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+ 147:sc= 0.141 (180deg=0.0123) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0662 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 86:sc= 0.14 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= -0.818 K(o=-0.82,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -26.588 2.641 -8.862 1.00 10.00 N ATOM 2 CA SER A 1 -25.769 3.168 -7.729 1.00 10.00 C ATOM 3 C SER A 1 -24.529 2.290 -7.522 1.00 10.00 C ATOM 4 O SER A 1 -24.636 1.108 -7.248 1.00 10.00 O ATOM 5 CB SER A 1 -26.685 3.104 -6.504 1.00 10.00 C ATOM 6 OG SER A 1 -27.909 3.772 -6.795 1.00 10.00 O ATOM 0 H1 SER A 1 -27.595 2.819 -8.675 1.00 10.00 H new ATOM 0 H2 SER A 1 -26.310 3.119 -9.743 1.00 10.00 H new ATOM 0 H3 SER A 1 -26.430 1.618 -8.958 1.00 10.00 H new ATOM 0 HA SER A 1 -25.415 4.182 -7.914 1.00 10.00 H new ATOM 0 HB2 SER A 1 -26.879 2.066 -6.235 1.00 10.00 H new ATOM 0 HB3 SER A 1 -26.198 3.570 -5.647 1.00 10.00 H new ATOM 0 HG SER A 1 -28.498 3.731 -6.013 1.00 10.00 H new ATOM 14 N GLY A 2 -23.355 2.858 -7.651 1.00 10.00 N ATOM 15 CA GLY A 2 -22.105 2.062 -7.464 1.00 10.00 C ATOM 16 C GLY A 2 -21.516 2.347 -6.079 1.00 10.00 C ATOM 17 O GLY A 2 -21.619 3.446 -5.567 1.00 10.00 O ATOM 0 H GLY A 2 -23.210 3.842 -7.878 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -22.320 0.998 -7.567 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -21.381 2.317 -8.238 1.00 10.00 H new ATOM 21 N SER A 3 -20.895 1.366 -5.472 1.00 10.00 N ATOM 22 CA SER A 3 -20.294 1.576 -4.118 1.00 10.00 C ATOM 23 C SER A 3 -18.941 2.289 -4.240 1.00 10.00 C ATOM 24 O SER A 3 -18.135 1.966 -5.093 1.00 10.00 O ATOM 25 CB SER A 3 -20.108 0.172 -3.536 1.00 10.00 C ATOM 26 OG SER A 3 -19.997 0.259 -2.120 1.00 10.00 O ATOM 0 H SER A 3 -20.778 0.428 -5.856 1.00 10.00 H new ATOM 0 HA SER A 3 -20.926 2.198 -3.484 1.00 10.00 H new ATOM 0 HB2 SER A 3 -20.953 -0.461 -3.808 1.00 10.00 H new ATOM 0 HB3 SER A 3 -19.215 -0.292 -3.954 1.00 10.00 H new ATOM 0 HG SER A 3 -19.880 -0.639 -1.745 1.00 10.00 H new ATOM 32 N TRP A 4 -18.688 3.256 -3.393 1.00 10.00 N ATOM 33 CA TRP A 4 -17.389 3.993 -3.454 1.00 10.00 C ATOM 34 C TRP A 4 -16.495 3.617 -2.265 1.00 10.00 C ATOM 35 O TRP A 4 -15.307 3.412 -2.423 1.00 10.00 O ATOM 36 CB TRP A 4 -17.766 5.476 -3.399 1.00 10.00 C ATOM 37 CG TRP A 4 -16.767 6.276 -4.174 1.00 10.00 C ATOM 38 CD1 TRP A 4 -16.378 6.013 -5.443 1.00 10.00 C ATOM 39 CD2 TRP A 4 -16.025 7.460 -3.756 1.00 10.00 C ATOM 40 NE1 TRP A 4 -15.444 6.955 -5.829 1.00 10.00 N ATOM 41 CE2 TRP A 4 -15.194 7.870 -4.824 1.00 10.00 C ATOM 42 CE3 TRP A 4 -15.994 8.209 -2.566 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -14.360 8.984 -4.717 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -15.156 9.330 -2.455 1.00 10.00 C ATOM 45 CH2 TRP A 4 -14.341 9.717 -3.528 1.00 10.00 C ATOM 0 H TRP A 4 -19.327 3.567 -2.661 1.00 10.00 H new ATOM 0 HA TRP A 4 -16.826 3.749 -4.355 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -18.764 5.624 -3.811 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -17.795 5.816 -2.364 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -16.739 5.199 -6.055 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -14.994 6.973 -6.744 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -16.618 7.920 -1.733 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -13.734 9.277 -5.547 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -15.139 9.898 -1.537 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -13.699 10.581 -3.435 1.00 10.00 H new ATOM 56 N LEU A 5 -17.055 3.527 -1.079 1.00 10.00 N ATOM 57 CA LEU A 5 -16.234 3.165 0.124 1.00 10.00 C ATOM 58 C LEU A 5 -15.483 1.847 -0.112 1.00 10.00 C ATOM 59 O LEU A 5 -14.288 1.764 0.098 1.00 10.00 O ATOM 60 CB LEU A 5 -17.241 3.017 1.271 1.00 10.00 C ATOM 61 CG LEU A 5 -16.505 3.080 2.613 1.00 10.00 C ATOM 62 CD1 LEU A 5 -17.280 3.972 3.584 1.00 10.00 C ATOM 63 CD2 LEU A 5 -16.391 1.670 3.200 1.00 10.00 C ATOM 0 H LEU A 5 -18.045 3.689 -0.892 1.00 10.00 H new ATOM 0 HA LEU A 5 -15.479 3.920 0.343 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -17.988 3.809 1.217 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -17.773 2.070 1.181 1.00 10.00 H new ATOM 0 HG LEU A 5 -15.508 3.493 2.458 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -16.754 4.015 4.538 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -17.361 4.977 3.169 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -18.278 3.561 3.738 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -15.867 1.715 4.155 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -17.388 1.257 3.352 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -15.836 1.033 2.511 1.00 10.00 H new ATOM 75 N ARG A 6 -16.170 0.822 -0.557 1.00 10.00 N ATOM 76 CA ARG A 6 -15.490 -0.487 -0.818 1.00 10.00 C ATOM 77 C ARG A 6 -14.412 -0.314 -1.899 1.00 10.00 C ATOM 78 O ARG A 6 -13.350 -0.901 -1.825 1.00 10.00 O ATOM 79 CB ARG A 6 -16.597 -1.430 -1.304 1.00 10.00 C ATOM 80 CG ARG A 6 -16.187 -2.882 -1.042 1.00 10.00 C ATOM 81 CD ARG A 6 -17.416 -3.791 -1.143 1.00 10.00 C ATOM 82 NE ARG A 6 -18.127 -3.626 0.158 1.00 10.00 N ATOM 83 CZ ARG A 6 -18.240 -4.638 0.975 1.00 10.00 C ATOM 84 NH1 ARG A 6 -19.257 -5.453 0.868 1.00 10.00 N ATOM 85 NH2 ARG A 6 -17.336 -4.835 1.899 1.00 10.00 N ATOM 0 H ARG A 6 -17.171 0.835 -0.751 1.00 10.00 H new ATOM 0 HA ARG A 6 -14.992 -0.877 0.070 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -17.531 -1.207 -0.789 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -16.776 -1.279 -2.368 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -15.432 -3.193 -1.764 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -15.737 -2.970 -0.053 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -18.052 -3.503 -1.980 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -17.127 -4.829 -1.306 1.00 10.00 H new ATOM 0 HE ARG A 6 -18.525 -2.721 0.410 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -19.961 -5.298 0.147 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -19.346 -6.244 1.506 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -16.543 -4.198 1.981 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -17.423 -5.625 2.538 1.00 10.00 H new ATOM 99 N ASP A 7 -14.683 0.500 -2.895 1.00 10.00 N ATOM 100 CA ASP A 7 -13.683 0.732 -3.984 1.00 10.00 C ATOM 101 C ASP A 7 -12.384 1.307 -3.399 1.00 10.00 C ATOM 102 O ASP A 7 -11.297 0.946 -3.809 1.00 10.00 O ATOM 103 CB ASP A 7 -14.346 1.750 -4.918 1.00 10.00 C ATOM 104 CG ASP A 7 -13.590 1.800 -6.246 1.00 10.00 C ATOM 105 OD1 ASP A 7 -13.906 1.005 -7.117 1.00 10.00 O ATOM 106 OD2 ASP A 7 -12.705 2.632 -6.369 1.00 10.00 O ATOM 0 H ASP A 7 -15.558 1.014 -2.999 1.00 10.00 H new ATOM 0 HA ASP A 7 -13.417 -0.188 -4.504 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -15.387 1.475 -5.091 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -14.350 2.736 -4.453 1.00 10.00 H new ATOM 111 N ILE A 8 -12.491 2.193 -2.439 1.00 10.00 N ATOM 112 CA ILE A 8 -11.267 2.789 -1.817 1.00 10.00 C ATOM 113 C ILE A 8 -10.677 1.828 -0.772 1.00 10.00 C ATOM 114 O ILE A 8 -9.480 1.804 -0.553 1.00 10.00 O ATOM 115 CB ILE A 8 -11.741 4.089 -1.152 1.00 10.00 C ATOM 116 CG1 ILE A 8 -12.342 5.024 -2.210 1.00 10.00 C ATOM 117 CG2 ILE A 8 -10.554 4.786 -0.478 1.00 10.00 C ATOM 118 CD1 ILE A 8 -13.559 5.743 -1.626 1.00 10.00 C ATOM 0 H ILE A 8 -13.375 2.530 -2.058 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.484 2.975 -2.552 1.00 10.00 H new ATOM 0 HB ILE A 8 -12.498 3.851 -0.405 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -11.597 5.751 -2.533 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -12.633 4.453 -3.092 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -10.893 5.708 -0.007 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -10.127 4.128 0.279 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -9.796 5.018 -1.226 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -13.985 6.407 -2.378 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -14.306 5.008 -1.325 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -13.254 6.327 -0.757 1.00 10.00 H new ATOM 130 N TRP A 9 -11.508 1.040 -0.126 1.00 10.00 N ATOM 131 CA TRP A 9 -10.999 0.080 0.908 1.00 10.00 C ATOM 132 C TRP A 9 -9.940 -0.852 0.302 1.00 10.00 C ATOM 133 O TRP A 9 -8.880 -1.043 0.868 1.00 10.00 O ATOM 134 CB TRP A 9 -12.226 -0.719 1.356 1.00 10.00 C ATOM 135 CG TRP A 9 -11.979 -1.291 2.717 1.00 10.00 C ATOM 136 CD1 TRP A 9 -11.974 -2.610 3.015 1.00 10.00 C ATOM 137 CD2 TRP A 9 -11.699 -0.588 3.962 1.00 10.00 C ATOM 138 NE1 TRP A 9 -11.709 -2.761 4.364 1.00 10.00 N ATOM 139 CE2 TRP A 9 -11.533 -1.544 4.991 1.00 10.00 C ATOM 140 CE3 TRP A 9 -11.576 0.773 4.295 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -11.254 -1.164 6.304 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -11.294 1.159 5.615 1.00 10.00 C ATOM 143 CH2 TRP A 9 -11.133 0.193 6.618 1.00 10.00 C ATOM 0 H TRP A 9 -12.517 1.021 -0.271 1.00 10.00 H new ATOM 0 HA TRP A 9 -10.524 0.595 1.743 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -13.106 -0.075 1.374 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.432 -1.519 0.645 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -12.148 -3.413 2.315 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -11.651 -3.662 4.838 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -11.699 1.526 3.530 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -11.132 -1.913 7.073 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -11.201 2.207 5.859 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -10.916 0.496 7.631 1.00 10.00 H new ATOM 154 N ASP A 10 -10.216 -1.424 -0.846 1.00 10.00 N ATOM 155 CA ASP A 10 -9.216 -2.333 -1.492 1.00 10.00 C ATOM 156 C ASP A 10 -7.934 -1.552 -1.811 1.00 10.00 C ATOM 157 O ASP A 10 -6.837 -2.047 -1.631 1.00 10.00 O ATOM 158 CB ASP A 10 -9.884 -2.826 -2.780 1.00 10.00 C ATOM 159 CG ASP A 10 -9.101 -4.019 -3.333 1.00 10.00 C ATOM 160 OD1 ASP A 10 -9.323 -5.121 -2.858 1.00 10.00 O ATOM 161 OD2 ASP A 10 -8.293 -3.810 -4.223 1.00 10.00 O ATOM 0 H ASP A 10 -11.087 -1.301 -1.362 1.00 10.00 H new ATOM 0 HA ASP A 10 -8.935 -3.165 -0.846 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -10.916 -3.115 -2.580 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -9.915 -2.024 -3.517 1.00 10.00 H new ATOM 166 N TRP A 11 -8.070 -0.327 -2.266 1.00 10.00 N ATOM 167 CA TRP A 11 -6.864 0.502 -2.579 1.00 10.00 C ATOM 168 C TRP A 11 -6.065 0.762 -1.296 1.00 10.00 C ATOM 169 O TRP A 11 -4.849 0.702 -1.293 1.00 10.00 O ATOM 170 CB TRP A 11 -7.420 1.810 -3.158 1.00 10.00 C ATOM 171 CG TRP A 11 -6.314 2.805 -3.329 1.00 10.00 C ATOM 172 CD1 TRP A 11 -5.480 2.866 -4.391 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.910 3.878 -2.428 1.00 10.00 C ATOM 174 NE1 TRP A 11 -4.591 3.908 -4.202 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.816 4.562 -3.006 1.00 10.00 C ATOM 176 CE3 TRP A 11 -6.383 4.320 -1.180 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -4.210 5.646 -2.368 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -5.777 5.409 -0.535 1.00 10.00 C ATOM 179 CH2 TRP A 11 -4.693 6.071 -1.128 1.00 10.00 C ATOM 0 H TRP A 11 -8.965 0.133 -2.433 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.187 0.012 -3.279 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -7.899 1.618 -4.118 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.185 2.215 -2.495 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -5.504 2.208 -5.247 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -3.859 4.163 -4.865 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -7.218 3.818 -0.715 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -3.375 6.152 -2.829 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -6.148 5.739 0.424 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -4.232 6.909 -0.627 1.00 10.00 H new ATOM 190 N ILE A 12 -6.740 1.033 -0.201 1.00 10.00 N ATOM 191 CA ILE A 12 -6.019 1.277 1.089 1.00 10.00 C ATOM 192 C ILE A 12 -5.206 0.027 1.465 1.00 10.00 C ATOM 193 O ILE A 12 -4.102 0.121 1.969 1.00 10.00 O ATOM 194 CB ILE A 12 -7.120 1.551 2.126 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.705 2.950 1.893 1.00 10.00 C ATOM 196 CG2 ILE A 12 -6.537 1.478 3.542 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.966 3.131 2.743 1.00 10.00 C ATOM 0 H ILE A 12 -7.757 1.095 -0.147 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.320 2.111 1.028 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.903 0.800 2.020 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.968 3.710 2.152 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.944 3.084 0.838 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.324 1.673 4.270 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -6.122 0.485 3.714 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.749 2.224 3.650 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -9.378 4.126 2.575 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.704 2.380 2.463 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.714 3.016 3.797 1.00 10.00 H new ATOM 209 N CYS A 13 -5.745 -1.142 1.205 1.00 10.00 N ATOM 210 CA CYS A 13 -5.011 -2.404 1.526 1.00 10.00 C ATOM 211 C CYS A 13 -3.821 -2.583 0.573 1.00 10.00 C ATOM 212 O CYS A 13 -2.776 -3.074 0.959 1.00 10.00 O ATOM 213 CB CYS A 13 -6.036 -3.524 1.325 1.00 10.00 C ATOM 214 SG CYS A 13 -5.463 -5.025 2.160 1.00 10.00 S ATOM 0 H CYS A 13 -6.664 -1.274 0.783 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.608 -2.400 2.539 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -7.004 -3.221 1.723 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.175 -3.717 0.261 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.334 -5.975 1.991 1.00 10.00 H new ATOM 220 N GLU A 14 -3.969 -2.181 -0.671 1.00 10.00 N ATOM 221 CA GLU A 14 -2.846 -2.321 -1.648 1.00 10.00 C ATOM 222 C GLU A 14 -1.705 -1.364 -1.286 1.00 10.00 C ATOM 223 O GLU A 14 -0.544 -1.731 -1.308 1.00 10.00 O ATOM 224 CB GLU A 14 -3.449 -1.960 -3.011 1.00 10.00 C ATOM 225 CG GLU A 14 -3.273 -3.136 -3.977 1.00 10.00 C ATOM 226 CD GLU A 14 -4.369 -3.091 -5.046 1.00 10.00 C ATOM 227 OE1 GLU A 14 -4.278 -2.250 -5.925 1.00 10.00 O ATOM 228 OE2 GLU A 14 -5.279 -3.899 -4.968 1.00 10.00 O ATOM 0 H GLU A 14 -4.820 -1.763 -1.048 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.424 -3.326 -1.649 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -4.507 -1.722 -2.901 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -2.962 -1.071 -3.412 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -2.291 -3.090 -4.447 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -3.322 -4.078 -3.431 1.00 10.00 H new ATOM 235 N VAL A 15 -2.032 -0.143 -0.940 1.00 10.00 N ATOM 236 CA VAL A 15 -0.973 0.847 -0.560 1.00 10.00 C ATOM 237 C VAL A 15 -0.238 0.370 0.701 1.00 10.00 C ATOM 238 O VAL A 15 0.961 0.532 0.824 1.00 10.00 O ATOM 239 CB VAL A 15 -1.711 2.165 -0.295 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.715 3.224 0.190 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.377 2.652 -1.587 1.00 10.00 C ATOM 0 H VAL A 15 -2.987 0.212 -0.904 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.223 0.965 -1.343 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.472 2.002 0.468 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -1.242 4.160 0.378 1.00 10.00 H new ATOM 0 HG12 VAL A 15 -0.241 2.883 1.111 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.047 3.383 -0.573 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.901 3.589 -1.396 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.616 2.811 -2.351 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.089 1.903 -1.934 1.00 10.00 H new ATOM 251 N LEU A 16 -0.948 -0.226 1.632 1.00 10.00 N ATOM 252 CA LEU A 16 -0.290 -0.729 2.878 1.00 10.00 C ATOM 253 C LEU A 16 0.747 -1.797 2.510 1.00 10.00 C ATOM 254 O LEU A 16 1.888 -1.738 2.928 1.00 10.00 O ATOM 255 CB LEU A 16 -1.419 -1.333 3.719 1.00 10.00 C ATOM 256 CG LEU A 16 -0.871 -1.783 5.078 1.00 10.00 C ATOM 257 CD1 LEU A 16 -1.899 -1.485 6.171 1.00 10.00 C ATOM 258 CD2 LEU A 16 -0.589 -3.288 5.044 1.00 10.00 C ATOM 0 H LEU A 16 -1.954 -0.385 1.581 1.00 10.00 H new ATOM 0 HA LEU A 16 0.232 0.057 3.424 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.212 -0.598 3.861 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.861 -2.181 3.196 1.00 10.00 H new ATOM 0 HG LEU A 16 0.052 -1.243 5.290 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.507 -1.806 7.136 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -2.100 -0.414 6.199 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.823 -2.022 5.958 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -0.199 -3.607 6.011 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -1.512 -3.826 4.829 1.00 10.00 H new ATOM 0 HD23 LEU A 16 0.145 -3.503 4.268 1.00 10.00 H new ATOM 270 N SER A 17 0.358 -2.758 1.706 1.00 10.00 N ATOM 271 CA SER A 17 1.319 -3.821 1.279 1.00 10.00 C ATOM 272 C SER A 17 2.421 -3.192 0.419 1.00 10.00 C ATOM 273 O SER A 17 3.579 -3.556 0.512 1.00 10.00 O ATOM 274 CB SER A 17 0.492 -4.813 0.460 1.00 10.00 C ATOM 275 OG SER A 17 -0.360 -5.545 1.332 1.00 10.00 O ATOM 0 H SER A 17 -0.585 -2.851 1.327 1.00 10.00 H new ATOM 0 HA SER A 17 1.802 -4.313 2.123 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.100 -4.282 -0.285 1.00 10.00 H new ATOM 0 HB3 SER A 17 1.150 -5.493 -0.081 1.00 10.00 H new ATOM 0 HG SER A 17 -0.893 -6.181 0.811 1.00 10.00 H new ATOM 281 N ASP A 18 2.062 -2.236 -0.406 1.00 10.00 N ATOM 282 CA ASP A 18 3.079 -1.559 -1.262 1.00 10.00 C ATOM 283 C ASP A 18 4.062 -0.789 -0.379 1.00 10.00 C ATOM 284 O ASP A 18 5.246 -0.801 -0.623 1.00 10.00 O ATOM 285 CB ASP A 18 2.292 -0.594 -2.153 1.00 10.00 C ATOM 286 CG ASP A 18 3.262 0.205 -3.029 1.00 10.00 C ATOM 287 OD1 ASP A 18 3.788 1.197 -2.548 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.462 -0.189 -4.165 1.00 10.00 O ATOM 0 H ASP A 18 1.107 -1.898 -0.521 1.00 10.00 H new ATOM 0 HA ASP A 18 3.656 -2.268 -1.856 1.00 10.00 H new ATOM 0 HB2 ASP A 18 1.594 -1.149 -2.779 1.00 10.00 H new ATOM 0 HB3 ASP A 18 1.699 0.083 -1.538 1.00 10.00 H new ATOM 293 N PHE A 19 3.576 -0.129 0.648 1.00 10.00 N ATOM 294 CA PHE A 19 4.489 0.637 1.556 1.00 10.00 C ATOM 295 C PHE A 19 5.639 -0.263 2.019 1.00 10.00 C ATOM 296 O PHE A 19 6.789 0.137 2.017 1.00 10.00 O ATOM 297 CB PHE A 19 3.621 1.054 2.748 1.00 10.00 C ATOM 298 CG PHE A 19 3.833 2.521 3.041 1.00 10.00 C ATOM 299 CD1 PHE A 19 5.084 2.975 3.481 1.00 10.00 C ATOM 300 CD2 PHE A 19 2.780 3.428 2.872 1.00 10.00 C ATOM 301 CE1 PHE A 19 5.280 4.334 3.753 1.00 10.00 C ATOM 302 CE2 PHE A 19 2.977 4.788 3.144 1.00 10.00 C ATOM 303 CZ PHE A 19 4.226 5.240 3.584 1.00 10.00 C ATOM 0 H PHE A 19 2.587 -0.088 0.896 1.00 10.00 H new ATOM 0 HA PHE A 19 4.933 1.500 1.061 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.570 0.865 2.529 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.877 0.457 3.624 1.00 10.00 H new ATOM 0 HD1 PHE A 19 5.897 2.276 3.610 1.00 10.00 H new ATOM 0 HD2 PHE A 19 1.816 3.079 2.532 1.00 10.00 H new ATOM 0 HE1 PHE A 19 6.244 4.683 4.093 1.00 10.00 H new ATOM 0 HE2 PHE A 19 2.165 5.488 3.014 1.00 10.00 H new ATOM 0 HZ PHE A 19 4.377 6.289 3.793 1.00 10.00 H new ATOM 313 N LYS A 20 5.333 -1.481 2.397 1.00 10.00 N ATOM 314 CA LYS A 20 6.404 -2.425 2.845 1.00 10.00 C ATOM 315 C LYS A 20 7.352 -2.731 1.676 1.00 10.00 C ATOM 316 O LYS A 20 8.556 -2.782 1.840 1.00 10.00 O ATOM 317 CB LYS A 20 5.663 -3.692 3.289 1.00 10.00 C ATOM 318 CG LYS A 20 6.663 -4.703 3.863 1.00 10.00 C ATOM 319 CD LYS A 20 6.783 -5.904 2.919 1.00 10.00 C ATOM 320 CE LYS A 20 6.352 -7.182 3.652 1.00 10.00 C ATOM 321 NZ LYS A 20 7.607 -7.741 4.234 1.00 10.00 N ATOM 0 H LYS A 20 4.387 -1.862 2.414 1.00 10.00 H new ATOM 0 HA LYS A 20 7.012 -2.013 3.650 1.00 10.00 H new ATOM 0 HB2 LYS A 20 4.913 -3.442 4.039 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.134 -4.130 2.443 1.00 10.00 H new ATOM 0 HG2 LYS A 20 7.637 -4.232 3.993 1.00 10.00 H new ATOM 0 HG3 LYS A 20 6.335 -5.034 4.848 1.00 10.00 H new ATOM 0 HD2 LYS A 20 6.160 -5.750 2.038 1.00 10.00 H new ATOM 0 HD3 LYS A 20 7.811 -6.003 2.569 1.00 10.00 H new ATOM 0 HE2 LYS A 20 5.621 -6.962 4.430 1.00 10.00 H new ATOM 0 HE3 LYS A 20 5.886 -7.890 2.967 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 7.390 -8.617 4.751 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 8.282 -7.948 3.470 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 8.025 -7.048 4.887 1.00 10.00 H new ATOM 335 N THR A 21 6.814 -2.927 0.495 1.00 10.00 N ATOM 336 CA THR A 21 7.677 -3.223 -0.693 1.00 10.00 C ATOM 337 C THR A 21 8.389 -1.946 -1.158 1.00 10.00 C ATOM 338 O THR A 21 9.530 -1.986 -1.574 1.00 10.00 O ATOM 339 CB THR A 21 6.715 -3.730 -1.773 1.00 10.00 C ATOM 340 OG1 THR A 21 5.914 -4.778 -1.239 1.00 10.00 O ATOM 341 CG2 THR A 21 7.507 -4.257 -2.972 1.00 10.00 C ATOM 0 H THR A 21 5.813 -2.895 0.303 1.00 10.00 H new ATOM 0 HA THR A 21 8.452 -3.956 -0.468 1.00 10.00 H new ATOM 0 HB THR A 21 6.077 -2.908 -2.098 1.00 10.00 H new ATOM 0 HG1 THR A 21 5.131 -4.395 -0.790 1.00 10.00 H new ATOM 0 HG21 THR A 21 6.816 -4.616 -3.735 1.00 10.00 H new ATOM 0 HG22 THR A 21 8.119 -3.455 -3.385 1.00 10.00 H new ATOM 0 HG23 THR A 21 8.150 -5.076 -2.651 1.00 10.00 H new ATOM 349 N TRP A 22 7.724 -0.817 -1.084 1.00 10.00 N ATOM 350 CA TRP A 22 8.354 0.472 -1.509 1.00 10.00 C ATOM 351 C TRP A 22 9.669 0.677 -0.755 1.00 10.00 C ATOM 352 O TRP A 22 10.694 0.955 -1.344 1.00 10.00 O ATOM 353 CB TRP A 22 7.346 1.558 -1.123 1.00 10.00 C ATOM 354 CG TRP A 22 7.553 2.762 -1.983 1.00 10.00 C ATOM 355 CD1 TRP A 22 6.773 3.112 -3.033 1.00 10.00 C ATOM 356 CD2 TRP A 22 8.590 3.781 -1.885 1.00 10.00 C ATOM 357 NE1 TRP A 22 7.268 4.279 -3.586 1.00 10.00 N ATOM 358 CE2 TRP A 22 8.387 4.731 -2.914 1.00 10.00 C ATOM 359 CE3 TRP A 22 9.677 3.971 -1.013 1.00 10.00 C ATOM 360 CZ2 TRP A 22 9.232 5.830 -3.071 1.00 10.00 C ATOM 361 CZ3 TRP A 22 10.530 5.075 -1.167 1.00 10.00 C ATOM 362 CH2 TRP A 22 10.308 6.003 -2.195 1.00 10.00 C ATOM 0 H TRP A 22 6.766 -0.734 -0.745 1.00 10.00 H new ATOM 0 HA TRP A 22 8.582 0.491 -2.575 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.329 1.184 -1.242 1.00 10.00 H new ATOM 0 HB3 TRP A 22 7.467 1.824 -0.073 1.00 10.00 H new ATOM 0 HD1 TRP A 22 5.907 2.569 -3.381 1.00 10.00 H new ATOM 0 HE1 TRP A 22 6.857 4.749 -4.392 1.00 10.00 H new ATOM 0 HE3 TRP A 22 9.857 3.262 -0.219 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 9.056 6.542 -3.864 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 11.361 5.211 -0.491 1.00 10.00 H new ATOM 0 HH2 TRP A 22 10.968 6.850 -2.310 1.00 10.00 H new ATOM 373 N LEU A 23 9.637 0.531 0.546 1.00 10.00 N ATOM 374 CA LEU A 23 10.882 0.703 1.359 1.00 10.00 C ATOM 375 C LEU A 23 11.869 -0.435 1.063 1.00 10.00 C ATOM 376 O LEU A 23 13.065 -0.223 1.004 1.00 10.00 O ATOM 377 CB LEU A 23 10.424 0.658 2.821 1.00 10.00 C ATOM 378 CG LEU A 23 10.298 2.085 3.363 1.00 10.00 C ATOM 379 CD1 LEU A 23 8.884 2.609 3.106 1.00 10.00 C ATOM 380 CD2 LEU A 23 10.575 2.086 4.868 1.00 10.00 C ATOM 0 H LEU A 23 8.801 0.300 1.082 1.00 10.00 H new ATOM 0 HA LEU A 23 11.396 1.636 1.129 1.00 10.00 H new ATOM 0 HB2 LEU A 23 9.466 0.143 2.897 1.00 10.00 H new ATOM 0 HB3 LEU A 23 11.138 0.092 3.419 1.00 10.00 H new ATOM 0 HG LEU A 23 11.020 2.728 2.859 1.00 10.00 H new ATOM 0 HD11 LEU A 23 8.796 3.624 3.492 1.00 10.00 H new ATOM 0 HD12 LEU A 23 8.686 2.610 2.034 1.00 10.00 H new ATOM 0 HD13 LEU A 23 8.161 1.966 3.608 1.00 10.00 H new ATOM 0 HD21 LEU A 23 10.485 3.102 5.254 1.00 10.00 H new ATOM 0 HD22 LEU A 23 9.854 1.442 5.371 1.00 10.00 H new ATOM 0 HD23 LEU A 23 11.583 1.715 5.053 1.00 10.00 H new ATOM 392 N LYS A 24 11.376 -1.636 0.863 1.00 10.00 N ATOM 393 CA LYS A 24 12.285 -2.784 0.555 1.00 10.00 C ATOM 394 C LYS A 24 12.968 -2.559 -0.801 1.00 10.00 C ATOM 395 O LYS A 24 14.155 -2.786 -0.954 1.00 10.00 O ATOM 396 CB LYS A 24 11.376 -4.014 0.506 1.00 10.00 C ATOM 397 CG LYS A 24 12.228 -5.286 0.465 1.00 10.00 C ATOM 398 CD LYS A 24 11.647 -6.322 1.431 1.00 10.00 C ATOM 399 CE LYS A 24 12.224 -7.706 1.110 1.00 10.00 C ATOM 400 NZ LYS A 24 11.235 -8.338 0.188 1.00 10.00 N ATOM 0 H LYS A 24 10.384 -1.869 0.900 1.00 10.00 H new ATOM 0 HA LYS A 24 13.076 -2.899 1.297 1.00 10.00 H new ATOM 0 HB2 LYS A 24 10.723 -4.030 1.379 1.00 10.00 H new ATOM 0 HB3 LYS A 24 10.733 -3.968 -0.373 1.00 10.00 H new ATOM 0 HG2 LYS A 24 12.250 -5.689 -0.547 1.00 10.00 H new ATOM 0 HG3 LYS A 24 13.258 -5.056 0.738 1.00 10.00 H new ATOM 0 HD2 LYS A 24 11.883 -6.048 2.459 1.00 10.00 H new ATOM 0 HD3 LYS A 24 10.560 -6.342 1.348 1.00 10.00 H new ATOM 0 HE2 LYS A 24 13.204 -7.625 0.640 1.00 10.00 H new ATOM 0 HE3 LYS A 24 12.353 -8.299 2.016 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 11.564 -9.289 -0.075 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 10.313 -8.409 0.664 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 11.138 -7.756 -0.669 1.00 10.00 H new ATOM 414 N ALA A 25 12.226 -2.098 -1.781 1.00 10.00 N ATOM 415 CA ALA A 25 12.825 -1.840 -3.129 1.00 10.00 C ATOM 416 C ALA A 25 13.659 -0.545 -3.119 1.00 10.00 C ATOM 417 O ALA A 25 14.373 -0.259 -4.062 1.00 10.00 O ATOM 418 CB ALA A 25 11.630 -1.698 -4.075 1.00 10.00 C ATOM 0 H ALA A 25 11.230 -1.889 -1.705 1.00 10.00 H new ATOM 0 HA ALA A 25 13.498 -2.642 -3.433 1.00 10.00 H new ATOM 0 HB1 ALA A 25 11.988 -1.507 -5.087 1.00 10.00 H new ATOM 0 HB2 ALA A 25 11.046 -2.618 -4.065 1.00 10.00 H new ATOM 0 HB3 ALA A 25 11.004 -0.868 -3.748 1.00 10.00 H new ATOM 424 N LYS A 26 13.575 0.240 -2.069 1.00 10.00 N ATOM 425 CA LYS A 26 14.363 1.508 -2.010 1.00 10.00 C ATOM 426 C LYS A 26 15.632 1.308 -1.169 1.00 10.00 C ATOM 427 O LYS A 26 16.726 1.605 -1.610 1.00 10.00 O ATOM 428 CB LYS A 26 13.428 2.526 -1.350 1.00 10.00 C ATOM 429 CG LYS A 26 14.020 3.931 -1.488 1.00 10.00 C ATOM 430 CD LYS A 26 13.992 4.356 -2.958 1.00 10.00 C ATOM 431 CE LYS A 26 13.785 5.871 -3.053 1.00 10.00 C ATOM 432 NZ LYS A 26 13.309 6.111 -4.446 1.00 10.00 N ATOM 0 H LYS A 26 12.994 0.055 -1.252 1.00 10.00 H new ATOM 0 HA LYS A 26 14.690 1.838 -2.996 1.00 10.00 H new ATOM 0 HB2 LYS A 26 12.444 2.487 -1.817 1.00 10.00 H new ATOM 0 HB3 LYS A 26 13.291 2.280 -0.297 1.00 10.00 H new ATOM 0 HG2 LYS A 26 13.451 4.638 -0.884 1.00 10.00 H new ATOM 0 HG3 LYS A 26 15.044 3.944 -1.114 1.00 10.00 H new ATOM 0 HD2 LYS A 26 14.926 4.075 -3.446 1.00 10.00 H new ATOM 0 HD3 LYS A 26 13.190 3.836 -3.482 1.00 10.00 H new ATOM 0 HE2 LYS A 26 13.054 6.216 -2.322 1.00 10.00 H new ATOM 0 HE3 LYS A 26 14.712 6.409 -2.855 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 13.145 7.128 -4.586 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 14.028 5.780 -5.120 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 12.421 5.593 -4.604 1.00 10.00 H new ATOM 446 N LEU A 27 15.494 0.811 0.035 1.00 10.00 N ATOM 447 CA LEU A 27 16.691 0.593 0.904 1.00 10.00 C ATOM 448 C LEU A 27 16.755 -0.868 1.365 1.00 10.00 C ATOM 449 O LEU A 27 15.785 -1.420 1.848 1.00 10.00 O ATOM 450 CB LEU A 27 16.490 1.530 2.101 1.00 10.00 C ATOM 451 CG LEU A 27 17.842 2.069 2.596 1.00 10.00 C ATOM 452 CD1 LEU A 27 18.678 0.924 3.176 1.00 10.00 C ATOM 453 CD2 LEU A 27 18.604 2.717 1.433 1.00 10.00 C ATOM 0 H LEU A 27 14.602 0.546 0.454 1.00 10.00 H new ATOM 0 HA LEU A 27 17.624 0.798 0.380 1.00 10.00 H new ATOM 0 HB2 LEU A 27 15.843 2.360 1.816 1.00 10.00 H new ATOM 0 HB3 LEU A 27 15.987 0.996 2.908 1.00 10.00 H new ATOM 0 HG LEU A 27 17.662 2.815 3.370 1.00 10.00 H new ATOM 0 HD11 LEU A 27 19.635 1.313 3.525 1.00 10.00 H new ATOM 0 HD12 LEU A 27 18.144 0.471 4.011 1.00 10.00 H new ATOM 0 HD13 LEU A 27 18.851 0.173 2.405 1.00 10.00 H new ATOM 0 HD21 LEU A 27 19.561 3.097 1.791 1.00 10.00 H new ATOM 0 HD22 LEU A 27 18.777 1.975 0.653 1.00 10.00 H new ATOM 0 HD23 LEU A 27 18.016 3.540 1.027 1.00 10.00 H new ATOM 465 N MET A 28 17.901 -1.489 1.224 1.00 10.00 N ATOM 466 CA MET A 28 18.051 -2.915 1.655 1.00 10.00 C ATOM 467 C MET A 28 19.543 -3.281 1.824 1.00 10.00 C ATOM 468 O MET A 28 19.956 -3.620 2.917 1.00 10.00 O ATOM 469 CB MET A 28 17.376 -3.749 0.553 1.00 10.00 C ATOM 470 CG MET A 28 17.747 -5.228 0.713 1.00 10.00 C ATOM 471 SD MET A 28 16.385 -6.261 0.117 1.00 10.00 S ATOM 472 CE MET A 28 17.382 -7.428 -0.841 1.00 10.00 C ATOM 0 H MET A 28 18.742 -1.069 0.828 1.00 10.00 H new ATOM 0 HA MET A 28 17.589 -3.103 2.624 1.00 10.00 H new ATOM 0 HB2 MET A 28 16.294 -3.629 0.606 1.00 10.00 H new ATOM 0 HB3 MET A 28 17.688 -3.391 -0.428 1.00 10.00 H new ATOM 0 HG2 MET A 28 18.656 -5.448 0.154 1.00 10.00 H new ATOM 0 HG3 MET A 28 17.955 -5.450 1.760 1.00 10.00 H new ATOM 0 HE1 MET A 28 16.730 -8.168 -1.305 1.00 10.00 H new ATOM 0 HE2 MET A 28 17.928 -6.890 -1.616 1.00 10.00 H new ATOM 0 HE3 MET A 28 18.089 -7.930 -0.181 1.00 10.00 H new ATOM 482 N PRO A 29 20.314 -3.207 0.751 1.00 10.00 N ATOM 483 CA PRO A 29 21.763 -3.541 0.840 1.00 10.00 C ATOM 484 C PRO A 29 22.543 -2.429 1.557 1.00 10.00 C ATOM 485 O PRO A 29 21.972 -1.470 2.041 1.00 10.00 O ATOM 486 CB PRO A 29 22.199 -3.648 -0.618 1.00 10.00 C ATOM 487 CG PRO A 29 21.230 -2.802 -1.378 1.00 10.00 C ATOM 488 CD PRO A 29 19.929 -2.820 -0.617 1.00 10.00 C ATOM 0 HA PRO A 29 21.949 -4.452 1.409 1.00 10.00 H new ATOM 0 HB2 PRO A 29 23.221 -3.293 -0.751 1.00 10.00 H new ATOM 0 HB3 PRO A 29 22.174 -4.682 -0.962 1.00 10.00 H new ATOM 0 HG2 PRO A 29 21.604 -1.783 -1.476 1.00 10.00 H new ATOM 0 HG3 PRO A 29 21.091 -3.189 -2.387 1.00 10.00 H new ATOM 0 HD2 PRO A 29 19.445 -1.843 -0.633 1.00 10.00 H new ATOM 0 HD3 PRO A 29 19.225 -3.532 -1.049 1.00 10.00 H new ATOM 496 N GLN A 30 23.851 -2.559 1.614 1.00 10.00 N ATOM 497 CA GLN A 30 24.707 -1.524 2.287 1.00 10.00 C ATOM 498 C GLN A 30 24.277 -1.322 3.751 1.00 10.00 C ATOM 499 O GLN A 30 23.518 -2.100 4.300 1.00 10.00 O ATOM 500 CB GLN A 30 24.504 -0.237 1.471 1.00 10.00 C ATOM 501 CG GLN A 30 25.521 -0.186 0.327 1.00 10.00 C ATOM 502 CD GLN A 30 24.937 -0.871 -0.913 1.00 10.00 C ATOM 503 OE1 GLN A 30 25.093 -2.062 -1.091 1.00 10.00 O ATOM 504 NE2 GLN A 30 24.268 -0.165 -1.783 1.00 10.00 N ATOM 0 H GLN A 30 24.367 -3.346 1.219 1.00 10.00 H new ATOM 0 HA GLN A 30 25.755 -1.822 2.316 1.00 10.00 H new ATOM 0 HB2 GLN A 30 23.490 -0.204 1.071 1.00 10.00 H new ATOM 0 HB3 GLN A 30 24.621 0.635 2.114 1.00 10.00 H new ATOM 0 HG2 GLN A 30 25.773 0.849 0.098 1.00 10.00 H new ATOM 0 HG3 GLN A 30 26.445 -0.681 0.626 1.00 10.00 H new ATOM 0 HE21 GLN A 30 24.136 0.836 -1.635 1.00 10.00 H new ATOM 0 HE22 GLN A 30 23.877 -0.614 -2.611 1.00 10.00 H new ATOM 513 N LEU A 31 24.765 -0.283 4.387 1.00 10.00 N ATOM 514 CA LEU A 31 24.390 -0.025 5.812 1.00 10.00 C ATOM 515 C LEU A 31 23.444 1.177 5.903 1.00 10.00 C ATOM 516 O LEU A 31 22.449 1.070 6.600 1.00 10.00 O ATOM 517 CB LEU A 31 25.713 0.275 6.525 1.00 10.00 C ATOM 518 CG LEU A 31 26.429 -1.039 6.853 1.00 10.00 C ATOM 519 CD1 LEU A 31 27.942 -0.842 6.728 1.00 10.00 C ATOM 520 CD2 LEU A 31 26.088 -1.462 8.285 1.00 10.00 C ATOM 521 OXT LEU A 31 23.728 2.184 5.272 1.00 10.00 O ATOM 0 H LEU A 31 25.407 0.397 3.980 1.00 10.00 H new ATOM 0 HA LEU A 31 23.870 -0.871 6.260 1.00 10.00 H new ATOM 0 HB2 LEU A 31 26.346 0.898 5.892 1.00 10.00 H new ATOM 0 HB3 LEU A 31 25.525 0.837 7.440 1.00 10.00 H new ATOM 0 HG LEU A 31 26.104 -1.812 6.157 1.00 10.00 H new ATOM 0 HD11 LEU A 31 28.451 -1.777 6.961 1.00 10.00 H new ATOM 0 HD12 LEU A 31 28.187 -0.540 5.710 1.00 10.00 H new ATOM 0 HD13 LEU A 31 28.267 -0.068 7.424 1.00 10.00 H new ATOM 0 HD21 LEU A 31 26.597 -2.397 8.519 1.00 10.00 H new ATOM 0 HD22 LEU A 31 26.413 -0.688 8.980 1.00 10.00 H new ATOM 0 HD23 LEU A 31 25.011 -1.603 8.376 1.00 10.00 H new TER 533 LEU A 31