USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 562 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 CYS N :NH3+ 171:sc= 0.0358 (180deg=-0.62) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 CYS N :NH3+ 158:sc=0.000362 (180deg=0) USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.234) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 1 CYS N :NH3+ -155:sc= 0.884 (180deg=0.439) USER MOD Single : C 1 CYS SG : rot 180:sc= 0.256 USER MOD Single : C 2 TYR OH : rot 180:sc= 0 USER MOD Single : C 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 10 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.0563) USER MOD Single : C 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 2 TYR OH : rot 180:sc= 0 USER MOD Single : D 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 11 LYS NZ :NH3+ -123:sc= -0.0802 (180deg=-0.552) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 2.607 -1.193 -7.524 1.00 0.00 N ATOM 2 CA CYS A 1 2.598 -0.131 -8.572 1.00 0.00 C ATOM 3 C CYS A 1 3.947 0.574 -8.624 1.00 0.00 C ATOM 4 O CYS A 1 4.222 1.349 -9.518 1.00 0.00 O ATOM 5 CB CYS A 1 1.496 0.845 -8.151 1.00 0.00 C ATOM 6 SG CYS A 1 -0.089 -0.026 -8.039 1.00 0.00 S ATOM 0 H1 CYS A 1 1.643 -1.560 -7.394 1.00 0.00 H new ATOM 0 H2 CYS A 1 3.236 -1.967 -7.820 1.00 0.00 H new ATOM 0 H3 CYS A 1 2.949 -0.793 -6.627 1.00 0.00 H new ATOM 0 HA CYS A 1 2.417 -0.540 -9.566 1.00 0.00 H new ATOM 0 HB2 CYS A 1 1.743 1.293 -7.189 1.00 0.00 H new ATOM 0 HB3 CYS A 1 1.424 1.659 -8.873 1.00 0.00 H new ATOM 13 N TYR A 2 4.800 0.294 -7.689 1.00 0.00 N ATOM 14 CA TYR A 2 6.137 0.927 -7.700 1.00 0.00 C ATOM 15 C TYR A 2 7.175 -0.160 -7.989 1.00 0.00 C ATOM 16 O TYR A 2 8.290 0.109 -8.371 1.00 0.00 O ATOM 17 CB TYR A 2 6.309 1.511 -6.291 1.00 0.00 C ATOM 18 CG TYR A 2 6.859 0.440 -5.388 1.00 0.00 C ATOM 19 CD1 TYR A 2 8.220 0.140 -5.433 1.00 0.00 C ATOM 20 CD2 TYR A 2 6.007 -0.280 -4.547 1.00 0.00 C ATOM 21 CE1 TYR A 2 8.737 -0.878 -4.638 1.00 0.00 C ATOM 22 CE2 TYR A 2 6.523 -1.298 -3.742 1.00 0.00 C ATOM 23 CZ TYR A 2 7.891 -1.601 -3.787 1.00 0.00 C ATOM 24 OH TYR A 2 8.402 -2.611 -2.999 1.00 0.00 O ATOM 0 H TYR A 2 4.628 -0.348 -6.915 1.00 0.00 H new ATOM 0 HA TYR A 2 6.253 1.704 -8.455 1.00 0.00 H new ATOM 0 HB2 TYR A 2 6.984 2.367 -6.317 1.00 0.00 H new ATOM 0 HB3 TYR A 2 5.352 1.870 -5.912 1.00 0.00 H new ATOM 0 HD1 TYR A 2 8.874 0.699 -6.086 1.00 0.00 H new ATOM 0 HD2 TYR A 2 4.952 -0.050 -4.519 1.00 0.00 H new ATOM 0 HE1 TYR A 2 9.791 -1.111 -4.677 1.00 0.00 H new ATOM 0 HE2 TYR A 2 5.868 -1.852 -3.085 1.00 0.00 H new ATOM 0 HH TYR A 2 7.680 -3.009 -2.469 1.00 0.00 H new ATOM 34 N LEU A 3 6.801 -1.397 -7.799 1.00 0.00 N ATOM 35 CA LEU A 3 7.752 -2.507 -8.057 1.00 0.00 C ATOM 36 C LEU A 3 8.429 -2.257 -9.389 1.00 0.00 C ATOM 37 O LEU A 3 9.603 -1.955 -9.457 1.00 0.00 O ATOM 38 CB LEU A 3 6.892 -3.756 -8.112 1.00 0.00 C ATOM 39 CG LEU A 3 6.957 -4.476 -6.781 1.00 0.00 C ATOM 40 CD1 LEU A 3 6.500 -3.537 -5.666 1.00 0.00 C ATOM 41 CD2 LEU A 3 6.049 -5.707 -6.822 1.00 0.00 C ATOM 0 H LEU A 3 5.877 -1.683 -7.476 1.00 0.00 H new ATOM 0 HA LEU A 3 8.530 -2.599 -7.299 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.861 -3.490 -8.343 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.238 -4.413 -8.910 1.00 0.00 H new ATOM 0 HG LEU A 3 7.983 -4.789 -6.588 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.548 -4.058 -4.710 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.151 -2.663 -5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.475 -3.219 -5.855 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.095 -6.225 -5.864 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.023 -5.396 -7.017 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.381 -6.378 -7.614 1.00 0.00 H new ATOM 53 N ARG A 4 7.682 -2.351 -10.450 1.00 0.00 N ATOM 54 CA ARG A 4 8.260 -2.082 -11.786 1.00 0.00 C ATOM 55 C ARG A 4 9.148 -0.840 -11.697 1.00 0.00 C ATOM 56 O ARG A 4 10.118 -0.703 -12.416 1.00 0.00 O ATOM 57 CB ARG A 4 7.051 -1.835 -12.694 1.00 0.00 C ATOM 58 CG ARG A 4 6.291 -0.581 -12.236 1.00 0.00 C ATOM 59 CD ARG A 4 5.337 -0.909 -11.080 1.00 0.00 C ATOM 60 NE ARG A 4 4.770 -2.253 -11.381 1.00 0.00 N ATOM 61 CZ ARG A 4 4.021 -2.424 -12.436 1.00 0.00 C ATOM 62 NH1 ARG A 4 3.209 -1.478 -12.819 1.00 0.00 N ATOM 63 NH2 ARG A 4 4.083 -3.540 -13.108 1.00 0.00 N ATOM 0 H ARG A 4 6.694 -2.603 -10.446 1.00 0.00 H new ATOM 0 HA ARG A 4 8.877 -2.897 -12.165 1.00 0.00 H new ATOM 0 HB2 ARG A 4 7.381 -1.713 -13.726 1.00 0.00 H new ATOM 0 HB3 ARG A 4 6.388 -2.700 -12.672 1.00 0.00 H new ATOM 0 HG2 ARG A 4 7.001 0.184 -11.921 1.00 0.00 H new ATOM 0 HG3 ARG A 4 5.727 -0.168 -13.072 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.866 -0.914 -10.127 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.548 -0.161 -11.002 1.00 0.00 H new ATOM 0 HE ARG A 4 4.967 -3.040 -10.763 1.00 0.00 H new ATOM 0 HH11 ARG A 4 3.160 -0.605 -12.294 1.00 0.00 H new ATOM 0 HH12 ARG A 4 2.623 -1.611 -13.644 1.00 0.00 H new ATOM 0 HH21 ARG A 4 4.717 -4.281 -12.809 1.00 0.00 H new ATOM 0 HH22 ARG A 4 3.497 -3.672 -13.932 1.00 0.00 H new ATOM 77 N ARG A 5 8.827 0.061 -10.803 1.00 0.00 N ATOM 78 CA ARG A 5 9.665 1.288 -10.656 1.00 0.00 C ATOM 79 C ARG A 5 10.854 1.009 -9.738 1.00 0.00 C ATOM 80 O ARG A 5 11.956 1.462 -9.975 1.00 0.00 O ATOM 81 CB ARG A 5 8.743 2.338 -10.056 1.00 0.00 C ATOM 82 CG ARG A 5 8.003 3.068 -11.174 1.00 0.00 C ATOM 83 CD ARG A 5 6.505 2.807 -11.028 1.00 0.00 C ATOM 84 NE ARG A 5 6.027 3.842 -10.070 1.00 0.00 N ATOM 85 CZ ARG A 5 5.099 4.685 -10.428 1.00 0.00 C ATOM 86 NH1 ARG A 5 5.280 5.452 -11.469 1.00 0.00 N ATOM 87 NH2 ARG A 5 3.988 4.762 -9.747 1.00 0.00 N ATOM 0 H ARG A 5 8.027 0.001 -10.173 1.00 0.00 H new ATOM 0 HA ARG A 5 10.078 1.621 -11.608 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.029 1.867 -9.381 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.320 3.048 -9.464 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.206 4.138 -11.125 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.353 2.722 -12.147 1.00 0.00 H new ATOM 0 HD2 ARG A 5 5.994 2.891 -11.987 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.314 1.802 -10.652 1.00 0.00 H new ATOM 0 HE ARG A 5 6.426 3.892 -9.133 1.00 0.00 H new ATOM 0 HH11 ARG A 5 6.147 5.392 -12.002 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.554 6.111 -11.749 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.845 4.162 -8.934 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.262 5.422 -10.028 1.00 0.00 H new ATOM 101 N PHE A 6 10.642 0.255 -8.702 1.00 0.00 N ATOM 102 CA PHE A 6 11.755 -0.073 -7.777 1.00 0.00 C ATOM 103 C PHE A 6 12.573 -1.224 -8.363 1.00 0.00 C ATOM 104 O PHE A 6 13.785 -1.169 -8.432 1.00 0.00 O ATOM 105 CB PHE A 6 11.066 -0.478 -6.487 1.00 0.00 C ATOM 106 CG PHE A 6 11.958 -1.347 -5.659 1.00 0.00 C ATOM 107 CD1 PHE A 6 12.841 -0.765 -4.753 1.00 0.00 C ATOM 108 CD2 PHE A 6 11.888 -2.731 -5.786 1.00 0.00 C ATOM 109 CE1 PHE A 6 13.660 -1.572 -3.968 1.00 0.00 C ATOM 110 CE2 PHE A 6 12.706 -3.542 -5.006 1.00 0.00 C ATOM 111 CZ PHE A 6 13.596 -2.965 -4.092 1.00 0.00 C ATOM 0 H PHE A 6 9.740 -0.151 -8.454 1.00 0.00 H new ATOM 0 HA PHE A 6 12.447 0.753 -7.615 1.00 0.00 H new ATOM 0 HB2 PHE A 6 10.791 0.412 -5.921 1.00 0.00 H new ATOM 0 HB3 PHE A 6 10.142 -1.009 -6.714 1.00 0.00 H new ATOM 0 HD1 PHE A 6 12.890 0.310 -4.660 1.00 0.00 H new ATOM 0 HD2 PHE A 6 11.199 -3.175 -6.489 1.00 0.00 H new ATOM 0 HE1 PHE A 6 14.345 -1.123 -3.263 1.00 0.00 H new ATOM 0 HE2 PHE A 6 12.655 -4.616 -5.105 1.00 0.00 H new ATOM 0 HZ PHE A 6 14.231 -3.593 -3.485 1.00 0.00 H new ATOM 121 N PHE A 7 11.915 -2.263 -8.800 1.00 0.00 N ATOM 122 CA PHE A 7 12.650 -3.402 -9.393 1.00 0.00 C ATOM 123 C PHE A 7 13.587 -2.892 -10.482 1.00 0.00 C ATOM 124 O PHE A 7 14.746 -3.251 -10.536 1.00 0.00 O ATOM 125 CB PHE A 7 11.581 -4.312 -9.966 1.00 0.00 C ATOM 126 CG PHE A 7 11.629 -5.625 -9.233 1.00 0.00 C ATOM 127 CD1 PHE A 7 12.844 -6.307 -9.118 1.00 0.00 C ATOM 128 CD2 PHE A 7 10.469 -6.154 -8.658 1.00 0.00 C ATOM 129 CE1 PHE A 7 12.904 -7.519 -8.430 1.00 0.00 C ATOM 130 CE2 PHE A 7 10.527 -7.371 -7.968 1.00 0.00 C ATOM 131 CZ PHE A 7 11.745 -8.055 -7.854 1.00 0.00 C ATOM 0 H PHE A 7 10.901 -2.367 -8.770 1.00 0.00 H new ATOM 0 HA PHE A 7 13.267 -3.932 -8.667 1.00 0.00 H new ATOM 0 HB2 PHE A 7 10.597 -3.855 -9.860 1.00 0.00 H new ATOM 0 HB3 PHE A 7 11.747 -4.467 -11.032 1.00 0.00 H new ATOM 0 HD1 PHE A 7 13.738 -5.895 -9.563 1.00 0.00 H new ATOM 0 HD2 PHE A 7 9.531 -5.625 -8.746 1.00 0.00 H new ATOM 0 HE1 PHE A 7 13.844 -8.044 -8.341 1.00 0.00 H new ATOM 0 HE2 PHE A 7 9.633 -7.783 -7.524 1.00 0.00 H new ATOM 0 HZ PHE A 7 11.790 -8.994 -7.323 1.00 0.00 H new ATOM 141 N LYS A 8 13.101 -2.037 -11.341 1.00 0.00 N ATOM 142 CA LYS A 8 13.973 -1.488 -12.406 1.00 0.00 C ATOM 143 C LYS A 8 15.257 -0.955 -11.776 1.00 0.00 C ATOM 144 O LYS A 8 16.283 -0.845 -12.417 1.00 0.00 O ATOM 145 CB LYS A 8 13.161 -0.369 -13.038 1.00 0.00 C ATOM 146 CG LYS A 8 12.939 -0.676 -14.520 1.00 0.00 C ATOM 147 CD LYS A 8 11.966 0.345 -15.115 1.00 0.00 C ATOM 148 CE LYS A 8 12.512 1.757 -14.891 1.00 0.00 C ATOM 149 NZ LYS A 8 11.689 2.634 -15.772 1.00 0.00 N ATOM 0 H LYS A 8 12.139 -1.698 -11.347 1.00 0.00 H new ATOM 0 HA LYS A 8 14.265 -2.230 -13.149 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.203 -0.268 -12.529 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.683 0.581 -12.926 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.888 -0.644 -15.055 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.541 -1.684 -14.637 1.00 0.00 H new ATOM 0 HD2 LYS A 8 11.833 0.159 -16.181 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.986 0.244 -14.649 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.423 2.053 -13.846 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.569 1.817 -15.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.005 3.620 -15.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.799 2.333 -16.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.689 2.562 -15.497 1.00 0.00 H new ATOM 163 N ALA A 9 15.208 -0.646 -10.507 1.00 0.00 N ATOM 164 CA ALA A 9 16.415 -0.149 -9.809 1.00 0.00 C ATOM 165 C ALA A 9 17.127 -1.332 -9.169 1.00 0.00 C ATOM 166 O ALA A 9 18.327 -1.490 -9.277 1.00 0.00 O ATOM 167 CB ALA A 9 15.899 0.815 -8.740 1.00 0.00 C ATOM 0 H ALA A 9 14.373 -0.720 -9.925 1.00 0.00 H new ATOM 0 HA ALA A 9 17.120 0.348 -10.476 1.00 0.00 H new ATOM 0 HB1 ALA A 9 16.741 1.223 -8.181 1.00 0.00 H new ATOM 0 HB2 ALA A 9 15.351 1.628 -9.217 1.00 0.00 H new ATOM 0 HB3 ALA A 9 15.236 0.282 -8.059 1.00 0.00 H new ATOM 173 N LYS A 10 16.381 -2.177 -8.515 1.00 0.00 N ATOM 174 CA LYS A 10 16.987 -3.369 -7.880 1.00 0.00 C ATOM 175 C LYS A 10 17.933 -4.051 -8.866 1.00 0.00 C ATOM 176 O LYS A 10 19.056 -4.373 -8.539 1.00 0.00 O ATOM 177 CB LYS A 10 15.808 -4.265 -7.548 1.00 0.00 C ATOM 178 CG LYS A 10 16.241 -5.329 -6.543 1.00 0.00 C ATOM 179 CD LYS A 10 16.236 -4.730 -5.139 1.00 0.00 C ATOM 180 CE LYS A 10 15.647 -5.741 -4.156 1.00 0.00 C ATOM 181 NZ LYS A 10 16.618 -5.791 -3.029 1.00 0.00 N ATOM 0 H LYS A 10 15.372 -2.089 -8.395 1.00 0.00 H new ATOM 0 HA LYS A 10 17.574 -3.129 -6.994 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.992 -3.672 -7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.431 -4.738 -8.455 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.566 -6.184 -6.588 1.00 0.00 H new ATOM 0 HG3 LYS A 10 17.237 -5.695 -6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 10 17.251 -4.466 -4.841 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.650 -3.811 -5.126 1.00 0.00 H new ATOM 0 HE2 LYS A 10 14.660 -5.430 -3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 10 15.529 -6.720 -4.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 16.283 -6.465 -2.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 17.547 -6.097 -3.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.704 -4.846 -2.603 1.00 0.00 H new ATOM 195 N LYS A 11 17.499 -4.261 -10.079 1.00 0.00 N ATOM 196 CA LYS A 11 18.393 -4.908 -11.072 1.00 0.00 C ATOM 197 C LYS A 11 19.755 -4.208 -11.061 1.00 0.00 C ATOM 198 O LYS A 11 20.774 -4.799 -11.355 1.00 0.00 O ATOM 199 CB LYS A 11 17.696 -4.722 -12.419 1.00 0.00 C ATOM 200 CG LYS A 11 16.355 -5.459 -12.406 1.00 0.00 C ATOM 201 CD LYS A 11 16.538 -6.866 -12.981 1.00 0.00 C ATOM 202 CE LYS A 11 15.189 -7.589 -13.006 1.00 0.00 C ATOM 203 NZ LYS A 11 15.509 -8.985 -13.421 1.00 0.00 N ATOM 0 H LYS A 11 16.570 -4.013 -10.421 1.00 0.00 H new ATOM 0 HA LYS A 11 18.569 -5.962 -10.858 1.00 0.00 H new ATOM 0 HB2 LYS A 11 17.538 -3.662 -12.615 1.00 0.00 H new ATOM 0 HB3 LYS A 11 18.326 -5.105 -13.222 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.971 -5.518 -11.388 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.620 -4.908 -12.993 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.950 -6.807 -13.989 1.00 0.00 H new ATOM 0 HD3 LYS A 11 17.252 -7.427 -12.377 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.711 -7.568 -12.026 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.501 -7.117 -13.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.633 -9.545 -13.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.957 -8.974 -14.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.161 -9.411 -12.732 1.00 0.00 H new ATOM 217 N LEU A 12 19.773 -2.945 -10.725 1.00 0.00 N ATOM 218 CA LEU A 12 21.054 -2.193 -10.691 1.00 0.00 C ATOM 219 C LEU A 12 21.895 -2.613 -9.482 1.00 0.00 C ATOM 220 O LEU A 12 23.048 -2.250 -9.361 1.00 0.00 O ATOM 221 CB LEU A 12 20.649 -0.724 -10.579 1.00 0.00 C ATOM 222 CG LEU A 12 19.595 -0.402 -11.640 1.00 0.00 C ATOM 223 CD1 LEU A 12 19.424 1.112 -11.745 1.00 0.00 C ATOM 224 CD2 LEU A 12 20.045 -0.957 -12.994 1.00 0.00 C ATOM 0 H LEU A 12 18.948 -2.402 -10.472 1.00 0.00 H new ATOM 0 HA LEU A 12 21.662 -2.384 -11.575 1.00 0.00 H new ATOM 0 HB2 LEU A 12 20.253 -0.520 -9.584 1.00 0.00 H new ATOM 0 HB3 LEU A 12 21.521 -0.084 -10.712 1.00 0.00 H new ATOM 0 HG LEU A 12 18.646 -0.858 -11.357 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.673 1.342 -12.501 1.00 0.00 H new ATOM 0 HD12 LEU A 12 19.103 1.510 -10.782 1.00 0.00 H new ATOM 0 HD13 LEU A 12 20.374 1.567 -12.027 1.00 0.00 H new ATOM 0 HD21 LEU A 12 19.294 -0.727 -13.749 1.00 0.00 H new ATOM 0 HD22 LEU A 12 20.994 -0.502 -13.276 1.00 0.00 H new ATOM 0 HD23 LEU A 12 20.168 -2.038 -12.922 1.00 0.00 H new ATOM 236 N ILE A 13 21.333 -3.382 -8.589 1.00 0.00 N ATOM 237 CA ILE A 13 22.116 -3.828 -7.396 1.00 0.00 C ATOM 238 C ILE A 13 21.807 -5.277 -7.067 1.00 0.00 C ATOM 239 O ILE A 13 21.577 -5.642 -5.931 1.00 0.00 O ATOM 240 CB ILE A 13 21.714 -2.916 -6.233 1.00 0.00 C ATOM 241 CG1 ILE A 13 20.210 -2.639 -6.248 1.00 0.00 C ATOM 242 CG2 ILE A 13 22.473 -1.592 -6.331 1.00 0.00 C ATOM 243 CD1 ILE A 13 19.546 -3.375 -5.081 1.00 0.00 C ATOM 0 H ILE A 13 20.372 -3.720 -8.631 1.00 0.00 H new ATOM 0 HA ILE A 13 23.187 -3.762 -7.589 1.00 0.00 H new ATOM 0 HB ILE A 13 21.965 -3.421 -5.300 1.00 0.00 H new ATOM 0 HG12 ILE A 13 20.026 -1.568 -6.169 1.00 0.00 H new ATOM 0 HG13 ILE A 13 19.778 -2.968 -7.193 1.00 0.00 H new ATOM 0 HG21 ILE A 13 22.185 -0.945 -5.502 1.00 0.00 H new ATOM 0 HG22 ILE A 13 23.545 -1.783 -6.286 1.00 0.00 H new ATOM 0 HG23 ILE A 13 22.231 -1.103 -7.274 1.00 0.00 H new ATOM 0 HD11 ILE A 13 18.474 -3.179 -5.090 1.00 0.00 H new ATOM 0 HD12 ILE A 13 19.720 -4.446 -5.181 1.00 0.00 H new ATOM 0 HD13 ILE A 13 19.971 -3.024 -4.141 1.00 0.00 H new ATOM 255 N GLU A 14 21.784 -6.096 -8.065 1.00 0.00 N ATOM 256 CA GLU A 14 21.478 -7.518 -7.865 1.00 0.00 C ATOM 257 C GLU A 14 22.517 -8.400 -8.565 1.00 0.00 C ATOM 258 O GLU A 14 23.001 -9.326 -7.935 1.00 0.00 O ATOM 259 CB GLU A 14 20.116 -7.651 -8.512 1.00 0.00 C ATOM 260 CG GLU A 14 19.122 -6.801 -7.731 1.00 0.00 C ATOM 261 CD GLU A 14 18.429 -7.660 -6.672 1.00 0.00 C ATOM 262 OE1 GLU A 14 17.461 -8.318 -7.015 1.00 0.00 O ATOM 263 OE2 GLU A 14 18.876 -7.644 -5.538 1.00 0.00 O ATOM 264 OXT GLU A 14 22.809 -8.133 -9.719 1.00 0.00 O ATOM 0 H GLU A 14 21.969 -5.830 -9.032 1.00 0.00 H new ATOM 0 HA GLU A 14 21.492 -7.830 -6.821 1.00 0.00 H new ATOM 0 HB2 GLU A 14 20.158 -7.325 -9.551 1.00 0.00 H new ATOM 0 HB3 GLU A 14 19.800 -8.694 -8.517 1.00 0.00 H new ATOM 0 HG2 GLU A 14 19.637 -5.966 -7.256 1.00 0.00 H new ATOM 0 HG3 GLU A 14 18.382 -6.375 -8.409 1.00 0.00 H new ATOM 272 N CYS B 1 -0.378 -0.280 -3.055 1.00 0.00 N ATOM 273 CA CYS B 1 0.930 -0.444 -3.753 1.00 0.00 C ATOM 274 C CYS B 1 2.033 0.254 -2.971 1.00 0.00 C ATOM 275 O CYS B 1 2.578 1.256 -3.388 1.00 0.00 O ATOM 276 CB CYS B 1 0.739 0.215 -5.116 1.00 0.00 C ATOM 277 SG CYS B 1 -0.052 -0.961 -6.245 1.00 0.00 S ATOM 0 H1 CYS B 1 -1.153 -0.414 -3.735 1.00 0.00 H new ATOM 0 H2 CYS B 1 -0.457 -0.986 -2.296 1.00 0.00 H new ATOM 0 H3 CYS B 1 -0.436 0.675 -2.647 1.00 0.00 H new ATOM 0 HA CYS B 1 1.220 -1.491 -3.846 1.00 0.00 H new ATOM 0 HB2 CYS B 1 0.125 1.110 -5.017 1.00 0.00 H new ATOM 0 HB3 CYS B 1 1.702 0.531 -5.518 1.00 0.00 H new ATOM 284 N TYR B 2 2.368 -0.283 -1.842 1.00 0.00 N ATOM 285 CA TYR B 2 3.440 0.316 -1.016 1.00 0.00 C ATOM 286 C TYR B 2 3.597 -0.524 0.255 1.00 0.00 C ATOM 287 O TYR B 2 4.674 -0.647 0.802 1.00 0.00 O ATOM 288 CB TYR B 2 2.977 1.758 -0.730 1.00 0.00 C ATOM 289 CG TYR B 2 2.380 1.852 0.649 1.00 0.00 C ATOM 290 CD1 TYR B 2 3.207 1.745 1.769 1.00 0.00 C ATOM 291 CD2 TYR B 2 1.004 2.024 0.805 1.00 0.00 C ATOM 292 CE1 TYR B 2 2.663 1.810 3.047 1.00 0.00 C ATOM 293 CE2 TYR B 2 0.453 2.089 2.085 1.00 0.00 C ATOM 294 CZ TYR B 2 1.281 1.981 3.212 1.00 0.00 C ATOM 295 OH TYR B 2 0.737 2.043 4.478 1.00 0.00 O ATOM 0 H TYR B 2 1.940 -1.122 -1.450 1.00 0.00 H new ATOM 0 HA TYR B 2 4.416 0.335 -1.500 1.00 0.00 H new ATOM 0 HB2 TYR B 2 3.821 2.442 -0.815 1.00 0.00 H new ATOM 0 HB3 TYR B 2 2.242 2.065 -1.474 1.00 0.00 H new ATOM 0 HD1 TYR B 2 4.271 1.611 1.642 1.00 0.00 H new ATOM 0 HD2 TYR B 2 0.367 2.107 -0.063 1.00 0.00 H new ATOM 0 HE1 TYR B 2 3.304 1.729 3.912 1.00 0.00 H new ATOM 0 HE2 TYR B 2 -0.612 2.223 2.208 1.00 0.00 H new ATOM 0 HH TYR B 2 -0.233 2.165 4.412 1.00 0.00 H new ATOM 305 N LEU B 3 2.530 -1.124 0.719 1.00 0.00 N ATOM 306 CA LEU B 3 2.644 -1.976 1.931 1.00 0.00 C ATOM 307 C LEU B 3 3.862 -2.865 1.749 1.00 0.00 C ATOM 308 O LEU B 3 4.852 -2.732 2.435 1.00 0.00 O ATOM 309 CB LEU B 3 1.370 -2.800 1.959 1.00 0.00 C ATOM 310 CG LEU B 3 0.341 -2.102 2.821 1.00 0.00 C ATOM 311 CD1 LEU B 3 0.127 -0.679 2.310 1.00 0.00 C ATOM 312 CD2 LEU B 3 -0.977 -2.871 2.766 1.00 0.00 C ATOM 0 H LEU B 3 1.596 -1.059 0.313 1.00 0.00 H new ATOM 0 HA LEU B 3 2.760 -1.415 2.858 1.00 0.00 H new ATOM 0 HB2 LEU B 3 0.985 -2.930 0.947 1.00 0.00 H new ATOM 0 HB3 LEU B 3 1.576 -3.795 2.353 1.00 0.00 H new ATOM 0 HG LEU B 3 0.695 -2.066 3.851 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -0.614 -0.177 2.931 1.00 0.00 H new ATOM 0 HD12 LEU B 3 1.068 -0.131 2.354 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -0.226 -0.712 1.279 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -1.718 -2.368 3.387 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -1.333 -2.910 1.736 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -0.822 -3.885 3.135 1.00 0.00 H new ATOM 324 N ARG B 4 3.801 -3.741 0.785 1.00 0.00 N ATOM 325 CA ARG B 4 4.967 -4.615 0.498 1.00 0.00 C ATOM 326 C ARG B 4 6.243 -3.777 0.596 1.00 0.00 C ATOM 327 O ARG B 4 7.286 -4.260 0.987 1.00 0.00 O ATOM 328 CB ARG B 4 4.746 -5.123 -0.935 1.00 0.00 C ATOM 329 CG ARG B 4 4.723 -3.946 -1.924 1.00 0.00 C ATOM 330 CD ARG B 4 3.345 -3.280 -1.906 1.00 0.00 C ATOM 331 NE ARG B 4 3.201 -2.625 -3.236 1.00 0.00 N ATOM 332 CZ ARG B 4 2.866 -3.329 -4.284 1.00 0.00 C ATOM 333 NH1 ARG B 4 2.043 -4.336 -4.163 1.00 0.00 N ATOM 334 NH2 ARG B 4 3.348 -3.023 -5.455 1.00 0.00 N ATOM 0 H ARG B 4 2.991 -3.888 0.183 1.00 0.00 H new ATOM 0 HA ARG B 4 5.065 -5.447 1.195 1.00 0.00 H new ATOM 0 HB2 ARG B 4 5.539 -5.819 -1.207 1.00 0.00 H new ATOM 0 HB3 ARG B 4 3.806 -5.672 -0.992 1.00 0.00 H new ATOM 0 HG2 ARG B 4 5.491 -3.220 -1.657 1.00 0.00 H new ATOM 0 HG3 ARG B 4 4.953 -4.299 -2.929 1.00 0.00 H new ATOM 0 HD2 ARG B 4 2.556 -4.015 -1.743 1.00 0.00 H new ATOM 0 HD3 ARG B 4 3.272 -2.550 -1.099 1.00 0.00 H new ATOM 0 HE ARG B 4 3.365 -1.623 -3.329 1.00 0.00 H new ATOM 0 HH11 ARG B 4 1.660 -4.575 -3.248 1.00 0.00 H new ATOM 0 HH12 ARG B 4 1.783 -4.884 -4.983 1.00 0.00 H new ATOM 0 HH21 ARG B 4 3.987 -2.234 -5.553 1.00 0.00 H new ATOM 0 HH22 ARG B 4 3.087 -3.573 -6.274 1.00 0.00 H new ATOM 348 N ARG B 5 6.155 -2.510 0.272 1.00 0.00 N ATOM 349 CA ARG B 5 7.357 -1.635 0.381 1.00 0.00 C ATOM 350 C ARG B 5 7.525 -1.192 1.836 1.00 0.00 C ATOM 351 O ARG B 5 8.589 -1.304 2.413 1.00 0.00 O ATOM 352 CB ARG B 5 7.090 -0.453 -0.554 1.00 0.00 C ATOM 353 CG ARG B 5 7.730 0.831 -0.012 1.00 0.00 C ATOM 354 CD ARG B 5 6.666 1.683 0.683 1.00 0.00 C ATOM 355 NE ARG B 5 6.874 3.060 0.155 1.00 0.00 N ATOM 356 CZ ARG B 5 6.229 4.066 0.679 1.00 0.00 C ATOM 357 NH1 ARG B 5 6.329 4.313 1.957 1.00 0.00 N ATOM 358 NH2 ARG B 5 5.486 4.828 -0.075 1.00 0.00 N ATOM 0 H ARG B 5 5.308 -2.049 -0.061 1.00 0.00 H new ATOM 0 HA ARG B 5 8.281 -2.139 0.098 1.00 0.00 H new ATOM 0 HB2 ARG B 5 7.488 -0.672 -1.545 1.00 0.00 H new ATOM 0 HB3 ARG B 5 6.015 -0.309 -0.666 1.00 0.00 H new ATOM 0 HG2 ARG B 5 8.527 0.584 0.689 1.00 0.00 H new ATOM 0 HG3 ARG B 5 8.186 1.394 -0.827 1.00 0.00 H new ATOM 0 HD2 ARG B 5 5.662 1.321 0.460 1.00 0.00 H new ATOM 0 HD3 ARG B 5 6.782 1.653 1.766 1.00 0.00 H new ATOM 0 HE ARG B 5 7.522 3.217 -0.617 1.00 0.00 H new ATOM 0 HH11 ARG B 5 6.912 3.719 2.547 1.00 0.00 H new ATOM 0 HH12 ARG B 5 5.824 5.100 2.365 1.00 0.00 H new ATOM 0 HH21 ARG B 5 5.409 4.637 -1.074 1.00 0.00 H new ATOM 0 HH22 ARG B 5 4.982 5.614 0.334 1.00 0.00 H new ATOM 372 N PHE B 6 6.475 -0.708 2.434 1.00 0.00 N ATOM 373 CA PHE B 6 6.558 -0.275 3.854 1.00 0.00 C ATOM 374 C PHE B 6 6.738 -1.505 4.754 1.00 0.00 C ATOM 375 O PHE B 6 7.620 -1.553 5.589 1.00 0.00 O ATOM 376 CB PHE B 6 5.225 0.426 4.105 1.00 0.00 C ATOM 377 CG PHE B 6 4.773 0.231 5.516 1.00 0.00 C ATOM 378 CD1 PHE B 6 4.114 -0.941 5.872 1.00 0.00 C ATOM 379 CD2 PHE B 6 5.005 1.228 6.458 1.00 0.00 C ATOM 380 CE1 PHE B 6 3.682 -1.122 7.183 1.00 0.00 C ATOM 381 CE2 PHE B 6 4.574 1.054 7.771 1.00 0.00 C ATOM 382 CZ PHE B 6 3.910 -0.123 8.138 1.00 0.00 C ATOM 0 H PHE B 6 5.560 -0.593 1.999 1.00 0.00 H new ATOM 0 HA PHE B 6 7.401 0.383 4.066 1.00 0.00 H new ATOM 0 HB2 PHE B 6 5.325 1.491 3.896 1.00 0.00 H new ATOM 0 HB3 PHE B 6 4.471 0.036 3.421 1.00 0.00 H new ATOM 0 HD1 PHE B 6 3.938 -1.709 5.133 1.00 0.00 H new ATOM 0 HD2 PHE B 6 5.518 2.134 6.172 1.00 0.00 H new ATOM 0 HE1 PHE B 6 3.172 -2.032 7.463 1.00 0.00 H new ATOM 0 HE2 PHE B 6 4.752 1.826 8.505 1.00 0.00 H new ATOM 0 HZ PHE B 6 3.574 -0.260 9.155 1.00 0.00 H new ATOM 392 N PHE B 7 5.907 -2.498 4.585 1.00 0.00 N ATOM 393 CA PHE B 7 6.018 -3.720 5.415 1.00 0.00 C ATOM 394 C PHE B 7 7.395 -4.361 5.247 1.00 0.00 C ATOM 395 O PHE B 7 7.990 -4.831 6.195 1.00 0.00 O ATOM 396 CB PHE B 7 4.924 -4.642 4.902 1.00 0.00 C ATOM 397 CG PHE B 7 3.878 -4.798 5.974 1.00 0.00 C ATOM 398 CD1 PHE B 7 4.265 -5.126 7.274 1.00 0.00 C ATOM 399 CD2 PHE B 7 2.526 -4.603 5.672 1.00 0.00 C ATOM 400 CE1 PHE B 7 3.304 -5.263 8.278 1.00 0.00 C ATOM 401 CE2 PHE B 7 1.560 -4.738 6.677 1.00 0.00 C ATOM 402 CZ PHE B 7 1.949 -5.068 7.981 1.00 0.00 C ATOM 0 H PHE B 7 5.151 -2.510 3.900 1.00 0.00 H new ATOM 0 HA PHE B 7 5.906 -3.508 6.478 1.00 0.00 H new ATOM 0 HB2 PHE B 7 4.478 -4.231 3.996 1.00 0.00 H new ATOM 0 HB3 PHE B 7 5.342 -5.614 4.639 1.00 0.00 H new ATOM 0 HD1 PHE B 7 5.310 -5.274 7.504 1.00 0.00 H new ATOM 0 HD2 PHE B 7 2.228 -4.349 4.666 1.00 0.00 H new ATOM 0 HE1 PHE B 7 3.605 -5.519 9.283 1.00 0.00 H new ATOM 0 HE2 PHE B 7 0.516 -4.588 6.446 1.00 0.00 H new ATOM 0 HZ PHE B 7 1.205 -5.172 8.757 1.00 0.00 H new ATOM 412 N LYS B 8 7.909 -4.380 4.048 1.00 0.00 N ATOM 413 CA LYS B 8 9.246 -4.986 3.833 1.00 0.00 C ATOM 414 C LYS B 8 10.215 -4.495 4.906 1.00 0.00 C ATOM 415 O LYS B 8 11.157 -5.173 5.267 1.00 0.00 O ATOM 416 CB LYS B 8 9.679 -4.511 2.458 1.00 0.00 C ATOM 417 CG LYS B 8 9.701 -5.692 1.490 1.00 0.00 C ATOM 418 CD LYS B 8 11.060 -6.380 1.571 1.00 0.00 C ATOM 419 CE LYS B 8 10.931 -7.675 2.376 1.00 0.00 C ATOM 420 NZ LYS B 8 11.946 -8.593 1.791 1.00 0.00 N ATOM 0 H LYS B 8 7.461 -4.003 3.213 1.00 0.00 H new ATOM 0 HA LYS B 8 9.226 -6.074 3.894 1.00 0.00 H new ATOM 0 HB2 LYS B 8 8.995 -3.744 2.095 1.00 0.00 H new ATOM 0 HB3 LYS B 8 10.668 -4.056 2.514 1.00 0.00 H new ATOM 0 HG2 LYS B 8 8.908 -6.397 1.739 1.00 0.00 H new ATOM 0 HG3 LYS B 8 9.514 -5.348 0.473 1.00 0.00 H new ATOM 0 HD2 LYS B 8 11.429 -6.598 0.569 1.00 0.00 H new ATOM 0 HD3 LYS B 8 11.787 -5.718 2.042 1.00 0.00 H new ATOM 0 HE2 LYS B 8 11.119 -7.502 3.436 1.00 0.00 H new ATOM 0 HE3 LYS B 8 9.927 -8.092 2.295 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 11.919 -9.504 2.291 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 11.737 -8.745 0.783 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 12.892 -8.172 1.889 1.00 0.00 H new ATOM 434 N ALA B 9 9.978 -3.326 5.431 1.00 0.00 N ATOM 435 CA ALA B 9 10.864 -2.794 6.490 1.00 0.00 C ATOM 436 C ALA B 9 10.391 -3.339 7.831 1.00 0.00 C ATOM 437 O ALA B 9 11.161 -3.556 8.746 1.00 0.00 O ATOM 438 CB ALA B 9 10.700 -1.274 6.431 1.00 0.00 C ATOM 0 H ALA B 9 9.204 -2.717 5.167 1.00 0.00 H new ATOM 0 HA ALA B 9 11.908 -3.078 6.360 1.00 0.00 H new ATOM 0 HB1 ALA B 9 11.329 -0.810 7.191 1.00 0.00 H new ATOM 0 HB2 ALA B 9 10.996 -0.914 5.446 1.00 0.00 H new ATOM 0 HB3 ALA B 9 9.658 -1.013 6.615 1.00 0.00 H new ATOM 444 N LYS B 10 9.115 -3.576 7.933 1.00 0.00 N ATOM 445 CA LYS B 10 8.540 -4.120 9.175 1.00 0.00 C ATOM 446 C LYS B 10 9.102 -5.516 9.440 1.00 0.00 C ATOM 447 O LYS B 10 9.800 -5.741 10.410 1.00 0.00 O ATOM 448 CB LYS B 10 7.055 -4.185 8.878 1.00 0.00 C ATOM 449 CG LYS B 10 6.249 -3.862 10.134 1.00 0.00 C ATOM 450 CD LYS B 10 6.075 -2.350 10.248 1.00 0.00 C ATOM 451 CE LYS B 10 5.667 -1.988 11.678 1.00 0.00 C ATOM 452 NZ LYS B 10 4.278 -2.506 11.827 1.00 0.00 N ATOM 0 H LYS B 10 8.439 -3.409 7.188 1.00 0.00 H new ATOM 0 HA LYS B 10 8.766 -3.522 10.058 1.00 0.00 H new ATOM 0 HB2 LYS B 10 6.804 -3.480 8.086 1.00 0.00 H new ATOM 0 HB3 LYS B 10 6.793 -5.179 8.515 1.00 0.00 H new ATOM 0 HG2 LYS B 10 5.275 -4.349 10.090 1.00 0.00 H new ATOM 0 HG3 LYS B 10 6.759 -4.248 11.016 1.00 0.00 H new ATOM 0 HD2 LYS B 10 7.005 -1.846 9.985 1.00 0.00 H new ATOM 0 HD3 LYS B 10 5.317 -2.007 9.544 1.00 0.00 H new ATOM 0 HE2 LYS B 10 6.338 -2.443 12.407 1.00 0.00 H new ATOM 0 HE3 LYS B 10 5.705 -0.911 11.838 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 3.827 -2.059 12.651 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 3.731 -2.285 10.970 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 4.305 -3.537 11.964 1.00 0.00 H new ATOM 466 N LYS B 11 8.806 -6.456 8.585 1.00 0.00 N ATOM 467 CA LYS B 11 9.323 -7.834 8.790 1.00 0.00 C ATOM 468 C LYS B 11 10.800 -7.787 9.180 1.00 0.00 C ATOM 469 O LYS B 11 11.276 -8.594 9.953 1.00 0.00 O ATOM 470 CB LYS B 11 9.146 -8.529 7.440 1.00 0.00 C ATOM 471 CG LYS B 11 7.877 -9.382 7.466 1.00 0.00 C ATOM 472 CD LYS B 11 8.233 -10.814 7.869 1.00 0.00 C ATOM 473 CE LYS B 11 8.469 -11.652 6.611 1.00 0.00 C ATOM 474 NZ LYS B 11 8.690 -13.038 7.108 1.00 0.00 N ATOM 0 H LYS B 11 8.228 -6.327 7.754 1.00 0.00 H new ATOM 0 HA LYS B 11 8.799 -8.359 9.589 1.00 0.00 H new ATOM 0 HB2 LYS B 11 9.082 -7.788 6.643 1.00 0.00 H new ATOM 0 HB3 LYS B 11 10.013 -9.154 7.225 1.00 0.00 H new ATOM 0 HG2 LYS B 11 7.159 -8.963 8.170 1.00 0.00 H new ATOM 0 HG3 LYS B 11 7.402 -9.376 6.485 1.00 0.00 H new ATOM 0 HD2 LYS B 11 9.126 -10.816 8.494 1.00 0.00 H new ATOM 0 HD3 LYS B 11 7.428 -11.247 8.462 1.00 0.00 H new ATOM 0 HE2 LYS B 11 7.612 -11.605 5.939 1.00 0.00 H new ATOM 0 HE3 LYS B 11 9.332 -11.291 6.052 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 8.859 -13.673 6.302 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 9.516 -13.053 7.740 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 7.849 -13.358 7.630 1.00 0.00 H new ATOM 488 N LEU B 12 11.532 -6.848 8.645 1.00 0.00 N ATOM 489 CA LEU B 12 12.974 -6.747 8.974 1.00 0.00 C ATOM 490 C LEU B 12 13.167 -6.448 10.465 1.00 0.00 C ATOM 491 O LEU B 12 14.254 -6.569 10.993 1.00 0.00 O ATOM 492 CB LEU B 12 13.497 -5.595 8.116 1.00 0.00 C ATOM 493 CG LEU B 12 13.670 -6.074 6.673 1.00 0.00 C ATOM 494 CD1 LEU B 12 14.305 -4.963 5.837 1.00 0.00 C ATOM 495 CD2 LEU B 12 14.573 -7.310 6.650 1.00 0.00 C ATOM 0 H LEU B 12 11.187 -6.145 7.991 1.00 0.00 H new ATOM 0 HA LEU B 12 13.507 -7.677 8.774 1.00 0.00 H new ATOM 0 HB2 LEU B 12 12.802 -4.756 8.151 1.00 0.00 H new ATOM 0 HB3 LEU B 12 14.449 -5.237 8.509 1.00 0.00 H new ATOM 0 HG LEU B 12 12.695 -6.328 6.257 1.00 0.00 H new ATOM 0 HD11 LEU B 12 14.428 -5.306 4.810 1.00 0.00 H new ATOM 0 HD12 LEU B 12 13.661 -4.083 5.852 1.00 0.00 H new ATOM 0 HD13 LEU B 12 15.279 -4.707 6.253 1.00 0.00 H new ATOM 0 HD21 LEU B 12 14.696 -7.651 5.622 1.00 0.00 H new ATOM 0 HD22 LEU B 12 15.547 -7.057 7.068 1.00 0.00 H new ATOM 0 HD23 LEU B 12 14.119 -8.103 7.244 1.00 0.00 H new ATOM 507 N ILE B 13 12.123 -6.060 11.152 1.00 0.00 N ATOM 508 CA ILE B 13 12.272 -5.762 12.610 1.00 0.00 C ATOM 509 C ILE B 13 11.008 -6.112 13.377 1.00 0.00 C ATOM 510 O ILE B 13 10.496 -5.331 14.153 1.00 0.00 O ATOM 511 CB ILE B 13 12.569 -4.262 12.721 1.00 0.00 C ATOM 512 CG1 ILE B 13 11.832 -3.475 11.636 1.00 0.00 C ATOM 513 CG2 ILE B 13 14.072 -4.025 12.582 1.00 0.00 C ATOM 514 CD1 ILE B 13 10.951 -2.409 12.292 1.00 0.00 C ATOM 0 H ILE B 13 11.184 -5.937 10.773 1.00 0.00 H new ATOM 0 HA ILE B 13 13.075 -6.359 13.043 1.00 0.00 H new ATOM 0 HB ILE B 13 12.225 -3.917 13.696 1.00 0.00 H new ATOM 0 HG12 ILE B 13 12.548 -3.006 10.961 1.00 0.00 H new ATOM 0 HG13 ILE B 13 11.221 -4.148 11.035 1.00 0.00 H new ATOM 0 HG21 ILE B 13 14.281 -2.958 12.661 1.00 0.00 H new ATOM 0 HG22 ILE B 13 14.599 -4.558 13.374 1.00 0.00 H new ATOM 0 HG23 ILE B 13 14.410 -4.390 11.612 1.00 0.00 H new ATOM 0 HD11 ILE B 13 10.425 -1.847 11.521 1.00 0.00 H new ATOM 0 HD12 ILE B 13 10.226 -2.890 12.949 1.00 0.00 H new ATOM 0 HD13 ILE B 13 11.574 -1.730 12.874 1.00 0.00 H new ATOM 526 N GLU B 14 10.501 -7.280 13.156 1.00 0.00 N ATOM 527 CA GLU B 14 9.275 -7.707 13.846 1.00 0.00 C ATOM 528 C GLU B 14 9.453 -9.106 14.444 1.00 0.00 C ATOM 529 O GLU B 14 9.112 -9.281 15.603 1.00 0.00 O ATOM 530 CB GLU B 14 8.249 -7.713 12.733 1.00 0.00 C ATOM 531 CG GLU B 14 8.077 -6.286 12.229 1.00 0.00 C ATOM 532 CD GLU B 14 6.962 -5.590 13.011 1.00 0.00 C ATOM 533 OE1 GLU B 14 5.808 -5.830 12.697 1.00 0.00 O ATOM 534 OE2 GLU B 14 7.281 -4.831 13.911 1.00 0.00 O ATOM 535 OXT GLU B 14 9.927 -9.977 13.735 1.00 0.00 O ATOM 0 H GLU B 14 10.894 -7.968 12.514 1.00 0.00 H new ATOM 0 HA GLU B 14 8.996 -7.064 14.681 1.00 0.00 H new ATOM 0 HB2 GLU B 14 8.573 -8.365 11.922 1.00 0.00 H new ATOM 0 HB3 GLU B 14 7.298 -8.104 13.096 1.00 0.00 H new ATOM 0 HG2 GLU B 14 9.011 -5.736 12.342 1.00 0.00 H new ATOM 0 HG3 GLU B 14 7.838 -6.293 11.166 1.00 0.00 H new ATOM 543 N CYS C 1 26.199 -1.770 11.624 1.00 0.00 N ATOM 544 CA CYS C 1 25.081 -0.850 11.271 1.00 0.00 C ATOM 545 C CYS C 1 23.848 -1.626 10.850 1.00 0.00 C ATOM 546 O CYS C 1 23.903 -2.782 10.478 1.00 0.00 O ATOM 547 CB CYS C 1 25.584 -0.010 10.108 1.00 0.00 C ATOM 548 SG CYS C 1 26.206 -1.095 8.800 1.00 0.00 S ATOM 0 H1 CYS C 1 26.847 -1.292 12.283 1.00 0.00 H new ATOM 0 H2 CYS C 1 25.816 -2.625 12.074 1.00 0.00 H new ATOM 0 H3 CYS C 1 26.716 -2.035 10.761 1.00 0.00 H new ATOM 0 HA CYS C 1 24.796 -0.238 12.127 1.00 0.00 H new ATOM 0 HB2 CYS C 1 24.779 0.616 9.723 1.00 0.00 H new ATOM 0 HB3 CYS C 1 26.375 0.660 10.445 1.00 0.00 H new ATOM 0 HG CYS C 1 26.633 -0.375 7.806 1.00 0.00 H new ATOM 555 N TYR C 2 22.737 -0.971 10.915 1.00 0.00 N ATOM 556 CA TYR C 2 21.451 -1.591 10.541 1.00 0.00 C ATOM 557 C TYR C 2 20.361 -0.577 10.866 1.00 0.00 C ATOM 558 O TYR C 2 19.417 -0.392 10.132 1.00 0.00 O ATOM 559 CB TYR C 2 21.331 -2.843 11.425 1.00 0.00 C ATOM 560 CG TYR C 2 20.450 -2.504 12.594 1.00 0.00 C ATOM 561 CD1 TYR C 2 19.067 -2.495 12.422 1.00 0.00 C ATOM 562 CD2 TYR C 2 21.014 -2.136 13.813 1.00 0.00 C ATOM 563 CE1 TYR C 2 18.237 -2.125 13.474 1.00 0.00 C ATOM 564 CE2 TYR C 2 20.188 -1.760 14.872 1.00 0.00 C ATOM 565 CZ TYR C 2 18.795 -1.753 14.706 1.00 0.00 C ATOM 566 OH TYR C 2 17.975 -1.382 15.752 1.00 0.00 O ATOM 0 H TYR C 2 22.664 -0.001 11.222 1.00 0.00 H new ATOM 0 HA TYR C 2 21.372 -1.865 9.489 1.00 0.00 H new ATOM 0 HB2 TYR C 2 20.908 -3.671 10.857 1.00 0.00 H new ATOM 0 HB3 TYR C 2 22.315 -3.162 11.769 1.00 0.00 H new ATOM 0 HD1 TYR C 2 18.640 -2.776 11.471 1.00 0.00 H new ATOM 0 HD2 TYR C 2 22.087 -2.142 13.938 1.00 0.00 H new ATOM 0 HE1 TYR C 2 17.165 -2.124 13.343 1.00 0.00 H new ATOM 0 HE2 TYR C 2 20.621 -1.474 15.819 1.00 0.00 H new ATOM 0 HH TYR C 2 18.523 -1.156 16.533 1.00 0.00 H new ATOM 576 N LEU C 3 20.513 0.090 11.979 1.00 0.00 N ATOM 577 CA LEU C 3 19.532 1.107 12.376 1.00 0.00 C ATOM 578 C LEU C 3 19.320 2.039 11.202 1.00 0.00 C ATOM 579 O LEU C 3 18.212 2.272 10.763 1.00 0.00 O ATOM 580 CB LEU C 3 20.190 1.820 13.531 1.00 0.00 C ATOM 581 CG LEU C 3 19.322 2.978 13.923 1.00 0.00 C ATOM 582 CD1 LEU C 3 18.579 2.632 15.208 1.00 0.00 C ATOM 583 CD2 LEU C 3 20.182 4.220 14.126 1.00 0.00 C ATOM 0 H LEU C 3 21.289 -0.037 12.629 1.00 0.00 H new ATOM 0 HA LEU C 3 18.558 0.708 12.659 1.00 0.00 H new ATOM 0 HB2 LEU C 3 20.320 1.140 14.373 1.00 0.00 H new ATOM 0 HB3 LEU C 3 21.183 2.168 13.247 1.00 0.00 H new ATOM 0 HG LEU C 3 18.598 3.182 13.134 1.00 0.00 H new ATOM 0 HD11 LEU C 3 17.946 3.470 15.499 1.00 0.00 H new ATOM 0 HD12 LEU C 3 17.961 1.749 15.044 1.00 0.00 H new ATOM 0 HD13 LEU C 3 19.299 2.429 16.001 1.00 0.00 H new ATOM 0 HD21 LEU C 3 19.548 5.059 14.411 1.00 0.00 H new ATOM 0 HD22 LEU C 3 20.911 4.033 14.914 1.00 0.00 H new ATOM 0 HD23 LEU C 3 20.703 4.457 13.198 1.00 0.00 H new ATOM 595 N ARG C 4 20.392 2.539 10.658 1.00 0.00 N ATOM 596 CA ARG C 4 20.265 3.414 9.468 1.00 0.00 C ATOM 597 C ARG C 4 19.335 2.703 8.495 1.00 0.00 C ATOM 598 O ARG C 4 18.633 3.310 7.714 1.00 0.00 O ATOM 599 CB ARG C 4 21.676 3.529 8.884 1.00 0.00 C ATOM 600 CG ARG C 4 22.689 3.779 10.005 1.00 0.00 C ATOM 601 CD ARG C 4 23.486 2.496 10.277 1.00 0.00 C ATOM 602 NE ARG C 4 24.129 2.717 11.602 1.00 0.00 N ATOM 603 CZ ARG C 4 24.814 3.805 11.824 1.00 0.00 C ATOM 604 NH1 ARG C 4 26.001 3.946 11.299 1.00 0.00 N ATOM 605 NH2 ARG C 4 24.311 4.752 12.567 1.00 0.00 N ATOM 0 H ARG C 4 21.345 2.379 10.985 1.00 0.00 H new ATOM 0 HA ARG C 4 19.866 4.404 9.688 1.00 0.00 H new ATOM 0 HB2 ARG C 4 21.932 2.615 8.348 1.00 0.00 H new ATOM 0 HB3 ARG C 4 21.714 4.343 8.161 1.00 0.00 H new ATOM 0 HG2 ARG C 4 23.365 4.586 9.724 1.00 0.00 H new ATOM 0 HG3 ARG C 4 22.173 4.097 10.911 1.00 0.00 H new ATOM 0 HD2 ARG C 4 22.834 1.623 10.295 1.00 0.00 H new ATOM 0 HD3 ARG C 4 24.231 2.322 9.501 1.00 0.00 H new ATOM 0 HE ARG C 4 24.034 2.017 12.337 1.00 0.00 H new ATOM 0 HH11 ARG C 4 26.392 3.206 10.716 1.00 0.00 H new ATOM 0 HH12 ARG C 4 26.537 4.796 11.472 1.00 0.00 H new ATOM 0 HH21 ARG C 4 23.382 4.642 12.974 1.00 0.00 H new ATOM 0 HH22 ARG C 4 24.846 5.603 12.741 1.00 0.00 H new ATOM 619 N ARG C 5 19.332 1.398 8.566 1.00 0.00 N ATOM 620 CA ARG C 5 18.448 0.591 7.675 1.00 0.00 C ATOM 621 C ARG C 5 17.055 0.413 8.304 1.00 0.00 C ATOM 622 O ARG C 5 16.077 0.206 7.612 1.00 0.00 O ATOM 623 CB ARG C 5 19.180 -0.753 7.501 1.00 0.00 C ATOM 624 CG ARG C 5 18.431 -1.900 8.196 1.00 0.00 C ATOM 625 CD ARG C 5 19.402 -3.053 8.463 1.00 0.00 C ATOM 626 NE ARG C 5 18.942 -4.150 7.569 1.00 0.00 N ATOM 627 CZ ARG C 5 19.610 -5.270 7.506 1.00 0.00 C ATOM 628 NH1 ARG C 5 20.572 -5.506 8.355 1.00 0.00 N ATOM 629 NH2 ARG C 5 19.316 -6.154 6.594 1.00 0.00 N ATOM 0 H ARG C 5 19.908 0.853 9.208 1.00 0.00 H new ATOM 0 HA ARG C 5 18.273 1.073 6.713 1.00 0.00 H new ATOM 0 HB2 ARG C 5 19.284 -0.976 6.439 1.00 0.00 H new ATOM 0 HB3 ARG C 5 20.187 -0.675 7.910 1.00 0.00 H new ATOM 0 HG2 ARG C 5 17.997 -1.551 9.133 1.00 0.00 H new ATOM 0 HG3 ARG C 5 17.606 -2.242 7.571 1.00 0.00 H new ATOM 0 HD2 ARG C 5 20.429 -2.765 8.240 1.00 0.00 H new ATOM 0 HD3 ARG C 5 19.376 -3.358 9.509 1.00 0.00 H new ATOM 0 HE ARG C 5 18.102 -4.027 7.004 1.00 0.00 H new ATOM 0 HH11 ARG C 5 20.803 -4.815 9.069 1.00 0.00 H new ATOM 0 HH12 ARG C 5 21.093 -6.381 8.305 1.00 0.00 H new ATOM 0 HH21 ARG C 5 18.564 -5.971 5.930 1.00 0.00 H new ATOM 0 HH22 ARG C 5 19.838 -7.029 6.545 1.00 0.00 H new ATOM 643 N PHE C 6 16.958 0.479 9.602 1.00 0.00 N ATOM 644 CA PHE C 6 15.629 0.298 10.256 1.00 0.00 C ATOM 645 C PHE C 6 14.920 1.651 10.432 1.00 0.00 C ATOM 646 O PHE C 6 13.742 1.781 10.168 1.00 0.00 O ATOM 647 CB PHE C 6 15.951 -0.372 11.600 1.00 0.00 C ATOM 648 CG PHE C 6 15.291 0.333 12.747 1.00 0.00 C ATOM 649 CD1 PHE C 6 14.018 -0.058 13.158 1.00 0.00 C ATOM 650 CD2 PHE C 6 15.959 1.363 13.402 1.00 0.00 C ATOM 651 CE1 PHE C 6 13.408 0.585 14.231 1.00 0.00 C ATOM 652 CE2 PHE C 6 15.353 2.010 14.475 1.00 0.00 C ATOM 653 CZ PHE C 6 14.073 1.622 14.895 1.00 0.00 C ATOM 0 H PHE C 6 17.737 0.650 10.238 1.00 0.00 H new ATOM 0 HA PHE C 6 14.943 -0.308 9.664 1.00 0.00 H new ATOM 0 HB2 PHE C 6 15.623 -1.411 11.575 1.00 0.00 H new ATOM 0 HB3 PHE C 6 17.030 -0.381 11.752 1.00 0.00 H new ATOM 0 HD1 PHE C 6 13.506 -0.858 12.645 1.00 0.00 H new ATOM 0 HD2 PHE C 6 16.946 1.660 13.078 1.00 0.00 H new ATOM 0 HE1 PHE C 6 12.422 0.284 14.551 1.00 0.00 H new ATOM 0 HE2 PHE C 6 15.869 2.811 14.984 1.00 0.00 H new ATOM 0 HZ PHE C 6 13.602 2.122 15.728 1.00 0.00 H new ATOM 663 N PHE C 7 15.622 2.652 10.890 1.00 0.00 N ATOM 664 CA PHE C 7 14.979 3.974 11.096 1.00 0.00 C ATOM 665 C PHE C 7 14.683 4.654 9.749 1.00 0.00 C ATOM 666 O PHE C 7 13.779 5.457 9.638 1.00 0.00 O ATOM 667 CB PHE C 7 15.982 4.770 11.947 1.00 0.00 C ATOM 668 CG PHE C 7 16.763 5.753 11.101 1.00 0.00 C ATOM 669 CD1 PHE C 7 16.133 6.902 10.608 1.00 0.00 C ATOM 670 CD2 PHE C 7 18.114 5.519 10.818 1.00 0.00 C ATOM 671 CE1 PHE C 7 16.851 7.817 9.830 1.00 0.00 C ATOM 672 CE2 PHE C 7 18.833 6.435 10.038 1.00 0.00 C ATOM 673 CZ PHE C 7 18.201 7.584 9.546 1.00 0.00 C ATOM 0 H PHE C 7 16.613 2.608 11.129 1.00 0.00 H new ATOM 0 HA PHE C 7 14.013 3.899 11.595 1.00 0.00 H new ATOM 0 HB2 PHE C 7 15.450 5.306 12.733 1.00 0.00 H new ATOM 0 HB3 PHE C 7 16.671 4.083 12.439 1.00 0.00 H new ATOM 0 HD1 PHE C 7 15.091 7.082 10.829 1.00 0.00 H new ATOM 0 HD2 PHE C 7 18.601 4.634 11.200 1.00 0.00 H new ATOM 0 HE1 PHE C 7 16.364 8.702 9.449 1.00 0.00 H new ATOM 0 HE2 PHE C 7 19.875 6.255 9.816 1.00 0.00 H new ATOM 0 HZ PHE C 7 18.756 8.291 8.947 1.00 0.00 H new ATOM 683 N LYS C 8 15.432 4.337 8.726 1.00 0.00 N ATOM 684 CA LYS C 8 15.193 4.951 7.413 1.00 0.00 C ATOM 685 C LYS C 8 13.791 4.580 6.920 1.00 0.00 C ATOM 686 O LYS C 8 13.013 5.425 6.527 1.00 0.00 O ATOM 687 CB LYS C 8 16.298 4.344 6.557 1.00 0.00 C ATOM 688 CG LYS C 8 15.768 3.924 5.191 1.00 0.00 C ATOM 689 CD LYS C 8 15.303 5.155 4.412 1.00 0.00 C ATOM 690 CE LYS C 8 16.469 6.135 4.257 1.00 0.00 C ATOM 691 NZ LYS C 8 16.157 6.913 3.026 1.00 0.00 N ATOM 0 H LYS C 8 16.204 3.671 8.757 1.00 0.00 H new ATOM 0 HA LYS C 8 15.221 6.041 7.402 1.00 0.00 H new ATOM 0 HB2 LYS C 8 17.103 5.068 6.431 1.00 0.00 H new ATOM 0 HB3 LYS C 8 16.723 3.479 7.067 1.00 0.00 H new ATOM 0 HG2 LYS C 8 16.547 3.403 4.634 1.00 0.00 H new ATOM 0 HG3 LYS C 8 14.940 3.225 5.312 1.00 0.00 H new ATOM 0 HD2 LYS C 8 14.931 4.858 3.431 1.00 0.00 H new ATOM 0 HD3 LYS C 8 14.476 5.637 4.934 1.00 0.00 H new ATOM 0 HE2 LYS C 8 16.554 6.788 5.126 1.00 0.00 H new ATOM 0 HE3 LYS C 8 17.418 5.607 4.161 1.00 0.00 H new ATOM 0 HZ1 LYS C 8 16.912 7.607 2.853 1.00 0.00 H new ATOM 0 HZ2 LYS C 8 16.089 6.266 2.214 1.00 0.00 H new ATOM 0 HZ3 LYS C 8 15.252 7.410 3.150 1.00 0.00 H new ATOM 705 N ALA C 9 13.465 3.316 6.949 1.00 0.00 N ATOM 706 CA ALA C 9 12.125 2.886 6.495 1.00 0.00 C ATOM 707 C ALA C 9 11.068 3.444 7.445 1.00 0.00 C ATOM 708 O ALA C 9 9.916 3.600 7.093 1.00 0.00 O ATOM 709 CB ALA C 9 12.154 1.359 6.555 1.00 0.00 C ATOM 0 H ALA C 9 14.076 2.565 7.270 1.00 0.00 H new ATOM 0 HA ALA C 9 11.884 3.241 5.493 1.00 0.00 H new ATOM 0 HB1 ALA C 9 11.191 0.964 6.232 1.00 0.00 H new ATOM 0 HB2 ALA C 9 12.939 0.984 5.899 1.00 0.00 H new ATOM 0 HB3 ALA C 9 12.353 1.039 7.578 1.00 0.00 H new ATOM 715 N LYS C 10 11.462 3.747 8.651 1.00 0.00 N ATOM 716 CA LYS C 10 10.512 4.293 9.636 1.00 0.00 C ATOM 717 C LYS C 10 10.132 5.729 9.267 1.00 0.00 C ATOM 718 O LYS C 10 8.992 6.021 8.966 1.00 0.00 O ATOM 719 CB LYS C 10 11.281 4.249 10.943 1.00 0.00 C ATOM 720 CG LYS C 10 10.364 3.782 12.071 1.00 0.00 C ATOM 721 CD LYS C 10 10.386 2.254 12.147 1.00 0.00 C ATOM 722 CE LYS C 10 9.922 1.801 13.534 1.00 0.00 C ATOM 723 NZ LYS C 10 8.446 2.003 13.533 1.00 0.00 N ATOM 0 H LYS C 10 12.417 3.635 8.992 1.00 0.00 H new ATOM 0 HA LYS C 10 9.577 3.735 9.686 1.00 0.00 H new ATOM 0 HB2 LYS C 10 12.132 3.574 10.852 1.00 0.00 H new ATOM 0 HB3 LYS C 10 11.681 5.237 11.173 1.00 0.00 H new ATOM 0 HG2 LYS C 10 10.690 4.209 13.019 1.00 0.00 H new ATOM 0 HG3 LYS C 10 9.347 4.133 11.896 1.00 0.00 H new ATOM 0 HD2 LYS C 10 9.737 1.832 11.380 1.00 0.00 H new ATOM 0 HD3 LYS C 10 11.393 1.885 11.951 1.00 0.00 H new ATOM 0 HE2 LYS C 10 10.177 0.757 13.714 1.00 0.00 H new ATOM 0 HE3 LYS C 10 10.400 2.386 14.320 1.00 0.00 H new ATOM 0 HZ1 LYS C 10 8.183 2.645 14.308 1.00 0.00 H new ATOM 0 HZ2 LYS C 10 8.153 2.418 12.625 1.00 0.00 H new ATOM 0 HZ3 LYS C 10 7.970 1.088 13.665 1.00 0.00 H new ATOM 737 N LYS C 11 11.077 6.629 9.288 1.00 0.00 N ATOM 738 CA LYS C 11 10.768 8.044 8.938 1.00 0.00 C ATOM 739 C LYS C 11 9.869 8.096 7.701 1.00 0.00 C ATOM 740 O LYS C 11 9.041 8.974 7.556 1.00 0.00 O ATOM 741 CB LYS C 11 12.123 8.683 8.639 1.00 0.00 C ATOM 742 CG LYS C 11 12.878 8.919 9.947 1.00 0.00 C ATOM 743 CD LYS C 11 12.589 10.333 10.456 1.00 0.00 C ATOM 744 CE LYS C 11 12.907 10.412 11.949 1.00 0.00 C ATOM 745 NZ LYS C 11 14.346 10.791 12.016 1.00 0.00 N ATOM 0 H LYS C 11 12.050 6.445 9.533 1.00 0.00 H new ATOM 0 HA LYS C 11 10.240 8.562 9.739 1.00 0.00 H new ATOM 0 HB2 LYS C 11 12.705 8.036 7.983 1.00 0.00 H new ATOM 0 HB3 LYS C 11 11.983 9.627 8.113 1.00 0.00 H new ATOM 0 HG2 LYS C 11 12.574 8.184 10.692 1.00 0.00 H new ATOM 0 HG3 LYS C 11 13.949 8.790 9.790 1.00 0.00 H new ATOM 0 HD2 LYS C 11 13.189 11.058 9.907 1.00 0.00 H new ATOM 0 HD3 LYS C 11 11.543 10.587 10.282 1.00 0.00 H new ATOM 0 HE2 LYS C 11 12.280 11.151 12.448 1.00 0.00 H new ATOM 0 HE3 LYS C 11 12.727 9.457 12.442 1.00 0.00 H new ATOM 0 HZ1 LYS C 11 14.640 10.865 13.011 1.00 0.00 H new ATOM 0 HZ2 LYS C 11 14.919 10.065 11.539 1.00 0.00 H new ATOM 0 HZ3 LYS C 11 14.486 11.707 11.545 1.00 0.00 H new ATOM 759 N LEU C 12 10.032 7.164 6.805 1.00 0.00 N ATOM 760 CA LEU C 12 9.202 7.152 5.575 1.00 0.00 C ATOM 761 C LEU C 12 7.718 7.018 5.928 1.00 0.00 C ATOM 762 O LEU C 12 6.852 7.276 5.116 1.00 0.00 O ATOM 763 CB LEU C 12 9.680 5.931 4.790 1.00 0.00 C ATOM 764 CG LEU C 12 11.059 6.218 4.192 1.00 0.00 C ATOM 765 CD1 LEU C 12 11.507 5.029 3.343 1.00 0.00 C ATOM 766 CD2 LEU C 12 10.982 7.469 3.312 1.00 0.00 C ATOM 0 H LEU C 12 10.710 6.406 6.875 1.00 0.00 H new ATOM 0 HA LEU C 12 9.304 8.074 5.002 1.00 0.00 H new ATOM 0 HB2 LEU C 12 9.729 5.061 5.445 1.00 0.00 H new ATOM 0 HB3 LEU C 12 8.970 5.694 3.998 1.00 0.00 H new ATOM 0 HG LEU C 12 11.776 6.380 4.997 1.00 0.00 H new ATOM 0 HD11 LEU C 12 12.489 5.235 2.918 1.00 0.00 H new ATOM 0 HD12 LEU C 12 11.561 4.137 3.967 1.00 0.00 H new ATOM 0 HD13 LEU C 12 10.790 4.866 2.538 1.00 0.00 H new ATOM 0 HD21 LEU C 12 11.964 7.675 2.885 1.00 0.00 H new ATOM 0 HD22 LEU C 12 10.264 7.305 2.508 1.00 0.00 H new ATOM 0 HD23 LEU C 12 10.663 8.319 3.915 1.00 0.00 H new ATOM 778 N ILE C 13 7.415 6.617 7.133 1.00 0.00 N ATOM 779 CA ILE C 13 5.983 6.468 7.524 1.00 0.00 C ATOM 780 C ILE C 13 5.776 6.825 8.983 1.00 0.00 C ATOM 781 O ILE C 13 5.098 6.138 9.722 1.00 0.00 O ATOM 782 CB ILE C 13 5.615 5.008 7.268 1.00 0.00 C ATOM 783 CG1 ILE C 13 6.772 4.083 7.662 1.00 0.00 C ATOM 784 CG2 ILE C 13 5.299 4.815 5.786 1.00 0.00 C ATOM 785 CD1 ILE C 13 6.576 3.604 9.101 1.00 0.00 C ATOM 0 H ILE C 13 8.092 6.387 7.860 1.00 0.00 H new ATOM 0 HA ILE C 13 5.351 7.142 6.946 1.00 0.00 H new ATOM 0 HB ILE C 13 4.742 4.758 7.871 1.00 0.00 H new ATOM 0 HG12 ILE C 13 6.815 3.229 6.986 1.00 0.00 H new ATOM 0 HG13 ILE C 13 7.721 4.611 7.569 1.00 0.00 H new ATOM 0 HG21 ILE C 13 5.036 3.773 5.603 1.00 0.00 H new ATOM 0 HG22 ILE C 13 4.462 5.455 5.506 1.00 0.00 H new ATOM 0 HG23 ILE C 13 6.173 5.079 5.190 1.00 0.00 H new ATOM 0 HD11 ILE C 13 7.399 2.946 9.381 1.00 0.00 H new ATOM 0 HD12 ILE C 13 6.555 4.464 9.771 1.00 0.00 H new ATOM 0 HD13 ILE C 13 5.634 3.060 9.178 1.00 0.00 H new ATOM 797 N GLU C 14 6.370 7.890 9.398 1.00 0.00 N ATOM 798 CA GLU C 14 6.249 8.323 10.797 1.00 0.00 C ATOM 799 C GLU C 14 5.893 9.811 10.873 1.00 0.00 C ATOM 800 O GLU C 14 6.419 10.567 10.071 1.00 0.00 O ATOM 801 CB GLU C 14 7.634 8.060 11.345 1.00 0.00 C ATOM 802 CG GLU C 14 7.899 6.560 11.301 1.00 0.00 C ATOM 803 CD GLU C 14 7.461 5.919 12.619 1.00 0.00 C ATOM 804 OE1 GLU C 14 6.293 5.588 12.735 1.00 0.00 O ATOM 805 OE2 GLU C 14 8.302 5.769 13.492 1.00 0.00 O ATOM 806 OXT GLU C 14 5.101 10.169 11.729 1.00 0.00 O ATOM 0 H GLU C 14 6.948 8.493 8.812 1.00 0.00 H new ATOM 0 HA GLU C 14 5.464 7.808 11.351 1.00 0.00 H new ATOM 0 HB2 GLU C 14 8.381 8.593 10.757 1.00 0.00 H new ATOM 0 HB3 GLU C 14 7.712 8.428 12.368 1.00 0.00 H new ATOM 0 HG2 GLU C 14 7.357 6.110 10.469 1.00 0.00 H new ATOM 0 HG3 GLU C 14 8.959 6.373 11.130 1.00 0.00 H new ATOM 826 N TYR D 2 24.694 -1.267 3.339 1.00 0.00 N ATOM 827 CA TYR D 2 24.595 -1.536 1.890 1.00 0.00 C ATOM 828 C TYR D 2 23.441 -0.693 1.373 1.00 0.00 C ATOM 829 O TYR D 2 23.384 -0.325 0.219 1.00 0.00 O ATOM 830 CB TYR D 2 24.322 -3.041 1.768 1.00 0.00 C ATOM 831 CG TYR D 2 22.836 -3.271 1.779 1.00 0.00 C ATOM 832 CD1 TYR D 2 22.103 -3.065 0.610 1.00 0.00 C ATOM 833 CD2 TYR D 2 22.192 -3.649 2.957 1.00 0.00 C ATOM 834 CE1 TYR D 2 20.722 -3.239 0.614 1.00 0.00 C ATOM 835 CE2 TYR D 2 20.810 -3.830 2.966 1.00 0.00 C ATOM 836 CZ TYR D 2 20.069 -3.625 1.792 1.00 0.00 C ATOM 837 OH TYR D 2 18.701 -3.800 1.798 1.00 0.00 O ATOM 0 HA TYR D 2 25.487 -1.286 1.315 1.00 0.00 H new ATOM 0 HB2 TYR D 2 24.756 -3.429 0.847 1.00 0.00 H new ATOM 0 HB3 TYR D 2 24.792 -3.577 2.592 1.00 0.00 H new ATOM 0 HD1 TYR D 2 22.607 -2.770 -0.298 1.00 0.00 H new ATOM 0 HD2 TYR D 2 22.763 -3.801 3.861 1.00 0.00 H new ATOM 0 HE1 TYR D 2 20.154 -3.077 -0.290 1.00 0.00 H new ATOM 0 HE2 TYR D 2 20.310 -4.128 3.876 1.00 0.00 H new ATOM 0 HH TYR D 2 18.410 -4.069 2.694 1.00 0.00 H new ATOM 847 N LEU D 3 22.531 -0.364 2.246 1.00 0.00 N ATOM 848 CA LEU D 3 21.398 0.480 1.834 1.00 0.00 C ATOM 849 C LEU D 3 21.944 1.728 1.162 1.00 0.00 C ATOM 850 O LEU D 3 21.381 2.233 0.212 1.00 0.00 O ATOM 851 CB LEU D 3 20.663 0.820 3.110 1.00 0.00 C ATOM 852 CG LEU D 3 19.201 0.494 2.914 1.00 0.00 C ATOM 853 CD1 LEU D 3 18.676 -0.296 4.104 1.00 0.00 C ATOM 854 CD2 LEU D 3 18.425 1.794 2.766 1.00 0.00 C ATOM 0 H LEU D 3 22.531 -0.648 3.226 1.00 0.00 H new ATOM 0 HA LEU D 3 20.730 -0.011 1.126 1.00 0.00 H new ATOM 0 HB2 LEU D 3 21.070 0.252 3.946 1.00 0.00 H new ATOM 0 HB3 LEU D 3 20.788 1.876 3.351 1.00 0.00 H new ATOM 0 HG LEU D 3 19.077 -0.113 2.017 1.00 0.00 H new ATOM 0 HD11 LEU D 3 17.621 -0.525 3.952 1.00 0.00 H new ATOM 0 HD12 LEU D 3 19.239 -1.224 4.201 1.00 0.00 H new ATOM 0 HD13 LEU D 3 18.791 0.295 5.013 1.00 0.00 H new ATOM 0 HD21 LEU D 3 17.367 1.572 2.624 1.00 0.00 H new ATOM 0 HD22 LEU D 3 18.552 2.398 3.665 1.00 0.00 H new ATOM 0 HD23 LEU D 3 18.799 2.345 1.903 1.00 0.00 H new ATOM 866 N ARG D 4 23.072 2.207 1.620 1.00 0.00 N ATOM 867 CA ARG D 4 23.667 3.394 0.959 1.00 0.00 C ATOM 868 C ARG D 4 23.839 3.067 -0.521 1.00 0.00 C ATOM 869 O ARG D 4 23.967 3.939 -1.357 1.00 0.00 O ATOM 870 CB ARG D 4 25.025 3.671 1.638 1.00 0.00 C ATOM 871 CG ARG D 4 25.775 2.373 1.983 1.00 0.00 C ATOM 872 CD ARG D 4 25.910 1.495 0.739 1.00 0.00 C ATOM 873 NE ARG D 4 27.201 0.771 0.894 1.00 0.00 N ATOM 874 CZ ARG D 4 28.333 1.386 0.678 1.00 0.00 C ATOM 875 NH1 ARG D 4 28.340 2.628 0.276 1.00 0.00 N ATOM 876 NH2 ARG D 4 29.461 0.757 0.866 1.00 0.00 N ATOM 0 H ARG D 4 23.596 1.831 2.411 1.00 0.00 H new ATOM 0 HA ARG D 4 23.039 4.280 1.049 1.00 0.00 H new ATOM 0 HB2 ARG D 4 25.642 4.281 0.978 1.00 0.00 H new ATOM 0 HB3 ARG D 4 24.864 4.249 2.548 1.00 0.00 H new ATOM 0 HG2 ARG D 4 26.763 2.609 2.379 1.00 0.00 H new ATOM 0 HG3 ARG D 4 25.240 1.831 2.763 1.00 0.00 H new ATOM 0 HD2 ARG D 4 25.077 0.797 0.661 1.00 0.00 H new ATOM 0 HD3 ARG D 4 25.906 2.099 -0.168 1.00 0.00 H new ATOM 0 HE ARG D 4 27.202 -0.211 1.170 1.00 0.00 H new ATOM 0 HH11 ARG D 4 27.459 3.122 0.130 1.00 0.00 H new ATOM 0 HH12 ARG D 4 29.226 3.105 0.108 1.00 0.00 H new ATOM 0 HH21 ARG D 4 29.458 -0.213 1.181 1.00 0.00 H new ATOM 0 HH22 ARG D 4 30.346 1.236 0.698 1.00 0.00 H new ATOM 890 N ARG D 5 23.819 1.801 -0.844 1.00 0.00 N ATOM 891 CA ARG D 5 23.953 1.391 -2.268 1.00 0.00 C ATOM 892 C ARG D 5 22.584 0.971 -2.809 1.00 0.00 C ATOM 893 O ARG D 5 22.358 0.930 -4.001 1.00 0.00 O ATOM 894 CB ARG D 5 24.952 0.219 -2.263 1.00 0.00 C ATOM 895 CG ARG D 5 24.223 -1.129 -2.178 1.00 0.00 C ATOM 896 CD ARG D 5 25.030 -2.090 -1.304 1.00 0.00 C ATOM 897 NE ARG D 5 26.150 -2.552 -2.168 1.00 0.00 N ATOM 898 CZ ARG D 5 27.379 -2.494 -1.730 1.00 0.00 C ATOM 899 NH1 ARG D 5 27.893 -1.347 -1.376 1.00 0.00 N ATOM 900 NH2 ARG D 5 28.093 -3.582 -1.641 1.00 0.00 N ATOM 0 H ARG D 5 23.715 1.034 -0.180 1.00 0.00 H new ATOM 0 HA ARG D 5 24.309 2.196 -2.911 1.00 0.00 H new ATOM 0 HB2 ARG D 5 25.559 0.251 -3.168 1.00 0.00 H new ATOM 0 HB3 ARG D 5 25.633 0.321 -1.418 1.00 0.00 H new ATOM 0 HG2 ARG D 5 23.226 -0.990 -1.760 1.00 0.00 H new ATOM 0 HG3 ARG D 5 24.094 -1.549 -3.176 1.00 0.00 H new ATOM 0 HD2 ARG D 5 25.402 -1.591 -0.409 1.00 0.00 H new ATOM 0 HD3 ARG D 5 24.418 -2.928 -0.970 1.00 0.00 H new ATOM 0 HE ARG D 5 25.958 -2.914 -3.102 1.00 0.00 H new ATOM 0 HH11 ARG D 5 27.335 -0.496 -1.441 1.00 0.00 H new ATOM 0 HH12 ARG D 5 28.853 -1.302 -1.034 1.00 0.00 H new ATOM 0 HH21 ARG D 5 27.692 -4.479 -1.914 1.00 0.00 H new ATOM 0 HH22 ARG D 5 29.053 -3.536 -1.299 1.00 0.00 H new ATOM 914 N PHE D 6 21.666 0.662 -1.931 1.00 0.00 N ATOM 915 CA PHE D 6 20.311 0.249 -2.384 1.00 0.00 C ATOM 916 C PHE D 6 19.344 1.437 -2.310 1.00 0.00 C ATOM 917 O PHE D 6 18.570 1.670 -3.218 1.00 0.00 O ATOM 918 CB PHE D 6 19.905 -0.874 -1.435 1.00 0.00 C ATOM 919 CG PHE D 6 18.416 -0.937 -1.296 1.00 0.00 C ATOM 920 CD1 PHE D 6 17.675 -1.729 -2.169 1.00 0.00 C ATOM 921 CD2 PHE D 6 17.784 -0.213 -0.289 1.00 0.00 C ATOM 922 CE1 PHE D 6 16.291 -1.798 -2.037 1.00 0.00 C ATOM 923 CE2 PHE D 6 16.400 -0.279 -0.152 1.00 0.00 C ATOM 924 CZ PHE D 6 15.647 -1.073 -1.027 1.00 0.00 C ATOM 0 H PHE D 6 21.799 0.679 -0.920 1.00 0.00 H new ATOM 0 HA PHE D 6 20.296 -0.087 -3.421 1.00 0.00 H new ATOM 0 HB2 PHE D 6 20.281 -1.826 -1.809 1.00 0.00 H new ATOM 0 HB3 PHE D 6 20.360 -0.713 -0.458 1.00 0.00 H new ATOM 0 HD1 PHE D 6 18.173 -2.289 -2.947 1.00 0.00 H new ATOM 0 HD2 PHE D 6 18.366 0.399 0.385 1.00 0.00 H new ATOM 0 HE1 PHE D 6 15.714 -2.411 -2.714 1.00 0.00 H new ATOM 0 HE2 PHE D 6 15.907 0.282 0.628 1.00 0.00 H new ATOM 0 HZ PHE D 6 14.573 -1.126 -0.923 1.00 0.00 H new ATOM 934 N PHE D 7 19.381 2.196 -1.246 1.00 0.00 N ATOM 935 CA PHE D 7 18.464 3.357 -1.149 1.00 0.00 C ATOM 936 C PHE D 7 18.850 4.392 -2.206 1.00 0.00 C ATOM 937 O PHE D 7 18.021 5.123 -2.711 1.00 0.00 O ATOM 938 CB PHE D 7 18.623 3.884 0.288 1.00 0.00 C ATOM 939 CG PHE D 7 19.537 5.091 0.343 1.00 0.00 C ATOM 940 CD1 PHE D 7 19.118 6.317 -0.189 1.00 0.00 C ATOM 941 CD2 PHE D 7 20.796 4.982 0.941 1.00 0.00 C ATOM 942 CE1 PHE D 7 19.961 7.433 -0.122 1.00 0.00 C ATOM 943 CE2 PHE D 7 21.639 6.097 1.006 1.00 0.00 C ATOM 944 CZ PHE D 7 21.222 7.323 0.475 1.00 0.00 C ATOM 0 H PHE D 7 20.003 2.060 -0.449 1.00 0.00 H new ATOM 0 HA PHE D 7 17.421 3.104 -1.339 1.00 0.00 H new ATOM 0 HB2 PHE D 7 17.645 4.149 0.689 1.00 0.00 H new ATOM 0 HB3 PHE D 7 19.024 3.094 0.923 1.00 0.00 H new ATOM 0 HD1 PHE D 7 18.145 6.402 -0.651 1.00 0.00 H new ATOM 0 HD2 PHE D 7 21.118 4.037 1.353 1.00 0.00 H new ATOM 0 HE1 PHE D 7 19.638 8.379 -0.531 1.00 0.00 H new ATOM 0 HE2 PHE D 7 22.612 6.011 1.466 1.00 0.00 H new ATOM 0 HZ PHE D 7 21.873 8.183 0.526 1.00 0.00 H new ATOM 954 N LYS D 8 20.106 4.442 -2.556 1.00 0.00 N ATOM 955 CA LYS D 8 20.551 5.407 -3.591 1.00 0.00 C ATOM 956 C LYS D 8 19.604 5.337 -4.787 1.00 0.00 C ATOM 957 O LYS D 8 19.133 6.342 -5.281 1.00 0.00 O ATOM 958 CB LYS D 8 21.951 4.952 -3.967 1.00 0.00 C ATOM 959 CG LYS D 8 22.946 6.083 -3.704 1.00 0.00 C ATOM 960 CD LYS D 8 24.239 5.813 -4.476 1.00 0.00 C ATOM 961 CE LYS D 8 25.337 5.380 -3.501 1.00 0.00 C ATOM 962 NZ LYS D 8 26.440 6.359 -3.708 1.00 0.00 N ATOM 0 H LYS D 8 20.842 3.853 -2.167 1.00 0.00 H new ATOM 0 HA LYS D 8 20.550 6.441 -3.245 1.00 0.00 H new ATOM 0 HB2 LYS D 8 22.226 4.070 -3.388 1.00 0.00 H new ATOM 0 HB3 LYS D 8 21.981 4.665 -5.018 1.00 0.00 H new ATOM 0 HG2 LYS D 8 22.518 7.037 -4.012 1.00 0.00 H new ATOM 0 HG3 LYS D 8 23.155 6.157 -2.637 1.00 0.00 H new ATOM 0 HD2 LYS D 8 24.074 5.036 -5.222 1.00 0.00 H new ATOM 0 HD3 LYS D 8 24.548 6.710 -5.013 1.00 0.00 H new ATOM 0 HE2 LYS D 8 24.981 5.398 -2.471 1.00 0.00 H new ATOM 0 HE3 LYS D 8 25.668 4.362 -3.706 1.00 0.00 H new ATOM 0 HZ1 LYS D 8 27.232 6.129 -3.074 1.00 0.00 H new ATOM 0 HZ2 LYS D 8 26.763 6.314 -4.696 1.00 0.00 H new ATOM 0 HZ3 LYS D 8 26.097 7.318 -3.499 1.00 0.00 H new ATOM 976 N ALA D 9 19.301 4.151 -5.242 1.00 0.00 N ATOM 977 CA ALA D 9 18.365 4.011 -6.378 1.00 0.00 C ATOM 978 C ALA D 9 16.944 4.221 -5.870 1.00 0.00 C ATOM 979 O ALA D 9 16.096 4.752 -6.554 1.00 0.00 O ATOM 980 CB ALA D 9 18.558 2.580 -6.888 1.00 0.00 C ATOM 0 H ALA D 9 19.666 3.274 -4.870 1.00 0.00 H new ATOM 0 HA ALA D 9 18.544 4.736 -7.172 1.00 0.00 H new ATOM 0 HB1 ALA D 9 17.894 2.403 -7.734 1.00 0.00 H new ATOM 0 HB2 ALA D 9 19.592 2.443 -7.204 1.00 0.00 H new ATOM 0 HB3 ALA D 9 18.325 1.875 -6.090 1.00 0.00 H new ATOM 986 N LYS D 10 16.684 3.817 -4.658 1.00 0.00 N ATOM 987 CA LYS D 10 15.328 4.007 -4.094 1.00 0.00 C ATOM 988 C LYS D 10 14.898 5.459 -4.271 1.00 0.00 C ATOM 989 O LYS D 10 13.845 5.741 -4.798 1.00 0.00 O ATOM 990 CB LYS D 10 15.452 3.671 -2.621 1.00 0.00 C ATOM 991 CG LYS D 10 14.059 3.453 -2.030 1.00 0.00 C ATOM 992 CD LYS D 10 13.818 1.957 -1.825 1.00 0.00 C ATOM 993 CE LYS D 10 12.359 1.627 -2.150 1.00 0.00 C ATOM 994 NZ LYS D 10 11.737 1.304 -0.837 1.00 0.00 N ATOM 0 H LYS D 10 17.355 3.364 -4.037 1.00 0.00 H new ATOM 0 HA LYS D 10 14.584 3.381 -4.587 1.00 0.00 H new ATOM 0 HB2 LYS D 10 16.058 2.775 -2.491 1.00 0.00 H new ATOM 0 HB3 LYS D 10 15.960 4.479 -2.094 1.00 0.00 H new ATOM 0 HG2 LYS D 10 13.969 3.980 -1.080 1.00 0.00 H new ATOM 0 HG3 LYS D 10 13.301 3.866 -2.696 1.00 0.00 H new ATOM 0 HD2 LYS D 10 14.484 1.379 -2.465 1.00 0.00 H new ATOM 0 HD3 LYS D 10 14.045 1.679 -0.796 1.00 0.00 H new ATOM 0 HE2 LYS D 10 11.860 2.471 -2.627 1.00 0.00 H new ATOM 0 HE3 LYS D 10 12.288 0.785 -2.838 1.00 0.00 H new ATOM 0 HZ1 LYS D 10 10.734 1.067 -0.977 1.00 0.00 H new ATOM 0 HZ2 LYS D 10 12.228 0.493 -0.410 1.00 0.00 H new ATOM 0 HZ3 LYS D 10 11.813 2.126 -0.205 1.00 0.00 H new ATOM 1008 N LYS D 11 15.710 6.384 -3.834 1.00 0.00 N ATOM 1009 CA LYS D 11 15.343 7.819 -3.980 1.00 0.00 C ATOM 1010 C LYS D 11 14.739 8.071 -5.365 1.00 0.00 C ATOM 1011 O LYS D 11 13.819 8.849 -5.519 1.00 0.00 O ATOM 1012 CB LYS D 11 16.653 8.590 -3.811 1.00 0.00 C ATOM 1013 CG LYS D 11 16.692 9.233 -2.422 1.00 0.00 C ATOM 1014 CD LYS D 11 16.068 10.629 -2.482 1.00 0.00 C ATOM 1015 CE LYS D 11 16.637 11.497 -1.356 1.00 0.00 C ATOM 1016 NZ LYS D 11 18.010 11.861 -1.804 1.00 0.00 N ATOM 0 H LYS D 11 16.608 6.207 -3.384 1.00 0.00 H new ATOM 0 HA LYS D 11 14.597 8.130 -3.248 1.00 0.00 H new ATOM 0 HB2 LYS D 11 17.502 7.918 -3.936 1.00 0.00 H new ATOM 0 HB3 LYS D 11 16.738 9.357 -4.581 1.00 0.00 H new ATOM 0 HG2 LYS D 11 16.150 8.612 -1.708 1.00 0.00 H new ATOM 0 HG3 LYS D 11 17.722 9.299 -2.070 1.00 0.00 H new ATOM 0 HD2 LYS D 11 16.274 11.089 -3.448 1.00 0.00 H new ATOM 0 HD3 LYS D 11 14.984 10.558 -2.387 1.00 0.00 H new ATOM 0 HE2 LYS D 11 16.026 12.385 -1.196 1.00 0.00 H new ATOM 0 HE3 LYS D 11 16.662 10.952 -0.412 1.00 0.00 H new ATOM 0 HZ1 LYS D 11 18.701 11.552 -1.091 1.00 0.00 H new ATOM 0 HZ2 LYS D 11 18.215 11.394 -2.710 1.00 0.00 H new ATOM 0 HZ3 LYS D 11 18.074 12.892 -1.924 1.00 0.00 H new ATOM 1030 N LEU D 12 15.253 7.420 -6.373 1.00 0.00 N ATOM 1031 CA LEU D 12 14.716 7.626 -7.744 1.00 0.00 C ATOM 1032 C LEU D 12 13.265 7.136 -7.846 1.00 0.00 C ATOM 1033 O LEU D 12 12.569 7.436 -8.795 1.00 0.00 O ATOM 1034 CB LEU D 12 15.628 6.812 -8.659 1.00 0.00 C ATOM 1035 CG LEU D 12 17.011 7.459 -8.684 1.00 0.00 C ATOM 1036 CD1 LEU D 12 17.994 6.536 -9.398 1.00 0.00 C ATOM 1037 CD2 LEU D 12 16.934 8.794 -9.428 1.00 0.00 C ATOM 0 H LEU D 12 16.023 6.754 -6.304 1.00 0.00 H new ATOM 0 HA LEU D 12 14.702 8.681 -8.017 1.00 0.00 H new ATOM 0 HB2 LEU D 12 15.699 5.784 -8.302 1.00 0.00 H new ATOM 0 HB3 LEU D 12 15.213 6.772 -9.666 1.00 0.00 H new ATOM 0 HG LEU D 12 17.351 7.629 -7.662 1.00 0.00 H new ATOM 0 HD11 LEU D 12 18.981 6.999 -9.415 1.00 0.00 H new ATOM 0 HD12 LEU D 12 18.049 5.584 -8.870 1.00 0.00 H new ATOM 0 HD13 LEU D 12 17.656 6.365 -10.420 1.00 0.00 H new ATOM 0 HD21 LEU D 12 17.920 9.257 -9.447 1.00 0.00 H new ATOM 0 HD22 LEU D 12 16.594 8.622 -10.449 1.00 0.00 H new ATOM 0 HD23 LEU D 12 16.232 9.455 -8.918 1.00 0.00 H new ATOM 1049 N ILE D 13 12.799 6.387 -6.879 1.00 0.00 N ATOM 1050 CA ILE D 13 11.388 5.891 -6.946 1.00 0.00 C ATOM 1051 C ILE D 13 10.707 5.950 -5.594 1.00 0.00 C ATOM 1052 O ILE D 13 9.537 6.254 -5.466 1.00 0.00 O ATOM 1053 CB ILE D 13 11.482 4.452 -7.427 1.00 0.00 C ATOM 1054 CG1 ILE D 13 12.429 3.668 -6.526 1.00 0.00 C ATOM 1055 CG2 ILE D 13 12.018 4.432 -8.854 1.00 0.00 C ATOM 1056 CD1 ILE D 13 11.657 3.109 -5.330 1.00 0.00 C ATOM 0 H ILE D 13 13.326 6.099 -6.054 1.00 0.00 H new ATOM 0 HA ILE D 13 10.791 6.511 -7.614 1.00 0.00 H new ATOM 0 HB ILE D 13 10.492 3.997 -7.396 1.00 0.00 H new ATOM 0 HG12 ILE D 13 12.890 2.854 -7.086 1.00 0.00 H new ATOM 0 HG13 ILE D 13 13.236 4.314 -6.181 1.00 0.00 H new ATOM 0 HG21 ILE D 13 12.087 3.401 -9.202 1.00 0.00 H new ATOM 0 HG22 ILE D 13 11.344 4.990 -9.504 1.00 0.00 H new ATOM 0 HG23 ILE D 13 13.007 4.890 -8.878 1.00 0.00 H new ATOM 0 HD11 ILE D 13 12.337 2.549 -4.688 1.00 0.00 H new ATOM 0 HD12 ILE D 13 11.218 3.931 -4.764 1.00 0.00 H new ATOM 0 HD13 ILE D 13 10.866 2.448 -5.684 1.00 0.00 H new ATOM 1068 N GLU D 14 11.445 5.662 -4.603 1.00 0.00 N ATOM 1069 CA GLU D 14 10.912 5.681 -3.213 1.00 0.00 C ATOM 1070 C GLU D 14 9.511 5.066 -3.174 1.00 0.00 C ATOM 1071 O GLU D 14 8.622 5.699 -2.629 1.00 0.00 O ATOM 1072 CB GLU D 14 10.860 7.160 -2.835 1.00 0.00 C ATOM 1073 CG GLU D 14 12.081 7.883 -3.408 1.00 0.00 C ATOM 1074 CD GLU D 14 12.639 8.847 -2.358 1.00 0.00 C ATOM 1075 OE1 GLU D 14 13.199 8.369 -1.384 1.00 0.00 O ATOM 1076 OE2 GLU D 14 12.503 10.044 -2.548 1.00 0.00 O ATOM 1077 OXT GLU D 14 9.351 3.973 -3.692 1.00 0.00 O ATOM 0 H GLU D 14 12.429 5.403 -4.677 1.00 0.00 H new ATOM 0 HA GLU D 14 11.529 5.104 -2.524 1.00 0.00 H new ATOM 0 HB2 GLU D 14 9.945 7.611 -3.219 1.00 0.00 H new ATOM 0 HB3 GLU D 14 10.838 7.267 -1.751 1.00 0.00 H new ATOM 0 HG2 GLU D 14 12.844 7.160 -3.696 1.00 0.00 H new ATOM 0 HG3 GLU D 14 11.804 8.430 -4.309 1.00 0.00 H new