USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 417 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 Set 1.1: A 41 SER OG : rot 93:sc= 1.32 USER MOD Set 1.2: A 44 THR OG1 : rot -60:sc= 0.756 USER MOD Set 2.1: A 30 ASN : amide:sc= 0.844 K(o=2.8,f=1.6) USER MOD Set 2.2: A 32 SER OG : rot 179:sc= 1.94 USER MOD Single : A 1 SER N :NH3+ -160:sc= 0.806 (180deg=0.497) USER MOD Single : A 1 SER OG : rot -58:sc= 0.214 USER MOD Single : A 2 THR OG1 : rot 180:sc=-0.00184 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -165:sc= 0.104 USER MOD Single : A 14 THR OG1 : rot -50:sc= 0.982 USER MOD Single : A 19 SER OG : rot -154:sc= 1.38 USER MOD Single : A 21 HIS : no HE2:sc= 0.486 K(o=0.49,f=-1.5!) USER MOD Single : A 22 LYS NZ :NH3+ -154:sc= 1.05 (180deg=0.591) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= 1.93 (180deg=1.6) USER MOD Single : A 27 GLN : amide:sc= 0.131 K(o=0.13,f=-3.8!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 148:sc= 0.974 USER MOD Single : A 47 THR OG1 : rot 54:sc= 0.507 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -144:sc= -0.143 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 29.182 42.906 30.522 1.00 0.00 N ATOM 2 CA SER A 1 29.608 43.575 29.280 1.00 0.00 C ATOM 3 C SER A 1 31.049 43.198 28.895 1.00 0.00 C ATOM 4 O SER A 1 31.336 43.000 27.710 1.00 0.00 O ATOM 5 CB SER A 1 29.439 45.105 29.374 1.00 0.00 C ATOM 6 OG SER A 1 30.483 45.759 30.073 1.00 0.00 O ATOM 0 H1 SER A 1 28.143 42.899 30.574 1.00 0.00 H new ATOM 0 H2 SER A 1 29.535 41.928 30.528 1.00 0.00 H new ATOM 0 H3 SER A 1 29.566 43.418 31.342 1.00 0.00 H new ATOM 0 HA SER A 1 28.953 43.218 28.485 1.00 0.00 H new ATOM 0 HB2 SER A 1 29.378 45.516 28.366 1.00 0.00 H new ATOM 0 HB3 SER A 1 28.492 45.326 29.867 1.00 0.00 H new ATOM 0 HG SER A 1 30.545 45.397 30.982 1.00 0.00 H new ATOM 12 N THR A 2 31.942 43.067 29.895 1.00 0.00 N ATOM 13 CA THR A 2 33.383 42.840 29.723 1.00 0.00 C ATOM 14 C THR A 2 34.088 42.479 31.030 1.00 0.00 C ATOM 15 O THR A 2 33.556 42.705 32.119 1.00 0.00 O ATOM 16 CB THR A 2 34.033 44.064 29.061 1.00 0.00 C ATOM 17 OG1 THR A 2 35.267 43.642 28.536 1.00 0.00 O ATOM 18 CG2 THR A 2 34.244 45.252 30.010 1.00 0.00 C ATOM 0 H THR A 2 31.667 43.119 30.876 1.00 0.00 H new ATOM 0 HA THR A 2 33.500 41.976 29.069 1.00 0.00 H new ATOM 0 HB THR A 2 33.357 44.433 28.289 1.00 0.00 H new ATOM 0 HG1 THR A 2 35.714 44.398 28.102 1.00 0.00 H new ATOM 0 HG21 THR A 2 34.707 46.075 29.466 1.00 0.00 H new ATOM 0 HG22 THR A 2 33.282 45.576 30.407 1.00 0.00 H new ATOM 0 HG23 THR A 2 34.893 44.950 30.832 1.00 0.00 H new ATOM 26 N LEU A 3 35.297 41.926 30.916 1.00 0.00 N ATOM 27 CA LEU A 3 36.207 41.588 32.012 1.00 0.00 C ATOM 28 C LEU A 3 37.327 42.637 32.177 1.00 0.00 C ATOM 29 O LEU A 3 37.597 43.437 31.278 1.00 0.00 O ATOM 30 CB LEU A 3 36.811 40.197 31.722 1.00 0.00 C ATOM 31 CG LEU A 3 35.799 39.084 31.375 1.00 0.00 C ATOM 32 CD1 LEU A 3 36.545 37.773 31.093 1.00 0.00 C ATOM 33 CD2 LEU A 3 34.754 38.889 32.485 1.00 0.00 C ATOM 0 H LEU A 3 35.689 41.689 30.005 1.00 0.00 H new ATOM 0 HA LEU A 3 35.648 41.577 32.948 1.00 0.00 H new ATOM 0 HB2 LEU A 3 37.515 40.293 30.895 1.00 0.00 H new ATOM 0 HB3 LEU A 3 37.384 39.882 32.594 1.00 0.00 H new ATOM 0 HG LEU A 3 35.257 39.389 30.480 1.00 0.00 H new ATOM 0 HD11 LEU A 3 35.826 36.991 30.849 1.00 0.00 H new ATOM 0 HD12 LEU A 3 37.226 37.915 30.254 1.00 0.00 H new ATOM 0 HD13 LEU A 3 37.113 37.481 31.976 1.00 0.00 H new ATOM 0 HD21 LEU A 3 34.063 38.097 32.199 1.00 0.00 H new ATOM 0 HD22 LEU A 3 35.256 38.615 33.413 1.00 0.00 H new ATOM 0 HD23 LEU A 3 34.202 39.817 32.632 1.00 0.00 H new ATOM 45 N PHE A 4 38.039 42.558 33.305 1.00 0.00 N ATOM 46 CA PHE A 4 39.137 43.446 33.700 1.00 0.00 C ATOM 47 C PHE A 4 39.926 42.861 34.885 1.00 0.00 C ATOM 48 O PHE A 4 39.356 42.168 35.723 1.00 0.00 O ATOM 49 CB PHE A 4 38.569 44.840 34.029 1.00 0.00 C ATOM 50 CG PHE A 4 39.594 45.953 33.989 1.00 0.00 C ATOM 51 CD1 PHE A 4 40.008 46.475 32.749 1.00 0.00 C ATOM 52 CD2 PHE A 4 40.129 46.475 35.180 1.00 0.00 C ATOM 53 CE1 PHE A 4 40.947 47.519 32.700 1.00 0.00 C ATOM 54 CE2 PHE A 4 41.065 47.524 35.131 1.00 0.00 C ATOM 55 CZ PHE A 4 41.473 48.047 33.892 1.00 0.00 C ATOM 0 H PHE A 4 37.856 41.837 34.003 1.00 0.00 H new ATOM 0 HA PHE A 4 39.839 43.540 32.871 1.00 0.00 H new ATOM 0 HB2 PHE A 4 37.771 45.071 33.323 1.00 0.00 H new ATOM 0 HB3 PHE A 4 38.119 44.812 35.021 1.00 0.00 H new ATOM 0 HD1 PHE A 4 39.603 46.072 31.833 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.821 46.070 36.133 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.265 47.916 31.747 1.00 0.00 H new ATOM 0 HE2 PHE A 4 41.471 47.928 36.047 1.00 0.00 H new ATOM 0 HZ PHE A 4 42.190 48.854 33.856 1.00 0.00 H new ATOM 65 N GLU A 5 41.226 43.145 34.987 1.00 0.00 N ATOM 66 CA GLU A 5 42.046 42.798 36.157 1.00 0.00 C ATOM 67 C GLU A 5 42.486 44.081 36.875 1.00 0.00 C ATOM 68 O GLU A 5 42.834 45.071 36.230 1.00 0.00 O ATOM 69 CB GLU A 5 43.246 41.937 35.727 1.00 0.00 C ATOM 70 CG GLU A 5 43.898 41.211 36.911 1.00 0.00 C ATOM 71 CD GLU A 5 44.967 40.216 36.435 1.00 0.00 C ATOM 72 OE1 GLU A 5 46.138 40.625 36.259 1.00 0.00 O ATOM 73 OE2 GLU A 5 44.636 39.021 36.247 1.00 0.00 O ATOM 0 H GLU A 5 41.747 43.627 34.254 1.00 0.00 H new ATOM 0 HA GLU A 5 41.458 42.206 36.859 1.00 0.00 H new ATOM 0 HB2 GLU A 5 42.918 41.204 34.990 1.00 0.00 H new ATOM 0 HB3 GLU A 5 43.988 42.570 35.239 1.00 0.00 H new ATOM 0 HG2 GLU A 5 44.350 41.940 37.583 1.00 0.00 H new ATOM 0 HG3 GLU A 5 43.134 40.682 37.482 1.00 0.00 H new ATOM 80 N ALA A 6 42.397 44.095 38.204 1.00 0.00 N ATOM 81 CA ALA A 6 42.786 45.192 39.076 1.00 0.00 C ATOM 82 C ALA A 6 44.266 45.546 38.860 1.00 0.00 C ATOM 83 O ALA A 6 45.163 44.740 39.126 1.00 0.00 O ATOM 84 CB ALA A 6 42.488 44.774 40.522 1.00 0.00 C ATOM 0 H ALA A 6 42.032 43.297 38.725 1.00 0.00 H new ATOM 0 HA ALA A 6 42.218 46.094 38.847 1.00 0.00 H new ATOM 0 HB1 ALA A 6 42.771 45.580 41.199 1.00 0.00 H new ATOM 0 HB2 ALA A 6 41.423 44.567 40.629 1.00 0.00 H new ATOM 0 HB3 ALA A 6 43.058 43.878 40.767 1.00 0.00 H new ATOM 90 N LEU A 7 44.502 46.768 38.382 1.00 0.00 N ATOM 91 CA LEU A 7 45.819 47.337 38.104 1.00 0.00 C ATOM 92 C LEU A 7 46.499 47.903 39.364 1.00 0.00 C ATOM 93 O LEU A 7 47.689 48.216 39.323 1.00 0.00 O ATOM 94 CB LEU A 7 45.658 48.430 37.023 1.00 0.00 C ATOM 95 CG LEU A 7 45.256 47.936 35.614 1.00 0.00 C ATOM 96 CD1 LEU A 7 45.199 49.130 34.646 1.00 0.00 C ATOM 97 CD2 LEU A 7 46.243 46.893 35.065 1.00 0.00 C ATOM 0 H LEU A 7 43.745 47.417 38.169 1.00 0.00 H new ATOM 0 HA LEU A 7 46.473 46.542 37.745 1.00 0.00 H new ATOM 0 HB2 LEU A 7 44.907 49.143 37.364 1.00 0.00 H new ATOM 0 HB3 LEU A 7 46.599 48.973 36.941 1.00 0.00 H new ATOM 0 HG LEU A 7 44.277 47.464 35.699 1.00 0.00 H new ATOM 0 HD11 LEU A 7 44.916 48.780 33.653 1.00 0.00 H new ATOM 0 HD12 LEU A 7 44.463 49.851 35.001 1.00 0.00 H new ATOM 0 HD13 LEU A 7 46.178 49.606 34.597 1.00 0.00 H new ATOM 0 HD21 LEU A 7 45.921 46.574 34.074 1.00 0.00 H new ATOM 0 HD22 LEU A 7 47.238 47.333 35.000 1.00 0.00 H new ATOM 0 HD23 LEU A 7 46.270 46.031 35.732 1.00 0.00 H new ATOM 109 N TYR A 8 45.768 48.029 40.477 1.00 0.00 N ATOM 110 CA TYR A 8 46.233 48.657 41.720 1.00 0.00 C ATOM 111 C TYR A 8 45.428 48.193 42.953 1.00 0.00 C ATOM 112 O TYR A 8 44.419 47.500 42.814 1.00 0.00 O ATOM 113 CB TYR A 8 46.188 50.185 41.546 1.00 0.00 C ATOM 114 CG TYR A 8 47.170 50.946 42.410 1.00 0.00 C ATOM 115 CD1 TYR A 8 48.549 50.828 42.157 1.00 0.00 C ATOM 116 CD2 TYR A 8 46.718 51.790 43.441 1.00 0.00 C ATOM 117 CE1 TYR A 8 49.478 51.552 42.925 1.00 0.00 C ATOM 118 CE2 TYR A 8 47.641 52.520 44.214 1.00 0.00 C ATOM 119 CZ TYR A 8 49.026 52.407 43.954 1.00 0.00 C ATOM 120 OH TYR A 8 49.931 53.119 44.676 1.00 0.00 O ATOM 0 H TYR A 8 44.809 47.687 40.540 1.00 0.00 H new ATOM 0 HA TYR A 8 47.259 48.344 41.911 1.00 0.00 H new ATOM 0 HB2 TYR A 8 46.382 50.424 40.501 1.00 0.00 H new ATOM 0 HB3 TYR A 8 45.180 50.534 41.771 1.00 0.00 H new ATOM 0 HD1 TYR A 8 48.896 50.177 41.368 1.00 0.00 H new ATOM 0 HD2 TYR A 8 45.660 51.878 43.640 1.00 0.00 H new ATOM 0 HE1 TYR A 8 50.535 51.454 42.728 1.00 0.00 H new ATOM 0 HE2 TYR A 8 47.291 53.166 45.005 1.00 0.00 H new ATOM 0 HH TYR A 8 49.462 53.661 45.345 1.00 0.00 H new ATOM 130 N ASP A 9 45.888 48.535 44.161 1.00 0.00 N ATOM 131 CA ASP A 9 45.225 48.214 45.434 1.00 0.00 C ATOM 132 C ASP A 9 44.242 49.320 45.895 1.00 0.00 C ATOM 133 O ASP A 9 44.409 50.499 45.578 1.00 0.00 O ATOM 134 CB ASP A 9 46.287 47.958 46.517 1.00 0.00 C ATOM 135 CG ASP A 9 47.305 46.866 46.151 1.00 0.00 C ATOM 136 OD1 ASP A 9 46.926 45.673 46.165 1.00 0.00 O ATOM 137 OD2 ASP A 9 48.489 47.193 45.898 1.00 0.00 O ATOM 0 H ASP A 9 46.755 49.057 44.286 1.00 0.00 H new ATOM 0 HA ASP A 9 44.630 47.315 45.274 1.00 0.00 H new ATOM 0 HB2 ASP A 9 46.822 48.887 46.713 1.00 0.00 H new ATOM 0 HB3 ASP A 9 45.786 47.677 47.443 1.00 0.00 H new ATOM 142 N TYR A 10 43.227 48.935 46.676 1.00 0.00 N ATOM 143 CA TYR A 10 42.098 49.780 47.113 1.00 0.00 C ATOM 144 C TYR A 10 41.405 49.231 48.383 1.00 0.00 C ATOM 145 O TYR A 10 41.564 48.057 48.727 1.00 0.00 O ATOM 146 CB TYR A 10 41.105 49.868 45.939 1.00 0.00 C ATOM 147 CG TYR A 10 39.858 50.698 46.179 1.00 0.00 C ATOM 148 CD1 TYR A 10 39.951 52.099 46.259 1.00 0.00 C ATOM 149 CD2 TYR A 10 38.611 50.067 46.361 1.00 0.00 C ATOM 150 CE1 TYR A 10 38.805 52.868 46.532 1.00 0.00 C ATOM 151 CE2 TYR A 10 37.463 50.828 46.641 1.00 0.00 C ATOM 152 CZ TYR A 10 37.561 52.232 46.738 1.00 0.00 C ATOM 153 OH TYR A 10 36.461 52.977 47.023 1.00 0.00 O ATOM 0 H TYR A 10 43.162 47.984 47.040 1.00 0.00 H new ATOM 0 HA TYR A 10 42.470 50.768 47.383 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.630 50.279 45.076 1.00 0.00 H new ATOM 0 HB3 TYR A 10 40.798 48.857 45.673 1.00 0.00 H new ATOM 0 HD1 TYR A 10 40.904 52.585 46.111 1.00 0.00 H new ATOM 0 HD2 TYR A 10 38.537 48.992 46.285 1.00 0.00 H new ATOM 0 HE1 TYR A 10 38.877 53.944 46.584 1.00 0.00 H new ATOM 0 HE2 TYR A 10 36.510 50.340 46.781 1.00 0.00 H new ATOM 0 HH TYR A 10 35.752 52.395 47.367 1.00 0.00 H new ATOM 163 N GLU A 11 40.541 50.032 49.025 1.00 0.00 N ATOM 164 CA GLU A 11 39.798 49.655 50.230 1.00 0.00 C ATOM 165 C GLU A 11 38.480 50.440 50.340 1.00 0.00 C ATOM 166 O GLU A 11 38.468 51.669 50.464 1.00 0.00 O ATOM 167 CB GLU A 11 40.669 49.862 51.481 1.00 0.00 C ATOM 168 CG GLU A 11 40.012 49.318 52.757 1.00 0.00 C ATOM 169 CD GLU A 11 39.813 47.795 52.701 1.00 0.00 C ATOM 170 OE1 GLU A 11 38.775 47.340 52.159 1.00 0.00 O ATOM 171 OE2 GLU A 11 40.696 47.063 53.203 1.00 0.00 O ATOM 0 H GLU A 11 40.337 50.981 48.711 1.00 0.00 H new ATOM 0 HA GLU A 11 39.544 48.597 50.157 1.00 0.00 H new ATOM 0 HB2 GLU A 11 41.631 49.370 51.334 1.00 0.00 H new ATOM 0 HB3 GLU A 11 40.871 50.926 51.606 1.00 0.00 H new ATOM 0 HG2 GLU A 11 40.630 49.571 53.619 1.00 0.00 H new ATOM 0 HG3 GLU A 11 39.047 49.804 52.903 1.00 0.00 H new ATOM 178 N ALA A 12 37.370 49.704 50.320 1.00 0.00 N ATOM 179 CA ALA A 12 36.007 50.197 50.175 1.00 0.00 C ATOM 180 C ALA A 12 35.560 51.219 51.241 1.00 0.00 C ATOM 181 O ALA A 12 35.605 50.963 52.448 1.00 0.00 O ATOM 182 CB ALA A 12 35.075 48.979 50.143 1.00 0.00 C ATOM 0 H ALA A 12 37.403 48.689 50.410 1.00 0.00 H new ATOM 0 HA ALA A 12 35.961 50.765 49.246 1.00 0.00 H new ATOM 0 HB1 ALA A 12 34.043 49.313 50.035 1.00 0.00 H new ATOM 0 HB2 ALA A 12 35.340 48.340 49.300 1.00 0.00 H new ATOM 0 HB3 ALA A 12 35.179 48.417 51.071 1.00 0.00 H new ATOM 188 N ARG A 13 34.886 52.259 50.746 1.00 0.00 N ATOM 189 CA ARG A 13 34.587 53.507 51.456 1.00 0.00 C ATOM 190 C ARG A 13 33.187 53.537 52.091 1.00 0.00 C ATOM 191 O ARG A 13 33.042 54.068 53.195 1.00 0.00 O ATOM 192 CB ARG A 13 34.717 54.688 50.472 1.00 0.00 C ATOM 193 CG ARG A 13 36.079 54.862 49.773 1.00 0.00 C ATOM 194 CD ARG A 13 37.204 55.393 50.667 1.00 0.00 C ATOM 195 NE ARG A 13 37.775 54.319 51.491 1.00 0.00 N ATOM 196 CZ ARG A 13 38.040 54.318 52.789 1.00 0.00 C ATOM 197 NH1 ARG A 13 37.875 55.382 53.549 1.00 0.00 N ATOM 198 NH2 ARG A 13 38.479 53.202 53.327 1.00 0.00 N ATOM 0 H ARG A 13 34.516 52.255 49.795 1.00 0.00 H new ATOM 0 HA ARG A 13 35.304 53.583 52.273 1.00 0.00 H new ATOM 0 HB2 ARG A 13 33.952 54.576 49.703 1.00 0.00 H new ATOM 0 HB3 ARG A 13 34.493 55.607 51.013 1.00 0.00 H new ATOM 0 HG2 ARG A 13 36.385 53.900 49.363 1.00 0.00 H new ATOM 0 HG3 ARG A 13 35.953 55.542 48.931 1.00 0.00 H new ATOM 0 HD2 ARG A 13 37.985 55.836 50.049 1.00 0.00 H new ATOM 0 HD3 ARG A 13 36.819 56.184 51.311 1.00 0.00 H new ATOM 0 HE ARG A 13 37.998 53.456 50.996 1.00 0.00 H new ATOM 0 HH11 ARG A 13 37.530 56.251 53.142 1.00 0.00 H new ATOM 0 HH12 ARG A 13 38.092 55.336 54.545 1.00 0.00 H new ATOM 0 HH21 ARG A 13 38.606 52.372 52.748 1.00 0.00 H new ATOM 0 HH22 ARG A 13 38.693 53.166 54.324 1.00 0.00 H new ATOM 212 N THR A 14 32.158 53.001 51.414 1.00 0.00 N ATOM 213 CA THR A 14 30.749 52.975 51.870 1.00 0.00 C ATOM 214 C THR A 14 30.387 51.636 52.508 1.00 0.00 C ATOM 215 O THR A 14 29.549 51.621 53.407 1.00 0.00 O ATOM 216 CB THR A 14 29.745 53.306 50.744 1.00 0.00 C ATOM 217 OG1 THR A 14 29.474 52.184 49.942 1.00 0.00 O ATOM 218 CG2 THR A 14 30.170 54.464 49.835 1.00 0.00 C ATOM 0 H THR A 14 32.283 52.558 50.504 1.00 0.00 H new ATOM 0 HA THR A 14 30.671 53.759 52.623 1.00 0.00 H new ATOM 0 HB THR A 14 28.847 53.620 51.276 1.00 0.00 H new ATOM 0 HG1 THR A 14 30.317 51.773 49.659 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.407 54.628 49.074 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.288 55.369 50.430 1.00 0.00 H new ATOM 0 HG23 THR A 14 31.117 54.220 49.354 1.00 0.00 H new ATOM 226 N GLU A 15 31.005 50.544 52.032 1.00 0.00 N ATOM 227 CA GLU A 15 30.855 49.128 52.420 1.00 0.00 C ATOM 228 C GLU A 15 29.850 48.383 51.506 1.00 0.00 C ATOM 229 O GLU A 15 29.761 47.155 51.541 1.00 0.00 O ATOM 230 CB GLU A 15 30.552 48.961 53.923 1.00 0.00 C ATOM 231 CG GLU A 15 30.982 47.609 54.502 1.00 0.00 C ATOM 232 CD GLU A 15 30.821 47.607 56.029 1.00 0.00 C ATOM 233 OE1 GLU A 15 29.718 47.274 56.524 1.00 0.00 O ATOM 234 OE2 GLU A 15 31.798 47.936 56.743 1.00 0.00 O ATOM 0 H GLU A 15 31.695 50.639 51.287 1.00 0.00 H new ATOM 0 HA GLU A 15 31.820 48.647 52.262 1.00 0.00 H new ATOM 0 HB2 GLU A 15 31.054 49.756 54.474 1.00 0.00 H new ATOM 0 HB3 GLU A 15 29.481 49.089 54.083 1.00 0.00 H new ATOM 0 HG2 GLU A 15 30.381 46.811 54.065 1.00 0.00 H new ATOM 0 HG3 GLU A 15 32.020 47.407 54.239 1.00 0.00 H new ATOM 241 N ASP A 16 29.127 49.112 50.646 1.00 0.00 N ATOM 242 CA ASP A 16 28.353 48.578 49.512 1.00 0.00 C ATOM 243 C ASP A 16 29.209 48.460 48.225 1.00 0.00 C ATOM 244 O ASP A 16 28.857 47.744 47.287 1.00 0.00 O ATOM 245 CB ASP A 16 27.135 49.488 49.288 1.00 0.00 C ATOM 246 CG ASP A 16 25.960 48.751 48.625 1.00 0.00 C ATOM 247 OD1 ASP A 16 25.290 47.955 49.327 1.00 0.00 O ATOM 248 OD2 ASP A 16 25.675 49.006 47.433 1.00 0.00 O ATOM 0 H ASP A 16 29.061 50.127 50.721 1.00 0.00 H new ATOM 0 HA ASP A 16 28.025 47.566 49.750 1.00 0.00 H new ATOM 0 HB2 ASP A 16 26.810 49.896 50.245 1.00 0.00 H new ATOM 0 HB3 ASP A 16 27.427 50.333 48.665 1.00 0.00 H new ATOM 253 N ASP A 17 30.358 49.143 48.210 1.00 0.00 N ATOM 254 CA ASP A 17 31.470 48.961 47.282 1.00 0.00 C ATOM 255 C ASP A 17 32.420 47.824 47.725 1.00 0.00 C ATOM 256 O ASP A 17 32.342 47.308 48.843 1.00 0.00 O ATOM 257 CB ASP A 17 32.177 50.311 47.032 1.00 0.00 C ATOM 258 CG ASP A 17 32.755 51.036 48.262 1.00 0.00 C ATOM 259 OD1 ASP A 17 32.055 51.149 49.301 1.00 0.00 O ATOM 260 OD2 ASP A 17 33.890 51.559 48.149 1.00 0.00 O ATOM 0 H ASP A 17 30.544 49.882 48.888 1.00 0.00 H new ATOM 0 HA ASP A 17 31.078 48.628 46.321 1.00 0.00 H new ATOM 0 HB2 ASP A 17 32.990 50.142 46.325 1.00 0.00 H new ATOM 0 HB3 ASP A 17 31.467 50.981 46.547 1.00 0.00 H new ATOM 265 N LEU A 18 33.297 47.410 46.808 1.00 0.00 N ATOM 266 CA LEU A 18 34.148 46.225 46.911 1.00 0.00 C ATOM 267 C LEU A 18 35.628 46.590 46.951 1.00 0.00 C ATOM 268 O LEU A 18 36.072 47.594 46.394 1.00 0.00 O ATOM 269 CB LEU A 18 33.871 45.270 45.733 1.00 0.00 C ATOM 270 CG LEU A 18 32.534 44.513 45.835 1.00 0.00 C ATOM 271 CD1 LEU A 18 32.248 43.800 44.505 1.00 0.00 C ATOM 272 CD2 LEU A 18 32.549 43.476 46.971 1.00 0.00 C ATOM 0 H LEU A 18 33.439 47.916 45.934 1.00 0.00 H new ATOM 0 HA LEU A 18 33.905 45.726 47.849 1.00 0.00 H new ATOM 0 HB2 LEU A 18 33.882 45.843 44.806 1.00 0.00 H new ATOM 0 HB3 LEU A 18 34.682 44.545 45.669 1.00 0.00 H new ATOM 0 HG LEU A 18 31.754 45.242 46.053 1.00 0.00 H new ATOM 0 HD11 LEU A 18 31.302 43.264 44.576 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.189 44.536 43.703 1.00 0.00 H new ATOM 0 HD13 LEU A 18 33.050 43.094 44.291 1.00 0.00 H new ATOM 0 HD21 LEU A 18 31.587 42.964 47.009 1.00 0.00 H new ATOM 0 HD22 LEU A 18 33.340 42.749 46.789 1.00 0.00 H new ATOM 0 HD23 LEU A 18 32.730 43.979 47.921 1.00 0.00 H new ATOM 284 N SER A 19 36.392 45.724 47.602 1.00 0.00 N ATOM 285 CA SER A 19 37.823 45.911 47.840 1.00 0.00 C ATOM 286 C SER A 19 38.657 44.909 47.056 1.00 0.00 C ATOM 287 O SER A 19 38.201 43.799 46.759 1.00 0.00 O ATOM 288 CB SER A 19 38.116 45.754 49.323 1.00 0.00 C ATOM 289 OG SER A 19 37.241 46.606 50.019 1.00 0.00 O ATOM 0 H SER A 19 36.030 44.852 47.989 1.00 0.00 H new ATOM 0 HA SER A 19 38.090 46.913 47.505 1.00 0.00 H new ATOM 0 HB2 SER A 19 37.973 44.719 49.635 1.00 0.00 H new ATOM 0 HB3 SER A 19 39.153 46.011 49.538 1.00 0.00 H new ATOM 0 HG SER A 19 37.640 46.852 50.880 1.00 0.00 H new ATOM 295 N PHE A 20 39.884 45.300 46.711 1.00 0.00 N ATOM 296 CA PHE A 20 40.680 44.578 45.732 1.00 0.00 C ATOM 297 C PHE A 20 42.177 44.867 45.833 1.00 0.00 C ATOM 298 O PHE A 20 42.631 45.815 46.476 1.00 0.00 O ATOM 299 CB PHE A 20 40.113 44.842 44.328 1.00 0.00 C ATOM 300 CG PHE A 20 40.035 46.295 43.889 1.00 0.00 C ATOM 301 CD1 PHE A 20 41.183 46.954 43.415 1.00 0.00 C ATOM 302 CD2 PHE A 20 38.805 46.983 43.925 1.00 0.00 C ATOM 303 CE1 PHE A 20 41.104 48.287 42.977 1.00 0.00 C ATOM 304 CE2 PHE A 20 38.725 48.315 43.484 1.00 0.00 C ATOM 305 CZ PHE A 20 39.874 48.969 43.014 1.00 0.00 C ATOM 0 H PHE A 20 40.347 46.121 47.102 1.00 0.00 H new ATOM 0 HA PHE A 20 40.601 43.513 45.948 1.00 0.00 H new ATOM 0 HB2 PHE A 20 40.724 44.300 43.606 1.00 0.00 H new ATOM 0 HB3 PHE A 20 39.110 44.417 44.280 1.00 0.00 H new ATOM 0 HD1 PHE A 20 42.129 46.434 43.387 1.00 0.00 H new ATOM 0 HD2 PHE A 20 37.921 46.484 44.293 1.00 0.00 H new ATOM 0 HE1 PHE A 20 41.988 48.788 42.612 1.00 0.00 H new ATOM 0 HE2 PHE A 20 37.779 48.835 43.507 1.00 0.00 H new ATOM 0 HZ PHE A 20 39.814 49.995 42.681 1.00 0.00 H new ATOM 315 N HIS A 21 42.930 44.004 45.162 1.00 0.00 N ATOM 316 CA HIS A 21 44.381 43.994 45.142 1.00 0.00 C ATOM 317 C HIS A 21 44.877 43.734 43.720 1.00 0.00 C ATOM 318 O HIS A 21 44.189 43.106 42.912 1.00 0.00 O ATOM 319 CB HIS A 21 44.887 42.924 46.121 1.00 0.00 C ATOM 320 CG HIS A 21 44.662 43.315 47.557 1.00 0.00 C ATOM 321 ND1 HIS A 21 45.315 44.328 48.206 1.00 0.00 N ATOM 322 CD2 HIS A 21 43.747 42.800 48.435 1.00 0.00 C ATOM 323 CE1 HIS A 21 44.812 44.427 49.445 1.00 0.00 C ATOM 324 NE2 HIS A 21 43.853 43.505 49.642 1.00 0.00 N ATOM 0 H HIS A 21 42.525 43.261 44.593 1.00 0.00 H new ATOM 0 HA HIS A 21 44.771 44.962 45.457 1.00 0.00 H new ATOM 0 HB2 HIS A 21 44.380 41.981 45.919 1.00 0.00 H new ATOM 0 HB3 HIS A 21 45.951 42.756 45.955 1.00 0.00 H new ATOM 0 HD1 HIS A 21 46.057 44.908 47.814 1.00 0.00 H new ATOM 0 HD2 HIS A 21 43.062 41.990 48.233 1.00 0.00 H new ATOM 0 HE1 HIS A 21 45.133 45.148 50.183 1.00 0.00 H new ATOM 332 N LYS A 22 46.048 44.280 43.400 1.00 0.00 N ATOM 333 CA LYS A 22 46.685 44.093 42.097 1.00 0.00 C ATOM 334 C LYS A 22 46.834 42.592 41.753 1.00 0.00 C ATOM 335 O LYS A 22 47.550 41.850 42.430 1.00 0.00 O ATOM 336 CB LYS A 22 47.994 44.904 42.051 1.00 0.00 C ATOM 337 CG LYS A 22 49.018 44.553 43.147 1.00 0.00 C ATOM 338 CD LYS A 22 50.125 45.613 43.208 1.00 0.00 C ATOM 339 CE LYS A 22 51.182 45.313 44.280 1.00 0.00 C ATOM 340 NZ LYS A 22 50.615 45.277 45.652 1.00 0.00 N ATOM 0 H LYS A 22 46.584 44.867 44.039 1.00 0.00 H new ATOM 0 HA LYS A 22 46.050 44.486 41.303 1.00 0.00 H new ATOM 0 HB2 LYS A 22 48.461 44.755 41.078 1.00 0.00 H new ATOM 0 HB3 LYS A 22 47.750 45.963 42.129 1.00 0.00 H new ATOM 0 HG2 LYS A 22 48.517 44.486 44.113 1.00 0.00 H new ATOM 0 HG3 LYS A 22 49.454 43.575 42.945 1.00 0.00 H new ATOM 0 HD2 LYS A 22 50.611 45.680 42.235 1.00 0.00 H new ATOM 0 HD3 LYS A 22 49.678 46.587 43.408 1.00 0.00 H new ATOM 0 HE2 LYS A 22 51.653 44.355 44.061 1.00 0.00 H new ATOM 0 HE3 LYS A 22 51.964 46.071 44.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 51.358 45.512 46.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 49.842 45.969 45.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 50.247 44.325 45.851 1.00 0.00 H new ATOM 354 N GLY A 23 46.105 42.143 40.724 1.00 0.00 N ATOM 355 CA GLY A 23 45.953 40.733 40.326 1.00 0.00 C ATOM 356 C GLY A 23 44.532 40.163 40.464 1.00 0.00 C ATOM 357 O GLY A 23 44.238 39.168 39.801 1.00 0.00 O ATOM 0 H GLY A 23 45.582 42.776 40.119 1.00 0.00 H new ATOM 0 HA2 GLY A 23 46.270 40.629 39.288 1.00 0.00 H new ATOM 0 HA3 GLY A 23 46.630 40.127 40.928 1.00 0.00 H new ATOM 361 N GLU A 24 43.639 40.783 41.244 1.00 0.00 N ATOM 362 CA GLU A 24 42.233 40.368 41.363 1.00 0.00 C ATOM 363 C GLU A 24 41.458 40.658 40.072 1.00 0.00 C ATOM 364 O GLU A 24 41.601 41.712 39.453 1.00 0.00 O ATOM 365 CB GLU A 24 41.548 41.025 42.580 1.00 0.00 C ATOM 366 CG GLU A 24 40.009 40.881 42.680 1.00 0.00 C ATOM 367 CD GLU A 24 39.420 39.449 42.739 1.00 0.00 C ATOM 368 OE1 GLU A 24 40.059 38.483 42.256 1.00 0.00 O ATOM 369 OE2 GLU A 24 38.274 39.299 43.232 1.00 0.00 O ATOM 0 H GLU A 24 43.872 41.594 41.816 1.00 0.00 H new ATOM 0 HA GLU A 24 42.225 39.290 41.524 1.00 0.00 H new ATOM 0 HB2 GLU A 24 41.988 40.605 43.485 1.00 0.00 H new ATOM 0 HB3 GLU A 24 41.790 42.088 42.572 1.00 0.00 H new ATOM 0 HG2 GLU A 24 39.680 41.416 43.571 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.569 41.389 41.822 1.00 0.00 H new ATOM 376 N LYS A 25 40.603 39.720 39.678 1.00 0.00 N ATOM 377 CA LYS A 25 39.819 39.770 38.451 1.00 0.00 C ATOM 378 C LYS A 25 38.366 40.210 38.711 1.00 0.00 C ATOM 379 O LYS A 25 37.694 39.730 39.627 1.00 0.00 O ATOM 380 CB LYS A 25 39.861 38.411 37.732 1.00 0.00 C ATOM 381 CG LYS A 25 41.260 37.836 37.427 1.00 0.00 C ATOM 382 CD LYS A 25 41.800 36.940 38.557 1.00 0.00 C ATOM 383 CE LYS A 25 43.025 36.111 38.144 1.00 0.00 C ATOM 384 NZ LYS A 25 44.266 36.913 38.045 1.00 0.00 N ATOM 0 H LYS A 25 40.432 38.875 40.224 1.00 0.00 H new ATOM 0 HA LYS A 25 40.269 40.523 37.804 1.00 0.00 H new ATOM 0 HB2 LYS A 25 39.320 37.686 38.340 1.00 0.00 H new ATOM 0 HB3 LYS A 25 39.319 38.506 36.791 1.00 0.00 H new ATOM 0 HG2 LYS A 25 41.217 37.260 36.503 1.00 0.00 H new ATOM 0 HG3 LYS A 25 41.956 38.658 37.258 1.00 0.00 H new ATOM 0 HD2 LYS A 25 42.064 37.564 39.411 1.00 0.00 H new ATOM 0 HD3 LYS A 25 41.009 36.267 38.886 1.00 0.00 H new ATOM 0 HE2 LYS A 25 43.175 35.310 38.868 1.00 0.00 H new ATOM 0 HE3 LYS A 25 42.828 35.638 37.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 45.090 36.279 38.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 44.256 37.461 37.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 44.324 37.563 38.854 1.00 0.00 H new ATOM 398 N PHE A 26 37.870 41.092 37.847 1.00 0.00 N ATOM 399 CA PHE A 26 36.535 41.684 37.858 1.00 0.00 C ATOM 400 C PHE A 26 35.789 41.460 36.532 1.00 0.00 C ATOM 401 O PHE A 26 36.370 41.438 35.448 1.00 0.00 O ATOM 402 CB PHE A 26 36.666 43.191 38.132 1.00 0.00 C ATOM 403 CG PHE A 26 36.709 43.561 39.600 1.00 0.00 C ATOM 404 CD1 PHE A 26 37.909 43.457 40.327 1.00 0.00 C ATOM 405 CD2 PHE A 26 35.544 44.029 40.235 1.00 0.00 C ATOM 406 CE1 PHE A 26 37.945 43.836 41.679 1.00 0.00 C ATOM 407 CE2 PHE A 26 35.580 44.408 41.589 1.00 0.00 C ATOM 408 CZ PHE A 26 36.783 44.315 42.310 1.00 0.00 C ATOM 0 H PHE A 26 38.429 41.436 37.066 1.00 0.00 H new ATOM 0 HA PHE A 26 35.953 41.198 38.641 1.00 0.00 H new ATOM 0 HB2 PHE A 26 37.573 43.557 37.651 1.00 0.00 H new ATOM 0 HB3 PHE A 26 35.827 43.707 37.665 1.00 0.00 H new ATOM 0 HD1 PHE A 26 38.802 43.086 39.846 1.00 0.00 H new ATOM 0 HD2 PHE A 26 34.619 44.097 39.681 1.00 0.00 H new ATOM 0 HE1 PHE A 26 38.867 43.759 42.235 1.00 0.00 H new ATOM 0 HE2 PHE A 26 34.685 44.770 42.074 1.00 0.00 H new ATOM 0 HZ PHE A 26 36.815 44.611 43.348 1.00 0.00 H new ATOM 418 N GLN A 27 34.467 41.392 36.633 1.00 0.00 N ATOM 419 CA GLN A 27 33.499 41.423 35.548 1.00 0.00 C ATOM 420 C GLN A 27 32.649 42.690 35.725 1.00 0.00 C ATOM 421 O GLN A 27 32.161 42.977 36.817 1.00 0.00 O ATOM 422 CB GLN A 27 32.682 40.121 35.623 1.00 0.00 C ATOM 423 CG GLN A 27 31.492 40.049 34.656 1.00 0.00 C ATOM 424 CD GLN A 27 30.768 38.703 34.760 1.00 0.00 C ATOM 425 OE1 GLN A 27 29.714 38.575 35.370 1.00 0.00 O ATOM 426 NE2 GLN A 27 31.312 37.642 34.197 1.00 0.00 N ATOM 0 H GLN A 27 34.013 41.308 37.542 1.00 0.00 H new ATOM 0 HA GLN A 27 33.954 41.469 34.559 1.00 0.00 H new ATOM 0 HB2 GLN A 27 33.346 39.280 35.422 1.00 0.00 H new ATOM 0 HB3 GLN A 27 32.312 39.999 36.641 1.00 0.00 H new ATOM 0 HG2 GLN A 27 30.794 40.857 34.875 1.00 0.00 H new ATOM 0 HG3 GLN A 27 31.842 40.198 33.634 1.00 0.00 H new ATOM 0 HE21 GLN A 27 32.190 37.730 33.685 1.00 0.00 H new ATOM 0 HE22 GLN A 27 30.855 36.733 34.274 1.00 0.00 H new ATOM 435 N ILE A 28 32.479 43.460 34.652 1.00 0.00 N ATOM 436 CA ILE A 28 31.834 44.775 34.644 1.00 0.00 C ATOM 437 C ILE A 28 30.434 44.617 34.040 1.00 0.00 C ATOM 438 O ILE A 28 30.274 44.356 32.838 1.00 0.00 O ATOM 439 CB ILE A 28 32.702 45.797 33.869 1.00 0.00 C ATOM 440 CG1 ILE A 28 34.213 45.749 34.211 1.00 0.00 C ATOM 441 CG2 ILE A 28 32.148 47.221 34.065 1.00 0.00 C ATOM 442 CD1 ILE A 28 34.582 45.878 35.697 1.00 0.00 C ATOM 0 H ILE A 28 32.799 43.175 33.726 1.00 0.00 H new ATOM 0 HA ILE A 28 31.734 45.164 35.657 1.00 0.00 H new ATOM 0 HB ILE A 28 32.634 45.508 32.820 1.00 0.00 H new ATOM 0 HG12 ILE A 28 34.618 44.808 33.839 1.00 0.00 H new ATOM 0 HG13 ILE A 28 34.713 46.549 33.664 1.00 0.00 H new ATOM 0 HG21 ILE A 28 32.766 47.931 33.516 1.00 0.00 H new ATOM 0 HG22 ILE A 28 31.124 47.268 33.693 1.00 0.00 H new ATOM 0 HG23 ILE A 28 32.161 47.474 35.125 1.00 0.00 H new ATOM 0 HD11 ILE A 28 35.665 45.830 35.808 1.00 0.00 H new ATOM 0 HD12 ILE A 28 34.220 46.832 36.080 1.00 0.00 H new ATOM 0 HD13 ILE A 28 34.123 45.064 36.258 1.00 0.00 H new ATOM 454 N LEU A 29 29.420 44.741 34.896 1.00 0.00 N ATOM 455 CA LEU A 29 28.019 44.459 34.593 1.00 0.00 C ATOM 456 C LEU A 29 27.351 45.652 33.891 1.00 0.00 C ATOM 457 O LEU A 29 26.587 45.426 32.953 1.00 0.00 O ATOM 458 CB LEU A 29 27.283 44.061 35.892 1.00 0.00 C ATOM 459 CG LEU A 29 27.940 42.933 36.725 1.00 0.00 C ATOM 460 CD1 LEU A 29 27.087 42.630 37.966 1.00 0.00 C ATOM 461 CD2 LEU A 29 28.130 41.647 35.908 1.00 0.00 C ATOM 0 H LEU A 29 29.559 45.053 35.857 1.00 0.00 H new ATOM 0 HA LEU A 29 27.962 43.622 33.897 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.194 44.946 36.522 1.00 0.00 H new ATOM 0 HB3 LEU A 29 26.271 43.752 35.632 1.00 0.00 H new ATOM 0 HG LEU A 29 28.926 43.286 37.027 1.00 0.00 H new ATOM 0 HD11 LEU A 29 27.557 41.835 38.545 1.00 0.00 H new ATOM 0 HD12 LEU A 29 27.006 43.527 38.580 1.00 0.00 H new ATOM 0 HD13 LEU A 29 26.092 42.312 37.655 1.00 0.00 H new ATOM 0 HD21 LEU A 29 28.594 40.884 36.533 1.00 0.00 H new ATOM 0 HD22 LEU A 29 27.161 41.291 35.560 1.00 0.00 H new ATOM 0 HD23 LEU A 29 28.771 41.852 35.050 1.00 0.00 H new ATOM 473 N ASN A 30 27.691 46.892 34.281 1.00 0.00 N ATOM 474 CA ASN A 30 27.324 48.144 33.598 1.00 0.00 C ATOM 475 C ASN A 30 28.088 49.386 34.137 1.00 0.00 C ATOM 476 O ASN A 30 28.401 49.493 35.326 1.00 0.00 O ATOM 477 CB ASN A 30 25.798 48.372 33.622 1.00 0.00 C ATOM 478 CG ASN A 30 25.371 49.344 32.519 1.00 0.00 C ATOM 479 OD1 ASN A 30 25.522 49.070 31.337 1.00 0.00 O ATOM 480 ND2 ASN A 30 24.859 50.512 32.855 1.00 0.00 N ATOM 0 H ASN A 30 28.253 47.056 35.116 1.00 0.00 H new ATOM 0 HA ASN A 30 27.636 48.023 32.561 1.00 0.00 H new ATOM 0 HB2 ASN A 30 25.282 47.420 33.493 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.501 48.766 34.594 1.00 0.00 H new ATOM 0 HD21 ASN A 30 24.592 51.179 32.131 1.00 0.00 H new ATOM 0 HD22 ASN A 30 24.730 50.748 33.839 1.00 0.00 H new ATOM 487 N SER A 31 28.423 50.328 33.251 1.00 0.00 N ATOM 488 CA SER A 31 29.218 51.545 33.551 1.00 0.00 C ATOM 489 C SER A 31 28.340 52.766 33.892 1.00 0.00 C ATOM 490 O SER A 31 28.370 53.816 33.253 1.00 0.00 O ATOM 491 CB SER A 31 30.161 51.842 32.386 1.00 0.00 C ATOM 492 OG SER A 31 31.002 50.721 32.187 1.00 0.00 O ATOM 0 H SER A 31 28.145 50.273 32.271 1.00 0.00 H new ATOM 0 HA SER A 31 29.806 51.345 34.447 1.00 0.00 H new ATOM 0 HB2 SER A 31 29.590 52.052 31.481 1.00 0.00 H new ATOM 0 HB3 SER A 31 30.758 52.729 32.599 1.00 0.00 H new ATOM 0 HG SER A 31 31.612 50.898 31.440 1.00 0.00 H new ATOM 498 N SER A 32 27.489 52.585 34.890 1.00 0.00 N ATOM 499 CA SER A 32 26.194 53.266 35.023 1.00 0.00 C ATOM 500 C SER A 32 26.245 54.707 35.517 1.00 0.00 C ATOM 501 O SER A 32 25.409 55.523 35.124 1.00 0.00 O ATOM 502 CB SER A 32 25.383 52.435 36.005 1.00 0.00 C ATOM 503 OG SER A 32 25.466 51.112 35.544 1.00 0.00 O ATOM 0 H SER A 32 27.679 51.941 35.658 1.00 0.00 H new ATOM 0 HA SER A 32 25.761 53.339 34.025 1.00 0.00 H new ATOM 0 HB2 SER A 32 25.782 52.523 37.015 1.00 0.00 H new ATOM 0 HB3 SER A 32 24.347 52.773 36.041 1.00 0.00 H new ATOM 0 HG SER A 32 24.972 50.522 36.151 1.00 0.00 H new ATOM 509 N GLU A 33 27.217 55.019 36.376 1.00 0.00 N ATOM 510 CA GLU A 33 27.453 56.356 36.923 1.00 0.00 C ATOM 511 C GLU A 33 28.846 56.890 36.514 1.00 0.00 C ATOM 512 O GLU A 33 29.232 57.985 36.929 1.00 0.00 O ATOM 513 CB GLU A 33 27.232 56.310 38.452 1.00 0.00 C ATOM 514 CG GLU A 33 25.761 56.018 38.799 1.00 0.00 C ATOM 515 CD GLU A 33 25.540 55.823 40.305 1.00 0.00 C ATOM 516 OE1 GLU A 33 25.584 56.824 41.059 1.00 0.00 O ATOM 517 OE2 GLU A 33 25.283 54.673 40.729 1.00 0.00 O ATOM 0 H GLU A 33 27.882 54.327 36.721 1.00 0.00 H new ATOM 0 HA GLU A 33 26.742 57.069 36.504 1.00 0.00 H new ATOM 0 HB2 GLU A 33 27.870 55.542 38.890 1.00 0.00 H new ATOM 0 HB3 GLU A 33 27.529 57.262 38.893 1.00 0.00 H new ATOM 0 HG2 GLU A 33 25.138 56.840 38.447 1.00 0.00 H new ATOM 0 HG3 GLU A 33 25.437 55.123 38.269 1.00 0.00 H new ATOM 524 N GLY A 34 29.592 56.140 35.679 1.00 0.00 N ATOM 525 CA GLY A 34 30.857 56.521 35.020 1.00 0.00 C ATOM 526 C GLY A 34 32.076 56.532 35.947 1.00 0.00 C ATOM 527 O GLY A 34 33.079 55.860 35.700 1.00 0.00 O ATOM 0 H GLY A 34 29.309 55.192 35.431 1.00 0.00 H new ATOM 0 HA2 GLY A 34 31.047 55.830 34.199 1.00 0.00 H new ATOM 0 HA3 GLY A 34 30.740 57.512 34.582 1.00 0.00 H new ATOM 531 N ASP A 35 31.968 57.305 37.019 1.00 0.00 N ATOM 532 CA ASP A 35 32.910 57.403 38.130 1.00 0.00 C ATOM 533 C ASP A 35 32.775 56.202 39.081 1.00 0.00 C ATOM 534 O ASP A 35 33.783 55.721 39.597 1.00 0.00 O ATOM 535 CB ASP A 35 32.634 58.737 38.840 1.00 0.00 C ATOM 536 CG ASP A 35 33.659 59.091 39.930 1.00 0.00 C ATOM 537 OD1 ASP A 35 34.876 59.102 39.631 1.00 0.00 O ATOM 538 OD2 ASP A 35 33.231 59.438 41.056 1.00 0.00 O ATOM 0 H ASP A 35 31.166 57.923 37.146 1.00 0.00 H new ATOM 0 HA ASP A 35 33.939 57.380 37.770 1.00 0.00 H new ATOM 0 HB2 ASP A 35 32.619 59.535 38.098 1.00 0.00 H new ATOM 0 HB3 ASP A 35 31.641 58.699 39.288 1.00 0.00 H new ATOM 543 N TRP A 36 31.552 55.670 39.239 1.00 0.00 N ATOM 544 CA TRP A 36 31.264 54.403 39.921 1.00 0.00 C ATOM 545 C TRP A 36 30.544 53.421 38.987 1.00 0.00 C ATOM 546 O TRP A 36 29.579 53.776 38.301 1.00 0.00 O ATOM 547 CB TRP A 36 30.423 54.644 41.185 1.00 0.00 C ATOM 548 CG TRP A 36 31.099 55.424 42.267 1.00 0.00 C ATOM 549 CD1 TRP A 36 31.173 56.771 42.323 1.00 0.00 C ATOM 550 CD2 TRP A 36 31.820 54.940 43.444 1.00 0.00 C ATOM 551 NE1 TRP A 36 31.901 57.155 43.428 1.00 0.00 N ATOM 552 CE2 TRP A 36 32.336 56.069 44.152 1.00 0.00 C ATOM 553 CE3 TRP A 36 32.098 53.665 43.987 1.00 0.00 C ATOM 554 CZ2 TRP A 36 33.104 55.942 45.319 1.00 0.00 C ATOM 555 CZ3 TRP A 36 32.864 53.528 45.160 1.00 0.00 C ATOM 556 CH2 TRP A 36 33.372 54.659 45.822 1.00 0.00 C ATOM 0 H TRP A 36 30.712 56.126 38.883 1.00 0.00 H new ATOM 0 HA TRP A 36 32.217 53.961 40.213 1.00 0.00 H new ATOM 0 HB2 TRP A 36 29.511 55.167 40.899 1.00 0.00 H new ATOM 0 HB3 TRP A 36 30.123 53.678 41.591 1.00 0.00 H new ATOM 0 HD1 TRP A 36 30.728 57.447 41.608 1.00 0.00 H new ATOM 0 HE1 TRP A 36 32.094 58.125 43.678 1.00 0.00 H new ATOM 0 HE3 TRP A 36 31.717 52.783 43.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 33.484 56.818 45.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 33.064 52.543 45.556 1.00 0.00 H new ATOM 0 HH2 TRP A 36 33.967 54.541 46.716 1.00 0.00 H new ATOM 567 N TRP A 37 31.012 52.173 38.958 1.00 0.00 N ATOM 568 CA TRP A 37 30.500 51.105 38.094 1.00 0.00 C ATOM 569 C TRP A 37 29.783 50.006 38.882 1.00 0.00 C ATOM 570 O TRP A 37 30.132 49.726 40.028 1.00 0.00 O ATOM 571 CB TRP A 37 31.677 50.480 37.335 1.00 0.00 C ATOM 572 CG TRP A 37 32.371 51.316 36.307 1.00 0.00 C ATOM 573 CD1 TRP A 37 32.035 52.564 35.912 1.00 0.00 C ATOM 574 CD2 TRP A 37 33.536 50.951 35.507 1.00 0.00 C ATOM 575 NE1 TRP A 37 32.893 52.983 34.921 1.00 0.00 N ATOM 576 CE2 TRP A 37 33.822 52.018 34.607 1.00 0.00 C ATOM 577 CE3 TRP A 37 34.381 49.824 35.455 1.00 0.00 C ATOM 578 CZ2 TRP A 37 34.876 51.965 33.686 1.00 0.00 C ATOM 579 CZ3 TRP A 37 35.444 49.756 34.535 1.00 0.00 C ATOM 580 CH2 TRP A 37 35.688 50.819 33.647 1.00 0.00 C ATOM 0 H TRP A 37 31.782 51.866 39.553 1.00 0.00 H new ATOM 0 HA TRP A 37 29.775 51.549 37.412 1.00 0.00 H new ATOM 0 HB2 TRP A 37 32.420 50.168 38.069 1.00 0.00 H new ATOM 0 HB3 TRP A 37 31.316 49.577 36.843 1.00 0.00 H new ATOM 0 HD1 TRP A 37 31.217 53.144 36.313 1.00 0.00 H new ATOM 0 HE1 TRP A 37 32.846 53.898 34.473 1.00 0.00 H new ATOM 0 HE3 TRP A 37 34.210 49.000 36.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 35.062 52.792 33.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 36.077 48.881 34.511 1.00 0.00 H new ATOM 0 HH2 TRP A 37 36.498 50.754 32.936 1.00 0.00 H new ATOM 591 N GLU A 38 28.836 49.334 38.229 1.00 0.00 N ATOM 592 CA GLU A 38 28.196 48.118 38.717 1.00 0.00 C ATOM 593 C GLU A 38 28.957 46.903 38.179 1.00 0.00 C ATOM 594 O GLU A 38 29.095 46.698 36.972 1.00 0.00 O ATOM 595 CB GLU A 38 26.718 48.090 38.319 1.00 0.00 C ATOM 596 CG GLU A 38 25.924 49.117 39.135 1.00 0.00 C ATOM 597 CD GLU A 38 24.478 49.189 38.641 1.00 0.00 C ATOM 598 OE1 GLU A 38 24.256 49.812 37.575 1.00 0.00 O ATOM 599 OE2 GLU A 38 23.579 48.619 39.304 1.00 0.00 O ATOM 0 H GLU A 38 28.484 49.631 37.319 1.00 0.00 H new ATOM 0 HA GLU A 38 28.230 48.093 39.806 1.00 0.00 H new ATOM 0 HB2 GLU A 38 26.617 48.305 37.255 1.00 0.00 H new ATOM 0 HB3 GLU A 38 26.310 47.093 38.482 1.00 0.00 H new ATOM 0 HG2 GLU A 38 25.941 48.844 40.190 1.00 0.00 H new ATOM 0 HG3 GLU A 38 26.393 50.098 39.052 1.00 0.00 H new ATOM 606 N VAL A 39 29.509 46.149 39.119 1.00 0.00 N ATOM 607 CA VAL A 39 30.564 45.161 38.900 1.00 0.00 C ATOM 608 C VAL A 39 30.363 43.931 39.781 1.00 0.00 C ATOM 609 O VAL A 39 29.541 43.916 40.697 1.00 0.00 O ATOM 610 CB VAL A 39 31.976 45.762 39.139 1.00 0.00 C ATOM 611 CG1 VAL A 39 32.237 46.986 38.249 1.00 0.00 C ATOM 612 CG2 VAL A 39 32.245 46.153 40.604 1.00 0.00 C ATOM 0 H VAL A 39 29.224 46.209 40.097 1.00 0.00 H new ATOM 0 HA VAL A 39 30.498 44.856 37.856 1.00 0.00 H new ATOM 0 HB VAL A 39 32.661 44.956 38.875 1.00 0.00 H new ATOM 0 HG11 VAL A 39 33.236 47.375 38.449 1.00 0.00 H new ATOM 0 HG12 VAL A 39 32.163 46.696 37.201 1.00 0.00 H new ATOM 0 HG13 VAL A 39 31.498 47.757 38.465 1.00 0.00 H new ATOM 0 HG21 VAL A 39 33.250 46.565 40.692 1.00 0.00 H new ATOM 0 HG22 VAL A 39 31.518 46.901 40.920 1.00 0.00 H new ATOM 0 HG23 VAL A 39 32.158 45.271 41.238 1.00 0.00 H new ATOM 622 N ARG A 40 31.185 42.920 39.533 1.00 0.00 N ATOM 623 CA ARG A 40 31.434 41.822 40.446 1.00 0.00 C ATOM 624 C ARG A 40 32.878 41.352 40.343 1.00 0.00 C ATOM 625 O ARG A 40 33.525 41.457 39.302 1.00 0.00 O ATOM 626 CB ARG A 40 30.427 40.682 40.214 1.00 0.00 C ATOM 627 CG ARG A 40 30.533 39.971 38.855 1.00 0.00 C ATOM 628 CD ARG A 40 29.606 38.746 38.766 1.00 0.00 C ATOM 629 NE ARG A 40 28.190 39.078 39.024 1.00 0.00 N ATOM 630 CZ ARG A 40 27.126 38.840 38.261 1.00 0.00 C ATOM 631 NH1 ARG A 40 27.212 38.367 37.035 1.00 0.00 N ATOM 632 NH2 ARG A 40 25.928 39.091 38.747 1.00 0.00 N ATOM 0 H ARG A 40 31.711 42.843 38.663 1.00 0.00 H new ATOM 0 HA ARG A 40 31.287 42.174 41.467 1.00 0.00 H new ATOM 0 HB2 ARG A 40 30.556 39.941 41.003 1.00 0.00 H new ATOM 0 HB3 ARG A 40 29.419 41.085 40.316 1.00 0.00 H new ATOM 0 HG2 ARG A 40 30.283 40.673 38.059 1.00 0.00 H new ATOM 0 HG3 ARG A 40 31.564 39.657 38.690 1.00 0.00 H new ATOM 0 HD2 ARG A 40 29.695 38.300 37.775 1.00 0.00 H new ATOM 0 HD3 ARG A 40 29.935 37.995 39.484 1.00 0.00 H new ATOM 0 HE ARG A 40 28.002 39.554 39.906 1.00 0.00 H new ATOM 0 HH11 ARG A 40 28.126 38.166 36.629 1.00 0.00 H new ATOM 0 HH12 ARG A 40 26.365 38.202 36.491 1.00 0.00 H new ATOM 0 HH21 ARG A 40 25.828 39.461 39.692 1.00 0.00 H new ATOM 0 HH22 ARG A 40 25.100 38.915 38.178 1.00 0.00 H new ATOM 646 N SER A 41 33.372 40.775 41.421 1.00 0.00 N ATOM 647 CA SER A 41 34.488 39.848 41.383 1.00 0.00 C ATOM 648 C SER A 41 34.200 38.714 40.385 1.00 0.00 C ATOM 649 O SER A 41 33.180 38.030 40.472 1.00 0.00 O ATOM 650 CB SER A 41 34.682 39.278 42.789 1.00 0.00 C ATOM 651 OG SER A 41 35.472 38.113 42.748 1.00 0.00 O ATOM 0 H SER A 41 33.006 40.938 42.359 1.00 0.00 H new ATOM 0 HA SER A 41 35.393 40.362 41.060 1.00 0.00 H new ATOM 0 HB2 SER A 41 35.157 40.023 43.427 1.00 0.00 H new ATOM 0 HB3 SER A 41 33.712 39.051 43.232 1.00 0.00 H new ATOM 0 HG SER A 41 36.412 38.350 42.890 1.00 0.00 H new ATOM 657 N LEU A 42 35.125 38.509 39.449 1.00 0.00 N ATOM 658 CA LEU A 42 35.149 37.331 38.584 1.00 0.00 C ATOM 659 C LEU A 42 35.553 36.078 39.386 1.00 0.00 C ATOM 660 O LEU A 42 34.986 35.002 39.190 1.00 0.00 O ATOM 661 CB LEU A 42 36.085 37.633 37.397 1.00 0.00 C ATOM 662 CG LEU A 42 36.162 36.523 36.331 1.00 0.00 C ATOM 663 CD1 LEU A 42 34.781 36.177 35.754 1.00 0.00 C ATOM 664 CD2 LEU A 42 37.105 36.974 35.204 1.00 0.00 C ATOM 0 H LEU A 42 35.887 39.163 39.268 1.00 0.00 H new ATOM 0 HA LEU A 42 34.158 37.111 38.187 1.00 0.00 H new ATOM 0 HB2 LEU A 42 35.754 38.554 36.918 1.00 0.00 H new ATOM 0 HB3 LEU A 42 37.088 37.817 37.782 1.00 0.00 H new ATOM 0 HG LEU A 42 36.546 35.621 36.808 1.00 0.00 H new ATOM 0 HD11 LEU A 42 34.886 35.390 35.007 1.00 0.00 H new ATOM 0 HD12 LEU A 42 34.128 35.832 36.556 1.00 0.00 H new ATOM 0 HD13 LEU A 42 34.348 37.063 35.289 1.00 0.00 H new ATOM 0 HD21 LEU A 42 37.165 36.194 34.445 1.00 0.00 H new ATOM 0 HD22 LEU A 42 36.722 37.889 34.753 1.00 0.00 H new ATOM 0 HD23 LEU A 42 38.098 37.159 35.613 1.00 0.00 H new ATOM 676 N THR A 43 36.507 36.239 40.311 1.00 0.00 N ATOM 677 CA THR A 43 37.113 35.201 41.163 1.00 0.00 C ATOM 678 C THR A 43 36.134 34.479 42.083 1.00 0.00 C ATOM 679 O THR A 43 36.222 33.255 42.181 1.00 0.00 O ATOM 680 CB THR A 43 38.230 35.876 41.946 1.00 0.00 C ATOM 681 OG1 THR A 43 39.176 36.186 40.964 1.00 0.00 O ATOM 682 CG2 THR A 43 38.939 35.071 43.034 1.00 0.00 C ATOM 0 H THR A 43 36.905 37.159 40.499 1.00 0.00 H new ATOM 0 HA THR A 43 37.491 34.402 40.525 1.00 0.00 H new ATOM 0 HB THR A 43 37.782 36.700 42.501 1.00 0.00 H new ATOM 0 HG1 THR A 43 39.645 37.010 41.211 1.00 0.00 H new ATOM 0 HG21 THR A 43 39.708 35.687 43.500 1.00 0.00 H new ATOM 0 HG22 THR A 43 38.215 34.762 43.788 1.00 0.00 H new ATOM 0 HG23 THR A 43 39.401 34.189 42.591 1.00 0.00 H new ATOM 690 N THR A 44 35.213 35.191 42.747 1.00 0.00 N ATOM 691 CA THR A 44 34.222 34.626 43.683 1.00 0.00 C ATOM 692 C THR A 44 32.794 34.720 43.149 1.00 0.00 C ATOM 693 O THR A 44 32.000 33.812 43.388 1.00 0.00 O ATOM 694 CB THR A 44 34.286 35.338 45.039 1.00 0.00 C ATOM 695 OG1 THR A 44 33.928 36.688 44.869 1.00 0.00 O ATOM 696 CG2 THR A 44 35.667 35.268 45.698 1.00 0.00 C ATOM 0 H THR A 44 35.132 36.203 42.648 1.00 0.00 H new ATOM 0 HA THR A 44 34.479 33.573 43.798 1.00 0.00 H new ATOM 0 HB THR A 44 33.590 34.822 45.700 1.00 0.00 H new ATOM 0 HG1 THR A 44 34.549 37.115 44.242 1.00 0.00 H new ATOM 0 HG21 THR A 44 35.641 35.792 46.654 1.00 0.00 H new ATOM 0 HG22 THR A 44 35.939 34.225 45.863 1.00 0.00 H new ATOM 0 HG23 THR A 44 36.405 35.737 45.047 1.00 0.00 H new ATOM 704 N GLY A 45 32.467 35.805 42.437 1.00 0.00 N ATOM 705 CA GLY A 45 31.106 36.194 42.040 1.00 0.00 C ATOM 706 C GLY A 45 30.488 37.288 42.925 1.00 0.00 C ATOM 707 O GLY A 45 29.377 37.737 42.638 1.00 0.00 O ATOM 0 H GLY A 45 33.172 36.464 42.107 1.00 0.00 H new ATOM 0 HA2 GLY A 45 31.125 36.543 41.008 1.00 0.00 H new ATOM 0 HA3 GLY A 45 30.464 35.313 42.067 1.00 0.00 H new ATOM 711 N GLU A 46 31.183 37.733 43.980 1.00 0.00 N ATOM 712 CA GLU A 46 30.725 38.797 44.881 1.00 0.00 C ATOM 713 C GLU A 46 30.493 40.096 44.092 1.00 0.00 C ATOM 714 O GLU A 46 31.388 40.559 43.382 1.00 0.00 O ATOM 715 CB GLU A 46 31.733 38.995 46.027 1.00 0.00 C ATOM 716 CG GLU A 46 31.221 39.928 47.132 1.00 0.00 C ATOM 717 CD GLU A 46 30.052 39.312 47.914 1.00 0.00 C ATOM 718 OE1 GLU A 46 28.886 39.510 47.504 1.00 0.00 O ATOM 719 OE2 GLU A 46 30.298 38.630 48.935 1.00 0.00 O ATOM 0 H GLU A 46 32.096 37.356 44.235 1.00 0.00 H new ATOM 0 HA GLU A 46 29.774 38.507 45.327 1.00 0.00 H new ATOM 0 HB2 GLU A 46 31.972 38.025 46.462 1.00 0.00 H new ATOM 0 HB3 GLU A 46 32.660 39.399 45.620 1.00 0.00 H new ATOM 0 HG2 GLU A 46 32.036 40.156 47.819 1.00 0.00 H new ATOM 0 HG3 GLU A 46 30.903 40.872 46.690 1.00 0.00 H new ATOM 726 N THR A 47 29.280 40.653 44.191 1.00 0.00 N ATOM 727 CA THR A 47 28.737 41.724 43.332 1.00 0.00 C ATOM 728 C THR A 47 28.552 43.005 44.147 1.00 0.00 C ATOM 729 O THR A 47 28.234 42.958 45.336 1.00 0.00 O ATOM 730 CB THR A 47 27.408 41.259 42.706 1.00 0.00 C ATOM 731 OG1 THR A 47 27.644 40.190 41.818 1.00 0.00 O ATOM 732 CG2 THR A 47 26.684 42.307 41.865 1.00 0.00 C ATOM 0 H THR A 47 28.614 40.358 44.906 1.00 0.00 H new ATOM 0 HA THR A 47 29.438 41.940 42.526 1.00 0.00 H new ATOM 0 HB THR A 47 26.790 41.003 43.567 1.00 0.00 H new ATOM 0 HG1 THR A 47 28.141 39.484 42.281 1.00 0.00 H new ATOM 0 HG21 THR A 47 25.761 41.882 41.470 1.00 0.00 H new ATOM 0 HG22 THR A 47 26.449 43.172 42.485 1.00 0.00 H new ATOM 0 HG23 THR A 47 27.324 42.616 41.039 1.00 0.00 H new ATOM 740 N GLY A 48 28.741 44.152 43.492 1.00 0.00 N ATOM 741 CA GLY A 48 28.623 45.492 44.068 1.00 0.00 C ATOM 742 C GLY A 48 29.196 46.595 43.178 1.00 0.00 C ATOM 743 O GLY A 48 29.028 46.590 41.955 1.00 0.00 O ATOM 0 H GLY A 48 28.991 44.173 42.503 1.00 0.00 H new ATOM 0 HA2 GLY A 48 27.571 45.703 44.262 1.00 0.00 H new ATOM 0 HA3 GLY A 48 29.135 45.511 45.030 1.00 0.00 H new ATOM 747 N TYR A 49 29.850 47.564 43.817 1.00 0.00 N ATOM 748 CA TYR A 49 30.416 48.759 43.184 1.00 0.00 C ATOM 749 C TYR A 49 31.948 48.856 43.313 1.00 0.00 C ATOM 750 O TYR A 49 32.556 48.225 44.173 1.00 0.00 O ATOM 751 CB TYR A 49 29.760 49.999 43.810 1.00 0.00 C ATOM 752 CG TYR A 49 28.403 50.343 43.235 1.00 0.00 C ATOM 753 CD1 TYR A 49 27.233 49.780 43.780 1.00 0.00 C ATOM 754 CD2 TYR A 49 28.313 51.260 42.171 1.00 0.00 C ATOM 755 CE1 TYR A 49 25.973 50.152 43.280 1.00 0.00 C ATOM 756 CE2 TYR A 49 27.055 51.652 41.678 1.00 0.00 C ATOM 757 CZ TYR A 49 25.880 51.105 42.241 1.00 0.00 C ATOM 758 OH TYR A 49 24.658 51.504 41.804 1.00 0.00 O ATOM 0 H TYR A 49 30.007 47.540 44.825 1.00 0.00 H new ATOM 0 HA TYR A 49 30.206 48.695 42.116 1.00 0.00 H new ATOM 0 HB2 TYR A 49 29.657 49.838 44.883 1.00 0.00 H new ATOM 0 HB3 TYR A 49 30.425 50.853 43.678 1.00 0.00 H new ATOM 0 HD1 TYR A 49 27.304 49.061 44.583 1.00 0.00 H new ATOM 0 HD2 TYR A 49 29.213 51.664 41.731 1.00 0.00 H new ATOM 0 HE1 TYR A 49 25.077 49.710 43.690 1.00 0.00 H new ATOM 0 HE2 TYR A 49 26.988 52.368 40.872 1.00 0.00 H new ATOM 0 HH TYR A 49 24.766 52.163 41.087 1.00 0.00 H new ATOM 768 N ILE A 50 32.551 49.735 42.507 1.00 0.00 N ATOM 769 CA ILE A 50 33.941 50.225 42.605 1.00 0.00 C ATOM 770 C ILE A 50 33.994 51.664 42.060 1.00 0.00 C ATOM 771 O ILE A 50 33.143 51.992 41.223 1.00 0.00 O ATOM 772 CB ILE A 50 34.960 49.324 41.855 1.00 0.00 C ATOM 773 CG1 ILE A 50 34.644 49.039 40.364 1.00 0.00 C ATOM 774 CG2 ILE A 50 35.165 47.995 42.603 1.00 0.00 C ATOM 775 CD1 ILE A 50 35.143 50.104 39.378 1.00 0.00 C ATOM 0 H ILE A 50 32.057 50.153 41.719 1.00 0.00 H new ATOM 0 HA ILE A 50 34.232 50.198 43.655 1.00 0.00 H new ATOM 0 HB ILE A 50 35.877 49.914 41.846 1.00 0.00 H new ATOM 0 HG12 ILE A 50 35.084 48.080 40.092 1.00 0.00 H new ATOM 0 HG13 ILE A 50 33.565 48.938 40.250 1.00 0.00 H new ATOM 0 HG21 ILE A 50 35.882 47.379 42.061 1.00 0.00 H new ATOM 0 HG22 ILE A 50 35.544 48.196 43.605 1.00 0.00 H new ATOM 0 HG23 ILE A 50 34.214 47.467 42.674 1.00 0.00 H new ATOM 0 HD11 ILE A 50 34.874 49.814 38.362 1.00 0.00 H new ATOM 0 HD12 ILE A 50 34.684 51.063 39.615 1.00 0.00 H new ATOM 0 HD13 ILE A 50 36.227 50.192 39.455 1.00 0.00 H new ATOM 787 N PRO A 51 34.956 52.511 42.481 1.00 0.00 N ATOM 788 CA PRO A 51 35.310 53.712 41.747 1.00 0.00 C ATOM 789 C PRO A 51 36.254 53.315 40.604 1.00 0.00 C ATOM 790 O PRO A 51 37.260 52.631 40.799 1.00 0.00 O ATOM 791 CB PRO A 51 35.956 54.643 42.766 1.00 0.00 C ATOM 792 CG PRO A 51 36.608 53.686 43.763 1.00 0.00 C ATOM 793 CD PRO A 51 35.803 52.382 43.660 1.00 0.00 C ATOM 0 HA PRO A 51 34.461 54.219 41.288 1.00 0.00 H new ATOM 0 HB2 PRO A 51 36.691 55.299 42.300 1.00 0.00 H new ATOM 0 HB3 PRO A 51 35.218 55.283 43.249 1.00 0.00 H new ATOM 0 HG2 PRO A 51 37.658 53.520 43.520 1.00 0.00 H new ATOM 0 HG3 PRO A 51 36.575 54.090 44.775 1.00 0.00 H new ATOM 0 HD2 PRO A 51 36.467 51.522 43.569 1.00 0.00 H new ATOM 0 HD3 PRO A 51 35.201 52.226 44.555 1.00 0.00 H new ATOM 801 N SER A 52 35.873 53.668 39.382 1.00 0.00 N ATOM 802 CA SER A 52 36.543 53.251 38.146 1.00 0.00 C ATOM 803 C SER A 52 38.023 53.670 38.012 1.00 0.00 C ATOM 804 O SER A 52 38.788 52.847 37.489 1.00 0.00 O ATOM 805 CB SER A 52 35.735 53.718 36.929 1.00 0.00 C ATOM 806 OG SER A 52 35.883 55.102 36.697 1.00 0.00 O ATOM 0 H SER A 52 35.067 54.270 39.214 1.00 0.00 H new ATOM 0 HA SER A 52 36.575 52.162 38.193 1.00 0.00 H new ATOM 0 HB2 SER A 52 36.057 53.166 36.046 1.00 0.00 H new ATOM 0 HB3 SER A 52 34.681 53.487 37.083 1.00 0.00 H new ATOM 0 HG SER A 52 35.037 55.471 36.367 1.00 0.00 H new ATOM 812 N PRO A 53 38.480 54.864 38.474 1.00 0.00 N ATOM 813 CA PRO A 53 39.876 55.276 38.301 1.00 0.00 C ATOM 814 C PRO A 53 40.879 54.438 39.107 1.00 0.00 C ATOM 815 O PRO A 53 42.067 54.441 38.796 1.00 0.00 O ATOM 816 CB PRO A 53 39.947 56.744 38.741 1.00 0.00 C ATOM 817 CG PRO A 53 38.502 57.226 38.698 1.00 0.00 C ATOM 818 CD PRO A 53 37.732 55.968 39.078 1.00 0.00 C ATOM 0 HA PRO A 53 40.160 55.130 37.259 1.00 0.00 H new ATOM 0 HB2 PRO A 53 40.367 56.838 39.742 1.00 0.00 H new ATOM 0 HB3 PRO A 53 40.580 57.328 38.073 1.00 0.00 H new ATOM 0 HG2 PRO A 53 38.323 58.040 39.400 1.00 0.00 H new ATOM 0 HG3 PRO A 53 38.224 57.591 37.709 1.00 0.00 H new ATOM 0 HD2 PRO A 53 37.670 55.856 40.160 1.00 0.00 H new ATOM 0 HD3 PRO A 53 36.710 56.003 38.702 1.00 0.00 H new ATOM 826 N TYR A 54 40.411 53.734 40.143 1.00 0.00 N ATOM 827 CA TYR A 54 41.264 53.022 41.098 1.00 0.00 C ATOM 828 C TYR A 54 41.495 51.564 40.682 1.00 0.00 C ATOM 829 O TYR A 54 42.598 51.040 40.842 1.00 0.00 O ATOM 830 CB TYR A 54 40.606 53.072 42.488 1.00 0.00 C ATOM 831 CG TYR A 54 40.554 54.442 43.145 1.00 0.00 C ATOM 832 CD1 TYR A 54 39.624 55.407 42.712 1.00 0.00 C ATOM 833 CD2 TYR A 54 41.412 54.739 44.223 1.00 0.00 C ATOM 834 CE1 TYR A 54 39.540 56.656 43.355 1.00 0.00 C ATOM 835 CE2 TYR A 54 41.327 55.981 44.881 1.00 0.00 C ATOM 836 CZ TYR A 54 40.387 56.944 44.447 1.00 0.00 C ATOM 837 OH TYR A 54 40.285 58.147 45.076 1.00 0.00 O ATOM 0 H TYR A 54 39.415 53.642 40.344 1.00 0.00 H new ATOM 0 HA TYR A 54 42.238 53.512 41.120 1.00 0.00 H new ATOM 0 HB2 TYR A 54 39.588 52.692 42.401 1.00 0.00 H new ATOM 0 HB3 TYR A 54 41.144 52.393 43.149 1.00 0.00 H new ATOM 0 HD1 TYR A 54 38.971 55.187 41.881 1.00 0.00 H new ATOM 0 HD2 TYR A 54 42.139 54.009 44.546 1.00 0.00 H new ATOM 0 HE1 TYR A 54 38.828 57.393 43.013 1.00 0.00 H new ATOM 0 HE2 TYR A 54 41.978 56.197 45.715 1.00 0.00 H new ATOM 0 HH TYR A 54 40.936 58.190 45.807 1.00 0.00 H new ATOM 847 N LEU A 55 40.416 50.865 40.305 1.00 0.00 N ATOM 848 CA LEU A 55 40.498 49.550 39.657 1.00 0.00 C ATOM 849 C LEU A 55 41.485 49.579 38.478 1.00 0.00 C ATOM 850 O LEU A 55 42.314 48.681 38.341 1.00 0.00 O ATOM 851 CB LEU A 55 39.087 49.142 39.189 1.00 0.00 C ATOM 852 CG LEU A 55 39.030 47.741 38.542 1.00 0.00 C ATOM 853 CD1 LEU A 55 39.135 46.631 39.595 1.00 0.00 C ATOM 854 CD2 LEU A 55 37.730 47.584 37.741 1.00 0.00 C ATOM 0 H LEU A 55 39.461 51.196 40.441 1.00 0.00 H new ATOM 0 HA LEU A 55 40.871 48.814 40.369 1.00 0.00 H new ATOM 0 HB2 LEU A 55 38.409 49.167 40.042 1.00 0.00 H new ATOM 0 HB3 LEU A 55 38.724 49.879 38.472 1.00 0.00 H new ATOM 0 HG LEU A 55 39.883 47.648 37.870 1.00 0.00 H new ATOM 0 HD11 LEU A 55 39.091 45.659 39.104 1.00 0.00 H new ATOM 0 HD12 LEU A 55 40.080 46.725 40.130 1.00 0.00 H new ATOM 0 HD13 LEU A 55 38.308 46.719 40.300 1.00 0.00 H new ATOM 0 HD21 LEU A 55 37.699 46.593 37.288 1.00 0.00 H new ATOM 0 HD22 LEU A 55 36.876 47.706 38.407 1.00 0.00 H new ATOM 0 HD23 LEU A 55 37.691 48.342 36.958 1.00 0.00 H new ATOM 866 N ALA A 56 41.389 50.610 37.633 1.00 0.00 N ATOM 867 CA ALA A 56 42.283 50.870 36.504 1.00 0.00 C ATOM 868 C ALA A 56 43.548 51.680 36.888 1.00 0.00 C ATOM 869 O ALA A 56 43.701 51.996 38.058 1.00 0.00 O ATOM 870 CB ALA A 56 41.452 51.543 35.402 1.00 0.00 C ATOM 0 H ALA A 56 40.656 51.314 37.722 1.00 0.00 H new ATOM 0 HA ALA A 56 42.688 49.926 36.140 1.00 0.00 H new ATOM 0 HB1 ALA A 56 42.089 51.752 34.542 1.00 0.00 H new ATOM 0 HB2 ALA A 56 40.642 50.879 35.101 1.00 0.00 H new ATOM 0 HB3 ALA A 56 41.035 52.476 35.780 1.00 0.00 H new TER 876 ALA A 56