USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 568 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= 0.854 (180deg=0.649) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00198) 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+ 175:sc= -0.118 (180deg=-0.152) 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 1 CYS N :NH3+ 158:sc= 0.00331 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 1 CYS N :NH3+ 156:sc= 0.266 (180deg=0.118) USER MOD Single : D 2 TYR OH : rot 180:sc= 0 USER MOD Single : D 8 LYS NZ :NH3+ -160:sc=-0.00563 (180deg=-0.37) USER MOD Single : D 10 LYS NZ :NH3+ -147:sc= -0.0816 (180deg=-1.3!) USER MOD Single : D 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 3.330 7.215 -8.398 1.00 0.00 N ATOM 2 CA CYS A 1 4.171 6.133 -7.805 1.00 0.00 C ATOM 3 C CYS A 1 4.261 4.948 -8.769 1.00 0.00 C ATOM 4 O CYS A 1 3.368 4.128 -8.842 1.00 0.00 O ATOM 5 CB CYS A 1 3.447 5.725 -6.521 1.00 0.00 C ATOM 6 SG CYS A 1 1.684 5.492 -6.865 1.00 0.00 S ATOM 0 H1 CYS A 1 3.399 8.070 -7.810 1.00 0.00 H new ATOM 0 H2 CYS A 1 3.666 7.428 -9.359 1.00 0.00 H new ATOM 0 H3 CYS A 1 2.339 6.902 -8.439 1.00 0.00 H new ATOM 0 HA CYS A 1 5.191 6.463 -7.609 1.00 0.00 H new ATOM 0 HB2 CYS A 1 3.876 4.804 -6.127 1.00 0.00 H new ATOM 0 HB3 CYS A 1 3.581 6.491 -5.757 1.00 0.00 H new ATOM 13 N TYR A 2 5.329 4.852 -9.514 1.00 0.00 N ATOM 14 CA TYR A 2 5.478 3.734 -10.473 1.00 0.00 C ATOM 15 C TYR A 2 6.944 3.661 -10.869 1.00 0.00 C ATOM 16 O TYR A 2 7.770 3.158 -10.136 1.00 0.00 O ATOM 17 CB TYR A 2 4.578 4.079 -11.679 1.00 0.00 C ATOM 18 CG TYR A 2 4.457 5.586 -11.854 1.00 0.00 C ATOM 19 CD1 TYR A 2 5.531 6.423 -11.533 1.00 0.00 C ATOM 20 CD2 TYR A 2 3.264 6.140 -12.334 1.00 0.00 C ATOM 21 CE1 TYR A 2 5.419 7.804 -11.684 1.00 0.00 C ATOM 22 CE2 TYR A 2 3.149 7.528 -12.487 1.00 0.00 C ATOM 23 CZ TYR A 2 4.228 8.361 -12.162 1.00 0.00 C ATOM 24 OH TYR A 2 4.116 9.728 -12.313 1.00 0.00 O ATOM 0 H TYR A 2 6.109 5.509 -9.495 1.00 0.00 H new ATOM 0 HA TYR A 2 5.186 2.767 -10.064 1.00 0.00 H new ATOM 0 HB2 TYR A 2 4.992 3.636 -12.585 1.00 0.00 H new ATOM 0 HB3 TYR A 2 3.588 3.645 -11.535 1.00 0.00 H new ATOM 0 HD1 TYR A 2 6.453 5.996 -11.166 1.00 0.00 H new ATOM 0 HD2 TYR A 2 2.433 5.498 -12.586 1.00 0.00 H new ATOM 0 HE1 TYR A 2 6.252 8.444 -11.432 1.00 0.00 H new ATOM 0 HE2 TYR A 2 2.228 7.956 -12.856 1.00 0.00 H new ATOM 0 HH TYR A 2 3.225 9.947 -12.656 1.00 0.00 H new ATOM 34 N LEU A 3 7.296 4.188 -11.995 1.00 0.00 N ATOM 35 CA LEU A 3 8.726 4.164 -12.369 1.00 0.00 C ATOM 36 C LEU A 3 9.551 4.783 -11.245 1.00 0.00 C ATOM 37 O LEU A 3 10.532 4.219 -10.805 1.00 0.00 O ATOM 38 CB LEU A 3 8.866 4.974 -13.631 1.00 0.00 C ATOM 39 CG LEU A 3 8.214 6.294 -13.422 1.00 0.00 C ATOM 40 CD1 LEU A 3 9.272 7.337 -13.060 1.00 0.00 C ATOM 41 CD2 LEU A 3 7.474 6.698 -14.691 1.00 0.00 C ATOM 0 H LEU A 3 6.667 4.629 -12.666 1.00 0.00 H new ATOM 0 HA LEU A 3 9.080 3.146 -12.530 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.919 5.107 -13.880 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.404 4.452 -14.469 1.00 0.00 H new ATOM 0 HG LEU A 3 7.498 6.228 -12.603 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.792 8.304 -12.907 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.781 7.036 -12.145 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.997 7.416 -13.870 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.995 7.665 -14.540 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.181 6.768 -15.518 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.716 5.950 -14.924 1.00 0.00 H new ATOM 53 N ARG A 4 9.149 5.929 -10.751 1.00 0.00 N ATOM 54 CA ARG A 4 9.906 6.548 -9.637 1.00 0.00 C ATOM 55 C ARG A 4 10.019 5.507 -8.533 1.00 0.00 C ATOM 56 O ARG A 4 11.048 5.346 -7.911 1.00 0.00 O ATOM 57 CB ARG A 4 9.071 7.765 -9.200 1.00 0.00 C ATOM 58 CG ARG A 4 7.968 7.349 -8.217 1.00 0.00 C ATOM 59 CD ARG A 4 7.381 8.597 -7.553 1.00 0.00 C ATOM 60 NE ARG A 4 6.049 8.784 -8.188 1.00 0.00 N ATOM 61 CZ ARG A 4 5.318 9.815 -7.869 1.00 0.00 C ATOM 62 NH1 ARG A 4 5.098 10.096 -6.614 1.00 0.00 N ATOM 63 NH2 ARG A 4 4.803 10.566 -8.804 1.00 0.00 N ATOM 0 H ARG A 4 8.335 6.453 -11.073 1.00 0.00 H new ATOM 0 HA ARG A 4 10.914 6.868 -9.902 1.00 0.00 H new ATOM 0 HB2 ARG A 4 9.719 8.507 -8.733 1.00 0.00 H new ATOM 0 HB3 ARG A 4 8.625 8.238 -10.075 1.00 0.00 H new ATOM 0 HG2 ARG A 4 7.186 6.801 -8.742 1.00 0.00 H new ATOM 0 HG3 ARG A 4 8.374 6.678 -7.460 1.00 0.00 H new ATOM 0 HD2 ARG A 4 7.289 8.463 -6.475 1.00 0.00 H new ATOM 0 HD3 ARG A 4 8.019 9.466 -7.713 1.00 0.00 H new ATOM 0 HE ARG A 4 5.709 8.107 -8.871 1.00 0.00 H new ATOM 0 HH11 ARG A 4 5.498 9.509 -5.882 1.00 0.00 H new ATOM 0 HH12 ARG A 4 4.526 10.903 -6.365 1.00 0.00 H new ATOM 0 HH21 ARG A 4 4.972 10.346 -9.786 1.00 0.00 H new ATOM 0 HH22 ARG A 4 4.231 11.372 -8.553 1.00 0.00 H new ATOM 77 N ARG A 5 8.962 4.772 -8.320 1.00 0.00 N ATOM 78 CA ARG A 5 8.999 3.710 -7.292 1.00 0.00 C ATOM 79 C ARG A 5 10.181 2.795 -7.617 1.00 0.00 C ATOM 80 O ARG A 5 10.766 2.166 -6.758 1.00 0.00 O ATOM 81 CB ARG A 5 7.629 3.011 -7.414 1.00 0.00 C ATOM 82 CG ARG A 5 7.751 1.499 -7.667 1.00 0.00 C ATOM 83 CD ARG A 5 6.614 1.059 -8.583 1.00 0.00 C ATOM 84 NE ARG A 5 7.278 0.811 -9.882 1.00 0.00 N ATOM 85 CZ ARG A 5 7.180 -0.356 -10.461 1.00 0.00 C ATOM 86 NH1 ARG A 5 7.453 -1.441 -9.789 1.00 0.00 N ATOM 87 NH2 ARG A 5 6.815 -0.439 -11.711 1.00 0.00 N ATOM 0 H ARG A 5 8.076 4.866 -8.817 1.00 0.00 H new ATOM 0 HA ARG A 5 9.145 4.055 -6.268 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.059 3.177 -6.500 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.065 3.467 -8.228 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.714 1.270 -8.124 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.708 0.954 -6.724 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.123 0.161 -8.207 1.00 0.00 H new ATOM 0 HD3 ARG A 5 5.848 1.830 -8.667 1.00 0.00 H new ATOM 0 HE ARG A 5 7.815 1.555 -10.328 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.742 -1.377 -8.813 1.00 0.00 H new ATOM 0 HH12 ARG A 5 7.377 -2.353 -10.240 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.605 0.409 -12.238 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.739 -1.351 -12.161 1.00 0.00 H new ATOM 101 N PHE A 6 10.530 2.746 -8.874 1.00 0.00 N ATOM 102 CA PHE A 6 11.672 1.907 -9.321 1.00 0.00 C ATOM 103 C PHE A 6 12.928 2.783 -9.420 1.00 0.00 C ATOM 104 O PHE A 6 14.000 2.411 -8.985 1.00 0.00 O ATOM 105 CB PHE A 6 11.226 1.366 -10.690 1.00 0.00 C ATOM 106 CG PHE A 6 12.200 1.717 -11.774 1.00 0.00 C ATOM 107 CD1 PHE A 6 13.418 1.046 -11.855 1.00 0.00 C ATOM 108 CD2 PHE A 6 11.874 2.704 -12.702 1.00 0.00 C ATOM 109 CE1 PHE A 6 14.317 1.362 -12.868 1.00 0.00 C ATOM 110 CE2 PHE A 6 12.772 3.023 -13.716 1.00 0.00 C ATOM 111 CZ PHE A 6 13.998 2.353 -13.804 1.00 0.00 C ATOM 0 H PHE A 6 10.063 3.261 -9.620 1.00 0.00 H new ATOM 0 HA PHE A 6 11.922 1.092 -8.641 1.00 0.00 H new ATOM 0 HB2 PHE A 6 11.119 0.283 -10.635 1.00 0.00 H new ATOM 0 HB3 PHE A 6 10.245 1.771 -10.938 1.00 0.00 H new ATOM 0 HD1 PHE A 6 13.664 0.282 -11.133 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.927 3.220 -12.634 1.00 0.00 H new ATOM 0 HE1 PHE A 6 15.262 0.843 -12.933 1.00 0.00 H new ATOM 0 HE2 PHE A 6 12.523 3.788 -14.436 1.00 0.00 H new ATOM 0 HZ PHE A 6 14.695 2.600 -14.591 1.00 0.00 H new ATOM 121 N PHE A 7 12.790 3.943 -9.999 1.00 0.00 N ATOM 122 CA PHE A 7 13.948 4.855 -10.143 1.00 0.00 C ATOM 123 C PHE A 7 14.487 5.262 -8.772 1.00 0.00 C ATOM 124 O PHE A 7 15.654 5.563 -8.621 1.00 0.00 O ATOM 125 CB PHE A 7 13.405 6.054 -10.902 1.00 0.00 C ATOM 126 CG PHE A 7 13.963 6.038 -12.302 1.00 0.00 C ATOM 127 CD1 PHE A 7 15.340 6.182 -12.505 1.00 0.00 C ATOM 128 CD2 PHE A 7 13.106 5.870 -13.395 1.00 0.00 C ATOM 129 CE1 PHE A 7 15.862 6.158 -13.803 1.00 0.00 C ATOM 130 CE2 PHE A 7 13.628 5.846 -14.695 1.00 0.00 C ATOM 131 CZ PHE A 7 15.006 5.990 -14.899 1.00 0.00 C ATOM 0 H PHE A 7 11.913 4.298 -10.381 1.00 0.00 H new ATOM 0 HA PHE A 7 14.782 4.389 -10.668 1.00 0.00 H new ATOM 0 HB2 PHE A 7 12.316 6.021 -10.930 1.00 0.00 H new ATOM 0 HB3 PHE A 7 13.683 6.978 -10.396 1.00 0.00 H new ATOM 0 HD1 PHE A 7 16.000 6.312 -11.660 1.00 0.00 H new ATOM 0 HD2 PHE A 7 12.043 5.759 -13.237 1.00 0.00 H new ATOM 0 HE1 PHE A 7 16.925 6.269 -13.960 1.00 0.00 H new ATOM 0 HE2 PHE A 7 12.968 5.716 -15.540 1.00 0.00 H new ATOM 0 HZ PHE A 7 15.409 5.972 -15.901 1.00 0.00 H new ATOM 141 N LYS A 8 13.654 5.265 -7.766 1.00 0.00 N ATOM 142 CA LYS A 8 14.116 5.634 -6.425 1.00 0.00 C ATOM 143 C LYS A 8 15.211 4.656 -5.977 1.00 0.00 C ATOM 144 O LYS A 8 15.933 4.903 -5.033 1.00 0.00 O ATOM 145 CB LYS A 8 12.842 5.527 -5.599 1.00 0.00 C ATOM 146 CG LYS A 8 13.105 4.827 -4.275 1.00 0.00 C ATOM 147 CD LYS A 8 12.111 5.337 -3.235 1.00 0.00 C ATOM 148 CE LYS A 8 10.739 4.719 -3.507 1.00 0.00 C ATOM 149 NZ LYS A 8 9.886 5.152 -2.365 1.00 0.00 N ATOM 0 H LYS A 8 12.665 5.023 -7.831 1.00 0.00 H new ATOM 0 HA LYS A 8 14.568 6.622 -6.342 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.440 6.523 -5.414 1.00 0.00 H new ATOM 0 HB3 LYS A 8 12.086 4.978 -6.160 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.005 3.748 -4.394 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.126 5.018 -3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.449 5.075 -2.232 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.048 6.424 -3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.332 5.065 -4.457 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.800 3.632 -3.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.932 4.752 -2.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.303 4.817 -1.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.826 6.190 -2.350 1.00 0.00 H new ATOM 163 N ALA A 9 15.337 3.552 -6.664 1.00 0.00 N ATOM 164 CA ALA A 9 16.376 2.558 -6.310 1.00 0.00 C ATOM 165 C ALA A 9 17.618 2.797 -7.162 1.00 0.00 C ATOM 166 O ALA A 9 18.733 2.553 -6.747 1.00 0.00 O ATOM 167 CB ALA A 9 15.756 1.200 -6.642 1.00 0.00 C ATOM 0 H ALA A 9 14.755 3.299 -7.463 1.00 0.00 H new ATOM 0 HA ALA A 9 16.677 2.620 -5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 9 16.467 0.408 -6.407 1.00 0.00 H new ATOM 0 HB2 ALA A 9 14.849 1.060 -6.053 1.00 0.00 H new ATOM 0 HB3 ALA A 9 15.509 1.162 -7.703 1.00 0.00 H new ATOM 173 N LYS A 10 17.425 3.282 -8.353 1.00 0.00 N ATOM 174 CA LYS A 10 18.557 3.553 -9.248 1.00 0.00 C ATOM 175 C LYS A 10 19.376 4.727 -8.712 1.00 0.00 C ATOM 176 O LYS A 10 20.573 4.630 -8.534 1.00 0.00 O ATOM 177 CB LYS A 10 17.879 3.893 -10.558 1.00 0.00 C ATOM 178 CG LYS A 10 18.450 3.017 -11.672 1.00 0.00 C ATOM 179 CD LYS A 10 19.213 3.881 -12.671 1.00 0.00 C ATOM 180 CE LYS A 10 19.825 2.979 -13.745 1.00 0.00 C ATOM 181 NZ LYS A 10 19.814 3.795 -14.991 1.00 0.00 N ATOM 0 H LYS A 10 16.509 3.503 -8.743 1.00 0.00 H new ATOM 0 HA LYS A 10 19.258 2.724 -9.345 1.00 0.00 H new ATOM 0 HB2 LYS A 10 16.803 3.737 -10.474 1.00 0.00 H new ATOM 0 HB3 LYS A 10 18.031 4.946 -10.795 1.00 0.00 H new ATOM 0 HG2 LYS A 10 19.113 2.262 -11.249 1.00 0.00 H new ATOM 0 HG3 LYS A 10 17.644 2.486 -12.178 1.00 0.00 H new ATOM 0 HD2 LYS A 10 18.543 4.609 -13.128 1.00 0.00 H new ATOM 0 HD3 LYS A 10 19.995 4.444 -12.162 1.00 0.00 H new ATOM 0 HE2 LYS A 10 20.839 2.681 -13.478 1.00 0.00 H new ATOM 0 HE3 LYS A 10 19.246 2.064 -13.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 20.220 3.241 -15.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 18.835 4.058 -15.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 20.379 4.656 -14.847 1.00 0.00 H new ATOM 195 N LYS A 11 18.737 5.832 -8.435 1.00 0.00 N ATOM 196 CA LYS A 11 19.481 7.000 -7.895 1.00 0.00 C ATOM 197 C LYS A 11 20.379 6.552 -6.737 1.00 0.00 C ATOM 198 O LYS A 11 21.444 7.093 -6.517 1.00 0.00 O ATOM 199 CB LYS A 11 18.402 7.960 -7.392 1.00 0.00 C ATOM 200 CG LYS A 11 18.444 9.256 -8.205 1.00 0.00 C ATOM 201 CD LYS A 11 19.863 9.827 -8.184 1.00 0.00 C ATOM 202 CE LYS A 11 20.323 10.110 -9.616 1.00 0.00 C ATOM 203 NZ LYS A 11 21.380 11.149 -9.482 1.00 0.00 N ATOM 0 H LYS A 11 17.735 5.974 -8.560 1.00 0.00 H new ATOM 0 HA LYS A 11 20.123 7.467 -8.642 1.00 0.00 H new ATOM 0 HB2 LYS A 11 17.420 7.496 -7.480 1.00 0.00 H new ATOM 0 HB3 LYS A 11 18.559 8.177 -6.335 1.00 0.00 H new ATOM 0 HG2 LYS A 11 18.133 9.064 -9.232 1.00 0.00 H new ATOM 0 HG3 LYS A 11 17.743 9.981 -7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 11 19.888 10.744 -7.595 1.00 0.00 H new ATOM 0 HD3 LYS A 11 20.543 9.122 -7.705 1.00 0.00 H new ATOM 0 HE2 LYS A 11 20.713 9.209 -10.091 1.00 0.00 H new ATOM 0 HE3 LYS A 11 19.497 10.464 -10.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 21.745 11.396 -10.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 20.978 11.997 -9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 22.156 10.781 -8.895 1.00 0.00 H new ATOM 217 N LEU A 12 19.945 5.571 -5.992 1.00 0.00 N ATOM 218 CA LEU A 12 20.751 5.084 -4.842 1.00 0.00 C ATOM 219 C LEU A 12 22.085 4.501 -5.318 1.00 0.00 C ATOM 220 O LEU A 12 22.993 4.295 -4.537 1.00 0.00 O ATOM 221 CB LEU A 12 19.898 3.997 -4.190 1.00 0.00 C ATOM 222 CG LEU A 12 18.569 4.602 -3.735 1.00 0.00 C ATOM 223 CD1 LEU A 12 17.806 3.580 -2.893 1.00 0.00 C ATOM 224 CD2 LEU A 12 18.839 5.854 -2.895 1.00 0.00 C ATOM 0 H LEU A 12 19.060 5.084 -6.134 1.00 0.00 H new ATOM 0 HA LEU A 12 20.993 5.890 -4.149 1.00 0.00 H new ATOM 0 HB2 LEU A 12 19.719 3.187 -4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 12 20.425 3.567 -3.339 1.00 0.00 H new ATOM 0 HG LEU A 12 17.975 4.871 -4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 12 16.859 4.011 -2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 12 17.614 2.688 -3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 12 18.401 3.311 -2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.892 6.286 -2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 12 19.433 5.585 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 12 19.384 6.584 -3.494 1.00 0.00 H new ATOM 236 N ILE A 13 22.215 4.236 -6.590 1.00 0.00 N ATOM 237 CA ILE A 13 23.503 3.670 -7.097 1.00 0.00 C ATOM 238 C ILE A 13 23.847 4.240 -8.458 1.00 0.00 C ATOM 239 O ILE A 13 24.239 3.536 -9.367 1.00 0.00 O ATOM 240 CB ILE A 13 23.312 2.152 -7.173 1.00 0.00 C ATOM 241 CG1 ILE A 13 21.923 1.806 -7.714 1.00 0.00 C ATOM 242 CG2 ILE A 13 23.474 1.547 -5.779 1.00 0.00 C ATOM 243 CD1 ILE A 13 22.053 1.224 -9.123 1.00 0.00 C ATOM 0 H ILE A 13 21.494 4.384 -7.296 1.00 0.00 H new ATOM 0 HA ILE A 13 24.329 3.927 -6.434 1.00 0.00 H new ATOM 0 HB ILE A 13 24.063 1.742 -7.848 1.00 0.00 H new ATOM 0 HG12 ILE A 13 21.434 1.088 -7.056 1.00 0.00 H new ATOM 0 HG13 ILE A 13 21.297 2.698 -7.734 1.00 0.00 H new ATOM 0 HG21 ILE A 13 23.338 0.467 -5.833 1.00 0.00 H new ATOM 0 HG22 ILE A 13 24.472 1.769 -5.400 1.00 0.00 H new ATOM 0 HG23 ILE A 13 22.728 1.973 -5.108 1.00 0.00 H new ATOM 0 HD11 ILE A 13 21.063 0.978 -9.508 1.00 0.00 H new ATOM 0 HD12 ILE A 13 22.525 1.957 -9.777 1.00 0.00 H new ATOM 0 HD13 ILE A 13 22.664 0.322 -9.089 1.00 0.00 H new ATOM 255 N GLU A 14 23.683 5.512 -8.600 1.00 0.00 N ATOM 256 CA GLU A 14 23.970 6.167 -9.883 1.00 0.00 C ATOM 257 C GLU A 14 24.763 7.460 -9.667 1.00 0.00 C ATOM 258 O GLU A 14 24.243 8.348 -9.011 1.00 0.00 O ATOM 259 CB GLU A 14 22.584 6.454 -10.418 1.00 0.00 C ATOM 260 CG GLU A 14 21.888 5.125 -10.683 1.00 0.00 C ATOM 261 CD GLU A 14 22.319 4.587 -12.048 1.00 0.00 C ATOM 262 OE1 GLU A 14 22.127 5.289 -13.027 1.00 0.00 O ATOM 263 OE2 GLU A 14 22.837 3.483 -12.090 1.00 0.00 O ATOM 264 OXT GLU A 14 25.873 7.540 -10.164 1.00 0.00 O ATOM 0 H GLU A 14 23.355 6.137 -7.864 1.00 0.00 H new ATOM 0 HA GLU A 14 24.578 5.566 -10.559 1.00 0.00 H new ATOM 0 HB2 GLU A 14 22.015 7.044 -9.700 1.00 0.00 H new ATOM 0 HB3 GLU A 14 22.645 7.040 -11.335 1.00 0.00 H new ATOM 0 HG2 GLU A 14 22.140 4.408 -9.902 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.806 5.257 -10.657 1.00 0.00 H new TER 271 GLU A 14 ATOM 272 N CYS B 1 0.782 4.608 -1.850 1.00 0.00 N ATOM 273 CA CYS B 1 2.007 4.417 -2.682 1.00 0.00 C ATOM 274 C CYS B 1 3.252 4.725 -1.867 1.00 0.00 C ATOM 275 O CYS B 1 4.347 4.806 -2.387 1.00 0.00 O ATOM 276 CB CYS B 1 1.858 5.401 -3.842 1.00 0.00 C ATOM 277 SG CYS B 1 0.965 4.601 -5.199 1.00 0.00 S ATOM 0 H1 CYS B 1 -0.063 4.477 -2.441 1.00 0.00 H new ATOM 0 H2 CYS B 1 0.775 3.912 -1.077 1.00 0.00 H new ATOM 0 H3 CYS B 1 0.780 5.568 -1.451 1.00 0.00 H new ATOM 0 HA CYS B 1 2.111 3.391 -3.034 1.00 0.00 H new ATOM 0 HB2 CYS B 1 1.320 6.290 -3.512 1.00 0.00 H new ATOM 0 HB3 CYS B 1 2.840 5.730 -4.182 1.00 0.00 H new ATOM 284 N TYR B 2 3.100 4.871 -0.589 1.00 0.00 N ATOM 285 CA TYR B 2 4.277 5.143 0.262 1.00 0.00 C ATOM 286 C TYR B 2 4.462 3.963 1.221 1.00 0.00 C ATOM 287 O TYR B 2 5.552 3.678 1.665 1.00 0.00 O ATOM 288 CB TYR B 2 3.938 6.441 1.007 1.00 0.00 C ATOM 289 CG TYR B 2 3.223 6.109 2.287 1.00 0.00 C ATOM 290 CD1 TYR B 2 3.946 5.591 3.361 1.00 0.00 C ATOM 291 CD2 TYR B 2 1.846 6.290 2.388 1.00 0.00 C ATOM 292 CE1 TYR B 2 3.300 5.254 4.541 1.00 0.00 C ATOM 293 CE2 TYR B 2 1.187 5.956 3.573 1.00 0.00 C ATOM 294 CZ TYR B 2 1.915 5.435 4.656 1.00 0.00 C ATOM 295 OH TYR B 2 1.267 5.100 5.827 1.00 0.00 O ATOM 0 H TYR B 2 2.209 4.813 -0.096 1.00 0.00 H new ATOM 0 HA TYR B 2 5.208 5.256 -0.294 1.00 0.00 H new ATOM 0 HB2 TYR B 2 4.849 6.999 1.221 1.00 0.00 H new ATOM 0 HB3 TYR B 2 3.312 7.079 0.383 1.00 0.00 H new ATOM 0 HD1 TYR B 2 5.013 5.452 3.274 1.00 0.00 H new ATOM 0 HD2 TYR B 2 1.289 6.688 1.552 1.00 0.00 H new ATOM 0 HE1 TYR B 2 3.864 4.853 5.370 1.00 0.00 H new ATOM 0 HE2 TYR B 2 0.120 6.098 3.657 1.00 0.00 H new ATOM 0 HH TYR B 2 0.310 5.290 5.737 1.00 0.00 H new ATOM 305 N LEU B 3 3.391 3.276 1.541 1.00 0.00 N ATOM 306 CA LEU B 3 3.507 2.111 2.459 1.00 0.00 C ATOM 307 C LEU B 3 4.725 1.307 2.044 1.00 0.00 C ATOM 308 O LEU B 3 5.626 1.069 2.817 1.00 0.00 O ATOM 309 CB LEU B 3 2.233 1.309 2.246 1.00 0.00 C ATOM 310 CG LEU B 3 1.191 1.720 3.268 1.00 0.00 C ATOM 311 CD1 LEU B 3 0.941 3.221 3.167 1.00 0.00 C ATOM 312 CD2 LEU B 3 -0.113 0.969 3.003 1.00 0.00 C ATOM 0 H LEU B 3 2.448 3.474 1.205 1.00 0.00 H new ATOM 0 HA LEU B 3 3.622 2.390 3.506 1.00 0.00 H new ATOM 0 HB2 LEU B 3 1.852 1.474 1.238 1.00 0.00 H new ATOM 0 HB3 LEU B 3 2.444 0.243 2.336 1.00 0.00 H new ATOM 0 HG LEU B 3 1.552 1.478 4.267 1.00 0.00 H new ATOM 0 HD11 LEU B 3 0.192 3.515 3.902 1.00 0.00 H new ATOM 0 HD12 LEU B 3 1.870 3.758 3.360 1.00 0.00 H new ATOM 0 HD13 LEU B 3 0.583 3.464 2.167 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -0.860 1.266 3.739 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -0.474 1.208 2.003 1.00 0.00 H new ATOM 0 HD23 LEU B 3 0.063 -0.104 3.078 1.00 0.00 H new ATOM 324 N ARG B 4 4.762 0.927 0.801 1.00 0.00 N ATOM 325 CA ARG B 4 5.937 0.174 0.283 1.00 0.00 C ATOM 326 C ARG B 4 7.200 0.823 0.838 1.00 0.00 C ATOM 327 O ARG B 4 8.138 0.160 1.228 1.00 0.00 O ATOM 328 CB ARG B 4 5.900 0.324 -1.247 1.00 0.00 C ATOM 329 CG ARG B 4 4.461 0.226 -1.763 1.00 0.00 C ATOM 330 CD ARG B 4 3.907 1.631 -2.046 1.00 0.00 C ATOM 331 NE ARG B 4 2.464 1.410 -2.338 1.00 0.00 N ATOM 332 CZ ARG B 4 2.109 0.614 -3.311 1.00 0.00 C ATOM 333 NH1 ARG B 4 2.121 1.044 -4.543 1.00 0.00 N ATOM 334 NH2 ARG B 4 1.740 -0.610 -3.051 1.00 0.00 N ATOM 0 H ARG B 4 4.027 1.105 0.117 1.00 0.00 H new ATOM 0 HA ARG B 4 5.922 -0.877 0.572 1.00 0.00 H new ATOM 0 HB2 ARG B 4 6.331 1.283 -1.534 1.00 0.00 H new ATOM 0 HB3 ARG B 4 6.511 -0.451 -1.709 1.00 0.00 H new ATOM 0 HG2 ARG B 4 4.432 -0.375 -2.672 1.00 0.00 H new ATOM 0 HG3 ARG B 4 3.836 -0.279 -1.027 1.00 0.00 H new ATOM 0 HD2 ARG B 4 4.042 2.291 -1.189 1.00 0.00 H new ATOM 0 HD3 ARG B 4 4.416 2.096 -2.890 1.00 0.00 H new ATOM 0 HE ARG B 4 1.753 1.880 -1.778 1.00 0.00 H new ATOM 0 HH11 ARG B 4 2.408 2.002 -4.746 1.00 0.00 H new ATOM 0 HH12 ARG B 4 1.844 0.422 -5.303 1.00 0.00 H new ATOM 0 HH21 ARG B 4 1.729 -0.946 -2.088 1.00 0.00 H new ATOM 0 HH22 ARG B 4 1.463 -1.231 -3.811 1.00 0.00 H new ATOM 348 N ARG B 5 7.212 2.129 0.891 1.00 0.00 N ATOM 349 CA ARG B 5 8.402 2.839 1.441 1.00 0.00 C ATOM 350 C ARG B 5 8.430 2.713 2.971 1.00 0.00 C ATOM 351 O ARG B 5 9.460 2.453 3.562 1.00 0.00 O ATOM 352 CB ARG B 5 8.247 4.295 0.985 1.00 0.00 C ATOM 353 CG ARG B 5 8.715 5.267 2.075 1.00 0.00 C ATOM 354 CD ARG B 5 7.518 5.675 2.929 1.00 0.00 C ATOM 355 NE ARG B 5 7.640 7.150 3.075 1.00 0.00 N ATOM 356 CZ ARG B 5 7.295 7.727 4.194 1.00 0.00 C ATOM 357 NH1 ARG B 5 8.046 7.594 5.254 1.00 0.00 N ATOM 358 NH2 ARG B 5 6.203 8.438 4.252 1.00 0.00 N ATOM 0 H ARG B 5 6.451 2.732 0.578 1.00 0.00 H new ATOM 0 HA ARG B 5 9.344 2.421 1.088 1.00 0.00 H new ATOM 0 HB2 ARG B 5 8.825 4.458 0.075 1.00 0.00 H new ATOM 0 HB3 ARG B 5 7.204 4.494 0.740 1.00 0.00 H new ATOM 0 HG2 ARG B 5 9.477 4.796 2.696 1.00 0.00 H new ATOM 0 HG3 ARG B 5 9.172 6.147 1.623 1.00 0.00 H new ATOM 0 HD2 ARG B 5 6.578 5.401 2.449 1.00 0.00 H new ATOM 0 HD3 ARG B 5 7.537 5.179 3.899 1.00 0.00 H new ATOM 0 HE ARG B 5 7.994 7.711 2.300 1.00 0.00 H new ATOM 0 HH11 ARG B 5 8.901 7.040 5.207 1.00 0.00 H new ATOM 0 HH12 ARG B 5 7.778 8.044 6.129 1.00 0.00 H new ATOM 0 HH21 ARG B 5 5.618 8.543 3.423 1.00 0.00 H new ATOM 0 HH22 ARG B 5 5.934 8.889 5.127 1.00 0.00 H new ATOM 372 N PHE B 6 7.311 2.892 3.615 1.00 0.00 N ATOM 373 CA PHE B 6 7.282 2.778 5.100 1.00 0.00 C ATOM 374 C PHE B 6 7.364 1.301 5.514 1.00 0.00 C ATOM 375 O PHE B 6 8.167 0.920 6.342 1.00 0.00 O ATOM 376 CB PHE B 6 5.951 3.423 5.509 1.00 0.00 C ATOM 377 CG PHE B 6 5.247 2.610 6.549 1.00 0.00 C ATOM 378 CD1 PHE B 6 5.550 2.792 7.895 1.00 0.00 C ATOM 379 CD2 PHE B 6 4.283 1.685 6.160 1.00 0.00 C ATOM 380 CE1 PHE B 6 4.885 2.043 8.863 1.00 0.00 C ATOM 381 CE2 PHE B 6 3.617 0.933 7.122 1.00 0.00 C ATOM 382 CZ PHE B 6 3.915 1.110 8.479 1.00 0.00 C ATOM 0 H PHE B 6 6.416 3.112 3.178 1.00 0.00 H new ATOM 0 HA PHE B 6 8.123 3.270 5.588 1.00 0.00 H new ATOM 0 HB2 PHE B 6 6.134 4.427 5.892 1.00 0.00 H new ATOM 0 HB3 PHE B 6 5.311 3.528 4.633 1.00 0.00 H new ATOM 0 HD1 PHE B 6 6.299 3.512 8.188 1.00 0.00 H new ATOM 0 HD2 PHE B 6 4.052 1.551 5.113 1.00 0.00 H new ATOM 0 HE1 PHE B 6 5.118 2.182 9.908 1.00 0.00 H new ATOM 0 HE2 PHE B 6 2.870 0.213 6.823 1.00 0.00 H new ATOM 0 HZ PHE B 6 3.398 0.528 9.227 1.00 0.00 H new ATOM 392 N PHE B 7 6.533 0.472 4.942 1.00 0.00 N ATOM 393 CA PHE B 7 6.550 -0.969 5.291 1.00 0.00 C ATOM 394 C PHE B 7 7.927 -1.570 5.014 1.00 0.00 C ATOM 395 O PHE B 7 8.432 -2.367 5.779 1.00 0.00 O ATOM 396 CB PHE B 7 5.499 -1.598 4.394 1.00 0.00 C ATOM 397 CG PHE B 7 4.416 -2.200 5.251 1.00 0.00 C ATOM 398 CD1 PHE B 7 4.736 -3.199 6.177 1.00 0.00 C ATOM 399 CD2 PHE B 7 3.094 -1.757 5.128 1.00 0.00 C ATOM 400 CE1 PHE B 7 3.737 -3.756 6.980 1.00 0.00 C ATOM 401 CE2 PHE B 7 2.092 -2.316 5.930 1.00 0.00 C ATOM 402 CZ PHE B 7 2.414 -3.316 6.856 1.00 0.00 C ATOM 0 H PHE B 7 5.839 0.738 4.243 1.00 0.00 H new ATOM 0 HA PHE B 7 6.343 -1.141 6.347 1.00 0.00 H new ATOM 0 HB2 PHE B 7 5.076 -0.847 3.726 1.00 0.00 H new ATOM 0 HB3 PHE B 7 5.951 -2.365 3.766 1.00 0.00 H new ATOM 0 HD1 PHE B 7 5.756 -3.540 6.271 1.00 0.00 H new ATOM 0 HD2 PHE B 7 2.847 -0.984 4.415 1.00 0.00 H new ATOM 0 HE1 PHE B 7 3.986 -4.526 7.696 1.00 0.00 H new ATOM 0 HE2 PHE B 7 1.071 -1.976 5.835 1.00 0.00 H new ATOM 0 HZ PHE B 7 1.641 -3.748 7.475 1.00 0.00 H new ATOM 412 N LYS B 8 8.537 -1.193 3.924 1.00 0.00 N ATOM 413 CA LYS B 8 9.881 -1.738 3.595 1.00 0.00 C ATOM 414 C LYS B 8 10.753 -1.789 4.850 1.00 0.00 C ATOM 415 O LYS B 8 11.651 -2.600 4.964 1.00 0.00 O ATOM 416 CB LYS B 8 10.460 -0.766 2.580 1.00 0.00 C ATOM 417 CG LYS B 8 10.618 -1.469 1.230 1.00 0.00 C ATOM 418 CD LYS B 8 10.861 -0.429 0.136 1.00 0.00 C ATOM 419 CE LYS B 8 9.852 -0.632 -0.996 1.00 0.00 C ATOM 420 NZ LYS B 8 10.502 -1.601 -1.921 1.00 0.00 N ATOM 0 H LYS B 8 8.161 -0.530 3.247 1.00 0.00 H new ATOM 0 HA LYS B 8 9.831 -2.754 3.204 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.806 0.100 2.476 1.00 0.00 H new ATOM 0 HB3 LYS B 8 11.426 -0.397 2.925 1.00 0.00 H new ATOM 0 HG2 LYS B 8 11.451 -2.171 1.270 1.00 0.00 H new ATOM 0 HG3 LYS B 8 9.723 -2.048 1.003 1.00 0.00 H new ATOM 0 HD2 LYS B 8 10.765 0.576 0.547 1.00 0.00 H new ATOM 0 HD3 LYS B 8 11.877 -0.520 -0.248 1.00 0.00 H new ATOM 0 HE2 LYS B 8 8.907 -1.021 -0.617 1.00 0.00 H new ATOM 0 HE3 LYS B 8 9.631 0.308 -1.501 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 9.870 -1.791 -2.725 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 11.396 -1.201 -2.271 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 10.695 -2.489 -1.415 1.00 0.00 H new ATOM 434 N ALA B 9 10.490 -0.931 5.796 1.00 0.00 N ATOM 435 CA ALA B 9 11.290 -0.928 7.042 1.00 0.00 C ATOM 436 C ALA B 9 10.677 -1.907 8.041 1.00 0.00 C ATOM 437 O ALA B 9 11.364 -2.532 8.823 1.00 0.00 O ATOM 438 CB ALA B 9 11.209 0.507 7.566 1.00 0.00 C ATOM 0 H ALA B 9 9.750 -0.230 5.755 1.00 0.00 H new ATOM 0 HA ALA B 9 12.324 -1.234 6.881 1.00 0.00 H new ATOM 0 HB1 ALA B 9 11.780 0.589 8.491 1.00 0.00 H new ATOM 0 HB2 ALA B 9 11.622 1.189 6.823 1.00 0.00 H new ATOM 0 HB3 ALA B 9 10.168 0.766 7.758 1.00 0.00 H new ATOM 444 N LYS B 10 9.382 -2.045 8.007 1.00 0.00 N ATOM 445 CA LYS B 10 8.699 -2.972 8.922 1.00 0.00 C ATOM 446 C LYS B 10 8.959 -4.414 8.491 1.00 0.00 C ATOM 447 O LYS B 10 9.437 -5.225 9.258 1.00 0.00 O ATOM 448 CB LYS B 10 7.242 -2.601 8.765 1.00 0.00 C ATOM 449 CG LYS B 10 6.597 -2.453 10.140 1.00 0.00 C ATOM 450 CD LYS B 10 5.603 -3.588 10.359 1.00 0.00 C ATOM 451 CE LYS B 10 4.180 -3.056 10.185 1.00 0.00 C ATOM 452 NZ LYS B 10 3.450 -3.506 11.402 1.00 0.00 N ATOM 0 H LYS B 10 8.766 -1.541 7.369 1.00 0.00 H new ATOM 0 HA LYS B 10 9.037 -2.902 9.956 1.00 0.00 H new ATOM 0 HB2 LYS B 10 7.152 -1.668 8.209 1.00 0.00 H new ATOM 0 HB3 LYS B 10 6.722 -3.367 8.189 1.00 0.00 H new ATOM 0 HG2 LYS B 10 7.362 -2.470 10.916 1.00 0.00 H new ATOM 0 HG3 LYS B 10 6.089 -1.491 10.214 1.00 0.00 H new ATOM 0 HD2 LYS B 10 5.791 -4.393 9.649 1.00 0.00 H new ATOM 0 HD3 LYS B 10 5.727 -4.007 11.357 1.00 0.00 H new ATOM 0 HE2 LYS B 10 4.172 -1.969 10.099 1.00 0.00 H new ATOM 0 HE3 LYS B 10 3.719 -3.450 9.280 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 2.464 -3.179 11.356 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 3.468 -4.545 11.454 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 3.907 -3.109 12.248 1.00 0.00 H new ATOM 466 N LYS B 11 8.664 -4.738 7.262 1.00 0.00 N ATOM 467 CA LYS B 11 8.912 -6.123 6.786 1.00 0.00 C ATOM 468 C LYS B 11 10.356 -6.521 7.099 1.00 0.00 C ATOM 469 O LYS B 11 10.669 -7.682 7.273 1.00 0.00 O ATOM 470 CB LYS B 11 8.685 -6.071 5.274 1.00 0.00 C ATOM 471 CG LYS B 11 7.427 -6.864 4.913 1.00 0.00 C ATOM 472 CD LYS B 11 7.711 -8.362 5.037 1.00 0.00 C ATOM 473 CE LYS B 11 7.427 -9.046 3.698 1.00 0.00 C ATOM 474 NZ LYS B 11 6.968 -10.417 4.058 1.00 0.00 N ATOM 0 H LYS B 11 8.263 -4.104 6.571 1.00 0.00 H new ATOM 0 HA LYS B 11 8.261 -6.854 7.266 1.00 0.00 H new ATOM 0 HB2 LYS B 11 8.580 -5.036 4.948 1.00 0.00 H new ATOM 0 HB3 LYS B 11 9.549 -6.484 4.753 1.00 0.00 H new ATOM 0 HG2 LYS B 11 6.606 -6.583 5.573 1.00 0.00 H new ATOM 0 HG3 LYS B 11 7.114 -6.626 3.896 1.00 0.00 H new ATOM 0 HD2 LYS B 11 8.749 -8.524 5.327 1.00 0.00 H new ATOM 0 HD3 LYS B 11 7.090 -8.798 5.819 1.00 0.00 H new ATOM 0 HE2 LYS B 11 6.664 -8.509 3.134 1.00 0.00 H new ATOM 0 HE3 LYS B 11 8.320 -9.079 3.074 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 6.753 -10.950 3.191 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 7.717 -10.906 4.588 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 6.113 -10.353 4.646 1.00 0.00 H new ATOM 488 N LEU B 12 11.237 -5.561 7.165 1.00 0.00 N ATOM 489 CA LEU B 12 12.661 -5.865 7.454 1.00 0.00 C ATOM 490 C LEU B 12 12.858 -6.208 8.933 1.00 0.00 C ATOM 491 O LEU B 12 13.948 -6.531 9.360 1.00 0.00 O ATOM 492 CB LEU B 12 13.416 -4.585 7.101 1.00 0.00 C ATOM 493 CG LEU B 12 13.625 -4.522 5.589 1.00 0.00 C ATOM 494 CD1 LEU B 12 14.387 -3.246 5.231 1.00 0.00 C ATOM 495 CD2 LEU B 12 14.430 -5.741 5.137 1.00 0.00 C ATOM 0 H LEU B 12 11.027 -4.572 7.030 1.00 0.00 H new ATOM 0 HA LEU B 12 13.014 -6.726 6.886 1.00 0.00 H new ATOM 0 HB2 LEU B 12 12.855 -3.714 7.439 1.00 0.00 H new ATOM 0 HB3 LEU B 12 14.378 -4.563 7.614 1.00 0.00 H new ATOM 0 HG LEU B 12 12.657 -4.518 5.088 1.00 0.00 H new ATOM 0 HD11 LEU B 12 14.536 -3.202 4.152 1.00 0.00 H new ATOM 0 HD12 LEU B 12 13.814 -2.377 5.554 1.00 0.00 H new ATOM 0 HD13 LEU B 12 15.356 -3.248 5.731 1.00 0.00 H new ATOM 0 HD21 LEU B 12 14.580 -5.698 4.058 1.00 0.00 H new ATOM 0 HD22 LEU B 12 15.398 -5.744 5.638 1.00 0.00 H new ATOM 0 HD23 LEU B 12 13.886 -6.651 5.392 1.00 0.00 H new ATOM 507 N ILE B 13 11.820 -6.136 9.723 1.00 0.00 N ATOM 508 CA ILE B 13 11.977 -6.455 11.172 1.00 0.00 C ATOM 509 C ILE B 13 10.690 -7.002 11.759 1.00 0.00 C ATOM 510 O ILE B 13 10.254 -6.607 12.823 1.00 0.00 O ATOM 511 CB ILE B 13 12.361 -5.142 11.850 1.00 0.00 C ATOM 512 CG1 ILE B 13 11.521 -3.991 11.290 1.00 0.00 C ATOM 513 CG2 ILE B 13 13.841 -4.852 11.605 1.00 0.00 C ATOM 514 CD1 ILE B 13 10.463 -3.583 12.315 1.00 0.00 C ATOM 0 H ILE B 13 10.879 -5.873 9.432 1.00 0.00 H new ATOM 0 HA ILE B 13 12.734 -7.224 11.323 1.00 0.00 H new ATOM 0 HB ILE B 13 12.175 -5.232 12.920 1.00 0.00 H new ATOM 0 HG12 ILE B 13 12.161 -3.141 11.055 1.00 0.00 H new ATOM 0 HG13 ILE B 13 11.042 -4.296 10.360 1.00 0.00 H new ATOM 0 HG21 ILE B 13 14.113 -3.914 12.090 1.00 0.00 H new ATOM 0 HG22 ILE B 13 14.443 -5.662 12.017 1.00 0.00 H new ATOM 0 HG23 ILE B 13 14.024 -4.773 10.533 1.00 0.00 H new ATOM 0 HD11 ILE B 13 9.866 -2.764 11.915 1.00 0.00 H new ATOM 0 HD12 ILE B 13 9.816 -4.434 12.528 1.00 0.00 H new ATOM 0 HD13 ILE B 13 10.952 -3.260 13.234 1.00 0.00 H new ATOM 526 N GLU B 14 10.076 -7.898 11.065 1.00 0.00 N ATOM 527 CA GLU B 14 8.813 -8.479 11.540 1.00 0.00 C ATOM 528 C GLU B 14 8.837 -10.005 11.412 1.00 0.00 C ATOM 529 O GLU B 14 8.004 -10.534 10.695 1.00 0.00 O ATOM 530 CB GLU B 14 7.794 -7.865 10.606 1.00 0.00 C ATOM 531 CG GLU B 14 7.764 -6.359 10.839 1.00 0.00 C ATOM 532 CD GLU B 14 6.711 -6.021 11.895 1.00 0.00 C ATOM 533 OE1 GLU B 14 5.546 -6.282 11.645 1.00 0.00 O ATOM 534 OE2 GLU B 14 7.087 -5.507 12.937 1.00 0.00 O ATOM 535 OXT GLU B 14 9.688 -10.619 12.036 1.00 0.00 O ATOM 0 H GLU B 14 10.404 -8.259 10.169 1.00 0.00 H new ATOM 0 HA GLU B 14 8.606 -8.279 12.591 1.00 0.00 H new ATOM 0 HB2 GLU B 14 8.052 -8.082 9.569 1.00 0.00 H new ATOM 0 HB3 GLU B 14 6.809 -8.295 10.786 1.00 0.00 H new ATOM 0 HG2 GLU B 14 8.744 -6.012 11.165 1.00 0.00 H new ATOM 0 HG3 GLU B 14 7.537 -5.842 9.907 1.00 0.00 H new TER 542 GLU B 14 ATOM 543 N CYS C 1 23.833 -3.686 10.053 1.00 0.00 N ATOM 544 CA CYS C 1 23.642 -3.081 8.702 1.00 0.00 C ATOM 545 C CYS C 1 22.175 -3.089 8.332 1.00 0.00 C ATOM 546 O CYS C 1 21.746 -3.768 7.421 1.00 0.00 O ATOM 547 CB CYS C 1 24.437 -3.966 7.749 1.00 0.00 C ATOM 548 SG CYS C 1 26.185 -3.498 7.796 1.00 0.00 S ATOM 0 H1 CYS C 1 24.814 -4.018 10.149 1.00 0.00 H new ATOM 0 H2 CYS C 1 23.635 -2.973 10.784 1.00 0.00 H new ATOM 0 H3 CYS C 1 23.183 -4.489 10.169 1.00 0.00 H new ATOM 0 HA CYS C 1 23.977 -2.044 8.665 1.00 0.00 H new ATOM 0 HB2 CYS C 1 24.323 -5.013 8.030 1.00 0.00 H new ATOM 0 HB3 CYS C 1 24.050 -3.864 6.735 1.00 0.00 H new ATOM 555 N TYR C 2 21.412 -2.319 9.032 1.00 0.00 N ATOM 556 CA TYR C 2 19.967 -2.235 8.750 1.00 0.00 C ATOM 557 C TYR C 2 19.328 -1.325 9.800 1.00 0.00 C ATOM 558 O TYR C 2 18.372 -0.628 9.544 1.00 0.00 O ATOM 559 CB TYR C 2 19.453 -3.689 8.816 1.00 0.00 C ATOM 560 CG TYR C 2 18.705 -3.915 10.097 1.00 0.00 C ATOM 561 CD1 TYR C 2 17.469 -3.300 10.289 1.00 0.00 C ATOM 562 CD2 TYR C 2 19.260 -4.713 11.094 1.00 0.00 C ATOM 563 CE1 TYR C 2 16.781 -3.481 11.482 1.00 0.00 C ATOM 564 CE2 TYR C 2 18.574 -4.903 12.291 1.00 0.00 C ATOM 565 CZ TYR C 2 17.331 -4.285 12.491 1.00 0.00 C ATOM 566 OH TYR C 2 16.651 -4.467 13.679 1.00 0.00 O ATOM 0 H TYR C 2 21.734 -1.733 9.802 1.00 0.00 H new ATOM 0 HA TYR C 2 19.725 -1.808 7.777 1.00 0.00 H new ATOM 0 HB2 TYR C 2 18.802 -3.892 7.965 1.00 0.00 H new ATOM 0 HB3 TYR C 2 20.291 -4.382 8.748 1.00 0.00 H new ATOM 0 HD1 TYR C 2 17.046 -2.683 9.510 1.00 0.00 H new ATOM 0 HD2 TYR C 2 20.220 -5.183 10.939 1.00 0.00 H new ATOM 0 HE1 TYR C 2 15.824 -3.003 11.632 1.00 0.00 H new ATOM 0 HE2 TYR C 2 18.999 -5.526 13.064 1.00 0.00 H new ATOM 0 HH TYR C 2 17.172 -5.052 14.268 1.00 0.00 H new ATOM 576 N LEU C 3 19.879 -1.306 10.976 1.00 0.00 N ATOM 577 CA LEU C 3 19.333 -0.416 12.027 1.00 0.00 C ATOM 578 C LEU C 3 19.127 0.960 11.415 1.00 0.00 C ATOM 579 O LEU C 3 18.083 1.568 11.547 1.00 0.00 O ATOM 580 CB LEU C 3 20.402 -0.370 13.104 1.00 0.00 C ATOM 581 CG LEU C 3 20.155 -1.470 14.117 1.00 0.00 C ATOM 582 CD1 LEU C 3 20.080 -2.818 13.401 1.00 0.00 C ATOM 583 CD2 LEU C 3 21.299 -1.494 15.130 1.00 0.00 C ATOM 0 H LEU C 3 20.683 -1.868 11.254 1.00 0.00 H new ATOM 0 HA LEU C 3 18.381 -0.756 12.436 1.00 0.00 H new ATOM 0 HB2 LEU C 3 21.388 -0.490 12.656 1.00 0.00 H new ATOM 0 HB3 LEU C 3 20.392 0.601 13.598 1.00 0.00 H new ATOM 0 HG LEU C 3 19.214 -1.282 14.634 1.00 0.00 H new ATOM 0 HD11 LEU C 3 19.902 -3.608 14.131 1.00 0.00 H new ATOM 0 HD12 LEU C 3 19.264 -2.801 12.678 1.00 0.00 H new ATOM 0 HD13 LEU C 3 21.020 -3.007 12.883 1.00 0.00 H new ATOM 0 HD21 LEU C 3 21.123 -2.285 15.859 1.00 0.00 H new ATOM 0 HD22 LEU C 3 22.240 -1.681 14.612 1.00 0.00 H new ATOM 0 HD23 LEU C 3 21.352 -0.533 15.642 1.00 0.00 H new ATOM 595 N ARG C 4 20.121 1.445 10.719 1.00 0.00 N ATOM 596 CA ARG C 4 19.978 2.777 10.074 1.00 0.00 C ATOM 597 C ARG C 4 18.839 2.731 9.056 1.00 0.00 C ATOM 598 O ARG C 4 18.258 3.744 8.730 1.00 0.00 O ATOM 599 CB ARG C 4 21.316 3.132 9.393 1.00 0.00 C ATOM 600 CG ARG C 4 22.105 1.890 8.960 1.00 0.00 C ATOM 601 CD ARG C 4 21.193 0.923 8.213 1.00 0.00 C ATOM 602 NE ARG C 4 22.100 0.127 7.343 1.00 0.00 N ATOM 603 CZ ARG C 4 22.757 0.710 6.377 1.00 0.00 C ATOM 604 NH1 ARG C 4 22.386 1.888 5.957 1.00 0.00 N ATOM 605 NH2 ARG C 4 23.784 0.117 5.835 1.00 0.00 N ATOM 0 H ARG C 4 21.017 0.980 10.572 1.00 0.00 H new ATOM 0 HA ARG C 4 19.738 3.541 10.814 1.00 0.00 H new ATOM 0 HB2 ARG C 4 21.121 3.756 8.521 1.00 0.00 H new ATOM 0 HB3 ARG C 4 21.923 3.723 10.079 1.00 0.00 H new ATOM 0 HG2 ARG C 4 22.938 2.183 8.321 1.00 0.00 H new ATOM 0 HG3 ARG C 4 22.532 1.398 9.834 1.00 0.00 H new ATOM 0 HD2 ARG C 4 20.648 0.281 8.905 1.00 0.00 H new ATOM 0 HD3 ARG C 4 20.450 1.459 7.622 1.00 0.00 H new ATOM 0 HE ARG C 4 22.209 -0.875 7.501 1.00 0.00 H new ATOM 0 HH11 ARG C 4 21.584 2.352 6.383 1.00 0.00 H new ATOM 0 HH12 ARG C 4 22.898 2.345 5.202 1.00 0.00 H new ATOM 0 HH21 ARG C 4 24.075 -0.803 6.166 1.00 0.00 H new ATOM 0 HH22 ARG C 4 24.297 0.573 5.080 1.00 0.00 H new ATOM 619 N ARG C 5 18.494 1.570 8.563 1.00 0.00 N ATOM 620 CA ARG C 5 17.363 1.505 7.588 1.00 0.00 C ATOM 621 C ARG C 5 16.081 1.053 8.291 1.00 0.00 C ATOM 622 O ARG C 5 15.052 0.869 7.668 1.00 0.00 O ATOM 623 CB ARG C 5 17.786 0.509 6.499 1.00 0.00 C ATOM 624 CG ARG C 5 17.304 -0.905 6.819 1.00 0.00 C ATOM 625 CD ARG C 5 18.222 -1.902 6.121 1.00 0.00 C ATOM 626 NE ARG C 5 17.709 -1.967 4.728 1.00 0.00 N ATOM 627 CZ ARG C 5 18.131 -1.113 3.835 1.00 0.00 C ATOM 628 NH1 ARG C 5 19.408 -1.004 3.590 1.00 0.00 N ATOM 629 NH2 ARG C 5 17.276 -0.370 3.188 1.00 0.00 N ATOM 0 H ARG C 5 18.936 0.679 8.787 1.00 0.00 H new ATOM 0 HA ARG C 5 17.152 2.481 7.152 1.00 0.00 H new ATOM 0 HB2 ARG C 5 17.380 0.825 5.538 1.00 0.00 H new ATOM 0 HB3 ARG C 5 18.872 0.512 6.403 1.00 0.00 H new ATOM 0 HG2 ARG C 5 17.313 -1.073 7.896 1.00 0.00 H new ATOM 0 HG3 ARG C 5 16.276 -1.039 6.484 1.00 0.00 H new ATOM 0 HD2 ARG C 5 19.260 -1.571 6.147 1.00 0.00 H new ATOM 0 HD3 ARG C 5 18.187 -2.879 6.603 1.00 0.00 H new ATOM 0 HE ARG C 5 17.027 -2.679 4.469 1.00 0.00 H new ATOM 0 HH11 ARG C 5 20.076 -1.586 4.096 1.00 0.00 H new ATOM 0 HH12 ARG C 5 19.738 -0.337 2.893 1.00 0.00 H new ATOM 0 HH21 ARG C 5 16.278 -0.456 3.380 1.00 0.00 H new ATOM 0 HH22 ARG C 5 17.606 0.297 2.490 1.00 0.00 H new ATOM 643 N PHE C 6 16.130 0.879 9.579 1.00 0.00 N ATOM 644 CA PHE C 6 14.910 0.449 10.311 1.00 0.00 C ATOM 645 C PHE C 6 14.412 1.597 11.200 1.00 0.00 C ATOM 646 O PHE C 6 13.245 1.932 11.198 1.00 0.00 O ATOM 647 CB PHE C 6 15.353 -0.777 11.119 1.00 0.00 C ATOM 648 CG PHE C 6 14.883 -0.698 12.538 1.00 0.00 C ATOM 649 CD1 PHE C 6 15.616 0.035 13.466 1.00 0.00 C ATOM 650 CD2 PHE C 6 13.723 -1.365 12.920 1.00 0.00 C ATOM 651 CE1 PHE C 6 15.187 0.104 14.789 1.00 0.00 C ATOM 652 CE2 PHE C 6 13.290 -1.301 14.241 1.00 0.00 C ATOM 653 CZ PHE C 6 14.020 -0.565 15.181 1.00 0.00 C ATOM 0 H PHE C 6 16.960 1.015 10.156 1.00 0.00 H new ATOM 0 HA PHE C 6 14.075 0.196 9.658 1.00 0.00 H new ATOM 0 HB2 PHE C 6 14.960 -1.681 10.654 1.00 0.00 H new ATOM 0 HB3 PHE C 6 16.440 -0.854 11.098 1.00 0.00 H new ATOM 0 HD1 PHE C 6 16.515 0.549 13.161 1.00 0.00 H new ATOM 0 HD2 PHE C 6 13.160 -1.931 12.193 1.00 0.00 H new ATOM 0 HE1 PHE C 6 15.753 0.672 15.512 1.00 0.00 H new ATOM 0 HE2 PHE C 6 12.391 -1.819 14.541 1.00 0.00 H new ATOM 0 HZ PHE C 6 13.685 -0.513 16.206 1.00 0.00 H new ATOM 663 N PHE C 7 15.289 2.207 11.951 1.00 0.00 N ATOM 664 CA PHE C 7 14.862 3.327 12.821 1.00 0.00 C ATOM 665 C PHE C 7 14.620 4.575 11.970 1.00 0.00 C ATOM 666 O PHE C 7 13.762 5.385 12.265 1.00 0.00 O ATOM 667 CB PHE C 7 16.010 3.520 13.826 1.00 0.00 C ATOM 668 CG PHE C 7 17.015 4.537 13.326 1.00 0.00 C ATOM 669 CD1 PHE C 7 16.681 5.897 13.302 1.00 0.00 C ATOM 670 CD2 PHE C 7 18.287 4.122 12.904 1.00 0.00 C ATOM 671 CE1 PHE C 7 17.610 6.840 12.853 1.00 0.00 C ATOM 672 CE2 PHE C 7 19.217 5.069 12.458 1.00 0.00 C ATOM 673 CZ PHE C 7 18.878 6.427 12.432 1.00 0.00 C ATOM 0 H PHE C 7 16.281 1.974 11.996 1.00 0.00 H new ATOM 0 HA PHE C 7 13.926 3.129 13.344 1.00 0.00 H new ATOM 0 HB2 PHE C 7 15.606 3.846 14.784 1.00 0.00 H new ATOM 0 HB3 PHE C 7 16.509 2.567 13.998 1.00 0.00 H new ATOM 0 HD1 PHE C 7 15.704 6.218 13.631 1.00 0.00 H new ATOM 0 HD2 PHE C 7 18.548 3.074 12.923 1.00 0.00 H new ATOM 0 HE1 PHE C 7 17.348 7.888 12.831 1.00 0.00 H new ATOM 0 HE2 PHE C 7 20.197 4.751 12.134 1.00 0.00 H new ATOM 0 HZ PHE C 7 19.596 7.156 12.087 1.00 0.00 H new ATOM 683 N LYS C 8 15.363 4.727 10.908 1.00 0.00 N ATOM 684 CA LYS C 8 15.170 5.906 10.034 1.00 0.00 C ATOM 685 C LYS C 8 13.759 5.890 9.454 1.00 0.00 C ATOM 686 O LYS C 8 13.059 6.884 9.462 1.00 0.00 O ATOM 687 CB LYS C 8 16.199 5.746 8.933 1.00 0.00 C ATOM 688 CG LYS C 8 17.445 6.562 9.273 1.00 0.00 C ATOM 689 CD LYS C 8 17.741 7.527 8.126 1.00 0.00 C ATOM 690 CE LYS C 8 18.618 6.829 7.085 1.00 0.00 C ATOM 691 NZ LYS C 8 19.819 7.699 6.948 1.00 0.00 N ATOM 0 H LYS C 8 16.095 4.082 10.612 1.00 0.00 H new ATOM 0 HA LYS C 8 15.289 6.849 10.567 1.00 0.00 H new ATOM 0 HB2 LYS C 8 16.461 4.694 8.817 1.00 0.00 H new ATOM 0 HB3 LYS C 8 15.783 6.078 7.982 1.00 0.00 H new ATOM 0 HG2 LYS C 8 17.290 7.115 10.199 1.00 0.00 H new ATOM 0 HG3 LYS C 8 18.295 5.900 9.436 1.00 0.00 H new ATOM 0 HD2 LYS C 8 16.810 7.860 7.668 1.00 0.00 H new ATOM 0 HD3 LYS C 8 18.246 8.416 8.505 1.00 0.00 H new ATOM 0 HE2 LYS C 8 18.893 5.825 7.409 1.00 0.00 H new ATOM 0 HE3 LYS C 8 18.095 6.725 6.134 1.00 0.00 H new ATOM 0 HZ1 LYS C 8 20.469 7.286 6.250 1.00 0.00 H new ATOM 0 HZ2 LYS C 8 19.528 8.646 6.632 1.00 0.00 H new ATOM 0 HZ3 LYS C 8 20.300 7.774 7.867 1.00 0.00 H new ATOM 705 N ALA C 9 13.333 4.759 8.960 1.00 0.00 N ATOM 706 CA ALA C 9 11.969 4.663 8.393 1.00 0.00 C ATOM 707 C ALA C 9 10.958 4.900 9.509 1.00 0.00 C ATOM 708 O ALA C 9 9.866 5.386 9.289 1.00 0.00 O ATOM 709 CB ALA C 9 11.861 3.236 7.852 1.00 0.00 C ATOM 0 H ALA C 9 13.878 3.897 8.927 1.00 0.00 H new ATOM 0 HA ALA C 9 11.776 5.396 7.610 1.00 0.00 H new ATOM 0 HB1 ALA C 9 10.874 3.087 7.414 1.00 0.00 H new ATOM 0 HB2 ALA C 9 12.624 3.077 7.090 1.00 0.00 H new ATOM 0 HB3 ALA C 9 12.008 2.526 8.666 1.00 0.00 H new ATOM 715 N LYS C 10 11.329 4.567 10.714 1.00 0.00 N ATOM 716 CA LYS C 10 10.425 4.772 11.860 1.00 0.00 C ATOM 717 C LYS C 10 10.216 6.267 12.089 1.00 0.00 C ATOM 718 O LYS C 10 9.126 6.778 11.949 1.00 0.00 O ATOM 719 CB LYS C 10 11.159 4.138 13.025 1.00 0.00 C ATOM 720 CG LYS C 10 10.153 3.503 13.978 1.00 0.00 C ATOM 721 CD LYS C 10 9.300 2.496 13.209 1.00 0.00 C ATOM 722 CE LYS C 10 9.205 1.191 14.001 1.00 0.00 C ATOM 723 NZ LYS C 10 7.907 0.587 13.587 1.00 0.00 N ATOM 0 H LYS C 10 12.233 4.157 10.948 1.00 0.00 H new ATOM 0 HA LYS C 10 9.436 4.338 11.715 1.00 0.00 H new ATOM 0 HB2 LYS C 10 11.857 3.384 12.661 1.00 0.00 H new ATOM 0 HB3 LYS C 10 11.748 4.890 13.550 1.00 0.00 H new ATOM 0 HG2 LYS C 10 10.673 3.007 14.797 1.00 0.00 H new ATOM 0 HG3 LYS C 10 9.519 4.271 14.422 1.00 0.00 H new ATOM 0 HD2 LYS C 10 8.303 2.903 13.040 1.00 0.00 H new ATOM 0 HD3 LYS C 10 9.738 2.307 12.229 1.00 0.00 H new ATOM 0 HE2 LYS C 10 10.040 0.528 13.773 1.00 0.00 H new ATOM 0 HE3 LYS C 10 9.230 1.377 15.075 1.00 0.00 H new ATOM 0 HZ1 LYS C 10 7.768 -0.314 14.088 1.00 0.00 H new ATOM 0 HZ2 LYS C 10 7.131 1.238 13.822 1.00 0.00 H new ATOM 0 HZ3 LYS C 10 7.916 0.415 12.561 1.00 0.00 H new ATOM 737 N LYS C 11 11.257 6.976 12.432 1.00 0.00 N ATOM 738 CA LYS C 11 11.113 8.439 12.656 1.00 0.00 C ATOM 739 C LYS C 11 10.252 9.051 11.549 1.00 0.00 C ATOM 740 O LYS C 11 9.456 9.941 11.783 1.00 0.00 O ATOM 741 CB LYS C 11 12.538 8.991 12.594 1.00 0.00 C ATOM 742 CG LYS C 11 13.192 8.872 13.972 1.00 0.00 C ATOM 743 CD LYS C 11 12.327 9.592 15.008 1.00 0.00 C ATOM 744 CE LYS C 11 13.157 9.870 16.264 1.00 0.00 C ATOM 745 NZ LYS C 11 12.169 10.315 17.285 1.00 0.00 N ATOM 0 H LYS C 11 12.198 6.605 12.566 1.00 0.00 H new ATOM 0 HA LYS C 11 10.630 8.670 13.605 1.00 0.00 H new ATOM 0 HB2 LYS C 11 13.120 8.441 11.855 1.00 0.00 H new ATOM 0 HB3 LYS C 11 12.522 10.034 12.276 1.00 0.00 H new ATOM 0 HG2 LYS C 11 13.306 7.822 14.243 1.00 0.00 H new ATOM 0 HG3 LYS C 11 14.192 9.306 13.951 1.00 0.00 H new ATOM 0 HD2 LYS C 11 11.949 10.527 14.595 1.00 0.00 H new ATOM 0 HD3 LYS C 11 11.460 8.982 15.260 1.00 0.00 H new ATOM 0 HE2 LYS C 11 13.689 8.977 16.592 1.00 0.00 H new ATOM 0 HE3 LYS C 11 13.908 10.638 16.079 1.00 0.00 H new ATOM 0 HZ1 LYS C 11 12.662 10.525 18.176 1.00 0.00 H new ATOM 0 HZ2 LYS C 11 11.683 11.171 16.948 1.00 0.00 H new ATOM 0 HZ3 LYS C 11 11.471 9.561 17.445 1.00 0.00 H new ATOM 759 N LEU C 12 10.411 8.581 10.343 1.00 0.00 N ATOM 760 CA LEU C 12 9.617 9.122 9.212 1.00 0.00 C ATOM 761 C LEU C 12 8.123 8.857 9.423 1.00 0.00 C ATOM 762 O LEU C 12 7.287 9.368 8.707 1.00 0.00 O ATOM 763 CB LEU C 12 10.128 8.373 7.985 1.00 0.00 C ATOM 764 CG LEU C 12 11.457 8.982 7.543 1.00 0.00 C ATOM 765 CD1 LEU C 12 12.141 8.044 6.550 1.00 0.00 C ATOM 766 CD2 LEU C 12 11.199 10.334 6.876 1.00 0.00 C ATOM 0 H LEU C 12 11.064 7.838 10.094 1.00 0.00 H new ATOM 0 HA LEU C 12 9.728 10.202 9.112 1.00 0.00 H new ATOM 0 HB2 LEU C 12 10.258 7.316 8.217 1.00 0.00 H new ATOM 0 HB3 LEU C 12 9.399 8.435 7.177 1.00 0.00 H new ATOM 0 HG LEU C 12 12.101 9.122 8.411 1.00 0.00 H new ATOM 0 HD11 LEU C 12 13.090 8.478 6.234 1.00 0.00 H new ATOM 0 HD12 LEU C 12 12.323 7.080 7.026 1.00 0.00 H new ATOM 0 HD13 LEU C 12 11.499 7.903 5.681 1.00 0.00 H new ATOM 0 HD21 LEU C 12 12.146 10.770 6.560 1.00 0.00 H new ATOM 0 HD22 LEU C 12 10.556 10.194 6.007 1.00 0.00 H new ATOM 0 HD23 LEU C 12 10.711 11.002 7.585 1.00 0.00 H new ATOM 778 N ILE C 13 7.781 8.059 10.400 1.00 0.00 N ATOM 779 CA ILE C 13 6.336 7.767 10.645 1.00 0.00 C ATOM 780 C ILE C 13 6.061 7.570 12.125 1.00 0.00 C ATOM 781 O ILE C 13 5.412 6.628 12.534 1.00 0.00 O ATOM 782 CB ILE C 13 6.018 6.489 9.871 1.00 0.00 C ATOM 783 CG1 ILE C 13 7.161 5.480 9.998 1.00 0.00 C ATOM 784 CG2 ILE C 13 5.806 6.825 8.394 1.00 0.00 C ATOM 785 CD1 ILE C 13 6.763 4.379 10.984 1.00 0.00 C ATOM 0 H ILE C 13 8.433 7.599 11.035 1.00 0.00 H new ATOM 0 HA ILE C 13 5.713 8.599 10.317 1.00 0.00 H new ATOM 0 HB ILE C 13 5.112 6.049 10.288 1.00 0.00 H new ATOM 0 HG12 ILE C 13 7.387 5.046 9.024 1.00 0.00 H new ATOM 0 HG13 ILE C 13 8.066 5.981 10.342 1.00 0.00 H new ATOM 0 HG21 ILE C 13 5.579 5.913 7.842 1.00 0.00 H new ATOM 0 HG22 ILE C 13 4.976 7.525 8.296 1.00 0.00 H new ATOM 0 HG23 ILE C 13 6.712 7.278 7.990 1.00 0.00 H new ATOM 0 HD11 ILE C 13 7.577 3.660 11.075 1.00 0.00 H new ATOM 0 HD12 ILE C 13 6.559 4.821 11.959 1.00 0.00 H new ATOM 0 HD13 ILE C 13 5.869 3.871 10.621 1.00 0.00 H new ATOM 797 N GLU C 14 6.565 8.447 12.926 1.00 0.00 N ATOM 798 CA GLU C 14 6.369 8.334 14.379 1.00 0.00 C ATOM 799 C GLU C 14 5.957 9.685 14.975 1.00 0.00 C ATOM 800 O GLU C 14 5.809 9.757 16.185 1.00 0.00 O ATOM 801 CB GLU C 14 7.740 7.913 14.864 1.00 0.00 C ATOM 802 CG GLU C 14 8.068 6.541 14.282 1.00 0.00 C ATOM 803 CD GLU C 14 7.570 5.444 15.226 1.00 0.00 C ATOM 804 OE1 GLU C 14 7.922 5.490 16.394 1.00 0.00 O ATOM 805 OE2 GLU C 14 6.845 4.578 14.765 1.00 0.00 O ATOM 806 OXT GLU C 14 5.799 10.624 14.213 1.00 0.00 O ATOM 0 H GLU C 14 7.115 9.253 12.628 1.00 0.00 H new ATOM 0 HA GLU C 14 5.581 7.638 14.665 1.00 0.00 H new ATOM 0 HB2 GLU C 14 8.489 8.642 14.556 1.00 0.00 H new ATOM 0 HB3 GLU C 14 7.760 7.875 15.953 1.00 0.00 H new ATOM 0 HG2 GLU C 14 7.602 6.430 13.303 1.00 0.00 H new ATOM 0 HG3 GLU C 14 9.144 6.446 14.135 1.00 0.00 H new TER 813 GLU C 14 ATOM 814 N CYS D 1 26.805 -3.697 2.865 1.00 0.00 N ATOM 815 CA CYS D 1 25.561 -3.321 3.600 1.00 0.00 C ATOM 816 C CYS D 1 24.742 -2.341 2.777 1.00 0.00 C ATOM 817 O CYS D 1 24.598 -1.183 3.116 1.00 0.00 O ATOM 818 CB CYS D 1 26.043 -2.667 4.891 1.00 0.00 C ATOM 819 SG CYS D 1 26.853 -3.905 5.934 1.00 0.00 S ATOM 0 H1 CYS D 1 27.527 -4.013 3.544 1.00 0.00 H new ATOM 0 H2 CYS D 1 26.595 -4.468 2.199 1.00 0.00 H new ATOM 0 H3 CYS D 1 27.160 -2.873 2.340 1.00 0.00 H new ATOM 0 HA CYS D 1 24.922 -4.182 3.796 1.00 0.00 H new ATOM 0 HB2 CYS D 1 26.737 -1.858 4.663 1.00 0.00 H new ATOM 0 HB3 CYS D 1 25.201 -2.224 5.422 1.00 0.00 H new ATOM 826 N TYR D 2 24.195 -2.816 1.705 1.00 0.00 N ATOM 827 CA TYR D 2 23.366 -1.956 0.833 1.00 0.00 C ATOM 828 C TYR D 2 22.959 -2.784 -0.390 1.00 0.00 C ATOM 829 O TYR D 2 21.885 -2.629 -0.935 1.00 0.00 O ATOM 830 CB TYR D 2 24.265 -0.751 0.479 1.00 0.00 C ATOM 831 CG TYR D 2 24.785 -0.869 -0.928 1.00 0.00 C ATOM 832 CD1 TYR D 2 23.909 -0.740 -2.009 1.00 0.00 C ATOM 833 CD2 TYR D 2 26.139 -1.119 -1.147 1.00 0.00 C ATOM 834 CE1 TYR D 2 24.389 -0.862 -3.312 1.00 0.00 C ATOM 835 CE2 TYR D 2 26.623 -1.241 -2.449 1.00 0.00 C ATOM 836 CZ TYR D 2 25.748 -1.113 -3.536 1.00 0.00 C ATOM 837 OH TYR D 2 26.226 -1.234 -4.826 1.00 0.00 O ATOM 0 H TYR D 2 24.289 -3.782 1.390 1.00 0.00 H new ATOM 0 HA TYR D 2 22.445 -1.597 1.293 1.00 0.00 H new ATOM 0 HB2 TYR D 2 23.699 0.175 0.586 1.00 0.00 H new ATOM 0 HB3 TYR D 2 25.100 -0.697 1.177 1.00 0.00 H new ATOM 0 HD1 TYR D 2 22.861 -0.546 -1.835 1.00 0.00 H new ATOM 0 HD2 TYR D 2 26.813 -1.218 -0.309 1.00 0.00 H new ATOM 0 HE1 TYR D 2 23.713 -0.763 -4.148 1.00 0.00 H new ATOM 0 HE2 TYR D 2 27.672 -1.434 -2.620 1.00 0.00 H new ATOM 0 HH TYR D 2 27.191 -1.406 -4.803 1.00 0.00 H new ATOM 847 N LEU D 3 23.809 -3.686 -0.799 1.00 0.00 N ATOM 848 CA LEU D 3 23.468 -4.552 -1.955 1.00 0.00 C ATOM 849 C LEU D 3 22.069 -5.099 -1.733 1.00 0.00 C ATOM 850 O LEU D 3 21.162 -4.866 -2.508 1.00 0.00 O ATOM 851 CB LEU D 3 24.490 -5.674 -1.922 1.00 0.00 C ATOM 852 CG LEU D 3 25.678 -5.308 -2.784 1.00 0.00 C ATOM 853 CD1 LEU D 3 26.303 -4.016 -2.266 1.00 0.00 C ATOM 854 CD2 LEU D 3 26.710 -6.433 -2.729 1.00 0.00 C ATOM 0 H LEU D 3 24.723 -3.858 -0.381 1.00 0.00 H new ATOM 0 HA LEU D 3 23.487 -4.031 -2.912 1.00 0.00 H new ATOM 0 HB2 LEU D 3 24.814 -5.854 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU D 3 24.040 -6.600 -2.281 1.00 0.00 H new ATOM 0 HG LEU D 3 25.351 -5.165 -3.814 1.00 0.00 H new ATOM 0 HD11 LEU D 3 27.159 -3.752 -2.887 1.00 0.00 H new ATOM 0 HD12 LEU D 3 25.566 -3.214 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU D 3 26.631 -4.158 -1.236 1.00 0.00 H new ATOM 0 HD21 LEU D 3 27.567 -6.171 -3.350 1.00 0.00 H new ATOM 0 HD22 LEU D 3 27.038 -6.576 -1.699 1.00 0.00 H new ATOM 0 HD23 LEU D 3 26.263 -7.356 -3.099 1.00 0.00 H new ATOM 866 N ARG D 4 21.886 -5.802 -0.653 1.00 0.00 N ATOM 867 CA ARG D 4 20.542 -6.338 -0.348 1.00 0.00 C ATOM 868 C ARG D 4 19.519 -5.229 -0.564 1.00 0.00 C ATOM 869 O ARG D 4 18.370 -5.478 -0.861 1.00 0.00 O ATOM 870 CB ARG D 4 20.605 -6.761 1.124 1.00 0.00 C ATOM 871 CG ARG D 4 20.787 -5.528 2.018 1.00 0.00 C ATOM 872 CD ARG D 4 22.276 -5.223 2.189 1.00 0.00 C ATOM 873 NE ARG D 4 22.342 -4.315 3.366 1.00 0.00 N ATOM 874 CZ ARG D 4 21.859 -4.702 4.517 1.00 0.00 C ATOM 875 NH1 ARG D 4 22.606 -5.385 5.341 1.00 0.00 N ATOM 876 NH2 ARG D 4 20.631 -4.406 4.843 1.00 0.00 N ATOM 0 H ARG D 4 22.611 -6.026 0.029 1.00 0.00 H new ATOM 0 HA ARG D 4 20.254 -7.178 -0.980 1.00 0.00 H new ATOM 0 HB2 ARG D 4 19.691 -7.288 1.399 1.00 0.00 H new ATOM 0 HB3 ARG D 4 21.431 -7.456 1.276 1.00 0.00 H new ATOM 0 HG2 ARG D 4 20.280 -4.670 1.577 1.00 0.00 H new ATOM 0 HG3 ARG D 4 20.329 -5.703 2.991 1.00 0.00 H new ATOM 0 HD2 ARG D 4 22.850 -6.134 2.359 1.00 0.00 H new ATOM 0 HD3 ARG D 4 22.688 -4.748 1.299 1.00 0.00 H new ATOM 0 HE ARG D 4 22.764 -3.391 3.274 1.00 0.00 H new ATOM 0 HH11 ARG D 4 23.566 -5.616 5.086 1.00 0.00 H new ATOM 0 HH12 ARG D 4 22.230 -5.687 6.240 1.00 0.00 H new ATOM 0 HH21 ARG D 4 20.047 -3.872 4.199 1.00 0.00 H new ATOM 0 HH22 ARG D 4 20.255 -4.708 5.742 1.00 0.00 H new ATOM 890 N ARG D 5 19.937 -3.997 -0.424 1.00 0.00 N ATOM 891 CA ARG D 5 18.990 -2.866 -0.635 1.00 0.00 C ATOM 892 C ARG D 5 19.034 -2.404 -2.099 1.00 0.00 C ATOM 893 O ARG D 5 18.105 -1.801 -2.597 1.00 0.00 O ATOM 894 CB ARG D 5 19.459 -1.765 0.334 1.00 0.00 C ATOM 895 CG ARG D 5 20.094 -0.589 -0.425 1.00 0.00 C ATOM 896 CD ARG D 5 21.020 0.187 0.510 1.00 0.00 C ATOM 897 NE ARG D 5 20.331 1.488 0.742 1.00 0.00 N ATOM 898 CZ ARG D 5 20.934 2.607 0.446 1.00 0.00 C ATOM 899 NH1 ARG D 5 22.108 2.868 0.950 1.00 0.00 N ATOM 900 NH2 ARG D 5 20.361 3.466 -0.353 1.00 0.00 N ATOM 0 H ARG D 5 20.889 -3.728 -0.174 1.00 0.00 H new ATOM 0 HA ARG D 5 17.953 -3.141 -0.440 1.00 0.00 H new ATOM 0 HB2 ARG D 5 18.612 -1.408 0.920 1.00 0.00 H new ATOM 0 HB3 ARG D 5 20.181 -2.180 1.037 1.00 0.00 H new ATOM 0 HG2 ARG D 5 20.655 -0.958 -1.284 1.00 0.00 H new ATOM 0 HG3 ARG D 5 19.316 0.070 -0.811 1.00 0.00 H new ATOM 0 HD2 ARG D 5 21.176 -0.350 1.446 1.00 0.00 H new ATOM 0 HD3 ARG D 5 22.002 0.335 0.060 1.00 0.00 H new ATOM 0 HE ARG D 5 19.389 1.504 1.132 1.00 0.00 H new ATOM 0 HH11 ARG D 5 22.555 2.198 1.575 1.00 0.00 H new ATOM 0 HH12 ARG D 5 22.579 3.742 0.719 1.00 0.00 H new ATOM 0 HH21 ARG D 5 19.442 3.263 -0.746 1.00 0.00 H new ATOM 0 HH22 ARG D 5 20.832 4.340 -0.584 1.00 0.00 H new ATOM 914 N PHE D 6 20.111 -2.673 -2.783 1.00 0.00 N ATOM 915 CA PHE D 6 20.218 -2.236 -4.204 1.00 0.00 C ATOM 916 C PHE D 6 19.715 -3.337 -5.148 1.00 0.00 C ATOM 917 O PHE D 6 18.958 -3.078 -6.062 1.00 0.00 O ATOM 918 CB PHE D 6 21.710 -1.930 -4.403 1.00 0.00 C ATOM 919 CG PHE D 6 22.282 -2.680 -5.569 1.00 0.00 C ATOM 920 CD1 PHE D 6 22.702 -3.999 -5.405 1.00 0.00 C ATOM 921 CD2 PHE D 6 22.399 -2.052 -6.807 1.00 0.00 C ATOM 922 CE1 PHE D 6 23.243 -4.693 -6.483 1.00 0.00 C ATOM 923 CE2 PHE D 6 22.937 -2.743 -7.888 1.00 0.00 C ATOM 924 CZ PHE D 6 23.362 -4.068 -7.730 1.00 0.00 C ATOM 0 H PHE D 6 20.921 -3.176 -2.421 1.00 0.00 H new ATOM 0 HA PHE D 6 19.603 -1.364 -4.428 1.00 0.00 H new ATOM 0 HB2 PHE D 6 21.844 -0.859 -4.559 1.00 0.00 H new ATOM 0 HB3 PHE D 6 22.259 -2.192 -3.498 1.00 0.00 H new ATOM 0 HD1 PHE D 6 22.608 -4.481 -4.443 1.00 0.00 H new ATOM 0 HD2 PHE D 6 22.072 -1.030 -6.927 1.00 0.00 H new ATOM 0 HE1 PHE D 6 23.571 -5.714 -6.358 1.00 0.00 H new ATOM 0 HE2 PHE D 6 23.027 -2.258 -8.849 1.00 0.00 H new ATOM 0 HZ PHE D 6 23.780 -4.606 -8.568 1.00 0.00 H new ATOM 934 N PHE D 7 20.132 -4.559 -4.948 1.00 0.00 N ATOM 935 CA PHE D 7 19.675 -5.642 -5.851 1.00 0.00 C ATOM 936 C PHE D 7 18.215 -5.996 -5.551 1.00 0.00 C ATOM 937 O PHE D 7 17.511 -6.525 -6.388 1.00 0.00 O ATOM 938 CB PHE D 7 20.638 -6.818 -5.601 1.00 0.00 C ATOM 939 CG PHE D 7 20.045 -7.833 -4.647 1.00 0.00 C ATOM 940 CD1 PHE D 7 18.966 -8.631 -5.047 1.00 0.00 C ATOM 941 CD2 PHE D 7 20.590 -7.984 -3.367 1.00 0.00 C ATOM 942 CE1 PHE D 7 18.432 -9.579 -4.167 1.00 0.00 C ATOM 943 CE2 PHE D 7 20.055 -8.931 -2.485 1.00 0.00 C ATOM 944 CZ PHE D 7 18.976 -9.728 -2.885 1.00 0.00 C ATOM 0 H PHE D 7 20.765 -4.848 -4.202 1.00 0.00 H new ATOM 0 HA PHE D 7 19.696 -5.355 -6.902 1.00 0.00 H new ATOM 0 HB2 PHE D 7 20.874 -7.303 -6.548 1.00 0.00 H new ATOM 0 HB3 PHE D 7 21.576 -6.440 -5.194 1.00 0.00 H new ATOM 0 HD1 PHE D 7 18.546 -8.515 -6.035 1.00 0.00 H new ATOM 0 HD2 PHE D 7 21.423 -7.370 -3.059 1.00 0.00 H new ATOM 0 HE1 PHE D 7 17.601 -10.195 -4.476 1.00 0.00 H new ATOM 0 HE2 PHE D 7 20.475 -9.046 -1.497 1.00 0.00 H new ATOM 0 HZ PHE D 7 18.563 -10.458 -2.205 1.00 0.00 H new ATOM 954 N LYS D 8 17.753 -5.701 -4.368 1.00 0.00 N ATOM 955 CA LYS D 8 16.343 -6.012 -4.028 1.00 0.00 C ATOM 956 C LYS D 8 15.401 -5.262 -4.971 1.00 0.00 C ATOM 957 O LYS D 8 14.539 -5.845 -5.598 1.00 0.00 O ATOM 958 CB LYS D 8 16.160 -5.535 -2.597 1.00 0.00 C ATOM 959 CG LYS D 8 16.068 -6.742 -1.657 1.00 0.00 C ATOM 960 CD LYS D 8 15.513 -6.293 -0.303 1.00 0.00 C ATOM 961 CE LYS D 8 16.417 -6.807 0.822 1.00 0.00 C ATOM 962 NZ LYS D 8 15.493 -7.107 1.951 1.00 0.00 N ATOM 0 H LYS D 8 18.293 -5.258 -3.624 1.00 0.00 H new ATOM 0 HA LYS D 8 16.119 -7.074 -4.129 1.00 0.00 H new ATOM 0 HB2 LYS D 8 16.996 -4.898 -2.306 1.00 0.00 H new ATOM 0 HB3 LYS D 8 15.256 -4.931 -2.518 1.00 0.00 H new ATOM 0 HG2 LYS D 8 15.423 -7.506 -2.091 1.00 0.00 H new ATOM 0 HG3 LYS D 8 17.053 -7.192 -1.528 1.00 0.00 H new ATOM 0 HD2 LYS D 8 15.453 -5.205 -0.266 1.00 0.00 H new ATOM 0 HD3 LYS D 8 14.500 -6.673 -0.171 1.00 0.00 H new ATOM 0 HE2 LYS D 8 16.965 -7.697 0.513 1.00 0.00 H new ATOM 0 HE3 LYS D 8 17.158 -6.060 1.106 1.00 0.00 H new ATOM 0 HZ1 LYS D 8 16.030 -7.134 2.841 1.00 0.00 H new ATOM 0 HZ2 LYS D 8 14.764 -6.368 2.009 1.00 0.00 H new ATOM 0 HZ3 LYS D 8 15.039 -8.029 1.793 1.00 0.00 H new ATOM 976 N ALA D 9 15.569 -3.971 -5.086 1.00 0.00 N ATOM 977 CA ALA D 9 14.698 -3.187 -5.995 1.00 0.00 C ATOM 978 C ALA D 9 15.023 -3.564 -7.437 1.00 0.00 C ATOM 979 O ALA D 9 14.236 -3.372 -8.341 1.00 0.00 O ATOM 980 CB ALA D 9 15.046 -1.723 -5.725 1.00 0.00 C ATOM 0 H ALA D 9 16.274 -3.429 -4.587 1.00 0.00 H new ATOM 0 HA ALA D 9 13.636 -3.375 -5.834 1.00 0.00 H new ATOM 0 HB1 ALA D 9 14.439 -1.081 -6.363 1.00 0.00 H new ATOM 0 HB2 ALA D 9 14.846 -1.488 -4.679 1.00 0.00 H new ATOM 0 HB3 ALA D 9 16.101 -1.554 -5.939 1.00 0.00 H new ATOM 986 N LYS D 10 16.188 -4.106 -7.647 1.00 0.00 N ATOM 987 CA LYS D 10 16.591 -4.512 -9.009 1.00 0.00 C ATOM 988 C LYS D 10 15.691 -5.638 -9.508 1.00 0.00 C ATOM 989 O LYS D 10 14.960 -5.483 -10.464 1.00 0.00 O ATOM 990 CB LYS D 10 18.021 -4.995 -8.858 1.00 0.00 C ATOM 991 CG LYS D 10 18.759 -4.830 -10.184 1.00 0.00 C ATOM 992 CD LYS D 10 19.588 -3.545 -10.148 1.00 0.00 C ATOM 993 CE LYS D 10 19.598 -2.906 -11.538 1.00 0.00 C ATOM 994 NZ LYS D 10 18.830 -1.639 -11.383 1.00 0.00 N ATOM 0 H LYS D 10 16.882 -4.285 -6.921 1.00 0.00 H new ATOM 0 HA LYS D 10 16.508 -3.699 -9.731 1.00 0.00 H new ATOM 0 HB2 LYS D 10 18.526 -4.428 -8.076 1.00 0.00 H new ATOM 0 HB3 LYS D 10 18.032 -6.041 -8.552 1.00 0.00 H new ATOM 0 HG2 LYS D 10 19.407 -5.689 -10.362 1.00 0.00 H new ATOM 0 HG3 LYS D 10 18.046 -4.793 -11.007 1.00 0.00 H new ATOM 0 HD2 LYS D 10 19.170 -2.850 -9.420 1.00 0.00 H new ATOM 0 HD3 LYS D 10 20.607 -3.766 -9.830 1.00 0.00 H new ATOM 0 HE2 LYS D 10 20.616 -2.712 -11.876 1.00 0.00 H new ATOM 0 HE3 LYS D 10 19.136 -3.560 -12.277 1.00 0.00 H new ATOM 0 HZ1 LYS D 10 18.318 -1.433 -12.265 1.00 0.00 H new ATOM 0 HZ2 LYS D 10 18.149 -1.739 -10.603 1.00 0.00 H new ATOM 0 HZ3 LYS D 10 19.485 -0.859 -11.173 1.00 0.00 H new ATOM 1008 N LYS D 11 15.737 -6.776 -8.871 1.00 0.00 N ATOM 1009 CA LYS D 11 14.880 -7.903 -9.319 1.00 0.00 C ATOM 1010 C LYS D 11 13.462 -7.393 -9.609 1.00 0.00 C ATOM 1011 O LYS D 11 12.766 -7.912 -10.459 1.00 0.00 O ATOM 1012 CB LYS D 11 14.910 -8.910 -8.165 1.00 0.00 C ATOM 1013 CG LYS D 11 13.809 -8.585 -7.165 1.00 0.00 C ATOM 1014 CD LYS D 11 12.513 -9.262 -7.609 1.00 0.00 C ATOM 1015 CE LYS D 11 12.460 -10.685 -7.050 1.00 0.00 C ATOM 1016 NZ LYS D 11 11.105 -10.811 -6.447 1.00 0.00 N ATOM 0 H LYS D 11 16.329 -6.971 -8.064 1.00 0.00 H new ATOM 0 HA LYS D 11 15.229 -8.366 -10.242 1.00 0.00 H new ATOM 0 HB2 LYS D 11 14.777 -9.921 -8.550 1.00 0.00 H new ATOM 0 HB3 LYS D 11 15.881 -8.882 -7.671 1.00 0.00 H new ATOM 0 HG2 LYS D 11 14.091 -8.929 -6.170 1.00 0.00 H new ATOM 0 HG3 LYS D 11 13.666 -7.506 -7.100 1.00 0.00 H new ATOM 0 HD2 LYS D 11 11.654 -8.690 -7.258 1.00 0.00 H new ATOM 0 HD3 LYS D 11 12.458 -9.286 -8.697 1.00 0.00 H new ATOM 0 HE2 LYS D 11 12.612 -11.424 -7.837 1.00 0.00 H new ATOM 0 HE3 LYS D 11 13.240 -10.846 -6.306 1.00 0.00 H new ATOM 0 HZ1 LYS D 11 10.992 -11.762 -6.042 1.00 0.00 H new ATOM 0 HZ2 LYS D 11 10.991 -10.099 -5.697 1.00 0.00 H new ATOM 0 HZ3 LYS D 11 10.383 -10.660 -7.180 1.00 0.00 H new ATOM 1030 N LEU D 12 13.035 -6.376 -8.908 1.00 0.00 N ATOM 1031 CA LEU D 12 11.674 -5.826 -9.138 1.00 0.00 C ATOM 1032 C LEU D 12 11.590 -5.181 -10.526 1.00 0.00 C ATOM 1033 O LEU D 12 10.524 -4.837 -10.996 1.00 0.00 O ATOM 1034 CB LEU D 12 11.480 -4.774 -8.047 1.00 0.00 C ATOM 1035 CG LEU D 12 10.962 -5.446 -6.776 1.00 0.00 C ATOM 1036 CD1 LEU D 12 10.774 -4.395 -5.683 1.00 0.00 C ATOM 1037 CD2 LEU D 12 9.620 -6.119 -7.069 1.00 0.00 C ATOM 0 H LEU D 12 13.575 -5.903 -8.184 1.00 0.00 H new ATOM 0 HA LEU D 12 10.906 -6.599 -9.100 1.00 0.00 H new ATOM 0 HB2 LEU D 12 12.423 -4.267 -7.844 1.00 0.00 H new ATOM 0 HB3 LEU D 12 10.775 -4.013 -8.382 1.00 0.00 H new ATOM 0 HG LEU D 12 11.681 -6.194 -6.441 1.00 0.00 H new ATOM 0 HD11 LEU D 12 10.405 -4.875 -4.777 1.00 0.00 H new ATOM 0 HD12 LEU D 12 11.729 -3.912 -5.475 1.00 0.00 H new ATOM 0 HD13 LEU D 12 10.054 -3.647 -6.017 1.00 0.00 H new ATOM 0 HD21 LEU D 12 9.248 -6.599 -6.164 1.00 0.00 H new ATOM 0 HD22 LEU D 12 8.902 -5.370 -7.403 1.00 0.00 H new ATOM 0 HD23 LEU D 12 9.752 -6.869 -7.849 1.00 0.00 H new ATOM 1049 N ILE D 13 12.706 -5.018 -11.185 1.00 0.00 N ATOM 1050 CA ILE D 13 12.686 -4.399 -12.544 1.00 0.00 C ATOM 1051 C ILE D 13 13.725 -5.045 -13.440 1.00 0.00 C ATOM 1052 O ILE D 13 14.459 -4.386 -14.149 1.00 0.00 O ATOM 1053 CB ILE D 13 13.000 -2.915 -12.355 1.00 0.00 C ATOM 1054 CG1 ILE D 13 14.083 -2.719 -11.289 1.00 0.00 C ATOM 1055 CG2 ILE D 13 11.734 -2.171 -11.932 1.00 0.00 C ATOM 1056 CD1 ILE D 13 15.447 -2.587 -11.968 1.00 0.00 C ATOM 0 H ILE D 13 13.629 -5.286 -10.843 1.00 0.00 H new ATOM 0 HA ILE D 13 11.715 -4.539 -13.019 1.00 0.00 H new ATOM 0 HB ILE D 13 13.365 -2.518 -13.302 1.00 0.00 H new ATOM 0 HG12 ILE D 13 13.871 -1.828 -10.699 1.00 0.00 H new ATOM 0 HG13 ILE D 13 14.088 -3.564 -10.600 1.00 0.00 H new ATOM 0 HG21 ILE D 13 11.961 -1.113 -11.798 1.00 0.00 H new ATOM 0 HG22 ILE D 13 10.971 -2.284 -12.702 1.00 0.00 H new ATOM 0 HG23 ILE D 13 11.365 -2.585 -10.993 1.00 0.00 H new ATOM 0 HD11 ILE D 13 16.218 -2.447 -11.211 1.00 0.00 H new ATOM 0 HD12 ILE D 13 15.658 -3.491 -12.539 1.00 0.00 H new ATOM 0 HD13 ILE D 13 15.438 -1.728 -12.639 1.00 0.00 H new ATOM 1068 N GLU D 14 13.795 -6.330 -13.394 1.00 0.00 N ATOM 1069 CA GLU D 14 14.778 -7.057 -14.208 1.00 0.00 C ATOM 1070 C GLU D 14 14.096 -8.152 -15.034 1.00 0.00 C ATOM 1071 O GLU D 14 13.653 -7.852 -16.130 1.00 0.00 O ATOM 1072 CB GLU D 14 15.693 -7.650 -13.160 1.00 0.00 C ATOM 1073 CG GLU D 14 16.366 -6.512 -12.400 1.00 0.00 C ATOM 1074 CD GLU D 14 17.756 -6.254 -12.985 1.00 0.00 C ATOM 1075 OE1 GLU D 14 17.837 -5.564 -13.987 1.00 0.00 O ATOM 1076 OE2 GLU D 14 18.716 -6.748 -12.417 1.00 0.00 O ATOM 1077 OXT GLU D 14 14.033 -9.274 -14.557 1.00 0.00 O ATOM 0 H GLU D 14 13.199 -6.920 -12.813 1.00 0.00 H new ATOM 0 HA GLU D 14 15.299 -6.431 -14.932 1.00 0.00 H new ATOM 0 HB2 GLU D 14 15.125 -8.279 -12.474 1.00 0.00 H new ATOM 0 HB3 GLU D 14 16.443 -8.287 -13.629 1.00 0.00 H new ATOM 0 HG2 GLU D 14 15.759 -5.609 -12.466 1.00 0.00 H new ATOM 0 HG3 GLU D 14 16.447 -6.765 -11.343 1.00 0.00 H new TER 1084 GLU D 14