USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 276 hydrogens (11 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 NoAdj-H: A 18 ACAHN62 : A 18 ACA N6 : A 17 LYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 34:sc= 0.962 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00538) USER MOD Single : A 19 LYS NZ :NH3+ -148:sc= -0.081 (180deg=-0.441) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc=-0.00383 X(o=-0.0038,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.55! C(o=-1.6!,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.702 -5.068 5.066 1.00 42.23 N ATOM 2 CA GLY A 1 -22.946 -3.985 5.674 1.00 62.30 C ATOM 3 C GLY A 1 -22.500 -2.969 4.622 1.00 13.35 C ATOM 4 O GLY A 1 -23.060 -1.878 4.531 1.00 4.43 O ATOM 0 H1 GLY A 1 -23.993 -5.744 5.801 1.00 42.23 H new ATOM 0 H2 GLY A 1 -24.546 -4.682 4.597 1.00 42.23 H new ATOM 0 H3 GLY A 1 -23.108 -5.554 4.364 1.00 42.23 H new ATOM 0 HA2 GLY A 1 -23.557 -3.489 6.428 1.00 62.30 H new ATOM 0 HA3 GLY A 1 -22.073 -4.389 6.187 1.00 62.30 H new ATOM 8 N ILE A 2 -21.496 -3.364 3.853 1.00 12.34 N ATOM 9 CA ILE A 2 -20.969 -2.500 2.810 1.00 54.03 C ATOM 10 C ILE A 2 -20.470 -3.360 1.646 1.00 55.32 C ATOM 11 O ILE A 2 -19.866 -4.411 1.859 1.00 1.45 O ATOM 12 CB ILE A 2 -19.904 -1.560 3.379 1.00 63.21 C ATOM 13 CG1 ILE A 2 -19.554 -1.938 4.820 1.00 61.11 C ATOM 14 CG2 ILE A 2 -20.343 -0.100 3.260 1.00 43.20 C ATOM 15 CD1 ILE A 2 -18.273 -1.237 5.275 1.00 41.24 C ATOM 0 H ILE A 2 -21.034 -4.270 3.931 1.00 12.34 H new ATOM 0 HA ILE A 2 -21.755 -1.854 2.418 1.00 54.03 H new ATOM 0 HB ILE A 2 -18.996 -1.672 2.787 1.00 63.21 H new ATOM 0 HG12 ILE A 2 -20.376 -1.665 5.481 1.00 61.11 H new ATOM 0 HG13 ILE A 2 -19.428 -3.018 4.896 1.00 61.11 H new ATOM 0 HG21 ILE A 2 -19.569 0.547 3.671 1.00 43.20 H new ATOM 0 HG22 ILE A 2 -20.503 0.147 2.211 1.00 43.20 H new ATOM 0 HG23 ILE A 2 -21.271 0.047 3.813 1.00 43.20 H new ATOM 0 HD11 ILE A 2 -18.047 -1.523 6.302 1.00 41.24 H new ATOM 0 HD12 ILE A 2 -17.448 -1.531 4.627 1.00 41.24 H new ATOM 0 HD13 ILE A 2 -18.410 -0.157 5.221 1.00 41.24 H new ATOM 27 N GLY A 3 -20.741 -2.882 0.441 1.00 73.51 N ATOM 28 CA GLY A 3 -20.328 -3.593 -0.757 1.00 33.42 C ATOM 29 C GLY A 3 -20.595 -2.758 -2.011 1.00 30.55 C ATOM 30 O GLY A 3 -19.661 -2.328 -2.685 1.00 1.11 O ATOM 0 H GLY A 3 -21.242 -2.010 0.268 1.00 73.51 H new ATOM 0 HA2 GLY A 3 -19.266 -3.832 -0.694 1.00 33.42 H new ATOM 0 HA3 GLY A 3 -20.864 -4.540 -0.825 1.00 33.42 H new ATOM 34 N ALA A 4 -21.876 -2.555 -2.286 1.00 61.23 N ATOM 35 CA ALA A 4 -22.278 -1.778 -3.447 1.00 62.55 C ATOM 36 C ALA A 4 -21.752 -0.349 -3.306 1.00 62.32 C ATOM 37 O ALA A 4 -21.104 0.170 -4.213 1.00 53.13 O ATOM 38 CB ALA A 4 -23.800 -1.829 -3.592 1.00 24.23 C ATOM 0 H ALA A 4 -22.648 -2.915 -1.725 1.00 61.23 H new ATOM 0 HA ALA A 4 -21.850 -2.197 -4.357 1.00 62.55 H new ATOM 0 HB1 ALA A 4 -24.102 -1.247 -4.462 1.00 24.23 H new ATOM 0 HB2 ALA A 4 -24.119 -2.864 -3.719 1.00 24.23 H new ATOM 0 HB3 ALA A 4 -24.265 -1.413 -2.698 1.00 24.23 H new ATOM 44 N PHE A 5 -22.052 0.247 -2.161 1.00 3.42 N ATOM 45 CA PHE A 5 -21.619 1.607 -1.890 1.00 52.53 C ATOM 46 C PHE A 5 -20.234 1.622 -1.239 1.00 42.13 C ATOM 47 O PHE A 5 -19.676 2.687 -0.982 1.00 54.24 O ATOM 48 CB PHE A 5 -22.632 2.216 -0.919 1.00 62.10 C ATOM 49 CG PHE A 5 -24.090 2.025 -1.342 1.00 34.43 C ATOM 50 CD1 PHE A 5 -24.547 2.602 -2.486 1.00 22.03 C ATOM 51 CD2 PHE A 5 -24.929 1.279 -0.575 1.00 14.01 C ATOM 52 CE1 PHE A 5 -25.901 2.426 -2.879 1.00 41.42 C ATOM 53 CE2 PHE A 5 -26.283 1.102 -0.968 1.00 45.54 C ATOM 54 CZ PHE A 5 -26.739 1.680 -2.111 1.00 61.24 C ATOM 0 H PHE A 5 -22.590 -0.187 -1.411 1.00 3.42 H new ATOM 0 HA PHE A 5 -21.560 2.170 -2.821 1.00 52.53 H new ATOM 0 HB2 PHE A 5 -22.489 1.772 0.066 1.00 62.10 H new ATOM 0 HB3 PHE A 5 -22.430 3.282 -0.820 1.00 62.10 H new ATOM 0 HD1 PHE A 5 -23.880 3.194 -3.096 1.00 22.03 H new ATOM 0 HD2 PHE A 5 -24.566 0.821 0.333 1.00 14.01 H new ATOM 0 HE1 PHE A 5 -26.264 2.884 -3.787 1.00 41.42 H new ATOM 0 HE2 PHE A 5 -26.949 0.509 -0.359 1.00 45.54 H new ATOM 0 HZ PHE A 5 -27.768 1.546 -2.409 1.00 61.24 H new ATOM 64 N GLY A 6 -19.720 0.426 -0.989 1.00 22.23 N ATOM 65 CA GLY A 6 -18.412 0.288 -0.372 1.00 71.42 C ATOM 66 C GLY A 6 -17.319 0.134 -1.432 1.00 21.30 C ATOM 67 O GLY A 6 -16.227 -0.349 -1.137 1.00 44.50 O ATOM 0 H GLY A 6 -20.186 -0.456 -1.203 1.00 22.23 H new ATOM 0 HA2 GLY A 6 -18.204 1.161 0.246 1.00 71.42 H new ATOM 0 HA3 GLY A 6 -18.407 -0.579 0.289 1.00 71.42 H new ATOM 71 N LEU A 7 -17.652 0.552 -2.644 1.00 14.22 N ATOM 72 CA LEU A 7 -16.713 0.466 -3.750 1.00 5.12 C ATOM 73 C LEU A 7 -15.541 1.414 -3.491 1.00 14.55 C ATOM 74 O LEU A 7 -14.393 1.084 -3.787 1.00 43.11 O ATOM 75 CB LEU A 7 -17.427 0.719 -5.079 1.00 52.53 C ATOM 76 CG LEU A 7 -17.996 -0.516 -5.780 1.00 22.30 C ATOM 77 CD1 LEU A 7 -19.090 -0.127 -6.776 1.00 13.21 C ATOM 78 CD2 LEU A 7 -16.885 -1.334 -6.440 1.00 53.25 C ATOM 0 H LEU A 7 -18.559 0.951 -2.885 1.00 14.22 H new ATOM 0 HA LEU A 7 -16.300 -0.540 -3.823 1.00 5.12 H new ATOM 0 HB2 LEU A 7 -18.243 1.420 -4.903 1.00 52.53 H new ATOM 0 HB3 LEU A 7 -16.727 1.207 -5.757 1.00 52.53 H new ATOM 0 HG LEU A 7 -18.459 -1.152 -5.026 1.00 22.30 H new ATOM 0 HD11 LEU A 7 -19.477 -1.024 -7.260 1.00 13.21 H new ATOM 0 HD12 LEU A 7 -19.899 0.379 -6.249 1.00 13.21 H new ATOM 0 HD13 LEU A 7 -18.675 0.542 -7.530 1.00 13.21 H new ATOM 0 HD21 LEU A 7 -17.318 -2.206 -6.931 1.00 53.25 H new ATOM 0 HD22 LEU A 7 -16.371 -0.720 -7.179 1.00 53.25 H new ATOM 0 HD23 LEU A 7 -16.174 -1.660 -5.681 1.00 53.25 H new ATOM 90 N LEU A 8 -15.869 2.576 -2.943 1.00 64.55 N ATOM 91 CA LEU A 8 -14.858 3.573 -2.641 1.00 3.34 C ATOM 92 C LEU A 8 -13.929 3.039 -1.549 1.00 14.01 C ATOM 93 O LEU A 8 -12.825 3.550 -1.363 1.00 33.21 O ATOM 94 CB LEU A 8 -15.513 4.911 -2.290 1.00 60.23 C ATOM 95 CG LEU A 8 -15.760 5.865 -3.460 1.00 53.23 C ATOM 96 CD1 LEU A 8 -14.514 5.989 -4.338 1.00 75.03 C ATOM 97 CD2 LEU A 8 -16.989 5.438 -4.266 1.00 45.32 C ATOM 0 H LEU A 8 -16.822 2.848 -2.701 1.00 64.55 H new ATOM 0 HA LEU A 8 -14.241 3.766 -3.518 1.00 3.34 H new ATOM 0 HB2 LEU A 8 -16.468 4.709 -1.804 1.00 60.23 H new ATOM 0 HB3 LEU A 8 -14.885 5.420 -1.559 1.00 60.23 H new ATOM 0 HG LEU A 8 -15.969 6.855 -3.055 1.00 53.23 H new ATOM 0 HD11 LEU A 8 -14.716 6.673 -5.162 1.00 75.03 H new ATOM 0 HD12 LEU A 8 -13.686 6.374 -3.742 1.00 75.03 H new ATOM 0 HD13 LEU A 8 -14.250 5.009 -4.736 1.00 75.03 H new ATOM 0 HD21 LEU A 8 -17.142 6.133 -5.092 1.00 45.32 H new ATOM 0 HD22 LEU A 8 -16.834 4.434 -4.661 1.00 45.32 H new ATOM 0 HD23 LEU A 8 -17.867 5.443 -3.620 1.00 45.32 H new ATOM 109 N GLY A 9 -14.409 2.017 -0.857 1.00 64.42 N ATOM 110 CA GLY A 9 -13.635 1.408 0.212 1.00 74.35 C ATOM 111 C GLY A 9 -12.744 0.286 -0.327 1.00 11.33 C ATOM 112 O GLY A 9 -11.745 -0.071 0.295 1.00 74.31 O ATOM 0 H GLY A 9 -15.324 1.595 -1.015 1.00 64.42 H new ATOM 0 HA2 GLY A 9 -13.019 2.165 0.697 1.00 74.35 H new ATOM 0 HA3 GLY A 9 -14.308 1.010 0.972 1.00 74.35 H new ATOM 116 N PHE A 10 -13.138 -0.237 -1.480 1.00 1.14 N ATOM 117 CA PHE A 10 -12.387 -1.309 -2.110 1.00 31.31 C ATOM 118 C PHE A 10 -10.947 -0.878 -2.392 1.00 32.41 C ATOM 119 O PHE A 10 -10.009 -1.633 -2.141 1.00 74.25 O ATOM 120 CB PHE A 10 -13.083 -1.622 -3.436 1.00 74.15 C ATOM 121 CG PHE A 10 -13.016 -3.096 -3.841 1.00 64.22 C ATOM 122 CD1 PHE A 10 -14.103 -3.897 -3.672 1.00 54.23 C ATOM 123 CD2 PHE A 10 -11.871 -3.606 -4.369 1.00 12.11 C ATOM 124 CE1 PHE A 10 -14.040 -5.265 -4.048 1.00 22.51 C ATOM 125 CE2 PHE A 10 -11.810 -4.973 -4.746 1.00 45.44 C ATOM 126 CZ PHE A 10 -12.895 -5.775 -4.576 1.00 33.25 C ATOM 0 H PHE A 10 -13.967 0.062 -1.993 1.00 1.14 H new ATOM 0 HA PHE A 10 -12.355 -2.178 -1.452 1.00 31.31 H new ATOM 0 HB2 PHE A 10 -14.129 -1.322 -3.365 1.00 74.15 H new ATOM 0 HB3 PHE A 10 -12.631 -1.019 -4.223 1.00 74.15 H new ATOM 0 HD1 PHE A 10 -15.012 -3.493 -3.252 1.00 54.23 H new ATOM 0 HD2 PHE A 10 -11.008 -2.971 -4.501 1.00 12.11 H new ATOM 0 HE1 PHE A 10 -14.902 -5.901 -3.915 1.00 22.51 H new ATOM 0 HE2 PHE A 10 -10.901 -5.376 -5.168 1.00 45.44 H new ATOM 0 HZ PHE A 10 -12.848 -6.816 -4.860 1.00 33.25 H new ATOM 136 N LEU A 11 -10.817 0.334 -2.910 1.00 51.11 N ATOM 137 CA LEU A 11 -9.506 0.875 -3.230 1.00 45.11 C ATOM 138 C LEU A 11 -8.776 1.232 -1.933 1.00 24.34 C ATOM 139 O LEU A 11 -7.594 0.932 -1.779 1.00 61.45 O ATOM 140 CB LEU A 11 -9.633 2.046 -4.206 1.00 41.21 C ATOM 141 CG LEU A 11 -9.789 1.674 -5.682 1.00 23.53 C ATOM 142 CD1 LEU A 11 -8.724 0.663 -6.109 1.00 33.11 C ATOM 143 CD2 LEU A 11 -11.205 1.173 -5.974 1.00 64.44 C ATOM 0 H LEU A 11 -11.598 0.957 -3.116 1.00 51.11 H new ATOM 0 HA LEU A 11 -8.900 0.127 -3.742 1.00 45.11 H new ATOM 0 HB2 LEU A 11 -10.492 2.648 -3.911 1.00 41.21 H new ATOM 0 HB3 LEU A 11 -8.751 2.677 -4.102 1.00 41.21 H new ATOM 0 HG LEU A 11 -9.636 2.573 -6.279 1.00 23.53 H new ATOM 0 HD11 LEU A 11 -8.858 0.416 -7.162 1.00 33.11 H new ATOM 0 HD12 LEU A 11 -7.734 1.093 -5.960 1.00 33.11 H new ATOM 0 HD13 LEU A 11 -8.820 -0.242 -5.509 1.00 33.11 H new ATOM 0 HD21 LEU A 11 -11.289 0.915 -7.030 1.00 64.44 H new ATOM 0 HD22 LEU A 11 -11.411 0.291 -5.368 1.00 64.44 H new ATOM 0 HD23 LEU A 11 -11.925 1.955 -5.733 1.00 64.44 H new ATOM 155 N ALA A 12 -9.512 1.868 -1.033 1.00 33.41 N ATOM 156 CA ALA A 12 -8.951 2.269 0.245 1.00 11.42 C ATOM 157 C ALA A 12 -8.383 1.040 0.956 1.00 55.15 C ATOM 158 O ALA A 12 -7.443 1.152 1.742 1.00 74.25 O ATOM 159 CB ALA A 12 -10.023 2.978 1.074 1.00 25.31 C ATOM 0 H ALA A 12 -10.493 2.115 -1.164 1.00 33.41 H new ATOM 0 HA ALA A 12 -8.132 2.974 0.100 1.00 11.42 H new ATOM 0 HB1 ALA A 12 -9.601 3.279 2.033 1.00 25.31 H new ATOM 0 HB2 ALA A 12 -10.372 3.861 0.538 1.00 25.31 H new ATOM 0 HB3 ALA A 12 -10.860 2.301 1.242 1.00 25.31 H new ATOM 165 N ALA A 13 -8.976 -0.106 0.654 1.00 1.14 N ATOM 166 CA ALA A 13 -8.540 -1.356 1.254 1.00 33.14 C ATOM 167 C ALA A 13 -7.071 -1.600 0.903 1.00 14.01 C ATOM 168 O ALA A 13 -6.283 -1.999 1.759 1.00 15.40 O ATOM 169 CB ALA A 13 -9.449 -2.492 0.783 1.00 63.01 C ATOM 0 H ALA A 13 -9.755 -0.195 0.002 1.00 1.14 H new ATOM 0 HA ALA A 13 -8.615 -1.308 2.340 1.00 33.14 H new ATOM 0 HB1 ALA A 13 -9.122 -3.430 1.233 1.00 63.01 H new ATOM 0 HB2 ALA A 13 -10.476 -2.284 1.083 1.00 63.01 H new ATOM 0 HB3 ALA A 13 -9.397 -2.573 -0.303 1.00 63.01 H new ATOM 175 N GLY A 14 -6.748 -1.351 -0.358 1.00 62.20 N ATOM 176 CA GLY A 14 -5.388 -1.539 -0.833 1.00 72.54 C ATOM 177 C GLY A 14 -4.466 -0.438 -0.308 1.00 11.34 C ATOM 178 O GLY A 14 -3.283 -0.673 -0.072 1.00 62.23 O ATOM 0 H GLY A 14 -7.405 -1.021 -1.065 1.00 62.20 H new ATOM 0 HA2 GLY A 14 -5.018 -2.512 -0.511 1.00 72.54 H new ATOM 0 HA3 GLY A 14 -5.377 -1.539 -1.923 1.00 72.54 H new ATOM 182 N SER A 15 -5.045 0.744 -0.142 1.00 52.24 N ATOM 183 CA SER A 15 -4.289 1.883 0.350 1.00 2.11 C ATOM 184 C SER A 15 -4.175 1.817 1.874 1.00 50.12 C ATOM 185 O SER A 15 -3.640 2.730 2.501 1.00 54.43 O ATOM 186 CB SER A 15 -4.941 3.201 -0.076 1.00 5.00 C ATOM 187 OG SER A 15 -4.794 4.214 0.916 1.00 74.41 O ATOM 0 H SER A 15 -6.027 0.936 -0.339 1.00 52.24 H new ATOM 0 HA SER A 15 -3.290 1.844 -0.085 1.00 2.11 H new ATOM 0 HB2 SER A 15 -4.495 3.541 -1.010 1.00 5.00 H new ATOM 0 HB3 SER A 15 -6.001 3.035 -0.271 1.00 5.00 H new ATOM 0 HG SER A 15 -3.937 4.099 1.376 1.00 74.41 H new ATOM 193 N LYS A 16 -4.686 0.726 2.427 1.00 53.11 N ATOM 194 CA LYS A 16 -4.647 0.528 3.866 1.00 54.30 C ATOM 195 C LYS A 16 -3.202 0.649 4.354 1.00 22.10 C ATOM 196 O LYS A 16 -2.961 0.975 5.515 1.00 64.25 O ATOM 197 CB LYS A 16 -5.315 -0.797 4.242 1.00 54.45 C ATOM 198 CG LYS A 16 -4.392 -1.980 3.943 1.00 0.21 C ATOM 199 CD LYS A 16 -3.897 -2.630 5.237 1.00 12.43 C ATOM 200 CE LYS A 16 -4.436 -4.055 5.375 1.00 51.45 C ATOM 201 NZ LYS A 16 -5.790 -4.042 5.970 1.00 34.13 N ATOM 0 H LYS A 16 -5.129 -0.030 1.904 1.00 53.11 H new ATOM 0 HA LYS A 16 -5.221 1.303 4.374 1.00 54.30 H new ATOM 0 HB2 LYS A 16 -5.573 -0.791 5.301 1.00 54.45 H new ATOM 0 HB3 LYS A 16 -6.247 -0.909 3.688 1.00 54.45 H new ATOM 0 HG2 LYS A 16 -4.923 -2.718 3.342 1.00 0.21 H new ATOM 0 HG3 LYS A 16 -3.540 -1.641 3.353 1.00 0.21 H new ATOM 0 HD2 LYS A 16 -2.807 -2.647 5.246 1.00 12.43 H new ATOM 0 HD3 LYS A 16 -4.214 -2.033 6.092 1.00 12.43 H new ATOM 0 HE2 LYS A 16 -4.467 -4.535 4.397 1.00 51.45 H new ATOM 0 HE3 LYS A 16 -3.764 -4.645 5.998 1.00 51.45 H new ATOM 0 HZ1 LYS A 16 -6.141 -5.017 6.056 1.00 34.13 H new ATOM 0 HZ2 LYS A 16 -5.751 -3.603 6.912 1.00 34.13 H new ATOM 0 HZ3 LYS A 16 -6.432 -3.496 5.360 1.00 34.13 H new ATOM 214 N LYS A 17 -2.278 0.381 3.443 1.00 64.10 N ATOM 215 CA LYS A 17 -0.864 0.455 3.766 1.00 4.04 C ATOM 216 C LYS A 17 -0.303 1.793 3.279 1.00 32.15 C ATOM 217 O LYS A 17 0.259 2.557 4.061 1.00 2.13 O ATOM 218 CB LYS A 17 -0.122 -0.762 3.211 1.00 13.30 C ATOM 219 CG LYS A 17 1.393 -0.574 3.314 1.00 74.44 C ATOM 220 CD LYS A 17 2.134 -1.656 2.527 1.00 55.14 C ATOM 221 CE LYS A 17 2.405 -1.202 1.091 1.00 10.33 C ATOM 222 NZ LYS A 17 3.561 -0.277 1.049 1.00 65.45 N ATOM 0 H LYS A 17 -2.482 0.112 2.480 1.00 64.10 H new ATOM 0 HA LYS A 17 -0.718 0.422 4.846 1.00 4.04 H new ATOM 0 HB2 LYS A 17 -0.419 -1.655 3.760 1.00 13.30 H new ATOM 0 HB3 LYS A 17 -0.403 -0.920 2.170 1.00 13.30 H new ATOM 0 HG2 LYS A 17 1.668 0.410 2.934 1.00 74.44 H new ATOM 0 HG3 LYS A 17 1.697 -0.608 4.360 1.00 74.44 H new ATOM 0 HD2 LYS A 17 3.077 -1.890 3.022 1.00 55.14 H new ATOM 0 HD3 LYS A 17 1.543 -2.572 2.517 1.00 55.14 H new ATOM 0 HE2 LYS A 17 2.602 -2.069 0.460 1.00 10.33 H new ATOM 0 HE3 LYS A 17 1.522 -0.708 0.687 1.00 10.33 H new ATOM 0 HZ1 LYS A 17 3.476 0.347 0.221 1.00 65.45 H new ATOM 0 HZ2 LYS A 17 3.577 0.298 1.916 1.00 65.45 H new ATOM 0 HZ3 LYS A 17 4.442 -0.825 0.981 1.00 65.45 H new HETATM 235 C1 ACA A 18 3.292 2.718 -2.896 1.00 53.40 C HETATM 236 O1 ACA A 18 4.292 2.774 -2.182 1.00 1.42 O HETATM 237 C2 ACA A 18 2.353 1.958 -2.041 1.00 53.23 C HETATM 238 C3 ACA A 18 2.082 2.715 -0.740 1.00 4.41 C HETATM 239 C4 ACA A 18 0.936 3.714 -0.915 1.00 45.03 C HETATM 240 C5 ACA A 18 -0.294 3.283 -0.114 1.00 32.53 C HETATM 241 C6 ACA A 18 0.004 3.267 1.385 1.00 63.13 C HETATM 242 N6 ACA A 18 -0.477 2.035 1.988 1.00 71.00 N HETATM 0 HN61 ACA A 18 -0.939 1.332 1.412 1.00 71.00 H new HETATM 0 H62 ACA A 18 1.077 3.364 1.549 1.00 63.13 H new HETATM 0 H61 ACA A 18 -0.471 4.123 1.865 1.00 63.13 H new HETATM 0 H52 ACA A 18 -1.121 3.964 -0.316 1.00 32.53 H new HETATM 0 H51 ACA A 18 -0.612 2.291 -0.435 1.00 32.53 H new HETATM 0 H42 ACA A 18 1.258 4.703 -0.589 1.00 45.03 H new HETATM 0 H41 ACA A 18 0.677 3.795 -1.971 1.00 45.03 H new HETATM 0 H32 ACA A 18 1.835 2.008 0.052 1.00 4.41 H new HETATM 0 H31 ACA A 18 2.984 3.242 -0.427 1.00 4.41 H new HETATM 0 H22 ACA A 18 1.417 1.794 -2.575 1.00 53.23 H new HETATM 0 H21 ACA A 18 2.769 0.976 -1.817 1.00 53.23 H new ATOM 254 N LYS A 19 3.288 2.282 -4.148 1.00 2.32 N ATOM 255 CA LYS A 19 4.510 1.824 -4.784 1.00 15.30 C ATOM 256 C LYS A 19 5.126 2.974 -5.583 1.00 12.21 C ATOM 257 O LYS A 19 6.165 3.513 -5.204 1.00 43.31 O ATOM 258 CB LYS A 19 4.243 0.570 -5.619 1.00 13.11 C ATOM 259 CG LYS A 19 5.553 -0.088 -6.058 1.00 2.44 C ATOM 260 CD LYS A 19 5.467 -1.611 -5.944 1.00 21.31 C ATOM 261 CE LYS A 19 5.224 -2.040 -4.495 1.00 52.01 C ATOM 262 NZ LYS A 19 3.881 -2.647 -4.354 1.00 45.32 N ATOM 0 HA LYS A 19 5.242 1.529 -4.032 1.00 15.30 H new ATOM 0 HB2 LYS A 19 3.653 -0.139 -5.038 1.00 13.11 H new ATOM 0 HB3 LYS A 19 3.652 0.833 -6.497 1.00 13.11 H new ATOM 0 HG2 LYS A 19 5.777 0.191 -7.088 1.00 2.44 H new ATOM 0 HG3 LYS A 19 6.373 0.281 -5.442 1.00 2.44 H new ATOM 0 HD2 LYS A 19 4.661 -1.982 -6.577 1.00 21.31 H new ATOM 0 HD3 LYS A 19 6.391 -2.059 -6.310 1.00 21.31 H new ATOM 0 HE2 LYS A 19 5.987 -2.755 -4.188 1.00 52.01 H new ATOM 0 HE3 LYS A 19 5.311 -1.177 -3.834 1.00 52.01 H new ATOM 0 HZ1 LYS A 19 3.506 -2.443 -3.406 1.00 45.32 H new ATOM 0 HZ2 LYS A 19 3.243 -2.248 -5.072 1.00 45.32 H new ATOM 0 HZ3 LYS A 19 3.950 -3.676 -4.485 1.00 45.32 H new ATOM 275 N ASN A 20 4.460 3.317 -6.676 1.00 41.11 N ATOM 276 CA ASN A 20 4.928 4.394 -7.532 1.00 70.42 C ATOM 277 C ASN A 20 4.198 5.687 -7.163 1.00 14.12 C ATOM 278 O ASN A 20 3.040 5.655 -6.751 1.00 60.33 O ATOM 279 CB ASN A 20 4.641 4.092 -9.004 1.00 10.11 C ATOM 280 CG ASN A 20 5.933 4.081 -9.824 1.00 3.53 C ATOM 281 OD1 ASN A 20 6.258 5.021 -10.530 1.00 11.42 O ATOM 282 ND2 ASN A 20 6.649 2.969 -9.690 1.00 44.13 N ATOM 0 H ASN A 20 3.599 2.868 -6.989 1.00 41.11 H new ATOM 0 HA ASN A 20 6.004 4.496 -7.388 1.00 70.42 H new ATOM 0 HB2 ASN A 20 4.143 3.126 -9.090 1.00 10.11 H new ATOM 0 HB3 ASN A 20 3.957 4.840 -9.406 1.00 10.11 H new ATOM 0 HD21 ASN A 20 7.529 2.865 -10.195 1.00 44.13 H new ATOM 0 HD22 ASN A 20 6.319 2.220 -9.082 1.00 44.13 H new ATOM 289 N GLU A 21 4.907 6.795 -7.324 1.00 61.11 N ATOM 290 CA GLU A 21 4.341 8.096 -7.013 1.00 11.14 C ATOM 291 C GLU A 21 3.007 8.284 -7.741 1.00 74.35 C ATOM 292 O GLU A 21 2.134 9.009 -7.268 1.00 44.34 O ATOM 293 CB GLU A 21 5.319 9.219 -7.367 1.00 63.23 C ATOM 294 CG GLU A 21 5.766 9.118 -8.826 1.00 32.42 C ATOM 295 CD GLU A 21 5.378 10.375 -9.607 1.00 43.43 C ATOM 296 OE1 GLU A 21 5.494 11.491 -9.081 1.00 5.15 O ATOM 297 OE2 GLU A 21 4.945 10.162 -10.803 1.00 1.24 O ATOM 0 H GLU A 21 5.868 6.818 -7.666 1.00 61.11 H new ATOM 0 HA GLU A 21 4.157 8.142 -5.940 1.00 11.14 H new ATOM 0 HB2 GLU A 21 4.846 10.186 -7.194 1.00 63.23 H new ATOM 0 HB3 GLU A 21 6.189 9.168 -6.712 1.00 63.23 H new ATOM 0 HG2 GLU A 21 6.846 8.977 -8.870 1.00 32.42 H new ATOM 0 HG3 GLU A 21 5.311 8.243 -9.290 1.00 32.42 H new ATOM 305 N GLN A 22 2.893 7.615 -8.880 1.00 24.10 N ATOM 306 CA GLN A 22 1.680 7.699 -9.676 1.00 74.32 C ATOM 307 C GLN A 22 0.446 7.669 -8.772 1.00 42.45 C ATOM 308 O GLN A 22 -0.398 8.560 -8.839 1.00 74.14 O ATOM 309 CB GLN A 22 1.628 6.574 -10.712 1.00 35.45 C ATOM 310 CG GLN A 22 1.653 7.137 -12.135 1.00 22.22 C ATOM 311 CD GLN A 22 3.040 6.986 -12.760 1.00 52.41 C ATOM 312 OE1 GLN A 22 3.457 5.911 -13.160 1.00 1.22 O ATOM 313 NE2 GLN A 22 3.732 8.121 -12.822 1.00 72.31 N ATOM 0 H GLN A 22 3.619 7.014 -9.270 1.00 24.10 H new ATOM 0 HA GLN A 22 1.687 8.647 -10.214 1.00 74.32 H new ATOM 0 HB2 GLN A 22 2.475 5.903 -10.568 1.00 35.45 H new ATOM 0 HB3 GLN A 22 0.724 5.983 -10.567 1.00 35.45 H new ATOM 0 HG2 GLN A 22 0.916 6.619 -12.748 1.00 22.22 H new ATOM 0 HG3 GLN A 22 1.370 8.190 -12.118 1.00 22.22 H new ATOM 0 HE21 GLN A 22 3.324 8.987 -12.469 1.00 72.31 H new ATOM 0 HE22 GLN A 22 4.670 8.125 -13.222 1.00 72.31 H new ATOM 322 N GLU A 23 0.383 6.635 -7.947 1.00 64.43 N ATOM 323 CA GLU A 23 -0.733 6.478 -7.030 1.00 62.44 C ATOM 324 C GLU A 23 -0.940 7.759 -6.219 1.00 41.25 C ATOM 325 O GLU A 23 -2.067 8.223 -6.061 1.00 54.01 O ATOM 326 CB GLU A 23 -0.521 5.274 -6.108 1.00 22.00 C ATOM 327 CG GLU A 23 -1.736 5.053 -5.204 1.00 14.22 C ATOM 328 CD GLU A 23 -1.635 3.717 -4.467 1.00 25.45 C ATOM 329 OE1 GLU A 23 -2.043 3.622 -3.300 1.00 51.02 O ATOM 330 OE2 GLU A 23 -1.112 2.755 -5.149 1.00 51.41 O ATOM 0 H GLU A 23 1.086 5.898 -7.894 1.00 64.43 H new ATOM 0 HA GLU A 23 -1.634 6.292 -7.615 1.00 62.44 H new ATOM 0 HB2 GLU A 23 -0.341 4.381 -6.706 1.00 22.00 H new ATOM 0 HB3 GLU A 23 0.367 5.432 -5.497 1.00 22.00 H new ATOM 0 HG2 GLU A 23 -1.809 5.866 -4.482 1.00 14.22 H new ATOM 0 HG3 GLU A 23 -2.647 5.075 -5.802 1.00 14.22 H new ATOM 338 N LEU A 24 0.168 8.294 -5.726 1.00 73.14 N ATOM 339 CA LEU A 24 0.124 9.512 -4.936 1.00 61.33 C ATOM 340 C LEU A 24 -0.826 10.510 -5.600 1.00 2.22 C ATOM 341 O LEU A 24 -1.684 11.092 -4.937 1.00 54.11 O ATOM 342 CB LEU A 24 1.536 10.059 -4.715 1.00 5.03 C ATOM 343 CG LEU A 24 1.900 10.410 -3.271 1.00 34.33 C ATOM 344 CD1 LEU A 24 0.743 11.127 -2.572 1.00 11.24 C ATOM 345 CD2 LEU A 24 2.352 9.167 -2.501 1.00 15.42 C ATOM 0 H LEU A 24 1.102 7.906 -5.859 1.00 73.14 H new ATOM 0 HA LEU A 24 -0.272 9.308 -3.941 1.00 61.33 H new ATOM 0 HB2 LEU A 24 2.251 9.322 -5.080 1.00 5.03 H new ATOM 0 HB3 LEU A 24 1.658 10.953 -5.327 1.00 5.03 H new ATOM 0 HG LEU A 24 2.743 11.101 -3.290 1.00 34.33 H new ATOM 0 HD11 LEU A 24 1.028 11.365 -1.547 1.00 11.24 H new ATOM 0 HD12 LEU A 24 0.509 12.048 -3.107 1.00 11.24 H new ATOM 0 HD13 LEU A 24 -0.134 10.480 -2.563 1.00 11.24 H new ATOM 0 HD21 LEU A 24 2.605 9.445 -1.478 1.00 15.42 H new ATOM 0 HD22 LEU A 24 1.546 8.433 -2.489 1.00 15.42 H new ATOM 0 HD23 LEU A 24 3.228 8.736 -2.987 1.00 15.42 H new ATOM 357 N LEU A 25 -0.641 10.680 -6.901 1.00 64.33 N ATOM 358 CA LEU A 25 -1.471 11.598 -7.661 1.00 35.21 C ATOM 359 C LEU A 25 -2.926 11.127 -7.610 1.00 71.52 C ATOM 360 O LEU A 25 -3.836 11.932 -7.422 1.00 23.30 O ATOM 361 CB LEU A 25 -0.927 11.760 -9.082 1.00 75.41 C ATOM 362 CG LEU A 25 0.461 12.392 -9.202 1.00 21.15 C ATOM 363 CD1 LEU A 25 0.816 13.174 -7.936 1.00 52.52 C ATOM 364 CD2 LEU A 25 1.516 11.339 -9.541 1.00 41.11 C ATOM 0 H LEU A 25 0.072 10.197 -7.448 1.00 64.33 H new ATOM 0 HA LEU A 25 -1.443 12.593 -7.217 1.00 35.21 H new ATOM 0 HB2 LEU A 25 -0.899 10.777 -9.553 1.00 75.41 H new ATOM 0 HB3 LEU A 25 -1.631 12.366 -9.652 1.00 75.41 H new ATOM 0 HG LEU A 25 0.443 13.104 -10.027 1.00 21.15 H new ATOM 0 HD11 LEU A 25 1.807 13.614 -8.046 1.00 52.52 H new ATOM 0 HD12 LEU A 25 0.083 13.966 -7.780 1.00 52.52 H new ATOM 0 HD13 LEU A 25 0.811 12.501 -7.079 1.00 52.52 H new ATOM 0 HD21 LEU A 25 2.493 11.815 -9.620 1.00 41.11 H new ATOM 0 HD22 LEU A 25 1.543 10.585 -8.755 1.00 41.11 H new ATOM 0 HD23 LEU A 25 1.265 10.865 -10.490 1.00 41.11 H new ATOM 376 N GLU A 26 -3.098 9.824 -7.780 1.00 30.33 N ATOM 377 CA GLU A 26 -4.427 9.235 -7.756 1.00 2.41 C ATOM 378 C GLU A 26 -5.143 9.597 -6.452 1.00 71.52 C ATOM 379 O GLU A 26 -6.341 9.879 -6.455 1.00 72.04 O ATOM 380 CB GLU A 26 -4.359 7.719 -7.942 1.00 43.41 C ATOM 381 CG GLU A 26 -3.753 7.360 -9.300 1.00 13.11 C ATOM 382 CD GLU A 26 -4.625 6.342 -10.037 1.00 31.13 C ATOM 383 OE1 GLU A 26 -5.836 6.562 -10.197 1.00 41.45 O ATOM 384 OE2 GLU A 26 -4.004 5.291 -10.453 1.00 14.20 O ATOM 0 H GLU A 26 -2.340 9.160 -7.935 1.00 30.33 H new ATOM 0 HA GLU A 26 -5.000 9.643 -8.589 1.00 2.41 H new ATOM 0 HB2 GLU A 26 -3.761 7.278 -7.145 1.00 43.41 H new ATOM 0 HB3 GLU A 26 -5.360 7.294 -7.862 1.00 43.41 H new ATOM 0 HG2 GLU A 26 -3.648 8.261 -9.905 1.00 13.11 H new ATOM 0 HG3 GLU A 26 -2.752 6.953 -9.159 1.00 13.11 H new ATOM 392 N LEU A 27 -4.379 9.576 -5.370 1.00 21.00 N ATOM 393 CA LEU A 27 -4.925 9.898 -4.062 1.00 33.42 C ATOM 394 C LEU A 27 -4.973 11.417 -3.894 1.00 0.42 C ATOM 395 O LEU A 27 -5.814 11.939 -3.163 1.00 32.30 O ATOM 396 CB LEU A 27 -4.140 9.180 -2.962 1.00 14.22 C ATOM 397 CG LEU A 27 -4.265 7.656 -2.933 1.00 44.11 C ATOM 398 CD1 LEU A 27 -5.156 7.202 -1.775 1.00 31.23 C ATOM 399 CD2 LEU A 27 -4.757 7.120 -4.279 1.00 22.12 C ATOM 0 H LEU A 27 -3.386 9.341 -5.372 1.00 21.00 H new ATOM 0 HA LEU A 27 -5.950 9.536 -3.977 1.00 33.42 H new ATOM 0 HB2 LEU A 27 -3.086 9.436 -3.070 1.00 14.22 H new ATOM 0 HB3 LEU A 27 -4.466 9.570 -1.998 1.00 14.22 H new ATOM 0 HG LEU A 27 -3.274 7.235 -2.762 1.00 44.11 H new ATOM 0 HD11 LEU A 27 -5.229 6.114 -1.777 1.00 31.23 H new ATOM 0 HD12 LEU A 27 -4.724 7.535 -0.831 1.00 31.23 H new ATOM 0 HD13 LEU A 27 -6.151 7.632 -1.891 1.00 31.23 H new ATOM 0 HD21 LEU A 27 -4.837 6.034 -4.231 1.00 22.12 H new ATOM 0 HD22 LEU A 27 -5.734 7.546 -4.505 1.00 22.12 H new ATOM 0 HD23 LEU A 27 -4.051 7.397 -5.061 1.00 22.12 H new ATOM 411 N ASP A 28 -4.059 12.086 -4.581 1.00 73.11 N ATOM 412 CA ASP A 28 -3.985 13.536 -4.517 1.00 35.43 C ATOM 413 C ASP A 28 -5.281 14.133 -5.070 1.00 72.13 C ATOM 414 O ASP A 28 -5.610 15.282 -4.785 1.00 3.21 O ATOM 415 CB ASP A 28 -2.824 14.066 -5.359 1.00 53.35 C ATOM 416 CG ASP A 28 -2.416 15.511 -5.062 1.00 61.20 C ATOM 417 OD1 ASP A 28 -2.922 16.457 -5.684 1.00 3.32 O ATOM 418 OD2 ASP A 28 -1.529 15.648 -4.136 1.00 44.44 O ATOM 0 H ASP A 28 -3.363 11.650 -5.186 1.00 73.11 H new ATOM 0 HA ASP A 28 -3.834 13.820 -3.476 1.00 35.43 H new ATOM 0 HB2 ASP A 28 -1.959 13.421 -5.205 1.00 53.35 H new ATOM 0 HB3 ASP A 28 -3.094 13.990 -6.412 1.00 53.35 H new ATOM 424 N LYS A 29 -5.982 13.323 -5.851 1.00 54.32 N ATOM 425 CA LYS A 29 -7.234 13.757 -6.447 1.00 52.30 C ATOM 426 C LYS A 29 -8.344 13.688 -5.396 1.00 32.35 C ATOM 427 O LYS A 29 -9.492 14.025 -5.679 1.00 5.05 O ATOM 428 CB LYS A 29 -7.533 12.951 -7.712 1.00 71.52 C ATOM 429 CG LYS A 29 -7.012 13.671 -8.957 1.00 74.42 C ATOM 430 CD LYS A 29 -5.529 14.017 -8.811 1.00 45.33 C ATOM 431 CE LYS A 29 -5.102 15.053 -9.853 1.00 72.55 C ATOM 432 NZ LYS A 29 -3.764 15.594 -9.527 1.00 4.12 N ATOM 0 H LYS A 29 -5.706 12.369 -6.084 1.00 54.32 H new ATOM 0 HA LYS A 29 -7.163 14.796 -6.769 1.00 52.30 H new ATOM 0 HB2 LYS A 29 -7.072 11.966 -7.637 1.00 71.52 H new ATOM 0 HB3 LYS A 29 -8.608 12.794 -7.802 1.00 71.52 H new ATOM 0 HG2 LYS A 29 -7.157 13.040 -9.834 1.00 74.42 H new ATOM 0 HG3 LYS A 29 -7.587 14.582 -9.122 1.00 74.42 H new ATOM 0 HD2 LYS A 29 -5.339 14.404 -7.810 1.00 45.33 H new ATOM 0 HD3 LYS A 29 -4.929 13.114 -8.923 1.00 45.33 H new ATOM 0 HE2 LYS A 29 -5.085 14.597 -10.843 1.00 72.55 H new ATOM 0 HE3 LYS A 29 -5.830 15.864 -9.888 1.00 72.55 H new ATOM 0 HZ1 LYS A 29 -3.489 16.296 -10.244 1.00 4.12 H new ATOM 0 HZ2 LYS A 29 -3.791 16.047 -8.591 1.00 4.12 H new ATOM 0 HZ3 LYS A 29 -3.070 14.820 -9.516 1.00 4.12 H new ATOM 445 N TRP A 30 -7.962 13.249 -4.206 1.00 73.45 N ATOM 446 CA TRP A 30 -8.910 13.131 -3.112 1.00 21.45 C ATOM 447 C TRP A 30 -9.816 14.364 -3.136 1.00 13.12 C ATOM 448 O TRP A 30 -11.037 14.244 -3.040 1.00 45.41 O ATOM 449 CB TRP A 30 -8.188 12.947 -1.777 1.00 40.11 C ATOM 450 CG TRP A 30 -7.910 11.486 -1.416 1.00 50.32 C ATOM 451 CD1 TRP A 30 -6.751 10.938 -1.026 1.00 15.51 C ATOM 452 CD2 TRP A 30 -8.862 10.401 -1.426 1.00 13.12 C ATOM 453 NE1 TRP A 30 -6.885 9.586 -0.786 1.00 11.31 N ATOM 454 CE2 TRP A 30 -8.210 9.249 -1.037 1.00 33.25 C ATOM 455 CE3 TRP A 30 -10.229 10.395 -1.755 1.00 44.02 C ATOM 456 CZ2 TRP A 30 -8.844 8.005 -0.939 1.00 61.41 C ATOM 457 CZ3 TRP A 30 -10.848 9.143 -1.652 1.00 21.23 C ATOM 458 CH2 TRP A 30 -10.206 7.974 -1.261 1.00 70.12 C ATOM 0 H TRP A 30 -7.008 12.971 -3.976 1.00 73.45 H new ATOM 0 HA TRP A 30 -9.528 12.242 -3.233 1.00 21.45 H new ATOM 0 HB2 TRP A 30 -7.243 13.489 -1.809 1.00 40.11 H new ATOM 0 HB3 TRP A 30 -8.787 13.398 -0.986 1.00 40.11 H new ATOM 0 HD1 TRP A 30 -5.827 11.486 -0.914 1.00 15.51 H new ATOM 0 HE1 TRP A 30 -6.148 8.951 -0.481 1.00 11.31 H new ATOM 0 HE3 TRP A 30 -10.759 11.284 -2.062 1.00 44.02 H new ATOM 0 HZ2 TRP A 30 -8.311 7.117 -0.632 1.00 61.41 H new ATOM 0 HZ3 TRP A 30 -11.899 9.082 -1.894 1.00 21.23 H new ATOM 0 HH2 TRP A 30 -10.755 7.046 -1.206 1.00 70.12 H new ATOM 469 N ALA A 31 -9.183 15.521 -3.268 1.00 45.02 N ATOM 470 CA ALA A 31 -9.917 16.775 -3.306 1.00 73.44 C ATOM 471 C ALA A 31 -10.642 16.895 -4.648 1.00 13.41 C ATOM 472 O ALA A 31 -11.830 17.209 -4.690 1.00 4.34 O ATOM 473 CB ALA A 31 -8.954 17.937 -3.056 1.00 75.25 C ATOM 0 H ALA A 31 -8.171 15.616 -3.350 1.00 45.02 H new ATOM 0 HA ALA A 31 -10.672 16.803 -2.520 1.00 73.44 H new ATOM 0 HB1 ALA A 31 -9.504 18.878 -3.084 1.00 75.25 H new ATOM 0 HB2 ALA A 31 -8.487 17.819 -2.078 1.00 75.25 H new ATOM 0 HB3 ALA A 31 -8.184 17.944 -3.827 1.00 75.25 H new ATOM 479 N SER A 32 -9.895 16.641 -5.712 1.00 75.23 N ATOM 480 CA SER A 32 -10.451 16.717 -7.053 1.00 3.23 C ATOM 481 C SER A 32 -11.877 16.162 -7.060 1.00 51.22 C ATOM 482 O SER A 32 -12.708 16.586 -7.861 1.00 1.22 O ATOM 483 CB SER A 32 -9.581 15.956 -8.055 1.00 1.32 C ATOM 484 OG SER A 32 -10.182 15.895 -9.345 1.00 33.40 O ATOM 0 H SER A 32 -8.909 16.382 -5.673 1.00 75.23 H new ATOM 0 HA SER A 32 -10.473 17.764 -7.355 1.00 3.23 H new ATOM 0 HB2 SER A 32 -8.608 16.440 -8.131 1.00 1.32 H new ATOM 0 HB3 SER A 32 -9.406 14.945 -7.688 1.00 1.32 H new ATOM 0 HG SER A 32 -9.595 15.403 -9.956 1.00 33.40 H new ATOM 490 N LEU A 33 -12.116 15.221 -6.158 1.00 50.41 N ATOM 491 CA LEU A 33 -13.427 14.603 -6.050 1.00 43.40 C ATOM 492 C LEU A 33 -14.447 15.655 -5.610 1.00 3.51 C ATOM 493 O LEU A 33 -15.402 15.938 -6.331 1.00 2.52 O ATOM 494 CB LEU A 33 -13.368 13.380 -5.132 1.00 25.24 C ATOM 495 CG LEU A 33 -12.637 12.158 -5.689 1.00 42.21 C ATOM 496 CD1 LEU A 33 -12.282 11.175 -4.571 1.00 0.14 C ATOM 497 CD2 LEU A 33 -13.449 11.492 -6.801 1.00 33.15 C ATOM 0 H LEU A 33 -11.424 14.872 -5.495 1.00 50.41 H new ATOM 0 HA LEU A 33 -13.754 14.229 -7.020 1.00 43.40 H new ATOM 0 HB2 LEU A 33 -12.886 13.673 -4.200 1.00 25.24 H new ATOM 0 HB3 LEU A 33 -14.388 13.087 -4.885 1.00 25.24 H new ATOM 0 HG LEU A 33 -11.700 12.494 -6.133 1.00 42.21 H new ATOM 0 HD11 LEU A 33 -11.763 10.315 -4.994 1.00 0.14 H new ATOM 0 HD12 LEU A 33 -11.636 11.668 -3.845 1.00 0.14 H new ATOM 0 HD13 LEU A 33 -13.194 10.841 -4.077 1.00 0.14 H new ATOM 0 HD21 LEU A 33 -12.906 10.626 -7.179 1.00 33.15 H new ATOM 0 HD22 LEU A 33 -14.413 11.172 -6.406 1.00 33.15 H new ATOM 0 HD23 LEU A 33 -13.607 12.203 -7.612 1.00 33.15 H new ATOM 509 N TRP A 34 -14.210 16.206 -4.429 1.00 42.44 N ATOM 510 CA TRP A 34 -15.095 17.220 -3.884 1.00 23.35 C ATOM 511 C TRP A 34 -14.327 18.542 -3.835 1.00 51.21 C ATOM 512 O TRP A 34 -14.754 19.534 -4.425 1.00 63.31 O ATOM 513 CB TRP A 34 -15.641 16.796 -2.519 1.00 63.33 C ATOM 514 CG TRP A 34 -14.590 16.777 -1.407 1.00 20.10 C ATOM 515 CD1 TRP A 34 -13.913 15.724 -0.928 1.00 21.22 C ATOM 516 CD2 TRP A 34 -14.121 17.912 -0.649 1.00 61.40 C ATOM 517 NE1 TRP A 34 -13.046 16.095 0.079 1.00 55.40 N ATOM 518 CE2 TRP A 34 -13.176 17.468 0.254 1.00 2.14 C ATOM 519 CE3 TRP A 34 -14.483 19.269 -0.723 1.00 51.02 C ATOM 520 CZ2 TRP A 34 -12.514 18.317 1.150 1.00 63.43 C ATOM 521 CZ3 TRP A 34 -13.812 20.103 0.180 1.00 31.14 C ATOM 522 CH2 TRP A 34 -12.859 19.672 1.094 1.00 0.31 C ATOM 0 H TRP A 34 -13.416 15.969 -3.834 1.00 42.44 H new ATOM 0 HA TRP A 34 -15.970 17.349 -4.521 1.00 23.35 H new ATOM 0 HB2 TRP A 34 -16.445 17.475 -2.234 1.00 63.33 H new ATOM 0 HB3 TRP A 34 -16.080 15.802 -2.607 1.00 63.33 H new ATOM 0 HD1 TRP A 34 -14.031 14.712 -1.286 1.00 21.22 H new ATOM 0 HE1 TRP A 34 -12.424 15.476 0.599 1.00 55.40 H new ATOM 0 HE3 TRP A 34 -15.220 19.639 -1.421 1.00 51.02 H new ATOM 0 HZ2 TRP A 34 -11.777 17.946 1.847 1.00 63.43 H new ATOM 0 HZ3 TRP A 34 -14.053 21.156 0.165 1.00 31.14 H new ATOM 0 HH2 TRP A 34 -12.386 20.380 1.759 1.00 0.31 H new ATOM 533 N ASN A 35 -13.208 18.514 -3.128 1.00 44.52 N ATOM 534 CA ASN A 35 -12.376 19.698 -2.995 1.00 52.21 C ATOM 535 C ASN A 35 -13.247 20.883 -2.574 1.00 12.12 C ATOM 536 O ASN A 35 -13.810 21.576 -3.420 1.00 73.03 O ATOM 537 CB ASN A 35 -11.706 20.053 -4.324 1.00 72.23 C ATOM 538 CG ASN A 35 -10.933 21.369 -4.215 1.00 64.43 C ATOM 539 OD1 ASN A 35 -11.077 22.126 -3.269 1.00 2.31 O ATOM 540 ND2 ASN A 35 -10.108 21.598 -5.232 1.00 51.03 N ATOM 0 H ASN A 35 -12.857 17.690 -2.641 1.00 44.52 H new ATOM 0 HA ASN A 35 -11.609 19.489 -2.249 1.00 52.21 H new ATOM 0 HB2 ASN A 35 -11.028 19.252 -4.619 1.00 72.23 H new ATOM 0 HB3 ASN A 35 -12.461 20.135 -5.106 1.00 72.23 H new ATOM 0 HD21 ASN A 35 -9.547 22.450 -5.252 1.00 51.03 H new ATOM 0 HD22 ASN A 35 -10.036 20.922 -5.992 1.00 51.03 H new TER 547 ASN A 35