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 -55:sc= -0.29 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= 0.0244 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 156:sc= 0.14 (180deg=0.0251) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -21.318 -2.146 -9.234 1.00 10.00 N ATOM 2 CA SER A 1 -22.108 -0.886 -9.387 1.00 10.00 C ATOM 3 C SER A 1 -21.791 0.085 -8.240 1.00 10.00 C ATOM 4 O SER A 1 -21.291 1.171 -8.463 1.00 10.00 O ATOM 5 CB SER A 1 -23.577 -1.320 -9.342 1.00 10.00 C ATOM 6 OG SER A 1 -24.398 -0.245 -9.775 1.00 10.00 O ATOM 0 H1 SER A 1 -21.542 -2.793 -10.016 1.00 10.00 H new ATOM 0 H2 SER A 1 -20.302 -1.923 -9.249 1.00 10.00 H new ATOM 0 H3 SER A 1 -21.559 -2.599 -8.330 1.00 10.00 H new ATOM 0 HA SER A 1 -21.872 -0.365 -10.315 1.00 10.00 H new ATOM 0 HB2 SER A 1 -23.731 -2.190 -9.980 1.00 10.00 H new ATOM 0 HB3 SER A 1 -23.850 -1.616 -8.329 1.00 10.00 H new ATOM 0 HG SER A 1 -25.338 -0.520 -9.749 1.00 10.00 H new ATOM 14 N GLY A 2 -22.074 -0.299 -7.018 1.00 10.00 N ATOM 15 CA GLY A 2 -21.785 0.599 -5.860 1.00 10.00 C ATOM 16 C GLY A 2 -20.418 0.247 -5.270 1.00 10.00 C ATOM 17 O GLY A 2 -19.393 0.659 -5.779 1.00 10.00 O ATOM 0 H GLY A 2 -22.493 -1.197 -6.775 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -21.797 1.640 -6.182 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -22.559 0.491 -5.101 1.00 10.00 H new ATOM 21 N SER A 3 -20.401 -0.519 -4.200 1.00 10.00 N ATOM 22 CA SER A 3 -19.107 -0.920 -3.554 1.00 10.00 C ATOM 23 C SER A 3 -18.199 0.303 -3.336 1.00 10.00 C ATOM 24 O SER A 3 -16.997 0.233 -3.515 1.00 10.00 O ATOM 25 CB SER A 3 -18.476 -1.911 -4.538 1.00 10.00 C ATOM 26 OG SER A 3 -17.219 -2.353 -4.037 1.00 10.00 O ATOM 0 H SER A 3 -21.236 -0.886 -3.744 1.00 10.00 H new ATOM 0 HA SER A 3 -19.255 -1.360 -2.568 1.00 10.00 H new ATOM 0 HB2 SER A 3 -19.139 -2.763 -4.686 1.00 10.00 H new ATOM 0 HB3 SER A 3 -18.344 -1.438 -5.511 1.00 10.00 H new ATOM 0 HG SER A 3 -16.651 -1.577 -3.849 1.00 10.00 H new ATOM 32 N TRP A 4 -18.764 1.423 -2.949 1.00 10.00 N ATOM 33 CA TRP A 4 -17.930 2.645 -2.723 1.00 10.00 C ATOM 34 C TRP A 4 -16.985 2.433 -1.534 1.00 10.00 C ATOM 35 O TRP A 4 -15.784 2.576 -1.658 1.00 10.00 O ATOM 36 CB TRP A 4 -18.928 3.770 -2.429 1.00 10.00 C ATOM 37 CG TRP A 4 -18.243 5.094 -2.565 1.00 10.00 C ATOM 38 CD1 TRP A 4 -18.316 5.898 -3.650 1.00 10.00 C ATOM 39 CD2 TRP A 4 -17.384 5.779 -1.606 1.00 10.00 C ATOM 40 NE1 TRP A 4 -17.559 7.032 -3.420 1.00 10.00 N ATOM 41 CE2 TRP A 4 -16.965 7.005 -2.173 1.00 10.00 C ATOM 42 CE3 TRP A 4 -16.933 5.459 -0.313 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -16.128 7.882 -1.482 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -16.092 6.339 0.385 1.00 10.00 C ATOM 45 CH2 TRP A 4 -15.690 7.549 -0.198 1.00 10.00 C ATOM 0 H TRP A 4 -19.763 1.543 -2.781 1.00 10.00 H new ATOM 0 HA TRP A 4 -17.305 2.878 -3.585 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -19.771 3.712 -3.118 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -19.331 3.659 -1.422 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -18.875 5.688 -4.550 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -17.452 7.795 -4.089 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -17.236 4.530 0.146 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -15.821 8.812 -1.937 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -15.752 6.083 1.378 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -15.043 8.222 0.345 1.00 10.00 H new ATOM 56 N LEU A 5 -17.518 2.093 -0.384 1.00 10.00 N ATOM 57 CA LEU A 5 -16.647 1.869 0.816 1.00 10.00 C ATOM 58 C LEU A 5 -15.643 0.741 0.542 1.00 10.00 C ATOM 59 O LEU A 5 -14.473 0.853 0.856 1.00 10.00 O ATOM 60 CB LEU A 5 -17.607 1.476 1.949 1.00 10.00 C ATOM 61 CG LEU A 5 -17.246 2.234 3.234 1.00 10.00 C ATOM 62 CD1 LEU A 5 -15.797 1.931 3.626 1.00 10.00 C ATOM 63 CD2 LEU A 5 -17.409 3.741 3.007 1.00 10.00 C ATOM 0 H LEU A 5 -18.517 1.961 -0.224 1.00 10.00 H new ATOM 0 HA LEU A 5 -16.066 2.755 1.070 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -18.634 1.702 1.661 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -17.554 0.402 2.124 1.00 10.00 H new ATOM 0 HG LEU A 5 -17.911 1.913 4.036 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -15.546 2.472 4.539 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -15.682 0.860 3.795 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -15.130 2.245 2.823 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -17.152 4.277 3.921 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -16.749 4.061 2.201 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -18.442 3.959 2.737 1.00 10.00 H new ATOM 75 N ARG A 6 -16.095 -0.338 -0.053 1.00 10.00 N ATOM 76 CA ARG A 6 -15.175 -1.478 -0.366 1.00 10.00 C ATOM 77 C ARG A 6 -14.098 -1.031 -1.367 1.00 10.00 C ATOM 78 O ARG A 6 -12.956 -1.440 -1.282 1.00 10.00 O ATOM 79 CB ARG A 6 -16.078 -2.552 -0.982 1.00 10.00 C ATOM 80 CG ARG A 6 -15.275 -3.831 -1.235 1.00 10.00 C ATOM 81 CD ARG A 6 -16.011 -4.698 -2.261 1.00 10.00 C ATOM 82 NE ARG A 6 -15.334 -6.026 -2.211 1.00 10.00 N ATOM 83 CZ ARG A 6 -15.683 -6.966 -3.050 1.00 10.00 C ATOM 84 NH1 ARG A 6 -16.763 -7.669 -2.830 1.00 10.00 N ATOM 85 NH2 ARG A 6 -14.949 -7.201 -4.106 1.00 10.00 N ATOM 0 H ARG A 6 -17.065 -0.478 -0.336 1.00 10.00 H new ATOM 0 HA ARG A 6 -14.650 -1.845 0.516 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -16.913 -2.763 -0.314 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -16.503 -2.189 -1.918 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -14.279 -3.582 -1.601 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -15.144 -4.382 -0.304 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -17.069 -4.786 -2.015 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -15.951 -4.263 -3.259 1.00 10.00 H new ATOM 0 HE ARG A 6 -14.601 -6.200 -1.524 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -17.333 -7.484 -2.004 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -17.036 -8.403 -3.484 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -14.106 -6.652 -4.274 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -15.219 -7.934 -4.762 1.00 10.00 H new ATOM 99 N ASP A 7 -14.460 -0.195 -2.311 1.00 10.00 N ATOM 100 CA ASP A 7 -13.470 0.291 -3.321 1.00 10.00 C ATOM 101 C ASP A 7 -12.378 1.125 -2.636 1.00 10.00 C ATOM 102 O ASP A 7 -11.201 0.940 -2.881 1.00 10.00 O ATOM 103 CB ASP A 7 -14.284 1.155 -4.291 1.00 10.00 C ATOM 104 CG ASP A 7 -13.376 1.685 -5.402 1.00 10.00 C ATOM 105 OD1 ASP A 7 -13.013 0.903 -6.265 1.00 10.00 O ATOM 106 OD2 ASP A 7 -13.065 2.864 -5.376 1.00 10.00 O ATOM 0 H ASP A 7 -15.405 0.173 -2.425 1.00 10.00 H new ATOM 0 HA ASP A 7 -12.965 -0.528 -3.833 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -15.096 0.568 -4.721 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -14.741 1.987 -3.755 1.00 10.00 H new ATOM 111 N ILE A 8 -12.764 2.039 -1.777 1.00 10.00 N ATOM 112 CA ILE A 8 -11.752 2.889 -1.068 1.00 10.00 C ATOM 113 C ILE A 8 -10.840 2.006 -0.201 1.00 10.00 C ATOM 114 O ILE A 8 -9.634 2.170 -0.193 1.00 10.00 O ATOM 115 CB ILE A 8 -12.580 3.869 -0.212 1.00 10.00 C ATOM 116 CG1 ILE A 8 -12.793 5.170 -0.994 1.00 10.00 C ATOM 117 CG2 ILE A 8 -11.848 4.190 1.098 1.00 10.00 C ATOM 118 CD1 ILE A 8 -13.781 4.935 -2.140 1.00 10.00 C ATOM 0 H ILE A 8 -13.736 2.234 -1.536 1.00 10.00 H new ATOM 0 HA ILE A 8 -11.096 3.425 -1.754 1.00 10.00 H new ATOM 0 HB ILE A 8 -13.539 3.406 0.020 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -13.172 5.946 -0.329 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -11.842 5.526 -1.390 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -12.447 4.883 1.689 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -11.693 3.271 1.663 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -10.883 4.645 0.874 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -13.927 5.864 -2.691 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -13.385 4.173 -2.812 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -14.736 4.600 -1.734 1.00 10.00 H new ATOM 130 N TRP A 9 -11.405 1.064 0.518 1.00 10.00 N ATOM 131 CA TRP A 9 -10.564 0.165 1.372 1.00 10.00 C ATOM 132 C TRP A 9 -9.650 -0.692 0.487 1.00 10.00 C ATOM 133 O TRP A 9 -8.516 -0.966 0.837 1.00 10.00 O ATOM 134 CB TRP A 9 -11.553 -0.712 2.146 1.00 10.00 C ATOM 135 CG TRP A 9 -11.692 -0.189 3.540 1.00 10.00 C ATOM 136 CD1 TRP A 9 -12.850 0.221 4.105 1.00 10.00 C ATOM 137 CD2 TRP A 9 -10.658 -0.011 4.553 1.00 10.00 C ATOM 138 NE1 TRP A 9 -12.594 0.641 5.398 1.00 10.00 N ATOM 139 CE2 TRP A 9 -11.257 0.516 5.720 1.00 10.00 C ATOM 140 CE3 TRP A 9 -9.272 -0.252 4.569 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -10.508 0.794 6.865 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -8.515 0.026 5.720 1.00 10.00 C ATOM 143 CH2 TRP A 9 -9.133 0.548 6.865 1.00 10.00 C ATOM 0 H TRP A 9 -12.408 0.880 0.550 1.00 10.00 H new ATOM 0 HA TRP A 9 -9.919 0.725 2.049 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.522 -0.714 1.648 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -11.203 -1.744 2.166 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -13.817 0.221 3.625 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -13.305 0.999 6.035 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -8.787 -0.653 3.691 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -10.988 1.196 7.745 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -7.452 -0.163 5.722 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -8.546 0.760 7.747 1.00 10.00 H new ATOM 154 N ASP A 10 -10.130 -1.098 -0.665 1.00 10.00 N ATOM 155 CA ASP A 10 -9.288 -1.918 -1.589 1.00 10.00 C ATOM 156 C ASP A 10 -8.047 -1.114 -2.003 1.00 10.00 C ATOM 157 O ASP A 10 -6.944 -1.625 -2.030 1.00 10.00 O ATOM 158 CB ASP A 10 -10.187 -2.200 -2.798 1.00 10.00 C ATOM 159 CG ASP A 10 -9.435 -3.057 -3.815 1.00 10.00 C ATOM 160 OD1 ASP A 10 -9.293 -4.243 -3.571 1.00 10.00 O ATOM 161 OD2 ASP A 10 -9.019 -2.514 -4.825 1.00 10.00 O ATOM 0 H ASP A 10 -11.070 -0.896 -1.004 1.00 10.00 H new ATOM 0 HA ASP A 10 -8.933 -2.841 -1.131 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.094 -2.713 -2.477 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.497 -1.262 -3.258 1.00 10.00 H new ATOM 166 N TRP A 11 -8.228 0.150 -2.308 1.00 10.00 N ATOM 167 CA TRP A 11 -7.072 1.013 -2.705 1.00 10.00 C ATOM 168 C TRP A 11 -6.113 1.177 -1.517 1.00 10.00 C ATOM 169 O TRP A 11 -4.907 1.147 -1.677 1.00 10.00 O ATOM 170 CB TRP A 11 -7.702 2.358 -3.091 1.00 10.00 C ATOM 171 CG TRP A 11 -6.637 3.323 -3.508 1.00 10.00 C ATOM 172 CD1 TRP A 11 -6.180 3.481 -4.771 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.895 4.268 -2.683 1.00 10.00 C ATOM 174 NE1 TRP A 11 -5.206 4.462 -4.774 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.993 4.977 -3.511 1.00 10.00 C ATOM 176 CE3 TRP A 11 -5.918 4.575 -1.311 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -4.143 5.956 -2.995 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -5.064 5.559 -0.788 1.00 10.00 C ATOM 179 CH2 TRP A 11 -4.178 6.248 -1.629 1.00 10.00 C ATOM 0 H TRP A 11 -9.132 0.622 -2.298 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.491 0.590 -3.524 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.413 2.215 -3.905 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.260 2.763 -2.247 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -6.520 2.931 -5.636 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -4.705 4.768 -5.608 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.597 4.050 -0.655 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -3.463 6.484 -3.647 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -5.089 5.787 0.267 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -3.523 7.004 -1.221 1.00 10.00 H new ATOM 190 N ILE A 12 -6.645 1.337 -0.328 1.00 10.00 N ATOM 191 CA ILE A 12 -5.770 1.486 0.878 1.00 10.00 C ATOM 192 C ILE A 12 -4.932 0.212 1.065 1.00 10.00 C ATOM 193 O ILE A 12 -3.770 0.269 1.421 1.00 10.00 O ATOM 194 CB ILE A 12 -6.736 1.692 2.056 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.348 3.095 1.972 1.00 10.00 C ATOM 196 CG2 ILE A 12 -5.980 1.549 3.382 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.625 3.150 2.816 1.00 10.00 C ATOM 0 H ILE A 12 -7.647 1.371 -0.141 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.071 2.318 0.791 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.525 0.941 2.008 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.633 3.837 2.328 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.575 3.342 0.935 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -6.671 1.696 4.212 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -5.543 0.553 3.446 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.188 2.296 3.432 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -9.059 4.148 2.755 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.341 2.420 2.440 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.385 2.921 3.854 1.00 10.00 H new ATOM 209 N CYS A 13 -5.517 -0.936 0.807 1.00 10.00 N ATOM 210 CA CYS A 13 -4.761 -2.219 0.947 1.00 10.00 C ATOM 211 C CYS A 13 -3.674 -2.304 -0.133 1.00 10.00 C ATOM 212 O CYS A 13 -2.597 -2.818 0.103 1.00 10.00 O ATOM 213 CB CYS A 13 -5.806 -3.322 0.752 1.00 10.00 C ATOM 214 SG CYS A 13 -5.135 -4.900 1.335 1.00 10.00 S ATOM 0 H CYS A 13 -6.486 -1.037 0.505 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.261 -2.305 1.912 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.716 -3.077 1.300 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.079 -3.397 -0.301 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.022 -5.836 1.171 1.00 10.00 H new ATOM 220 N GLU A 14 -3.948 -1.790 -1.311 1.00 10.00 N ATOM 221 CA GLU A 14 -2.932 -1.822 -2.410 1.00 10.00 C ATOM 222 C GLU A 14 -1.745 -0.926 -2.045 1.00 10.00 C ATOM 223 O GLU A 14 -0.599 -1.286 -2.226 1.00 10.00 O ATOM 224 CB GLU A 14 -3.661 -1.271 -3.641 1.00 10.00 C ATOM 225 CG GLU A 14 -3.364 -2.152 -4.859 1.00 10.00 C ATOM 226 CD GLU A 14 -1.993 -1.792 -5.440 1.00 10.00 C ATOM 227 OE1 GLU A 14 -1.768 -0.621 -5.711 1.00 10.00 O ATOM 228 OE2 GLU A 14 -1.190 -2.694 -5.606 1.00 10.00 O ATOM 0 H GLU A 14 -4.834 -1.349 -1.557 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.539 -2.823 -2.586 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -4.735 -1.241 -3.456 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.342 -0.247 -3.835 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -3.382 -3.203 -4.572 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -4.137 -2.015 -5.615 1.00 10.00 H new ATOM 235 N VAL A 15 -2.029 0.238 -1.524 1.00 10.00 N ATOM 236 CA VAL A 15 -0.942 1.187 -1.128 1.00 10.00 C ATOM 237 C VAL A 15 -0.189 0.639 0.091 1.00 10.00 C ATOM 238 O VAL A 15 1.027 0.632 0.124 1.00 10.00 O ATOM 239 CB VAL A 15 -1.661 2.499 -0.778 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.643 3.537 -0.296 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.381 3.038 -2.020 1.00 10.00 C ATOM 0 H VAL A 15 -2.976 0.577 -1.353 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.207 1.331 -1.920 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.386 2.307 0.013 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -1.159 4.465 -0.049 1.00 10.00 H new ATOM 0 HG12 VAL A 15 -0.131 3.160 0.589 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.086 3.725 -1.084 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.890 3.969 -1.770 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.654 3.223 -2.810 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.111 2.306 -2.364 1.00 10.00 H new ATOM 251 N LEU A 16 -0.907 0.174 1.090 1.00 10.00 N ATOM 252 CA LEU A 16 -0.239 -0.380 2.309 1.00 10.00 C ATOM 253 C LEU A 16 0.611 -1.605 1.943 1.00 10.00 C ATOM 254 O LEU A 16 1.739 -1.733 2.380 1.00 10.00 O ATOM 255 CB LEU A 16 -1.382 -0.775 3.250 1.00 10.00 C ATOM 256 CG LEU A 16 -0.830 -1.021 4.659 1.00 10.00 C ATOM 257 CD1 LEU A 16 -1.560 -0.125 5.662 1.00 10.00 C ATOM 258 CD2 LEU A 16 -1.043 -2.489 5.042 1.00 10.00 C ATOM 0 H LEU A 16 -1.927 0.155 1.111 1.00 10.00 H new ATOM 0 HA LEU A 16 0.434 0.342 2.771 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.134 0.014 3.276 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.876 -1.674 2.881 1.00 10.00 H new ATOM 0 HG LEU A 16 0.235 -0.789 4.674 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.165 -0.302 6.663 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -1.410 0.920 5.393 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.626 -0.354 5.646 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -0.651 -2.664 6.044 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.108 -2.719 5.024 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -0.522 -3.130 4.331 1.00 10.00 H new ATOM 270 N SER A 17 0.081 -2.500 1.138 1.00 10.00 N ATOM 271 CA SER A 17 0.868 -3.711 0.738 1.00 10.00 C ATOM 272 C SER A 17 2.138 -3.284 -0.006 1.00 10.00 C ATOM 273 O SER A 17 3.216 -3.787 0.254 1.00 10.00 O ATOM 274 CB SER A 17 -0.053 -4.512 -0.186 1.00 10.00 C ATOM 275 OG SER A 17 0.453 -5.836 -0.319 1.00 10.00 O ATOM 0 H SER A 17 -0.858 -2.443 0.743 1.00 10.00 H new ATOM 0 HA SER A 17 1.180 -4.301 1.599 1.00 10.00 H new ATOM 0 HB2 SER A 17 -1.064 -4.536 0.220 1.00 10.00 H new ATOM 0 HB3 SER A 17 -0.113 -4.033 -1.163 1.00 10.00 H new ATOM 0 HG SER A 17 -0.135 -6.353 -0.909 1.00 10.00 H new ATOM 281 N ASP A 18 2.022 -2.346 -0.916 1.00 10.00 N ATOM 282 CA ASP A 18 3.226 -1.873 -1.663 1.00 10.00 C ATOM 283 C ASP A 18 4.153 -1.104 -0.717 1.00 10.00 C ATOM 284 O ASP A 18 5.353 -1.247 -0.783 1.00 10.00 O ATOM 285 CB ASP A 18 2.692 -0.954 -2.767 1.00 10.00 C ATOM 286 CG ASP A 18 3.847 -0.152 -3.379 1.00 10.00 C ATOM 287 OD1 ASP A 18 4.603 -0.726 -4.145 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.961 1.021 -3.062 1.00 10.00 O ATOM 0 H ASP A 18 1.146 -1.890 -1.172 1.00 10.00 H new ATOM 0 HA ASP A 18 3.803 -2.698 -2.081 1.00 10.00 H new ATOM 0 HB2 ASP A 18 2.199 -1.546 -3.538 1.00 10.00 H new ATOM 0 HB3 ASP A 18 1.943 -0.276 -2.358 1.00 10.00 H new ATOM 293 N PHE A 19 3.603 -0.298 0.164 1.00 10.00 N ATOM 294 CA PHE A 19 4.453 0.480 1.124 1.00 10.00 C ATOM 295 C PHE A 19 5.507 -0.430 1.767 1.00 10.00 C ATOM 296 O PHE A 19 6.659 -0.063 1.891 1.00 10.00 O ATOM 297 CB PHE A 19 3.486 1.000 2.191 1.00 10.00 C ATOM 298 CG PHE A 19 3.836 2.428 2.535 1.00 10.00 C ATOM 299 CD1 PHE A 19 4.806 2.694 3.509 1.00 10.00 C ATOM 300 CD2 PHE A 19 3.192 3.485 1.880 1.00 10.00 C ATOM 301 CE1 PHE A 19 5.132 4.016 3.828 1.00 10.00 C ATOM 302 CE2 PHE A 19 3.519 4.808 2.201 1.00 10.00 C ATOM 303 CZ PHE A 19 4.489 5.074 3.174 1.00 10.00 C ATOM 0 H PHE A 19 2.599 -0.146 0.259 1.00 10.00 H new ATOM 0 HA PHE A 19 4.988 1.288 0.626 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.460 0.944 1.826 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.542 0.376 3.083 1.00 10.00 H new ATOM 0 HD1 PHE A 19 5.302 1.878 4.014 1.00 10.00 H new ATOM 0 HD2 PHE A 19 2.444 3.280 1.128 1.00 10.00 H new ATOM 0 HE1 PHE A 19 5.880 4.221 4.579 1.00 10.00 H new ATOM 0 HE2 PHE A 19 3.022 5.624 1.697 1.00 10.00 H new ATOM 0 HZ PHE A 19 4.741 6.095 3.420 1.00 10.00 H new ATOM 313 N LYS A 20 5.118 -1.617 2.165 1.00 10.00 N ATOM 314 CA LYS A 20 6.096 -2.560 2.790 1.00 10.00 C ATOM 315 C LYS A 20 7.208 -2.911 1.788 1.00 10.00 C ATOM 316 O LYS A 20 8.375 -2.931 2.130 1.00 10.00 O ATOM 317 CB LYS A 20 5.283 -3.807 3.150 1.00 10.00 C ATOM 318 CG LYS A 20 6.122 -4.725 4.045 1.00 10.00 C ATOM 319 CD LYS A 20 5.847 -6.189 3.684 1.00 10.00 C ATOM 320 CE LYS A 20 7.161 -6.883 3.305 1.00 10.00 C ATOM 321 NZ LYS A 20 7.715 -7.404 4.589 1.00 10.00 N ATOM 0 H LYS A 20 4.166 -1.973 2.084 1.00 10.00 H new ATOM 0 HA LYS A 20 6.580 -2.128 3.666 1.00 10.00 H new ATOM 0 HB2 LYS A 20 4.366 -3.520 3.664 1.00 10.00 H new ATOM 0 HB3 LYS A 20 4.988 -4.336 2.244 1.00 10.00 H new ATOM 0 HG2 LYS A 20 7.182 -4.502 3.920 1.00 10.00 H new ATOM 0 HG3 LYS A 20 5.881 -4.547 5.093 1.00 10.00 H new ATOM 0 HD2 LYS A 20 5.384 -6.701 4.528 1.00 10.00 H new ATOM 0 HD3 LYS A 20 5.143 -6.243 2.853 1.00 10.00 H new ATOM 0 HE2 LYS A 20 6.988 -7.691 2.594 1.00 10.00 H new ATOM 0 HE3 LYS A 20 7.852 -6.185 2.832 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 8.615 -7.892 4.406 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 7.877 -6.612 5.244 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 7.040 -8.072 5.013 1.00 10.00 H new ATOM 335 N THR A 21 6.853 -3.184 0.554 1.00 10.00 N ATOM 336 CA THR A 21 7.890 -3.526 -0.472 1.00 10.00 C ATOM 337 C THR A 21 8.586 -2.252 -0.965 1.00 10.00 C ATOM 338 O THR A 21 9.788 -2.227 -1.143 1.00 10.00 O ATOM 339 CB THR A 21 7.133 -4.202 -1.626 1.00 10.00 C ATOM 340 OG1 THR A 21 6.060 -4.985 -1.112 1.00 10.00 O ATOM 341 CG2 THR A 21 8.093 -5.105 -2.404 1.00 10.00 C ATOM 0 H THR A 21 5.891 -3.185 0.214 1.00 10.00 H new ATOM 0 HA THR A 21 8.661 -4.179 -0.063 1.00 10.00 H new ATOM 0 HB THR A 21 6.731 -3.435 -2.288 1.00 10.00 H new ATOM 0 HG1 THR A 21 5.581 -5.411 -1.854 1.00 10.00 H new ATOM 0 HG21 THR A 21 7.558 -5.585 -3.223 1.00 10.00 H new ATOM 0 HG22 THR A 21 8.910 -4.506 -2.806 1.00 10.00 H new ATOM 0 HG23 THR A 21 8.496 -5.867 -1.737 1.00 10.00 H new ATOM 349 N TRP A 22 7.841 -1.196 -1.176 1.00 10.00 N ATOM 350 CA TRP A 22 8.447 0.088 -1.650 1.00 10.00 C ATOM 351 C TRP A 22 9.522 0.561 -0.667 1.00 10.00 C ATOM 352 O TRP A 22 10.570 1.032 -1.061 1.00 10.00 O ATOM 353 CB TRP A 22 7.287 1.087 -1.684 1.00 10.00 C ATOM 354 CG TRP A 22 7.506 2.076 -2.785 1.00 10.00 C ATOM 355 CD1 TRP A 22 6.991 1.980 -4.032 1.00 10.00 C ATOM 356 CD2 TRP A 22 8.287 3.305 -2.757 1.00 10.00 C ATOM 357 NE1 TRP A 22 7.407 3.073 -4.772 1.00 10.00 N ATOM 358 CE2 TRP A 22 8.208 3.918 -4.030 1.00 10.00 C ATOM 359 CE3 TRP A 22 9.049 3.941 -1.760 1.00 10.00 C ATOM 360 CZ2 TRP A 22 8.861 5.121 -4.304 1.00 10.00 C ATOM 361 CZ3 TRP A 22 9.708 5.151 -2.033 1.00 10.00 C ATOM 362 CH2 TRP A 22 9.614 5.739 -3.302 1.00 10.00 C ATOM 0 H TRP A 22 6.831 -1.167 -1.039 1.00 10.00 H new ATOM 0 HA TRP A 22 8.926 -0.020 -2.623 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.345 0.560 -1.837 1.00 10.00 H new ATOM 0 HB3 TRP A 22 7.211 1.604 -0.727 1.00 10.00 H new ATOM 0 HD1 TRP A 22 6.359 1.181 -4.391 1.00 10.00 H new ATOM 0 HE1 TRP A 22 7.153 3.235 -5.747 1.00 10.00 H new ATOM 0 HE3 TRP A 22 9.128 3.496 -0.779 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 8.785 5.571 -5.283 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 10.291 5.631 -1.261 1.00 10.00 H new ATOM 0 HH2 TRP A 22 10.123 6.669 -3.505 1.00 10.00 H new ATOM 373 N LEU A 23 9.257 0.446 0.610 1.00 10.00 N ATOM 374 CA LEU A 23 10.252 0.894 1.636 1.00 10.00 C ATOM 375 C LEU A 23 11.418 -0.103 1.759 1.00 10.00 C ATOM 376 O LEU A 23 12.472 0.239 2.257 1.00 10.00 O ATOM 377 CB LEU A 23 9.468 0.959 2.955 1.00 10.00 C ATOM 378 CG LEU A 23 8.944 2.382 3.196 1.00 10.00 C ATOM 379 CD1 LEU A 23 10.121 3.343 3.379 1.00 10.00 C ATOM 380 CD2 LEU A 23 8.096 2.839 2.003 1.00 10.00 C ATOM 0 H LEU A 23 8.392 0.060 0.989 1.00 10.00 H new ATOM 0 HA LEU A 23 10.694 1.853 1.367 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.634 0.258 2.925 1.00 10.00 H new ATOM 0 HB3 LEU A 23 10.110 0.656 3.782 1.00 10.00 H new ATOM 0 HG LEU A 23 8.329 2.383 4.096 1.00 10.00 H new ATOM 0 HD11 LEU A 23 9.744 4.351 3.550 1.00 10.00 H new ATOM 0 HD12 LEU A 23 10.718 3.029 4.235 1.00 10.00 H new ATOM 0 HD13 LEU A 23 10.741 3.334 2.482 1.00 10.00 H new ATOM 0 HD21 LEU A 23 7.729 3.849 2.183 1.00 10.00 H new ATOM 0 HD22 LEU A 23 8.705 2.830 1.099 1.00 10.00 H new ATOM 0 HD23 LEU A 23 7.250 2.163 1.877 1.00 10.00 H new ATOM 392 N LYS A 24 11.243 -1.328 1.321 1.00 10.00 N ATOM 393 CA LYS A 24 12.349 -2.332 1.428 1.00 10.00 C ATOM 394 C LYS A 24 13.089 -2.474 0.089 1.00 10.00 C ATOM 395 O LYS A 24 14.292 -2.633 0.055 1.00 10.00 O ATOM 396 CB LYS A 24 11.656 -3.644 1.801 1.00 10.00 C ATOM 397 CG LYS A 24 12.702 -4.672 2.245 1.00 10.00 C ATOM 398 CD LYS A 24 12.557 -5.946 1.408 1.00 10.00 C ATOM 399 CE LYS A 24 11.659 -6.947 2.144 1.00 10.00 C ATOM 400 NZ LYS A 24 12.055 -8.286 1.618 1.00 10.00 N ATOM 0 H LYS A 24 10.384 -1.675 0.895 1.00 10.00 H new ATOM 0 HA LYS A 24 13.097 -2.038 2.164 1.00 10.00 H new ATOM 0 HB2 LYS A 24 10.938 -3.472 2.603 1.00 10.00 H new ATOM 0 HB3 LYS A 24 11.096 -4.026 0.948 1.00 10.00 H new ATOM 0 HG2 LYS A 24 13.704 -4.260 2.128 1.00 10.00 H new ATOM 0 HG3 LYS A 24 12.574 -4.903 3.303 1.00 10.00 H new ATOM 0 HD2 LYS A 24 12.130 -5.707 0.434 1.00 10.00 H new ATOM 0 HD3 LYS A 24 13.537 -6.387 1.226 1.00 10.00 H new ATOM 0 HE2 LYS A 24 11.805 -6.888 3.223 1.00 10.00 H new ATOM 0 HE3 LYS A 24 10.605 -6.745 1.954 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 11.482 -9.023 2.077 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 11.898 -8.315 0.590 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 13.061 -8.455 1.820 1.00 10.00 H new ATOM 414 N ALA A 25 12.379 -2.421 -1.010 1.00 10.00 N ATOM 415 CA ALA A 25 13.041 -2.558 -2.347 1.00 10.00 C ATOM 416 C ALA A 25 13.800 -1.277 -2.731 1.00 10.00 C ATOM 417 O ALA A 25 14.559 -1.271 -3.680 1.00 10.00 O ATOM 418 CB ALA A 25 11.898 -2.815 -3.333 1.00 10.00 C ATOM 0 H ALA A 25 11.368 -2.289 -1.041 1.00 10.00 H new ATOM 0 HA ALA A 25 13.778 -3.361 -2.346 1.00 10.00 H new ATOM 0 HB1 ALA A 25 12.303 -2.927 -4.339 1.00 10.00 H new ATOM 0 HB2 ALA A 25 11.372 -3.727 -3.050 1.00 10.00 H new ATOM 0 HB3 ALA A 25 11.204 -1.975 -3.313 1.00 10.00 H new ATOM 424 N LYS A 26 13.605 -0.193 -2.015 1.00 10.00 N ATOM 425 CA LYS A 26 14.324 1.072 -2.364 1.00 10.00 C ATOM 426 C LYS A 26 15.696 1.118 -1.676 1.00 10.00 C ATOM 427 O LYS A 26 16.703 1.381 -2.306 1.00 10.00 O ATOM 428 CB LYS A 26 13.425 2.202 -1.853 1.00 10.00 C ATOM 429 CG LYS A 26 13.753 3.498 -2.602 1.00 10.00 C ATOM 430 CD LYS A 26 12.574 3.886 -3.500 1.00 10.00 C ATOM 431 CE LYS A 26 12.932 3.621 -4.966 1.00 10.00 C ATOM 432 NZ LYS A 26 11.642 3.263 -5.625 1.00 10.00 N ATOM 0 H LYS A 26 12.983 -0.131 -1.209 1.00 10.00 H new ATOM 0 HA LYS A 26 14.508 1.154 -3.435 1.00 10.00 H new ATOM 0 HB2 LYS A 26 12.377 1.941 -1.999 1.00 10.00 H new ATOM 0 HB3 LYS A 26 13.572 2.342 -0.782 1.00 10.00 H new ATOM 0 HG2 LYS A 26 13.960 4.298 -1.891 1.00 10.00 H new ATOM 0 HG3 LYS A 26 14.652 3.365 -3.203 1.00 10.00 H new ATOM 0 HD2 LYS A 26 11.689 3.313 -3.222 1.00 10.00 H new ATOM 0 HD3 LYS A 26 12.329 4.939 -3.360 1.00 10.00 H new ATOM 0 HE2 LYS A 26 13.379 4.501 -5.428 1.00 10.00 H new ATOM 0 HE3 LYS A 26 13.657 2.812 -5.054 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 11.706 3.462 -6.644 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 11.448 2.251 -5.481 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 10.872 3.826 -5.210 1.00 10.00 H new ATOM 446 N LEU A 27 15.739 0.869 -0.389 1.00 10.00 N ATOM 447 CA LEU A 27 17.047 0.903 0.341 1.00 10.00 C ATOM 448 C LEU A 27 17.435 -0.491 0.866 1.00 10.00 C ATOM 449 O LEU A 27 18.605 -0.784 1.027 1.00 10.00 O ATOM 450 CB LEU A 27 16.847 1.891 1.502 1.00 10.00 C ATOM 451 CG LEU A 27 15.700 1.430 2.413 1.00 10.00 C ATOM 452 CD1 LEU A 27 16.197 1.339 3.858 1.00 10.00 C ATOM 453 CD2 LEU A 27 14.551 2.438 2.334 1.00 10.00 C ATOM 0 H LEU A 27 14.928 0.644 0.187 1.00 10.00 H new ATOM 0 HA LEU A 27 17.859 1.212 -0.317 1.00 10.00 H new ATOM 0 HB2 LEU A 27 17.767 1.972 2.080 1.00 10.00 H new ATOM 0 HB3 LEU A 27 16.629 2.884 1.108 1.00 10.00 H new ATOM 0 HG LEU A 27 15.350 0.450 2.087 1.00 10.00 H new ATOM 0 HD11 LEU A 27 15.382 1.012 4.503 1.00 10.00 H new ATOM 0 HD12 LEU A 27 17.016 0.622 3.917 1.00 10.00 H new ATOM 0 HD13 LEU A 27 16.547 2.318 4.185 1.00 10.00 H new ATOM 0 HD21 LEU A 27 13.736 2.112 2.980 1.00 10.00 H new ATOM 0 HD22 LEU A 27 14.903 3.417 2.659 1.00 10.00 H new ATOM 0 HD23 LEU A 27 14.195 2.504 1.306 1.00 10.00 H new ATOM 465 N MET A 28 16.470 -1.351 1.127 1.00 10.00 N ATOM 466 CA MET A 28 16.777 -2.728 1.638 1.00 10.00 C ATOM 467 C MET A 28 17.681 -2.660 2.882 1.00 10.00 C ATOM 468 O MET A 28 18.874 -2.891 2.797 1.00 10.00 O ATOM 469 CB MET A 28 17.486 -3.438 0.476 1.00 10.00 C ATOM 470 CG MET A 28 17.571 -4.940 0.761 1.00 10.00 C ATOM 471 SD MET A 28 15.961 -5.708 0.452 1.00 10.00 S ATOM 472 CE MET A 28 16.549 -7.410 0.276 1.00 10.00 C ATOM 0 H MET A 28 15.477 -1.153 1.006 1.00 10.00 H new ATOM 0 HA MET A 28 15.877 -3.260 1.946 1.00 10.00 H new ATOM 0 HB2 MET A 28 16.943 -3.265 -0.453 1.00 10.00 H new ATOM 0 HB3 MET A 28 18.486 -3.027 0.342 1.00 10.00 H new ATOM 0 HG2 MET A 28 18.331 -5.398 0.128 1.00 10.00 H new ATOM 0 HG3 MET A 28 17.873 -5.108 1.795 1.00 10.00 H new ATOM 0 HE1 MET A 28 15.703 -8.068 0.077 1.00 10.00 H new ATOM 0 HE2 MET A 28 17.256 -7.467 -0.551 1.00 10.00 H new ATOM 0 HE3 MET A 28 17.042 -7.722 1.197 1.00 10.00 H new ATOM 482 N PRO A 29 17.078 -2.341 4.005 1.00 10.00 N ATOM 483 CA PRO A 29 17.839 -2.239 5.280 1.00 10.00 C ATOM 484 C PRO A 29 18.214 -3.630 5.812 1.00 10.00 C ATOM 485 O PRO A 29 17.957 -4.641 5.183 1.00 10.00 O ATOM 486 CB PRO A 29 16.864 -1.542 6.224 1.00 10.00 C ATOM 487 CG PRO A 29 15.504 -1.843 5.678 1.00 10.00 C ATOM 488 CD PRO A 29 15.649 -2.049 4.192 1.00 10.00 C ATOM 0 HA PRO A 29 18.780 -1.701 5.167 1.00 10.00 H new ATOM 0 HB2 PRO A 29 16.970 -1.913 7.243 1.00 10.00 H new ATOM 0 HB3 PRO A 29 17.047 -0.468 6.255 1.00 10.00 H new ATOM 0 HG2 PRO A 29 15.090 -2.734 6.150 1.00 10.00 H new ATOM 0 HG3 PRO A 29 14.817 -1.023 5.886 1.00 10.00 H new ATOM 0 HD2 PRO A 29 15.025 -2.871 3.841 1.00 10.00 H new ATOM 0 HD3 PRO A 29 15.348 -1.161 3.636 1.00 10.00 H new ATOM 496 N GLN A 30 18.821 -3.681 6.973 1.00 10.00 N ATOM 497 CA GLN A 30 19.221 -4.997 7.563 1.00 10.00 C ATOM 498 C GLN A 30 19.054 -4.977 9.089 1.00 10.00 C ATOM 499 O GLN A 30 18.889 -3.930 9.685 1.00 10.00 O ATOM 500 CB GLN A 30 20.697 -5.179 7.178 1.00 10.00 C ATOM 501 CG GLN A 30 21.568 -4.157 7.923 1.00 10.00 C ATOM 502 CD GLN A 30 22.537 -3.494 6.941 1.00 10.00 C ATOM 503 OE1 GLN A 30 23.714 -3.794 6.934 1.00 10.00 O ATOM 504 NE2 GLN A 30 22.089 -2.595 6.105 1.00 10.00 N ATOM 0 H GLN A 30 19.057 -2.866 7.539 1.00 10.00 H new ATOM 0 HA GLN A 30 18.603 -5.815 7.194 1.00 10.00 H new ATOM 0 HB2 GLN A 30 21.022 -6.191 7.421 1.00 10.00 H new ATOM 0 HB3 GLN A 30 20.818 -5.055 6.102 1.00 10.00 H new ATOM 0 HG2 GLN A 30 20.938 -3.402 8.393 1.00 10.00 H new ATOM 0 HG3 GLN A 30 22.124 -4.651 8.720 1.00 10.00 H new ATOM 0 HE21 GLN A 30 21.101 -2.342 6.109 1.00 10.00 H new ATOM 0 HE22 GLN A 30 22.727 -2.146 5.448 1.00 10.00 H new ATOM 513 N LEU A 31 19.102 -6.138 9.712 1.00 10.00 N ATOM 514 CA LEU A 31 18.955 -6.244 11.209 1.00 10.00 C ATOM 515 C LEU A 31 17.514 -5.919 11.657 1.00 10.00 C ATOM 516 O LEU A 31 17.149 -6.339 12.743 1.00 10.00 O ATOM 517 CB LEU A 31 19.999 -5.266 11.803 1.00 10.00 C ATOM 518 CG LEU A 31 19.329 -4.072 12.502 1.00 10.00 C ATOM 519 CD1 LEU A 31 19.224 -4.348 14.005 1.00 10.00 C ATOM 520 CD2 LEU A 31 20.173 -2.814 12.278 1.00 10.00 C ATOM 521 OXT LEU A 31 16.796 -5.273 10.908 1.00 10.00 O ATOM 0 H LEU A 31 19.239 -7.031 9.239 1.00 10.00 H new ATOM 0 HA LEU A 31 19.135 -7.259 11.564 1.00 10.00 H new ATOM 0 HB2 LEU A 31 20.630 -5.797 12.515 1.00 10.00 H new ATOM 0 HB3 LEU A 31 20.651 -4.903 11.008 1.00 10.00 H new ATOM 0 HG LEU A 31 18.331 -3.925 12.089 1.00 10.00 H new ATOM 0 HD11 LEU A 31 18.749 -3.500 14.498 1.00 10.00 H new ATOM 0 HD12 LEU A 31 18.627 -5.245 14.169 1.00 10.00 H new ATOM 0 HD13 LEU A 31 20.222 -4.496 14.418 1.00 10.00 H new ATOM 0 HD21 LEU A 31 19.700 -1.966 12.773 1.00 10.00 H new ATOM 0 HD22 LEU A 31 21.170 -2.966 12.692 1.00 10.00 H new ATOM 0 HD23 LEU A 31 20.251 -2.614 11.209 1.00 10.00 H new TER 533 LEU A 31