USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=12 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+ 160:sc= 0.263 (180deg=0.121) 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+ -135:sc= -0.253 (180deg=-1.35!) USER MOD Single : B 1 CYS N :NH3+ -159:sc= -0.97 (180deg=-2.22!) 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= 0.249 (180deg=0.115) USER MOD Single : C 1 CYS SG : rot 50:sc= 0.371! USER MOD Single : C 2 TYR OH : rot 51:sc= -6.04! USER MOD Single : C 8 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0374) USER MOD Single : C 10 LYS NZ :NH3+ -117:sc= 0.425 (180deg=-0.256) USER MOD Single : C 11 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.111) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 4.332 6.532 -8.935 1.00 0.00 N ATOM 2 CA CYS A 1 4.633 6.217 -7.507 1.00 0.00 C ATOM 3 C CYS A 1 5.459 4.939 -7.415 1.00 0.00 C ATOM 4 O CYS A 1 4.992 3.907 -6.977 1.00 0.00 O ATOM 5 CB CYS A 1 3.269 6.028 -6.845 1.00 0.00 C ATOM 6 SG CYS A 1 2.396 7.613 -6.790 1.00 0.00 S ATOM 0 H1 CYS A 1 3.517 7.176 -8.984 1.00 0.00 H new ATOM 0 H2 CYS A 1 5.159 6.987 -9.372 1.00 0.00 H new ATOM 0 H3 CYS A 1 4.110 5.653 -9.445 1.00 0.00 H new ATOM 0 HA CYS A 1 5.212 7.003 -7.022 1.00 0.00 H new ATOM 0 HB2 CYS A 1 2.682 5.297 -7.401 1.00 0.00 H new ATOM 0 HB3 CYS A 1 3.394 5.635 -5.836 1.00 0.00 H new ATOM 13 N TYR A 2 6.689 5.019 -7.818 1.00 0.00 N ATOM 14 CA TYR A 2 7.584 3.841 -7.763 1.00 0.00 C ATOM 15 C TYR A 2 8.918 4.259 -8.363 1.00 0.00 C ATOM 16 O TYR A 2 9.973 3.822 -7.955 1.00 0.00 O ATOM 17 CB TYR A 2 6.878 2.748 -8.592 1.00 0.00 C ATOM 18 CG TYR A 2 7.463 2.697 -9.983 1.00 0.00 C ATOM 19 CD1 TYR A 2 8.736 2.155 -10.174 1.00 0.00 C ATOM 20 CD2 TYR A 2 6.748 3.211 -11.067 1.00 0.00 C ATOM 21 CE1 TYR A 2 9.299 2.123 -11.447 1.00 0.00 C ATOM 22 CE2 TYR A 2 7.310 3.183 -12.347 1.00 0.00 C ATOM 23 CZ TYR A 2 8.587 2.639 -12.540 1.00 0.00 C ATOM 24 OH TYR A 2 9.143 2.610 -13.803 1.00 0.00 O ATOM 0 H TYR A 2 7.119 5.866 -8.190 1.00 0.00 H new ATOM 0 HA TYR A 2 7.776 3.465 -6.758 1.00 0.00 H new ATOM 0 HB2 TYR A 2 6.992 1.780 -8.105 1.00 0.00 H new ATOM 0 HB3 TYR A 2 5.809 2.954 -8.645 1.00 0.00 H new ATOM 0 HD1 TYR A 2 9.285 1.760 -9.332 1.00 0.00 H new ATOM 0 HD2 TYR A 2 5.764 3.629 -10.917 1.00 0.00 H new ATOM 0 HE1 TYR A 2 10.283 1.701 -11.593 1.00 0.00 H new ATOM 0 HE2 TYR A 2 6.760 3.581 -13.187 1.00 0.00 H new ATOM 0 HH TYR A 2 8.517 3.006 -14.445 1.00 0.00 H new ATOM 34 N LEU A 3 8.867 5.133 -9.323 1.00 0.00 N ATOM 35 CA LEU A 3 10.105 5.624 -9.937 1.00 0.00 C ATOM 36 C LEU A 3 11.073 6.002 -8.829 1.00 0.00 C ATOM 37 O LEU A 3 12.144 5.445 -8.707 1.00 0.00 O ATOM 38 CB LEU A 3 9.670 6.837 -10.718 1.00 0.00 C ATOM 39 CG LEU A 3 10.679 7.078 -11.800 1.00 0.00 C ATOM 40 CD1 LEU A 3 10.028 6.876 -13.165 1.00 0.00 C ATOM 41 CD2 LEU A 3 11.220 8.497 -11.671 1.00 0.00 C ATOM 0 H LEU A 3 8.007 5.527 -9.706 1.00 0.00 H new ATOM 0 HA LEU A 3 10.607 4.896 -10.575 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.681 6.679 -11.148 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.598 7.706 -10.064 1.00 0.00 H new ATOM 0 HG LEU A 3 11.504 6.372 -11.702 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.765 7.052 -13.949 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.653 5.855 -13.242 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.201 7.576 -13.281 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.955 8.679 -12.455 1.00 0.00 H new ATOM 0 HD22 LEU A 3 10.401 9.209 -11.769 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.692 8.619 -10.696 1.00 0.00 H new ATOM 53 N ARG A 4 10.686 6.925 -7.997 1.00 0.00 N ATOM 54 CA ARG A 4 11.566 7.304 -6.867 1.00 0.00 C ATOM 55 C ARG A 4 12.089 6.023 -6.214 1.00 0.00 C ATOM 56 O ARG A 4 13.154 5.996 -5.631 1.00 0.00 O ATOM 57 CB ARG A 4 10.668 8.093 -5.906 1.00 0.00 C ATOM 58 CG ARG A 4 9.542 7.194 -5.374 1.00 0.00 C ATOM 59 CD ARG A 4 8.336 7.257 -6.318 1.00 0.00 C ATOM 60 NE ARG A 4 7.184 6.781 -5.506 1.00 0.00 N ATOM 61 CZ ARG A 4 6.756 7.489 -4.498 1.00 0.00 C ATOM 62 NH1 ARG A 4 6.310 8.700 -4.694 1.00 0.00 N ATOM 63 NH2 ARG A 4 6.775 6.988 -3.293 1.00 0.00 N ATOM 0 H ARG A 4 9.802 7.430 -8.052 1.00 0.00 H new ATOM 0 HA ARG A 4 12.428 7.900 -7.166 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.260 8.476 -5.075 1.00 0.00 H new ATOM 0 HB3 ARG A 4 10.243 8.956 -6.419 1.00 0.00 H new ATOM 0 HG2 ARG A 4 9.895 6.166 -5.288 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.250 7.515 -4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 4 8.171 8.272 -6.680 1.00 0.00 H new ATOM 0 HD3 ARG A 4 8.488 6.627 -7.194 1.00 0.00 H new ATOM 0 HE ARG A 4 6.728 5.899 -5.738 1.00 0.00 H new ATOM 0 HH11 ARG A 4 6.296 9.092 -5.635 1.00 0.00 H new ATOM 0 HH12 ARG A 4 5.975 9.254 -3.906 1.00 0.00 H new ATOM 0 HH21 ARG A 4 7.125 6.042 -3.139 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.440 7.542 -2.505 1.00 0.00 H new ATOM 77 N ARG A 5 11.339 4.954 -6.322 1.00 0.00 N ATOM 78 CA ARG A 5 11.785 3.661 -5.726 1.00 0.00 C ATOM 79 C ARG A 5 12.521 2.811 -6.767 1.00 0.00 C ATOM 80 O ARG A 5 13.208 1.865 -6.437 1.00 0.00 O ATOM 81 CB ARG A 5 10.509 2.972 -5.270 1.00 0.00 C ATOM 82 CG ARG A 5 9.891 3.750 -4.112 1.00 0.00 C ATOM 83 CD ARG A 5 8.377 3.795 -4.298 1.00 0.00 C ATOM 84 NE ARG A 5 7.981 2.385 -4.564 1.00 0.00 N ATOM 85 CZ ARG A 5 6.751 2.107 -4.895 1.00 0.00 C ATOM 86 NH1 ARG A 5 5.761 2.637 -4.231 1.00 0.00 N ATOM 87 NH2 ARG A 5 6.509 1.303 -5.894 1.00 0.00 N ATOM 0 H ARG A 5 10.437 4.923 -6.798 1.00 0.00 H new ATOM 0 HA ARG A 5 12.482 3.811 -4.901 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.802 2.910 -6.097 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.727 1.950 -4.959 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.140 3.275 -3.163 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.297 4.761 -4.078 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.881 4.183 -3.408 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.100 4.446 -5.127 1.00 0.00 H new ATOM 0 HE ARG A 5 8.671 1.638 -4.487 1.00 0.00 H new ATOM 0 HH11 ARG A 5 5.949 3.269 -3.453 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.799 2.419 -4.490 1.00 0.00 H new ATOM 0 HH21 ARG A 5 7.282 0.892 -6.416 1.00 0.00 H new ATOM 0 HH22 ARG A 5 5.546 1.086 -6.152 1.00 0.00 H new ATOM 101 N PHE A 6 12.384 3.143 -8.019 1.00 0.00 N ATOM 102 CA PHE A 6 13.076 2.364 -9.084 1.00 0.00 C ATOM 103 C PHE A 6 14.367 3.071 -9.510 1.00 0.00 C ATOM 104 O PHE A 6 15.402 2.452 -9.662 1.00 0.00 O ATOM 105 CB PHE A 6 12.075 2.300 -10.231 1.00 0.00 C ATOM 106 CG PHE A 6 12.775 2.083 -11.534 1.00 0.00 C ATOM 107 CD1 PHE A 6 13.593 0.969 -11.705 1.00 0.00 C ATOM 108 CD2 PHE A 6 12.591 2.990 -12.575 1.00 0.00 C ATOM 109 CE1 PHE A 6 14.234 0.760 -12.924 1.00 0.00 C ATOM 110 CE2 PHE A 6 13.231 2.787 -13.793 1.00 0.00 C ATOM 111 CZ PHE A 6 14.055 1.670 -13.973 1.00 0.00 C ATOM 0 H PHE A 6 11.820 3.924 -8.353 1.00 0.00 H new ATOM 0 HA PHE A 6 13.371 1.369 -8.750 1.00 0.00 H new ATOM 0 HB2 PHE A 6 11.365 1.492 -10.055 1.00 0.00 H new ATOM 0 HB3 PHE A 6 11.501 3.226 -10.271 1.00 0.00 H new ATOM 0 HD1 PHE A 6 13.730 0.269 -10.894 1.00 0.00 H new ATOM 0 HD2 PHE A 6 11.952 3.850 -12.437 1.00 0.00 H new ATOM 0 HE1 PHE A 6 14.869 -0.103 -13.060 1.00 0.00 H new ATOM 0 HE2 PHE A 6 13.092 3.491 -14.600 1.00 0.00 H new ATOM 0 HZ PHE A 6 14.552 1.510 -14.919 1.00 0.00 H new ATOM 121 N PHE A 7 14.318 4.361 -9.713 1.00 0.00 N ATOM 122 CA PHE A 7 15.540 5.087 -10.135 1.00 0.00 C ATOM 123 C PHE A 7 16.508 5.228 -8.955 1.00 0.00 C ATOM 124 O PHE A 7 17.708 5.319 -9.130 1.00 0.00 O ATOM 125 CB PHE A 7 15.039 6.448 -10.650 1.00 0.00 C ATOM 126 CG PHE A 7 15.223 7.534 -9.610 1.00 0.00 C ATOM 127 CD1 PHE A 7 16.502 8.042 -9.351 1.00 0.00 C ATOM 128 CD2 PHE A 7 14.116 8.035 -8.914 1.00 0.00 C ATOM 129 CE1 PHE A 7 16.674 9.051 -8.397 1.00 0.00 C ATOM 130 CE2 PHE A 7 14.290 9.043 -7.958 1.00 0.00 C ATOM 131 CZ PHE A 7 15.569 9.552 -7.699 1.00 0.00 C ATOM 0 H PHE A 7 13.484 4.938 -9.604 1.00 0.00 H new ATOM 0 HA PHE A 7 16.098 4.563 -10.911 1.00 0.00 H new ATOM 0 HB2 PHE A 7 15.579 6.716 -11.558 1.00 0.00 H new ATOM 0 HB3 PHE A 7 13.985 6.372 -10.917 1.00 0.00 H new ATOM 0 HD1 PHE A 7 17.356 7.655 -9.888 1.00 0.00 H new ATOM 0 HD2 PHE A 7 13.129 7.644 -9.114 1.00 0.00 H new ATOM 0 HE1 PHE A 7 17.660 9.444 -8.199 1.00 0.00 H new ATOM 0 HE2 PHE A 7 13.437 9.429 -7.420 1.00 0.00 H new ATOM 0 HZ PHE A 7 15.702 10.330 -6.962 1.00 0.00 H new ATOM 141 N LYS A 8 16.000 5.241 -7.753 1.00 0.00 N ATOM 142 CA LYS A 8 16.870 5.366 -6.577 1.00 0.00 C ATOM 143 C LYS A 8 17.927 4.253 -6.596 1.00 0.00 C ATOM 144 O LYS A 8 19.110 4.502 -6.475 1.00 0.00 O ATOM 145 CB LYS A 8 15.881 5.232 -5.420 1.00 0.00 C ATOM 146 CG LYS A 8 16.361 4.198 -4.403 1.00 0.00 C ATOM 147 CD LYS A 8 15.429 4.191 -3.187 1.00 0.00 C ATOM 148 CE LYS A 8 15.551 5.519 -2.434 1.00 0.00 C ATOM 149 NZ LYS A 8 16.568 5.269 -1.376 1.00 0.00 N ATOM 0 H LYS A 8 15.004 5.169 -7.545 1.00 0.00 H new ATOM 0 HA LYS A 8 17.439 6.294 -6.519 1.00 0.00 H new ATOM 0 HB2 LYS A 8 15.757 6.198 -4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.903 4.941 -5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 8 16.384 3.209 -4.860 1.00 0.00 H new ATOM 0 HG3 LYS A 8 17.379 4.428 -4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.399 4.037 -3.508 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.684 3.363 -2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.864 6.323 -3.100 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.596 5.817 -2.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.707 6.135 -0.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.240 4.503 -0.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.468 4.994 -1.818 1.00 0.00 H new ATOM 163 N ALA A 9 17.501 3.029 -6.752 1.00 0.00 N ATOM 164 CA ALA A 9 18.466 1.903 -6.784 1.00 0.00 C ATOM 165 C ALA A 9 19.385 2.031 -7.999 1.00 0.00 C ATOM 166 O ALA A 9 20.501 1.552 -8.000 1.00 0.00 O ATOM 167 CB ALA A 9 17.602 0.647 -6.896 1.00 0.00 C ATOM 0 H ALA A 9 16.522 2.764 -6.859 1.00 0.00 H new ATOM 0 HA ALA A 9 19.106 1.881 -5.902 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.243 -0.234 -6.926 1.00 0.00 H new ATOM 0 HB2 ALA A 9 16.938 0.584 -6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.008 0.694 -7.809 1.00 0.00 H new ATOM 173 N LYS A 10 18.921 2.672 -9.034 1.00 0.00 N ATOM 174 CA LYS A 10 19.743 2.836 -10.245 1.00 0.00 C ATOM 175 C LYS A 10 20.896 3.806 -9.981 1.00 0.00 C ATOM 176 O LYS A 10 22.052 3.436 -10.022 1.00 0.00 O ATOM 177 CB LYS A 10 18.770 3.398 -11.255 1.00 0.00 C ATOM 178 CG LYS A 10 18.943 2.676 -12.585 1.00 0.00 C ATOM 179 CD LYS A 10 19.504 3.653 -13.606 1.00 0.00 C ATOM 180 CE LYS A 10 18.349 4.337 -14.341 1.00 0.00 C ATOM 181 NZ LYS A 10 18.899 4.689 -15.679 1.00 0.00 N ATOM 0 H LYS A 10 17.993 3.092 -9.085 1.00 0.00 H new ATOM 0 HA LYS A 10 20.207 1.910 -10.583 1.00 0.00 H new ATOM 0 HB2 LYS A 10 17.748 3.280 -10.895 1.00 0.00 H new ATOM 0 HB3 LYS A 10 18.941 4.467 -11.385 1.00 0.00 H new ATOM 0 HG2 LYS A 10 19.615 1.826 -12.468 1.00 0.00 H new ATOM 0 HG3 LYS A 10 17.986 2.281 -12.927 1.00 0.00 H new ATOM 0 HD2 LYS A 10 20.126 4.398 -13.110 1.00 0.00 H new ATOM 0 HD3 LYS A 10 20.142 3.127 -14.317 1.00 0.00 H new ATOM 0 HE2 LYS A 10 17.489 3.673 -14.430 1.00 0.00 H new ATOM 0 HE3 LYS A 10 18.012 5.225 -13.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 18.164 5.163 -16.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 19.712 5.327 -15.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 19.205 3.823 -16.167 1.00 0.00 H new ATOM 195 N LYS A 11 20.592 5.043 -9.707 1.00 0.00 N ATOM 196 CA LYS A 11 21.671 6.027 -9.436 1.00 0.00 C ATOM 197 C LYS A 11 22.700 5.427 -8.474 1.00 0.00 C ATOM 198 O LYS A 11 23.870 5.752 -8.515 1.00 0.00 O ATOM 199 CB LYS A 11 20.958 7.216 -8.792 1.00 0.00 C ATOM 200 CG LYS A 11 20.464 8.173 -9.880 1.00 0.00 C ATOM 201 CD LYS A 11 19.798 7.380 -11.007 1.00 0.00 C ATOM 202 CE LYS A 11 19.406 8.334 -12.139 1.00 0.00 C ATOM 203 NZ LYS A 11 19.204 7.461 -13.329 1.00 0.00 N ATOM 0 H LYS A 11 19.643 5.414 -9.659 1.00 0.00 H new ATOM 0 HA LYS A 11 22.212 6.314 -10.337 1.00 0.00 H new ATOM 0 HB2 LYS A 11 20.117 6.867 -8.192 1.00 0.00 H new ATOM 0 HB3 LYS A 11 21.637 7.737 -8.117 1.00 0.00 H new ATOM 0 HG2 LYS A 11 19.756 8.885 -9.456 1.00 0.00 H new ATOM 0 HG3 LYS A 11 21.299 8.751 -10.275 1.00 0.00 H new ATOM 0 HD2 LYS A 11 20.480 6.616 -11.381 1.00 0.00 H new ATOM 0 HD3 LYS A 11 18.915 6.863 -10.630 1.00 0.00 H new ATOM 0 HE2 LYS A 11 18.497 8.884 -11.894 1.00 0.00 H new ATOM 0 HE3 LYS A 11 20.187 9.073 -12.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 19.667 7.889 -14.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 19.618 6.524 -13.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 18.186 7.359 -13.516 1.00 0.00 H new ATOM 217 N LEU A 12 22.268 4.557 -7.602 1.00 0.00 N ATOM 218 CA LEU A 12 23.204 3.938 -6.629 1.00 0.00 C ATOM 219 C LEU A 12 24.149 2.955 -7.326 1.00 0.00 C ATOM 220 O LEU A 12 25.090 2.463 -6.735 1.00 0.00 O ATOM 221 CB LEU A 12 22.305 3.206 -5.638 1.00 0.00 C ATOM 222 CG LEU A 12 21.505 4.232 -4.837 1.00 0.00 C ATOM 223 CD1 LEU A 12 20.535 3.507 -3.908 1.00 0.00 C ATOM 224 CD2 LEU A 12 22.465 5.086 -4.007 1.00 0.00 C ATOM 0 H LEU A 12 21.299 4.248 -7.524 1.00 0.00 H new ATOM 0 HA LEU A 12 23.838 4.680 -6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.630 2.534 -6.168 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.906 2.591 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 12 20.944 4.872 -5.519 1.00 0.00 H new ATOM 0 HD11 LEU A 12 19.964 4.238 -3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 12 19.853 2.896 -4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 12 21.094 2.868 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 12 21.897 5.819 -3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 12 23.024 4.446 -3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 12 23.159 5.602 -4.670 1.00 0.00 H new ATOM 236 N ILE A 13 23.911 2.661 -8.576 1.00 0.00 N ATOM 237 CA ILE A 13 24.807 1.706 -9.294 1.00 0.00 C ATOM 238 C ILE A 13 24.919 2.068 -10.764 1.00 0.00 C ATOM 239 O ILE A 13 24.781 1.237 -11.639 1.00 0.00 O ATOM 240 CB ILE A 13 24.176 0.319 -9.134 1.00 0.00 C ATOM 241 CG1 ILE A 13 22.648 0.402 -9.225 1.00 0.00 C ATOM 242 CG2 ILE A 13 24.572 -0.270 -7.781 1.00 0.00 C ATOM 243 CD1 ILE A 13 22.185 -0.206 -10.551 1.00 0.00 C ATOM 0 H ILE A 13 23.141 3.037 -9.129 1.00 0.00 H new ATOM 0 HA ILE A 13 25.816 1.735 -8.882 1.00 0.00 H new ATOM 0 HB ILE A 13 24.539 -0.321 -9.938 1.00 0.00 H new ATOM 0 HG12 ILE A 13 22.193 -0.130 -8.390 1.00 0.00 H new ATOM 0 HG13 ILE A 13 22.324 1.440 -9.155 1.00 0.00 H new ATOM 0 HG21 ILE A 13 24.123 -1.257 -7.668 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.657 -0.357 -7.726 1.00 0.00 H new ATOM 0 HG23 ILE A 13 24.219 0.383 -6.983 1.00 0.00 H new ATOM 0 HD11 ILE A 13 21.099 -0.148 -10.618 1.00 0.00 H new ATOM 0 HD12 ILE A 13 22.630 0.346 -11.379 1.00 0.00 H new ATOM 0 HD13 ILE A 13 22.497 -1.249 -10.601 1.00 0.00 H new ATOM 255 N GLU A 14 25.152 3.307 -11.034 1.00 0.00 N ATOM 256 CA GLU A 14 25.261 3.762 -12.427 1.00 0.00 C ATOM 257 C GLU A 14 26.507 4.630 -12.621 1.00 0.00 C ATOM 258 O GLU A 14 26.399 5.649 -13.282 1.00 0.00 O ATOM 259 CB GLU A 14 23.993 4.572 -12.608 1.00 0.00 C ATOM 260 CG GLU A 14 22.797 3.635 -12.477 1.00 0.00 C ATOM 261 CD GLU A 14 22.405 3.107 -13.857 1.00 0.00 C ATOM 262 OE1 GLU A 14 22.148 3.920 -14.730 1.00 0.00 O ATOM 263 OE2 GLU A 14 22.368 1.898 -14.020 1.00 0.00 O ATOM 264 OXT GLU A 14 27.550 4.259 -12.106 1.00 0.00 O ATOM 0 H GLU A 14 25.274 4.038 -10.333 1.00 0.00 H new ATOM 0 HA GLU A 14 25.360 2.950 -13.147 1.00 0.00 H new ATOM 0 HB2 GLU A 14 23.939 5.363 -11.860 1.00 0.00 H new ATOM 0 HB3 GLU A 14 23.989 5.057 -13.584 1.00 0.00 H new ATOM 0 HG2 GLU A 14 23.044 2.805 -11.815 1.00 0.00 H new ATOM 0 HG3 GLU A 14 21.957 4.163 -12.026 1.00 0.00 H new ATOM 272 N CYS B 1 3.728 5.531 -3.344 1.00 0.00 N ATOM 273 CA CYS B 1 3.422 6.909 -2.862 1.00 0.00 C ATOM 274 C CYS B 1 2.974 6.873 -1.416 1.00 0.00 C ATOM 275 O CYS B 1 2.881 7.889 -0.770 1.00 0.00 O ATOM 276 CB CYS B 1 2.306 7.419 -3.769 1.00 0.00 C ATOM 277 SG CYS B 1 3.017 8.463 -5.067 1.00 0.00 S ATOM 0 H1 CYS B 1 4.352 5.584 -4.174 1.00 0.00 H new ATOM 0 H2 CYS B 1 4.202 4.996 -2.588 1.00 0.00 H new ATOM 0 H3 CYS B 1 2.844 5.050 -3.606 1.00 0.00 H new ATOM 0 HA CYS B 1 4.295 7.560 -2.902 1.00 0.00 H new ATOM 0 HB2 CYS B 1 1.772 6.580 -4.214 1.00 0.00 H new ATOM 0 HB3 CYS B 1 1.580 7.987 -3.187 1.00 0.00 H new ATOM 284 N TYR B 2 2.751 5.717 -0.884 1.00 0.00 N ATOM 285 CA TYR B 2 2.382 5.649 0.542 1.00 0.00 C ATOM 286 C TYR B 2 3.693 5.499 1.312 1.00 0.00 C ATOM 287 O TYR B 2 3.802 5.847 2.468 1.00 0.00 O ATOM 288 CB TYR B 2 1.473 4.417 0.676 1.00 0.00 C ATOM 289 CG TYR B 2 2.319 3.208 0.952 1.00 0.00 C ATOM 290 CD1 TYR B 2 2.833 3.010 2.232 1.00 0.00 C ATOM 291 CD2 TYR B 2 2.615 2.310 -0.074 1.00 0.00 C ATOM 292 CE1 TYR B 2 3.644 1.913 2.495 1.00 0.00 C ATOM 293 CE2 TYR B 2 3.425 1.204 0.187 1.00 0.00 C ATOM 294 CZ TYR B 2 3.944 1.003 1.473 1.00 0.00 C ATOM 295 OH TYR B 2 4.748 -0.088 1.733 1.00 0.00 O ATOM 0 H TYR B 2 2.808 4.822 -1.370 1.00 0.00 H new ATOM 0 HA TYR B 2 1.854 6.522 0.926 1.00 0.00 H new ATOM 0 HB2 TYR B 2 0.755 4.566 1.483 1.00 0.00 H new ATOM 0 HB3 TYR B 2 0.898 4.273 -0.239 1.00 0.00 H new ATOM 0 HD1 TYR B 2 2.601 3.710 3.021 1.00 0.00 H new ATOM 0 HD2 TYR B 2 2.219 2.470 -1.066 1.00 0.00 H new ATOM 0 HE1 TYR B 2 4.043 1.762 3.487 1.00 0.00 H new ATOM 0 HE2 TYR B 2 3.652 0.503 -0.602 1.00 0.00 H new ATOM 0 HH TYR B 2 4.855 -0.618 0.916 1.00 0.00 H new ATOM 305 N LEU B 3 4.702 4.998 0.640 1.00 0.00 N ATOM 306 CA LEU B 3 6.028 4.840 1.283 1.00 0.00 C ATOM 307 C LEU B 3 6.341 6.105 2.064 1.00 0.00 C ATOM 308 O LEU B 3 6.620 6.063 3.239 1.00 0.00 O ATOM 309 CB LEU B 3 6.994 4.656 0.128 1.00 0.00 C ATOM 310 CG LEU B 3 7.206 3.177 -0.128 1.00 0.00 C ATOM 311 CD1 LEU B 3 5.906 2.545 -0.628 1.00 0.00 C ATOM 312 CD2 LEU B 3 8.299 2.998 -1.182 1.00 0.00 C ATOM 0 H LEU B 3 4.655 4.692 -0.332 1.00 0.00 H new ATOM 0 HA LEU B 3 6.081 4.003 1.980 1.00 0.00 H new ATOM 0 HB2 LEU B 3 6.602 5.138 -0.768 1.00 0.00 H new ATOM 0 HB3 LEU B 3 7.946 5.136 0.357 1.00 0.00 H new ATOM 0 HG LEU B 3 7.507 2.690 0.799 1.00 0.00 H new ATOM 0 HD11 LEU B 3 6.065 1.482 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU B 3 5.127 2.672 0.124 1.00 0.00 H new ATOM 0 HD13 LEU B 3 5.598 3.030 -1.554 1.00 0.00 H new ATOM 0 HD21 LEU B 3 8.454 1.935 -1.369 1.00 0.00 H new ATOM 0 HD22 LEU B 3 7.996 3.488 -2.107 1.00 0.00 H new ATOM 0 HD23 LEU B 3 9.227 3.443 -0.823 1.00 0.00 H new ATOM 324 N ARG B 4 6.262 7.241 1.421 1.00 0.00 N ATOM 325 CA ARG B 4 6.520 8.521 2.142 1.00 0.00 C ATOM 326 C ARG B 4 5.876 8.455 3.524 1.00 0.00 C ATOM 327 O ARG B 4 6.314 9.097 4.458 1.00 0.00 O ATOM 328 CB ARG B 4 5.874 9.636 1.300 1.00 0.00 C ATOM 329 CG ARG B 4 4.537 9.175 0.684 1.00 0.00 C ATOM 330 CD ARG B 4 3.417 9.204 1.732 1.00 0.00 C ATOM 331 NE ARG B 4 2.161 9.366 0.956 1.00 0.00 N ATOM 332 CZ ARG B 4 1.872 10.514 0.403 1.00 0.00 C ATOM 333 NH1 ARG B 4 2.207 11.628 0.995 1.00 0.00 N ATOM 334 NH2 ARG B 4 1.246 10.547 -0.741 1.00 0.00 N ATOM 0 H ARG B 4 6.031 7.337 0.432 1.00 0.00 H new ATOM 0 HA ARG B 4 7.586 8.707 2.273 1.00 0.00 H new ATOM 0 HB2 ARG B 4 5.705 10.514 1.924 1.00 0.00 H new ATOM 0 HB3 ARG B 4 6.558 9.936 0.506 1.00 0.00 H new ATOM 0 HG2 ARG B 4 4.275 9.822 -0.153 1.00 0.00 H new ATOM 0 HG3 ARG B 4 4.643 8.166 0.286 1.00 0.00 H new ATOM 0 HD2 ARG B 4 3.402 8.285 2.318 1.00 0.00 H new ATOM 0 HD3 ARG B 4 3.555 10.027 2.433 1.00 0.00 H new ATOM 0 HE ARG B 4 1.521 8.578 0.854 1.00 0.00 H new ATOM 0 HH11 ARG B 4 2.695 11.603 1.890 1.00 0.00 H new ATOM 0 HH12 ARG B 4 1.981 12.524 0.562 1.00 0.00 H new ATOM 0 HH21 ARG B 4 0.982 9.677 -1.203 1.00 0.00 H new ATOM 0 HH22 ARG B 4 1.020 11.443 -1.173 1.00 0.00 H new ATOM 348 N ARG B 5 4.848 7.666 3.661 1.00 0.00 N ATOM 349 CA ARG B 5 4.188 7.544 4.992 1.00 0.00 C ATOM 350 C ARG B 5 4.894 6.455 5.811 1.00 0.00 C ATOM 351 O ARG B 5 5.063 6.574 7.009 1.00 0.00 O ATOM 352 CB ARG B 5 2.717 7.199 4.698 1.00 0.00 C ATOM 353 CG ARG B 5 2.477 5.688 4.784 1.00 0.00 C ATOM 354 CD ARG B 5 1.224 5.327 3.986 1.00 0.00 C ATOM 355 NE ARG B 5 0.135 6.156 4.573 1.00 0.00 N ATOM 356 CZ ARG B 5 -0.884 6.505 3.838 1.00 0.00 C ATOM 357 NH1 ARG B 5 -0.690 6.992 2.643 1.00 0.00 N ATOM 358 NH2 ARG B 5 -2.098 6.367 4.295 1.00 0.00 N ATOM 0 H ARG B 5 4.438 7.104 2.916 1.00 0.00 H new ATOM 0 HA ARG B 5 4.245 8.458 5.583 1.00 0.00 H new ATOM 0 HB2 ARG B 5 2.070 7.714 5.408 1.00 0.00 H new ATOM 0 HB3 ARG B 5 2.448 7.557 3.704 1.00 0.00 H new ATOM 0 HG2 ARG B 5 3.339 5.149 4.392 1.00 0.00 H new ATOM 0 HG3 ARG B 5 2.358 5.386 5.825 1.00 0.00 H new ATOM 0 HD2 ARG B 5 1.356 5.544 2.926 1.00 0.00 H new ATOM 0 HD3 ARG B 5 0.998 4.264 4.068 1.00 0.00 H new ATOM 0 HE ARG B 5 0.186 6.450 5.548 1.00 0.00 H new ATOM 0 HH11 ARG B 5 0.259 7.100 2.284 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -1.487 7.265 2.068 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -2.251 5.986 5.229 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -2.894 6.640 3.719 1.00 0.00 H new ATOM 372 N PHE B 6 5.329 5.410 5.163 1.00 0.00 N ATOM 373 CA PHE B 6 6.052 4.326 5.882 1.00 0.00 C ATOM 374 C PHE B 6 7.544 4.674 5.913 1.00 0.00 C ATOM 375 O PHE B 6 8.190 4.626 6.940 1.00 0.00 O ATOM 376 CB PHE B 6 5.776 3.063 5.063 1.00 0.00 C ATOM 377 CG PHE B 6 6.977 2.166 5.028 1.00 0.00 C ATOM 378 CD1 PHE B 6 7.494 1.655 6.216 1.00 0.00 C ATOM 379 CD2 PHE B 6 7.560 1.841 3.806 1.00 0.00 C ATOM 380 CE1 PHE B 6 8.603 0.814 6.182 1.00 0.00 C ATOM 381 CE2 PHE B 6 8.668 1.001 3.769 1.00 0.00 C ATOM 382 CZ PHE B 6 9.195 0.483 4.958 1.00 0.00 C ATOM 0 H PHE B 6 5.214 5.260 4.161 1.00 0.00 H new ATOM 0 HA PHE B 6 5.734 4.191 6.916 1.00 0.00 H new ATOM 0 HB2 PHE B 6 4.930 2.526 5.492 1.00 0.00 H new ATOM 0 HB3 PHE B 6 5.496 3.340 4.047 1.00 0.00 H new ATOM 0 HD1 PHE B 6 7.036 1.910 7.160 1.00 0.00 H new ATOM 0 HD2 PHE B 6 7.153 2.240 2.889 1.00 0.00 H new ATOM 0 HE1 PHE B 6 9.007 0.417 7.101 1.00 0.00 H new ATOM 0 HE2 PHE B 6 9.122 0.748 2.822 1.00 0.00 H new ATOM 0 HZ PHE B 6 10.055 -0.170 4.931 1.00 0.00 H new ATOM 392 N PHE B 7 8.080 5.040 4.783 1.00 0.00 N ATOM 393 CA PHE B 7 9.512 5.414 4.711 1.00 0.00 C ATOM 394 C PHE B 7 9.886 6.299 5.898 1.00 0.00 C ATOM 395 O PHE B 7 11.000 6.255 6.380 1.00 0.00 O ATOM 396 CB PHE B 7 9.650 6.183 3.411 1.00 0.00 C ATOM 397 CG PHE B 7 10.887 5.719 2.686 1.00 0.00 C ATOM 398 CD1 PHE B 7 12.149 6.127 3.130 1.00 0.00 C ATOM 399 CD2 PHE B 7 10.774 4.878 1.573 1.00 0.00 C ATOM 400 CE1 PHE B 7 13.299 5.698 2.460 1.00 0.00 C ATOM 401 CE2 PHE B 7 11.924 4.446 0.903 1.00 0.00 C ATOM 402 CZ PHE B 7 13.188 4.856 1.346 1.00 0.00 C ATOM 0 H PHE B 7 7.577 5.095 3.897 1.00 0.00 H new ATOM 0 HA PHE B 7 10.169 4.545 4.744 1.00 0.00 H new ATOM 0 HB2 PHE B 7 8.769 6.027 2.788 1.00 0.00 H new ATOM 0 HB3 PHE B 7 9.712 7.252 3.613 1.00 0.00 H new ATOM 0 HD1 PHE B 7 12.235 6.774 3.991 1.00 0.00 H new ATOM 0 HD2 PHE B 7 9.799 4.562 1.231 1.00 0.00 H new ATOM 0 HE1 PHE B 7 14.273 6.016 2.802 1.00 0.00 H new ATOM 0 HE2 PHE B 7 11.837 3.797 0.044 1.00 0.00 H new ATOM 0 HZ PHE B 7 14.076 4.523 0.829 1.00 0.00 H new ATOM 412 N LYS B 8 8.965 7.098 6.377 1.00 0.00 N ATOM 413 CA LYS B 8 9.263 7.968 7.528 1.00 0.00 C ATOM 414 C LYS B 8 10.106 7.197 8.552 1.00 0.00 C ATOM 415 O LYS B 8 10.983 7.744 9.192 1.00 0.00 O ATOM 416 CB LYS B 8 7.867 8.328 8.036 1.00 0.00 C ATOM 417 CG LYS B 8 7.659 7.849 9.474 1.00 0.00 C ATOM 418 CD LYS B 8 6.437 8.542 10.083 1.00 0.00 C ATOM 419 CE LYS B 8 6.609 10.061 9.994 1.00 0.00 C ATOM 420 NZ LYS B 8 6.304 10.559 11.364 1.00 0.00 N ATOM 0 H LYS B 8 8.017 7.177 6.009 1.00 0.00 H new ATOM 0 HA LYS B 8 9.850 8.858 7.301 1.00 0.00 H new ATOM 0 HB2 LYS B 8 7.727 9.408 7.986 1.00 0.00 H new ATOM 0 HB3 LYS B 8 7.115 7.878 7.388 1.00 0.00 H new ATOM 0 HG2 LYS B 8 7.520 6.768 9.490 1.00 0.00 H new ATOM 0 HG3 LYS B 8 8.545 8.065 10.070 1.00 0.00 H new ATOM 0 HD2 LYS B 8 5.533 8.237 9.556 1.00 0.00 H new ATOM 0 HD3 LYS B 8 6.316 8.240 11.123 1.00 0.00 H new ATOM 0 HE2 LYS B 8 7.622 10.327 9.693 1.00 0.00 H new ATOM 0 HE3 LYS B 8 5.933 10.493 9.256 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 6.400 11.594 11.386 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 5.331 10.296 11.621 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 6.968 10.135 12.043 1.00 0.00 H new ATOM 434 N ALA B 9 9.859 5.924 8.688 1.00 0.00 N ATOM 435 CA ALA B 9 10.650 5.109 9.636 1.00 0.00 C ATOM 436 C ALA B 9 11.914 4.620 8.932 1.00 0.00 C ATOM 437 O ALA B 9 12.964 4.494 9.527 1.00 0.00 O ATOM 438 CB ALA B 9 9.745 3.935 10.013 1.00 0.00 C ATOM 0 H ALA B 9 9.137 5.415 8.177 1.00 0.00 H new ATOM 0 HA ALA B 9 10.959 5.665 10.521 1.00 0.00 H new ATOM 0 HB1 ALA B 9 10.266 3.285 10.716 1.00 0.00 H new ATOM 0 HB2 ALA B 9 8.833 4.313 10.475 1.00 0.00 H new ATOM 0 HB3 ALA B 9 9.490 3.370 9.117 1.00 0.00 H new ATOM 444 N LYS B 10 11.818 4.358 7.657 1.00 0.00 N ATOM 445 CA LYS B 10 13.003 3.898 6.898 1.00 0.00 C ATOM 446 C LYS B 10 14.155 4.882 7.095 1.00 0.00 C ATOM 447 O LYS B 10 15.268 4.499 7.389 1.00 0.00 O ATOM 448 CB LYS B 10 12.549 3.875 5.450 1.00 0.00 C ATOM 449 CG LYS B 10 13.430 2.921 4.643 1.00 0.00 C ATOM 450 CD LYS B 10 12.665 1.624 4.385 1.00 0.00 C ATOM 451 CE LYS B 10 12.254 1.556 2.912 1.00 0.00 C ATOM 452 NZ LYS B 10 13.092 0.472 2.328 1.00 0.00 N ATOM 0 H LYS B 10 10.962 4.445 7.110 1.00 0.00 H new ATOM 0 HA LYS B 10 13.362 2.921 7.223 1.00 0.00 H new ATOM 0 HB2 LYS B 10 11.507 3.559 5.391 1.00 0.00 H new ATOM 0 HB3 LYS B 10 12.602 4.878 5.027 1.00 0.00 H new ATOM 0 HG2 LYS B 10 13.715 3.383 3.698 1.00 0.00 H new ATOM 0 HG3 LYS B 10 14.352 2.711 5.186 1.00 0.00 H new ATOM 0 HD2 LYS B 10 13.287 0.766 4.640 1.00 0.00 H new ATOM 0 HD3 LYS B 10 11.782 1.578 5.022 1.00 0.00 H new ATOM 0 HE2 LYS B 10 11.192 1.333 2.808 1.00 0.00 H new ATOM 0 HE3 LYS B 10 12.431 2.506 2.409 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 12.867 0.365 1.318 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 14.098 0.715 2.435 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 12.897 -0.422 2.822 1.00 0.00 H new ATOM 466 N LYS B 11 13.898 6.152 6.946 1.00 0.00 N ATOM 467 CA LYS B 11 14.985 7.146 7.139 1.00 0.00 C ATOM 468 C LYS B 11 15.738 6.832 8.434 1.00 0.00 C ATOM 469 O LYS B 11 16.924 7.068 8.547 1.00 0.00 O ATOM 470 CB LYS B 11 14.277 8.498 7.235 1.00 0.00 C ATOM 471 CG LYS B 11 13.553 8.789 5.917 1.00 0.00 C ATOM 472 CD LYS B 11 14.487 9.561 4.981 1.00 0.00 C ATOM 473 CE LYS B 11 13.885 10.933 4.672 1.00 0.00 C ATOM 474 NZ LYS B 11 13.886 11.031 3.185 1.00 0.00 N ATOM 0 H LYS B 11 12.987 6.541 6.700 1.00 0.00 H new ATOM 0 HA LYS B 11 15.715 7.136 6.330 1.00 0.00 H new ATOM 0 HB2 LYS B 11 13.564 8.490 8.060 1.00 0.00 H new ATOM 0 HB3 LYS B 11 15.000 9.285 7.447 1.00 0.00 H new ATOM 0 HG2 LYS B 11 13.240 7.856 5.448 1.00 0.00 H new ATOM 0 HG3 LYS B 11 12.650 9.369 6.106 1.00 0.00 H new ATOM 0 HD2 LYS B 11 15.467 9.679 5.444 1.00 0.00 H new ATOM 0 HD3 LYS B 11 14.636 9.002 4.057 1.00 0.00 H new ATOM 0 HE2 LYS B 11 12.875 11.019 5.072 1.00 0.00 H new ATOM 0 HE3 LYS B 11 14.475 11.732 5.120 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 13.487 11.947 2.897 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 14.861 10.953 2.833 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 13.311 10.262 2.786 1.00 0.00 H new ATOM 488 N LEU B 12 15.054 6.297 9.411 1.00 0.00 N ATOM 489 CA LEU B 12 15.724 5.965 10.693 1.00 0.00 C ATOM 490 C LEU B 12 16.632 4.739 10.521 1.00 0.00 C ATOM 491 O LEU B 12 17.446 4.439 11.371 1.00 0.00 O ATOM 492 CB LEU B 12 14.594 5.665 11.680 1.00 0.00 C ATOM 493 CG LEU B 12 13.739 6.918 11.880 1.00 0.00 C ATOM 494 CD1 LEU B 12 12.826 6.725 13.093 1.00 0.00 C ATOM 495 CD2 LEU B 12 14.650 8.127 12.116 1.00 0.00 C ATOM 0 H LEU B 12 14.059 6.077 9.372 1.00 0.00 H new ATOM 0 HA LEU B 12 16.357 6.780 11.043 1.00 0.00 H new ATOM 0 HB2 LEU B 12 13.977 4.848 11.305 1.00 0.00 H new ATOM 0 HB3 LEU B 12 15.008 5.339 12.634 1.00 0.00 H new ATOM 0 HG LEU B 12 13.132 7.088 10.991 1.00 0.00 H new ATOM 0 HD11 LEU B 12 12.217 7.618 13.236 1.00 0.00 H new ATOM 0 HD12 LEU B 12 12.177 5.865 12.927 1.00 0.00 H new ATOM 0 HD13 LEU B 12 13.433 6.554 13.982 1.00 0.00 H new ATOM 0 HD21 LEU B 12 14.041 9.019 12.258 1.00 0.00 H new ATOM 0 HD22 LEU B 12 15.258 7.957 13.005 1.00 0.00 H new ATOM 0 HD23 LEU B 12 15.301 8.266 11.253 1.00 0.00 H new ATOM 507 N ILE B 13 16.508 4.035 9.425 1.00 0.00 N ATOM 508 CA ILE B 13 17.382 2.837 9.210 1.00 0.00 C ATOM 509 C ILE B 13 17.974 2.857 7.811 1.00 0.00 C ATOM 510 O ILE B 13 17.979 1.871 7.102 1.00 0.00 O ATOM 511 CB ILE B 13 16.506 1.589 9.402 1.00 0.00 C ATOM 512 CG1 ILE B 13 15.043 1.891 9.093 1.00 0.00 C ATOM 513 CG2 ILE B 13 16.625 1.091 10.840 1.00 0.00 C ATOM 514 CD1 ILE B 13 14.406 0.675 8.420 1.00 0.00 C ATOM 0 H ILE B 13 15.846 4.233 8.674 1.00 0.00 H new ATOM 0 HA ILE B 13 18.211 2.836 9.918 1.00 0.00 H new ATOM 0 HB ILE B 13 16.855 0.821 8.712 1.00 0.00 H new ATOM 0 HG12 ILE B 13 14.508 2.134 10.011 1.00 0.00 H new ATOM 0 HG13 ILE B 13 14.969 2.762 8.441 1.00 0.00 H new ATOM 0 HG21 ILE B 13 16.002 0.206 10.971 1.00 0.00 H new ATOM 0 HG22 ILE B 13 17.664 0.838 11.053 1.00 0.00 H new ATOM 0 HG23 ILE B 13 16.294 1.872 11.524 1.00 0.00 H new ATOM 0 HD11 ILE B 13 13.360 0.888 8.198 1.00 0.00 H new ATOM 0 HD12 ILE B 13 14.936 0.453 7.494 1.00 0.00 H new ATOM 0 HD13 ILE B 13 14.467 -0.184 9.088 1.00 0.00 H new ATOM 526 N GLU B 14 18.464 3.982 7.415 1.00 0.00 N ATOM 527 CA GLU B 14 19.054 4.118 6.076 1.00 0.00 C ATOM 528 C GLU B 14 20.492 4.639 6.166 1.00 0.00 C ATOM 529 O GLU B 14 20.835 5.200 7.194 1.00 0.00 O ATOM 530 CB GLU B 14 18.143 5.129 5.416 1.00 0.00 C ATOM 531 CG GLU B 14 16.752 4.520 5.306 1.00 0.00 C ATOM 532 CD GLU B 14 16.541 3.971 3.895 1.00 0.00 C ATOM 533 OE1 GLU B 14 16.358 4.770 2.991 1.00 0.00 O ATOM 534 OE2 GLU B 14 16.565 2.761 3.740 1.00 0.00 O ATOM 535 OXT GLU B 14 21.223 4.470 5.205 1.00 0.00 O ATOM 0 H GLU B 14 18.480 4.833 7.978 1.00 0.00 H new ATOM 0 HA GLU B 14 19.121 3.178 5.528 1.00 0.00 H new ATOM 0 HB2 GLU B 14 18.110 6.048 6.001 1.00 0.00 H new ATOM 0 HB3 GLU B 14 18.521 5.393 4.428 1.00 0.00 H new ATOM 0 HG2 GLU B 14 16.635 3.722 6.039 1.00 0.00 H new ATOM 0 HG3 GLU B 14 15.996 5.272 5.531 1.00 0.00 H new ATOM 543 N CYS C 1 22.685 -6.520 7.587 1.00 0.00 N ATOM 544 CA CYS C 1 22.446 -5.548 8.693 1.00 0.00 C ATOM 545 C CYS C 1 21.157 -4.790 8.460 1.00 0.00 C ATOM 546 O CYS C 1 21.139 -3.587 8.290 1.00 0.00 O ATOM 547 CB CYS C 1 23.655 -4.609 8.682 1.00 0.00 C ATOM 548 SG CYS C 1 23.630 -3.599 7.180 1.00 0.00 S ATOM 0 H1 CYS C 1 23.328 -7.269 7.916 1.00 0.00 H new ATOM 0 H2 CYS C 1 21.781 -6.943 7.295 1.00 0.00 H new ATOM 0 H3 CYS C 1 23.113 -6.027 6.778 1.00 0.00 H new ATOM 0 HA CYS C 1 22.341 -6.043 9.658 1.00 0.00 H new ATOM 0 HB2 CYS C 1 23.638 -3.968 9.563 1.00 0.00 H new ATOM 0 HB3 CYS C 1 24.578 -5.188 8.727 1.00 0.00 H new ATOM 0 HG CYS C 1 22.452 -3.069 7.033 1.00 0.00 H new ATOM 555 N TYR C 2 20.071 -5.492 8.487 1.00 0.00 N ATOM 556 CA TYR C 2 18.771 -4.847 8.314 1.00 0.00 C ATOM 557 C TYR C 2 17.703 -5.798 8.789 1.00 0.00 C ATOM 558 O TYR C 2 17.957 -6.645 9.614 1.00 0.00 O ATOM 559 CB TYR C 2 18.629 -4.553 6.828 1.00 0.00 C ATOM 560 CG TYR C 2 17.980 -3.214 6.717 1.00 0.00 C ATOM 561 CD1 TYR C 2 18.480 -2.160 7.476 1.00 0.00 C ATOM 562 CD2 TYR C 2 16.867 -3.028 5.897 1.00 0.00 C ATOM 563 CE1 TYR C 2 17.879 -0.913 7.423 1.00 0.00 C ATOM 564 CE2 TYR C 2 16.258 -1.773 5.835 1.00 0.00 C ATOM 565 CZ TYR C 2 16.763 -0.710 6.600 1.00 0.00 C ATOM 566 OH TYR C 2 16.161 0.530 6.545 1.00 0.00 O ATOM 0 H TYR C 2 20.037 -6.502 8.624 1.00 0.00 H new ATOM 0 HA TYR C 2 18.679 -3.923 8.885 1.00 0.00 H new ATOM 0 HB2 TYR C 2 19.603 -4.553 6.339 1.00 0.00 H new ATOM 0 HB3 TYR C 2 18.026 -5.317 6.338 1.00 0.00 H new ATOM 0 HD1 TYR C 2 19.341 -2.315 8.109 1.00 0.00 H new ATOM 0 HD2 TYR C 2 16.479 -3.850 5.314 1.00 0.00 H new ATOM 0 HE1 TYR C 2 18.270 -0.099 8.015 1.00 0.00 H new ATOM 0 HE2 TYR C 2 15.399 -1.620 5.199 1.00 0.00 H new ATOM 0 HH TYR C 2 16.841 1.217 6.380 1.00 0.00 H new ATOM 576 N LEU C 3 16.523 -5.677 8.282 1.00 0.00 N ATOM 577 CA LEU C 3 15.441 -6.581 8.730 1.00 0.00 C ATOM 578 C LEU C 3 15.182 -6.317 10.215 1.00 0.00 C ATOM 579 O LEU C 3 14.173 -5.755 10.586 1.00 0.00 O ATOM 580 CB LEU C 3 15.970 -7.987 8.499 1.00 0.00 C ATOM 581 CG LEU C 3 16.588 -8.089 7.110 1.00 0.00 C ATOM 582 CD1 LEU C 3 18.109 -8.004 7.210 1.00 0.00 C ATOM 583 CD2 LEU C 3 16.206 -9.421 6.472 1.00 0.00 C ATOM 0 H LEU C 3 16.256 -4.991 7.575 1.00 0.00 H new ATOM 0 HA LEU C 3 14.501 -6.435 8.198 1.00 0.00 H new ATOM 0 HB2 LEU C 3 16.714 -8.233 9.256 1.00 0.00 H new ATOM 0 HB3 LEU C 3 15.161 -8.710 8.600 1.00 0.00 H new ATOM 0 HG LEU C 3 16.215 -7.267 6.498 1.00 0.00 H new ATOM 0 HD11 LEU C 3 18.544 -8.078 6.213 1.00 0.00 H new ATOM 0 HD12 LEU C 3 18.391 -7.052 7.660 1.00 0.00 H new ATOM 0 HD13 LEU C 3 18.479 -8.822 7.829 1.00 0.00 H new ATOM 0 HD21 LEU C 3 16.650 -9.489 5.479 1.00 0.00 H new ATOM 0 HD22 LEU C 3 16.573 -10.240 7.091 1.00 0.00 H new ATOM 0 HD23 LEU C 3 15.121 -9.487 6.390 1.00 0.00 H new ATOM 595 N ARG C 4 16.104 -6.681 11.067 1.00 0.00 N ATOM 596 CA ARG C 4 15.915 -6.407 12.517 1.00 0.00 C ATOM 597 C ARG C 4 15.655 -4.915 12.721 1.00 0.00 C ATOM 598 O ARG C 4 14.693 -4.528 13.356 1.00 0.00 O ATOM 599 CB ARG C 4 17.221 -6.828 13.202 1.00 0.00 C ATOM 600 CG ARG C 4 18.429 -6.242 12.467 1.00 0.00 C ATOM 601 CD ARG C 4 18.956 -5.024 13.228 1.00 0.00 C ATOM 602 NE ARG C 4 20.421 -5.254 13.353 1.00 0.00 N ATOM 603 CZ ARG C 4 20.884 -6.021 14.303 1.00 0.00 C ATOM 604 NH1 ARG C 4 20.505 -5.836 15.537 1.00 0.00 N ATOM 605 NH2 ARG C 4 21.727 -6.976 14.018 1.00 0.00 N ATOM 0 H ARG C 4 16.974 -7.153 10.821 1.00 0.00 H new ATOM 0 HA ARG C 4 15.066 -6.951 12.931 1.00 0.00 H new ATOM 0 HB2 ARG C 4 17.220 -6.490 14.238 1.00 0.00 H new ATOM 0 HB3 ARG C 4 17.293 -7.915 13.222 1.00 0.00 H new ATOM 0 HG2 ARG C 4 19.213 -6.994 12.378 1.00 0.00 H new ATOM 0 HG3 ARG C 4 18.146 -5.955 11.454 1.00 0.00 H new ATOM 0 HD2 ARG C 4 18.746 -4.100 12.689 1.00 0.00 H new ATOM 0 HD3 ARG C 4 18.485 -4.936 14.207 1.00 0.00 H new ATOM 0 HE ARG C 4 21.064 -4.812 12.696 1.00 0.00 H new ATOM 0 HH11 ARG C 4 19.846 -5.091 15.762 1.00 0.00 H new ATOM 0 HH12 ARG C 4 20.868 -6.436 16.277 1.00 0.00 H new ATOM 0 HH21 ARG C 4 22.024 -7.123 13.053 1.00 0.00 H new ATOM 0 HH22 ARG C 4 22.089 -7.575 14.760 1.00 0.00 H new ATOM 619 N ARG C 5 16.488 -4.067 12.174 1.00 0.00 N ATOM 620 CA ARG C 5 16.249 -2.604 12.334 1.00 0.00 C ATOM 621 C ARG C 5 15.284 -2.125 11.257 1.00 0.00 C ATOM 622 O ARG C 5 14.925 -0.966 11.196 1.00 0.00 O ATOM 623 CB ARG C 5 17.611 -1.944 12.144 1.00 0.00 C ATOM 624 CG ARG C 5 18.113 -2.211 10.725 1.00 0.00 C ATOM 625 CD ARG C 5 19.626 -2.434 10.759 1.00 0.00 C ATOM 626 NE ARG C 5 20.200 -1.104 11.107 1.00 0.00 N ATOM 627 CZ ARG C 5 21.307 -1.031 11.796 1.00 0.00 C ATOM 628 NH1 ARG C 5 22.458 -1.048 11.183 1.00 0.00 N ATOM 629 NH2 ARG C 5 21.260 -0.935 13.096 1.00 0.00 N ATOM 0 H ARG C 5 17.313 -4.321 11.630 1.00 0.00 H new ATOM 0 HA ARG C 5 15.815 -2.362 13.304 1.00 0.00 H new ATOM 0 HB2 ARG C 5 17.534 -0.871 12.318 1.00 0.00 H new ATOM 0 HB3 ARG C 5 18.321 -2.335 12.872 1.00 0.00 H new ATOM 0 HG2 ARG C 5 17.614 -3.086 10.309 1.00 0.00 H new ATOM 0 HG3 ARG C 5 17.872 -1.368 10.077 1.00 0.00 H new ATOM 0 HD2 ARG C 5 19.898 -3.188 11.498 1.00 0.00 H new ATOM 0 HD3 ARG C 5 19.996 -2.784 9.795 1.00 0.00 H new ATOM 0 HE ARG C 5 19.729 -0.251 10.807 1.00 0.00 H new ATOM 0 HH11 ARG C 5 22.493 -1.118 10.166 1.00 0.00 H new ATOM 0 HH12 ARG C 5 23.323 -0.991 11.721 1.00 0.00 H new ATOM 0 HH21 ARG C 5 20.359 -0.917 13.574 1.00 0.00 H new ATOM 0 HH22 ARG C 5 22.124 -0.878 13.635 1.00 0.00 H new ATOM 643 N PHE C 6 14.869 -3.010 10.397 1.00 0.00 N ATOM 644 CA PHE C 6 13.942 -2.606 9.316 1.00 0.00 C ATOM 645 C PHE C 6 12.515 -3.077 9.621 1.00 0.00 C ATOM 646 O PHE C 6 11.573 -2.315 9.527 1.00 0.00 O ATOM 647 CB PHE C 6 14.496 -3.269 8.075 1.00 0.00 C ATOM 648 CG PHE C 6 13.495 -3.193 6.978 1.00 0.00 C ATOM 649 CD1 PHE C 6 13.330 -2.000 6.285 1.00 0.00 C ATOM 650 CD2 PHE C 6 12.743 -4.314 6.652 1.00 0.00 C ATOM 651 CE1 PHE C 6 12.400 -1.923 5.252 1.00 0.00 C ATOM 652 CE2 PHE C 6 11.810 -4.246 5.621 1.00 0.00 C ATOM 653 CZ PHE C 6 11.635 -3.047 4.915 1.00 0.00 C ATOM 0 H PHE C 6 15.134 -3.995 10.399 1.00 0.00 H new ATOM 0 HA PHE C 6 13.876 -1.524 9.201 1.00 0.00 H new ATOM 0 HB2 PHE C 6 15.421 -2.779 7.771 1.00 0.00 H new ATOM 0 HB3 PHE C 6 14.741 -4.310 8.286 1.00 0.00 H new ATOM 0 HD1 PHE C 6 13.921 -1.135 6.547 1.00 0.00 H new ATOM 0 HD2 PHE C 6 12.882 -5.236 7.197 1.00 0.00 H new ATOM 0 HE1 PHE C 6 12.268 -0.998 4.711 1.00 0.00 H new ATOM 0 HE2 PHE C 6 11.222 -5.115 5.365 1.00 0.00 H new ATOM 0 HZ PHE C 6 10.913 -2.990 4.114 1.00 0.00 H new ATOM 663 N PHE C 7 12.341 -4.319 9.991 1.00 0.00 N ATOM 664 CA PHE C 7 10.975 -4.809 10.305 1.00 0.00 C ATOM 665 C PHE C 7 10.489 -4.177 11.611 1.00 0.00 C ATOM 666 O PHE C 7 9.315 -3.922 11.789 1.00 0.00 O ATOM 667 CB PHE C 7 11.096 -6.343 10.406 1.00 0.00 C ATOM 668 CG PHE C 7 11.341 -6.792 11.837 1.00 0.00 C ATOM 669 CD1 PHE C 7 10.330 -6.667 12.799 1.00 0.00 C ATOM 670 CD2 PHE C 7 12.579 -7.340 12.194 1.00 0.00 C ATOM 671 CE1 PHE C 7 10.558 -7.088 14.115 1.00 0.00 C ATOM 672 CE2 PHE C 7 12.806 -7.761 13.510 1.00 0.00 C ATOM 673 CZ PHE C 7 11.797 -7.634 14.471 1.00 0.00 C ATOM 0 H PHE C 7 13.085 -5.010 10.088 1.00 0.00 H new ATOM 0 HA PHE C 7 10.243 -4.538 9.544 1.00 0.00 H new ATOM 0 HB2 PHE C 7 10.184 -6.806 10.030 1.00 0.00 H new ATOM 0 HB3 PHE C 7 11.913 -6.687 9.771 1.00 0.00 H new ATOM 0 HD1 PHE C 7 9.374 -6.246 12.525 1.00 0.00 H new ATOM 0 HD2 PHE C 7 13.359 -7.438 11.454 1.00 0.00 H new ATOM 0 HE1 PHE C 7 9.778 -6.991 14.856 1.00 0.00 H new ATOM 0 HE2 PHE C 7 13.761 -8.184 13.784 1.00 0.00 H new ATOM 0 HZ PHE C 7 11.974 -7.957 15.486 1.00 0.00 H new ATOM 683 N LYS C 8 11.384 -3.920 12.527 1.00 0.00 N ATOM 684 CA LYS C 8 10.963 -3.305 13.811 1.00 0.00 C ATOM 685 C LYS C 8 10.055 -2.105 13.543 1.00 0.00 C ATOM 686 O LYS C 8 9.000 -1.969 14.129 1.00 0.00 O ATOM 687 CB LYS C 8 12.254 -2.861 14.478 1.00 0.00 C ATOM 688 CG LYS C 8 12.424 -3.594 15.809 1.00 0.00 C ATOM 689 CD LYS C 8 13.244 -2.727 16.765 1.00 0.00 C ATOM 690 CE LYS C 8 14.654 -3.307 16.899 1.00 0.00 C ATOM 691 NZ LYS C 8 15.554 -2.270 16.319 1.00 0.00 N ATOM 0 H LYS C 8 12.382 -4.109 12.439 1.00 0.00 H new ATOM 0 HA LYS C 8 10.401 -3.997 14.438 1.00 0.00 H new ATOM 0 HB2 LYS C 8 13.102 -3.070 13.826 1.00 0.00 H new ATOM 0 HB3 LYS C 8 12.237 -1.784 14.644 1.00 0.00 H new ATOM 0 HG2 LYS C 8 11.449 -3.812 16.244 1.00 0.00 H new ATOM 0 HG3 LYS C 8 12.922 -4.550 15.649 1.00 0.00 H new ATOM 0 HD2 LYS C 8 13.294 -1.704 16.392 1.00 0.00 H new ATOM 0 HD3 LYS C 8 12.761 -2.687 17.742 1.00 0.00 H new ATOM 0 HE2 LYS C 8 14.902 -3.506 17.942 1.00 0.00 H new ATOM 0 HE3 LYS C 8 14.745 -4.252 16.364 1.00 0.00 H new ATOM 0 HZ1 LYS C 8 16.527 -2.636 16.281 1.00 0.00 H new ATOM 0 HZ2 LYS C 8 15.236 -2.033 15.358 1.00 0.00 H new ATOM 0 HZ3 LYS C 8 15.528 -1.416 16.913 1.00 0.00 H new ATOM 705 N ALA C 9 10.454 -1.237 12.653 1.00 0.00 N ATOM 706 CA ALA C 9 9.616 -0.055 12.341 1.00 0.00 C ATOM 707 C ALA C 9 8.408 -0.491 11.515 1.00 0.00 C ATOM 708 O ALA C 9 7.383 0.163 11.493 1.00 0.00 O ATOM 709 CB ALA C 9 10.522 0.873 11.532 1.00 0.00 C ATOM 0 H ALA C 9 11.327 -1.300 12.130 1.00 0.00 H new ATOM 0 HA ALA C 9 9.235 0.440 13.234 1.00 0.00 H new ATOM 0 HB1 ALA C 9 9.972 1.774 11.262 1.00 0.00 H new ATOM 0 HB2 ALA C 9 11.392 1.144 12.130 1.00 0.00 H new ATOM 0 HB3 ALA C 9 10.849 0.363 10.626 1.00 0.00 H new ATOM 715 N LYS C 10 8.524 -1.600 10.840 1.00 0.00 N ATOM 716 CA LYS C 10 7.398 -2.095 10.019 1.00 0.00 C ATOM 717 C LYS C 10 6.197 -2.403 10.909 1.00 0.00 C ATOM 718 O LYS C 10 5.124 -1.865 10.725 1.00 0.00 O ATOM 719 CB LYS C 10 7.928 -3.360 9.370 1.00 0.00 C ATOM 720 CG LYS C 10 7.212 -3.592 8.040 1.00 0.00 C ATOM 721 CD LYS C 10 7.994 -2.914 6.914 1.00 0.00 C ATOM 722 CE LYS C 10 7.969 -3.801 5.666 1.00 0.00 C ATOM 723 NZ LYS C 10 6.526 -3.938 5.318 1.00 0.00 N ATOM 0 H LYS C 10 9.359 -2.185 10.825 1.00 0.00 H new ATOM 0 HA LYS C 10 7.062 -1.367 9.281 1.00 0.00 H new ATOM 0 HB2 LYS C 10 9.002 -3.274 9.206 1.00 0.00 H new ATOM 0 HB3 LYS C 10 7.773 -4.212 10.031 1.00 0.00 H new ATOM 0 HG2 LYS C 10 7.124 -4.661 7.844 1.00 0.00 H new ATOM 0 HG3 LYS C 10 6.199 -3.192 8.086 1.00 0.00 H new ATOM 0 HD2 LYS C 10 7.558 -1.941 6.690 1.00 0.00 H new ATOM 0 HD3 LYS C 10 9.023 -2.738 7.227 1.00 0.00 H new ATOM 0 HE2 LYS C 10 8.531 -3.348 4.849 1.00 0.00 H new ATOM 0 HE3 LYS C 10 8.421 -4.773 5.864 1.00 0.00 H new ATOM 0 HZ1 LYS C 10 6.244 -4.936 5.395 1.00 0.00 H new ATOM 0 HZ2 LYS C 10 5.955 -3.365 5.972 1.00 0.00 H new ATOM 0 HZ3 LYS C 10 6.371 -3.609 4.344 1.00 0.00 H new ATOM 737 N LYS C 11 6.364 -3.264 11.876 1.00 0.00 N ATOM 738 CA LYS C 11 5.221 -3.595 12.769 1.00 0.00 C ATOM 739 C LYS C 11 4.490 -2.308 13.193 1.00 0.00 C ATOM 740 O LYS C 11 3.296 -2.308 13.419 1.00 0.00 O ATOM 741 CB LYS C 11 5.847 -4.337 13.964 1.00 0.00 C ATOM 742 CG LYS C 11 6.041 -3.388 15.145 1.00 0.00 C ATOM 743 CD LYS C 11 4.761 -3.348 15.981 1.00 0.00 C ATOM 744 CE LYS C 11 4.623 -1.974 16.639 1.00 0.00 C ATOM 745 NZ LYS C 11 5.624 -1.974 17.742 1.00 0.00 N ATOM 0 H LYS C 11 7.237 -3.749 12.084 1.00 0.00 H new ATOM 0 HA LYS C 11 4.468 -4.215 12.283 1.00 0.00 H new ATOM 0 HB2 LYS C 11 5.206 -5.167 14.260 1.00 0.00 H new ATOM 0 HB3 LYS C 11 6.807 -4.763 13.672 1.00 0.00 H new ATOM 0 HG2 LYS C 11 6.879 -3.720 15.758 1.00 0.00 H new ATOM 0 HG3 LYS C 11 6.285 -2.388 14.786 1.00 0.00 H new ATOM 0 HD2 LYS C 11 3.895 -3.549 15.350 1.00 0.00 H new ATOM 0 HD3 LYS C 11 4.787 -4.127 16.743 1.00 0.00 H new ATOM 0 HE2 LYS C 11 4.821 -1.173 15.926 1.00 0.00 H new ATOM 0 HE3 LYS C 11 3.614 -1.819 17.021 1.00 0.00 H new ATOM 0 HZ1 LYS C 11 5.273 -1.393 18.529 1.00 0.00 H new ATOM 0 HZ2 LYS C 11 5.777 -2.948 18.072 1.00 0.00 H new ATOM 0 HZ3 LYS C 11 6.522 -1.581 17.395 1.00 0.00 H new ATOM 759 N LEU C 12 5.202 -1.216 13.301 1.00 0.00 N ATOM 760 CA LEU C 12 4.560 0.060 13.708 1.00 0.00 C ATOM 761 C LEU C 12 3.693 0.614 12.573 1.00 0.00 C ATOM 762 O LEU C 12 2.983 1.586 12.740 1.00 0.00 O ATOM 763 CB LEU C 12 5.723 1.006 14.004 1.00 0.00 C ATOM 764 CG LEU C 12 6.265 0.714 15.402 1.00 0.00 C ATOM 765 CD1 LEU C 12 7.532 1.534 15.639 1.00 0.00 C ATOM 766 CD2 LEU C 12 5.210 1.091 16.443 1.00 0.00 C ATOM 0 H LEU C 12 6.205 -1.158 13.123 1.00 0.00 H new ATOM 0 HA LEU C 12 3.903 -0.067 14.568 1.00 0.00 H new ATOM 0 HB2 LEU C 12 6.510 0.877 13.261 1.00 0.00 H new ATOM 0 HB3 LEU C 12 5.390 2.042 13.939 1.00 0.00 H new ATOM 0 HG LEU C 12 6.499 -0.347 15.488 1.00 0.00 H new ATOM 0 HD11 LEU C 12 7.919 1.326 16.637 1.00 0.00 H new ATOM 0 HD12 LEU C 12 8.283 1.267 14.895 1.00 0.00 H new ATOM 0 HD13 LEU C 12 7.300 2.596 15.554 1.00 0.00 H new ATOM 0 HD21 LEU C 12 5.594 0.884 17.442 1.00 0.00 H new ATOM 0 HD22 LEU C 12 4.977 2.152 16.357 1.00 0.00 H new ATOM 0 HD23 LEU C 12 4.306 0.506 16.273 1.00 0.00 H new ATOM 778 N ILE C 13 3.742 0.002 11.423 1.00 0.00 N ATOM 779 CA ILE C 13 2.916 0.489 10.280 1.00 0.00 C ATOM 780 C ILE C 13 2.385 -0.685 9.483 1.00 0.00 C ATOM 781 O ILE C 13 2.413 -0.704 8.268 1.00 0.00 O ATOM 782 CB ILE C 13 3.830 1.358 9.410 1.00 0.00 C ATOM 783 CG1 ILE C 13 5.239 0.763 9.337 1.00 0.00 C ATOM 784 CG2 ILE C 13 3.908 2.768 9.992 1.00 0.00 C ATOM 785 CD1 ILE C 13 5.373 -0.078 8.066 1.00 0.00 C ATOM 0 H ILE C 13 4.319 -0.815 11.224 1.00 0.00 H new ATOM 0 HA ILE C 13 2.058 1.062 10.632 1.00 0.00 H new ATOM 0 HB ILE C 13 3.412 1.394 8.404 1.00 0.00 H new ATOM 0 HG12 ILE C 13 5.982 1.560 9.338 1.00 0.00 H new ATOM 0 HG13 ILE C 13 5.431 0.147 10.215 1.00 0.00 H new ATOM 0 HG21 ILE C 13 4.559 3.383 9.370 1.00 0.00 H new ATOM 0 HG22 ILE C 13 2.911 3.207 10.018 1.00 0.00 H new ATOM 0 HG23 ILE C 13 4.310 2.722 11.004 1.00 0.00 H new ATOM 0 HD11 ILE C 13 6.376 -0.502 8.014 1.00 0.00 H new ATOM 0 HD12 ILE C 13 4.639 -0.884 8.084 1.00 0.00 H new ATOM 0 HD13 ILE C 13 5.199 0.551 7.193 1.00 0.00 H new ATOM 797 N GLU C 14 1.922 -1.671 10.171 1.00 0.00 N ATOM 798 CA GLU C 14 1.403 -2.873 9.506 1.00 0.00 C ATOM 799 C GLU C 14 0.008 -3.223 10.033 1.00 0.00 C ATOM 800 O GLU C 14 -0.374 -4.375 9.918 1.00 0.00 O ATOM 801 CB GLU C 14 2.420 -3.925 9.896 1.00 0.00 C ATOM 802 CG GLU C 14 3.778 -3.532 9.319 1.00 0.00 C ATOM 803 CD GLU C 14 3.989 -4.225 7.972 1.00 0.00 C ATOM 804 OE1 GLU C 14 3.867 -5.438 7.928 1.00 0.00 O ATOM 805 OE2 GLU C 14 4.269 -3.531 7.009 1.00 0.00 O ATOM 806 OXT GLU C 14 -0.652 -2.332 10.543 1.00 0.00 O ATOM 0 H GLU C 14 1.881 -1.694 11.190 1.00 0.00 H new ATOM 0 HA GLU C 14 1.286 -2.766 8.428 1.00 0.00 H new ATOM 0 HB2 GLU C 14 2.480 -4.008 10.981 1.00 0.00 H new ATOM 0 HB3 GLU C 14 2.117 -4.902 9.518 1.00 0.00 H new ATOM 0 HG2 GLU C 14 3.831 -2.450 9.194 1.00 0.00 H new ATOM 0 HG3 GLU C 14 4.572 -3.812 10.011 1.00 0.00 H new ATOM 826 N TYR D 2 23.881 -3.215 1.040 1.00 0.00 N ATOM 827 CA TYR D 2 23.134 -2.326 0.125 1.00 0.00 C ATOM 828 C TYR D 2 22.455 -3.203 -0.929 1.00 0.00 C ATOM 829 O TYR D 2 21.472 -2.830 -1.534 1.00 0.00 O ATOM 830 CB TYR D 2 24.193 -1.400 -0.494 1.00 0.00 C ATOM 831 CG TYR D 2 24.745 -2.034 -1.744 1.00 0.00 C ATOM 832 CD1 TYR D 2 23.988 -2.009 -2.919 1.00 0.00 C ATOM 833 CD2 TYR D 2 25.988 -2.668 -1.722 1.00 0.00 C ATOM 834 CE1 TYR D 2 24.471 -2.616 -4.074 1.00 0.00 C ATOM 835 CE2 TYR D 2 26.477 -3.281 -2.877 1.00 0.00 C ATOM 836 CZ TYR D 2 25.720 -3.256 -4.058 1.00 0.00 C ATOM 837 OH TYR D 2 26.202 -3.860 -5.202 1.00 0.00 O ATOM 0 HA TYR D 2 22.359 -1.735 0.613 1.00 0.00 H new ATOM 0 HB2 TYR D 2 23.752 -0.431 -0.729 1.00 0.00 H new ATOM 0 HB3 TYR D 2 24.996 -1.220 0.220 1.00 0.00 H new ATOM 0 HD1 TYR D 2 23.026 -1.518 -2.930 1.00 0.00 H new ATOM 0 HD2 TYR D 2 26.571 -2.684 -0.813 1.00 0.00 H new ATOM 0 HE1 TYR D 2 23.886 -2.595 -4.981 1.00 0.00 H new ATOM 0 HE2 TYR D 2 27.438 -3.774 -2.861 1.00 0.00 H new ATOM 0 HH TYR D 2 27.080 -4.255 -5.018 1.00 0.00 H new ATOM 847 N LEU D 3 22.986 -4.379 -1.139 1.00 0.00 N ATOM 848 CA LEU D 3 22.386 -5.303 -2.135 1.00 0.00 C ATOM 849 C LEU D 3 20.883 -5.334 -1.920 1.00 0.00 C ATOM 850 O LEU D 3 20.110 -4.977 -2.787 1.00 0.00 O ATOM 851 CB LEU D 3 23.000 -6.661 -1.840 1.00 0.00 C ATOM 852 CG LEU D 3 24.183 -6.893 -2.758 1.00 0.00 C ATOM 853 CD1 LEU D 3 25.179 -5.749 -2.596 1.00 0.00 C ATOM 854 CD2 LEU D 3 24.860 -8.218 -2.402 1.00 0.00 C ATOM 0 H LEU D 3 23.812 -4.737 -0.660 1.00 0.00 H new ATOM 0 HA LEU D 3 22.572 -5.004 -3.166 1.00 0.00 H new ATOM 0 HB2 LEU D 3 23.320 -6.709 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU D 3 22.257 -7.446 -1.982 1.00 0.00 H new ATOM 0 HG LEU D 3 23.839 -6.933 -3.791 1.00 0.00 H new ATOM 0 HD11 LEU D 3 26.032 -5.913 -3.255 1.00 0.00 H new ATOM 0 HD12 LEU D 3 24.696 -4.807 -2.855 1.00 0.00 H new ATOM 0 HD13 LEU D 3 25.522 -5.709 -1.562 1.00 0.00 H new ATOM 0 HD21 LEU D 3 25.710 -8.382 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU D 3 25.206 -8.184 -1.369 1.00 0.00 H new ATOM 0 HD23 LEU D 3 24.147 -9.034 -2.519 1.00 0.00 H new ATOM 866 N ARG D 4 20.466 -5.729 -0.752 1.00 0.00 N ATOM 867 CA ARG D 4 19.014 -5.751 -0.463 1.00 0.00 C ATOM 868 C ARG D 4 18.406 -4.438 -0.941 1.00 0.00 C ATOM 869 O ARG D 4 17.243 -4.363 -1.277 1.00 0.00 O ATOM 870 CB ARG D 4 18.898 -5.897 1.058 1.00 0.00 C ATOM 871 CG ARG D 4 19.567 -4.705 1.758 1.00 0.00 C ATOM 872 CD ARG D 4 21.073 -4.946 1.981 1.00 0.00 C ATOM 873 NE ARG D 4 21.261 -6.419 2.126 1.00 0.00 N ATOM 874 CZ ARG D 4 20.830 -7.032 3.194 1.00 0.00 C ATOM 875 NH1 ARG D 4 20.996 -6.493 4.372 1.00 0.00 N ATOM 876 NH2 ARG D 4 20.237 -8.190 3.085 1.00 0.00 N ATOM 0 H ARG D 4 21.069 -6.036 0.011 1.00 0.00 H new ATOM 0 HA ARG D 4 18.488 -6.563 -0.966 1.00 0.00 H new ATOM 0 HB2 ARG D 4 17.848 -5.955 1.346 1.00 0.00 H new ATOM 0 HB3 ARG D 4 19.368 -6.827 1.378 1.00 0.00 H new ATOM 0 HG2 ARG D 4 19.427 -3.806 1.158 1.00 0.00 H new ATOM 0 HG3 ARG D 4 19.081 -4.527 2.717 1.00 0.00 H new ATOM 0 HD2 ARG D 4 21.653 -4.564 1.141 1.00 0.00 H new ATOM 0 HD3 ARG D 4 21.420 -4.423 2.872 1.00 0.00 H new ATOM 0 HE ARG D 4 21.727 -6.948 1.389 1.00 0.00 H new ATOM 0 HH11 ARG D 4 21.464 -5.591 4.459 1.00 0.00 H new ATOM 0 HH12 ARG D 4 20.658 -6.974 5.205 1.00 0.00 H new ATOM 0 HH21 ARG D 4 20.111 -8.614 2.166 1.00 0.00 H new ATOM 0 HH22 ARG D 4 19.899 -8.671 3.919 1.00 0.00 H new ATOM 890 N ARG D 5 19.200 -3.402 -0.989 1.00 0.00 N ATOM 891 CA ARG D 5 18.680 -2.090 -1.469 1.00 0.00 C ATOM 892 C ARG D 5 18.825 -1.994 -2.991 1.00 0.00 C ATOM 893 O ARG D 5 18.058 -1.329 -3.659 1.00 0.00 O ATOM 894 CB ARG D 5 19.535 -1.030 -0.748 1.00 0.00 C ATOM 895 CG ARG D 5 20.468 -0.303 -1.731 1.00 0.00 C ATOM 896 CD ARG D 5 21.572 0.424 -0.960 1.00 0.00 C ATOM 897 NE ARG D 5 20.914 1.640 -0.409 1.00 0.00 N ATOM 898 CZ ARG D 5 21.145 2.005 0.823 1.00 0.00 C ATOM 899 NH1 ARG D 5 22.274 2.580 1.135 1.00 0.00 N ATOM 900 NH2 ARG D 5 20.245 1.791 1.745 1.00 0.00 N ATOM 0 H ARG D 5 20.183 -3.408 -0.717 1.00 0.00 H new ATOM 0 HA ARG D 5 17.621 -1.952 -1.253 1.00 0.00 H new ATOM 0 HB2 ARG D 5 18.884 -0.306 -0.258 1.00 0.00 H new ATOM 0 HB3 ARG D 5 20.127 -1.507 0.034 1.00 0.00 H new ATOM 0 HG2 ARG D 5 20.908 -1.019 -2.425 1.00 0.00 H new ATOM 0 HG3 ARG D 5 19.898 0.410 -2.327 1.00 0.00 H new ATOM 0 HD2 ARG D 5 21.977 -0.202 -0.164 1.00 0.00 H new ATOM 0 HD3 ARG D 5 22.404 0.686 -1.614 1.00 0.00 H new ATOM 0 HE ARG D 5 20.283 2.188 -0.994 1.00 0.00 H new ATOM 0 HH11 ARG D 5 22.978 2.745 0.416 1.00 0.00 H new ATOM 0 HH12 ARG D 5 22.452 2.864 2.098 1.00 0.00 H new ATOM 0 HH21 ARG D 5 19.363 1.339 1.502 1.00 0.00 H new ATOM 0 HH22 ARG D 5 20.424 2.076 2.708 1.00 0.00 H new ATOM 914 N PHE D 6 19.812 -2.642 -3.537 1.00 0.00 N ATOM 915 CA PHE D 6 20.022 -2.579 -5.007 1.00 0.00 C ATOM 916 C PHE D 6 19.216 -3.675 -5.718 1.00 0.00 C ATOM 917 O PHE D 6 18.526 -3.416 -6.683 1.00 0.00 O ATOM 918 CB PHE D 6 21.533 -2.765 -5.178 1.00 0.00 C ATOM 919 CG PHE D 6 21.849 -3.635 -6.354 1.00 0.00 C ATOM 920 CD1 PHE D 6 22.011 -3.064 -7.613 1.00 0.00 C ATOM 921 CD2 PHE D 6 21.993 -5.008 -6.176 1.00 0.00 C ATOM 922 CE1 PHE D 6 22.316 -3.870 -8.706 1.00 0.00 C ATOM 923 CE2 PHE D 6 22.300 -5.819 -7.265 1.00 0.00 C ATOM 924 CZ PHE D 6 22.463 -5.253 -8.535 1.00 0.00 C ATOM 0 H PHE D 6 20.485 -3.215 -3.027 1.00 0.00 H new ATOM 0 HA PHE D 6 19.681 -1.643 -5.449 1.00 0.00 H new ATOM 0 HB2 PHE D 6 22.008 -1.792 -5.306 1.00 0.00 H new ATOM 0 HB3 PHE D 6 21.951 -3.208 -4.274 1.00 0.00 H new ATOM 0 HD1 PHE D 6 21.900 -1.997 -7.742 1.00 0.00 H new ATOM 0 HD2 PHE D 6 21.867 -5.443 -5.196 1.00 0.00 H new ATOM 0 HE1 PHE D 6 22.439 -3.430 -9.685 1.00 0.00 H new ATOM 0 HE2 PHE D 6 22.412 -6.885 -7.130 1.00 0.00 H new ATOM 0 HZ PHE D 6 22.701 -5.881 -9.381 1.00 0.00 H new ATOM 934 N PHE D 7 19.304 -4.896 -5.264 1.00 0.00 N ATOM 935 CA PHE D 7 18.545 -5.977 -5.937 1.00 0.00 C ATOM 936 C PHE D 7 17.043 -5.787 -5.703 1.00 0.00 C ATOM 937 O PHE D 7 16.230 -6.142 -6.534 1.00 0.00 O ATOM 938 CB PHE D 7 19.090 -7.292 -5.349 1.00 0.00 C ATOM 939 CG PHE D 7 18.170 -7.868 -4.294 1.00 0.00 C ATOM 940 CD1 PHE D 7 16.907 -8.360 -4.650 1.00 0.00 C ATOM 941 CD2 PHE D 7 18.592 -7.930 -2.963 1.00 0.00 C ATOM 942 CE1 PHE D 7 16.068 -8.910 -3.672 1.00 0.00 C ATOM 943 CE2 PHE D 7 17.756 -8.478 -1.986 1.00 0.00 C ATOM 944 CZ PHE D 7 16.494 -8.969 -2.339 1.00 0.00 C ATOM 0 H PHE D 7 19.865 -5.186 -4.463 1.00 0.00 H new ATOM 0 HA PHE D 7 18.671 -5.976 -7.020 1.00 0.00 H new ATOM 0 HB2 PHE D 7 19.223 -8.019 -6.150 1.00 0.00 H new ATOM 0 HB3 PHE D 7 20.073 -7.114 -4.914 1.00 0.00 H new ATOM 0 HD1 PHE D 7 16.580 -8.315 -5.678 1.00 0.00 H new ATOM 0 HD2 PHE D 7 19.566 -7.554 -2.689 1.00 0.00 H new ATOM 0 HE1 PHE D 7 15.094 -9.288 -3.946 1.00 0.00 H new ATOM 0 HE2 PHE D 7 18.084 -8.523 -0.958 1.00 0.00 H new ATOM 0 HZ PHE D 7 15.849 -9.393 -1.584 1.00 0.00 H new ATOM 954 N LYS D 8 16.665 -5.214 -4.591 1.00 0.00 N ATOM 955 CA LYS D 8 15.219 -4.994 -4.337 1.00 0.00 C ATOM 956 C LYS D 8 14.593 -4.298 -5.544 1.00 0.00 C ATOM 957 O LYS D 8 13.650 -4.784 -6.138 1.00 0.00 O ATOM 958 CB LYS D 8 15.158 -4.100 -3.111 1.00 0.00 C ATOM 959 CG LYS D 8 14.648 -4.906 -1.914 1.00 0.00 C ATOM 960 CD LYS D 8 14.459 -3.978 -0.713 1.00 0.00 C ATOM 961 CE LYS D 8 14.820 -4.727 0.572 1.00 0.00 C ATOM 962 NZ LYS D 8 14.340 -3.850 1.676 1.00 0.00 N ATOM 0 H LYS D 8 17.293 -4.892 -3.855 1.00 0.00 H new ATOM 0 HA LYS D 8 14.675 -5.925 -4.177 1.00 0.00 H new ATOM 0 HB2 LYS D 8 16.146 -3.694 -2.895 1.00 0.00 H new ATOM 0 HB3 LYS D 8 14.499 -3.252 -3.299 1.00 0.00 H new ATOM 0 HG2 LYS D 8 13.704 -5.390 -2.164 1.00 0.00 H new ATOM 0 HG3 LYS D 8 15.356 -5.697 -1.667 1.00 0.00 H new ATOM 0 HD2 LYS D 8 15.088 -3.094 -0.820 1.00 0.00 H new ATOM 0 HD3 LYS D 8 13.427 -3.631 -0.667 1.00 0.00 H new ATOM 0 HE2 LYS D 8 14.340 -5.705 0.607 1.00 0.00 H new ATOM 0 HE3 LYS D 8 15.894 -4.897 0.641 1.00 0.00 H new ATOM 0 HZ1 LYS D 8 14.552 -4.296 2.591 1.00 0.00 H new ATOM 0 HZ2 LYS D 8 14.819 -2.929 1.621 1.00 0.00 H new ATOM 0 HZ3 LYS D 8 13.313 -3.712 1.588 1.00 0.00 H new ATOM 976 N ALA D 9 15.124 -3.166 -5.919 1.00 0.00 N ATOM 977 CA ALA D 9 14.580 -2.439 -7.093 1.00 0.00 C ATOM 978 C ALA D 9 14.616 -3.350 -8.318 1.00 0.00 C ATOM 979 O ALA D 9 13.752 -3.306 -9.170 1.00 0.00 O ATOM 980 CB ALA D 9 15.520 -1.252 -7.289 1.00 0.00 C ATOM 0 H ALA D 9 15.914 -2.715 -5.459 1.00 0.00 H new ATOM 0 HA ALA D 9 13.547 -2.122 -6.950 1.00 0.00 H new ATOM 0 HB1 ALA D 9 15.186 -0.661 -8.142 1.00 0.00 H new ATOM 0 HB2 ALA D 9 15.515 -0.632 -6.393 1.00 0.00 H new ATOM 0 HB3 ALA D 9 16.531 -1.615 -7.473 1.00 0.00 H new ATOM 986 N LYS D 10 15.617 -4.179 -8.406 1.00 0.00 N ATOM 987 CA LYS D 10 15.730 -5.100 -9.555 1.00 0.00 C ATOM 988 C LYS D 10 14.498 -6.004 -9.630 1.00 0.00 C ATOM 989 O LYS D 10 13.686 -5.886 -10.526 1.00 0.00 O ATOM 990 CB LYS D 10 16.980 -5.901 -9.260 1.00 0.00 C ATOM 991 CG LYS D 10 17.659 -6.287 -10.568 1.00 0.00 C ATOM 992 CD LYS D 10 17.417 -7.766 -10.817 1.00 0.00 C ATOM 993 CE LYS D 10 18.443 -8.584 -10.032 1.00 0.00 C ATOM 994 NZ LYS D 10 18.599 -9.850 -10.801 1.00 0.00 N ATOM 0 H LYS D 10 16.368 -4.254 -7.719 1.00 0.00 H new ATOM 0 HA LYS D 10 15.788 -4.585 -10.514 1.00 0.00 H new ATOM 0 HB2 LYS D 10 17.662 -5.316 -8.643 1.00 0.00 H new ATOM 0 HB3 LYS D 10 16.725 -6.796 -8.693 1.00 0.00 H new ATOM 0 HG2 LYS D 10 17.261 -5.694 -11.391 1.00 0.00 H new ATOM 0 HG3 LYS D 10 18.728 -6.081 -10.515 1.00 0.00 H new ATOM 0 HD2 LYS D 10 16.407 -8.038 -10.511 1.00 0.00 H new ATOM 0 HD3 LYS D 10 17.497 -7.985 -11.882 1.00 0.00 H new ATOM 0 HE2 LYS D 10 19.391 -8.053 -9.950 1.00 0.00 H new ATOM 0 HE3 LYS D 10 18.098 -8.779 -9.017 1.00 0.00 H new ATOM 0 HZ1 LYS D 10 19.289 -10.464 -10.323 1.00 0.00 H new ATOM 0 HZ2 LYS D 10 17.682 -10.338 -10.857 1.00 0.00 H new ATOM 0 HZ3 LYS D 10 18.935 -9.634 -11.761 1.00 0.00 H new ATOM 1008 N LYS D 11 14.351 -6.903 -8.699 1.00 0.00 N ATOM 1009 CA LYS D 11 13.172 -7.809 -8.721 1.00 0.00 C ATOM 1010 C LYS D 11 11.902 -7.016 -9.046 1.00 0.00 C ATOM 1011 O LYS D 11 10.989 -7.515 -9.670 1.00 0.00 O ATOM 1012 CB LYS D 11 13.094 -8.388 -7.308 1.00 0.00 C ATOM 1013 CG LYS D 11 14.235 -9.385 -7.102 1.00 0.00 C ATOM 1014 CD LYS D 11 13.910 -10.687 -7.836 1.00 0.00 C ATOM 1015 CE LYS D 11 14.936 -11.756 -7.459 1.00 0.00 C ATOM 1016 NZ LYS D 11 15.070 -12.604 -8.676 1.00 0.00 N ATOM 0 H LYS D 11 14.997 -7.049 -7.923 1.00 0.00 H new ATOM 0 HA LYS D 11 13.263 -8.588 -9.478 1.00 0.00 H new ATOM 0 HB2 LYS D 11 13.159 -7.587 -6.571 1.00 0.00 H new ATOM 0 HB3 LYS D 11 12.134 -8.882 -7.158 1.00 0.00 H new ATOM 0 HG2 LYS D 11 15.170 -8.967 -7.476 1.00 0.00 H new ATOM 0 HG3 LYS D 11 14.376 -9.579 -6.039 1.00 0.00 H new ATOM 0 HD2 LYS D 11 12.907 -11.023 -7.575 1.00 0.00 H new ATOM 0 HD3 LYS D 11 13.921 -10.522 -8.913 1.00 0.00 H new ATOM 0 HE2 LYS D 11 15.890 -11.308 -7.183 1.00 0.00 H new ATOM 0 HE3 LYS D 11 14.600 -12.342 -6.604 1.00 0.00 H new ATOM 0 HZ1 LYS D 11 15.759 -13.362 -8.497 1.00 0.00 H new ATOM 0 HZ2 LYS D 11 14.147 -13.022 -8.911 1.00 0.00 H new ATOM 0 HZ3 LYS D 11 15.398 -12.020 -9.472 1.00 0.00 H new ATOM 1030 N LEU D 12 11.838 -5.785 -8.616 1.00 0.00 N ATOM 1031 CA LEU D 12 10.631 -4.960 -8.882 1.00 0.00 C ATOM 1032 C LEU D 12 10.472 -4.677 -10.381 1.00 0.00 C ATOM 1033 O LEU D 12 9.427 -4.246 -10.825 1.00 0.00 O ATOM 1034 CB LEU D 12 10.864 -3.660 -8.114 1.00 0.00 C ATOM 1035 CG LEU D 12 10.488 -3.862 -6.646 1.00 0.00 C ATOM 1036 CD1 LEU D 12 10.665 -2.546 -5.889 1.00 0.00 C ATOM 1037 CD2 LEU D 12 9.027 -4.311 -6.553 1.00 0.00 C ATOM 0 H LEU D 12 12.575 -5.315 -8.090 1.00 0.00 H new ATOM 0 HA LEU D 12 9.719 -5.469 -8.569 1.00 0.00 H new ATOM 0 HB2 LEU D 12 11.909 -3.359 -8.195 1.00 0.00 H new ATOM 0 HB3 LEU D 12 10.267 -2.857 -8.547 1.00 0.00 H new ATOM 0 HG LEU D 12 11.132 -4.623 -6.206 1.00 0.00 H new ATOM 0 HD11 LEU D 12 10.397 -2.689 -4.842 1.00 0.00 H new ATOM 0 HD12 LEU D 12 11.704 -2.224 -5.957 1.00 0.00 H new ATOM 0 HD13 LEU D 12 10.020 -1.784 -6.327 1.00 0.00 H new ATOM 0 HD21 LEU D 12 8.757 -4.456 -5.507 1.00 0.00 H new ATOM 0 HD22 LEU D 12 8.383 -3.549 -6.992 1.00 0.00 H new ATOM 0 HD23 LEU D 12 8.899 -5.249 -7.094 1.00 0.00 H new ATOM 1049 N ILE D 13 11.490 -4.911 -11.166 1.00 0.00 N ATOM 1050 CA ILE D 13 11.363 -4.644 -12.631 1.00 0.00 C ATOM 1051 C ILE D 13 12.168 -5.641 -13.442 1.00 0.00 C ATOM 1052 O ILE D 13 12.903 -5.290 -14.342 1.00 0.00 O ATOM 1053 CB ILE D 13 11.880 -3.221 -12.864 1.00 0.00 C ATOM 1054 CG1 ILE D 13 13.089 -2.925 -11.971 1.00 0.00 C ATOM 1055 CG2 ILE D 13 10.770 -2.217 -12.559 1.00 0.00 C ATOM 1056 CD1 ILE D 13 14.370 -3.027 -12.801 1.00 0.00 C ATOM 0 H ILE D 13 12.395 -5.271 -10.862 1.00 0.00 H new ATOM 0 HA ILE D 13 10.326 -4.745 -12.950 1.00 0.00 H new ATOM 0 HB ILE D 13 12.187 -3.134 -13.906 1.00 0.00 H new ATOM 0 HG12 ILE D 13 13.001 -1.928 -11.539 1.00 0.00 H new ATOM 0 HG13 ILE D 13 13.123 -3.630 -11.141 1.00 0.00 H new ATOM 0 HG21 ILE D 13 11.139 -1.205 -12.725 1.00 0.00 H new ATOM 0 HG22 ILE D 13 9.919 -2.405 -13.214 1.00 0.00 H new ATOM 0 HG23 ILE D 13 10.458 -2.324 -11.520 1.00 0.00 H new ATOM 0 HD11 ILE D 13 15.232 -2.817 -12.168 1.00 0.00 H new ATOM 0 HD12 ILE D 13 14.458 -4.033 -13.212 1.00 0.00 H new ATOM 0 HD13 ILE D 13 14.334 -2.304 -13.616 1.00 0.00 H new ATOM 1068 N GLU D 14 12.038 -6.882 -13.115 1.00 0.00 N ATOM 1069 CA GLU D 14 12.784 -7.928 -13.829 1.00 0.00 C ATOM 1070 C GLU D 14 11.861 -9.089 -14.210 1.00 0.00 C ATOM 1071 O GLU D 14 12.375 -10.120 -14.614 1.00 0.00 O ATOM 1072 CB GLU D 14 13.815 -8.358 -12.807 1.00 0.00 C ATOM 1073 CG GLU D 14 14.732 -7.176 -12.509 1.00 0.00 C ATOM 1074 CD GLU D 14 15.930 -7.198 -13.459 1.00 0.00 C ATOM 1075 OE1 GLU D 14 16.020 -8.125 -14.247 1.00 0.00 O ATOM 1076 OE2 GLU D 14 16.738 -6.286 -13.383 1.00 0.00 O ATOM 1077 OXT GLU D 14 10.657 -8.928 -14.088 1.00 0.00 O ATOM 0 H GLU D 14 11.433 -7.221 -12.367 1.00 0.00 H new ATOM 0 HA GLU D 14 13.225 -7.588 -14.766 1.00 0.00 H new ATOM 0 HB2 GLU D 14 13.324 -8.695 -11.894 1.00 0.00 H new ATOM 0 HB3 GLU D 14 14.395 -9.200 -13.186 1.00 0.00 H new ATOM 0 HG2 GLU D 14 14.184 -6.241 -12.622 1.00 0.00 H new ATOM 0 HG3 GLU D 14 15.075 -7.221 -11.475 1.00 0.00 H new