USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=10 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+ 159:sc= 0.00553 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -163:sc= -0.177 (180deg=-0.48) 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+ -161:sc= 0.987 (180deg=0.343) USER MOD Single : B 2 TYR OH : rot 150: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+ -163:sc= 0.143 (180deg=0.0675) USER MOD Single : C 1 CYS SG : rot 180:sc= -0.489! USER MOD Single : C 2 TYR OH : rot 25:sc= 0.184 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 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+ -159:sc= -0.219 (180deg=-1.73!) USER MOD Single : D 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 3.418 5.933 -6.788 1.00 0.00 N ATOM 2 CA CYS A 1 3.907 6.058 -5.384 1.00 0.00 C ATOM 3 C CYS A 1 4.830 4.903 -5.050 1.00 0.00 C ATOM 4 O CYS A 1 4.561 4.093 -4.185 1.00 0.00 O ATOM 5 CB CYS A 1 2.652 6.014 -4.515 1.00 0.00 C ATOM 6 SG CYS A 1 1.861 7.643 -4.497 1.00 0.00 S ATOM 0 H1 CYS A 1 2.545 6.487 -6.902 1.00 0.00 H new ATOM 0 H2 CYS A 1 4.144 6.291 -7.441 1.00 0.00 H new ATOM 0 H3 CYS A 1 3.224 4.934 -7.000 1.00 0.00 H new ATOM 0 HA CYS A 1 4.474 6.975 -5.225 1.00 0.00 H new ATOM 0 HB2 CYS A 1 1.958 5.267 -4.900 1.00 0.00 H new ATOM 0 HB3 CYS A 1 2.912 5.715 -3.500 1.00 0.00 H new ATOM 13 N TYR A 2 5.926 4.837 -5.731 1.00 0.00 N ATOM 14 CA TYR A 2 6.900 3.759 -5.474 1.00 0.00 C ATOM 15 C TYR A 2 8.103 3.971 -6.399 1.00 0.00 C ATOM 16 O TYR A 2 9.227 3.687 -6.041 1.00 0.00 O ATOM 17 CB TYR A 2 6.129 2.457 -5.755 1.00 0.00 C ATOM 18 CG TYR A 2 6.516 1.896 -7.095 1.00 0.00 C ATOM 19 CD1 TYR A 2 7.801 1.385 -7.288 1.00 0.00 C ATOM 20 CD2 TYR A 2 5.598 1.909 -8.143 1.00 0.00 C ATOM 21 CE1 TYR A 2 8.172 0.884 -8.532 1.00 0.00 C ATOM 22 CE2 TYR A 2 5.961 1.405 -9.390 1.00 0.00 C ATOM 23 CZ TYR A 2 7.252 0.891 -9.591 1.00 0.00 C ATOM 24 OH TYR A 2 7.614 0.394 -10.826 1.00 0.00 O ATOM 0 H TYR A 2 6.192 5.493 -6.465 1.00 0.00 H new ATOM 0 HA TYR A 2 7.297 3.735 -4.459 1.00 0.00 H new ATOM 0 HB2 TYR A 2 6.339 1.727 -4.974 1.00 0.00 H new ATOM 0 HB3 TYR A 2 5.056 2.650 -5.731 1.00 0.00 H new ATOM 0 HD1 TYR A 2 8.507 1.379 -6.471 1.00 0.00 H new ATOM 0 HD2 TYR A 2 4.607 2.309 -7.989 1.00 0.00 H new ATOM 0 HE1 TYR A 2 9.166 0.490 -8.682 1.00 0.00 H new ATOM 0 HE2 TYR A 2 5.249 1.410 -10.202 1.00 0.00 H new ATOM 0 HH TYR A 2 6.858 0.474 -11.445 1.00 0.00 H new ATOM 34 N LEU A 3 7.877 4.498 -7.578 1.00 0.00 N ATOM 35 CA LEU A 3 9.018 4.760 -8.492 1.00 0.00 C ATOM 36 C LEU A 3 10.092 5.465 -7.683 1.00 0.00 C ATOM 37 O LEU A 3 11.275 5.235 -7.832 1.00 0.00 O ATOM 38 CB LEU A 3 8.462 5.685 -9.562 1.00 0.00 C ATOM 39 CG LEU A 3 7.961 4.868 -10.734 1.00 0.00 C ATOM 40 CD1 LEU A 3 6.900 3.884 -10.249 1.00 0.00 C ATOM 41 CD2 LEU A 3 7.353 5.799 -11.780 1.00 0.00 C ATOM 0 H LEU A 3 6.958 4.754 -7.939 1.00 0.00 H new ATOM 0 HA LEU A 3 9.446 3.862 -8.937 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.650 6.285 -9.151 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.235 6.379 -9.894 1.00 0.00 H new ATOM 0 HG LEU A 3 8.791 4.318 -11.177 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.538 3.295 -11.092 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.334 3.220 -9.502 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.069 4.434 -9.807 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.992 5.211 -12.624 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.522 6.349 -11.339 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.111 6.503 -12.125 1.00 0.00 H new ATOM 53 N ARG A 4 9.653 6.304 -6.790 1.00 0.00 N ATOM 54 CA ARG A 4 10.599 7.026 -5.905 1.00 0.00 C ATOM 55 C ARG A 4 11.405 5.988 -5.143 1.00 0.00 C ATOM 56 O ARG A 4 12.602 6.102 -4.980 1.00 0.00 O ATOM 57 CB ARG A 4 9.734 7.849 -4.935 1.00 0.00 C ATOM 58 CG ARG A 4 8.500 8.406 -5.657 1.00 0.00 C ATOM 59 CD ARG A 4 7.255 7.619 -5.223 1.00 0.00 C ATOM 60 NE ARG A 4 6.121 8.283 -5.924 1.00 0.00 N ATOM 61 CZ ARG A 4 5.631 9.404 -5.465 1.00 0.00 C ATOM 62 NH1 ARG A 4 6.138 9.955 -4.394 1.00 0.00 N ATOM 63 NH2 ARG A 4 4.631 9.978 -6.079 1.00 0.00 N ATOM 0 H ARG A 4 8.668 6.521 -6.636 1.00 0.00 H new ATOM 0 HA ARG A 4 11.283 7.675 -6.452 1.00 0.00 H new ATOM 0 HB2 ARG A 4 9.422 7.225 -4.098 1.00 0.00 H new ATOM 0 HB3 ARG A 4 10.321 8.669 -4.521 1.00 0.00 H new ATOM 0 HG2 ARG A 4 8.375 9.463 -5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 4 8.632 8.332 -6.736 1.00 0.00 H new ATOM 0 HD2 ARG A 4 7.333 6.569 -5.504 1.00 0.00 H new ATOM 0 HD3 ARG A 4 7.124 7.651 -4.141 1.00 0.00 H new ATOM 0 HE ARG A 4 5.726 7.862 -6.765 1.00 0.00 H new ATOM 0 HH11 ARG A 4 6.919 9.510 -3.913 1.00 0.00 H new ATOM 0 HH12 ARG A 4 5.752 10.830 -4.039 1.00 0.00 H new ATOM 0 HH21 ARG A 4 4.234 9.551 -6.916 1.00 0.00 H new ATOM 0 HH22 ARG A 4 4.248 10.853 -5.722 1.00 0.00 H new ATOM 77 N ARG A 5 10.746 4.959 -4.685 1.00 0.00 N ATOM 78 CA ARG A 5 11.466 3.887 -3.939 1.00 0.00 C ATOM 79 C ARG A 5 12.225 2.972 -4.911 1.00 0.00 C ATOM 80 O ARG A 5 12.987 2.118 -4.501 1.00 0.00 O ATOM 81 CB ARG A 5 10.373 3.119 -3.176 1.00 0.00 C ATOM 82 CG ARG A 5 9.949 1.863 -3.952 1.00 0.00 C ATOM 83 CD ARG A 5 8.477 1.554 -3.675 1.00 0.00 C ATOM 84 NE ARG A 5 8.489 0.563 -2.563 1.00 0.00 N ATOM 85 CZ ARG A 5 7.525 -0.314 -2.463 1.00 0.00 C ATOM 86 NH1 ARG A 5 6.388 0.024 -1.920 1.00 0.00 N ATOM 87 NH2 ARG A 5 7.700 -1.529 -2.907 1.00 0.00 N ATOM 0 H ARG A 5 9.742 4.814 -4.794 1.00 0.00 H new ATOM 0 HA ARG A 5 12.214 4.290 -3.257 1.00 0.00 H new ATOM 0 HB2 ARG A 5 10.741 2.836 -2.190 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.509 3.765 -3.020 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.103 2.015 -5.020 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.569 1.016 -3.658 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.932 2.455 -3.394 1.00 0.00 H new ATOM 0 HD3 ARG A 5 7.987 1.148 -4.560 1.00 0.00 H new ATOM 0 HE ARG A 5 9.248 0.569 -1.881 1.00 0.00 H new ATOM 0 HH11 ARG A 5 6.251 0.973 -1.573 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.636 -0.661 -1.842 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.589 -1.794 -3.332 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.948 -2.214 -2.829 1.00 0.00 H new ATOM 101 N PHE A 6 12.018 3.132 -6.188 1.00 0.00 N ATOM 102 CA PHE A 6 12.725 2.256 -7.164 1.00 0.00 C ATOM 103 C PHE A 6 13.928 2.987 -7.775 1.00 0.00 C ATOM 104 O PHE A 6 15.044 2.509 -7.722 1.00 0.00 O ATOM 105 CB PHE A 6 11.656 1.904 -8.214 1.00 0.00 C ATOM 106 CG PHE A 6 12.098 2.261 -9.602 1.00 0.00 C ATOM 107 CD1 PHE A 6 12.898 1.375 -10.319 1.00 0.00 C ATOM 108 CD2 PHE A 6 11.697 3.468 -10.169 1.00 0.00 C ATOM 109 CE1 PHE A 6 13.301 1.697 -11.612 1.00 0.00 C ATOM 110 CE2 PHE A 6 12.099 3.795 -11.461 1.00 0.00 C ATOM 111 CZ PHE A 6 12.904 2.910 -12.189 1.00 0.00 C ATOM 0 H PHE A 6 11.394 3.827 -6.597 1.00 0.00 H new ATOM 0 HA PHE A 6 13.139 1.357 -6.707 1.00 0.00 H new ATOM 0 HB2 PHE A 6 11.437 0.837 -8.166 1.00 0.00 H new ATOM 0 HB3 PHE A 6 10.731 2.431 -7.981 1.00 0.00 H new ATOM 0 HD1 PHE A 6 13.205 0.440 -9.873 1.00 0.00 H new ATOM 0 HD2 PHE A 6 11.075 4.149 -9.607 1.00 0.00 H new ATOM 0 HE1 PHE A 6 13.920 1.011 -12.171 1.00 0.00 H new ATOM 0 HE2 PHE A 6 11.790 4.731 -11.902 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.217 3.162 -13.191 1.00 0.00 H new ATOM 121 N PHE A 7 13.713 4.132 -8.361 1.00 0.00 N ATOM 122 CA PHE A 7 14.846 4.864 -8.975 1.00 0.00 C ATOM 123 C PHE A 7 15.796 5.373 -7.892 1.00 0.00 C ATOM 124 O PHE A 7 16.943 5.678 -8.153 1.00 0.00 O ATOM 125 CB PHE A 7 14.205 6.008 -9.775 1.00 0.00 C ATOM 126 CG PHE A 7 14.089 7.268 -8.944 1.00 0.00 C ATOM 127 CD1 PHE A 7 15.234 8.008 -8.630 1.00 0.00 C ATOM 128 CD2 PHE A 7 12.832 7.701 -8.506 1.00 0.00 C ATOM 129 CE1 PHE A 7 15.123 9.182 -7.876 1.00 0.00 C ATOM 130 CE2 PHE A 7 12.722 8.874 -7.751 1.00 0.00 C ATOM 131 CZ PHE A 7 13.867 9.615 -7.436 1.00 0.00 C ATOM 0 H PHE A 7 12.804 4.588 -8.439 1.00 0.00 H new ATOM 0 HA PHE A 7 15.451 4.233 -9.626 1.00 0.00 H new ATOM 0 HB2 PHE A 7 14.802 6.211 -10.664 1.00 0.00 H new ATOM 0 HB3 PHE A 7 13.216 5.704 -10.118 1.00 0.00 H new ATOM 0 HD1 PHE A 7 16.203 7.674 -8.969 1.00 0.00 H new ATOM 0 HD2 PHE A 7 11.948 7.130 -8.750 1.00 0.00 H new ATOM 0 HE1 PHE A 7 16.007 9.754 -7.634 1.00 0.00 H new ATOM 0 HE2 PHE A 7 11.753 9.208 -7.411 1.00 0.00 H new ATOM 0 HZ PHE A 7 13.781 10.520 -6.854 1.00 0.00 H new ATOM 141 N LYS A 8 15.335 5.462 -6.676 1.00 0.00 N ATOM 142 CA LYS A 8 16.219 5.942 -5.592 1.00 0.00 C ATOM 143 C LYS A 8 17.400 4.989 -5.421 1.00 0.00 C ATOM 144 O LYS A 8 18.547 5.386 -5.483 1.00 0.00 O ATOM 145 CB LYS A 8 15.355 5.946 -4.344 1.00 0.00 C ATOM 146 CG LYS A 8 14.921 7.376 -4.024 1.00 0.00 C ATOM 147 CD LYS A 8 14.581 7.479 -2.538 1.00 0.00 C ATOM 148 CE LYS A 8 13.144 7.009 -2.310 1.00 0.00 C ATOM 149 NZ LYS A 8 12.291 8.140 -2.770 1.00 0.00 N ATOM 0 H LYS A 8 14.385 5.222 -6.392 1.00 0.00 H new ATOM 0 HA LYS A 8 16.630 6.929 -5.802 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.479 5.315 -4.494 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.910 5.527 -3.504 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.718 8.075 -4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.055 7.649 -4.627 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.271 6.871 -1.953 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.697 8.508 -2.198 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.932 6.100 -2.873 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.965 6.782 -1.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.329 8.026 -2.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.693 9.038 -2.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.255 8.147 -3.809 1.00 0.00 H new ATOM 163 N ALA A 9 17.125 3.730 -5.213 1.00 0.00 N ATOM 164 CA ALA A 9 18.222 2.749 -5.046 1.00 0.00 C ATOM 165 C ALA A 9 18.938 2.550 -6.381 1.00 0.00 C ATOM 166 O ALA A 9 20.041 2.043 -6.442 1.00 0.00 O ATOM 167 CB ALA A 9 17.536 1.457 -4.604 1.00 0.00 C ATOM 0 H ALA A 9 16.183 3.343 -5.152 1.00 0.00 H new ATOM 0 HA ALA A 9 18.970 3.074 -4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.285 0.679 -4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.005 1.629 -3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.828 1.141 -5.370 1.00 0.00 H new ATOM 173 N LYS A 10 18.309 2.946 -7.452 1.00 0.00 N ATOM 174 CA LYS A 10 18.928 2.788 -8.782 1.00 0.00 C ATOM 175 C LYS A 10 20.135 3.714 -8.930 1.00 0.00 C ATOM 176 O LYS A 10 21.237 3.270 -9.186 1.00 0.00 O ATOM 177 CB LYS A 10 17.828 3.169 -9.754 1.00 0.00 C ATOM 178 CG LYS A 10 17.940 2.315 -11.017 1.00 0.00 C ATOM 179 CD LYS A 10 16.844 1.247 -11.010 1.00 0.00 C ATOM 180 CE LYS A 10 17.277 0.065 -11.883 1.00 0.00 C ATOM 181 NZ LYS A 10 16.700 0.349 -13.227 1.00 0.00 N ATOM 0 H LYS A 10 17.384 3.376 -7.455 1.00 0.00 H new ATOM 0 HA LYS A 10 19.300 1.778 -8.953 1.00 0.00 H new ATOM 0 HB2 LYS A 10 16.853 3.023 -9.290 1.00 0.00 H new ATOM 0 HB3 LYS A 10 17.905 4.226 -10.010 1.00 0.00 H new ATOM 0 HG2 LYS A 10 17.845 2.943 -11.903 1.00 0.00 H new ATOM 0 HG3 LYS A 10 18.922 1.844 -11.064 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.656 0.910 -9.990 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.910 1.667 -11.384 1.00 0.00 H new ATOM 0 HE2 LYS A 10 18.363 -0.016 -11.928 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.904 -0.878 -11.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 16.954 -0.417 -13.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.665 0.414 -13.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 17.079 1.249 -13.584 1.00 0.00 H new ATOM 195 N LYS A 11 19.946 4.997 -8.773 1.00 0.00 N ATOM 196 CA LYS A 11 21.094 5.929 -8.911 1.00 0.00 C ATOM 197 C LYS A 11 22.292 5.389 -8.120 1.00 0.00 C ATOM 198 O LYS A 11 23.434 5.574 -8.493 1.00 0.00 O ATOM 199 CB LYS A 11 20.577 7.275 -8.372 1.00 0.00 C ATOM 200 CG LYS A 11 21.277 7.650 -7.066 1.00 0.00 C ATOM 201 CD LYS A 11 22.635 8.284 -7.378 1.00 0.00 C ATOM 202 CE LYS A 11 23.613 7.991 -6.238 1.00 0.00 C ATOM 203 NZ LYS A 11 24.863 8.712 -6.611 1.00 0.00 N ATOM 0 H LYS A 11 19.050 5.435 -8.556 1.00 0.00 H new ATOM 0 HA LYS A 11 21.445 6.042 -9.937 1.00 0.00 H new ATOM 0 HB2 LYS A 11 20.743 8.056 -9.114 1.00 0.00 H new ATOM 0 HB3 LYS A 11 19.501 7.215 -8.207 1.00 0.00 H new ATOM 0 HG2 LYS A 11 20.661 8.347 -6.498 1.00 0.00 H new ATOM 0 HG3 LYS A 11 21.411 6.764 -6.446 1.00 0.00 H new ATOM 0 HD2 LYS A 11 23.025 7.889 -8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 11 22.524 9.361 -7.507 1.00 0.00 H new ATOM 0 HE2 LYS A 11 23.224 8.343 -5.283 1.00 0.00 H new ATOM 0 HE3 LYS A 11 23.790 6.920 -6.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 25.584 8.560 -5.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 25.214 8.351 -7.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 24.665 9.729 -6.696 1.00 0.00 H new ATOM 217 N LEU A 12 22.032 4.724 -7.029 1.00 0.00 N ATOM 218 CA LEU A 12 23.136 4.169 -6.205 1.00 0.00 C ATOM 219 C LEU A 12 23.913 3.110 -6.994 1.00 0.00 C ATOM 220 O LEU A 12 24.976 2.681 -6.590 1.00 0.00 O ATOM 221 CB LEU A 12 22.444 3.541 -4.998 1.00 0.00 C ATOM 222 CG LEU A 12 22.042 4.643 -4.018 1.00 0.00 C ATOM 223 CD1 LEU A 12 21.241 4.034 -2.867 1.00 0.00 C ATOM 224 CD2 LEU A 12 23.300 5.315 -3.462 1.00 0.00 C ATOM 0 H LEU A 12 21.094 4.541 -6.672 1.00 0.00 H new ATOM 0 HA LEU A 12 23.858 4.932 -5.913 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.564 2.984 -5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 12 23.111 2.830 -4.511 1.00 0.00 H new ATOM 0 HG LEU A 12 21.432 5.383 -4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 12 20.954 4.819 -2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 12 20.345 3.554 -3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 12 21.852 3.294 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 12 23.014 6.101 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 12 23.910 4.574 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 12 23.873 5.749 -4.281 1.00 0.00 H new ATOM 236 N ILE A 13 23.392 2.684 -8.114 1.00 0.00 N ATOM 237 CA ILE A 13 24.110 1.653 -8.920 1.00 0.00 C ATOM 238 C ILE A 13 23.925 1.904 -10.404 1.00 0.00 C ATOM 239 O ILE A 13 23.668 1.006 -11.181 1.00 0.00 O ATOM 240 CB ILE A 13 23.519 0.299 -8.527 1.00 0.00 C ATOM 241 CG1 ILE A 13 22.009 0.410 -8.293 1.00 0.00 C ATOM 242 CG2 ILE A 13 24.193 -0.200 -7.249 1.00 0.00 C ATOM 243 CD1 ILE A 13 21.263 0.028 -9.571 1.00 0.00 C ATOM 0 H ILE A 13 22.505 3.003 -8.504 1.00 0.00 H new ATOM 0 HA ILE A 13 25.182 1.685 -8.723 1.00 0.00 H new ATOM 0 HB ILE A 13 23.695 -0.404 -9.341 1.00 0.00 H new ATOM 0 HG12 ILE A 13 21.708 -0.245 -7.475 1.00 0.00 H new ATOM 0 HG13 ILE A 13 21.750 1.427 -7.999 1.00 0.00 H new ATOM 0 HG21 ILE A 13 23.772 -1.165 -6.969 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.264 -0.307 -7.421 1.00 0.00 H new ATOM 0 HG23 ILE A 13 24.025 0.517 -6.445 1.00 0.00 H new ATOM 0 HD11 ILE A 13 20.189 0.107 -9.403 1.00 0.00 H new ATOM 0 HD12 ILE A 13 21.555 0.701 -10.378 1.00 0.00 H new ATOM 0 HD13 ILE A 13 21.512 -0.997 -9.845 1.00 0.00 H new ATOM 255 N GLU A 14 24.045 3.127 -10.789 1.00 0.00 N ATOM 256 CA GLU A 14 23.877 3.492 -12.203 1.00 0.00 C ATOM 257 C GLU A 14 25.064 4.329 -12.689 1.00 0.00 C ATOM 258 O GLU A 14 25.734 4.912 -11.854 1.00 0.00 O ATOM 259 CB GLU A 14 22.602 4.306 -12.186 1.00 0.00 C ATOM 260 CG GLU A 14 21.457 3.402 -11.744 1.00 0.00 C ATOM 261 CD GLU A 14 20.743 2.840 -12.975 1.00 0.00 C ATOM 262 OE1 GLU A 14 20.166 3.623 -13.711 1.00 0.00 O ATOM 263 OE2 GLU A 14 20.787 1.634 -13.161 1.00 0.00 O ATOM 264 OXT GLU A 14 25.281 4.372 -13.890 1.00 0.00 O ATOM 0 H GLU A 14 24.258 3.908 -10.168 1.00 0.00 H new ATOM 0 HA GLU A 14 23.829 2.635 -12.875 1.00 0.00 H new ATOM 0 HB2 GLU A 14 22.701 5.152 -11.505 1.00 0.00 H new ATOM 0 HB3 GLU A 14 22.401 4.716 -13.176 1.00 0.00 H new ATOM 0 HG2 GLU A 14 21.840 2.587 -11.129 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.754 3.963 -11.128 1.00 0.00 H new ATOM 272 N CYS B 1 3.535 8.886 -2.476 1.00 0.00 N ATOM 273 CA CYS B 1 2.591 9.122 -1.345 1.00 0.00 C ATOM 274 C CYS B 1 2.642 7.964 -0.359 1.00 0.00 C ATOM 275 O CYS B 1 2.700 6.812 -0.734 1.00 0.00 O ATOM 276 CB CYS B 1 1.210 9.225 -1.991 1.00 0.00 C ATOM 277 SG CYS B 1 0.792 7.650 -2.782 1.00 0.00 S ATOM 0 H1 CYS B 1 3.734 9.787 -2.956 1.00 0.00 H new ATOM 0 H2 CYS B 1 4.422 8.485 -2.110 1.00 0.00 H new ATOM 0 H3 CYS B 1 3.108 8.221 -3.152 1.00 0.00 H new ATOM 0 HA CYS B 1 2.842 10.021 -0.782 1.00 0.00 H new ATOM 0 HB2 CYS B 1 0.463 9.475 -1.238 1.00 0.00 H new ATOM 0 HB3 CYS B 1 1.201 10.028 -2.728 1.00 0.00 H new ATOM 284 N TYR B 2 2.669 8.293 0.905 1.00 0.00 N ATOM 285 CA TYR B 2 2.763 7.272 1.989 1.00 0.00 C ATOM 286 C TYR B 2 4.231 6.891 2.159 1.00 0.00 C ATOM 287 O TYR B 2 4.629 6.309 3.147 1.00 0.00 O ATOM 288 CB TYR B 2 1.872 6.076 1.560 1.00 0.00 C ATOM 289 CG TYR B 2 2.716 4.852 1.268 1.00 0.00 C ATOM 290 CD1 TYR B 2 3.434 4.244 2.304 1.00 0.00 C ATOM 291 CD2 TYR B 2 2.800 4.342 -0.032 1.00 0.00 C ATOM 292 CE1 TYR B 2 4.234 3.132 2.044 1.00 0.00 C ATOM 293 CE2 TYR B 2 3.599 3.224 -0.292 1.00 0.00 C ATOM 294 CZ TYR B 2 4.319 2.619 0.745 1.00 0.00 C ATOM 295 OH TYR B 2 5.110 1.518 0.486 1.00 0.00 O ATOM 0 H TYR B 2 2.629 9.256 1.240 1.00 0.00 H new ATOM 0 HA TYR B 2 2.411 7.636 2.954 1.00 0.00 H new ATOM 0 HB2 TYR B 2 1.156 5.849 2.350 1.00 0.00 H new ATOM 0 HB3 TYR B 2 1.296 6.345 0.675 1.00 0.00 H new ATOM 0 HD1 TYR B 2 3.368 4.637 3.308 1.00 0.00 H new ATOM 0 HD2 TYR B 2 2.249 4.811 -0.834 1.00 0.00 H new ATOM 0 HE1 TYR B 2 4.788 2.666 2.846 1.00 0.00 H new ATOM 0 HE2 TYR B 2 3.661 2.827 -1.294 1.00 0.00 H new ATOM 0 HH TYR B 2 4.729 1.009 -0.260 1.00 0.00 H new ATOM 305 N LEU B 3 5.043 7.245 1.211 1.00 0.00 N ATOM 306 CA LEU B 3 6.474 6.933 1.315 1.00 0.00 C ATOM 307 C LEU B 3 7.096 7.911 2.283 1.00 0.00 C ATOM 308 O LEU B 3 7.919 7.558 3.104 1.00 0.00 O ATOM 309 CB LEU B 3 7.002 7.115 -0.084 1.00 0.00 C ATOM 310 CG LEU B 3 7.132 5.760 -0.747 1.00 0.00 C ATOM 311 CD1 LEU B 3 7.862 5.920 -2.068 1.00 0.00 C ATOM 312 CD2 LEU B 3 7.921 4.804 0.152 1.00 0.00 C ATOM 0 H LEU B 3 4.767 7.741 0.364 1.00 0.00 H new ATOM 0 HA LEU B 3 6.691 5.930 1.682 1.00 0.00 H new ATOM 0 HB2 LEU B 3 6.330 7.752 -0.659 1.00 0.00 H new ATOM 0 HB3 LEU B 3 7.970 7.615 -0.058 1.00 0.00 H new ATOM 0 HG LEU B 3 6.137 5.349 -0.916 1.00 0.00 H new ATOM 0 HD11 LEU B 3 7.959 4.947 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.299 6.592 -2.716 1.00 0.00 H new ATOM 0 HD13 LEU B 3 8.853 6.336 -1.888 1.00 0.00 H new ATOM 0 HD21 LEU B 3 8.007 3.833 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU B 3 8.917 5.210 0.330 1.00 0.00 H new ATOM 0 HD23 LEU B 3 7.401 4.687 1.103 1.00 0.00 H new ATOM 324 N ARG B 4 6.660 9.136 2.235 1.00 0.00 N ATOM 325 CA ARG B 4 7.179 10.120 3.202 1.00 0.00 C ATOM 326 C ARG B 4 7.070 9.481 4.581 1.00 0.00 C ATOM 327 O ARG B 4 7.833 9.758 5.485 1.00 0.00 O ATOM 328 CB ARG B 4 6.257 11.334 3.058 1.00 0.00 C ATOM 329 CG ARG B 4 4.890 11.058 3.702 1.00 0.00 C ATOM 330 CD ARG B 4 3.979 10.349 2.701 1.00 0.00 C ATOM 331 NE ARG B 4 2.663 10.243 3.390 1.00 0.00 N ATOM 332 CZ ARG B 4 1.772 11.183 3.243 1.00 0.00 C ATOM 333 NH1 ARG B 4 0.971 11.166 2.213 1.00 0.00 N ATOM 334 NH2 ARG B 4 1.678 12.139 4.127 1.00 0.00 N ATOM 0 H ARG B 4 5.972 9.491 1.571 1.00 0.00 H new ATOM 0 HA ARG B 4 8.216 10.417 3.045 1.00 0.00 H new ATOM 0 HB2 ARG B 4 6.717 12.204 3.528 1.00 0.00 H new ATOM 0 HB3 ARG B 4 6.126 11.574 2.003 1.00 0.00 H new ATOM 0 HG2 ARG B 4 5.015 10.442 4.593 1.00 0.00 H new ATOM 0 HG3 ARG B 4 4.434 11.994 4.023 1.00 0.00 H new ATOM 0 HD2 ARG B 4 3.895 10.915 1.773 1.00 0.00 H new ATOM 0 HD3 ARG B 4 4.369 9.365 2.440 1.00 0.00 H new ATOM 0 HE ARG B 4 2.459 9.434 3.977 1.00 0.00 H new ATOM 0 HH11 ARG B 4 1.042 10.418 1.524 1.00 0.00 H new ATOM 0 HH12 ARG B 4 0.273 11.901 2.097 1.00 0.00 H new ATOM 0 HH21 ARG B 4 2.302 12.151 4.934 1.00 0.00 H new ATOM 0 HH22 ARG B 4 0.980 12.874 4.011 1.00 0.00 H new ATOM 348 N ARG B 5 6.122 8.588 4.719 1.00 0.00 N ATOM 349 CA ARG B 5 5.945 7.873 6.009 1.00 0.00 C ATOM 350 C ARG B 5 6.794 6.593 5.989 1.00 0.00 C ATOM 351 O ARG B 5 7.230 6.101 7.010 1.00 0.00 O ATOM 352 CB ARG B 5 4.435 7.588 6.101 1.00 0.00 C ATOM 353 CG ARG B 5 4.123 6.108 5.846 1.00 0.00 C ATOM 354 CD ARG B 5 2.712 5.983 5.275 1.00 0.00 C ATOM 355 NE ARG B 5 1.867 6.860 6.131 1.00 0.00 N ATOM 356 CZ ARG B 5 1.384 6.408 7.256 1.00 0.00 C ATOM 357 NH1 ARG B 5 0.779 5.252 7.290 1.00 0.00 N ATOM 358 NH2 ARG B 5 1.501 7.115 8.346 1.00 0.00 N ATOM 0 H ARG B 5 5.462 8.326 3.987 1.00 0.00 H new ATOM 0 HA ARG B 5 6.272 8.442 6.879 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.070 7.873 7.088 1.00 0.00 H new ATOM 0 HB3 ARG B 5 3.903 8.203 5.375 1.00 0.00 H new ATOM 0 HG2 ARG B 5 4.848 5.686 5.150 1.00 0.00 H new ATOM 0 HG3 ARG B 5 4.204 5.542 6.774 1.00 0.00 H new ATOM 0 HD2 ARG B 5 2.679 6.300 4.233 1.00 0.00 H new ATOM 0 HD3 ARG B 5 2.365 4.950 5.305 1.00 0.00 H new ATOM 0 HE ARG B 5 1.665 7.816 5.838 1.00 0.00 H new ATOM 0 HH11 ARG B 5 0.683 4.701 6.437 1.00 0.00 H new ATOM 0 HH12 ARG B 5 0.402 4.899 8.170 1.00 0.00 H new ATOM 0 HH21 ARG B 5 1.970 8.021 8.319 1.00 0.00 H new ATOM 0 HH22 ARG B 5 1.124 6.762 9.226 1.00 0.00 H new ATOM 372 N PHE B 6 7.029 6.062 4.817 1.00 0.00 N ATOM 373 CA PHE B 6 7.848 4.825 4.694 1.00 0.00 C ATOM 374 C PHE B 6 9.339 5.141 4.837 1.00 0.00 C ATOM 375 O PHE B 6 10.027 4.564 5.655 1.00 0.00 O ATOM 376 CB PHE B 6 7.559 4.291 3.306 1.00 0.00 C ATOM 377 CG PHE B 6 8.325 3.029 3.087 1.00 0.00 C ATOM 378 CD1 PHE B 6 7.835 1.827 3.589 1.00 0.00 C ATOM 379 CD2 PHE B 6 9.520 3.062 2.374 1.00 0.00 C ATOM 380 CE1 PHE B 6 8.544 0.649 3.378 1.00 0.00 C ATOM 381 CE2 PHE B 6 10.233 1.888 2.161 1.00 0.00 C ATOM 382 CZ PHE B 6 9.747 0.674 2.663 1.00 0.00 C ATOM 0 H PHE B 6 6.684 6.438 3.934 1.00 0.00 H new ATOM 0 HA PHE B 6 7.603 4.104 5.473 1.00 0.00 H new ATOM 0 HB2 PHE B 6 6.491 4.105 3.192 1.00 0.00 H new ATOM 0 HB3 PHE B 6 7.836 5.031 2.555 1.00 0.00 H new ATOM 0 HD1 PHE B 6 6.907 1.809 4.141 1.00 0.00 H new ATOM 0 HD2 PHE B 6 9.893 3.999 1.987 1.00 0.00 H new ATOM 0 HE1 PHE B 6 8.166 -0.285 3.766 1.00 0.00 H new ATOM 0 HE2 PHE B 6 11.161 1.912 1.609 1.00 0.00 H new ATOM 0 HZ PHE B 6 10.299 -0.240 2.499 1.00 0.00 H new ATOM 392 N PHE B 7 9.851 6.044 4.041 1.00 0.00 N ATOM 393 CA PHE B 7 11.297 6.373 4.134 1.00 0.00 C ATOM 394 C PHE B 7 11.620 6.947 5.517 1.00 0.00 C ATOM 395 O PHE B 7 12.635 6.629 6.108 1.00 0.00 O ATOM 396 CB PHE B 7 11.557 7.388 3.005 1.00 0.00 C ATOM 397 CG PHE B 7 11.501 8.809 3.525 1.00 0.00 C ATOM 398 CD1 PHE B 7 12.541 9.305 4.319 1.00 0.00 C ATOM 399 CD2 PHE B 7 10.412 9.628 3.205 1.00 0.00 C ATOM 400 CE1 PHE B 7 12.493 10.620 4.796 1.00 0.00 C ATOM 401 CE2 PHE B 7 10.364 10.944 3.682 1.00 0.00 C ATOM 402 CZ PHE B 7 11.405 11.439 4.476 1.00 0.00 C ATOM 0 H PHE B 7 9.330 6.564 3.335 1.00 0.00 H new ATOM 0 HA PHE B 7 11.936 5.498 4.018 1.00 0.00 H new ATOM 0 HB2 PHE B 7 12.534 7.199 2.560 1.00 0.00 H new ATOM 0 HB3 PHE B 7 10.816 7.257 2.216 1.00 0.00 H new ATOM 0 HD1 PHE B 7 13.381 8.673 4.564 1.00 0.00 H new ATOM 0 HD2 PHE B 7 9.610 9.246 2.591 1.00 0.00 H new ATOM 0 HE1 PHE B 7 13.295 11.002 5.410 1.00 0.00 H new ATOM 0 HE2 PHE B 7 9.524 11.577 3.437 1.00 0.00 H new ATOM 0 HZ PHE B 7 11.368 12.454 4.842 1.00 0.00 H new ATOM 412 N LYS B 8 10.765 7.784 6.043 1.00 0.00 N ATOM 413 CA LYS B 8 11.027 8.361 7.388 1.00 0.00 C ATOM 414 C LYS B 8 11.526 7.267 8.324 1.00 0.00 C ATOM 415 O LYS B 8 12.556 7.397 8.955 1.00 0.00 O ATOM 416 CB LYS B 8 9.689 8.903 7.856 1.00 0.00 C ATOM 417 CG LYS B 8 9.786 10.419 8.034 1.00 0.00 C ATOM 418 CD LYS B 8 8.385 11.030 7.980 1.00 0.00 C ATOM 419 CE LYS B 8 8.360 12.154 6.944 1.00 0.00 C ATOM 420 NZ LYS B 8 8.070 13.388 7.724 1.00 0.00 N ATOM 0 H LYS B 8 9.900 8.091 5.598 1.00 0.00 H new ATOM 0 HA LYS B 8 11.788 9.141 7.369 1.00 0.00 H new ATOM 0 HB2 LYS B 8 8.913 8.660 7.130 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.404 8.433 8.797 1.00 0.00 H new ATOM 0 HG2 LYS B 8 10.260 10.654 8.987 1.00 0.00 H new ATOM 0 HG3 LYS B 8 10.412 10.848 7.252 1.00 0.00 H new ATOM 0 HD2 LYS B 8 7.653 10.265 7.721 1.00 0.00 H new ATOM 0 HD3 LYS B 8 8.108 11.418 8.960 1.00 0.00 H new ATOM 0 HE2 LYS B 8 9.314 12.232 6.422 1.00 0.00 H new ATOM 0 HE3 LYS B 8 7.596 11.977 6.187 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 8.037 14.205 7.081 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 7.153 13.288 8.204 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 8.817 13.535 8.432 1.00 0.00 H new ATOM 434 N ALA B 9 10.815 6.178 8.402 1.00 0.00 N ATOM 435 CA ALA B 9 11.262 5.071 9.271 1.00 0.00 C ATOM 436 C ALA B 9 12.500 4.438 8.649 1.00 0.00 C ATOM 437 O ALA B 9 13.495 4.223 9.303 1.00 0.00 O ATOM 438 CB ALA B 9 10.098 4.081 9.301 1.00 0.00 C ATOM 0 H ALA B 9 9.944 6.012 7.899 1.00 0.00 H new ATOM 0 HA ALA B 9 11.521 5.395 10.279 1.00 0.00 H new ATOM 0 HB1 ALA B 9 10.360 3.230 9.930 1.00 0.00 H new ATOM 0 HB2 ALA B 9 9.213 4.572 9.705 1.00 0.00 H new ATOM 0 HB3 ALA B 9 9.890 3.734 8.289 1.00 0.00 H new ATOM 444 N LYS B 10 12.447 4.163 7.374 1.00 0.00 N ATOM 445 CA LYS B 10 13.621 3.568 6.690 1.00 0.00 C ATOM 446 C LYS B 10 14.903 4.216 7.211 1.00 0.00 C ATOM 447 O LYS B 10 15.850 3.549 7.567 1.00 0.00 O ATOM 448 CB LYS B 10 13.405 3.892 5.222 1.00 0.00 C ATOM 449 CG LYS B 10 14.321 3.026 4.362 1.00 0.00 C ATOM 450 CD LYS B 10 13.477 2.166 3.421 1.00 0.00 C ATOM 451 CE LYS B 10 14.169 0.819 3.199 1.00 0.00 C ATOM 452 NZ LYS B 10 14.803 0.932 1.855 1.00 0.00 N ATOM 0 H LYS B 10 11.636 4.327 6.778 1.00 0.00 H new ATOM 0 HA LYS B 10 13.719 2.496 6.860 1.00 0.00 H new ATOM 0 HB2 LYS B 10 12.364 3.717 4.951 1.00 0.00 H new ATOM 0 HB3 LYS B 10 13.609 4.947 5.039 1.00 0.00 H new ATOM 0 HG2 LYS B 10 14.999 3.656 3.786 1.00 0.00 H new ATOM 0 HG3 LYS B 10 14.939 2.390 4.996 1.00 0.00 H new ATOM 0 HD2 LYS B 10 12.485 2.011 3.845 1.00 0.00 H new ATOM 0 HD3 LYS B 10 13.340 2.678 2.468 1.00 0.00 H new ATOM 0 HE2 LYS B 10 14.913 0.625 3.972 1.00 0.00 H new ATOM 0 HE3 LYS B 10 13.454 -0.003 3.231 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 15.299 0.046 1.629 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 14.070 1.111 1.139 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 15.484 1.718 1.857 1.00 0.00 H new ATOM 466 N LYS B 11 14.927 5.517 7.277 1.00 0.00 N ATOM 467 CA LYS B 11 16.136 6.211 7.788 1.00 0.00 C ATOM 468 C LYS B 11 16.604 5.575 9.100 1.00 0.00 C ATOM 469 O LYS B 11 17.784 5.543 9.390 1.00 0.00 O ATOM 470 CB LYS B 11 15.691 7.656 8.022 1.00 0.00 C ATOM 471 CG LYS B 11 16.170 8.532 6.863 1.00 0.00 C ATOM 472 CD LYS B 11 17.699 8.590 6.863 1.00 0.00 C ATOM 473 CE LYS B 11 18.160 9.867 7.565 1.00 0.00 C ATOM 474 NZ LYS B 11 19.152 10.478 6.638 1.00 0.00 N ATOM 0 H LYS B 11 14.160 6.129 6.998 1.00 0.00 H new ATOM 0 HA LYS B 11 16.972 6.146 7.092 1.00 0.00 H new ATOM 0 HB2 LYS B 11 14.605 7.705 8.104 1.00 0.00 H new ATOM 0 HB3 LYS B 11 16.098 8.025 8.963 1.00 0.00 H new ATOM 0 HG2 LYS B 11 15.811 8.129 5.916 1.00 0.00 H new ATOM 0 HG3 LYS B 11 15.758 9.536 6.958 1.00 0.00 H new ATOM 0 HD2 LYS B 11 18.107 7.716 7.370 1.00 0.00 H new ATOM 0 HD3 LYS B 11 18.074 8.569 5.840 1.00 0.00 H new ATOM 0 HE2 LYS B 11 17.323 10.541 7.748 1.00 0.00 H new ATOM 0 HE3 LYS B 11 18.609 9.645 8.533 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 19.515 11.361 7.051 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 19.940 9.816 6.488 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 18.695 10.684 5.727 1.00 0.00 H new ATOM 488 N LEU B 12 15.699 5.076 9.901 1.00 0.00 N ATOM 489 CA LEU B 12 16.118 4.463 11.182 1.00 0.00 C ATOM 490 C LEU B 12 16.755 3.089 10.942 1.00 0.00 C ATOM 491 O LEU B 12 17.287 2.479 11.848 1.00 0.00 O ATOM 492 CB LEU B 12 14.848 4.346 12.014 1.00 0.00 C ATOM 493 CG LEU B 12 14.038 3.140 11.564 1.00 0.00 C ATOM 494 CD1 LEU B 12 14.271 1.988 12.530 1.00 0.00 C ATOM 495 CD2 LEU B 12 12.568 3.528 11.564 1.00 0.00 C ATOM 0 H LEU B 12 14.695 5.069 9.719 1.00 0.00 H new ATOM 0 HA LEU B 12 16.871 5.063 11.692 1.00 0.00 H new ATOM 0 HB2 LEU B 12 15.103 4.249 13.069 1.00 0.00 H new ATOM 0 HB3 LEU B 12 14.252 5.253 11.912 1.00 0.00 H new ATOM 0 HG LEU B 12 14.340 2.828 10.564 1.00 0.00 H new ATOM 0 HD11 LEU B 12 13.692 1.122 12.210 1.00 0.00 H new ATOM 0 HD12 LEU B 12 15.330 1.732 12.542 1.00 0.00 H new ATOM 0 HD13 LEU B 12 13.958 2.284 13.531 1.00 0.00 H new ATOM 0 HD21 LEU B 12 11.967 2.677 11.244 1.00 0.00 H new ATOM 0 HD22 LEU B 12 12.270 3.825 12.570 1.00 0.00 H new ATOM 0 HD23 LEU B 12 12.412 4.361 10.878 1.00 0.00 H new ATOM 507 N ILE B 13 16.715 2.600 9.729 1.00 0.00 N ATOM 508 CA ILE B 13 17.333 1.267 9.451 1.00 0.00 C ATOM 509 C ILE B 13 18.060 1.273 8.114 1.00 0.00 C ATOM 510 O ILE B 13 17.927 0.373 7.308 1.00 0.00 O ATOM 511 CB ILE B 13 16.192 0.242 9.444 1.00 0.00 C ATOM 512 CG1 ILE B 13 14.906 0.867 8.908 1.00 0.00 C ATOM 513 CG2 ILE B 13 15.952 -0.270 10.864 1.00 0.00 C ATOM 514 CD1 ILE B 13 14.274 -0.067 7.878 1.00 0.00 C ATOM 0 H ILE B 13 16.286 3.060 8.926 1.00 0.00 H new ATOM 0 HA ILE B 13 18.074 1.019 10.211 1.00 0.00 H new ATOM 0 HB ILE B 13 16.477 -0.586 8.795 1.00 0.00 H new ATOM 0 HG12 ILE B 13 14.209 1.048 9.726 1.00 0.00 H new ATOM 0 HG13 ILE B 13 15.121 1.834 8.453 1.00 0.00 H new ATOM 0 HG21 ILE B 13 15.141 -0.998 10.856 1.00 0.00 H new ATOM 0 HG22 ILE B 13 16.860 -0.742 11.239 1.00 0.00 H new ATOM 0 HG23 ILE B 13 15.684 0.565 11.511 1.00 0.00 H new ATOM 0 HD11 ILE B 13 13.356 0.380 7.496 1.00 0.00 H new ATOM 0 HD12 ILE B 13 14.970 -0.225 7.055 1.00 0.00 H new ATOM 0 HD13 ILE B 13 14.044 -1.024 8.347 1.00 0.00 H new ATOM 526 N GLU B 14 18.824 2.290 7.881 1.00 0.00 N ATOM 527 CA GLU B 14 19.570 2.399 6.619 1.00 0.00 C ATOM 528 C GLU B 14 21.053 2.673 6.889 1.00 0.00 C ATOM 529 O GLU B 14 21.613 2.007 7.744 1.00 0.00 O ATOM 530 CB GLU B 14 18.911 3.581 5.944 1.00 0.00 C ATOM 531 CG GLU B 14 17.467 3.214 5.638 1.00 0.00 C ATOM 532 CD GLU B 14 17.354 2.728 4.193 1.00 0.00 C ATOM 533 OE1 GLU B 14 17.600 1.555 3.961 1.00 0.00 O ATOM 534 OE2 GLU B 14 17.027 3.538 3.341 1.00 0.00 O ATOM 535 OXT GLU B 14 21.603 3.544 6.235 1.00 0.00 O ATOM 0 H GLU B 14 18.964 3.066 8.529 1.00 0.00 H new ATOM 0 HA GLU B 14 19.545 1.491 6.016 1.00 0.00 H new ATOM 0 HB2 GLU B 14 18.951 4.458 6.590 1.00 0.00 H new ATOM 0 HB3 GLU B 14 19.440 3.837 5.026 1.00 0.00 H new ATOM 0 HG2 GLU B 14 17.127 2.436 6.321 1.00 0.00 H new ATOM 0 HG3 GLU B 14 16.821 4.078 5.793 1.00 0.00 H new ATOM 543 N CYS C 1 21.464 -9.103 7.685 1.00 0.00 N ATOM 544 CA CYS C 1 21.371 -8.010 8.697 1.00 0.00 C ATOM 545 C CYS C 1 20.300 -7.017 8.307 1.00 0.00 C ATOM 546 O CYS C 1 20.534 -5.828 8.228 1.00 0.00 O ATOM 547 CB CYS C 1 22.752 -7.354 8.714 1.00 0.00 C ATOM 548 SG CYS C 1 22.997 -6.421 7.182 1.00 0.00 S ATOM 0 H1 CYS C 1 21.979 -9.910 8.092 1.00 0.00 H new ATOM 0 H2 CYS C 1 20.507 -9.405 7.411 1.00 0.00 H new ATOM 0 H3 CYS C 1 21.971 -8.757 6.846 1.00 0.00 H new ATOM 0 HA CYS C 1 21.097 -8.387 9.682 1.00 0.00 H new ATOM 0 HB2 CYS C 1 22.840 -6.691 9.574 1.00 0.00 H new ATOM 0 HB3 CYS C 1 23.526 -8.114 8.817 1.00 0.00 H new ATOM 0 HG CYS C 1 24.170 -5.861 7.198 1.00 0.00 H new ATOM 555 N TYR C 2 19.112 -7.492 8.097 1.00 0.00 N ATOM 556 CA TYR C 2 18.018 -6.592 7.757 1.00 0.00 C ATOM 557 C TYR C 2 16.719 -7.298 8.062 1.00 0.00 C ATOM 558 O TYR C 2 16.671 -8.140 8.923 1.00 0.00 O ATOM 559 CB TYR C 2 18.181 -6.292 6.272 1.00 0.00 C ATOM 560 CG TYR C 2 17.728 -4.887 6.050 1.00 0.00 C ATOM 561 CD1 TYR C 2 18.182 -3.894 6.910 1.00 0.00 C ATOM 562 CD2 TYR C 2 16.839 -4.579 5.021 1.00 0.00 C ATOM 563 CE1 TYR C 2 17.760 -2.588 6.752 1.00 0.00 C ATOM 564 CE2 TYR C 2 16.406 -3.264 4.855 1.00 0.00 C ATOM 565 CZ TYR C 2 16.865 -2.260 5.723 1.00 0.00 C ATOM 566 OH TYR C 2 16.438 -0.958 5.564 1.00 0.00 O ATOM 0 H TYR C 2 18.862 -8.479 8.150 1.00 0.00 H new ATOM 0 HA TYR C 2 18.021 -5.660 8.322 1.00 0.00 H new ATOM 0 HB2 TYR C 2 19.221 -6.413 5.967 1.00 0.00 H new ATOM 0 HB3 TYR C 2 17.591 -6.985 5.673 1.00 0.00 H new ATOM 0 HD1 TYR C 2 18.868 -4.145 7.706 1.00 0.00 H new ATOM 0 HD2 TYR C 2 16.488 -5.354 4.356 1.00 0.00 H new ATOM 0 HE1 TYR C 2 18.119 -1.820 7.421 1.00 0.00 H new ATOM 0 HE2 TYR C 2 15.718 -3.018 4.060 1.00 0.00 H new ATOM 0 HH TYR C 2 17.104 -0.347 5.943 1.00 0.00 H new ATOM 576 N LEU C 3 15.677 -6.964 7.381 1.00 0.00 N ATOM 577 CA LEU C 3 14.374 -7.608 7.651 1.00 0.00 C ATOM 578 C LEU C 3 14.005 -7.367 9.107 1.00 0.00 C ATOM 579 O LEU C 3 13.211 -6.522 9.430 1.00 0.00 O ATOM 580 CB LEU C 3 14.588 -9.089 7.379 1.00 0.00 C ATOM 581 CG LEU C 3 14.795 -9.313 5.894 1.00 0.00 C ATOM 582 CD1 LEU C 3 16.122 -8.714 5.454 1.00 0.00 C ATOM 583 CD2 LEU C 3 14.796 -10.807 5.592 1.00 0.00 C ATOM 0 H LEU C 3 15.668 -6.264 6.639 1.00 0.00 H new ATOM 0 HA LEU C 3 13.566 -7.215 7.034 1.00 0.00 H new ATOM 0 HB2 LEU C 3 15.454 -9.449 7.935 1.00 0.00 H new ATOM 0 HB3 LEU C 3 13.727 -9.660 7.726 1.00 0.00 H new ATOM 0 HG LEU C 3 13.983 -8.829 5.351 1.00 0.00 H new ATOM 0 HD11 LEU C 3 16.260 -8.881 4.386 1.00 0.00 H new ATOM 0 HD12 LEU C 3 16.123 -7.643 5.657 1.00 0.00 H new ATOM 0 HD13 LEU C 3 16.935 -9.188 6.003 1.00 0.00 H new ATOM 0 HD21 LEU C 3 14.945 -10.962 4.523 1.00 0.00 H new ATOM 0 HD22 LEU C 3 15.602 -11.289 6.145 1.00 0.00 H new ATOM 0 HD23 LEU C 3 13.841 -11.239 5.892 1.00 0.00 H new ATOM 595 N ARG C 4 14.594 -8.095 9.991 1.00 0.00 N ATOM 596 CA ARG C 4 14.282 -7.884 11.431 1.00 0.00 C ATOM 597 C ARG C 4 14.285 -6.385 11.744 1.00 0.00 C ATOM 598 O ARG C 4 13.332 -5.855 12.279 1.00 0.00 O ATOM 599 CB ARG C 4 15.355 -8.601 12.289 1.00 0.00 C ATOM 600 CG ARG C 4 16.584 -9.079 11.483 1.00 0.00 C ATOM 601 CD ARG C 4 17.668 -7.993 11.428 1.00 0.00 C ATOM 602 NE ARG C 4 17.664 -7.337 12.766 1.00 0.00 N ATOM 603 CZ ARG C 4 18.230 -7.927 13.784 1.00 0.00 C ATOM 604 NH1 ARG C 4 17.701 -9.008 14.290 1.00 0.00 N ATOM 605 NH2 ARG C 4 19.327 -7.436 14.294 1.00 0.00 N ATOM 0 H ARG C 4 15.276 -8.826 9.791 1.00 0.00 H new ATOM 0 HA ARG C 4 13.297 -8.292 11.659 1.00 0.00 H new ATOM 0 HB2 ARG C 4 15.689 -7.924 13.075 1.00 0.00 H new ATOM 0 HB3 ARG C 4 14.899 -9.460 12.781 1.00 0.00 H new ATOM 0 HG2 ARG C 4 16.992 -9.981 11.938 1.00 0.00 H new ATOM 0 HG3 ARG C 4 16.278 -9.343 10.471 1.00 0.00 H new ATOM 0 HD2 ARG C 4 18.644 -8.427 11.210 1.00 0.00 H new ATOM 0 HD3 ARG C 4 17.457 -7.271 10.639 1.00 0.00 H new ATOM 0 HE ARG C 4 17.219 -6.427 12.887 1.00 0.00 H new ATOM 0 HH11 ARG C 4 16.845 -9.392 13.890 1.00 0.00 H new ATOM 0 HH12 ARG C 4 18.144 -9.468 15.085 1.00 0.00 H new ATOM 0 HH21 ARG C 4 19.741 -6.592 13.897 1.00 0.00 H new ATOM 0 HH22 ARG C 4 19.770 -7.896 15.089 1.00 0.00 H new ATOM 619 N ARG C 5 15.343 -5.693 11.416 1.00 0.00 N ATOM 620 CA ARG C 5 15.383 -4.229 11.702 1.00 0.00 C ATOM 621 C ARG C 5 14.631 -3.460 10.617 1.00 0.00 C ATOM 622 O ARG C 5 14.201 -2.341 10.816 1.00 0.00 O ATOM 623 CB ARG C 5 16.863 -3.865 11.694 1.00 0.00 C ATOM 624 CG ARG C 5 17.413 -3.973 10.273 1.00 0.00 C ATOM 625 CD ARG C 5 18.911 -4.272 10.341 1.00 0.00 C ATOM 626 NE ARG C 5 19.555 -2.950 10.575 1.00 0.00 N ATOM 627 CZ ARG C 5 20.856 -2.853 10.617 1.00 0.00 C ATOM 628 NH1 ARG C 5 21.593 -3.930 10.622 1.00 0.00 N ATOM 629 NH2 ARG C 5 21.420 -1.677 10.653 1.00 0.00 N ATOM 0 H ARG C 5 16.175 -6.074 10.966 1.00 0.00 H new ATOM 0 HA ARG C 5 14.910 -3.979 12.652 1.00 0.00 H new ATOM 0 HB2 ARG C 5 17.000 -2.852 12.071 1.00 0.00 H new ATOM 0 HB3 ARG C 5 17.414 -4.530 12.359 1.00 0.00 H new ATOM 0 HG2 ARG C 5 16.896 -4.763 9.728 1.00 0.00 H new ATOM 0 HG3 ARG C 5 17.239 -3.044 9.730 1.00 0.00 H new ATOM 0 HD2 ARG C 5 19.138 -4.970 11.146 1.00 0.00 H new ATOM 0 HD3 ARG C 5 19.266 -4.726 9.416 1.00 0.00 H new ATOM 0 HE ARG C 5 18.978 -2.118 10.703 1.00 0.00 H new ATOM 0 HH11 ARG C 5 21.153 -4.850 10.593 1.00 0.00 H new ATOM 0 HH12 ARG C 5 22.610 -3.852 10.655 1.00 0.00 H new ATOM 0 HH21 ARG C 5 20.844 -0.835 10.648 1.00 0.00 H new ATOM 0 HH22 ARG C 5 22.437 -1.600 10.686 1.00 0.00 H new ATOM 643 N PHE C 6 14.470 -4.054 9.471 1.00 0.00 N ATOM 644 CA PHE C 6 13.746 -3.369 8.367 1.00 0.00 C ATOM 645 C PHE C 6 12.243 -3.631 8.488 1.00 0.00 C ATOM 646 O PHE C 6 11.439 -2.719 8.501 1.00 0.00 O ATOM 647 CB PHE C 6 14.320 -3.993 7.107 1.00 0.00 C ATOM 648 CG PHE C 6 13.368 -3.862 5.967 1.00 0.00 C ATOM 649 CD1 PHE C 6 12.412 -4.851 5.755 1.00 0.00 C ATOM 650 CD2 PHE C 6 13.453 -2.765 5.117 1.00 0.00 C ATOM 651 CE1 PHE C 6 11.531 -4.744 4.682 1.00 0.00 C ATOM 652 CE2 PHE C 6 12.573 -2.650 4.043 1.00 0.00 C ATOM 653 CZ PHE C 6 11.609 -3.641 3.821 1.00 0.00 C ATOM 0 H PHE C 6 14.810 -4.990 9.250 1.00 0.00 H new ATOM 0 HA PHE C 6 13.868 -2.286 8.376 1.00 0.00 H new ATOM 0 HB2 PHE C 6 15.264 -3.510 6.855 1.00 0.00 H new ATOM 0 HB3 PHE C 6 14.538 -5.046 7.285 1.00 0.00 H new ATOM 0 HD1 PHE C 6 12.354 -5.699 6.421 1.00 0.00 H new ATOM 0 HD2 PHE C 6 14.200 -2.004 5.289 1.00 0.00 H new ATOM 0 HE1 PHE C 6 10.789 -5.510 4.514 1.00 0.00 H new ATOM 0 HE2 PHE C 6 12.634 -1.798 3.383 1.00 0.00 H new ATOM 0 HZ PHE C 6 10.927 -3.556 2.988 1.00 0.00 H new ATOM 663 N PHE C 7 11.863 -4.872 8.597 1.00 0.00 N ATOM 664 CA PHE C 7 10.433 -5.208 8.739 1.00 0.00 C ATOM 665 C PHE C 7 9.862 -4.493 9.960 1.00 0.00 C ATOM 666 O PHE C 7 8.781 -3.939 9.921 1.00 0.00 O ATOM 667 CB PHE C 7 10.410 -6.714 8.927 1.00 0.00 C ATOM 668 CG PHE C 7 9.363 -7.313 8.028 1.00 0.00 C ATOM 669 CD1 PHE C 7 8.065 -6.794 8.027 1.00 0.00 C ATOM 670 CD2 PHE C 7 9.692 -8.387 7.196 1.00 0.00 C ATOM 671 CE1 PHE C 7 7.093 -7.350 7.191 1.00 0.00 C ATOM 672 CE2 PHE C 7 8.720 -8.944 6.360 1.00 0.00 C ATOM 673 CZ PHE C 7 7.419 -8.427 6.357 1.00 0.00 C ATOM 0 H PHE C 7 12.495 -5.673 8.593 1.00 0.00 H new ATOM 0 HA PHE C 7 9.833 -4.902 7.882 1.00 0.00 H new ATOM 0 HB2 PHE C 7 11.388 -7.136 8.696 1.00 0.00 H new ATOM 0 HB3 PHE C 7 10.195 -6.959 9.967 1.00 0.00 H new ATOM 0 HD1 PHE C 7 7.814 -5.965 8.671 1.00 0.00 H new ATOM 0 HD2 PHE C 7 10.696 -8.786 7.199 1.00 0.00 H new ATOM 0 HE1 PHE C 7 6.090 -6.949 7.188 1.00 0.00 H new ATOM 0 HE2 PHE C 7 8.973 -9.773 5.716 1.00 0.00 H new ATOM 0 HZ PHE C 7 6.667 -8.858 5.712 1.00 0.00 H new ATOM 683 N LYS C 8 10.593 -4.485 11.041 1.00 0.00 N ATOM 684 CA LYS C 8 10.105 -3.789 12.256 1.00 0.00 C ATOM 685 C LYS C 8 9.555 -2.422 11.860 1.00 0.00 C ATOM 686 O LYS C 8 8.639 -1.902 12.465 1.00 0.00 O ATOM 687 CB LYS C 8 11.332 -3.653 13.146 1.00 0.00 C ATOM 688 CG LYS C 8 11.404 -4.843 14.104 1.00 0.00 C ATOM 689 CD LYS C 8 10.727 -4.481 15.428 1.00 0.00 C ATOM 690 CE LYS C 8 9.416 -5.259 15.560 1.00 0.00 C ATOM 691 NZ LYS C 8 9.500 -5.934 16.886 1.00 0.00 N ATOM 0 H LYS C 8 11.506 -4.931 11.131 1.00 0.00 H new ATOM 0 HA LYS C 8 9.304 -4.323 12.767 1.00 0.00 H new ATOM 0 HB2 LYS C 8 12.234 -3.609 12.535 1.00 0.00 H new ATOM 0 HB3 LYS C 8 11.284 -2.721 13.710 1.00 0.00 H new ATOM 0 HG2 LYS C 8 10.915 -5.710 13.660 1.00 0.00 H new ATOM 0 HG3 LYS C 8 12.444 -5.119 14.280 1.00 0.00 H new ATOM 0 HD2 LYS C 8 11.387 -4.716 16.263 1.00 0.00 H new ATOM 0 HD3 LYS C 8 10.532 -3.409 15.468 1.00 0.00 H new ATOM 0 HE2 LYS C 8 8.555 -4.593 15.510 1.00 0.00 H new ATOM 0 HE3 LYS C 8 9.305 -5.984 14.754 1.00 0.00 H new ATOM 0 HZ1 LYS C 8 8.635 -6.488 17.049 1.00 0.00 H new ATOM 0 HZ2 LYS C 8 10.325 -6.567 16.902 1.00 0.00 H new ATOM 0 HZ3 LYS C 8 9.598 -5.218 17.634 1.00 0.00 H new ATOM 705 N ALA C 9 10.103 -1.849 10.824 1.00 0.00 N ATOM 706 CA ALA C 9 9.621 -0.533 10.349 1.00 0.00 C ATOM 707 C ALA C 9 8.480 -0.749 9.359 1.00 0.00 C ATOM 708 O ALA C 9 7.500 -0.032 9.353 1.00 0.00 O ATOM 709 CB ALA C 9 10.824 0.114 9.662 1.00 0.00 C ATOM 0 H ALA C 9 10.872 -2.245 10.284 1.00 0.00 H new ATOM 0 HA ALA C 9 9.243 0.097 11.154 1.00 0.00 H new ATOM 0 HB1 ALA C 9 10.542 1.096 9.283 1.00 0.00 H new ATOM 0 HB2 ALA C 9 11.638 0.222 10.379 1.00 0.00 H new ATOM 0 HB3 ALA C 9 11.151 -0.514 8.834 1.00 0.00 H new ATOM 715 N LYS C 10 8.596 -1.750 8.527 1.00 0.00 N ATOM 716 CA LYS C 10 7.520 -2.031 7.550 1.00 0.00 C ATOM 717 C LYS C 10 6.183 -2.138 8.277 1.00 0.00 C ATOM 718 O LYS C 10 5.204 -1.538 7.884 1.00 0.00 O ATOM 719 CB LYS C 10 7.903 -3.360 6.922 1.00 0.00 C ATOM 720 CG LYS C 10 7.212 -3.510 5.566 1.00 0.00 C ATOM 721 CD LYS C 10 8.010 -2.753 4.505 1.00 0.00 C ATOM 722 CE LYS C 10 7.163 -2.600 3.239 1.00 0.00 C ATOM 723 NZ LYS C 10 7.646 -3.670 2.321 1.00 0.00 N ATOM 0 H LYS C 10 9.395 -2.383 8.487 1.00 0.00 H new ATOM 0 HA LYS C 10 7.413 -1.247 6.800 1.00 0.00 H new ATOM 0 HB2 LYS C 10 8.984 -3.416 6.798 1.00 0.00 H new ATOM 0 HB3 LYS C 10 7.615 -4.180 7.580 1.00 0.00 H new ATOM 0 HG2 LYS C 10 7.137 -4.564 5.298 1.00 0.00 H new ATOM 0 HG3 LYS C 10 6.195 -3.121 5.618 1.00 0.00 H new ATOM 0 HD2 LYS C 10 8.298 -1.772 4.883 1.00 0.00 H new ATOM 0 HD3 LYS C 10 8.931 -3.289 4.276 1.00 0.00 H new ATOM 0 HE2 LYS C 10 6.102 -2.717 3.458 1.00 0.00 H new ATOM 0 HE3 LYS C 10 7.290 -1.612 2.796 1.00 0.00 H new ATOM 0 HZ1 LYS C 10 7.112 -3.630 1.429 1.00 0.00 H new ATOM 0 HZ2 LYS C 10 8.658 -3.529 2.125 1.00 0.00 H new ATOM 0 HZ3 LYS C 10 7.506 -4.599 2.767 1.00 0.00 H new ATOM 737 N LYS C 11 6.132 -2.887 9.346 1.00 0.00 N ATOM 738 CA LYS C 11 4.855 -3.011 10.094 1.00 0.00 C ATOM 739 C LYS C 11 4.241 -1.624 10.279 1.00 0.00 C ATOM 740 O LYS C 11 3.041 -1.447 10.215 1.00 0.00 O ATOM 741 CB LYS C 11 5.236 -3.622 11.443 1.00 0.00 C ATOM 742 CG LYS C 11 4.551 -4.981 11.602 1.00 0.00 C ATOM 743 CD LYS C 11 3.048 -4.824 11.368 1.00 0.00 C ATOM 744 CE LYS C 11 2.305 -6.007 11.994 1.00 0.00 C ATOM 745 NZ LYS C 11 0.881 -5.821 11.594 1.00 0.00 N ATOM 0 H LYS C 11 6.917 -3.414 9.729 1.00 0.00 H new ATOM 0 HA LYS C 11 4.120 -3.626 9.575 1.00 0.00 H new ATOM 0 HB2 LYS C 11 6.318 -3.739 11.508 1.00 0.00 H new ATOM 0 HB3 LYS C 11 4.938 -2.956 12.253 1.00 0.00 H new ATOM 0 HG2 LYS C 11 4.968 -5.696 10.892 1.00 0.00 H new ATOM 0 HG3 LYS C 11 4.735 -5.379 12.600 1.00 0.00 H new ATOM 0 HD2 LYS C 11 2.697 -3.889 11.805 1.00 0.00 H new ATOM 0 HD3 LYS C 11 2.839 -4.775 10.299 1.00 0.00 H new ATOM 0 HE2 LYS C 11 2.697 -6.957 11.630 1.00 0.00 H new ATOM 0 HE3 LYS C 11 2.413 -6.012 13.079 1.00 0.00 H new ATOM 0 HZ1 LYS C 11 0.306 -6.594 11.986 1.00 0.00 H new ATOM 0 HZ2 LYS C 11 0.534 -4.912 11.960 1.00 0.00 H new ATOM 0 HZ3 LYS C 11 0.808 -5.827 10.557 1.00 0.00 H new ATOM 759 N LEU C 12 5.063 -0.635 10.506 1.00 0.00 N ATOM 760 CA LEU C 12 4.545 0.743 10.693 1.00 0.00 C ATOM 761 C LEU C 12 3.835 1.220 9.424 1.00 0.00 C ATOM 762 O LEU C 12 3.147 2.221 9.425 1.00 0.00 O ATOM 763 CB LEU C 12 5.782 1.597 10.972 1.00 0.00 C ATOM 764 CG LEU C 12 6.552 1.011 12.158 1.00 0.00 C ATOM 765 CD1 LEU C 12 7.592 2.023 12.644 1.00 0.00 C ATOM 766 CD2 LEU C 12 5.578 0.699 13.296 1.00 0.00 C ATOM 0 H LEU C 12 6.077 -0.727 10.570 1.00 0.00 H new ATOM 0 HA LEU C 12 3.818 0.804 11.503 1.00 0.00 H new ATOM 0 HB2 LEU C 12 6.421 1.628 10.090 1.00 0.00 H new ATOM 0 HB3 LEU C 12 5.487 2.624 11.188 1.00 0.00 H new ATOM 0 HG LEU C 12 7.054 0.095 11.846 1.00 0.00 H new ATOM 0 HD11 LEU C 12 8.140 1.605 13.489 1.00 0.00 H new ATOM 0 HD12 LEU C 12 8.288 2.247 11.835 1.00 0.00 H new ATOM 0 HD13 LEU C 12 7.090 2.939 12.955 1.00 0.00 H new ATOM 0 HD21 LEU C 12 6.127 0.282 14.140 1.00 0.00 H new ATOM 0 HD22 LEU C 12 5.076 1.615 13.607 1.00 0.00 H new ATOM 0 HD23 LEU C 12 4.837 -0.023 12.953 1.00 0.00 H new ATOM 778 N ILE C 13 3.988 0.507 8.340 1.00 0.00 N ATOM 779 CA ILE C 13 3.309 0.922 7.075 1.00 0.00 C ATOM 780 C ILE C 13 2.726 -0.282 6.360 1.00 0.00 C ATOM 781 O ILE C 13 2.832 -0.430 5.159 1.00 0.00 O ATOM 782 CB ILE C 13 4.365 1.602 6.206 1.00 0.00 C ATOM 783 CG1 ILE C 13 5.697 0.855 6.289 1.00 0.00 C ATOM 784 CG2 ILE C 13 4.563 3.044 6.676 1.00 0.00 C ATOM 785 CD1 ILE C 13 5.762 -0.199 5.181 1.00 0.00 C ATOM 0 H ILE C 13 4.551 -0.341 8.274 1.00 0.00 H new ATOM 0 HA ILE C 13 2.483 1.601 7.285 1.00 0.00 H new ATOM 0 HB ILE C 13 4.022 1.592 5.172 1.00 0.00 H new ATOM 0 HG12 ILE C 13 6.526 1.556 6.188 1.00 0.00 H new ATOM 0 HG13 ILE C 13 5.799 0.379 7.264 1.00 0.00 H new ATOM 0 HG21 ILE C 13 5.317 3.529 6.055 1.00 0.00 H new ATOM 0 HG22 ILE C 13 3.621 3.586 6.593 1.00 0.00 H new ATOM 0 HG23 ILE C 13 4.892 3.046 7.715 1.00 0.00 H new ATOM 0 HD11 ILE C 13 6.711 -0.731 5.240 1.00 0.00 H new ATOM 0 HD12 ILE C 13 4.941 -0.906 5.303 1.00 0.00 H new ATOM 0 HD13 ILE C 13 5.680 0.289 4.210 1.00 0.00 H new ATOM 797 N GLU C 14 2.124 -1.143 7.103 1.00 0.00 N ATOM 798 CA GLU C 14 1.532 -2.356 6.520 1.00 0.00 C ATOM 799 C GLU C 14 0.063 -2.498 6.935 1.00 0.00 C ATOM 800 O GLU C 14 -0.318 -1.879 7.915 1.00 0.00 O ATOM 801 CB GLU C 14 2.383 -3.454 7.120 1.00 0.00 C ATOM 802 CG GLU C 14 3.813 -3.280 6.625 1.00 0.00 C ATOM 803 CD GLU C 14 4.070 -4.221 5.446 1.00 0.00 C ATOM 804 OE1 GLU C 14 3.815 -5.405 5.592 1.00 0.00 O ATOM 805 OE2 GLU C 14 4.520 -3.742 4.418 1.00 0.00 O ATOM 806 OXT GLU C 14 -0.654 -3.221 6.264 1.00 0.00 O ATOM 0 H GLU C 14 2.014 -1.056 8.113 1.00 0.00 H new ATOM 0 HA GLU C 14 1.525 -2.363 5.430 1.00 0.00 H new ATOM 0 HB2 GLU C 14 2.350 -3.407 8.208 1.00 0.00 H new ATOM 0 HB3 GLU C 14 1.998 -4.432 6.832 1.00 0.00 H new ATOM 0 HG2 GLU C 14 3.979 -2.247 6.321 1.00 0.00 H new ATOM 0 HG3 GLU C 14 4.515 -3.492 7.431 1.00 0.00 H new ATOM 826 N TYR D 2 23.739 -4.866 2.177 1.00 0.00 N ATOM 827 CA TYR D 2 23.505 -3.799 1.186 1.00 0.00 C ATOM 828 C TYR D 2 22.757 -4.433 0.014 1.00 0.00 C ATOM 829 O TYR D 2 21.898 -3.830 -0.596 1.00 0.00 O ATOM 830 CB TYR D 2 24.911 -3.278 0.811 1.00 0.00 C ATOM 831 CG TYR D 2 25.320 -3.800 -0.540 1.00 0.00 C ATOM 832 CD1 TYR D 2 24.616 -3.403 -1.679 1.00 0.00 C ATOM 833 CD2 TYR D 2 26.378 -4.699 -0.645 1.00 0.00 C ATOM 834 CE1 TYR D 2 24.967 -3.906 -2.925 1.00 0.00 C ATOM 835 CE2 TYR D 2 26.741 -5.202 -1.891 1.00 0.00 C ATOM 836 CZ TYR D 2 26.034 -4.809 -3.038 1.00 0.00 C ATOM 837 OH TYR D 2 26.388 -5.311 -4.275 1.00 0.00 O ATOM 0 HA TYR D 2 22.901 -2.963 1.538 1.00 0.00 H new ATOM 0 HB2 TYR D 2 24.912 -2.188 0.802 1.00 0.00 H new ATOM 0 HB3 TYR D 2 25.635 -3.591 1.563 1.00 0.00 H new ATOM 0 HD1 TYR D 2 23.798 -2.704 -1.591 1.00 0.00 H new ATOM 0 HD2 TYR D 2 26.916 -5.006 0.240 1.00 0.00 H new ATOM 0 HE1 TYR D 2 24.419 -3.602 -3.805 1.00 0.00 H new ATOM 0 HE2 TYR D 2 27.566 -5.894 -1.975 1.00 0.00 H new ATOM 0 HH TYR D 2 27.148 -5.922 -4.175 1.00 0.00 H new ATOM 847 N LEU D 3 23.058 -5.672 -0.274 1.00 0.00 N ATOM 848 CA LEU D 3 22.343 -6.371 -1.370 1.00 0.00 C ATOM 849 C LEU D 3 20.852 -6.123 -1.203 1.00 0.00 C ATOM 850 O LEU D 3 20.189 -5.606 -2.079 1.00 0.00 O ATOM 851 CB LEU D 3 22.654 -7.845 -1.166 1.00 0.00 C ATOM 852 CG LEU D 3 23.855 -8.243 -1.995 1.00 0.00 C ATOM 853 CD1 LEU D 3 25.058 -7.399 -1.584 1.00 0.00 C ATOM 854 CD2 LEU D 3 24.165 -9.719 -1.760 1.00 0.00 C ATOM 0 H LEU D 3 23.768 -6.226 0.205 1.00 0.00 H new ATOM 0 HA LEU D 3 22.640 -6.032 -2.363 1.00 0.00 H new ATOM 0 HB2 LEU D 3 22.849 -8.041 -0.112 1.00 0.00 H new ATOM 0 HB3 LEU D 3 21.792 -8.449 -1.448 1.00 0.00 H new ATOM 0 HG LEU D 3 23.640 -8.079 -3.051 1.00 0.00 H new ATOM 0 HD11 LEU D 3 25.924 -7.685 -2.181 1.00 0.00 H new ATOM 0 HD12 LEU D 3 24.836 -6.345 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU D 3 25.274 -7.564 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU D 3 25.030 -10.008 -2.356 1.00 0.00 H new ATOM 0 HD22 LEU D 3 24.381 -9.882 -0.704 1.00 0.00 H new ATOM 0 HD23 LEU D 3 23.305 -10.322 -2.051 1.00 0.00 H new ATOM 866 N ARG D 4 20.327 -6.480 -0.064 1.00 0.00 N ATOM 867 CA ARG D 4 18.879 -6.252 0.176 1.00 0.00 C ATOM 868 C ARG D 4 18.541 -4.790 -0.104 1.00 0.00 C ATOM 869 O ARG D 4 17.401 -4.446 -0.328 1.00 0.00 O ATOM 870 CB ARG D 4 18.588 -6.617 1.645 1.00 0.00 C ATOM 871 CG ARG D 4 19.804 -6.394 2.556 1.00 0.00 C ATOM 872 CD ARG D 4 20.443 -5.040 2.260 1.00 0.00 C ATOM 873 NE ARG D 4 21.187 -4.683 3.499 1.00 0.00 N ATOM 874 CZ ARG D 4 20.643 -3.897 4.386 1.00 0.00 C ATOM 875 NH1 ARG D 4 19.915 -2.883 4.003 1.00 0.00 N ATOM 876 NH2 ARG D 4 20.830 -4.122 5.658 1.00 0.00 N ATOM 0 H ARG D 4 20.836 -6.917 0.705 1.00 0.00 H new ATOM 0 HA ARG D 4 18.267 -6.867 -0.483 1.00 0.00 H new ATOM 0 HB2 ARG D 4 17.752 -6.018 2.006 1.00 0.00 H new ATOM 0 HB3 ARG D 4 18.281 -7.661 1.703 1.00 0.00 H new ATOM 0 HG2 ARG D 4 19.498 -6.439 3.601 1.00 0.00 H new ATOM 0 HG3 ARG D 4 20.533 -7.190 2.403 1.00 0.00 H new ATOM 0 HD2 ARG D 4 21.112 -5.099 1.402 1.00 0.00 H new ATOM 0 HD3 ARG D 4 19.687 -4.291 2.024 1.00 0.00 H new ATOM 0 HE ARG D 4 22.124 -5.054 3.654 1.00 0.00 H new ATOM 0 HH11 ARG D 4 19.771 -2.705 3.009 1.00 0.00 H new ATOM 0 HH12 ARG D 4 19.490 -2.269 4.698 1.00 0.00 H new ATOM 0 HH21 ARG D 4 21.401 -4.912 5.958 1.00 0.00 H new ATOM 0 HH22 ARG D 4 20.405 -3.508 6.352 1.00 0.00 H new ATOM 890 N ARG D 5 19.519 -3.924 -0.108 1.00 0.00 N ATOM 891 CA ARG D 5 19.223 -2.491 -0.398 1.00 0.00 C ATOM 892 C ARG D 5 19.365 -2.211 -1.896 1.00 0.00 C ATOM 893 O ARG D 5 18.895 -1.211 -2.399 1.00 0.00 O ATOM 894 CB ARG D 5 20.232 -1.681 0.435 1.00 0.00 C ATOM 895 CG ARG D 5 21.368 -1.142 -0.448 1.00 0.00 C ATOM 896 CD ARG D 5 22.613 -0.907 0.404 1.00 0.00 C ATOM 897 NE ARG D 5 22.874 0.556 0.307 1.00 0.00 N ATOM 898 CZ ARG D 5 23.572 1.029 -0.689 1.00 0.00 C ATOM 899 NH1 ARG D 5 24.875 1.029 -0.629 1.00 0.00 N ATOM 900 NH2 ARG D 5 22.968 1.498 -1.746 1.00 0.00 N ATOM 0 H ARG D 5 20.498 -4.143 0.075 1.00 0.00 H new ATOM 0 HA ARG D 5 18.200 -2.220 -0.136 1.00 0.00 H new ATOM 0 HB2 ARG D 5 19.722 -0.851 0.924 1.00 0.00 H new ATOM 0 HB3 ARG D 5 20.646 -2.310 1.223 1.00 0.00 H new ATOM 0 HG2 ARG D 5 21.590 -1.851 -1.246 1.00 0.00 H new ATOM 0 HG3 ARG D 5 21.061 -0.211 -0.925 1.00 0.00 H new ATOM 0 HD2 ARG D 5 22.447 -1.211 1.438 1.00 0.00 H new ATOM 0 HD3 ARG D 5 23.460 -1.485 0.034 1.00 0.00 H new ATOM 0 HE ARG D 5 22.507 1.188 1.019 1.00 0.00 H new ATOM 0 HH11 ARG D 5 25.348 0.659 0.196 1.00 0.00 H new ATOM 0 HH12 ARG D 5 25.421 1.398 -1.407 1.00 0.00 H new ATOM 0 HH21 ARG D 5 21.949 1.495 -1.794 1.00 0.00 H new ATOM 0 HH22 ARG D 5 23.515 1.867 -2.524 1.00 0.00 H new ATOM 914 N PHE D 6 20.016 -3.082 -2.608 1.00 0.00 N ATOM 915 CA PHE D 6 20.192 -2.860 -4.065 1.00 0.00 C ATOM 916 C PHE D 6 19.198 -3.714 -4.855 1.00 0.00 C ATOM 917 O PHE D 6 18.477 -3.220 -5.699 1.00 0.00 O ATOM 918 CB PHE D 6 21.632 -3.267 -4.341 1.00 0.00 C ATOM 919 CG PHE D 6 21.816 -3.607 -5.782 1.00 0.00 C ATOM 920 CD1 PHE D 6 22.174 -2.610 -6.682 1.00 0.00 C ATOM 921 CD2 PHE D 6 21.641 -4.918 -6.210 1.00 0.00 C ATOM 922 CE1 PHE D 6 22.360 -2.923 -8.026 1.00 0.00 C ATOM 923 CE2 PHE D 6 21.825 -5.239 -7.551 1.00 0.00 C ATOM 924 CZ PHE D 6 22.186 -4.241 -8.467 1.00 0.00 C ATOM 0 H PHE D 6 20.434 -3.938 -2.244 1.00 0.00 H new ATOM 0 HA PHE D 6 20.004 -1.829 -4.365 1.00 0.00 H new ATOM 0 HB2 PHE D 6 22.304 -2.455 -4.065 1.00 0.00 H new ATOM 0 HB3 PHE D 6 21.898 -4.125 -3.723 1.00 0.00 H new ATOM 0 HD1 PHE D 6 22.308 -1.595 -6.339 1.00 0.00 H new ATOM 0 HD2 PHE D 6 21.363 -5.686 -5.503 1.00 0.00 H new ATOM 0 HE1 PHE D 6 22.638 -2.150 -8.728 1.00 0.00 H new ATOM 0 HE2 PHE D 6 21.690 -6.257 -7.886 1.00 0.00 H new ATOM 0 HZ PHE D 6 22.329 -4.487 -9.509 1.00 0.00 H new ATOM 934 N PHE D 7 19.146 -4.989 -4.587 1.00 0.00 N ATOM 935 CA PHE D 7 18.197 -5.856 -5.324 1.00 0.00 C ATOM 936 C PHE D 7 16.753 -5.517 -4.921 1.00 0.00 C ATOM 937 O PHE D 7 15.819 -5.772 -5.656 1.00 0.00 O ATOM 938 CB PHE D 7 18.592 -7.296 -4.942 1.00 0.00 C ATOM 939 CG PHE D 7 17.649 -7.869 -3.904 1.00 0.00 C ATOM 940 CD1 PHE D 7 16.347 -8.229 -4.267 1.00 0.00 C ATOM 941 CD2 PHE D 7 18.082 -8.045 -2.585 1.00 0.00 C ATOM 942 CE1 PHE D 7 15.476 -8.766 -3.311 1.00 0.00 C ATOM 943 CE2 PHE D 7 17.212 -8.580 -1.629 1.00 0.00 C ATOM 944 CZ PHE D 7 15.909 -8.941 -1.991 1.00 0.00 C ATOM 0 H PHE D 7 19.720 -5.464 -3.890 1.00 0.00 H new ATOM 0 HA PHE D 7 18.243 -5.718 -6.404 1.00 0.00 H new ATOM 0 HB2 PHE D 7 18.583 -7.926 -5.832 1.00 0.00 H new ATOM 0 HB3 PHE D 7 19.611 -7.305 -4.555 1.00 0.00 H new ATOM 0 HD1 PHE D 7 16.013 -8.093 -5.285 1.00 0.00 H new ATOM 0 HD2 PHE D 7 19.088 -7.768 -2.305 1.00 0.00 H new ATOM 0 HE1 PHE D 7 14.471 -9.045 -3.592 1.00 0.00 H new ATOM 0 HE2 PHE D 7 17.546 -8.715 -0.611 1.00 0.00 H new ATOM 0 HZ PHE D 7 15.238 -9.354 -1.253 1.00 0.00 H new ATOM 954 N LYS D 8 16.565 -4.939 -3.762 1.00 0.00 N ATOM 955 CA LYS D 8 15.190 -4.585 -3.325 1.00 0.00 C ATOM 956 C LYS D 8 14.503 -3.723 -4.383 1.00 0.00 C ATOM 957 O LYS D 8 13.392 -3.994 -4.794 1.00 0.00 O ATOM 958 CB LYS D 8 15.372 -3.800 -2.037 1.00 0.00 C ATOM 959 CG LYS D 8 14.903 -4.638 -0.848 1.00 0.00 C ATOM 960 CD LYS D 8 13.419 -4.953 -1.007 1.00 0.00 C ATOM 961 CE LYS D 8 13.167 -6.417 -0.640 1.00 0.00 C ATOM 962 NZ LYS D 8 11.860 -6.416 0.075 1.00 0.00 N ATOM 0 H LYS D 8 17.306 -4.699 -3.103 1.00 0.00 H new ATOM 0 HA LYS D 8 14.566 -5.467 -3.180 1.00 0.00 H new ATOM 0 HB2 LYS D 8 16.420 -3.528 -1.911 1.00 0.00 H new ATOM 0 HB3 LYS D 8 14.805 -2.870 -2.084 1.00 0.00 H new ATOM 0 HG2 LYS D 8 15.478 -5.562 -0.790 1.00 0.00 H new ATOM 0 HG3 LYS D 8 15.074 -4.097 0.083 1.00 0.00 H new ATOM 0 HD2 LYS D 8 12.827 -4.299 -0.367 1.00 0.00 H new ATOM 0 HD3 LYS D 8 13.104 -4.765 -2.033 1.00 0.00 H new ATOM 0 HE2 LYS D 8 13.130 -7.046 -1.529 1.00 0.00 H new ATOM 0 HE3 LYS D 8 13.963 -6.808 -0.006 1.00 0.00 H new ATOM 0 HZ1 LYS D 8 11.619 -7.387 0.359 1.00 0.00 H new ATOM 0 HZ2 LYS D 8 11.927 -5.815 0.921 1.00 0.00 H new ATOM 0 HZ3 LYS D 8 11.120 -6.046 -0.555 1.00 0.00 H new ATOM 976 N ALA D 9 15.157 -2.686 -4.831 1.00 0.00 N ATOM 977 CA ALA D 9 14.543 -1.815 -5.862 1.00 0.00 C ATOM 978 C ALA D 9 14.482 -2.570 -7.186 1.00 0.00 C ATOM 979 O ALA D 9 13.685 -2.272 -8.054 1.00 0.00 O ATOM 980 CB ALA D 9 15.470 -0.605 -5.966 1.00 0.00 C ATOM 0 H ALA D 9 16.089 -2.408 -4.525 1.00 0.00 H new ATOM 0 HA ALA D 9 13.526 -1.514 -5.612 1.00 0.00 H new ATOM 0 HB1 ALA D 9 15.081 0.088 -6.712 1.00 0.00 H new ATOM 0 HB2 ALA D 9 15.525 -0.104 -4.999 1.00 0.00 H new ATOM 0 HB3 ALA D 9 16.466 -0.934 -6.261 1.00 0.00 H new ATOM 986 N LYS D 10 15.323 -3.553 -7.338 1.00 0.00 N ATOM 987 CA LYS D 10 15.337 -4.345 -8.584 1.00 0.00 C ATOM 988 C LYS D 10 14.119 -5.269 -8.640 1.00 0.00 C ATOM 989 O LYS D 10 13.257 -5.124 -9.483 1.00 0.00 O ATOM 990 CB LYS D 10 16.622 -5.148 -8.499 1.00 0.00 C ATOM 991 CG LYS D 10 17.203 -5.335 -9.897 1.00 0.00 C ATOM 992 CD LYS D 10 18.014 -4.098 -10.282 1.00 0.00 C ATOM 993 CE LYS D 10 18.505 -4.238 -11.724 1.00 0.00 C ATOM 994 NZ LYS D 10 19.056 -5.619 -11.807 1.00 0.00 N ATOM 0 H LYS D 10 16.008 -3.840 -6.639 1.00 0.00 H new ATOM 0 HA LYS D 10 15.294 -3.726 -9.480 1.00 0.00 H new ATOM 0 HB2 LYS D 10 17.342 -4.635 -7.861 1.00 0.00 H new ATOM 0 HB3 LYS D 10 16.427 -6.118 -8.043 1.00 0.00 H new ATOM 0 HG2 LYS D 10 17.837 -6.221 -9.923 1.00 0.00 H new ATOM 0 HG3 LYS D 10 16.401 -5.496 -10.617 1.00 0.00 H new ATOM 0 HD2 LYS D 10 17.401 -3.202 -10.181 1.00 0.00 H new ATOM 0 HD3 LYS D 10 18.862 -3.982 -9.607 1.00 0.00 H new ATOM 0 HE2 LYS D 10 17.691 -4.094 -12.435 1.00 0.00 H new ATOM 0 HE3 LYS D 10 19.267 -3.494 -11.956 1.00 0.00 H new ATOM 0 HZ1 LYS D 10 19.715 -5.682 -12.609 1.00 0.00 H new ATOM 0 HZ2 LYS D 10 19.561 -5.845 -10.926 1.00 0.00 H new ATOM 0 HZ3 LYS D 10 18.278 -6.296 -11.943 1.00 0.00 H new ATOM 1008 N LYS D 11 14.039 -6.219 -7.748 1.00 0.00 N ATOM 1009 CA LYS D 11 12.875 -7.144 -7.759 1.00 0.00 C ATOM 1010 C LYS D 11 11.582 -6.348 -7.951 1.00 0.00 C ATOM 1011 O LYS D 11 10.614 -6.834 -8.502 1.00 0.00 O ATOM 1012 CB LYS D 11 12.893 -7.825 -6.391 1.00 0.00 C ATOM 1013 CG LYS D 11 13.500 -9.222 -6.524 1.00 0.00 C ATOM 1014 CD LYS D 11 12.608 -10.084 -7.420 1.00 0.00 C ATOM 1015 CE LYS D 11 13.480 -11.023 -8.256 1.00 0.00 C ATOM 1016 NZ LYS D 11 12.695 -11.275 -9.497 1.00 0.00 N ATOM 0 H LYS D 11 14.728 -6.392 -7.016 1.00 0.00 H new ATOM 0 HA LYS D 11 12.927 -7.871 -8.570 1.00 0.00 H new ATOM 0 HB2 LYS D 11 13.473 -7.231 -5.685 1.00 0.00 H new ATOM 0 HB3 LYS D 11 11.880 -7.893 -5.994 1.00 0.00 H new ATOM 0 HG2 LYS D 11 14.502 -9.156 -6.947 1.00 0.00 H new ATOM 0 HG3 LYS D 11 13.599 -9.682 -5.541 1.00 0.00 H new ATOM 0 HD2 LYS D 11 11.913 -10.662 -6.811 1.00 0.00 H new ATOM 0 HD3 LYS D 11 12.009 -9.450 -8.073 1.00 0.00 H new ATOM 0 HE2 LYS D 11 14.444 -10.568 -8.484 1.00 0.00 H new ATOM 0 HE3 LYS D 11 13.684 -11.951 -7.723 1.00 0.00 H new ATOM 0 HZ1 LYS D 11 13.229 -11.912 -10.122 1.00 0.00 H new ATOM 0 HZ2 LYS D 11 11.786 -11.715 -9.249 1.00 0.00 H new ATOM 0 HZ3 LYS D 11 12.522 -10.374 -9.987 1.00 0.00 H new ATOM 1030 N LEU D 12 11.561 -5.126 -7.493 1.00 0.00 N ATOM 1031 CA LEU D 12 10.342 -4.293 -7.637 1.00 0.00 C ATOM 1032 C LEU D 12 10.116 -3.912 -9.103 1.00 0.00 C ATOM 1033 O LEU D 12 9.094 -3.359 -9.456 1.00 0.00 O ATOM 1034 CB LEU D 12 10.619 -3.047 -6.797 1.00 0.00 C ATOM 1035 CG LEU D 12 10.372 -3.367 -5.324 1.00 0.00 C ATOM 1036 CD1 LEU D 12 10.796 -2.178 -4.465 1.00 0.00 C ATOM 1037 CD2 LEU D 12 8.883 -3.647 -5.107 1.00 0.00 C ATOM 0 H LEU D 12 12.343 -4.670 -7.023 1.00 0.00 H new ATOM 0 HA LEU D 12 9.445 -4.820 -7.312 1.00 0.00 H new ATOM 0 HB2 LEU D 12 11.648 -2.718 -6.942 1.00 0.00 H new ATOM 0 HB3 LEU D 12 9.974 -2.228 -7.116 1.00 0.00 H new ATOM 0 HG LEU D 12 10.953 -4.244 -5.041 1.00 0.00 H new ATOM 0 HD11 LEU D 12 10.619 -2.407 -3.414 1.00 0.00 H new ATOM 0 HD12 LEU D 12 11.856 -1.977 -4.619 1.00 0.00 H new ATOM 0 HD13 LEU D 12 10.215 -1.300 -4.747 1.00 0.00 H new ATOM 0 HD21 LEU D 12 8.705 -3.876 -4.056 1.00 0.00 H new ATOM 0 HD22 LEU D 12 8.303 -2.769 -5.391 1.00 0.00 H new ATOM 0 HD23 LEU D 12 8.579 -4.496 -5.719 1.00 0.00 H new ATOM 1049 N ILE D 13 11.060 -4.197 -9.959 1.00 0.00 N ATOM 1050 CA ILE D 13 10.884 -3.840 -11.398 1.00 0.00 C ATOM 1051 C ILE D 13 11.609 -4.826 -12.297 1.00 0.00 C ATOM 1052 O ILE D 13 12.328 -4.456 -13.204 1.00 0.00 O ATOM 1053 CB ILE D 13 11.473 -2.439 -11.565 1.00 0.00 C ATOM 1054 CG1 ILE D 13 12.757 -2.290 -10.744 1.00 0.00 C ATOM 1055 CG2 ILE D 13 10.456 -1.396 -11.104 1.00 0.00 C ATOM 1056 CD1 ILE D 13 13.969 -2.399 -11.671 1.00 0.00 C ATOM 0 H ILE D 13 11.940 -4.658 -9.728 1.00 0.00 H new ATOM 0 HA ILE D 13 9.831 -3.870 -11.680 1.00 0.00 H new ATOM 0 HB ILE D 13 11.709 -2.287 -12.618 1.00 0.00 H new ATOM 0 HG12 ILE D 13 12.764 -1.329 -10.230 1.00 0.00 H new ATOM 0 HG13 ILE D 13 12.802 -3.062 -9.976 1.00 0.00 H new ATOM 0 HG21 ILE D 13 10.878 -0.398 -11.224 1.00 0.00 H new ATOM 0 HG22 ILE D 13 9.550 -1.481 -11.704 1.00 0.00 H new ATOM 0 HG23 ILE D 13 10.213 -1.563 -10.055 1.00 0.00 H new ATOM 0 HD11 ILE D 13 14.884 -2.293 -11.088 1.00 0.00 H new ATOM 0 HD12 ILE D 13 13.964 -3.371 -12.164 1.00 0.00 H new ATOM 0 HD13 ILE D 13 13.924 -1.611 -12.422 1.00 0.00 H new ATOM 1068 N GLU D 14 11.432 -6.077 -12.038 1.00 0.00 N ATOM 1069 CA GLU D 14 12.103 -7.110 -12.840 1.00 0.00 C ATOM 1070 C GLU D 14 11.100 -8.170 -13.307 1.00 0.00 C ATOM 1071 O GLU D 14 10.068 -8.305 -12.670 1.00 0.00 O ATOM 1072 CB GLU D 14 13.102 -7.690 -11.862 1.00 0.00 C ATOM 1073 CG GLU D 14 14.099 -6.600 -11.479 1.00 0.00 C ATOM 1074 CD GLU D 14 15.346 -6.708 -12.359 1.00 0.00 C ATOM 1075 OE1 GLU D 14 16.200 -7.520 -12.044 1.00 0.00 O ATOM 1076 OE2 GLU D 14 15.426 -5.975 -13.332 1.00 0.00 O ATOM 1077 OXT GLU D 14 11.380 -8.829 -14.295 1.00 0.00 O ATOM 0 H GLU D 14 10.838 -6.433 -11.289 1.00 0.00 H new ATOM 0 HA GLU D 14 12.566 -6.728 -13.750 1.00 0.00 H new ATOM 0 HB2 GLU D 14 12.590 -8.063 -10.975 1.00 0.00 H new ATOM 0 HB3 GLU D 14 13.621 -8.537 -12.310 1.00 0.00 H new ATOM 0 HG2 GLU D 14 13.642 -5.618 -11.599 1.00 0.00 H new ATOM 0 HG3 GLU D 14 14.374 -6.698 -10.429 1.00 0.00 H new