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+ -139:sc= 0.155 (180deg=0.0235) USER MOD Single : A 1 SER OG : rot 180:sc= 0.08 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 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -105:sc= 0.0241 (180deg=-0.125) USER MOD Single : A 28 MET CE :methyl 171:sc= 0 (180deg=-0.0679) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -22.036 12.135 -2.434 1.00 10.00 N ATOM 2 CA SER A 1 -22.103 11.203 -1.266 1.00 10.00 C ATOM 3 C SER A 1 -22.401 9.772 -1.739 1.00 10.00 C ATOM 4 O SER A 1 -22.696 9.542 -2.898 1.00 10.00 O ATOM 5 CB SER A 1 -23.246 11.731 -0.393 1.00 10.00 C ATOM 6 OG SER A 1 -24.415 11.892 -1.190 1.00 10.00 O ATOM 0 H1 SER A 1 -21.249 12.802 -2.301 1.00 10.00 H new ATOM 0 H2 SER A 1 -21.884 11.589 -3.306 1.00 10.00 H new ATOM 0 H3 SER A 1 -22.929 12.664 -2.508 1.00 10.00 H new ATOM 0 HA SER A 1 -21.161 11.165 -0.720 1.00 10.00 H new ATOM 0 HB2 SER A 1 -23.443 11.038 0.425 1.00 10.00 H new ATOM 0 HB3 SER A 1 -22.965 12.683 0.056 1.00 10.00 H new ATOM 0 HG SER A 1 -25.147 12.228 -0.632 1.00 10.00 H new ATOM 14 N GLY A 2 -22.327 8.813 -0.848 1.00 10.00 N ATOM 15 CA GLY A 2 -22.606 7.397 -1.238 1.00 10.00 C ATOM 16 C GLY A 2 -21.522 6.477 -0.664 1.00 10.00 C ATOM 17 O GLY A 2 -20.760 6.864 0.203 1.00 10.00 O ATOM 0 H GLY A 2 -22.085 8.951 0.133 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -23.586 7.095 -0.868 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -22.634 7.308 -2.324 1.00 10.00 H new ATOM 21 N SER A 3 -21.449 5.258 -1.142 1.00 10.00 N ATOM 22 CA SER A 3 -20.417 4.306 -0.627 1.00 10.00 C ATOM 23 C SER A 3 -19.099 4.489 -1.393 1.00 10.00 C ATOM 24 O SER A 3 -18.836 3.813 -2.370 1.00 10.00 O ATOM 25 CB SER A 3 -21.000 2.911 -0.866 1.00 10.00 C ATOM 26 OG SER A 3 -20.575 2.041 0.174 1.00 10.00 O ATOM 0 H SER A 3 -22.060 4.882 -1.867 1.00 10.00 H new ATOM 0 HA SER A 3 -20.193 4.470 0.427 1.00 10.00 H new ATOM 0 HB2 SER A 3 -22.089 2.959 -0.894 1.00 10.00 H new ATOM 0 HB3 SER A 3 -20.673 2.528 -1.833 1.00 10.00 H new ATOM 0 HG SER A 3 -20.948 1.147 0.025 1.00 10.00 H new ATOM 32 N TRP A 4 -18.273 5.405 -0.954 1.00 10.00 N ATOM 33 CA TRP A 4 -16.972 5.645 -1.649 1.00 10.00 C ATOM 34 C TRP A 4 -15.805 5.092 -0.820 1.00 10.00 C ATOM 35 O TRP A 4 -14.890 4.495 -1.352 1.00 10.00 O ATOM 36 CB TRP A 4 -16.868 7.167 -1.781 1.00 10.00 C ATOM 37 CG TRP A 4 -16.085 7.513 -3.008 1.00 10.00 C ATOM 38 CD1 TRP A 4 -16.271 6.964 -4.230 1.00 10.00 C ATOM 39 CD2 TRP A 4 -14.999 8.475 -3.153 1.00 10.00 C ATOM 40 NE1 TRP A 4 -15.369 7.522 -5.114 1.00 10.00 N ATOM 41 CE2 TRP A 4 -14.563 8.460 -4.499 1.00 10.00 C ATOM 42 CE3 TRP A 4 -14.356 9.348 -2.258 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -13.526 9.282 -4.941 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -13.312 10.178 -2.699 1.00 10.00 C ATOM 45 CH2 TRP A 4 -12.899 10.145 -4.039 1.00 10.00 C ATOM 0 H TRP A 4 -18.444 5.998 -0.142 1.00 10.00 H new ATOM 0 HA TRP A 4 -16.928 5.147 -2.617 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -17.864 7.606 -1.837 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -16.384 7.586 -0.899 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -17.006 6.211 -4.475 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -15.306 7.272 -6.101 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -14.667 9.381 -1.224 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -13.210 9.251 -5.973 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -12.825 10.845 -2.003 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -12.097 10.786 -4.373 1.00 10.00 H new ATOM 56 N LEU A 5 -15.831 5.292 0.478 1.00 10.00 N ATOM 57 CA LEU A 5 -14.721 4.785 1.349 1.00 10.00 C ATOM 58 C LEU A 5 -14.569 3.265 1.206 1.00 10.00 C ATOM 59 O LEU A 5 -13.469 2.762 1.081 1.00 10.00 O ATOM 60 CB LEU A 5 -15.128 5.154 2.779 1.00 10.00 C ATOM 61 CG LEU A 5 -13.926 4.992 3.715 1.00 10.00 C ATOM 62 CD1 LEU A 5 -12.909 6.105 3.449 1.00 10.00 C ATOM 63 CD2 LEU A 5 -14.400 5.074 5.169 1.00 10.00 C ATOM 0 H LEU A 5 -16.574 5.785 0.972 1.00 10.00 H new ATOM 0 HA LEU A 5 -13.760 5.221 1.074 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -15.490 6.182 2.811 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -15.948 4.517 3.110 1.00 10.00 H new ATOM 0 HG LEU A 5 -13.457 4.025 3.535 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -12.056 5.986 4.117 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -12.570 6.049 2.414 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -13.376 7.074 3.626 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -13.546 4.959 5.837 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -14.870 6.042 5.344 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -15.121 4.280 5.362 1.00 10.00 H new ATOM 75 N ARG A 6 -15.657 2.531 1.218 1.00 10.00 N ATOM 76 CA ARG A 6 -15.560 1.042 1.075 1.00 10.00 C ATOM 77 C ARG A 6 -14.887 0.685 -0.259 1.00 10.00 C ATOM 78 O ARG A 6 -14.187 -0.304 -0.361 1.00 10.00 O ATOM 79 CB ARG A 6 -17.004 0.530 1.105 1.00 10.00 C ATOM 80 CG ARG A 6 -17.002 -0.990 1.304 1.00 10.00 C ATOM 81 CD ARG A 6 -18.027 -1.374 2.378 1.00 10.00 C ATOM 82 NE ARG A 6 -17.579 -2.703 2.898 1.00 10.00 N ATOM 83 CZ ARG A 6 -17.469 -3.730 2.092 1.00 10.00 C ATOM 84 NH1 ARG A 6 -18.429 -4.007 1.247 1.00 10.00 N ATOM 85 NH2 ARG A 6 -16.398 -4.481 2.135 1.00 10.00 N ATOM 0 H ARG A 6 -16.604 2.896 1.320 1.00 10.00 H new ATOM 0 HA ARG A 6 -14.961 0.593 1.868 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -17.556 1.013 1.912 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -17.511 0.785 0.175 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -17.241 -1.489 0.365 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -16.008 -1.326 1.600 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -18.058 -0.631 3.175 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -19.031 -1.434 1.959 1.00 10.00 H new ATOM 0 HE ARG A 6 -17.357 -2.811 3.888 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -19.265 -3.423 1.215 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -18.342 -4.807 0.620 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -15.651 -4.266 2.795 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -16.311 -5.281 1.508 1.00 10.00 H new ATOM 99 N ASP A 7 -15.086 1.493 -1.272 1.00 10.00 N ATOM 100 CA ASP A 7 -14.449 1.218 -2.596 1.00 10.00 C ATOM 101 C ASP A 7 -12.952 1.552 -2.533 1.00 10.00 C ATOM 102 O ASP A 7 -12.129 0.864 -3.106 1.00 10.00 O ATOM 103 CB ASP A 7 -15.163 2.146 -3.583 1.00 10.00 C ATOM 104 CG ASP A 7 -15.094 1.553 -4.992 1.00 10.00 C ATOM 105 OD1 ASP A 7 -13.998 1.457 -5.522 1.00 10.00 O ATOM 106 OD2 ASP A 7 -16.139 1.206 -5.518 1.00 10.00 O ATOM 0 H ASP A 7 -15.664 2.333 -1.238 1.00 10.00 H new ATOM 0 HA ASP A 7 -14.535 0.172 -2.889 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -16.203 2.279 -3.285 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -14.699 3.132 -3.570 1.00 10.00 H new ATOM 111 N ILE A 8 -12.596 2.604 -1.834 1.00 10.00 N ATOM 112 CA ILE A 8 -11.153 2.988 -1.725 1.00 10.00 C ATOM 113 C ILE A 8 -10.430 2.085 -0.712 1.00 10.00 C ATOM 114 O ILE A 8 -9.248 1.832 -0.841 1.00 10.00 O ATOM 115 CB ILE A 8 -11.157 4.446 -1.242 1.00 10.00 C ATOM 116 CG1 ILE A 8 -11.915 5.326 -2.246 1.00 10.00 C ATOM 117 CG2 ILE A 8 -9.715 4.953 -1.120 1.00 10.00 C ATOM 118 CD1 ILE A 8 -12.464 6.563 -1.532 1.00 10.00 C ATOM 0 H ILE A 8 -13.243 3.213 -1.334 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.630 2.877 -2.675 1.00 10.00 H new ATOM 0 HB ILE A 8 -11.648 4.496 -0.270 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -11.250 5.626 -3.056 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -12.731 4.761 -2.696 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -9.721 5.988 -0.777 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -9.172 4.336 -0.404 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -9.226 4.896 -2.092 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -13.002 7.187 -2.246 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -13.143 6.253 -0.737 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -11.639 7.132 -1.103 1.00 10.00 H new ATOM 130 N TRP A 9 -11.129 1.603 0.295 1.00 10.00 N ATOM 131 CA TRP A 9 -10.481 0.720 1.320 1.00 10.00 C ATOM 132 C TRP A 9 -9.761 -0.460 0.649 1.00 10.00 C ATOM 133 O TRP A 9 -8.618 -0.744 0.956 1.00 10.00 O ATOM 134 CB TRP A 9 -11.625 0.220 2.210 1.00 10.00 C ATOM 135 CG TRP A 9 -11.083 -0.715 3.249 1.00 10.00 C ATOM 136 CD1 TRP A 9 -11.611 -1.922 3.558 1.00 10.00 C ATOM 137 CD2 TRP A 9 -9.919 -0.545 4.113 1.00 10.00 C ATOM 138 NE1 TRP A 9 -10.847 -2.503 4.555 1.00 10.00 N ATOM 139 CE2 TRP A 9 -9.794 -1.694 4.930 1.00 10.00 C ATOM 140 CE3 TRP A 9 -8.970 0.482 4.266 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -8.765 -1.818 5.865 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -7.933 0.360 5.206 1.00 10.00 C ATOM 143 CH2 TRP A 9 -7.832 -0.788 6.003 1.00 10.00 C ATOM 0 H TRP A 9 -12.121 1.785 0.449 1.00 10.00 H new ATOM 0 HA TRP A 9 -9.726 1.258 1.894 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.122 1.064 2.689 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.375 -0.289 1.604 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -12.486 -2.360 3.101 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -11.039 -3.418 4.963 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -9.039 1.371 3.656 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -8.691 -2.704 6.478 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -7.210 1.155 5.315 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -7.033 -0.876 6.724 1.00 10.00 H new ATOM 154 N ASP A 10 -10.414 -1.140 -0.264 1.00 10.00 N ATOM 155 CA ASP A 10 -9.751 -2.292 -0.954 1.00 10.00 C ATOM 156 C ASP A 10 -8.481 -1.805 -1.661 1.00 10.00 C ATOM 157 O ASP A 10 -7.448 -2.450 -1.613 1.00 10.00 O ATOM 158 CB ASP A 10 -10.776 -2.810 -1.966 1.00 10.00 C ATOM 159 CG ASP A 10 -10.256 -4.099 -2.609 1.00 10.00 C ATOM 160 OD1 ASP A 10 -10.328 -5.133 -1.964 1.00 10.00 O ATOM 161 OD2 ASP A 10 -9.797 -4.029 -3.738 1.00 10.00 O ATOM 0 H ASP A 10 -11.371 -0.949 -0.560 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.453 -3.078 -0.260 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.729 -2.997 -1.471 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.958 -2.057 -2.733 1.00 10.00 H new ATOM 166 N TRP A 11 -8.545 -0.660 -2.300 1.00 10.00 N ATOM 167 CA TRP A 11 -7.338 -0.115 -2.992 1.00 10.00 C ATOM 168 C TRP A 11 -6.272 0.263 -1.953 1.00 10.00 C ATOM 169 O TRP A 11 -5.093 0.049 -2.161 1.00 10.00 O ATOM 170 CB TRP A 11 -7.827 1.126 -3.746 1.00 10.00 C ATOM 171 CG TRP A 11 -6.696 1.710 -4.530 1.00 10.00 C ATOM 172 CD1 TRP A 11 -6.275 1.266 -5.736 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.835 2.833 -4.183 1.00 10.00 C ATOM 174 NE1 TRP A 11 -5.211 2.044 -6.151 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.902 3.024 -5.229 1.00 10.00 C ATOM 176 CE3 TRP A 11 -5.774 3.694 -3.073 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -3.942 4.036 -5.175 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -4.809 4.712 -3.016 1.00 10.00 C ATOM 179 CH2 TRP A 11 -3.895 4.882 -4.066 1.00 10.00 C ATOM 0 H TRP A 11 -9.382 -0.081 -2.371 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.885 -0.839 -3.670 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.647 0.860 -4.413 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.215 1.863 -3.043 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -6.701 0.439 -6.285 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -4.714 1.910 -7.032 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.474 3.571 -2.259 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -3.240 4.163 -5.986 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -4.770 5.368 -2.159 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -3.155 5.667 -4.016 1.00 10.00 H new ATOM 190 N ILE A 12 -6.681 0.808 -0.829 1.00 10.00 N ATOM 191 CA ILE A 12 -5.693 1.180 0.233 1.00 10.00 C ATOM 192 C ILE A 12 -4.920 -0.074 0.673 1.00 10.00 C ATOM 193 O ILE A 12 -3.737 -0.019 0.951 1.00 10.00 O ATOM 194 CB ILE A 12 -6.531 1.744 1.392 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.034 3.146 1.026 1.00 10.00 C ATOM 196 CG2 ILE A 12 -5.676 1.832 2.663 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.186 3.539 1.955 1.00 10.00 C ATOM 0 H ILE A 12 -7.655 1.010 -0.603 1.00 10.00 H new ATOM 0 HA ILE A 12 -4.960 1.908 -0.113 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.378 1.082 1.572 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.222 3.868 1.112 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.368 3.164 -0.011 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -6.277 2.233 3.479 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -5.318 0.838 2.930 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -4.824 2.488 2.484 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.541 4.536 1.693 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.001 2.823 1.847 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -7.837 3.538 2.988 1.00 10.00 H new ATOM 209 N CYS A 13 -5.586 -1.205 0.718 1.00 10.00 N ATOM 210 CA CYS A 13 -4.902 -2.472 1.118 1.00 10.00 C ATOM 211 C CYS A 13 -3.955 -2.934 -0.001 1.00 10.00 C ATOM 212 O CYS A 13 -2.874 -3.427 0.260 1.00 10.00 O ATOM 213 CB CYS A 13 -6.033 -3.484 1.328 1.00 10.00 C ATOM 214 SG CYS A 13 -5.353 -5.022 1.998 1.00 10.00 S ATOM 0 H CYS A 13 -6.576 -1.303 0.494 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.296 -2.354 2.016 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.778 -3.076 2.011 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.540 -3.680 0.383 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.314 -5.879 2.178 1.00 10.00 H new ATOM 220 N GLU A 14 -4.349 -2.765 -1.244 1.00 10.00 N ATOM 221 CA GLU A 14 -3.465 -3.182 -2.379 1.00 10.00 C ATOM 222 C GLU A 14 -2.181 -2.345 -2.374 1.00 10.00 C ATOM 223 O GLU A 14 -1.100 -2.846 -2.628 1.00 10.00 O ATOM 224 CB GLU A 14 -4.281 -2.915 -3.649 1.00 10.00 C ATOM 225 CG GLU A 14 -4.560 -4.237 -4.373 1.00 10.00 C ATOM 226 CD GLU A 14 -3.460 -4.506 -5.405 1.00 10.00 C ATOM 227 OE1 GLU A 14 -2.478 -5.133 -5.045 1.00 10.00 O ATOM 228 OE2 GLU A 14 -3.620 -4.083 -6.538 1.00 10.00 O ATOM 0 H GLU A 14 -5.243 -2.357 -1.519 1.00 10.00 H new ATOM 0 HA GLU A 14 -3.167 -4.228 -2.308 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -5.220 -2.425 -3.393 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.737 -2.237 -4.307 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -4.604 -5.054 -3.653 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -5.531 -4.194 -4.866 1.00 10.00 H new ATOM 235 N VAL A 15 -2.295 -1.079 -2.069 1.00 10.00 N ATOM 236 CA VAL A 15 -1.088 -0.194 -2.024 1.00 10.00 C ATOM 237 C VAL A 15 -0.216 -0.560 -0.812 1.00 10.00 C ATOM 238 O VAL A 15 0.996 -0.470 -0.864 1.00 10.00 O ATOM 239 CB VAL A 15 -1.632 1.235 -1.890 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.468 2.220 -1.735 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.435 1.599 -3.144 1.00 10.00 C ATOM 0 H VAL A 15 -3.176 -0.615 -1.848 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.465 -0.301 -2.912 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.276 1.291 -1.012 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -0.859 3.233 -1.640 1.00 10.00 H new ATOM 0 HG12 VAL A 15 0.106 1.968 -0.843 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.178 2.161 -2.611 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.821 2.614 -3.047 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.789 1.538 -4.020 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.267 0.904 -3.258 1.00 10.00 H new ATOM 251 N LEU A 16 -0.830 -0.981 0.273 1.00 10.00 N ATOM 252 CA LEU A 16 -0.049 -1.367 1.492 1.00 10.00 C ATOM 253 C LEU A 16 0.949 -2.483 1.148 1.00 10.00 C ATOM 254 O LEU A 16 2.062 -2.496 1.636 1.00 10.00 O ATOM 255 CB LEU A 16 -1.093 -1.865 2.499 1.00 10.00 C ATOM 256 CG LEU A 16 -0.421 -2.134 3.851 1.00 10.00 C ATOM 257 CD1 LEU A 16 -0.979 -1.174 4.905 1.00 10.00 C ATOM 258 CD2 LEU A 16 -0.698 -3.578 4.280 1.00 10.00 C ATOM 0 H LEU A 16 -1.842 -1.073 0.365 1.00 10.00 H new ATOM 0 HA LEU A 16 0.530 -0.535 1.892 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -1.882 -1.123 2.616 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.564 -2.776 2.129 1.00 10.00 H new ATOM 0 HG LEU A 16 0.654 -1.981 3.756 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -0.499 -1.368 5.864 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -0.781 -0.146 4.602 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.054 -1.324 5.000 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -0.221 -3.770 5.241 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -1.773 -3.730 4.372 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -0.297 -4.263 3.533 1.00 10.00 H new ATOM 270 N SER A 17 0.558 -3.408 0.300 1.00 10.00 N ATOM 271 CA SER A 17 1.487 -4.514 -0.091 1.00 10.00 C ATOM 272 C SER A 17 2.726 -3.924 -0.773 1.00 10.00 C ATOM 273 O SER A 17 3.847 -4.283 -0.460 1.00 10.00 O ATOM 274 CB SER A 17 0.697 -5.383 -1.072 1.00 10.00 C ATOM 275 OG SER A 17 -0.443 -5.917 -0.412 1.00 10.00 O ATOM 0 H SER A 17 -0.363 -3.443 -0.136 1.00 10.00 H new ATOM 0 HA SER A 17 1.829 -5.093 0.767 1.00 10.00 H new ATOM 0 HB2 SER A 17 0.389 -4.791 -1.934 1.00 10.00 H new ATOM 0 HB3 SER A 17 1.325 -6.190 -1.448 1.00 10.00 H new ATOM 0 HG SER A 17 -0.953 -6.473 -1.038 1.00 10.00 H new ATOM 281 N ASP A 18 2.528 -3.005 -1.687 1.00 10.00 N ATOM 282 CA ASP A 18 3.689 -2.368 -2.376 1.00 10.00 C ATOM 283 C ASP A 18 4.441 -1.481 -1.382 1.00 10.00 C ATOM 284 O ASP A 18 5.651 -1.492 -1.337 1.00 10.00 O ATOM 285 CB ASP A 18 3.087 -1.521 -3.504 1.00 10.00 C ATOM 286 CG ASP A 18 4.181 -0.648 -4.131 1.00 10.00 C ATOM 287 OD1 ASP A 18 4.388 0.454 -3.645 1.00 10.00 O ATOM 288 OD2 ASP A 18 4.796 -1.097 -5.084 1.00 10.00 O ATOM 0 H ASP A 18 1.612 -2.670 -1.984 1.00 10.00 H new ATOM 0 HA ASP A 18 4.395 -3.101 -2.767 1.00 10.00 H new ATOM 0 HB2 ASP A 18 2.645 -2.168 -4.262 1.00 10.00 H new ATOM 0 HB3 ASP A 18 2.286 -0.893 -3.114 1.00 10.00 H new ATOM 293 N PHE A 19 3.725 -0.725 -0.581 1.00 10.00 N ATOM 294 CA PHE A 19 4.390 0.159 0.426 1.00 10.00 C ATOM 295 C PHE A 19 5.383 -0.655 1.262 1.00 10.00 C ATOM 296 O PHE A 19 6.472 -0.201 1.558 1.00 10.00 O ATOM 297 CB PHE A 19 3.257 0.693 1.308 1.00 10.00 C ATOM 298 CG PHE A 19 3.332 2.201 1.371 1.00 10.00 C ATOM 299 CD1 PHE A 19 3.192 2.960 0.201 1.00 10.00 C ATOM 300 CD2 PHE A 19 3.541 2.841 2.598 1.00 10.00 C ATOM 301 CE1 PHE A 19 3.262 4.356 0.261 1.00 10.00 C ATOM 302 CE2 PHE A 19 3.612 4.238 2.657 1.00 10.00 C ATOM 303 CZ PHE A 19 3.472 4.996 1.488 1.00 10.00 C ATOM 0 H PHE A 19 2.706 -0.684 -0.583 1.00 10.00 H new ATOM 0 HA PHE A 19 4.950 0.968 -0.043 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.292 0.383 0.906 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.334 0.273 2.311 1.00 10.00 H new ATOM 0 HD1 PHE A 19 3.030 2.467 -0.746 1.00 10.00 H new ATOM 0 HD2 PHE A 19 3.648 2.257 3.500 1.00 10.00 H new ATOM 0 HE1 PHE A 19 3.154 4.941 -0.641 1.00 10.00 H new ATOM 0 HE2 PHE A 19 3.775 4.731 3.604 1.00 10.00 H new ATOM 0 HZ PHE A 19 3.526 6.074 1.533 1.00 10.00 H new ATOM 313 N LYS A 20 5.016 -1.862 1.630 1.00 10.00 N ATOM 314 CA LYS A 20 5.940 -2.722 2.432 1.00 10.00 C ATOM 315 C LYS A 20 7.261 -2.917 1.672 1.00 10.00 C ATOM 316 O LYS A 20 8.333 -2.823 2.241 1.00 10.00 O ATOM 317 CB LYS A 20 5.206 -4.056 2.598 1.00 10.00 C ATOM 318 CG LYS A 20 5.956 -4.929 3.608 1.00 10.00 C ATOM 319 CD LYS A 20 5.219 -6.259 3.785 1.00 10.00 C ATOM 320 CE LYS A 20 5.819 -7.018 4.972 1.00 10.00 C ATOM 321 NZ LYS A 20 5.386 -8.434 4.794 1.00 10.00 N ATOM 0 H LYS A 20 4.115 -2.286 1.408 1.00 10.00 H new ATOM 0 HA LYS A 20 6.188 -2.280 3.397 1.00 10.00 H new ATOM 0 HB2 LYS A 20 4.185 -3.882 2.939 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.138 -4.568 1.638 1.00 10.00 H new ATOM 0 HG2 LYS A 20 6.974 -5.109 3.263 1.00 10.00 H new ATOM 0 HG3 LYS A 20 6.031 -4.413 4.565 1.00 10.00 H new ATOM 0 HD2 LYS A 20 4.157 -6.080 3.953 1.00 10.00 H new ATOM 0 HD3 LYS A 20 5.302 -6.857 2.877 1.00 10.00 H new ATOM 0 HE2 LYS A 20 6.906 -6.937 4.981 1.00 10.00 H new ATOM 0 HE3 LYS A 20 5.461 -6.613 5.919 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 5.761 -9.012 5.573 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 4.347 -8.482 4.797 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 5.747 -8.796 3.888 1.00 10.00 H new ATOM 335 N THR A 21 7.187 -3.169 0.385 1.00 10.00 N ATOM 336 CA THR A 21 8.435 -3.350 -0.421 1.00 10.00 C ATOM 337 C THR A 21 9.028 -1.979 -0.762 1.00 10.00 C ATOM 338 O THR A 21 10.230 -1.798 -0.755 1.00 10.00 O ATOM 339 CB THR A 21 8.003 -4.086 -1.697 1.00 10.00 C ATOM 340 OG1 THR A 21 7.042 -5.083 -1.376 1.00 10.00 O ATOM 341 CG2 THR A 21 9.221 -4.745 -2.348 1.00 10.00 C ATOM 0 H THR A 21 6.317 -3.257 -0.140 1.00 10.00 H new ATOM 0 HA THR A 21 9.198 -3.912 0.119 1.00 10.00 H new ATOM 0 HB THR A 21 7.562 -3.370 -2.390 1.00 10.00 H new ATOM 0 HG1 THR A 21 6.768 -5.549 -2.194 1.00 10.00 H new ATOM 0 HG21 THR A 21 8.912 -5.267 -3.254 1.00 10.00 H new ATOM 0 HG22 THR A 21 9.956 -3.981 -2.602 1.00 10.00 H new ATOM 0 HG23 THR A 21 9.665 -5.457 -1.652 1.00 10.00 H new ATOM 349 N TRP A 22 8.187 -1.010 -1.047 1.00 10.00 N ATOM 350 CA TRP A 22 8.685 0.362 -1.373 1.00 10.00 C ATOM 351 C TRP A 22 9.555 0.877 -0.224 1.00 10.00 C ATOM 352 O TRP A 22 10.666 1.330 -0.428 1.00 10.00 O ATOM 353 CB TRP A 22 7.423 1.220 -1.509 1.00 10.00 C ATOM 354 CG TRP A 22 7.726 2.435 -2.327 1.00 10.00 C ATOM 355 CD1 TRP A 22 7.692 2.491 -3.678 1.00 10.00 C ATOM 356 CD2 TRP A 22 8.103 3.765 -1.870 1.00 10.00 C ATOM 357 NE1 TRP A 22 8.028 3.772 -4.079 1.00 10.00 N ATOM 358 CE2 TRP A 22 8.290 4.594 -3.001 1.00 10.00 C ATOM 359 CE3 TRP A 22 8.301 4.327 -0.596 1.00 10.00 C ATOM 360 CZ2 TRP A 22 8.660 5.933 -2.873 1.00 10.00 C ATOM 361 CZ3 TRP A 22 8.673 5.674 -0.463 1.00 10.00 C ATOM 362 CH2 TRP A 22 8.852 6.476 -1.600 1.00 10.00 C ATOM 0 H TRP A 22 7.173 -1.114 -1.067 1.00 10.00 H new ATOM 0 HA TRP A 22 9.291 0.383 -2.279 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.627 0.642 -1.979 1.00 10.00 H new ATOM 0 HB3 TRP A 22 7.063 1.514 -0.523 1.00 10.00 H new ATOM 0 HD1 TRP A 22 7.444 1.671 -4.335 1.00 10.00 H new ATOM 0 HE1 TRP A 22 8.076 4.072 -5.053 1.00 10.00 H new ATOM 0 HE3 TRP A 22 8.166 3.718 0.286 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 8.797 6.546 -3.752 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 8.822 6.095 0.520 1.00 10.00 H new ATOM 0 HH2 TRP A 22 9.138 7.512 -1.491 1.00 10.00 H new ATOM 373 N LEU A 23 9.052 0.798 0.983 1.00 10.00 N ATOM 374 CA LEU A 23 9.838 1.267 2.167 1.00 10.00 C ATOM 375 C LEU A 23 11.097 0.405 2.350 1.00 10.00 C ATOM 376 O LEU A 23 12.133 0.896 2.754 1.00 10.00 O ATOM 377 CB LEU A 23 8.898 1.110 3.369 1.00 10.00 C ATOM 378 CG LEU A 23 7.928 2.296 3.427 1.00 10.00 C ATOM 379 CD1 LEU A 23 6.722 1.931 4.298 1.00 10.00 C ATOM 380 CD2 LEU A 23 8.638 3.512 4.029 1.00 10.00 C ATOM 0 H LEU A 23 8.127 0.427 1.200 1.00 10.00 H new ATOM 0 HA LEU A 23 10.174 2.297 2.049 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.341 0.176 3.288 1.00 10.00 H new ATOM 0 HB3 LEU A 23 9.477 1.056 4.291 1.00 10.00 H new ATOM 0 HG LEU A 23 7.591 2.534 2.418 1.00 10.00 H new ATOM 0 HD11 LEU A 23 6.033 2.775 4.338 1.00 10.00 H new ATOM 0 HD12 LEU A 23 6.213 1.067 3.871 1.00 10.00 H new ATOM 0 HD13 LEU A 23 7.061 1.691 5.306 1.00 10.00 H new ATOM 0 HD21 LEU A 23 7.947 4.354 4.069 1.00 10.00 H new ATOM 0 HD22 LEU A 23 8.978 3.273 5.037 1.00 10.00 H new ATOM 0 HD23 LEU A 23 9.496 3.776 3.410 1.00 10.00 H new ATOM 392 N LYS A 24 11.020 -0.872 2.044 1.00 10.00 N ATOM 393 CA LYS A 24 12.219 -1.759 2.189 1.00 10.00 C ATOM 394 C LYS A 24 13.300 -1.355 1.177 1.00 10.00 C ATOM 395 O LYS A 24 14.483 -1.435 1.455 1.00 10.00 O ATOM 396 CB LYS A 24 11.713 -3.175 1.901 1.00 10.00 C ATOM 397 CG LYS A 24 12.742 -4.199 2.393 1.00 10.00 C ATOM 398 CD LYS A 24 13.219 -5.058 1.218 1.00 10.00 C ATOM 399 CE LYS A 24 14.748 -5.016 1.139 1.00 10.00 C ATOM 400 NZ LYS A 24 15.110 -5.957 0.040 1.00 10.00 N ATOM 0 H LYS A 24 10.179 -1.336 1.701 1.00 10.00 H new ATOM 0 HA LYS A 24 12.667 -1.686 3.180 1.00 10.00 H new ATOM 0 HB2 LYS A 24 10.757 -3.338 2.398 1.00 10.00 H new ATOM 0 HB3 LYS A 24 11.543 -3.301 0.832 1.00 10.00 H new ATOM 0 HG2 LYS A 24 13.589 -3.687 2.849 1.00 10.00 H new ATOM 0 HG3 LYS A 24 12.300 -4.832 3.163 1.00 10.00 H new ATOM 0 HD2 LYS A 24 12.879 -6.086 1.344 1.00 10.00 H new ATOM 0 HD3 LYS A 24 12.786 -4.691 0.287 1.00 10.00 H new ATOM 0 HE2 LYS A 24 15.104 -4.008 0.927 1.00 10.00 H new ATOM 0 HE3 LYS A 24 15.199 -5.321 2.083 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 16.144 -5.980 -0.071 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 14.766 -6.911 0.272 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 14.673 -5.638 -0.848 1.00 10.00 H new ATOM 414 N ALA A 25 12.901 -0.912 0.008 1.00 10.00 N ATOM 415 CA ALA A 25 13.901 -0.488 -1.020 1.00 10.00 C ATOM 416 C ALA A 25 14.555 0.838 -0.602 1.00 10.00 C ATOM 417 O ALA A 25 15.717 1.078 -0.869 1.00 10.00 O ATOM 418 CB ALA A 25 13.096 -0.305 -2.310 1.00 10.00 C ATOM 0 H ALA A 25 11.925 -0.826 -0.277 1.00 10.00 H new ATOM 0 HA ALA A 25 14.702 -1.217 -1.142 1.00 10.00 H new ATOM 0 HB1 ALA A 25 13.763 0.007 -3.114 1.00 10.00 H new ATOM 0 HB2 ALA A 25 12.620 -1.248 -2.579 1.00 10.00 H new ATOM 0 HB3 ALA A 25 12.331 0.456 -2.157 1.00 10.00 H new ATOM 424 N LYS A 26 13.811 1.698 0.056 1.00 10.00 N ATOM 425 CA LYS A 26 14.372 3.010 0.498 1.00 10.00 C ATOM 426 C LYS A 26 15.158 2.845 1.808 1.00 10.00 C ATOM 427 O LYS A 26 16.284 3.290 1.923 1.00 10.00 O ATOM 428 CB LYS A 26 13.147 3.903 0.715 1.00 10.00 C ATOM 429 CG LYS A 26 13.586 5.366 0.832 1.00 10.00 C ATOM 430 CD LYS A 26 13.081 5.954 2.156 1.00 10.00 C ATOM 431 CE LYS A 26 11.553 6.108 2.111 1.00 10.00 C ATOM 432 NZ LYS A 26 11.304 7.370 1.353 1.00 10.00 N ATOM 0 H LYS A 26 12.834 1.543 0.306 1.00 10.00 H new ATOM 0 HA LYS A 26 15.065 3.430 -0.231 1.00 10.00 H new ATOM 0 HB2 LYS A 26 12.450 3.788 -0.115 1.00 10.00 H new ATOM 0 HB3 LYS A 26 12.619 3.599 1.619 1.00 10.00 H new ATOM 0 HG2 LYS A 26 14.673 5.434 0.784 1.00 10.00 H new ATOM 0 HG3 LYS A 26 13.193 5.942 -0.006 1.00 10.00 H new ATOM 0 HD2 LYS A 26 13.366 5.305 2.984 1.00 10.00 H new ATOM 0 HD3 LYS A 26 13.548 6.923 2.335 1.00 10.00 H new ATOM 0 HE2 LYS A 26 11.087 5.255 1.618 1.00 10.00 H new ATOM 0 HE3 LYS A 26 11.134 6.164 3.116 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 11.022 8.122 2.014 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 12.173 7.654 0.856 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 10.544 7.215 0.660 1.00 10.00 H new ATOM 446 N LEU A 27 14.566 2.213 2.794 1.00 10.00 N ATOM 447 CA LEU A 27 15.269 2.021 4.100 1.00 10.00 C ATOM 448 C LEU A 27 15.929 0.638 4.149 1.00 10.00 C ATOM 449 O LEU A 27 15.341 -0.352 3.759 1.00 10.00 O ATOM 450 CB LEU A 27 14.173 2.133 5.163 1.00 10.00 C ATOM 451 CG LEU A 27 14.759 2.738 6.443 1.00 10.00 C ATOM 452 CD1 LEU A 27 14.533 4.252 6.447 1.00 10.00 C ATOM 453 CD2 LEU A 27 14.069 2.118 7.662 1.00 10.00 C ATOM 0 H LEU A 27 13.625 1.822 2.749 1.00 10.00 H new ATOM 0 HA LEU A 27 16.060 2.755 4.254 1.00 10.00 H new ATOM 0 HB2 LEU A 27 13.357 2.755 4.795 1.00 10.00 H new ATOM 0 HB3 LEU A 27 13.754 1.149 5.373 1.00 10.00 H new ATOM 0 HG LEU A 27 15.828 2.531 6.483 1.00 10.00 H new ATOM 0 HD11 LEU A 27 14.951 4.680 7.358 1.00 10.00 H new ATOM 0 HD12 LEU A 27 15.023 4.695 5.580 1.00 10.00 H new ATOM 0 HD13 LEU A 27 13.464 4.460 6.405 1.00 10.00 H new ATOM 0 HD21 LEU A 27 14.485 2.548 8.573 1.00 10.00 H new ATOM 0 HD22 LEU A 27 13.000 2.324 7.619 1.00 10.00 H new ATOM 0 HD23 LEU A 27 14.231 1.040 7.662 1.00 10.00 H new ATOM 465 N MET A 28 17.146 0.569 4.633 1.00 10.00 N ATOM 466 CA MET A 28 17.856 -0.748 4.715 1.00 10.00 C ATOM 467 C MET A 28 19.131 -0.641 5.580 1.00 10.00 C ATOM 468 O MET A 28 19.258 -1.359 6.553 1.00 10.00 O ATOM 469 CB MET A 28 18.194 -1.121 3.263 1.00 10.00 C ATOM 470 CG MET A 28 19.117 -2.343 3.239 1.00 10.00 C ATOM 471 SD MET A 28 19.099 -3.081 1.586 1.00 10.00 S ATOM 472 CE MET A 28 18.157 -4.567 2.010 1.00 10.00 C ATOM 0 H MET A 28 17.679 1.368 4.975 1.00 10.00 H new ATOM 0 HA MET A 28 17.238 -1.510 5.190 1.00 10.00 H new ATOM 0 HB2 MET A 28 17.279 -1.335 2.711 1.00 10.00 H new ATOM 0 HB3 MET A 28 18.677 -0.280 2.765 1.00 10.00 H new ATOM 0 HG2 MET A 28 20.132 -2.051 3.507 1.00 10.00 H new ATOM 0 HG3 MET A 28 18.790 -3.074 3.979 1.00 10.00 H new ATOM 0 HE1 MET A 28 17.888 -5.100 1.098 1.00 10.00 H new ATOM 0 HE2 MET A 28 18.764 -5.215 2.642 1.00 10.00 H new ATOM 0 HE3 MET A 28 17.251 -4.283 2.545 1.00 10.00 H new ATOM 482 N PRO A 29 20.046 0.240 5.206 1.00 10.00 N ATOM 483 CA PRO A 29 21.309 0.401 5.984 1.00 10.00 C ATOM 484 C PRO A 29 21.046 1.061 7.349 1.00 10.00 C ATOM 485 O PRO A 29 19.917 1.186 7.786 1.00 10.00 O ATOM 486 CB PRO A 29 22.165 1.304 5.098 1.00 10.00 C ATOM 487 CG PRO A 29 21.189 2.057 4.256 1.00 10.00 C ATOM 488 CD PRO A 29 20.005 1.152 4.048 1.00 10.00 C ATOM 0 HA PRO A 29 21.787 -0.553 6.208 1.00 10.00 H new ATOM 0 HB2 PRO A 29 22.775 1.981 5.697 1.00 10.00 H new ATOM 0 HB3 PRO A 29 22.849 0.719 4.482 1.00 10.00 H new ATOM 0 HG2 PRO A 29 20.887 2.982 4.748 1.00 10.00 H new ATOM 0 HG3 PRO A 29 21.636 2.335 3.301 1.00 10.00 H new ATOM 0 HD2 PRO A 29 19.072 1.715 4.016 1.00 10.00 H new ATOM 0 HD3 PRO A 29 20.080 0.606 3.107 1.00 10.00 H new ATOM 496 N GLN A 30 22.089 1.484 8.024 1.00 10.00 N ATOM 497 CA GLN A 30 21.915 2.136 9.362 1.00 10.00 C ATOM 498 C GLN A 30 21.221 3.498 9.212 1.00 10.00 C ATOM 499 O GLN A 30 21.332 4.155 8.193 1.00 10.00 O ATOM 500 CB GLN A 30 23.334 2.312 9.911 1.00 10.00 C ATOM 501 CG GLN A 30 23.299 2.317 11.443 1.00 10.00 C ATOM 502 CD GLN A 30 23.339 0.877 11.964 1.00 10.00 C ATOM 503 OE1 GLN A 30 22.318 0.224 12.054 1.00 10.00 O ATOM 504 NE2 GLN A 30 24.481 0.351 12.313 1.00 10.00 N ATOM 0 H GLN A 30 23.055 1.406 7.706 1.00 10.00 H new ATOM 0 HA GLN A 30 21.292 1.539 10.028 1.00 10.00 H new ATOM 0 HB2 GLN A 30 23.975 1.505 9.555 1.00 10.00 H new ATOM 0 HB3 GLN A 30 23.763 3.245 9.545 1.00 10.00 H new ATOM 0 HG2 GLN A 30 24.147 2.879 11.834 1.00 10.00 H new ATOM 0 HG3 GLN A 30 22.396 2.816 11.794 1.00 10.00 H new ATOM 0 HE21 GLN A 30 25.339 0.898 12.238 1.00 10.00 H new ATOM 0 HE22 GLN A 30 24.516 -0.607 12.661 1.00 10.00 H new ATOM 513 N LEU A 31 20.507 3.923 10.227 1.00 10.00 N ATOM 514 CA LEU A 31 19.802 5.239 10.157 1.00 10.00 C ATOM 515 C LEU A 31 20.462 6.248 11.106 1.00 10.00 C ATOM 516 O LEU A 31 20.646 5.915 12.268 1.00 10.00 O ATOM 517 CB LEU A 31 18.364 4.946 10.599 1.00 10.00 C ATOM 518 CG LEU A 31 17.462 4.813 9.369 1.00 10.00 C ATOM 519 CD1 LEU A 31 17.690 3.453 8.707 1.00 10.00 C ATOM 520 CD2 LEU A 31 15.998 4.930 9.799 1.00 10.00 C ATOM 521 OXT LEU A 31 20.773 7.337 10.655 1.00 10.00 O ATOM 0 H LEU A 31 20.383 3.413 11.102 1.00 10.00 H new ATOM 0 HA LEU A 31 19.840 5.673 9.158 1.00 10.00 H new ATOM 0 HB2 LEU A 31 18.334 4.027 11.185 1.00 10.00 H new ATOM 0 HB3 LEU A 31 18.001 5.747 11.243 1.00 10.00 H new ATOM 0 HG LEU A 31 17.700 5.604 8.658 1.00 10.00 H new ATOM 0 HD11 LEU A 31 17.046 3.362 7.832 1.00 10.00 H new ATOM 0 HD12 LEU A 31 18.733 3.367 8.401 1.00 10.00 H new ATOM 0 HD13 LEU A 31 17.454 2.659 9.416 1.00 10.00 H new ATOM 0 HD21 LEU A 31 15.353 4.836 8.925 1.00 10.00 H new ATOM 0 HD22 LEU A 31 15.763 4.138 10.510 1.00 10.00 H new ATOM 0 HD23 LEU A 31 15.833 5.900 10.268 1.00 10.00 H new TER 533 LEU A 31