0 H ILE A 12 -8.014 0.675 4.237 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.403 0.686 5.617 1.00 10.00 H new ATOM 0 HB ILE A 12 -6.768 -1.273 3.695 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -7.030 -1.975 6.513 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.698 -0.378 6.245 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -5.437 -2.975 4.932 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.382 -1.753 4.183 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -4.722 -1.685 5.929 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -9.414 -2.126 5.838 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.047 -1.249 4.334 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.368 -2.871 4.606 1.00 10.00 H new ATOM 209 N CYS A 13 -5.553 1.121 2.390 1.00 10.00 N ATOM 210 CA CYS A 13 -4.700 1.438 1.204 1.00 10.00 C ATOM 211 C CYS A 13 -3.705 2.552 1.550 1.00 10.00 C ATOM 212 O CYS A 13 -2.545 2.484 1.190 1.00 10.00 O ATOM 213 CB CYS A 13 -5.672 1.902 0.115 1.00 10.00 C ATOM 214 SG CYS A 13 -4.777 2.120 -1.444 1.00 10.00 S ATOM 0 H CYS A 13 -6.557 1.222 2.238 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.115 0.578 0.880 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.469 1.170 -0.011 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.144 2.839 0.410 1.00 10.00 H new ATOM 0 HG CYS A 13 -5.604 2.512 -2.368 1.00 10.00 H new ATOM 220 N GLU A 14 -4.145 3.567 2.257 1.00 10.00 N ATOM 221 CA GLU A 14 -3.220 4.678 2.640 1.00 10.00 C ATOM 222 C GLU A 14 -2.113 4.137 3.555 1.00 10.00 C ATOM 223 O GLU A 14 -0.943 4.399 3.349 1.00 10.00 O ATOM 224 CB GLU A 14 -4.093 5.694 3.388 1.00 10.00 C ATOM 225 CG GLU A 14 -3.348 7.030 3.498 1.00 10.00 C ATOM 226 CD GLU A 14 -4.109 8.113 2.728 1.00 10.00 C ATOM 227 OE1 GLU A 14 -4.175 8.016 1.512 1.00 10.00 O ATOM 228 OE2 GLU A 14 -4.610 9.025 3.367 1.00 10.00 O ATOM 0 H GLU A 14 -5.105 3.672 2.585 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.733 5.130 1.776 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -5.037 5.835 2.862 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -4.335 5.318 4.382 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -3.249 7.317 4.545 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -2.339 6.928 3.099 1.00 10.00 H new ATOM 235 N VAL A 15 -2.481 3.368 4.552 1.00 10.00 N ATOM 236 CA VAL A 15 -1.456 2.788 5.478 1.00 10.00 C ATOM 237 C VAL A 15 -0.571 1.793 4.713 1.00 10.00 C ATOM 238 O VAL A 15 0.616 1.688 4.961 1.00 10.00 O ATOM 239 CB VAL A 15 -2.251 2.066 6.577 1.00 10.00 C ATOM 240 CG1 VAL A 15 -1.290 1.552 7.651 1.00 10.00 C ATOM 241 CG2 VAL A 15 -3.253 3.035 7.220 1.00 10.00 C ATOM 0 H VAL A 15 -3.446 3.117 4.765 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.802 3.552 5.898 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.790 1.229 6.133 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -1.855 1.040 8.430 1.00 10.00 H new ATOM 0 HG12 VAL A 15 -0.580 0.857 7.202 1.00 10.00 H new ATOM 0 HG13 VAL A 15 -0.749 2.392 8.087 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -3.813 2.516 7.998 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -2.716 3.876 7.659 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.943 3.402 6.460 1.00 10.00 H new ATOM 251 N LEU A 16 -1.144 1.068 3.779 1.00 10.00 N ATOM 252 CA LEU A 16 -0.344 0.084 2.985 1.00 10.00 C ATOM 253 C LEU A 16 0.644 0.828 2.082 1.00 10.00 C ATOM 254 O LEU A 16 1.792 0.445 1.968 1.00 10.00 O ATOM 255 CB LEU A 16 -1.368 -0.692 2.149 1.00 10.00 C ATOM 256 CG LEU A 16 -0.801 -2.066 1.779 1.00 10.00 C ATOM 257 CD1 LEU A 16 -0.841 -2.987 3.001 1.00 10.00 C ATOM 258 CD2 LEU A 16 -1.644 -2.678 0.657 1.00 10.00 C ATOM 0 H LEU A 16 -2.133 1.117 3.534 1.00 10.00 H new ATOM 0 HA LEU A 16 0.240 -0.584 3.618 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.295 -0.810 2.710 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.612 -0.133 1.245 1.00 10.00 H new ATOM 0 HG LEU A 16 0.230 -1.952 1.445 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -0.437 -3.963 2.734 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -0.243 -2.554 3.803 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -1.872 -3.100 3.338 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -1.242 -3.656 0.392 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.674 -2.788 0.995 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -1.616 -2.026 -0.216 1.00 10.00 H new ATOM 270 N SER A 17 0.210 1.897 1.454 1.00 10.00 N ATOM 271 CA SER A 17 1.132 2.680 0.573 1.00 10.00 C ATOM 272 C SER A 17 2.320 3.186 1.397 1.00 10.00 C ATOM 273 O SER A 17 3.451 3.151 0.952 1.00 10.00 O ATOM 274 CB SER A 17 0.298 3.849 0.048 1.00 10.00 C ATOM 275 OG SER A 17 -0.405 3.437 -1.118 1.00 10.00 O ATOM 0 H SER A 17 -0.742 2.259 1.514 1.00 10.00 H new ATOM 0 HA SER A 17 1.535 2.083 -0.245 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.405 4.182 0.812 1.00 10.00 H new ATOM 0 HB3 SER A 17 0.943 4.697 -0.183 1.00 10.00 H new ATOM 0 HG SER A 17 -0.942 4.183 -1.457 1.00 10.00 H new ATOM 281 N ASP A 18 2.067 3.632 2.606 1.00 10.00 N ATOM 282 CA ASP A 18 3.177 4.118 3.482 1.00 10.00 C ATOM 283 C ASP A 18 4.187 2.985 3.698 1.00 10.00 C ATOM 284 O ASP A 18 5.386 3.195 3.667 1.00 10.00 O ATOM 285 CB ASP A 18 2.506 4.497 4.808 1.00 10.00 C ATOM 286 CG ASP A 18 2.290 6.009 4.860 1.00 10.00 C ATOM 287 OD1 ASP A 18 1.311 6.469 4.297 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.105 6.682 5.466 1.00 10.00 O ATOM 0 H ASP A 18 1.137 3.680 3.023 1.00 10.00 H new ATOM 0 HA ASP A 18 3.715 4.961 3.049 1.00 10.00 H new ATOM 0 HB2 ASP A 18 1.551 3.980 4.905 1.00 10.00 H new ATOM 0 HB3 ASP A 18 3.127 4.179 5.645 1.00 10.00 H new ATOM 293 N PHE A 19 3.703 1.782 3.900 1.00 10.00 N ATOM 294 CA PHE A 19 4.620 0.619 4.102 1.00 10.00 C ATOM 295 C PHE A 19 5.365 0.304 2.798 1.00 10.00 C ATOM 296 O PHE A 19 6.528 -0.052 2.814 1.00 10.00 O ATOM 297 CB PHE A 19 3.709 -0.547 4.502 1.00 10.00 C ATOM 298 CG PHE A 19 4.504 -1.561 5.290 1.00 10.00 C ATOM 299 CD1 PHE A 19 4.701 -1.382 6.666 1.00 10.00 C ATOM 300 CD2 PHE A 19 5.045 -2.680 4.646 1.00 10.00 C ATOM 301 CE1 PHE A 19 5.439 -2.322 7.395 1.00 10.00 C ATOM 302 CE2 PHE A 19 5.782 -3.619 5.377 1.00 10.00 C ATOM 303 CZ PHE A 19 5.979 -3.441 6.751 1.00 10.00 C ATOM 0 H PHE A 19 2.709 1.557 3.933 1.00 10.00 H new ATOM 0 HA PHE A 19 5.377 0.816 4.861 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.873 -0.181 5.099 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.285 -1.013 3.612 1.00 10.00 H new ATOM 0 HD1 PHE A 19 4.284 -0.519 7.164 1.00 10.00 H new ATOM 0 HD2 PHE A 19 4.894 -2.819 3.586 1.00 10.00 H new ATOM 0 HE1 PHE A 19 5.592 -2.184 8.455 1.00 10.00 H new ATOM 0 HE2 PHE A 19 6.199 -4.482 4.880 1.00 10.00 H new ATOM 0 HZ PHE A 19 6.547 -4.167 7.314 1.00 10.00 H new ATOM 313 N LYS A 20 4.706 0.446 1.667 1.00 10.00 N ATOM 314 CA LYS A 20 5.380 0.170 0.360 1.00 10.00 C ATOM 315 C LYS A 20 6.557 1.136 0.169 1.00 10.00 C ATOM 316 O LYS A 20 7.623 0.747 -0.266 1.00 10.00 O ATOM 317 CB LYS A 20 4.306 0.407 -0.705 1.00 10.00 C ATOM 318 CG LYS A 20 4.751 -0.218 -2.029 1.00 10.00 C ATOM 319 CD LYS A 20 3.887 0.331 -3.167 1.00 10.00 C ATOM 320 CE LYS A 20 4.730 0.452 -4.440 1.00 10.00 C ATOM 321 NZ LYS A 20 3.902 1.265 -5.377 1.00 10.00 N ATOM 0 H LYS A 20 3.732 0.741 1.597 1.00 10.00 H new ATOM 0 HA LYS A 20 5.782 -0.842 0.304 1.00 10.00 H new ATOM 0 HB2 LYS A 20 3.360 -0.029 -0.385 1.00 10.00 H new ATOM 0 HB3 LYS A 20 4.137 1.476 -0.834 1.00 10.00 H new ATOM 0 HG2 LYS A 20 5.801 0.006 -2.215 1.00 10.00 H new ATOM 0 HG3 LYS A 20 4.661 -1.303 -1.980 1.00 10.00 H new ATOM 0 HD2 LYS A 20 3.037 -0.329 -3.343 1.00 10.00 H new ATOM 0 HD3 LYS A 20 3.483 1.305 -2.893 1.00 10.00 H new ATOM 0 HE2 LYS A 20 5.685 0.936 -4.236 1.00 10.00 H new ATOM 0 HE3 LYS A 20 4.953 -0.529 -4.860 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 4.414 1.391 -6.273 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 3.002 0.776 -5.558 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 3.711 2.196 -4.954 1.00 10.00 H new ATOM 335 N THR A 21 6.370 2.390 0.510 1.00 10.00 N ATOM 336 CA THR A 21 7.477 3.388 0.374 1.00 10.00 C ATOM 337 C THR A 21 8.609 3.034 1.348 1.00 10.00 C ATOM 338 O THR A 21 9.776 3.126 1.015 1.00 10.00 O ATOM 339 CB THR A 21 6.845 4.739 0.738 1.00 10.00 C ATOM 340 OG1 THR A 21 5.774 5.014 -0.159 1.00 10.00 O ATOM 341 CG2 THR A 21 7.896 5.850 0.645 1.00 10.00 C ATOM 0 H THR A 21 5.496 2.765 0.878 1.00 10.00 H new ATOM 0 HA THR A 21 7.907 3.406 -0.627 1.00 10.00 H new ATOM 0 HB THR A 21 6.465 4.697 1.759 1.00 10.00 H new ATOM 0 HG1 THR A 21 4.972 4.531 0.131 1.00 10.00 H new ATOM 0 HG21 THR A 21 7.440 6.805 0.905 1.00 10.00 H new ATOM 0 HG22 THR A 21 8.712 5.638 1.336 1.00 10.00 H new ATOM 0 HG23 THR A 21 8.285 5.898 -0.372 1.00 10.00 H new ATOM 349 N TRP A 22 8.265 2.615 2.543 1.00 10.00 N ATOM 350 CA TRP A 22 9.307 2.235 3.546 1.00 10.00 C ATOM 351 C TRP A 22 10.069 0.996 3.052 1.00 10.00 C ATOM 352 O TRP A 22 11.286 0.954 3.088 1.00 10.00 O ATOM 353 CB TRP A 22 8.523 1.931 4.832 1.00 10.00 C ATOM 354 CG TRP A 22 9.393 1.202 5.810 1.00 10.00 C ATOM 355 CD1 TRP A 22 10.246 1.786 6.683 1.00 10.00 C ATOM 356 CD2 TRP A 22 9.509 -0.235 6.026 1.00 10.00 C ATOM 357 NE1 TRP A 22 10.877 0.800 7.421 1.00 10.00 N ATOM 358 CE2 TRP A 22 10.456 -0.463 7.051 1.00 10.00 C ATOM 359 CE3 TRP A 22 8.889 -1.350 5.436 1.00 10.00 C ATOM 360 CZ2 TRP A 22 10.776 -1.754 7.476 1.00 10.00 C ATOM 361 CZ3 TRP A 22 9.209 -2.649 5.860 1.00 10.00 C ATOM 362 CH2 TRP A 22 10.150 -2.850 6.877 1.00 10.00 C ATOM 0 H TRP A 22 7.302 2.520 2.867 1.00 10.00 H new ATOM 0 HA TRP A 22 10.048 3.017 3.708 1.00 10.00 H new ATOM 0 HB2 TRP A 22 8.164 2.860 5.276 1.00 10.00 H new ATOM 0 HB3 TRP A 22 7.645 1.330 4.597 1.00 10.00 H new ATOM 0 HD1 TRP A 22 10.408 2.849 6.787 1.00 10.00 H new ATOM 0 HE1 TRP A 22 11.568 0.983 8.149 1.00 10.00 H new ATOM 0 HE3 TRP A 22 8.161 -1.206 4.651 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 11.502 -1.904 8.262 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 8.727 -3.498 5.399 1.00 10.00 H new ATOM 0 HH2 TRP A 22 10.392 -3.852 7.198 1.00 10.00 H new ATOM 373 N LEU A 23 9.362 -0.007 2.586 1.00 10.00 N ATOM 374 CA LEU A 23 10.042 -1.242 2.082 1.00 10.00 C ATOM 375 C LEU A 23 10.844 -0.919 0.818 1.00 10.00 C ATOM 376 O LEU A 23 11.976 -1.340 0.673 1.00 10.00 O ATOM 377 CB LEU A 23 8.920 -2.237 1.769 1.00 10.00 C ATOM 378 CG LEU A 23 9.106 -3.495 2.618 1.00 10.00 C ATOM 379 CD1 LEU A 23 7.786 -4.257 2.700 1.00 10.00 C ATOM 380 CD2 LEU A 23 10.173 -4.392 1.984 1.00 10.00 C ATOM 0 H LEU A 23 8.343 -0.023 2.533 1.00 10.00 H new ATOM 0 HA LEU A 23 10.741 -1.649 2.813 1.00 10.00 H new ATOM 0 HB2 LEU A 23 7.950 -1.785 1.976 1.00 10.00 H new ATOM 0 HB3 LEU A 23 8.932 -2.494 0.710 1.00 10.00 H new ATOM 0 HG LEU A 23 9.423 -3.208 3.621 1.00 10.00 H new ATOM 0 HD11 LEU A 23 7.920 -5.153 3.305 1.00 10.00 H new ATOM 0 HD12 LEU A 23 7.027 -3.622 3.156 1.00 10.00 H new ATOM 0 HD13 LEU A 23 7.467 -4.541 1.697 1.00 10.00 H new ATOM 0 HD21 LEU A 23 10.303 -5.288 2.591 1.00 10.00 H new ATOM 0 HD22 LEU A 23 9.859 -4.677 0.980 1.00 10.00 H new ATOM 0 HD23 LEU A 23 11.117 -3.851 1.929 1.00 10.00 H new ATOM 392 N LYS A 24 10.270 -0.165 -0.092 1.00 10.00 N ATOM 393 CA LYS A 24 11.007 0.197 -1.343 1.00 10.00 C ATOM 394 C LYS A 24 12.274 0.988 -0.993 1.00 10.00 C ATOM 395 O LYS A 24 13.308 0.819 -1.609 1.00 10.00 O ATOM 396 CB LYS A 24 10.037 1.065 -2.151 1.00 10.00 C ATOM 397 CG LYS A 24 10.553 1.211 -3.586 1.00 10.00 C ATOM 398 CD LYS A 24 10.540 2.687 -3.990 1.00 10.00 C ATOM 399 CE LYS A 24 9.252 2.998 -4.760 1.00 10.00 C ATOM 400 NZ LYS A 24 9.472 4.346 -5.360 1.00 10.00 N ATOM 0 H LYS A 24 9.325 0.214 -0.021 1.00 10.00 H new ATOM 0 HA LYS A 24 11.321 -0.683 -1.905 1.00 10.00 H new ATOM 0 HB2 LYS A 24 9.045 0.613 -2.155 1.00 10.00 H new ATOM 0 HB3 LYS A 24 9.939 2.047 -1.687 1.00 10.00 H new ATOM 0 HG2 LYS A 24 11.565 0.812 -3.662 1.00 10.00 H new ATOM 0 HG3 LYS A 24 9.930 0.632 -4.268 1.00 10.00 H new ATOM 0 HD2 LYS A 24 10.607 3.318 -3.104 1.00 10.00 H new ATOM 0 HD3 LYS A 24 11.409 2.913 -4.608 1.00 10.00 H new ATOM 0 HE2 LYS A 24 9.063 2.250 -5.530 1.00 10.00 H new ATOM 0 HE3 LYS A 24 8.387 2.998 -4.097 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 8.630 4.626 -5.903 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 9.642 5.039 -4.604 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 10.297 4.314 -5.992 1.00 10.00 H new ATOM 414 N ALA A 25 12.200 1.840 0.005 1.00 10.00 N ATOM 415 CA ALA A 25 13.397 2.634 0.414 1.00 10.00 C ATOM 416 C ALA A 25 14.386 1.746 1.182 1.00 10.00 C ATOM 417 O ALA A 25 15.586 1.896 1.064 1.00 10.00 O ATOM 418 CB ALA A 25 12.859 3.742 1.323 1.00 10.00 C ATOM 0 H ALA A 25 11.358 2.017 0.553 1.00 10.00 H new ATOM 0 HA ALA A 25 13.930 3.039 -0.446 1.00 10.00 H new ATOM 0 HB1 ALA A 25 13.685 4.367 1.663 1.00 10.00 H new ATOM 0 HB2 ALA A 25 12.146 4.353 0.769 1.00 10.00 H new ATOM 0 HB3 ALA A 25 12.363 3.296 2.185 1.00 10.00 H new ATOM 424 N LYS A 26 13.890 0.820 1.965 1.00 10.00 N ATOM 425 CA LYS A 26 14.799 -0.085 2.739 1.00 10.00 C ATOM 426 C LYS A 26 15.328 -1.225 1.851 1.00 10.00 C ATOM 427 O LYS A 26 16.172 -1.995 2.271 1.00 10.00 O ATOM 428 CB LYS A 26 13.934 -0.652 3.870 1.00 10.00 C ATOM 429 CG LYS A 26 13.859 0.359 5.021 1.00 10.00 C ATOM 430 CD LYS A 26 14.871 -0.019 6.107 1.00 10.00 C ATOM 431 CE LYS A 26 14.235 -1.018 7.081 1.00 10.00 C ATOM 432 NZ LYS A 26 15.365 -1.849 7.586 1.00 10.00 N ATOM 0 H LYS A 26 12.894 0.651 2.103 1.00 10.00 H new ATOM 0 HA LYS A 26 15.672 0.449 3.114 1.00 10.00 H new ATOM 0 HB2 LYS A 26 12.932 -0.871 3.500 1.00 10.00 H new ATOM 0 HB3 LYS A 26 14.355 -1.592 4.226 1.00 10.00 H new ATOM 0 HG2 LYS A 26 14.067 1.363 4.650 1.00 10.00 H new ATOM 0 HG3 LYS A 26 12.852 0.375 5.438 1.00 10.00 H new ATOM 0 HD2 LYS A 26 15.761 -0.455 5.653 1.00 10.00 H new ATOM 0 HD3 LYS A 26 15.193 0.873 6.644 1.00 10.00 H new ATOM 0 HE2 LYS A 26 13.730 -0.503 7.898 1.00 10.00 H new ATOM 0 HE3 LYS A 26 13.487 -1.633 6.581 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 15.003 -2.555 8.258 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 15.823 -2.334 6.788 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 16.058 -1.239 8.064 1.00 10.00 H new ATOM 446 N LEU A 27 14.840 -1.349 0.638 1.00 10.00 N ATOM 447 CA LEU A 27 15.317 -2.447 -0.259 1.00 10.00 C ATOM 448 C LEU A 27 16.277 -1.905 -1.329 1.00 10.00 C ATOM 449 O LEU A 27 17.308 -2.494 -1.590 1.00 10.00 O ATOM 450 CB LEU A 27 14.051 -3.013 -0.908 1.00 10.00 C ATOM 451 CG LEU A 27 14.406 -4.251 -1.739 1.00 10.00 C ATOM 452 CD1 LEU A 27 13.619 -5.460 -1.227 1.00 10.00 C ATOM 453 CD2 LEU A 27 14.054 -4.000 -3.207 1.00 10.00 C ATOM 0 H LEU A 27 14.132 -0.737 0.232 1.00 10.00 H new ATOM 0 HA LEU A 27 15.869 -3.207 0.293 1.00 10.00 H new ATOM 0 HB2 LEU A 27 13.323 -3.275 -0.140 1.00 10.00 H new ATOM 0 HB3 LEU A 27 13.587 -2.258 -1.543 1.00 10.00 H new ATOM 0 HG LEU A 27 15.474 -4.450 -1.649 1.00 10.00 H new ATOM 0 HD11 LEU A 27 13.874 -6.338 -1.820 1.00 10.00 H new ATOM 0 HD12 LEU A 27 13.871 -5.642 -0.182 1.00 10.00 H new ATOM 0 HD13 LEU A 27 12.551 -5.262 -1.313 1.00 10.00 H new ATOM 0 HD21 LEU A 27 14.307 -4.881 -3.797 1.00 10.00 H new ATOM 0 HD22 LEU A 27 12.987 -3.798 -3.296 1.00 10.00 H new ATOM 0 HD23 LEU A 27 14.618 -3.143 -3.575 1.00 10.00 H new ATOM 465 N MET A 28 15.947 -0.800 -1.957 1.00 10.00 N ATOM 466 CA MET A 28 16.851 -0.246 -3.016 1.00 10.00 C ATOM 467 C MET A 28 17.843 0.766 -2.413 1.00 10.00 C ATOM 468 O MET A 28 19.028 0.494 -2.377 1.00 10.00 O ATOM 469 CB MET A 28 15.926 0.412 -4.048 1.00 10.00 C ATOM 470 CG MET A 28 15.624 -0.579 -5.174 1.00 10.00 C ATOM 471 SD MET A 28 14.566 0.217 -6.411 1.00 10.00 S ATOM 472 CE MET A 28 15.678 0.023 -7.826 1.00 10.00 C ATOM 0 H MET A 28 15.098 -0.262 -1.784 1.00 10.00 H new ATOM 0 HA MET A 28 17.461 -1.023 -3.478 1.00 10.00 H new ATOM 0 HB2 MET A 28 14.999 0.728 -3.570 1.00 10.00 H new ATOM 0 HB3 MET A 28 16.397 1.307 -4.455 1.00 10.00 H new ATOM 0 HG2 MET A 28 16.552 -0.915 -5.636 1.00 10.00 H new ATOM 0 HG3 MET A 28 15.130 -1.463 -4.772 1.00 10.00 H new ATOM 0 HE1 MET A 28 15.215 0.453 -8.714 1.00 10.00 H new ATOM 0 HE2 MET A 28 16.618 0.535 -7.623 1.00 10.00 H new ATOM 0 HE3 MET A 28 15.871 -1.036 -7.995 1.00 10.00 H new ATOM 482 N PRO A 29 17.349 1.903 -1.955 1.00 10.00 N ATOM 483 CA PRO A 29 18.247 2.925 -1.356 1.00 10.00 C ATOM 484 C PRO A 29 18.617 2.542 0.088 1.00 10.00 C ATOM 485 O PRO A 29 18.390 3.293 1.019 1.00 10.00 O ATOM 486 CB PRO A 29 17.409 4.201 -1.387 1.00 10.00 C ATOM 487 CG PRO A 29 15.985 3.742 -1.385 1.00 10.00 C ATOM 488 CD PRO A 29 15.946 2.344 -1.952 1.00 10.00 C ATOM 0 HA PRO A 29 19.192 3.029 -1.889 1.00 10.00 H new ATOM 0 HB2 PRO A 29 17.620 4.831 -0.523 1.00 10.00 H new ATOM 0 HB3 PRO A 29 17.629 4.794 -2.275 1.00 10.00 H new ATOM 0 HG2 PRO A 29 15.582 3.754 -0.372 1.00 10.00 H new ATOM 0 HG3 PRO A 29 15.367 4.413 -1.982 1.00 10.00 H new ATOM 0 HD2 PRO A 29 15.326 1.687 -1.343 1.00 10.00 H new ATOM 0 HD3 PRO A 29 15.526 2.336 -2.958 1.00 10.00 H new ATOM 496 N GLN A 30 19.186 1.377 0.276 1.00 10.00 N ATOM 497 CA GLN A 30 19.572 0.935 1.649 1.00 10.00 C ATOM 498 C GLN A 30 20.700 -0.100 1.566 1.00 10.00 C ATOM 499 O GLN A 30 20.467 -1.265 1.302 1.00 10.00 O ATOM 500 CB GLN A 30 18.300 0.313 2.238 1.00 10.00 C ATOM 501 CG GLN A 30 18.579 -0.203 3.656 1.00 10.00 C ATOM 502 CD GLN A 30 19.019 0.960 4.549 1.00 10.00 C ATOM 503 OE1 GLN A 30 20.197 1.205 4.708 1.00 10.00 O ATOM 504 NE2 GLN A 30 18.115 1.692 5.140 1.00 10.00 N ATOM 0 H GLN A 30 19.400 0.711 -0.467 1.00 10.00 H new ATOM 0 HA GLN A 30 19.940 1.755 2.265 1.00 10.00 H new ATOM 0 HB2 GLN A 30 17.500 1.053 2.262 1.00 10.00 H new ATOM 0 HB3 GLN A 30 17.958 -0.505 1.605 1.00 10.00 H new ATOM 0 HG2 GLN A 30 17.684 -0.671 4.066 1.00 10.00 H new ATOM 0 HG3 GLN A 30 19.355 -0.968 3.629 1.00 10.00 H new ATOM 0 HE21 GLN A 30 17.125 1.486 5.006 1.00 10.00 H new ATOM 0 HE22 GLN A 30 18.398 2.470 5.736 1.00 10.00 H new ATOM 513 N LEU A 31 21.921 0.322 1.786 1.00 10.00 N ATOM 514 CA LEU A 31 23.071 -0.629 1.719 1.00 10.00 C ATOM 515 C LEU A 31 24.281 -0.051 2.466 1.00 10.00 C ATOM 516 O LEU A 31 24.647 1.080 2.187 1.00 10.00 O ATOM 517 CB LEU A 31 23.376 -0.781 0.223 1.00 10.00 C ATOM 518 CG LEU A 31 24.354 -1.940 0.011 1.00 10.00 C ATOM 519 CD1 LEU A 31 23.580 -3.259 -0.063 1.00 10.00 C ATOM 520 CD2 LEU A 31 25.119 -1.726 -1.298 1.00 10.00 C ATOM 521 OXT LEU A 31 24.819 -0.751 3.308 1.00 10.00 O ATOM 0 H LEU A 31 22.170 1.286 2.009 1.00 10.00 H new ATOM 0 HA LEU A 31 22.843 -1.588 2.184 1.00 10.00 H new ATOM 0 HB2 LEU A 31 22.454 -0.965 -0.329 1.00 10.00 H new ATOM 0 HB3 LEU A 31 23.802 0.143 -0.167 1.00 10.00 H new ATOM 0 HG LEU A 31 25.056 -1.978 0.844 1.00 10.00 H new ATOM 0 HD11 LEU A 31 24.278 -4.082 -0.214 1.00 10.00 H new ATOM 0 HD12 LEU A 31 23.033 -3.413 0.867 1.00 10.00 H new ATOM 0 HD13 LEU A 31 22.877 -3.222 -0.895 1.00 10.00 H new ATOM 0 HD21 LEU A 31 25.816 -2.550 -1.451 1.00 10.00 H new ATOM 0 HD22 LEU A 31 24.415 -1.687 -2.129 1.00 10.00 H new ATOM 0 HD23 LEU A 31 25.672 -0.788 -1.247 1.00 10.00 H new TER 533 LEU A 31